A0A087XZB1_POEFO Loading...

ArfGAP with SH3 domain, ankyrin repeat and PH domain 2a

AlphaFold DB , UniProt , Accession A0A087XZB1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 982 aa.

						>A0A087XZB1_POEFO|A0A087XZB1
MPDQITVSEFVTETNEDYKSPTASIFTTRMSHCRNTVAALEEALDVDRSVLYKMKKSVKAIYTSGLAHVENEEQYTQALEKFGENCVCHDDPDLGSAFLKFSVFTKELTALFKNLFQNMNNIITFPLDSLLKGDLKGVKGDLKKPFDKAWKDYETKVTKIEKEKKEHARQHGMIRTEISGAEIAEEMEKERRFFQLQMCEYLLKVNEIKIKKGVDLLQNLIKYFHAQCNFFQDGLKAVENLKPSIEKLATDLHTIKQAQDEERKQLTQLRDVLKTALQVEQKEDSQVRQSATYSLHQPQGNKEHGTERSGFLFKKSDGLRKVWQKRKCMAKNGYLTISHGTANRPPAKLNLLTCQVKHNPEEKRSFDLISHDRTYHFQAEDEQDCQIWISVLQNSKEEALNQAFKGDHHVGENNIVQELTKAILGEVKRMTGNDVCCDCGAPNPTWLSTNLGVLTCIECSGIHRELGVHYSRIQSLTLDVLSTSELLLAKNVGNAGFNEIMEACLNAENVVKPNPASDMQTRKDFITSKYIEKRFARKRGADAAARLHTLCEAVKARDIFSLIQVYAEGLDLMEPIPLANGHEQGETALHLAVRLVDRTSLHIVDFLTQNSLNLDKQTAKGSTALHYCCLTDNSECLKLLLRGKASIDIANEAGETPLDIARRLKHAQCEELLNQALAGKFNAHVHVEYEWRLKHEDLDESDEDLDEKPSPHRRDDRPVSCYAPSSNSHLQSGLGPAGRDGAGLSKDKHRLFMPSLVNNETYGTILNTGSSQSASTSAPPLPPRNLAQFSSVGGIGQSATSSTWKPGSLDLVGRQRSSSDPPNMHPPVPPMRLTSTGGLGPAPVAKMEAMSIQSKSGQGPLGTRSVPPKSPAGNDKSFSRGFLNQSESVERAAKEVPGCPQNSVPPAPASRKAFPFPQKQRPKRVKAIYNCIADNPDELTFSEGEVIVVDGEEDQEWWLGHIEGDPMRRGAFPVTFVLFITD
					

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(Predicted Aligned Error values between residue pairs)

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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	45.2	Very low	84.6	Confident	214 Å²	214	83.2 Å²	83.2	100%	1.054	46%	0.462	S	S	*	.				0	152.5	0	-61	-50.8	-168.9	0	0	107.8
2	P	55.7	Low	85.4	Confident	74 Å²	74	81.9 Å²	81.9	48%	0.481	46%	0.458	S	S	.	.			trans	-62.3	144.1	157.1	30.4	-33.9	0	0	0	108.6	Q4 N35	P2-Q4 PolarHBondContact O-N 3.02Å; P2-N35 HydrophobicContact CB-CB 4.47Å
3	D	81.6	Confident	86	Confident	109 Å²	109	76.8 Å²	76.8	58%	0.583	43%	0.428	S	S	*	.			trans	-65.9	119.4	-179.4	-54.4	-55.3	0	0	0	109.6	H32 N35	D3-H32 WeakPolarHBondContact O-CA 3.43Å; D3-N35 VanDerWaalsContact O-CB 3.26Å; D3-N35 WeakPolarHBondContact O-CB 3.26Å; D3-N35 PolarHBondContact O-ND2 3.28Å
4	Q	90.3	Very high	86.5	Confident	96 Å²	96	73 Å²	73	45%	0.449	41%	0.408	S	S	.	.			trans	-114.1	151.5	179.1	-71.7	179.7	25.2	0	0	109	P2 N35 T36	P2-Q4 PolarHBondContact O-N 3.02Å; Q4-N35 HydrophobicContact CG-CB 4.19Å; Q4-T36 WeakPolarHBondContact CB-OG1 3.5Å
5	I	92.8	Very high	87	Confident	7 Å²	7	73.1 Å²	73.1	4%	0.036	41%	0.407	C	S	.	.			trans	-105.8	134	173.8	-164.3	170.1	0	0	0	110	E9 F10 E13 H32 C33 T36 M198	I5-E9 HydrophobicContact CD1-CB 4.18Å; I5-E9 HydrophobicContact CG1-CB 3.59Å; I5-F10 HydrophobicContact CD1-CB 3.93Å; I5-F10 HydrophobicContact CG1-CB 4.15Å; I5-F10 HydrophobicContact CG2-CB 4.48Å; I5-E13 VanDerWaalsContact CD1-OE2 3.23Å; I5-E13 WeakPolarHBondContact CD1-OE2 3.36Å; I5-H32 HydrophobicContact CB-CB 3.99Å; I5-H32 HydrophobicContact CG2-CB 4.39Å; I5-C33 HydrophobicContact CG2-CB 4.35Å; I5-T36 PolarHBondContact N-OG1 3.1Å; I5-T36 PolarHBondContact O-OG1 3.48Å; I5-M198 HydrophobicContact CG2-CE 4.42Å
6	T	93.3	Very high	87.3	Confident	78 Å²	78	75.2 Å²	75.2	48%	0.479	41%	0.413	S	S	.	.			trans	-79.1	165.4	171.6	66.9	0	0	0	0	111.4	S8 E9 F10	T6-S8 PolarHBondContact O-N 3.33Å; T6-E9 WeakPolarHBondContact CB-OE2 3.46Å; T6-E9 VanDerWaalsContact CG2-OE2 3.24Å; T6-E9 WeakPolarHBondContact CG2-OE2 3.44Å; T6-E9 PolarHBondContact N-OE2 3.25Å; T6-E9 PolarHBondContact O-N 3.41Å; T6-E9 WeakPolarHBondContact OG1-CG 3.33Å; T6-E9 PolarHBondContact OG1-N 3.27Å; T6-E9 PolarHBondContact OG1-OE2 2.92Å; T6-F10 WeakPolarHBondContact O-CB 3.43Å; T6-F10 PolarHBondContact O-N 2.94Å
7	V	93.9	Very high	87.6	Confident	88 Å²	88	71.1 Å²	71.1	53%	0.533	39%	0.391	S	S	.	.	H	α-helix	trans	-60	-35.7	175.1	-176.2	0	0	0	0	111.6	V11 L202	V7-V11 HydrophobicContact CG1-CG2 4.36Å; V7-V11 WeakPolarHBondContact O-CB 3.24Å; V7-V11 VanDerWaalsContact O-CG2 3.23Å; V7-V11 WeakPolarHBondContact O-CG2 3.26Å; V7-V11 PolarHBondContact O-N 2.84Å; V7-L202 HydrophobicContact CG2-CD1 4.41Å; V7-L202 HydrophobicContact CG2-CD2 4.27Å
8	S	93.9	Very high	87.7	Confident	88 Å²	88	75.4 Å²	75.4	62%	0.615	40%	0.401	S	S	*	.	H	α-helix	trans	-70.4	-42.4	-179.5	-163.3	0	0	0	0	112.2	T6 T12	T6-S8 PolarHBondContact O-N 3.33Å; S8-T12 WeakPolarHBondContact O-CB 3.42Å; S8-T12 PolarHBondContact O-N 2.75Å; S8-T12 PolarHBondContact O-OG1 3.48Å
9	E	93.5	Very high	87.9	Confident	80 Å²	80	79.8 Å²	79.8	37%	0.374	42%	0.417	S	S	.	.	H	α-helix	trans	-66.4	-46.8	175	-68.3	158.4	131.9	0	0	110.5	I5 T6 V11 T12 E13	I5-E9 HydrophobicContact CD1-CB 4.18Å; I5-E9 HydrophobicContact CG1-CB 3.59Å; T6-E9 WeakPolarHBondContact CB-OE2 3.46Å; T6-E9 VanDerWaalsContact CG2-OE2 3.24Å; T6-E9 WeakPolarHBondContact CG2-OE2 3.44Å; T6-E9 PolarHBondContact N-OE2 3.25Å; T6-E9 PolarHBondContact O-N 3.41Å; T6-E9 WeakPolarHBondContact OG1-CG 3.33Å; T6-E9 PolarHBondContact OG1-N 3.27Å; T6-E9 PolarHBondContact OG1-OE2 2.92Å; E9-V11 VanDerWaalsContact C-N 3.34Å; E9-V11 PolarHBondContact O-N 3.07Å; E9-T12 PolarHBondContact O-N 2.77Å; E9-E13 WeakPolarHBondContact O-CG 3.43Å; E9-E13 PolarHBondContact O-N 3.29Å
10	F	95.3	Very high	87.9	Confident	8 Å²	8	78.4 Å²	78.4	4%	0.035	41%	0.414	C	S	.	.	H	α-helix	trans	-57.6	-44.3	177.5	172.7	-103.3	0	0	0	112.3	I5 T6 T12 T14 F26 M198 C199 L202	I5-F10 HydrophobicContact CD1-CB 3.93Å; I5-F10 HydrophobicContact CG1-CB 4.15Å; I5-F10 HydrophobicContact CG2-CB 4.48Å; T6-F10 WeakPolarHBondContact O-CB 3.43Å; T6-F10 PolarHBondContact O-N 2.94Å; F10-T12 VanDerWaalsContact C-N 3.33Å; F10-T14 VanDerWaalsContact CE2-OG1 3.32Å; F10-T14 WeakPolarHBondContact CE2-OG1 3.31Å; F10-T14 WeakPolarHBondContact O-CB 3.28Å; F10-T14 PolarHBondContact O-N 2.92Å; F10-T14 PolarHBondContact O-OG1 3.45Å; F10-F26 HydrophobicContact CD2-CE2 4.2Å; F10-F26 HydrophobicContact CE2-CE2 4.01Å; F10-F26 HydrophobicContact CE2-CZ 4.17Å; F10-M198 HydrophobicContact CD2-CG 3.96Å; F10-M198 HydrophobicContact CE1-CG 4.14Å; F10-M198 HydrophobicContact CE2-CB 3.86Å; F10-M198 HydrophobicContact CE2-CG 3.44Å; F10-M198 VanDerWaalsContact CE2-CG 3.44Å; F10-M198 HydrophobicContact CZ-CB 3.7Å; F10-M198 HydrophobicContact CZ-CG 3.55Å; F10-C199 HydrophobicContact CE1-CB 4.37Å; F10-L202 HydrophobicContact CD1-CD1 3.59Å; F10-L202 HydrophobicContact CE1-CD1 4.01Å; F10-L202 HydrophobicContact CG-CD1 4.15Å
11	V	95.4	Very high	87.7	Confident	73 Å²	73	76.7 Å²	76.7	44%	0.442	41%	0.407	S	S	.	.	H	α-helix	trans	-64.9	-37.4	175.6	167.5	0	0	0	0	111.5	V7 E9 N15	V7-V11 HydrophobicContact CG1-CG2 4.36Å; V7-V11 WeakPolarHBondContact O-CB 3.24Å; V7-V11 VanDerWaalsContact O-CG2 3.23Å; V7-V11 WeakPolarHBondContact O-CG2 3.26Å; V7-V11 PolarHBondContact O-N 2.84Å; E9-V11 VanDerWaalsContact C-N 3.34Å; E9-V11 PolarHBondContact O-N 3.07Å; V11-N15 WeakPolarHBondContact O-CB 3.35Å; V11-N15 PolarHBondContact O-N 3.02Å; V11-N15 VanDerWaalsContact O-N 3.13Å; V11-N15 PolarHBondContact O-ND2 3.02Å
12	T	93.9	Very high	89.6	Confident	68 Å²	68	70.8 Å²	70.8	42%	0.417	38%	0.384	S	S	.	.	H	α-helix	trans	-69.1	-56.5	179	-54.3	0	0	0	0	111	S8 E9 F10 T14 N15 E16	S8-T12 WeakPolarHBondContact O-CB 3.42Å; S8-T12 PolarHBondContact O-N 2.75Å; S8-T12 PolarHBondContact O-OG1 3.48Å; E9-T12 PolarHBondContact O-N 2.77Å; F10-T12 VanDerWaalsContact C-N 3.33Å; T12-T14 VanDerWaalsContact C-N 3.31Å; T12-T14 PolarHBondContact O-N 3.34Å; T12-N15 WeakPolarHBondContact O-CB 3.14Å; T12-N15 PolarHBondContact O-N 2.97Å; T12-E16 PolarHBondContact O-N 2.71Å
13	E	92.6	Very high	90.9	Very high	15 Å²	15	71 Å²	71	7%	0.07	39%	0.392	C	S	.	.	H	α-helix	trans	-64.8	-33.2	-177.5	-64.4	-179.8	167.1	0	0	112	I5 E9 E16 D17 F26 R29	I5-E13 VanDerWaalsContact CD1-OE2 3.23Å; I5-E13 WeakPolarHBondContact CD1-OE2 3.36Å; E9-E13 WeakPolarHBondContact O-CG 3.43Å; E9-E13 PolarHBondContact O-N 3.29Å; E13-E16 PolarHBondContact O-N 3.39Å; E13-D17 WeakPolarHBondContact O-CB 3.38Å; E13-D17 PolarHBondContact O-N 2.74Å; E13-F26 HydrophobicContact CB-CD2 4.18Å; E13-R29 IonicContact OE1-CZ 2.66Å; E13-R29 IonicContact OE1-NE 2.63Å; E13-R29 PolarHBondContact OE1-NE 2.95Å; E13-R29 IonicContact OE1-NH2 2.64Å; E13-R29 PolarHBondContact OE1-NH2 2.86Å; E13-R29 VanDerWaalsContact OE2-CB 3.31Å; E13-R29 WeakPolarHBondContact OE2-CB 3.42Å; E13-R29 WeakPolarHBondContact OE2-CG 3.35Å; E13-R29 IonicContact OE2-NE 2.75Å; E13-R29 PolarHBondContact OE2-NE 3.33Å
14	T	94	Very high	91.1	Very high	24 Å²	24	67 Å²	67	15%	0.147	37%	0.372	C	S	.	.	H	α-helix	trans	-69.2	-36.3	172.3	-58.2	0	0	0	0	112	F10 T12 E16 Y18 F26 Q195	F10-T14 VanDerWaalsContact CE2-OG1 3.32Å; F10-T14 WeakPolarHBondContact CE2-OG1 3.31Å; F10-T14 WeakPolarHBondContact O-CB 3.28Å; F10-T14 PolarHBondContact O-N 2.92Å; F10-T14 PolarHBondContact O-OG1 3.45Å; T12-T14 VanDerWaalsContact C-N 3.31Å; T12-T14 PolarHBondContact O-N 3.34Å; T14-E16 VanDerWaalsContact C-N 3.34Å; T14-Y18 VanDerWaalsContact O-CB 3.24Å; T14-Y18 WeakPolarHBondContact O-CB 3.32Å; T14-Y18 PolarHBondContact O-N 2.74Å; T14-F26 WeakPolarHBondContact OG1-CE2 3.47Å; T14-Q195 HydrophobicContact CG2-CB 4.04Å; T14-Q195 HydrophobicContact CG2-CG 3.88Å
15	N	93.4	Very high	90.8	Very high	74 Å²	74	67.1 Å²	67.1	40%	0.396	38%	0.375	S	S	.	.	H	α-helix	trans	-69.9	-31.4	174.6	-92.4	-82.8	0	0	0	112.4	V11 T12 K19	V11-N15 WeakPolarHBondContact O-CB 3.35Å; V11-N15 PolarHBondContact O-N 3.02Å; V11-N15 VanDerWaalsContact O-N 3.13Å; V11-N15 PolarHBondContact O-ND2 3.02Å; T12-N15 WeakPolarHBondContact O-CB 3.14Å; T12-N15 PolarHBondContact O-N 2.97Å; N15-K19 WeakPolarHBondContact O-CB 3.3Å; N15-K19 VanDerWaalsContact O-CD 3.28Å; N15-K19 WeakPolarHBondContact O-CD 3.36Å; N15-K19 WeakPolarHBondContact O-CG 3.5Å; N15-K19 PolarHBondContact O-N 3.47Å
16	E	92.4	Very high	90.6	Very high	107 Å²	107	66.9 Å²	66.9	50%	0.5	37%	0.373	S	S	.	.	H	α-helix	trans	-71.9	-45.8	173.5	-70.1	177	171.3	0	0	111.1	T12 E13 T14 Y18 K19 S20	T12-E16 PolarHBondContact O-N 2.71Å; E13-E16 PolarHBondContact O-N 3.39Å; T14-E16 VanDerWaalsContact C-N 3.34Å; E16-Y18 VanDerWaalsContact C-N 3.33Å; E16-Y18 PolarHBondContact O-N 3.22Å; E16-K19 PolarHBondContact O-N 3.47Å; E16-K19 VanDerWaalsContact O-N 3.15Å; E16-S20 PolarHBondContact O-N 3.16Å
17	D	91.4	Very high	90.2	Very high	6 Å²	6	66 Å²	66	3%	0.032	37%	0.368	C	S	.	.	H	α-helix	trans	-58.2	-43.5	173.5	-165.1	79.6	0	0	0	112.4	E13 K19 P21 S24 F26 R191 Q195	E13-D17 WeakPolarHBondContact O-CB 3.38Å; E13-D17 PolarHBondContact O-N 2.74Å; D17-K19 VanDerWaalsContact C-N 3.28Å; D17-K19 PolarHBondContact O-N 2.87Å; D17-P21 WeakPolarHBondContact O-CA 3.27Å; D17-P21 WeakPolarHBondContact O-CD 3.43Å; D17-P21 VanDerWaalsContact O-CG 3.27Å; D17-P21 WeakPolarHBondContact O-CG 3.41Å; D17-S24 WeakPolarHBondContact CB-OG 3.31Å; D17-S24 WeakPolarHBondContact OD1-CB 3.48Å; D17-S24 PolarHBondContact OD1-OG 3.23Å; D17-F26 HydrophobicContact CB-CB 3.87Å; D17-F26 HydrophobicContact CB-CG 4.21Å; D17-R191 IonicContact OD1-NE 3.67Å; D17-R191 PolarHBondContact OD1-NE 2.93Å; D17-R191 WeakPolarHBondContact OD2-CD 3.33Å; D17-R191 IonicContact OD2-NE 2.72Å; D17-R191 PolarHBondContact OD2-NE 3.07Å; D17-Q195 PolarHBondContact OD2-NE2 2.88Å
18	Y	89.9	Confident	89.8	Confident	148 Å²	148	65.7 Å²	65.7	58%	0.58	37%	0.367	S	S	*	.	H	α-helix	trans	-64.1	-31.8	178.3	-172.6	-90.3	0	0	0	113	T14 E16	T14-Y18 VanDerWaalsContact O-CB 3.24Å; T14-Y18 WeakPolarHBondContact O-CB 3.32Å; T14-Y18 PolarHBondContact O-N 2.74Å; E16-Y18 VanDerWaalsContact C-N 3.33Å; E16-Y18 PolarHBondContact O-N 3.22Å
19	K	90.9	Very high	89.6	Confident	159 Å²	159	64.9 Å²	64.9	69%	0.691	35%	0.35	S	S	*	.	H	α-helix	trans	-88.3	-31.9	-179.7	-70.7	168.5	-168.7	170	0	113.5	N15 E16 D17	N15-K19 WeakPolarHBondContact O-CB 3.3Å; N15-K19 VanDerWaalsContact O-CD 3.28Å; N15-K19 WeakPolarHBondContact O-CD 3.36Å; N15-K19 WeakPolarHBondContact O-CG 3.5Å; N15-K19 PolarHBondContact O-N 3.47Å; E16-K19 PolarHBondContact O-N 3.47Å; E16-K19 VanDerWaalsContact O-N 3.15Å; D17-K19 VanDerWaalsContact C-N 3.28Å; D17-K19 PolarHBondContact O-N 2.87Å
20	S	89.1	Confident	89.4	Confident	52 Å²	52	61.2 Å²	61.2	36%	0.364	33%	0.333	S	S	.	.			trans	-147.8	75.1	-177.2	-160.1	0	0	0	0	112.1	E16 T22 A23 S24	E16-S20 PolarHBondContact O-N 3.16Å; S20-T22 PolarHBondContact O-N 2.93Å; S20-T22 VanDerWaalsContact O-N 3.07Å; S20-A23 PolarHBondContact O-N 3.39Å; S20-A23 VanDerWaalsContact O-N 3.13Å; S20-S24 WeakPolarHBondContact O-CB 3.25Å; S20-S24 PolarHBondContact O-N 3.44Å; S20-S24 VanDerWaalsContact O-N 3.14Å
21	P	84.2	Confident	89.1	Confident	42 Å²	42	63.1 Å²	63.1	27%	0.273	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.9	-173.4	-22.2	30.2	0	0	0	115	D17	D17-P21 WeakPolarHBondContact O-CA 3.27Å; D17-P21 WeakPolarHBondContact O-CD 3.43Å; D17-P21 VanDerWaalsContact O-CG 3.27Å; D17-P21 WeakPolarHBondContact O-CG 3.41Å
22	T	84.3	Confident	89	Confident	91 Å²	91	61.4 Å²	61.4	56%	0.558	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-16	-178.6	46.7	0	0	0	0	114.2	S20 A184	S20-T22 PolarHBondContact O-N 2.93Å; S20-T22 VanDerWaalsContact O-N 3.07Å; T22-A184 HydrophobicContact CG2-CB 3.82Å
23	A	83.3	Confident	89	Confident	79 Å²	79	58.1 Å²	58.1	65%	0.653	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-3.8	174.7	0	0	0	0	0	112.9	S20	S20-A23 PolarHBondContact O-N 3.39Å; S20-A23 VanDerWaalsContact O-N 3.13Å
24	S	85	Confident	89	Confident	25 Å²	25	63.1 Å²	63.1	18%	0.175	33%	0.332	C	S	.	.			trans	-70.6	140.8	-178	174.9	0	0	0	0	113.6	D17 S20 F26	D17-S24 WeakPolarHBondContact CB-OG 3.31Å; D17-S24 WeakPolarHBondContact OD1-CB 3.48Å; D17-S24 PolarHBondContact OD1-OG 3.23Å; S20-S24 WeakPolarHBondContact O-CB 3.25Å; S20-S24 PolarHBondContact O-N 3.44Å; S20-S24 VanDerWaalsContact O-N 3.14Å; S24-F26 VanDerWaalsContact OG-CB 3.23Å; S24-F26 WeakPolarHBondContact OG-CB 3.4Å; S24-F26 PolarHBondContact OG-N 2.73Å; S24-F26 VanDerWaalsContact OG-N 3.08Å
25	I	85.2	Confident	89	Confident	98 Å²	98	64.5 Å²	64.5	50%	0.503	34%	0.339	S	S	.	.			trans	-95	0.5	169.9	63.6	169.8	0	0	0	113.5	T27 T28	I25-T27 PolarHBondContact O-N 2.7Å; I25-T28 PolarHBondContact O-N 3.26Å; I25-T28 PolarHBondContact O-OG1 3.45Å
26	F	88.3	Confident	89	Confident	1 Å²	1	61.5 Å²	61.5	0%	0.004	32%	0.323	C	S	.	.	H	α-helix	trans	-53.7	-33	-172.3	-179.7	-91.9	0	0	0	113.4	F10 E13 T14 D17 S24 T28 R29 M30 R191 F194 Q195	F10-F26 HydrophobicContact CD2-CE2 4.2Å; F10-F26 HydrophobicContact CE2-CE2 4.01Å; F10-F26 HydrophobicContact CE2-CZ 4.17Å; E13-F26 HydrophobicContact CB-CD2 4.18Å; T14-F26 WeakPolarHBondContact OG1-CE2 3.47Å; D17-F26 HydrophobicContact CB-CB 3.87Å; D17-F26 HydrophobicContact CB-CG 4.21Å; S24-F26 VanDerWaalsContact OG-CB 3.23Å; S24-F26 WeakPolarHBondContact OG-CB 3.4Å; S24-F26 PolarHBondContact OG-N 2.73Å; S24-F26 VanDerWaalsContact OG-N 3.08Å; F26-T28 VanDerWaalsContact C-N 3.26Å; F26-T28 PolarHBondContact O-N 2.94Å; F26-R29 CarbonylContact O-C 3.51Å; F26-R29 WeakPolarHBondContact O-CA 3.22Å; F26-R29 WeakPolarHBondContact O-CB 3.39Å; F26-R29 PolarHBondContact O-N 3.43Å; F26-M30 HydrophobicContact CD1-CG 3.86Å; F26-M30 HydrophobicContact CD1-SD 4.22Å; F26-M30 HydrophobicContact CE1-CG 3.54Å; F26-M30 HydrophobicContact CE1-SD 4.01Å; F26-M30 HydrophobicContact CZ-CG 4.28Å; F26-M30 WeakPolarHBondContact O-CG 3.47Å; F26-M30 PolarHBondContact O-N 2.71Å; F26-M30 VanDerWaalsContact O-N 3.12Å; F26-R191 HydrophobicContact CD1-CG 4.18Å; F26-R191 HydrophobicContact CE1-CG 4.24Å; F26-F194 HydrophobicContact CE1-CD1 4.07Å; F26-F194 HydrophobicContact CE1-CE1 4.33Å; F26-F194 HydrophobicContact CZ-CD1 4.11Å; F26-F194 HydrophobicContact CZ-CE1 4.14Å; F26-Q195 HydrophobicContact CE1-CG 3.64Å; F26-Q195 HydrophobicContact CE2-CG 4.1Å; F26-Q195 HydrophobicContact CZ-CG 3.39Å
27	T	84.1	Confident	89.1	Confident	60 Å²	60	56.4 Å²	56.4	37%	0.368	30%	0.299	S	S	.	.	H	α-helix	trans	-56	-37.5	175.9	54.8	0	0	0	0	112.9	I25 R29	I25-T27 PolarHBondContact O-N 2.7Å; T27-R29 PolarHBondContact O-N 2.84Å
28	T	85.2	Confident	89	Confident	82 Å²	82	58.2 Å²	58.2	50%	0.503	32%	0.316	S	S	.	.	H	α-helix	trans	-72.7	-13.6	175.7	68.1	0	0	0	0	113.5	I25 F26 S31 H32	I25-T28 PolarHBondContact O-N 3.26Å; I25-T28 PolarHBondContact O-OG1 3.45Å; F26-T28 VanDerWaalsContact C-N 3.26Å; F26-T28 PolarHBondContact O-N 2.94Å; T28-S31 PolarHBondContact O-OG 2.91Å; T28-H32 PolarHBondContact O-CE1 2.92Å; T28-H32 PolarHBondContact O-NE2 2.62Å
29	R	89.4	Confident	89.2	Confident	70 Å²	70	52.6 Å²	52.6	26%	0.264	30%	0.3	S	S	.	.	H	α-helix	trans	-106.6	-10.9	-172.5	-56.9	-70.1	-117.3	-176.5	-2.6	113.2	E13 F26 T27 S31 H32 C33	E13-R29 IonicContact OE1-CZ 2.66Å; E13-R29 IonicContact OE1-NE 2.63Å; E13-R29 PolarHBondContact OE1-NE 2.95Å; E13-R29 IonicContact OE1-NH2 2.64Å; E13-R29 PolarHBondContact OE1-NH2 2.86Å; E13-R29 VanDerWaalsContact OE2-CB 3.31Å; E13-R29 WeakPolarHBondContact OE2-CB 3.42Å; E13-R29 WeakPolarHBondContact OE2-CG 3.35Å; E13-R29 IonicContact OE2-NE 2.75Å; E13-R29 PolarHBondContact OE2-NE 3.33Å; F26-R29 CarbonylContact O-C 3.51Å; F26-R29 WeakPolarHBondContact O-CA 3.22Å; F26-R29 WeakPolarHBondContact O-CB 3.39Å; F26-R29 PolarHBondContact O-N 3.43Å; T27-R29 PolarHBondContact O-N 2.84Å; R29-S31 PolarHBondContact O-N 2.89Å; R29-H32 PolarHBondContact NH1-CD2 2.78Å; R29-H32 WeakPolarHBondContact O-CA 3.31Å; R29-H32 VanDerWaalsContact O-CB 3.3Å; R29-H32 WeakPolarHBondContact O-CB 3.44Å; R29-H32 PolarHBondContact O-N 3.3Å; R29-C33 PolarHBondContact O-N 3.35Å; R29-C33 PolarHBondContact O-SG 3.2Å; R29-C33 VanDerWaalsContact O-SG 3.42Å
30	M	90.1	Very high	89.3	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.015	28%	0.279	C	S	.	.	H	α-helix	trans	-58.5	-33.9	173.1	-63.2	-179.5	56.1	0	0	112.1	F26 H32 C33 R34 W150 Y153 F194	F26-M30 HydrophobicContact CD1-CG 3.86Å; F26-M30 HydrophobicContact CD1-SD 4.22Å; F26-M30 HydrophobicContact CE1-CG 3.54Å; F26-M30 HydrophobicContact CE1-SD 4.01Å; F26-M30 HydrophobicContact CZ-CG 4.28Å; F26-M30 WeakPolarHBondContact O-CG 3.47Å; F26-M30 PolarHBondContact O-N 2.71Å; F26-M30 VanDerWaalsContact O-N 3.12Å; M30-H32 VanDerWaalsContact C-N 3.31Å; M30-H32 PolarHBondContact O-N 3.29Å; M30-C33 WeakPolarHBondContact O-CB 3.06Å; M30-C33 PolarHBondContact O-N 3.21Å; M30-R34 PolarHBondContact O-N 2.85Å; M30-R34 VanDerWaalsContact O-N 3.11Å; M30-W150 HydrophobicContact CB-CZ3 3.86Å; M30-W150 WeakPolarHBondContact O-CZ3 3.23Å; M30-Y153 HydrophobicContact CE-CD1 3.45Å; M30-Y153 VanDerWaalsContact CE-CD1 3.45Å; M30-Y153 HydrophobicContact CE-CD2 3.71Å; M30-Y153 HydrophobicContact CE-CE1 3.5Å; M30-Y153 VanDerWaalsContact CE-CE1 3.5Å; M30-Y153 HydrophobicContact CE-CE2 3.74Å; M30-Y153 HydrophobicContact CE-CG 3.59Å; M30-Y153 HydrophobicContact SD-CD1 4.29Å; M30-Y153 HydrophobicContact SD-CD2 4.37Å; M30-Y153 HydrophobicContact SD-CE1 3.69Å; M30-Y153 HydrophobicContact SD-CE2 3.77Å; M30-F194 HydrophobicContact CB-CE1 4.04Å; M30-F194 HydrophobicContact CB-CZ 4.26Å; M30-F194 HydrophobicContact CE-CB 4.24Å; M30-F194 HydrophobicContact CE-CD1 3.6Å; M30-F194 HydrophobicContact CE-CD2 4.09Å; M30-F194 HydrophobicContact CE-CE1 3.9Å; M30-F194 HydrophobicContact CE-CE2 4.36Å; M30-F194 HydrophobicContact CE-CG 3.69Å; M30-F194 HydrophobicContact CE-CZ 4.26Å; M30-F194 HydrophobicContact CG-CD1 4.22Å; M30-F194 HydrophobicContact CG-CE1 3.88Å; M30-F194 HydrophobicContact SD-CD1 4.44Å
31	S	89.2	Confident	89.4	Confident	48 Å²	48	46.5 Å²	46.5	34%	0.336	27%	0.269	S	S	.	.	H	α-helix	trans	-60.1	-39.4	171	55.7	0	0	0	0	112.5	T28 R29 R34 N35	T28-S31 PolarHBondContact O-OG 2.91Å; R29-S31 PolarHBondContact O-N 2.89Å; S31-R34 PolarHBondContact O-N 3.38Å; S31-N35 VanDerWaalsContact O-CG 3.3Å; S31-N35 PolarHBondContact O-N 3.06Å; S31-N35 PolarHBondContact O-ND2 3.46Å
32	H	93	Very high	89.7	Confident	37 Å²	37	51.3 Å²	51.3	17%	0.171	29%	0.288	C	S	.	.	H	α-helix	trans	-70.1	-37.2	178.9	-53.6	37.7	0	0	0	110.5	D3 I5 T28 R29 M30 R34 N35 T36	D3-H32 WeakPolarHBondContact O-CA 3.43Å; I5-H32 HydrophobicContact CB-CB 3.99Å; I5-H32 HydrophobicContact CG2-CB 4.39Å; T28-H32 PolarHBondContact O-CE1 2.92Å; T28-H32 PolarHBondContact O-NE2 2.62Å; R29-H32 PolarHBondContact NH1-CD2 2.78Å; R29-H32 WeakPolarHBondContact O-CA 3.31Å; R29-H32 VanDerWaalsContact O-CB 3.3Å; R29-H32 WeakPolarHBondContact O-CB 3.44Å; R29-H32 PolarHBondContact O-N 3.3Å; M30-H32 VanDerWaalsContact C-N 3.31Å; M30-H32 PolarHBondContact O-N 3.29Å; H32-R34 VanDerWaalsContact C-N 3.35Å; H32-R34 PolarHBondContact O-N 3.36Å; H32-N35 PolarHBondContact O-N 3.34Å; H32-T36 PolarHBondContact O-N 2.8Å; H32-T36 PolarHBondContact O-OG1 2.85Å
33	C	94.2	Very high	90.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.4	-47.1	171.4	-59.4	0	0	0	0	111.3	I5 R29 M30 N35 T36 V37 F194 M198	I5-C33 HydrophobicContact CG2-CB 4.35Å; R29-C33 PolarHBondContact O-N 3.35Å; R29-C33 PolarHBondContact O-SG 3.2Å; R29-C33 VanDerWaalsContact O-SG 3.42Å; M30-C33 WeakPolarHBondContact O-CB 3.06Å; M30-C33 PolarHBondContact O-N 3.21Å; C33-N35 PolarHBondContact O-N 2.57Å; C33-T36 PolarHBondContact O-N 2.92Å; C33-V37 WeakPolarHBondContact O-CG2 3.21Å; C33-V37 PolarHBondContact O-N 3.42Å; C33-F194 HydrophobicContact CB-CE1 4.06Å; C33-F194 HydrophobicContact CB-CZ 3.81Å; C33-M198 HydrophobicContact CB-CE 3.79Å; C33-M198 HydrophobicContact CB-CG 4.39Å; C33-M198 HydrophobicContact CB-SD 4.01Å
34	R	92.3	Very high	90.6	Very high	119 Å²	119	45.6 Å²	45.6	45%	0.449	25%	0.25	S	C	.	.	H	α-helix	trans	-63	-38.7	177.3	178.5	176.1	166.7	-170.2	-5.6	112.5	M30 S31 H32 V37 A38 F146 W150	M30-R34 PolarHBondContact O-N 2.85Å; M30-R34 VanDerWaalsContact O-N 3.11Å; S31-R34 PolarHBondContact O-N 3.38Å; H32-R34 VanDerWaalsContact C-N 3.35Å; H32-R34 PolarHBondContact O-N 3.36Å; R34-V37 PolarHBondContact O-N 3.42Å; R34-A38 PolarHBondContact O-N 3.32Å; R34-A38 VanDerWaalsContact O-N 3.12Å; R34-F146 HydrophobicContact CB-CE1 4.38Å; R34-F146 HydrophobicContact CB-CZ 4.29Å; R34-W150 HydrophobicContact CB-CE3 4.33Å; R34-W150 HydrophobicContact CB-CZ3 4.27Å
35	N	93.3	Very high	90.9	Very high	54 Å²	54	46.9 Å²	46.9	29%	0.289	26%	0.255	S	S	.	.	H	α-helix	trans	-64.6	-44.2	173.9	-67.6	-20.2	0	0	0	111.8	P2 D3 Q4 S31 H32 C33 A38 A39	P2-N35 HydrophobicContact CB-CB 4.47Å; D3-N35 VanDerWaalsContact O-CB 3.26Å; D3-N35 WeakPolarHBondContact O-CB 3.26Å; D3-N35 PolarHBondContact O-ND2 3.28Å; Q4-N35 HydrophobicContact CG-CB 4.19Å; S31-N35 VanDerWaalsContact O-CG 3.3Å; S31-N35 PolarHBondContact O-N 3.06Å; S31-N35 PolarHBondContact O-ND2 3.46Å; H32-N35 PolarHBondContact O-N 3.34Å; C33-N35 PolarHBondContact O-N 2.57Å; N35-A38 PolarHBondContact O-N 3.02Å; N35-A39 PolarHBondContact O-N 2.98Å
36	T	94.6	Very high	91.2	Very high	10 Å²	10	46.1 Å²	46.1	6%	0.061	25%	0.254	C	S	.	.	H	α-helix	trans	-59.7	-45.5	174.3	-64.3	0	0	0	0	111.5	Q4 I5 H32 C33 A38 A39 L40 M198	Q4-T36 WeakPolarHBondContact CB-OG1 3.5Å; I5-T36 PolarHBondContact N-OG1 3.1Å; I5-T36 PolarHBondContact O-OG1 3.48Å; H32-T36 PolarHBondContact O-N 2.8Å; H32-T36 PolarHBondContact O-OG1 2.85Å; C33-T36 PolarHBondContact O-N 2.92Å; T36-A38 PolarHBondContact O-N 3.42Å; T36-A39 PolarHBondContact O-N 3.32Å; T36-L40 HydrophobicContact CG2-CD1 3.74Å; T36-L40 HydrophobicContact CG2-CG 4.29Å; T36-L40 WeakPolarHBondContact O-CB 3.33Å; T36-L40 VanDerWaalsContact O-CG 3.25Å; T36-L40 WeakPolarHBondContact O-CG 3.38Å; T36-L40 PolarHBondContact O-N 2.88Å; T36-M198 HydrophobicContact CG2-CE 4.33Å
37	V	93.3	Very high	91.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.6	-45.4	177.6	166.8	0	0	0	0	111.7	C33 R34 L40 E41 K143 F146 M198 Y201	C33-V37 WeakPolarHBondContact O-CG2 3.21Å; C33-V37 PolarHBondContact O-N 3.42Å; R34-V37 PolarHBondContact O-N 3.42Å; V37-L40 PolarHBondContact O-N 3.39Å; V37-E41 PolarHBondContact O-N 3.31Å; V37-K143 HydrophobicContact CG1-CD 4.1Å; V37-K143 HydrophobicContact CG1-CG 3.98Å; V37-F146 HydrophobicContact CB-CD1 4.31Å; V37-F146 HydrophobicContact CB-CE1 3.97Å; V37-F146 HydrophobicContact CB-CZ 4.25Å; V37-F146 HydrophobicContact CG1-CD1 3.88Å; V37-F146 HydrophobicContact CG1-CE1 3.98Å; V37-F146 HydrophobicContact CG2-CD1 4.06Å; V37-F146 HydrophobicContact CG2-CD2 4.1Å; V37-F146 HydrophobicContact CG2-CE1 3.8Å; V37-F146 HydrophobicContact CG2-CE2 3.84Å; V37-F146 HydrophobicContact CG2-CG 4.21Å; V37-F146 HydrophobicContact CG2-CZ 3.68Å; V37-M198 HydrophobicContact CG2-CE 4.12Å; V37-M198 HydrophobicContact CG2-SD 3.57Å; V37-M198 VanDerWaalsContact CG2-SD 3.57Å; V37-Y201 HydrophobicContact CB-CE1 4.13Å; V37-Y201 HydrophobicContact CG1-CE1 4Å; V37-Y201 HydrophobicContact CG1-CE2 4.19Å; V37-Y201 HydrophobicContact CG2-CD1 3.81Å; V37-Y201 HydrophobicContact CG2-CE1 3.81Å; V37-Y201 HydrophobicContact CG2-CG 4.43Å; V37-Y201 PolarHBondContact O-OH 3.38Å; V37-Y201 VanDerWaalsContact O-OH 3.12Å
38	A	91.1	Very high	91.9	Very high	45 Å²	45	49.3 Å²	49.3	37%	0.372	26%	0.264	S	S	.	.	H	α-helix	trans	-64.1	-44.6	178.7	0	0	0	0	0	112.7	R34 N35 T36 L40 E41 E42	R34-A38 PolarHBondContact O-N 3.32Å; R34-A38 VanDerWaalsContact O-N 3.12Å; N35-A38 PolarHBondContact O-N 3.02Å; T36-A38 PolarHBondContact O-N 3.42Å; A38-L40 VanDerWaalsContact C-N 3.32Å; A38-L40 PolarHBondContact O-N 2.89Å; A38-E41 PolarHBondContact O-N 2.95Å; A38-E42 PolarHBondContact O-N 3.33Å
39	A	92.7	Very high	92.2	Very high	30 Å²	30	48 Å²	48	25%	0.248	26%	0.258	C	S	.	.	H	α-helix	trans	-65	-35.2	177.4	0	0	0	0	0	112.7	N35 T36 A43	N35-A39 PolarHBondContact O-N 2.98Å; T36-A39 PolarHBondContact O-N 3.32Å; A39-A43 WeakPolarHBondContact O-CB 3.13Å; A39-A43 PolarHBondContact O-N 3.24Å; A39-A43 VanDerWaalsContact O-N 3.09Å
40	L	93.3	Very high	92.5	Very high	49 Å²	49	48.6 Å²	48.6	26%	0.257	27%	0.269	S	S	.	.	H	α-helix	trans	-70.8	-36.2	174.4	-69.6	172.5	0	0	0	112.5	T36 V37 A38 L44 Y201 L202 V205	T36-L40 HydrophobicContact CG2-CD1 3.74Å; T36-L40 HydrophobicContact CG2-CG 4.29Å; T36-L40 WeakPolarHBondContact O-CB 3.33Å; T36-L40 VanDerWaalsContact O-CG 3.25Å; T36-L40 WeakPolarHBondContact O-CG 3.38Å; T36-L40 PolarHBondContact O-N 2.88Å; V37-L40 PolarHBondContact O-N 3.39Å; A38-L40 VanDerWaalsContact C-N 3.32Å; A38-L40 PolarHBondContact O-N 2.89Å; L40-L44 WeakPolarHBondContact O-CB 3.48Å; L40-L44 VanDerWaalsContact O-CG 3.23Å; L40-L44 WeakPolarHBondContact O-CG 3.28Å; L40-L44 PolarHBondContact O-N 3.33Å; L40-L44 VanDerWaalsContact O-N 3.07Å; L40-Y201 HydrophobicContact CB-CE1 4.18Å; L40-Y201 HydrophobicContact CD1-CE1 4.09Å; L40-L202 HydrophobicContact CD1-CD2 4.03Å; L40-V205 HydrophobicContact CD1-CG1 4.26Å; L40-V205 HydrophobicContact CD2-CG1 4.14Å
41	E	91.3	Very high	92.7	Very high	33 Å²	33	49.1 Å²	49.1	15%	0.154	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-46.9	173.8	-176.6	-178.4	-159.1	0	0	111.1	V37 A38 L44 D45 V138 K143	V37-E41 PolarHBondContact O-N 3.31Å; A38-E41 PolarHBondContact O-N 2.95Å; E41-L44 PolarHBondContact O-N 2.98Å; E41-D45 PolarHBondContact O-N 2.84Å; E41-V138 HydrophobicContact CG-CG1 4.48Å; E41-K143 WeakPolarHBondContact OE2-CD 3.26Å; E41-K143 WeakPolarHBondContact OE2-CE 3.5Å; E41-K143 IonicContact OE2-NZ 2.71Å; E41-K143 PolarHBondContact OE2-NZ 3.05Å
42	E	91.3	Very high	92.9	Very high	143 Å²	143	53.6 Å²	53.6	67%	0.668	28%	0.282	S	S	*	.	H	α-helix	trans	-59.8	-48.8	177.6	-176.2	174.9	-167.6	0	0	111.7	A38 L44 D45 V46	A38-E42 PolarHBondContact O-N 3.33Å; E42-L44 VanDerWaalsContact C-N 3.28Å; E42-L44 PolarHBondContact O-N 2.75Å; E42-D45 PolarHBondContact O-N 3.41Å; E42-V46 WeakPolarHBondContact O-CG2 3.37Å; E42-V46 PolarHBondContact O-N 3.19Å
43	A	92.6	Very high	93	Very high	47 Å²	47	58.5 Å²	58.5	39%	0.388	30%	0.303	S	S	.	.	H	α-helix	trans	-59.8	-37.6	176.5	0	0	0	0	0	112.7	A39 D47	A39-A43 WeakPolarHBondContact O-CB 3.13Å; A39-A43 PolarHBondContact O-N 3.24Å; A39-A43 VanDerWaalsContact O-N 3.09Å; A43-D47 WeakPolarHBondContact O-CB 3.3Å; A43-D47 PolarHBondContact O-N 3.23Å
44	L	93.3	Very high	93.1	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.016	32%	0.316	C	S	.	.	H	α-helix	trans	-74.5	-31.1	178.2	-73.3	174.6	0	0	0	113.7	L40 E41 E42 R48 L135 V138 L142 V205 I208 K212	L40-L44 WeakPolarHBondContact O-CB 3.48Å; L40-L44 VanDerWaalsContact O-CG 3.23Å; L40-L44 WeakPolarHBondContact O-CG 3.28Å; L40-L44 PolarHBondContact O-N 3.33Å; L40-L44 VanDerWaalsContact O-N 3.07Å; E41-L44 PolarHBondContact O-N 2.98Å; E42-L44 VanDerWaalsContact C-N 3.28Å; E42-L44 PolarHBondContact O-N 2.75Å; L44-R48 WeakPolarHBondContact O-CB 3.37Å; L44-R48 PolarHBondContact O-N 3.26Å; L44-L135 HydrophobicContact CD2-CD2 4.19Å; L44-V138 HydrophobicContact CB-CG1 3.62Å; L44-V138 HydrophobicContact CB-CG2 4.39Å; L44-V138 HydrophobicContact CD1-CG1 4.46Å; L44-L142 HydrophobicContact CD1-CD2 4.42Å; L44-V205 HydrophobicContact CD1-CG1 4.36Å; L44-V205 HydrophobicContact CD1-CG2 4.02Å; L44-I208 HydrophobicContact CD2-CG2 3.63Å; L44-K212 HydrophobicContact CD2-CD 4.48Å
45	D	90.5	Very high	93.2	Very high	53 Å²	53	57.1 Å²	57.1	28%	0.283	30%	0.302	S	S	.	.	H	α-helix	trans	-71	-38.3	173.5	-154.6	29.2	0	0	0	110.9	E41 E42 R48 S49 K139	E41-D45 PolarHBondContact O-N 2.84Å; E42-D45 PolarHBondContact O-N 3.41Å; D45-R48 PolarHBondContact O-N 3.29Å; D45-S49 PolarHBondContact O-N 3.39Å; D45-S49 VanDerWaalsContact O-N 3.07Å; D45-K139 IonicContact OD2-NZ 2.68Å; D45-K139 PolarHBondContact OD2-NZ 3.17Å
46	V	92.7	Very high	93.3	Very high	82 Å²	82	62.1 Å²	62.1	50%	0.497	32%	0.321	S	S	.	.	H	α-helix	trans	-60.1	-53.8	171.2	172.2	0	0	0	0	110.9	E42 R48 S49 V50	E42-V46 WeakPolarHBondContact O-CG2 3.37Å; E42-V46 PolarHBondContact O-N 3.19Å; V46-R48 VanDerWaalsContact C-N 3.33Å; V46-R48 PolarHBondContact O-N 2.86Å; V46-S49 WeakPolarHBondContact O-CB 3.46Å; V46-S49 PolarHBondContact O-N 2.75Å; V46-S49 PolarHBondContact O-OG 2.77Å; V46-V50 PolarHBondContact O-N 3.1Å
47	D	93.1	Very high	93.4	Very high	53 Å²	53	65.1 Å²	65.1	28%	0.283	34%	0.342	S	S	.	.	H	α-helix	trans	-60.9	-40.7	179	-77.8	-24.5	0	0	0	112.3	A43 S49 V50 L51 K212	A43-D47 WeakPolarHBondContact O-CB 3.3Å; A43-D47 PolarHBondContact O-N 3.23Å; D47-S49 PolarHBondContact O-N 3.31Å; D47-V50 PolarHBondContact O-N 2.84Å; D47-V50 VanDerWaalsContact O-N 3.12Å; D47-L51 WeakPolarHBondContact O-CB 3.31Å; D47-L51 WeakPolarHBondContact O-CG 3.27Å; D47-L51 PolarHBondContact O-N 2.97Å; D47-K212 WeakPolarHBondContact OD2-CE 3.27Å; D47-K212 IonicContact OD2-NZ 2.68Å; D47-K212 PolarHBondContact OD2-NZ 2.95Å
48	R	93	Very high	93.5	Very high	75 Å²	75	65.7 Å²	65.7	28%	0.283	35%	0.346	S	S	.	.	H	α-helix	trans	-56.6	-39.7	174.1	177.9	178.4	174	71.9	12.2	111.3	L44 D45 V46 Y52 L131 L135	L44-R48 WeakPolarHBondContact O-CB 3.37Å; L44-R48 PolarHBondContact O-N 3.26Å; D45-R48 PolarHBondContact O-N 3.29Å; V46-R48 VanDerWaalsContact C-N 3.33Å; V46-R48 PolarHBondContact O-N 2.86Å; R48-Y52 VanDerWaalsContact O-CB 3.25Å; R48-Y52 WeakPolarHBondContact O-CB 3.37Å; R48-Y52 PolarHBondContact O-N 3Å; R48-L131 HydrophobicContact CG-CD2 4.27Å; R48-L131 PolarHBondContact NH1-O 3.21Å; R48-L135 HydrophobicContact CB-CD1 4.4Å; R48-L135 PolarHBondContact NH1-O 3.08Å
49	S	91.8	Very high	93.6	Very high	54 Å²	54	69.4 Å²	69.4	38%	0.378	35%	0.354	S	S	.	.	H	α-helix	trans	-67.2	-37.2	176.8	87.2	0	0	0	0	113	D45 V46 D47 K53	D45-S49 PolarHBondContact O-N 3.39Å; D45-S49 VanDerWaalsContact O-N 3.07Å; V46-S49 WeakPolarHBondContact O-CB 3.46Å; V46-S49 PolarHBondContact O-N 2.75Å; V46-S49 PolarHBondContact O-OG 2.77Å; D47-S49 PolarHBondContact O-N 3.31Å; S49-K53 WeakPolarHBondContact O-CG 3.49Å; S49-K53 PolarHBondContact O-N 2.72Å
50	V	95	Very high	93.8	Very high	83 Å²	83	70.8 Å²	70.8	50%	0.503	37%	0.365	S	S	.	.	H	α-helix	trans	-72.3	-48.2	179	176.4	0	0	0	0	110.7	V46 D47 Y52 K53 M54	V46-V50 PolarHBondContact O-N 3.1Å; D47-V50 PolarHBondContact O-N 2.84Å; D47-V50 VanDerWaalsContact O-N 3.12Å; V50-Y52 VanDerWaalsContact C-N 3.28Å; V50-Y52 PolarHBondContact O-N 2.86Å; V50-K53 WeakPolarHBondContact O-CB 3.19Å; V50-K53 PolarHBondContact O-N 2.98Å; V50-K53 VanDerWaalsContact O-N 3.14Å; V50-M54 PolarHBondContact O-N 3.07Å
51	L	95.1	Very high	93.8	Very high	14 Å²	14	72.3 Å²	72.3	7%	0.073	37%	0.373	C	S	.	.	H	α-helix	trans	-61.3	-36.6	176.8	-69.3	168.2	0	0	0	111.8	D47 M54 K55 L127 L130 L131 L135 K212 L216	D47-L51 WeakPolarHBondContact O-CB 3.31Å; D47-L51 WeakPolarHBondContact O-CG 3.27Å; D47-L51 PolarHBondContact O-N 2.97Å; L51-M54 PolarHBondContact O-N 2.84Å; L51-K55 WeakPolarHBondContact O-CB 3.31Å; L51-K55 PolarHBondContact O-N 3.41Å; L51-L127 HydrophobicContact CD2-CD2 4.01Å; L51-L130 HydrophobicContact CD1-CD2 4Å; L51-L131 HydrophobicContact CB-CD1 4.46Å; L51-L131 HydrophobicContact CB-CD2 3.96Å; L51-L131 HydrophobicContact CB-CG 4.4Å; L51-L135 HydrophobicContact CD1-CD1 3.72Å; L51-K212 HydrophobicContact CD1-CB 4.23Å; L51-L216 HydrophobicContact CD2-CD2 3.58Å
52	Y	94.1	Very high	94	Very high	142 Å²	142	72.7 Å²	72.7	56%	0.557	37%	0.373	S	S	*	.	H	α-helix	trans	-66	-39.7	174.6	-170.2	-95.5	0	0	0	112.7	R48 V50 K55 K56 L131	R48-Y52 VanDerWaalsContact O-CB 3.25Å; R48-Y52 WeakPolarHBondContact O-CB 3.37Å; R48-Y52 PolarHBondContact O-N 3Å; V50-Y52 VanDerWaalsContact C-N 3.28Å; V50-Y52 PolarHBondContact O-N 2.86Å; Y52-K55 PolarHBondContact O-N 2.97Å; Y52-K56 PolarHBondContact O-N 2.83Å; Y52-L131 HydrophobicContact CD2-CD1 4.44Å
53	K	95.4	Very high	94.2	Very high	140 Å²	140	69.5 Å²	69.5	61%	0.609	36%	0.364	S	S	*	.	H	α-helix	trans	-63	-47.2	172.1	-71.6	168.2	-178.1	173.9	0	111.2	S49 V50 K55 K56 S57	S49-K53 WeakPolarHBondContact O-CG 3.49Å; S49-K53 PolarHBondContact O-N 2.72Å; V50-K53 WeakPolarHBondContact O-CB 3.19Å; V50-K53 PolarHBondContact O-N 2.98Å; V50-K53 VanDerWaalsContact O-N 3.14Å; K53-K55 PolarHBondContact O-N 3.21Å; K53-K56 WeakPolarHBondContact O-CB 2.95Å; K53-K56 PolarHBondContact O-N 3.08Å; K53-K56 VanDerWaalsContact O-N 3.11Å; K53-S57 PolarHBondContact O-N 2.85Å; K53-S57 PolarHBondContact O-OG 3.25Å
54	M	95.5	Very high	94.4	Very high	56 Å²	56	70.9 Å²	70.9	28%	0.276	37%	0.37	S	S	.	.	H	α-helix	trans	-55.2	-49.6	175.7	-176.8	-175.2	-179.1	0	0	111.3	V50 L51 K56 S57 V58 L127 L216 L220	V50-M54 PolarHBondContact O-N 3.07Å; L51-M54 PolarHBondContact O-N 2.84Å; M54-K56 VanDerWaalsContact C-N 3.34Å; M54-K56 PolarHBondContact O-N 2.96Å; M54-S57 PolarHBondContact O-N 2.8Å; M54-V58 HydrophobicContact CG-CG2 4.46Å; M54-V58 WeakPolarHBondContact O-CG2 3.27Å; M54-V58 PolarHBondContact O-N 2.74Å; M54-L127 HydrophobicContact CE-CD1 4.26Å; M54-L127 HydrophobicContact CG-CD1 4.09Å; M54-L127 HydrophobicContact SD-CD1 4.11Å; M54-L127 HydrophobicContact SD-CD2 4.18Å; M54-L216 HydrophobicContact CE-CD1 4.37Å; M54-L216 HydrophobicContact SD-CD2 4.41Å; M54-L220 HydrophobicContact CE-CD1 4.34Å; M54-L220 HydrophobicContact CE-CD2 4Å
55	K	94.7	Very high	94.4	Very high	34 Å²	34	70.9 Å²	70.9	15%	0.148	37%	0.371	C	S	.	.	H	α-helix	trans	-57.8	-42.7	175.4	-176.2	-163.7	160.6	-171.8	0	112.2	L51 Y52 K53 S57 V58 K59 L127 D128 L131	L51-K55 WeakPolarHBondContact O-CB 3.31Å; L51-K55 PolarHBondContact O-N 3.41Å; Y52-K55 PolarHBondContact O-N 2.97Å; K53-K55 PolarHBondContact O-N 3.21Å; K55-S57 PolarHBondContact O-N 3.32Å; K55-V58 PolarHBondContact O-N 2.97Å; K55-K59 WeakPolarHBondContact O-CB 3.37Å; K55-K59 PolarHBondContact O-N 2.8Å; K55-L127 HydrophobicContact CB-CB 4.43Å; K55-L127 HydrophobicContact CB-CD1 4.38Å; K55-L127 HydrophobicContact CG-CB 4.48Å; K55-D128 WeakPolarHBondContact CE-OD1 3.38Å; K55-D128 VanDerWaalsContact CE-OD2 3.28Å; K55-D128 WeakPolarHBondContact CE-OD2 3.13Å; K55-D128 IonicContact NZ-OD1 3.95Å; K55-D128 PolarHBondContact NZ-OD1 2.83Å; K55-D128 IonicContact NZ-OD2 3.63Å; K55-D128 PolarHBondContact NZ-OD2 2.95Å; K55-L131 HydrophobicContact CB-CD1 3.83Å; K55-L131 HydrophobicContact CD-CD1 3.71Å; K55-L131 HydrophobicContact CG-CD1 4.3Å
56	K	95.8	Very high	94.6	Very high	159 Å²	159	71.7 Å²	71.7	69%	0.691	38%	0.375	S	S	*	.	H	α-helix	trans	-60	-45.5	177.7	-171.5	-175.5	177	-173.2	0	111	Y52 K53 M54 K59 A60	Y52-K56 PolarHBondContact O-N 2.83Å; K53-K56 WeakPolarHBondContact O-CB 2.95Å; K53-K56 PolarHBondContact O-N 3.08Å; K53-K56 VanDerWaalsContact O-N 3.11Å; M54-K56 VanDerWaalsContact C-N 3.34Å; M54-K56 PolarHBondContact O-N 2.96Å; K56-K59 PolarHBondContact O-N 3.14Å; K56-A60 PolarHBondContact O-N 2.63Å
57	S	95.8	Very high	94.7	Very high	72 Å²	72	69.7 Å²	69.7	50%	0.503	37%	0.367	S	S	.	.	H	α-helix	trans	-65.5	-45	177.7	-57.4	0	0	0	0	112.5	K53 M54 K55 K59 A60 I61	K53-S57 PolarHBondContact O-N 2.85Å; K53-S57 PolarHBondContact O-OG 3.25Å; M54-S57 PolarHBondContact O-N 2.8Å; K55-S57 PolarHBondContact O-N 3.32Å; S57-K59 PolarHBondContact O-N 2.96Å; S57-A60 WeakPolarHBondContact O-CB 3.48Å; S57-A60 PolarHBondContact O-N 3.44Å; S57-I61 WeakPolarHBondContact O-CG1 3.45Å; S57-I61 PolarHBondContact O-N 3.49Å
58	V	95.2	Very high	94.8	Very high	13 Å²	13	71.4 Å²	71.4	8%	0.079	37%	0.373	C	S	.	.	H	α-helix	trans	-61.4	-42.9	176.9	172.1	0	0	0	0	111.4	M54 K55 A60 I61 Y62 M119 I123 T124 L127	M54-V58 HydrophobicContact CG-CG2 4.46Å; M54-V58 WeakPolarHBondContact O-CG2 3.27Å; M54-V58 PolarHBondContact O-N 2.74Å; K55-V58 PolarHBondContact O-N 2.97Å; V58-A60 VanDerWaalsContact C-N 3.34Å; V58-A60 PolarHBondContact O-N 3.5Å; V58-I61 PolarHBondContact O-N 3.45Å; V58-Y62 PolarHBondContact O-N 3.11Å; V58-M119 HydrophobicContact CG1-CG 3.99Å; V58-M119 HydrophobicContact CG1-SD 3.77Å; V58-I123 HydrophobicContact CG1-CB 4.28Å; V58-I123 HydrophobicContact CG1-CG2 3.91Å; V58-I123 HydrophobicContact CG2-CG2 3.92Å; V58-T124 WeakPolarHBondContact CG1-OG1 3.48Å; V58-L127 HydrophobicContact CG2-CD1 4.48Å
59	K	94.2	Very high	95	Very high	123 Å²	123	68 Å²	68	54%	0.535	36%	0.361	S	S	.	.	H	α-helix	trans	-62.4	-41.3	174.8	-174.8	178.1	177.8	-174.9	0	111.6	K55 K56 S57 Y62 T63	K55-K59 WeakPolarHBondContact O-CB 3.37Å; K55-K59 PolarHBondContact O-N 2.8Å; K56-K59 PolarHBondContact O-N 3.14Å; S57-K59 PolarHBondContact O-N 2.96Å; K59-Y62 PolarHBondContact O-N 3.35Å; K59-T63 PolarHBondContact O-N 2.91Å; K59-T63 PolarHBondContact O-OG1 3.43Å
60	A	95.6	Very high	95.1	Very high	59 Å²	59	70.8 Å²	70.8	49%	0.488	37%	0.368	S	S	.	.	H	α-helix	trans	-60.3	-47.3	177.2	0	0	0	0	0	111.5	K56 S57 V58 Y62 T63 S64	K56-A60 PolarHBondContact O-N 2.63Å; S57-A60 WeakPolarHBondContact O-CB 3.48Å; S57-A60 PolarHBondContact O-N 3.44Å; V58-A60 VanDerWaalsContact C-N 3.34Å; V58-A60 PolarHBondContact O-N 3.5Å; A60-Y62 VanDerWaalsContact C-N 3.33Å; A60-Y62 PolarHBondContact O-N 3.23Å; A60-T63 PolarHBondContact O-N 3.11Å; A60-S64 PolarHBondContact O-N 2.84Å; A60-S64 PolarHBondContact O-OG 3.36Å; A60-S64 VanDerWaalsContact O-OG 3.06Å
61	I	94.9	Very high	95.1	Very high	80 Å²	80	71.7 Å²	71.7	41%	0.41	37%	0.37	S	S	.	.	H	α-helix	trans	-57.9	-44.2	176.2	-66.6	162.8	0	0	0	111.3	S57 V58 S64 G65 M119	S57-I61 WeakPolarHBondContact O-CG1 3.45Å; S57-I61 PolarHBondContact O-N 3.49Å; V58-I61 PolarHBondContact O-N 3.45Å; I61-S64 WeakPolarHBondContact CA-OG 3.48Å; I61-S64 PolarHBondContact O-OG 3.41Å; I61-G65 PolarHBondContact O-N 2.81Å; I61-M119 HydrophobicContact CG2-CE 3.93Å
62	Y	94.6	Very high	95.1	Very high	41 Å²	41	72.1 Å²	72.1	16%	0.161	37%	0.371	C	S	.	.	H	α-helix	trans	-63.3	-46.4	177	175.2	-114.9	0	0	0	112.2	V58 K59 A60 G65 L66 F116 N120	V58-Y62 PolarHBondContact O-N 3.11Å; K59-Y62 PolarHBondContact O-N 3.35Å; A60-Y62 VanDerWaalsContact C-N 3.33Å; A60-Y62 PolarHBondContact O-N 3.23Å; Y62-G65 PolarHBondContact O-N 3.06Å; Y62-L66 HydrophobicContact CD1-CD1 4.48Å; Y62-L66 HydrophobicContact CD2-CG 4.46Å; Y62-L66 HydrophobicContact CE1-CD1 3.85Å; Y62-L66 HydrophobicContact CE2-CD1 4.13Å; Y62-L66 HydrophobicContact CE2-CD2 4.1Å; Y62-L66 HydrophobicContact CE2-CG 4.05Å; Y62-L66 PolarHBondContact O-N 3.38Å; Y62-F116 HydrophobicContact CD2-CB 4.12Å; Y62-F116 VanDerWaalsContact CD2-O 3.26Å; Y62-F116 WeakPolarHBondContact CD2-O 3.37Å; Y62-F116 HydrophobicContact CE2-CB 4.34Å; Y62-F116 WeakPolarHBondContact CE2-O 3.46Å; Y62-N120 HydrophobicContact CD2-CB 3.96Å; Y62-N120 HydrophobicContact CE1-CB 4.3Å; Y62-N120 HydrophobicContact CE2-CB 3.65Å; Y62-N120 HydrophobicContact CG-CB 4.42Å
63	T	94.7	Very high	95.1	Very high	77 Å²	77	68.7 Å²	68.7	47%	0.472	36%	0.36	S	S	.	.	H	α-helix	trans	-65.6	-41.5	179.1	-64.3	0	0	0	0	112.4	K59 A60 G65 A67	K59-T63 PolarHBondContact O-N 2.91Å; K59-T63 PolarHBondContact O-OG1 3.43Å; A60-T63 PolarHBondContact O-N 3.11Å; T63-G65 VanDerWaalsContact C-N 3.3Å; T63-G65 PolarHBondContact O-N 3.12Å; T63-A67 PolarHBondContact O-N 3.01Å
64	S	96.5	Very high	95.1	Very high	75 Å²	75	67 Å²	67	52%	0.524	36%	0.355	S	S	.	.	H	α-helix	trans	-67	-31.9	173	55	0	0	0	0	112.7	A60 I61 H68	A60-S64 PolarHBondContact O-N 2.84Å; A60-S64 PolarHBondContact O-OG 3.36Å; A60-S64 VanDerWaalsContact O-OG 3.06Å; I61-S64 WeakPolarHBondContact CA-OG 3.48Å; I61-S64 PolarHBondContact O-OG 3.41Å; S64-H68 WeakPolarHBondContact O-CB 3.35Å; S64-H68 PolarHBondContact O-N 3.41Å
65	G	95.3	Very high	95	Very high	3 Å²	3	70.7 Å²	70.7	3%	0.031	37%	0.367	C	S	.	.	H	α-helix	trans	-68.2	-41.5	177	0	0	0	0	0	113.5	I61 Y62 T63 H68 V69 F116	I61-G65 PolarHBondContact O-N 2.81Å; Y62-G65 PolarHBondContact O-N 3.06Å; T63-G65 VanDerWaalsContact C-N 3.3Å; T63-G65 PolarHBondContact O-N 3.12Å; G65-H68 PolarHBondContact O-N 3.4Å; G65-V69 WeakPolarHBondContact O-CG2 3.37Å; G65-V69 PolarHBondContact O-N 3.48Å; G65-V69 VanDerWaalsContact O-N 3.11Å; G65-F116 WeakPolarHBondContact O-CD2 3.49Å; G65-F116 WeakPolarHBondContact O-CE2 3.29Å
66	L	93.9	Very high	95.1	Very high	71 Å²	71	69.1 Å²	69.1	37%	0.372	36%	0.36	S	S	.	.	H	α-helix	trans	-62.2	-46.2	172.5	-69.4	-177.6	0	0	0	111.7	Y62 H68 V69 E70	Y62-L66 HydrophobicContact CD1-CD1 4.48Å; Y62-L66 HydrophobicContact CD2-CG 4.46Å; Y62-L66 HydrophobicContact CE1-CD1 3.85Å; Y62-L66 HydrophobicContact CE2-CD1 4.13Å; Y62-L66 HydrophobicContact CE2-CD2 4.1Å; Y62-L66 HydrophobicContact CE2-CG 4.05Å; Y62-L66 PolarHBondContact O-N 3.38Å; L66-H68 VanDerWaalsContact C-N 3.29Å; L66-H68 PolarHBondContact O-N 3.38Å; L66-V69 PolarHBondContact O-N 3.31Å; L66-E70 WeakPolarHBondContact O-CB 3.27Å; L66-E70 PolarHBondContact O-N 3.33Å
67	A	95.1	Very high	95	Very high	40 Å²	40	67.3 Å²	67.3	33%	0.331	35%	0.354	S	S	.	.	H	α-helix	trans	-62	-36.1	177.2	0	0	0	0	0	112.2	T63 E70 N71	T63-A67 PolarHBondContact O-N 3.01Å; A67-E70 PolarHBondContact O-N 2.9Å; A67-N71 PolarHBondContact O-N 2.64Å; A67-N71 VanDerWaalsContact O-N 3.08Å; A67-N71 PolarHBondContact O-ND2 3.47Å
68	H	94.8	Very high	94.8	Very high	88 Å²	88	66.9 Å²	66.9	41%	0.407	35%	0.354	S	S	.	.	H	α-helix	trans	-61.8	-47.9	173.7	179.8	7.2	0	0	0	111.7	S64 G65 L66 E70 N71 E72	S64-H68 WeakPolarHBondContact O-CB 3.35Å; S64-H68 PolarHBondContact O-N 3.41Å; G65-H68 PolarHBondContact O-N 3.4Å; L66-H68 VanDerWaalsContact C-N 3.29Å; L66-H68 PolarHBondContact O-N 3.38Å; H68-E70 PolarHBondContact O-N 2.79Å; H68-N71 PolarHBondContact O-N 3.04Å; H68-E72 IonicContact CE1-OE2 2.74Å; H68-E72 WeakPolarHBondContact O-CB 3.43Å; H68-E72 PolarHBondContact O-N 3.35Å
69	V	96.8	Very high	94.7	Very high	4 Å²	4	67.1 Å²	67.1	2%	0.024	36%	0.355	C	S	.	.	H	α-helix	trans	-60	-44.8	177.1	167.9	0	0	0	0	111.1	G65 L66 N71 E72 E73 T109 F112 K113 F116	G65-V69 WeakPolarHBondContact O-CG2 3.37Å; G65-V69 PolarHBondContact O-N 3.48Å; G65-V69 VanDerWaalsContact O-N 3.11Å; L66-V69 PolarHBondContact O-N 3.31Å; V69-N71 PolarHBondContact O-N 3.44Å; V69-E72 PolarHBondContact O-N 2.63Å; V69-E72 VanDerWaalsContact O-N 3.14Å; V69-E73 HydrophobicContact CG1-CG 4.39Å; V69-E73 WeakPolarHBondContact O-CG 3.23Å; V69-E73 PolarHBondContact O-N 3.25Å; V69-T109 HydrophobicContact CG1-CG2 3.89Å; V69-F112 HydrophobicContact CG2-CB 3.7Å; V69-K113 HydrophobicContact CG1-CB 4.1Å; V69-K113 HydrophobicContact CG1-CD 3.85Å; V69-K113 HydrophobicContact CG1-CG 3.98Å; V69-K113 HydrophobicContact CG2-CB 4.39Å; V69-F116 HydrophobicContact CG2-CD2 4.04Å; V69-F116 HydrophobicContact CG2-CE2 4.2Å
70	E	95	Very high	94.7	Very high	113 Å²	113	63.3 Å²	63.3	53%	0.528	34%	0.339	S	S	.	.	H	α-helix	trans	-59.6	-44.2	178.5	-178.4	173.5	-154.5	0	0	112.6	L66 A67 H68 E72 E73 Q74	L66-E70 WeakPolarHBondContact O-CB 3.27Å; L66-E70 PolarHBondContact O-N 3.33Å; A67-E70 PolarHBondContact O-N 2.9Å; H68-E70 PolarHBondContact O-N 2.79Å; E70-E72 VanDerWaalsContact C-N 3.34Å; E70-E73 PolarHBondContact O-N 2.94Å; E70-Q74 WeakPolarHBondContact O-CG 3.16Å; E70-Q74 PolarHBondContact O-N 2.88Å; E70-Q74 VanDerWaalsContact O-N 3.1Å
71	N	94.4	Very high	94.4	Very high	102 Å²	102	67 Å²	67	55%	0.545	34%	0.344	S	S	.	.	H	α-helix	trans	-67.6	-33.2	174.7	-77.7	-93.9	0	0	0	112.3	A67 H68 V69 Y75	A67-N71 PolarHBondContact O-N 2.64Å; A67-N71 VanDerWaalsContact O-N 3.08Å; A67-N71 PolarHBondContact O-ND2 3.47Å; H68-N71 PolarHBondContact O-N 3.04Å; V69-N71 PolarHBondContact O-N 3.44Å; N71-Y75 WeakPolarHBondContact O-CB 3.43Å; N71-Y75 PolarHBondContact O-N 2.78Å
72	E	94.4	Very high	94.1	Very high	23 Å²	23	68.4 Å²	68.4	11%	0.107	35%	0.347	C	S	.	.	H	α-helix	trans	-71.7	-37.4	177.3	-155.2	178.9	-173.9	0	0	111.5	H68 V69 E70 T76 T105 T109	H68-E72 IonicContact CE1-OE2 2.74Å; H68-E72 WeakPolarHBondContact O-CB 3.43Å; H68-E72 PolarHBondContact O-N 3.35Å; V69-E72 PolarHBondContact O-N 2.63Å; V69-E72 VanDerWaalsContact O-N 3.14Å; E70-E72 VanDerWaalsContact C-N 3.34Å; E72-T76 WeakPolarHBondContact O-CB 3.4Å; E72-T76 PolarHBondContact O-N 3.36Å; E72-T76 PolarHBondContact O-OG1 3.23Å; E72-T105 HydrophobicContact CG-CG2 3.72Å; E72-T109 HydrophobicContact CB-CG2 4.18Å; E72-T109 HydrophobicContact CG-CG2 4.49Å; E72-T109 WeakPolarHBondContact CG-OG1 3.45Å; E72-T109 PolarHBondContact OE2-OG1 3.16Å
73	E	95.3	Very high	93.8	Very high	70 Å²	70	66.4 Å²	66.4	33%	0.327	34%	0.34	S	S	.	.	H	α-helix	trans	-62.7	-46.2	172	-68.9	-176.5	162.5	0	0	111.2	V69 E70 T76 Q77 T109 K113	V69-E73 HydrophobicContact CG1-CG 4.39Å; V69-E73 WeakPolarHBondContact O-CG 3.23Å; V69-E73 PolarHBondContact O-N 3.25Å; E70-E73 PolarHBondContact O-N 2.94Å; E73-T76 PolarHBondContact O-N 3.08Å; E73-Q77 WeakPolarHBondContact O-CG 3.43Å; E73-Q77 PolarHBondContact O-N 2.93Å; E73-Q77 VanDerWaalsContact O-N 3.08Å; E73-T109 HydrophobicContact CG-CG2 3.5Å; E73-K113 IonicContact OE1-NZ 3.16Å; E73-K113 PolarHBondContact OE1-NZ 3.07Å; E73-K113 IonicContact OE2-NZ 3.17Å; E73-K113 PolarHBondContact OE2-NZ 3.29Å
74	Q	93.8	Very high	93.5	Very high	105 Å²	105	68.4 Å²	68.4	49%	0.491	34%	0.344	S	S	.	.	H	α-helix	trans	-63.6	-47	176.6	-70.5	172.9	11.4	0	0	112.8	E70 T76 Q77 A78	E70-Q74 WeakPolarHBondContact O-CG 3.16Å; E70-Q74 PolarHBondContact O-N 2.88Å; E70-Q74 VanDerWaalsContact O-N 3.1Å; Q74-T76 PolarHBondContact O-N 2.84Å; Q74-Q77 PolarHBondContact O-N 3.35Å; Q74-A78 PolarHBondContact O-N 3.46Å; Q74-A78 VanDerWaalsContact O-N 3.13Å
75	Y	94.6	Very high	92.9	Very high	133 Å²	133	69 Å²	69	52%	0.522	34%	0.341	S	S	.	.	H	α-helix	trans	-56.6	-41.6	175.3	165.7	-104.6	0	0	0	111.5	N71 A78 L79 T105	N71-Y75 WeakPolarHBondContact O-CB 3.43Å; N71-Y75 PolarHBondContact O-N 2.78Å; Y75-A78 PolarHBondContact O-N 3.26Å; Y75-L79 HydrophobicContact CE1-CD2 4.14Å; Y75-L79 WeakPolarHBondContact O-CB 3.21Å; Y75-L79 PolarHBondContact O-N 3.44Å; Y75-T105 HydrophobicContact CD1-CG2 4.14Å; Y75-T105 HydrophobicContact CE1-CG2 4.24Å
76	T	95.6	Very high	92.1	Very high	1 Å²	1	70 Å²	70	1%	0.006	35%	0.348	C	S	.	.	H	α-helix	trans	-68.5	-40	-178.6	-53.2	0	0	0	0	112	E72 E73 Q74 A78 L79 E80 S102 T105 K106	E72-T76 WeakPolarHBondContact O-CB 3.4Å; E72-T76 PolarHBondContact O-N 3.36Å; E72-T76 PolarHBondContact O-OG1 3.23Å; E73-T76 PolarHBondContact O-N 3.08Å; Q74-T76 PolarHBondContact O-N 2.84Å; T76-A78 PolarHBondContact O-N 3.04Å; T76-L79 WeakPolarHBondContact O-CB 3.47Å; T76-L79 PolarHBondContact O-N 3.18Å; T76-E80 WeakPolarHBondContact O-CG 3.21Å; T76-E80 PolarHBondContact O-N 2.81Å; T76-S102 WeakPolarHBondContact CG2-O 3.41Å; T76-S102 WeakPolarHBondContact CG2-OG 3.49Å; T76-T105 WeakPolarHBondContact OG1-CG2 3.46Å; T76-K106 HydrophobicContact CG2-CB 4.4Å; T76-K106 HydrophobicContact CG2-CD 3.99Å; T76-K106 HydrophobicContact CG2-CG 3.76Å
77	Q	93.7	Very high	91.3	Very high	121 Å²	121	69.9 Å²	69.9	57%	0.565	35%	0.349	S	S	*	.	H	α-helix	trans	-60.9	-42.6	174	-69	167.8	12.7	0	0	112.3	E73 Q74 L79 E80 K81	E73-Q77 WeakPolarHBondContact O-CG 3.43Å; E73-Q77 PolarHBondContact O-N 2.93Å; E73-Q77 VanDerWaalsContact O-N 3.08Å; Q74-Q77 PolarHBondContact O-N 3.35Å; Q77-L79 VanDerWaalsContact C-N 3.32Å; Q77-L79 PolarHBondContact O-N 2.7Å; Q77-E80 PolarHBondContact O-N 2.95Å; Q77-K81 PolarHBondContact O-N 3.39Å; Q77-K81 VanDerWaalsContact O-N 3.08Å
78	A	93.3	Very high	89.7	Confident	62 Å²	62	72.7 Å²	72.7	51%	0.512	37%	0.365	S	S	.	.	H	α-helix	trans	-63.7	-38.1	176.3	0	0	0	0	0	112.1	Q74 Y75 T76 F82	Q74-A78 PolarHBondContact O-N 3.46Å; Q74-A78 VanDerWaalsContact O-N 3.13Å; Y75-A78 PolarHBondContact O-N 3.26Å; T76-A78 PolarHBondContact O-N 3.04Å; A78-F82 WeakPolarHBondContact O-CB 3.44Å; A78-F82 PolarHBondContact O-N 3.32Å
79	L	92.3	Very high	87.8	Confident	19 Å²	19	75.1 Å²	75.1	10%	0.099	38%	0.377	C	S	.	.	H	α-helix	trans	-66.4	-34.5	177.1	-171.7	61	0	0	0	112.6	Y75 T76 Q77 G83 F98 F101	Y75-L79 HydrophobicContact CE1-CD2 4.14Å; Y75-L79 WeakPolarHBondContact O-CB 3.21Å; Y75-L79 PolarHBondContact O-N 3.44Å; T76-L79 WeakPolarHBondContact O-CB 3.47Å; T76-L79 PolarHBondContact O-N 3.18Å; Q77-L79 VanDerWaalsContact C-N 3.32Å; Q77-L79 PolarHBondContact O-N 2.7Å; L79-G83 PolarHBondContact O-N 3.49Å; L79-G83 VanDerWaalsContact O-N 3.1Å; L79-F98 HydrophobicContact CD1-CB 4.23Å; L79-F98 HydrophobicContact CD1-CD1 3.8Å; L79-F98 HydrophobicContact CD1-CG 4.46Å; L79-F101 HydrophobicContact CD2-CB 3.9Å
80	E	93.6	Very high	86	Confident	43 Å²	43	82.4 Å²	82.4	20%	0.201	42%	0.416	C	S	.	.	H	α-helix	trans	-68.4	-54.5	173.3	-70.3	-180	148.1	0	0	112	T76 Q77 F82 G83 E84 L99 S102 K106	T76-E80 WeakPolarHBondContact O-CG 3.21Å; T76-E80 PolarHBondContact O-N 2.81Å; Q77-E80 PolarHBondContact O-N 2.95Å; E80-F82 PolarHBondContact O-N 3.41Å; E80-F82 VanDerWaalsContact O-N 3.16Å; E80-G83 CarbonylContact O-C 3.26Å; E80-G83 WeakPolarHBondContact O-CA 3.42Å; E80-G83 PolarHBondContact O-N 2.98Å; E80-E84 WeakPolarHBondContact O-CG 3.33Å; E80-E84 PolarHBondContact O-N 3.22Å; E80-L99 HydrophobicContact CB-CD2 4.38Å; E80-L99 HydrophobicContact CG-CD2 4.41Å; E80-S102 VanDerWaalsContact CG-CB 3.41Å; E80-S102 WeakPolarHBondContact CG-OG 3.23Å; E80-S102 PolarHBondContact OE1-OG 3.31Å; E80-K106 IonicContact OE1-NZ 3.79Å; E80-K106 PolarHBondContact OE1-NZ 3.19Å; E80-K106 IonicContact OE2-NZ 2.74Å; E80-K106 PolarHBondContact OE2-NZ 3.02Å
81	K	90.9	Very high	84.8	Confident	137 Å²	137	78.5 Å²	78.5	60%	0.596	40%	0.398	S	S	*	.	H	α-helix	trans	-56.8	-34.6	179.9	-168.3	170.6	-174.5	171	0	111.9	Q77 N85	Q77-K81 PolarHBondContact O-N 3.39Å; Q77-K81 VanDerWaalsContact O-N 3.08Å; K81-N85 WeakPolarHBondContact O-CB 3.34Å; K81-N85 PolarHBondContact O-N 3.43Å; K81-N85 PolarHBondContact O-ND2 3.43Å; K81-N85 VanDerWaalsContact O-ND2 3.09Å
82	F	88.3	Confident	84	Confident	108 Å²	108	77.5 Å²	77.5	47%	0.474	40%	0.397	S	S	.	.	H	α-helix	trans	-68.7	-46.8	172	-171.4	-103.7	0	0	0	112.7	A78 E80 N85 C86 F98	A78-F82 WeakPolarHBondContact O-CB 3.44Å; A78-F82 PolarHBondContact O-N 3.32Å; E80-F82 PolarHBondContact O-N 3.41Å; E80-F82 VanDerWaalsContact O-N 3.16Å; F82-N85 PolarHBondContact O-N 2.84Å; F82-C86 PolarHBondContact O-N 3.09Å; F82-C86 VanDerWaalsContact O-N 3.09Å; F82-C86 PolarHBondContact O-SG 2.76Å; F82-F98 HydrophobicContact CD1-CD1 4.25Å; F82-F98 AromaticContact CD1-CD2 3.94Å; F82-F98 HydrophobicContact CD1-CD2 3.94Å; F82-F98 HydrophobicContact CD1-CE1 4.35Å; F82-F98 HydrophobicContact CD1-CE2 4.05Å; F82-F98 HydrophobicContact CD1-CG 4.05Å; F82-F98 HydrophobicContact CD1-CZ 4.26Å; F82-F98 AromaticContact CE1-CD2 3.94Å; F82-F98 HydrophobicContact CE1-CD2 3.94Å; F82-F98 HydrophobicContact CE1-CE1 4.19Å; F82-F98 AromaticContact CE1-CE2 3.58Å; F82-F98 HydrophobicContact CE1-CE2 3.58Å; F82-F98 HydrophobicContact CE1-CG 4.4Å; F82-F98 AromaticContact CE1-CZ 3.72Å; F82-F98 HydrophobicContact CE1-CZ 3.72Å
83	G	87.9	Confident	83.1	Confident	0 Å²	0	81.9 Å²	81.9	0%	0	42%	0.421	C	S	.	.	H	α-helix	trans	-59.6	-45.3	176.7	0	0	0	0	0	113.4	L79 E80 C86 V87 G95	L79-G83 PolarHBondContact O-N 3.49Å; L79-G83 VanDerWaalsContact O-N 3.1Å; E80-G83 CarbonylContact O-C 3.26Å; E80-G83 WeakPolarHBondContact O-CA 3.42Å; E80-G83 PolarHBondContact O-N 2.98Å; G83-C86 PolarHBondContact O-N 3.49Å; G83-V87 WeakPolarHBondContact O-CG2 3.26Å; G83-V87 PolarHBondContact O-N 2.71Å; G83-G95 WeakPolarHBondContact O-CA 3.4Å
84	E	87.7	Confident	82.4	Confident	118 Å²	118	80.9 Å²	80.9	55%	0.551	42%	0.418	S	S	*	.	H	α-helix	trans	-60.2	-45.6	177.3	-68.7	178	160.9	0	0	112.1	E80 C86 V87 C88 L99	E80-E84 WeakPolarHBondContact O-CG 3.33Å; E80-E84 PolarHBondContact O-N 3.22Å; E84-C86 VanDerWaalsContact C-N 3.34Å; E84-C86 PolarHBondContact O-N 2.72Å; E84-V87 PolarHBondContact O-N 2.8Å; E84-C88 PolarHBondContact O-N 2.93Å; E84-C88 VanDerWaalsContact O-N 3.07Å; E84-L99 HydrophobicContact CG-CD2 4.12Å
85	N	84.5	Confident	82	Confident	88 Å²	88	75.9 Å²	75.9	47%	0.471	40%	0.395	S	S	.	.	H	α-helix	trans	-59.7	-42.7	175.4	-72.9	-21.8	0	0	0	111.9	K81 F82 C88 H89	K81-N85 WeakPolarHBondContact O-CB 3.34Å; K81-N85 PolarHBondContact O-N 3.43Å; K81-N85 PolarHBondContact O-ND2 3.43Å; K81-N85 VanDerWaalsContact O-ND2 3.09Å; F82-N85 PolarHBondContact O-N 2.84Å; N85-C88 PolarHBondContact O-N 3.3Å; N85-H89 PolarHBondContact O-CD2 3.33Å; N85-H89 PolarHBondContact O-N 3.16Å
86	C	79.3	Confident	81.5	Confident	25 Å²	25	71.4 Å²	71.4	17%	0.169	38%	0.383	C	S	.	.	H	α-helix	trans	-63.5	-40.1	176.9	-71.9	0	0	0	0	113	F82 G83 E84 C88 D90 D91	F82-C86 PolarHBondContact O-N 3.09Å; F82-C86 VanDerWaalsContact O-N 3.09Å; F82-C86 PolarHBondContact O-SG 2.76Å; G83-C86 PolarHBondContact O-N 3.49Å; E84-C86 VanDerWaalsContact C-N 3.34Å; E84-C86 PolarHBondContact O-N 2.72Å; C86-C88 VanDerWaalsContact C-N 3.29Å; C86-C88 PolarHBondContact O-N 3.39Å; C86-D90 PolarHBondContact O-N 3.21Å; C86-D91 PolarHBondContact O-N 3.19Å
87	V	76.6	Confident	81	Confident	68 Å²	68	71.6 Å²	71.6	41%	0.412	38%	0.384	S	S	.	.	H	α-helix	trans	-63.8	-34.5	174.9	176.7	0	0	0	0	111.9	G83 E84 L99	G83-V87 WeakPolarHBondContact O-CG2 3.26Å; G83-V87 PolarHBondContact O-N 2.71Å; E84-V87 PolarHBondContact O-N 2.8Å; V87-L99 HydrophobicContact CG2-CD1 4.42Å
88	C	60.8	Low	80.8	Confident	98 Å²	98	68.5 Å²	68.5	66%	0.662	37%	0.369	S	S	*	.	H	α-helix	trans	-79.9	-25.7	-173.9	-163.3	0	0	0	0	114.3	E84 N85 C86	E84-C88 PolarHBondContact O-N 2.93Å; E84-C88 VanDerWaalsContact O-N 3.07Å; N85-C88 PolarHBondContact O-N 3.3Å; C86-C88 VanDerWaalsContact C-N 3.29Å; C86-C88 PolarHBondContact O-N 3.39Å
89	H	54.9	Low	80.7	Confident	139 Å²	139	68 Å²	68	64%	0.644	36%	0.358	S	S	*	.	H	α-helix	trans	-112.6	-48.3	-167.6	-74.8	-70.2	0	0	0	116.4	N85	N85-H89 PolarHBondContact O-CD2 3.33Å; N85-H89 PolarHBondContact O-N 3.16Å
90	D	60.2	Low	80.5	Confident	158 Å²	158	72.2 Å²	72.2	85%	0.845	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.3	-38.3	-165.3	-66.5	-77.9	0	0	0	115.9	C86	C86-D90 PolarHBondContact O-N 3.21Å
91	D	68.4	Low	80.4	Confident	31 Å²	31	73.3 Å²	73.3	17%	0.166	38%	0.38	C	S	.	.			trans	-147	105.4	-174.6	-173.4	-26.6	0	0	0	112.1	C86 D93 L94 G95	C86-D91 PolarHBondContact O-N 3.19Å; D91-D93 PolarHBondContact OD1-N 2.93Å; D91-L94 HydrophobicContact CB-CB 3.83Å; D91-L94 HydrophobicContact CB-CD2 4.44Å; D91-L94 WeakPolarHBondContact OD1-CB 3.48Å; D91-L94 PolarHBondContact OD1-N 3.44Å; D91-L94 WeakPolarHBondContact OD2-CB 3.48Å; D91-G95 PolarHBondContact O-N 2.89Å
92	P	77.2	Confident	80.5	Confident	80 Å²	80	66.8 Å²	66.8	52%	0.519	35%	0.351	S	S	.	.	H	α-helix	trans	-74.3	-27.4	-176.8	30.6	-35.1	0	0	0	113.7	S96	P92-S96 VanDerWaalsContact O-CB 3.23Å; P92-S96 WeakPolarHBondContact O-CB 3.36Å; P92-S96 PolarHBondContact O-N 2.9Å
93	D	76.5	Confident	80.7	Confident	115 Å²	115	66.2 Å²	66.2	62%	0.615	36%	0.356	S	S	*	.	H	α-helix	trans	-76	-40.2	178.6	-81.7	-48.2	0	0	0	110.4	D91 S96 A97	D91-D93 PolarHBondContact OD1-N 2.93Å; D93-S96 PolarHBondContact O-N 2.58Å; D93-A97 PolarHBondContact O-N 3.38Å
94	L	81.1	Confident	80.9	Confident	49 Å²	49	67.8 Å²	67.8	26%	0.257	36%	0.363	S	S	.	.	H	α-helix	trans	-65.3	-44	172.5	-177.6	61.4	0	0	0	111.9	D91 S96 A97 F98 L252	D91-L94 HydrophobicContact CB-CB 3.83Å; D91-L94 HydrophobicContact CB-CD2 4.44Å; D91-L94 WeakPolarHBondContact OD1-CB 3.48Å; D91-L94 PolarHBondContact OD1-N 3.44Å; D91-L94 WeakPolarHBondContact OD2-CB 3.48Å; L94-S96 PolarHBondContact O-N 3.21Å; L94-A97 VanDerWaalsContact O-CB 3.22Å; L94-A97 WeakPolarHBondContact O-CB 3.11Å; L94-A97 PolarHBondContact O-N 2.77Å; L94-A97 VanDerWaalsContact O-N 3.13Å; L94-F98 HydrophobicContact CD1-CE2 3.75Å; L94-F98 HydrophobicContact CD1-CZ 4.3Å; L94-F98 HydrophobicContact CG-CE2 3.88Å; L94-F98 VanDerWaalsContact O-CD2 3.25Å; L94-F98 WeakPolarHBondContact O-CD2 3.36Å; L94-L252 HydrophobicContact CD1-CD1 4.31Å
95	G	84.8	Confident	81.2	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-62.8	-41	175	0	0	0	0	0	112.9	G83 D91 A97 F98 L99	G83-G95 WeakPolarHBondContact O-CA 3.4Å; D91-G95 PolarHBondContact O-N 2.89Å; G95-A97 PolarHBondContact O-N 2.86Å; G95-F98 PolarHBondContact O-N 2.94Å; G95-L99 PolarHBondContact O-N 2.93Å
96	S	84.4	Confident	81.6	Confident	40 Å²	40	63.4 Å²	63.4	28%	0.28	34%	0.34	S	S	.	.	H	α-helix	trans	-59.6	-25.7	173.1	-172.6	0	0	0	0	113.4	P92 D93 L94 K100	P92-S96 VanDerWaalsContact O-CB 3.23Å; P92-S96 WeakPolarHBondContact O-CB 3.36Å; P92-S96 PolarHBondContact O-N 2.9Å; D93-S96 PolarHBondContact O-N 2.58Å; L94-S96 PolarHBondContact O-N 3.21Å; S96-K100 WeakPolarHBondContact O-CD 3.44Å; S96-K100 WeakPolarHBondContact O-CG 3.36Å; S96-K100 PolarHBondContact O-N 2.9Å; S96-K100 PolarHBondContact OG-NZ 3.22Å
97	A	84.9	Confident	82.3	Confident	4 Å²	4	66.7 Å²	66.7	3%	0.033	35%	0.352	C	S	.	.	H	α-helix	trans	-71.3	-47.2	177.8	0	0	0	0	0	112.6	D93 L94 G95 L99 K100 F101 L248	D93-A97 PolarHBondContact O-N 3.38Å; L94-A97 VanDerWaalsContact O-CB 3.22Å; L94-A97 WeakPolarHBondContact O-CB 3.11Å; L94-A97 PolarHBondContact O-N 2.77Å; L94-A97 VanDerWaalsContact O-N 3.13Å; G95-A97 PolarHBondContact O-N 2.86Å; A97-L99 VanDerWaalsContact C-N 3.34Å; A97-L99 PolarHBondContact O-N 3.34Å; A97-K100 PolarHBondContact O-N 2.79Å; A97-F101 WeakPolarHBondContact O-CD2 3.42Å; A97-F101 PolarHBondContact O-N 3.02Å; A97-L248 HydrophobicContact CB-CD1 3.39Å; A97-L248 HydrophobicContact CB-CD2 3.73Å; A97-L248 HydrophobicContact CB-CG 4.21Å
98	F	90.3	Very high	83.2	Confident	56 Å²	56	65.4 Å²	65.4	25%	0.246	34%	0.343	C	S	.	.	H	α-helix	trans	-63.7	-39.5	180	-67.9	-68.6	0	0	0	112.1	L79 F82 L94 G95 K100 F101 S102	L79-F98 HydrophobicContact CD1-CB 4.23Å; L79-F98 HydrophobicContact CD1-CD1 3.8Å; L79-F98 HydrophobicContact CD1-CG 4.46Å; F82-F98 HydrophobicContact CD1-CD1 4.25Å; F82-F98 AromaticContact CD1-CD2 3.94Å; F82-F98 HydrophobicContact CD1-CD2 3.94Å; F82-F98 HydrophobicContact CD1-CE1 4.35Å; F82-F98 HydrophobicContact CD1-CE2 4.05Å; F82-F98 HydrophobicContact CD1-CG 4.05Å; F82-F98 HydrophobicContact CD1-CZ 4.26Å; F82-F98 AromaticContact CE1-CD2 3.94Å; F82-F98 HydrophobicContact CE1-CD2 3.94Å; F82-F98 HydrophobicContact CE1-CE1 4.19Å; F82-F98 AromaticContact CE1-CE2 3.58Å; F82-F98 HydrophobicContact CE1-CE2 3.58Å; F82-F98 HydrophobicContact CE1-CG 4.4Å; F82-F98 AromaticContact CE1-CZ 3.72Å; F82-F98 HydrophobicContact CE1-CZ 3.72Å; L94-F98 HydrophobicContact CD1-CE2 3.75Å; L94-F98 HydrophobicContact CD1-CZ 4.3Å; L94-F98 HydrophobicContact CG-CE2 3.88Å; L94-F98 VanDerWaalsContact O-CD2 3.25Å; L94-F98 WeakPolarHBondContact O-CD2 3.36Å; G95-F98 PolarHBondContact O-N 2.94Å; F98-K100 VanDerWaalsContact C-N 3.31Å; F98-K100 PolarHBondContact O-N 3.4Å; F98-F101 PolarHBondContact O-N 2.91Å; F98-S102 PolarHBondContact O-N 3.47Å
99	L	89.9	Confident	84.8	Confident	53 Å²	53	60.9 Å²	60.9	28%	0.277	31%	0.312	S	S	.	.	H	α-helix	trans	-61.1	-36	175.8	-64.5	174.8	0	0	0	113.1	E80 E84 V87 G95 A97 S102 V103	E80-L99 HydrophobicContact CB-CD2 4.38Å; E80-L99 HydrophobicContact CG-CD2 4.41Å; E84-L99 HydrophobicContact CG-CD2 4.12Å; V87-L99 HydrophobicContact CG2-CD1 4.42Å; G95-L99 PolarHBondContact O-N 2.93Å; A97-L99 VanDerWaalsContact C-N 3.34Å; A97-L99 PolarHBondContact O-N 3.34Å; L99-S102 WeakPolarHBondContact O-CB 3.45Å; L99-S102 PolarHBondContact O-N 3.16Å; L99-V103 WeakPolarHBondContact O-CG2 3.15Å; L99-V103 PolarHBondContact O-N 2.82Å; L99-V103 VanDerWaalsContact O-N 3.14Å
100	K	88.3	Confident	86.8	Confident	106 Å²	106	57 Å²	57	46%	0.461	30%	0.304	S	S	.	.	H	α-helix	trans	-67.1	-37.2	175.7	-72.3	164.1	-175	135.3	0	112.5	S96 A97 F98 F104	S96-K100 WeakPolarHBondContact O-CD 3.44Å; S96-K100 WeakPolarHBondContact O-CG 3.36Å; S96-K100 PolarHBondContact O-N 2.9Å; S96-K100 PolarHBondContact OG-NZ 3.22Å; A97-K100 PolarHBondContact O-N 2.79Å; F98-K100 VanDerWaalsContact C-N 3.31Å; F98-K100 PolarHBondContact O-N 3.4Å; K100-F104 PolarHBondContact O-N 2.92Å
101	F	91.6	Very high	88.5	Confident	67 Å²	67	51.2 Å²	51.2	29%	0.294	27%	0.273	S	S	.	.	H	α-helix	trans	-67.7	-39.6	174.1	-73.4	-61.1	0	0	0	111.8	L79 A97 F98 V103 F104 T105 L241 I245 L248	L79-F101 HydrophobicContact CD2-CB 3.9Å; A97-F101 WeakPolarHBondContact O-CD2 3.42Å; A97-F101 PolarHBondContact O-N 3.02Å; F98-F101 PolarHBondContact O-N 2.91Å; F101-V103 PolarHBondContact O-N 2.96Å; F101-F104 PolarHBondContact O-N 3.1Å; F101-T105 PolarHBondContact O-N 2.93Å; F101-T105 PolarHBondContact O-OG1 2.98Å; F101-T105 VanDerWaalsContact O-OG1 3.05Å; F101-L241 HydrophobicContact CD1-CD2 4.41Å; F101-L241 HydrophobicContact CE1-CD2 4.45Å; F101-I245 HydrophobicContact CE1-CD1 4.46Å; F101-I245 HydrophobicContact CE1-CG1 4.06Å; F101-I245 HydrophobicContact CZ-CG1 4.4Å; F101-L248 HydrophobicContact CD2-CD2 4.46Å; F101-L248 HydrophobicContact CE2-CD2 3.44Å; F101-L248 VanDerWaalsContact CE2-CD2 3.44Å; F101-L248 HydrophobicContact CZ-CD2 3.84Å
102	S	93.6	Very high	89.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-53.9	-55	172.3	163.7	0	0	0	0	112.2	T76 E80 F98 L99 F104 T105 K106	T76-S102 WeakPolarHBondContact CG2-O 3.41Å; T76-S102 WeakPolarHBondContact CG2-OG 3.49Å; E80-S102 VanDerWaalsContact CG-CB 3.41Å; E80-S102 WeakPolarHBondContact CG-OG 3.23Å; E80-S102 PolarHBondContact OE1-OG 3.31Å; F98-S102 PolarHBondContact O-N 3.47Å; L99-S102 WeakPolarHBondContact O-CB 3.45Å; L99-S102 PolarHBondContact O-N 3.16Å; S102-F104 PolarHBondContact O-N 3.49Å; S102-T105 PolarHBondContact O-N 3.17Å; S102-K106 PolarHBondContact O-N 3.3Å
103	V	92.3	Very high	90.7	Very high	95 Å²	95	52.4 Å²	52.4	58%	0.576	27%	0.269	S	S	*	.	H	α-helix	trans	-57.2	-40.7	-173.5	171	0	0	0	0	111.3	L99 F101 E107	L99-V103 WeakPolarHBondContact O-CG2 3.15Å; L99-V103 PolarHBondContact O-N 2.82Å; L99-V103 VanDerWaalsContact O-N 3.14Å; F101-V103 PolarHBondContact O-N 2.96Å; V103-E107 PolarHBondContact O-N 3.25Å; V103-E107 VanDerWaalsContact O-N 3.15Å
104	F	92	Very high	91.6	Very high	34 Å²	34	51.8 Å²	51.8	15%	0.149	27%	0.265	C	S	.	.	H	α-helix	trans	-66.2	-45	173.6	168.2	-97.4	0	0	0	112.9	K100 F101 S102 K106 E107 L108 A237 V238 L241	K100-F104 PolarHBondContact O-N 2.92Å; F101-F104 PolarHBondContact O-N 3.1Å; S102-F104 PolarHBondContact O-N 3.49Å; F104-K106 VanDerWaalsContact C-N 3.3Å; F104-K106 PolarHBondContact O-N 3.43Å; F104-E107 WeakPolarHBondContact O-CB 3.45Å; F104-E107 PolarHBondContact O-N 3.28Å; F104-E107 VanDerWaalsContact O-N 3.12Å; F104-L108 HydrophobicContact CE1-CD2 4.47Å; F104-L108 HydrophobicContact CZ-CD2 4.47Å; F104-L108 PolarHBondContact O-N 2.94Å; F104-A237 HydrophobicContact CD2-CB 4.26Å; F104-A237 HydrophobicContact CE2-CB 3.9Å; F104-V238 HydrophobicContact CE2-CG2 3.92Å; F104-V238 HydrophobicContact CZ-CG2 3.74Å; F104-L241 HydrophobicContact CB-CD1 4.26Å; F104-L241 HydrophobicContact CB-CD2 4.07Å; F104-L241 HydrophobicContact CD1-CD2 3.6Å; F104-L241 HydrophobicContact CD2-CB 3.92Å; F104-L241 HydrophobicContact CD2-CD2 3.93Å; F104-L241 HydrophobicContact CD2-CG 4.44Å; F104-L241 HydrophobicContact CE1-CD2 4Å; F104-L241 HydrophobicContact CE2-CB 4.37Å; F104-L241 HydrophobicContact CE2-CD2 4.3Å; F104-L241 HydrophobicContact CG-CB 4.3Å; F104-L241 HydrophobicContact CG-CD2 3.56Å; F104-L241 HydrophobicContact CG-CG 4.33Å; F104-L241 HydrophobicContact CZ-CD2 4.33Å
105	T	93.1	Very high	92.3	Very high	17 Å²	17	50 Å²	50	10%	0.104	26%	0.256	C	S	.	.	H	α-helix	trans	-62.2	-39.5	178.7	-56.3	0	0	0	0	111	E72 Y75 T76 F101 S102 E107 L108 T109	E72-T105 HydrophobicContact CG-CG2 3.72Å; Y75-T105 HydrophobicContact CD1-CG2 4.14Å; Y75-T105 HydrophobicContact CE1-CG2 4.24Å; T76-T105 WeakPolarHBondContact OG1-CG2 3.46Å; F101-T105 PolarHBondContact O-N 2.93Å; F101-T105 PolarHBondContact O-OG1 2.98Å; F101-T105 VanDerWaalsContact O-OG1 3.05Å; S102-T105 PolarHBondContact O-N 3.17Å; T105-E107 PolarHBondContact O-N 3.07Å; T105-L108 PolarHBondContact O-N 3.26Å; T105-T109 WeakPolarHBondContact O-CB 3.18Å; T105-T109 PolarHBondContact O-N 2.9Å; T105-T109 PolarHBondContact O-OG1 3.02Å
106	K	94.2	Very high	92.9	Very high	97 Å²	97	51 Å²	51	42%	0.422	26%	0.261	S	S	.	.	H	α-helix	trans	-57.6	-42.7	170.7	-102.2	163.3	-174.4	-177.4	0	113	T76 E80 S102 F104 A110	T76-K106 HydrophobicContact CG2-CB 4.4Å; T76-K106 HydrophobicContact CG2-CD 3.99Å; T76-K106 HydrophobicContact CG2-CG 3.76Å; E80-K106 IonicContact OE1-NZ 3.79Å; E80-K106 PolarHBondContact OE1-NZ 3.19Å; E80-K106 IonicContact OE2-NZ 2.74Å; E80-K106 PolarHBondContact OE2-NZ 3.02Å; S102-K106 PolarHBondContact O-N 3.3Å; F104-K106 VanDerWaalsContact C-N 3.3Å; F104-K106 PolarHBondContact O-N 3.43Å; K106-A110 PolarHBondContact O-N 3.46Å; K106-A110 VanDerWaalsContact O-N 3.11Å
107	E	93.8	Very high	93.3	Very high	94 Å²	94	53 Å²	53	44%	0.439	27%	0.265	S	S	.	.	H	α-helix	trans	-62.7	-46.5	176.5	-172.2	175.1	-162.2	0	0	111.3	V103 F104 T105 A110 L111 A237	V103-E107 PolarHBondContact O-N 3.25Å; V103-E107 VanDerWaalsContact O-N 3.15Å; F104-E107 WeakPolarHBondContact O-CB 3.45Å; F104-E107 PolarHBondContact O-N 3.28Å; F104-E107 VanDerWaalsContact O-N 3.12Å; T105-E107 PolarHBondContact O-N 3.07Å; E107-A110 PolarHBondContact O-N 2.91Å; E107-L111 PolarHBondContact O-N 3.14Å; E107-A237 HydrophobicContact CG-CB 4.22Å
108	L	94.1	Very high	93.8	Very high	40 Å²	40	54.9 Å²	54.9	21%	0.209	28%	0.275	C	S	.	.	H	α-helix	trans	-64.1	-43.5	177.5	-175.3	61.9	0	0	0	112.5	F104 T105 A110 L111 F112	F104-L108 HydrophobicContact CE1-CD2 4.47Å; F104-L108 HydrophobicContact CZ-CD2 4.47Å; F104-L108 PolarHBondContact O-N 2.94Å; T105-L108 PolarHBondContact O-N 3.26Å; L108-A110 VanDerWaalsContact C-N 3.3Å; L108-A110 PolarHBondContact O-N 3.37Å; L108-L111 WeakPolarHBondContact O-CB 3.42Å; L108-L111 PolarHBondContact O-N 3.31Å; L108-L111 VanDerWaalsContact O-N 3.11Å; L108-F112 HydrophobicContact CD1-CD2 4.47Å; L108-F112 HydrophobicContact CD1-CE2 4.13Å; L108-F112 HydrophobicContact CD2-CE2 4.25Å; L108-F112 HydrophobicContact CG-CD2 4.12Å; L108-F112 HydrophobicContact CG-CE2 3.88Å; L108-F112 PolarHBondContact O-N 3.41Å; L108-F112 VanDerWaalsContact O-N 3.08Å
109	T	95.4	Very high	94	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.018	27%	0.266	C	S	.	.	H	α-helix	trans	-56.6	-43.5	177.1	-56.6	0	0	0	0	111.3	V69 E72 E73 T105 L111 F112 K113	V69-T109 HydrophobicContact CG1-CG2 3.89Å; E72-T109 HydrophobicContact CB-CG2 4.18Å; E72-T109 HydrophobicContact CG-CG2 4.49Å; E72-T109 WeakPolarHBondContact CG-OG1 3.45Å; E72-T109 PolarHBondContact OE2-OG1 3.16Å; E73-T109 HydrophobicContact CG-CG2 3.5Å; T105-T109 WeakPolarHBondContact O-CB 3.18Å; T105-T109 PolarHBondContact O-N 2.9Å; T105-T109 PolarHBondContact O-OG1 3.02Å; T109-L111 VanDerWaalsContact C-N 3.34Å; T109-L111 PolarHBondContact O-N 3.38Å; T109-F112 PolarHBondContact O-N 2.86Å; T109-K113 WeakPolarHBondContact O-CB 3.3Å; T109-K113 PolarHBondContact O-N 3.23Å
110	A	95.8	Very high	94.2	Very high	58 Å²	58	52.2 Å²	52.2	48%	0.479	26%	0.263	S	S	.	.	H	α-helix	trans	-64.2	-36.6	178	0	0	0	0	0	112.7	K106 E107 L108 K113 N114	K106-A110 PolarHBondContact O-N 3.46Å; K106-A110 VanDerWaalsContact O-N 3.11Å; E107-A110 PolarHBondContact O-N 2.91Å; L108-A110 VanDerWaalsContact C-N 3.3Å; L108-A110 PolarHBondContact O-N 3.37Å; A110-K113 PolarHBondContact O-N 2.79Å; A110-N114 PolarHBondContact O-N 2.77Å; A110-N114 VanDerWaalsContact O-N 3.1Å
111	L	96.2	Very high	94.5	Very high	36 Å²	36	51.3 Å²	51.3	19%	0.188	26%	0.263	C	S	.	.	H	α-helix	trans	-65.5	-42.7	174.3	-64.5	174.3	0	0	0	111.4	E107 L108 T109 N114 L115 F230 D233	E107-L111 PolarHBondContact O-N 3.14Å; L108-L111 WeakPolarHBondContact O-CB 3.42Å; L108-L111 PolarHBondContact O-N 3.31Å; L108-L111 VanDerWaalsContact O-N 3.11Å; T109-L111 VanDerWaalsContact C-N 3.34Å; T109-L111 PolarHBondContact O-N 3.38Å; L111-N114 PolarHBondContact O-N 2.74Å; L111-L115 PolarHBondContact O-N 3.47Å; L111-F230 HydrophobicContact CB-CD2 3.77Å; L111-F230 HydrophobicContact CB-CE2 3.78Å; L111-F230 WeakPolarHBondContact O-CD2 3.33Å; L111-D233 HydrophobicContact CD1-CB 4.21Å; L111-D233 HydrophobicContact CD2-CB 3.9Å
112	F	96.2	Very high	94.7	Very high	40 Å²	40	49.4 Å²	49.4	18%	0.175	26%	0.256	C	S	.	.	H	α-helix	trans	-61.7	-46.2	174.3	-82.9	-62.3	0	0	0	112	V69 L108 T109 N114 L115 F116 F230	V69-F112 HydrophobicContact CG2-CB 3.7Å; L108-F112 HydrophobicContact CD1-CD2 4.47Å; L108-F112 HydrophobicContact CD1-CE2 4.13Å; L108-F112 HydrophobicContact CD2-CE2 4.25Å; L108-F112 HydrophobicContact CG-CD2 4.12Å; L108-F112 HydrophobicContact CG-CE2 3.88Å; L108-F112 PolarHBondContact O-N 3.41Å; L108-F112 VanDerWaalsContact O-N 3.08Å; T109-F112 PolarHBondContact O-N 2.86Å; F112-N114 VanDerWaalsContact C-N 3.26Å; F112-N114 PolarHBondContact O-N 3.12Å; F112-L115 PolarHBondContact O-N 3.15Å; F112-L115 VanDerWaalsContact O-N 3.09Å; F112-F116 HydrophobicContact CB-CD2 4.35Å; F112-F116 HydrophobicContact CB-CE2 3.99Å; F112-F116 AromaticContact CD1-CE2 3.9Å; F112-F116 HydrophobicContact CD1-CE2 3.9Å; F112-F116 HydrophobicContact CD1-CZ 4.17Å; F112-F116 HydrophobicContact CG-CE2 4.33Å; F112-F116 WeakPolarHBondContact O-CD2 3.46Å; F112-F116 PolarHBondContact O-N 3.28Å; F112-F230 AromaticContact CD1-CE2 3.71Å; F112-F230 HydrophobicContact CD1-CE2 3.71Å; F112-F230 AromaticContact CD1-CZ 3.6Å; F112-F230 HydrophobicContact CD1-CZ 3.6Å; F112-F230 HydrophobicContact CD2-CE2 4.45Å; F112-F230 HydrophobicContact CD2-CZ 4.48Å; F112-F230 HydrophobicContact CE1-CE1 4.23Å; F112-F230 HydrophobicContact CE1-CE2 4.01Å; F112-F230 AromaticContact CE1-CZ 3.39Å; F112-F230 HydrophobicContact CE1-CZ 3.39Å; F112-F230 HydrophobicContact CE2-CZ 4.32Å; F112-F230 AromaticContact CG-CE2 3.95Å; F112-F230 HydrophobicContact CG-CE2 3.95Å; F112-F230 HydrophobicContact CG-CZ 4.15Å; F112-F230 AromaticContact CZ-CZ 3.79Å; F112-F230 HydrophobicContact CZ-CZ 3.79Å
113	K	95.4	Very high	94.8	Very high	97 Å²	97	49.6 Å²	49.6	42%	0.422	26%	0.257	S	S	.	.	H	α-helix	trans	-55.4	-42	177.6	-154.6	163.5	-162.7	164.4	0	111.4	V69 E73 T109 A110 Q117	V69-K113 HydrophobicContact CG1-CB 4.1Å; V69-K113 HydrophobicContact CG1-CD 3.85Å; V69-K113 HydrophobicContact CG1-CG 3.98Å; V69-K113 HydrophobicContact CG2-CB 4.39Å; E73-K113 IonicContact OE1-NZ 3.16Å; E73-K113 PolarHBondContact OE1-NZ 3.07Å; E73-K113 IonicContact OE2-NZ 3.17Å; E73-K113 PolarHBondContact OE2-NZ 3.29Å; T109-K113 WeakPolarHBondContact O-CB 3.3Å; T109-K113 PolarHBondContact O-N 3.23Å; A110-K113 PolarHBondContact O-N 2.79Å; K113-Q117 PolarHBondContact O-N 2.95Å; K113-Q117 VanDerWaalsContact O-N 3.16Å
114	N	96.1	Very high	94.9	Very high	101 Å²	101	45.7 Å²	45.7	54%	0.54	23%	0.233	S	C	.	.	H	α-helix	trans	-65.9	-46.3	174.6	-165.1	-39.1	0	0	0	112.4	A110 L111 F112 F116 Q117 N118	A110-N114 PolarHBondContact O-N 2.77Å; A110-N114 VanDerWaalsContact O-N 3.1Å; L111-N114 PolarHBondContact O-N 2.74Å; F112-N114 VanDerWaalsContact C-N 3.26Å; F112-N114 PolarHBondContact O-N 3.12Å; N114-F116 PolarHBondContact O-N 3.38Å; N114-Q117 PolarHBondContact O-N 3.46Å; N114-N118 PolarHBondContact O-N 2.93Å; N114-N118 PolarHBondContact O-ND2 2.85Å; N114-N118 PolarHBondContact OD1-ND2 3.17Å
115	L	96.8	Very high	95	Very high	13 Å²	13	51.1 Å²	51.1	7%	0.068	26%	0.257	C	S	.	.	H	α-helix	trans	-60.8	-43.6	178.8	178.6	61	0	0	0	112.6	L111 F112 N118 M119 Y223 Q227 F230	L111-L115 PolarHBondContact O-N 3.47Å; F112-L115 PolarHBondContact O-N 3.15Å; F112-L115 VanDerWaalsContact O-N 3.09Å; L115-N118 WeakPolarHBondContact O-CB 3.42Å; L115-N118 PolarHBondContact O-N 3.07Å; L115-M119 PolarHBondContact O-N 3.3Å; L115-Y223 HydrophobicContact CD1-CE2 3.91Å; L115-Q227 HydrophobicContact CD1-CG 3.83Å; L115-F230 HydrophobicContact CB-CB 4.48Å; L115-F230 HydrophobicContact CB-CD2 4.04Å; L115-F230 HydrophobicContact CB-CG 4.31Å; L115-F230 HydrophobicContact CD1-CB 4.45Å; L115-F230 HydrophobicContact CD2-CB 4.29Å; L115-F230 HydrophobicContact CD2-CD1 3.86Å; L115-F230 HydrophobicContact CD2-CD2 4.08Å; L115-F230 HydrophobicContact CD2-CE1 4.25Å; L115-F230 HydrophobicContact CD2-CE2 4.45Å; L115-F230 HydrophobicContact CD2-CG 3.79Å
116	F	95.8	Very high	95.1	Very high	21 Å²	21	52 Å²	52	9%	0.092	26%	0.263	C	S	.	.	H	α-helix	trans	-70.1	-34.6	178.7	-64.2	-54.3	0	0	0	112.5	Y62 G65 V69 F112 N114 N118 M119 N120	Y62-F116 HydrophobicContact CD2-CB 4.12Å; Y62-F116 VanDerWaalsContact CD2-O 3.26Å; Y62-F116 WeakPolarHBondContact CD2-O 3.37Å; Y62-F116 HydrophobicContact CE2-CB 4.34Å; Y62-F116 WeakPolarHBondContact CE2-O 3.46Å; G65-F116 WeakPolarHBondContact O-CD2 3.49Å; G65-F116 WeakPolarHBondContact O-CE2 3.29Å; V69-F116 HydrophobicContact CG2-CD2 4.04Å; V69-F116 HydrophobicContact CG2-CE2 4.2Å; F112-F116 HydrophobicContact CB-CD2 4.35Å; F112-F116 HydrophobicContact CB-CE2 3.99Å; F112-F116 AromaticContact CD1-CE2 3.9Å; F112-F116 HydrophobicContact CD1-CE2 3.9Å; F112-F116 HydrophobicContact CD1-CZ 4.17Å; F112-F116 HydrophobicContact CG-CE2 4.33Å; F112-F116 WeakPolarHBondContact O-CD2 3.46Å; F112-F116 PolarHBondContact O-N 3.28Å; N114-F116 PolarHBondContact O-N 3.38Å; F116-N118 VanDerWaalsContact C-N 3.33Å; F116-N118 PolarHBondContact O-N 3.05Å; F116-M119 WeakPolarHBondContact O-CB 3.49Å; F116-M119 PolarHBondContact O-N 3.22Å; F116-N120 PolarHBondContact O-N 3.34Å; F116-N120 VanDerWaalsContact O-N 3.12Å
117	Q	94.3	Very high	95.1	Very high	81 Å²	81	47.5 Å²	47.5	38%	0.379	24%	0.244	S	C	.	.	H	α-helix	trans	-64.2	-38.6	171.5	-168	61.2	45.5	0	0	111.9	K113 N114 N120 N121	K113-Q117 PolarHBondContact O-N 2.95Å; K113-Q117 VanDerWaalsContact O-N 3.16Å; N114-Q117 PolarHBondContact O-N 3.46Å; Q117-N120 PolarHBondContact O-N 3.39Å; Q117-N121 PolarHBondContact NE2-OD1 2.92Å; Q117-N121 WeakPolarHBondContact O-CB 3.41Å; Q117-N121 VanDerWaalsContact O-CG 3.25Å; Q117-N121 PolarHBondContact O-N 3.3Å; Q117-N121 PolarHBondContact O-OD1 3.32Å
118	N	95	Very high	95.1	Very high	43 Å²	43	44.5 Å²	44.5	23%	0.23	23%	0.231	C	C	.	.	H	α-helix	trans	-63.2	-41.5	172.9	-78.4	-57	0	0	0	112.4	N114 L115 F116 N120 N121 I122 A226	N114-N118 PolarHBondContact O-N 2.93Å; N114-N118 PolarHBondContact O-ND2 2.85Å; N114-N118 PolarHBondContact OD1-ND2 3.17Å; L115-N118 WeakPolarHBondContact O-CB 3.42Å; L115-N118 PolarHBondContact O-N 3.07Å; F116-N118 VanDerWaalsContact C-N 3.33Å; F116-N118 PolarHBondContact O-N 3.05Å; N118-N120 VanDerWaalsContact C-N 3.3Å; N118-N120 PolarHBondContact O-N 3.04Å; N118-N121 PolarHBondContact O-N 3.01Å; N118-I122 HydrophobicContact CB-CD1 4Å; N118-I122 WeakPolarHBondContact O-CB 3.2Å; N118-I122 VanDerWaalsContact O-CG1 3.26Å; N118-I122 WeakPolarHBondContact O-CG1 3.46Å; N118-I122 PolarHBondContact O-N 2.71Å; N118-A226 HydrophobicContact CB-CB 4.12Å
119	M	94.6	Very high	95.1	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.059	24%	0.242	C	C	.	.	H	α-helix	trans	-56.1	-45.3	173.6	-178.8	65.8	106.9	0	0	111.6	V58 I61 L115 F116 I123 T124 Y223	V58-M119 HydrophobicContact CG1-CG 3.99Å; V58-M119 HydrophobicContact CG1-SD 3.77Å; I61-M119 HydrophobicContact CG2-CE 3.93Å; L115-M119 PolarHBondContact O-N 3.3Å; F116-M119 WeakPolarHBondContact O-CB 3.49Å; F116-M119 PolarHBondContact O-N 3.22Å; M119-I123 WeakPolarHBondContact O-CB 3.37Å; M119-I123 PolarHBondContact O-N 3.14Å; M119-I123 HydrophobicContact SD-CB 4.03Å; M119-I123 HydrophobicContact SD-CG1 3.96Å; M119-T124 PolarHBondContact O-N 2.84Å; M119-T124 VanDerWaalsContact O-N 3.13Å; M119-Y223 HydrophobicContact CB-CD2 4.34Å; M119-Y223 HydrophobicContact CB-CE2 3.7Å; M119-Y223 HydrophobicContact CE-CE1 3.72Å; M119-Y223 HydrophobicContact CE-CE2 4.22Å; M119-Y223 WeakPolarHBondContact CE-OH 3.49Å; M119-Y223 HydrophobicContact CG-CE2 4.33Å; M119-Y223 HydrophobicContact SD-CD1 4.32Å; M119-Y223 HydrophobicContact SD-CD2 4.19Å; M119-Y223 HydrophobicContact SD-CE1 3.94Å; M119-Y223 HydrophobicContact SD-CE2 3.81Å; M119-Y223 HydrophobicContact SD-CG 4.45Å
120	N	93.6	Very high	95	Very high	42 Å²	42	46 Å²	46	23%	0.225	24%	0.244	C	C	.	.	I	π-helix	trans	-65.9	-49.2	179	-174.9	56.4	0	0	0	112.6	Y62 F116 Q117 N118 T124 F125	Y62-N120 HydrophobicContact CD2-CB 3.96Å; Y62-N120 HydrophobicContact CE1-CB 4.3Å; Y62-N120 HydrophobicContact CE2-CB 3.65Å; Y62-N120 HydrophobicContact CG-CB 4.42Å; F116-N120 PolarHBondContact O-N 3.34Å; F116-N120 VanDerWaalsContact O-N 3.12Å; Q117-N120 PolarHBondContact O-N 3.39Å; N118-N120 VanDerWaalsContact C-N 3.3Å; N118-N120 PolarHBondContact O-N 3.04Å; N120-T124 WeakPolarHBondContact O-CB 3.41Å; N120-T124 PolarHBondContact O-N 3.14Å; N120-F125 PolarHBondContact O-N 3.22Å
121	N	95	Very high	94.9	Very high	86 Å²	86	43.5 Å²	43.5	46%	0.46	22%	0.222	S	C	.	.	I	π-helix	trans	-69.3	-41.1	-175.9	-67.8	-1.9	0	0	0	112.5	Q117 N118	Q117-N121 PolarHBondContact NE2-OD1 2.92Å; Q117-N121 WeakPolarHBondContact O-CB 3.41Å; Q117-N121 VanDerWaalsContact O-CG 3.25Å; Q117-N121 PolarHBondContact O-N 3.3Å; Q117-N121 PolarHBondContact O-OD1 3.32Å; N118-N121 PolarHBondContact O-N 3.01Å
122	I	96.6	Very high	94.7	Very high	28 Å²	28	47.8 Å²	47.8	14%	0.144	24%	0.24	C	C	.	.	I	π-helix	trans	-89.7	-37.6	-171.2	-57.2	173	0	0	0	111.9	N118 P126 N219 K222	N118-I122 HydrophobicContact CB-CD1 4Å; N118-I122 WeakPolarHBondContact O-CB 3.2Å; N118-I122 VanDerWaalsContact O-CG1 3.26Å; N118-I122 WeakPolarHBondContact O-CG1 3.46Å; N118-I122 PolarHBondContact O-N 2.71Å; I122-P126 WeakPolarHBondContact O-CD 3.28Å; I122-P126 WeakPolarHBondContact O-CG 3.48Å; I122-N219 HydrophobicContact CG2-CB 4.12Å; I122-N219 WeakPolarHBondContact CG2-O 3.32Å; I122-N219 WeakPolarHBondContact O-CB 3.44Å; I122-K222 HydrophobicContact CD1-CB 4.33Å; I122-K222 HydrophobicContact CG2-CB 3.77Å; I122-K222 HydrophobicContact CG2-CD 4.39Å
123	I	95.7	Very high	94.3	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.015	25%	0.252	C	S	.	.	I	π-helix	trans	-109.4	-50.7	-174.1	-52.6	-60.5	0	0	0	112.1	V58 M119 L127 N219 L220 Y223	V58-I123 HydrophobicContact CG1-CB 4.28Å; V58-I123 HydrophobicContact CG1-CG2 3.91Å; V58-I123 HydrophobicContact CG2-CG2 3.92Å; M119-I123 WeakPolarHBondContact O-CB 3.37Å; M119-I123 PolarHBondContact O-N 3.14Å; M119-I123 HydrophobicContact SD-CB 4.03Å; M119-I123 HydrophobicContact SD-CG1 3.96Å; I123-L127 HydrophobicContact CG2-CD1 3.79Å; I123-L127 HydrophobicContact CG2-CG 4.48Å; I123-L127 WeakPolarHBondContact O-CB 3.3Å; I123-L127 WeakPolarHBondContact O-CG 3.32Å; I123-L127 PolarHBondContact O-N 3.06Å; I123-N219 HydrophobicContact CD1-CB 4.31Å; I123-N219 WeakPolarHBondContact CD1-O 3.5Å; I123-L220 HydrophobicContact CD1-CD2 4Å; I123-L220 HydrophobicContact CD1-CG 4.32Å; I123-Y223 HydrophobicContact CD1-CG 4.35Å; I123-Y223 HydrophobicContact CG1-CD1 4.34Å; I123-Y223 HydrophobicContact CG1-CD2 4.39Å; I123-Y223 HydrophobicContact CG1-CG 3.89Å
124	T	94.1	Very high	94	Very high	13 Å²	13	44.7 Å²	44.7	8%	0.08	24%	0.239	C	C	.	.	I	π-helix	trans	-64.9	-49.4	-173.9	-53.5	0	0	0	0	112.1	V58 M119 N120 L127 D128	V58-T124 WeakPolarHBondContact CG1-OG1 3.48Å; M119-T124 PolarHBondContact O-N 2.84Å; M119-T124 VanDerWaalsContact O-N 3.13Å; N120-T124 WeakPolarHBondContact O-CB 3.41Å; N120-T124 PolarHBondContact O-N 3.14Å; T124-L127 PolarHBondContact O-N 2.79Å; T124-D128 WeakPolarHBondContact O-CB 3.44Å; T124-D128 PolarHBondContact O-N 2.89Å
125	F	94.1	Very high	93.7	Very high	149 Å²	149	39.9 Å²	39.9	65%	0.654	21%	0.214	S	C	*	.	H	α-helix	trans	-62.8	-48	-177	176.9	-92	0	0	0	113.3	N120 L127 D128 S129	N120-F125 PolarHBondContact O-N 3.22Å; F125-L127 PolarHBondContact O-N 3.31Å; F125-D128 PolarHBondContact O-N 2.85Å; F125-S129 WeakPolarHBondContact O-CB 3.33Å; F125-S129 PolarHBondContact O-N 3.22Å
126	P	94.4	Very high	93.1	Very high	36 Å²	36	46.8 Å²	46.8	23%	0.234	24%	0.243	C	C	.	.	H	α-helix	trans	-63.3	-39.2	175.7	-27.7	39.4	0	0	0	114.1	I122 D128 S129 L130	I122-P126 WeakPolarHBondContact O-CD 3.28Å; I122-P126 WeakPolarHBondContact O-CG 3.48Å; P126-D128 VanDerWaalsContact C-N 3.34Å; P126-D128 PolarHBondContact O-N 2.93Å; P126-S129 PolarHBondContact O-N 2.94Å; P126-L130 WeakPolarHBondContact O-CB 3.46Å; P126-L130 PolarHBondContact O-N 3.06Å
127	L	94.9	Very high	92.1	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-62.7	-40.7	174.2	-78.2	176.5	0	0	0	111.9	L51 M54 K55 V58 I123 T124 F125 L131 L216	L51-L127 HydrophobicContact CD2-CD2 4.01Å; M54-L127 HydrophobicContact CE-CD1 4.26Å; M54-L127 HydrophobicContact CG-CD1 4.09Å; M54-L127 HydrophobicContact SD-CD1 4.11Å; M54-L127 HydrophobicContact SD-CD2 4.18Å; K55-L127 HydrophobicContact CB-CB 4.43Å; K55-L127 HydrophobicContact CB-CD1 4.38Å; K55-L127 HydrophobicContact CG-CB 4.48Å; V58-L127 HydrophobicContact CG2-CD1 4.48Å; I123-L127 HydrophobicContact CG2-CD1 3.79Å; I123-L127 HydrophobicContact CG2-CG 4.48Å; I123-L127 WeakPolarHBondContact O-CB 3.3Å; I123-L127 WeakPolarHBondContact O-CG 3.32Å; I123-L127 PolarHBondContact O-N 3.06Å; T124-L127 PolarHBondContact O-N 2.79Å; F125-L127 PolarHBondContact O-N 3.31Å; L127-L131 WeakPolarHBondContact O-CB 3.47Å; L127-L131 WeakPolarHBondContact O-CD1 3.39Å; L127-L131 WeakPolarHBondContact O-CG 3.49Å; L127-L131 PolarHBondContact O-N 3Å; L127-L216 HydrophobicContact CD2-CD1 3.72Å; L127-L216 HydrophobicContact CD2-CD2 4.16Å; L127-L216 HydrophobicContact CG-CD1 4.16Å
128	D	94	Very high	91.4	Very high	31 Å²	31	42.9 Å²	42.9	17%	0.166	23%	0.23	C	C	.	.	H	α-helix	trans	-70.2	-38.1	179.6	-141.6	-13.9	0	0	0	111.8	K55 T124 F125 P126 L131 K132	K55-D128 WeakPolarHBondContact CE-OD1 3.38Å; K55-D128 VanDerWaalsContact CE-OD2 3.28Å; K55-D128 WeakPolarHBondContact CE-OD2 3.13Å; K55-D128 IonicContact NZ-OD1 3.95Å; K55-D128 PolarHBondContact NZ-OD1 2.83Å; K55-D128 IonicContact NZ-OD2 3.63Å; K55-D128 PolarHBondContact NZ-OD2 2.95Å; T124-D128 WeakPolarHBondContact O-CB 3.44Å; T124-D128 PolarHBondContact O-N 2.89Å; F125-D128 PolarHBondContact O-N 2.85Å; P126-D128 VanDerWaalsContact C-N 3.34Å; P126-D128 PolarHBondContact O-N 2.93Å; D128-L131 PolarHBondContact O-N 3.45Å; D128-K132 VanDerWaalsContact O-CB 3.27Å; D128-K132 WeakPolarHBondContact O-CB 3.27Å; D128-K132 WeakPolarHBondContact O-CG 3.49Å; D128-K132 PolarHBondContact O-N 2.89Å; D128-K132 WeakPolarHBondContact OD1-CD 3.46Å; D128-K132 WeakPolarHBondContact OD1-CE 3.33Å; D128-K132 WeakPolarHBondContact OD1-CG 3.34Å; D128-K132 IonicContact OD1-NZ 3.56Å; D128-K132 PolarHBondContact OD1-NZ 3.25Å; D128-K132 IonicContact OD2-NZ 3.92Å; D128-K132 PolarHBondContact OD2-NZ 3.2Å
129	S	93.6	Very high	90	Very high	64 Å²	64	47.8 Å²	47.8	45%	0.448	25%	0.249	S	C	.	.	H	α-helix	trans	-60	-48.7	172.1	-171.4	0	0	0	0	111.9	F125 P126 L131 G133	F125-S129 WeakPolarHBondContact O-CB 3.33Å; F125-S129 PolarHBondContact O-N 3.22Å; P126-S129 PolarHBondContact O-N 2.94Å; S129-L131 PolarHBondContact O-N 2.76Å; S129-G133 VanDerWaalsContact O-CA 3.26Å; S129-G133 WeakPolarHBondContact O-CA 3.21Å; S129-G133 PolarHBondContact O-N 3.2Å
130	L	93.5	Very high	89.1	Confident	10 Å²	10	48.8 Å²	48.8	5%	0.052	26%	0.263	C	S	.	.	H	α-helix	trans	-62.5	-40.3	178.1	178.5	57.9	0	0	0	112.7	L51 P126 D134 L135 K211 K212	L51-L130 HydrophobicContact CD1-CD2 4Å; P126-L130 WeakPolarHBondContact O-CB 3.46Å; P126-L130 PolarHBondContact O-N 3.06Å; L130-D134 HydrophobicContact CD1-CB 4.34Å; L130-L135 HydrophobicContact CD1-CD1 4.21Å; L130-L135 HydrophobicContact CD1-CG 4.12Å; L130-L135 HydrophobicContact CG-CD1 3.94Å; L130-L135 HydrophobicContact CG-CG 4.34Å; L130-L135 WeakPolarHBondContact O-CB 3.32Å; L130-L135 PolarHBondContact O-N 2.78Å; L130-K211 HydrophobicContact CD1-CB 3.97Å; L130-K212 HydrophobicContact CD2-CB 3.92Å
131	L	93.6	Very high	88.6	Confident	6 Å²	6	51.8 Å²	51.8	3%	0.031	28%	0.279	C	S	.	.	H	α-helix	trans	-78.9	-31.6	-177.1	-75.9	165.5	0	0	0	114.6	R48 L51 Y52 K55 L127 D128 S129 L135	R48-L131 HydrophobicContact CG-CD2 4.27Å; R48-L131 PolarHBondContact NH1-O 3.21Å; L51-L131 HydrophobicContact CB-CD1 4.46Å; L51-L131 HydrophobicContact CB-CD2 3.96Å; L51-L131 HydrophobicContact CB-CG 4.4Å; Y52-L131 HydrophobicContact CD2-CD1 4.44Å; K55-L131 HydrophobicContact CB-CD1 3.83Å; K55-L131 HydrophobicContact CD-CD1 3.71Å; K55-L131 HydrophobicContact CG-CD1 4.3Å; L127-L131 WeakPolarHBondContact O-CB 3.47Å; L127-L131 WeakPolarHBondContact O-CD1 3.39Å; L127-L131 WeakPolarHBondContact O-CG 3.49Å; L127-L131 PolarHBondContact O-N 3Å; D128-L131 PolarHBondContact O-N 3.45Å; S129-L131 PolarHBondContact O-N 2.76Å; L131-L135 HydrophobicContact CD2-CD1 4.11Å
132	K	91.9	Very high	88.2	Confident	127 Å²	127	49.4 Å²	49.4	55%	0.552	27%	0.266	S	S	*	.	H	α-helix	trans	-95.2	-25.4	178.7	-69.8	171.9	172.3	154	0	113.6	D128 K136	D128-K132 VanDerWaalsContact O-CB 3.27Å; D128-K132 WeakPolarHBondContact O-CB 3.27Å; D128-K132 WeakPolarHBondContact O-CG 3.49Å; D128-K132 PolarHBondContact O-N 2.89Å; D128-K132 WeakPolarHBondContact OD1-CD 3.46Å; D128-K132 WeakPolarHBondContact OD1-CE 3.33Å; D128-K132 WeakPolarHBondContact OD1-CG 3.34Å; D128-K132 IonicContact OD1-NZ 3.56Å; D128-K132 PolarHBondContact OD1-NZ 3.25Å; D128-K132 IonicContact OD2-NZ 3.92Å; D128-K132 PolarHBondContact OD2-NZ 3.2Å; K132-K136 WeakPolarHBondContact O-CB 3.46Å; K132-K136 WeakPolarHBondContact O-CD 3.49Å
133	G	88.3	Confident	87.8	Confident	42 Å²	42	49.8 Å²	49.8	43%	0.433	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-103.6	173	0	0	0	0	0	110.4	S129 L135 K136	S129-G133 VanDerWaalsContact O-CA 3.26Å; S129-G133 WeakPolarHBondContact O-CA 3.21Å; S129-G133 PolarHBondContact O-N 3.2Å; G133-L135 VanDerWaalsContact C-N 3.32Å; G133-L135 PolarHBondContact O-N 2.9Å; G133-L135 VanDerWaalsContact O-N 3.16Å; G133-K136 VanDerWaalsContact O-CB 3.3Å; G133-K136 WeakPolarHBondContact O-CB 3.27Å; G133-K136 PolarHBondContact O-N 3.15Å
134	D	88.8	Confident	87.7	Confident	30 Å²	30	56.2 Å²	56.2	16%	0.16	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-29.7	-163.2	-53.4	-79.6	0	0	0	115.5	L130 K204 I208 K211	L130-D134 HydrophobicContact CD1-CB 4.34Å; D134-K204 IonicContact OD1-NZ 2.69Å; D134-K204 PolarHBondContact OD1-NZ 3.39Å; D134-I208 HydrophobicContact CB-CD1 4.47Å; D134-I208 HydrophobicContact CB-CG1 3.82Å; D134-K211 IonicContact OD1-NZ 2.64Å; D134-K211 PolarHBondContact OD1-NZ 3.47Å; D134-K211 WeakPolarHBondContact OD2-CD 3.47Å; D134-K211 IonicContact OD2-NZ 3.6Å; D134-K211 PolarHBondContact OD2-NZ 3.36Å
135	L	89.9	Confident	87.7	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-4.5	176	-65.8	174.2	0	0	0	113.9	L44 R48 L51 L130 L131 G133 G137 V138 I208	L44-L135 HydrophobicContact CD2-CD2 4.19Å; R48-L135 HydrophobicContact CB-CD1 4.4Å; R48-L135 PolarHBondContact NH1-O 3.08Å; L51-L135 HydrophobicContact CD1-CD1 3.72Å; L130-L135 HydrophobicContact CD1-CD1 4.21Å; L130-L135 HydrophobicContact CD1-CG 4.12Å; L130-L135 HydrophobicContact CG-CD1 3.94Å; L130-L135 HydrophobicContact CG-CG 4.34Å; L130-L135 WeakPolarHBondContact O-CB 3.32Å; L130-L135 PolarHBondContact O-N 2.78Å; L131-L135 HydrophobicContact CD2-CD1 4.11Å; G133-L135 VanDerWaalsContact C-N 3.32Å; G133-L135 PolarHBondContact O-N 2.9Å; G133-L135 VanDerWaalsContact O-N 3.16Å; L135-G137 PolarHBondContact O-N 3.1Å; L135-V138 HydrophobicContact CB-CG2 4.41Å; L135-V138 HydrophobicContact CD2-CG2 3.95Å; L135-V138 WeakPolarHBondContact O-CG2 3.21Å; L135-I208 HydrophobicContact CD2-CG2 3.65Å
136	K	84.7	Confident	87.7	Confident	158 Å²	158	51.2 Å²	51.2	69%	0.687	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	111.7	179.9	179.9	-172.5	169.9	-168.5	0	109.2	K132 G133	K132-K136 WeakPolarHBondContact O-CB 3.46Å; K132-K136 WeakPolarHBondContact O-CD 3.49Å; G133-K136 VanDerWaalsContact O-CB 3.3Å; G133-K136 WeakPolarHBondContact O-CB 3.27Å; G133-K136 PolarHBondContact O-N 3.15Å
137	G	73.9	Confident	87.6	Confident	17 Å²	17	51.9 Å²	51.9	18%	0.175	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.5	12.3	-177.8	0	0	0	0	0	114.8	L135 K139 D141 L142	L135-G137 PolarHBondContact O-N 3.1Å; G137-K139 PolarHBondContact O-N 2.68Å; G137-D141 PolarHBondContact O-N 3.38Å; G137-L142 PolarHBondContact O-N 3.42Å
138	V	78.8	Confident	87.7	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.012	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.9	-49	167.8	164.1	0	0	0	0	110.8	E41 L44 L135 G140 L142	E41-V138 HydrophobicContact CG-CG1 4.48Å; L44-V138 HydrophobicContact CB-CG1 3.62Å; L44-V138 HydrophobicContact CB-CG2 4.39Å; L44-V138 HydrophobicContact CD1-CG1 4.46Å; L135-V138 HydrophobicContact CB-CG2 4.41Å; L135-V138 HydrophobicContact CD2-CG2 3.95Å; L135-V138 WeakPolarHBondContact O-CG2 3.21Å; V138-G140 PolarHBondContact O-N 3.49Å; V138-G140 VanDerWaalsContact O-N 3.09Å; V138-L142 HydrophobicContact CG2-CD2 4.22Å
139	K	67.1	Low	87.8	Confident	146 Å²	146	56.1 Å²	56.1	64%	0.635	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	87.1	175	-161.5	168.6	-153.8	145.2	0	109.8	D45 G137	D45-K139 IonicContact OD2-NZ 2.68Å; D45-K139 PolarHBondContact OD2-NZ 3.17Å; G137-K139 PolarHBondContact O-N 2.68Å
140	G	75.1	Confident	87.8	Confident	34 Å²	34	54.5 Å²	54.5	35%	0.351	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	114.2	-84.5	-179.2	0	0	0	0	0	114	V138 L142 K143 K144	V138-G140 PolarHBondContact O-N 3.49Å; V138-G140 VanDerWaalsContact O-N 3.09Å; G140-L142 VanDerWaalsContact C-N 3.34Å; G140-L142 PolarHBondContact O-N 3.14Å; G140-K143 PolarHBondContact O-N 3.05Å; G140-K144 WeakPolarHBondContact O-CB 3.4Å; G140-K144 PolarHBondContact O-N 2.88Å
141	D	83.1	Confident	87.9	Confident	105 Å²	105	59.8 Å²	59.8	56%	0.561	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-38.2	-166.1	-65.3	-49.5	0	0	0	114.7	G137 K143 K144 P145	G137-D141 PolarHBondContact O-N 3.38Å; D141-K143 VanDerWaalsContact C-N 3.32Å; D141-K143 PolarHBondContact O-N 3.1Å; D141-K144 IonicContact OD1-NZ 3.76Å; D141-P145 WeakPolarHBondContact O-CD 3.34Å
142	L	86.1	Confident	88	Confident	35 Å²	35	62.6 Å²	62.6	18%	0.183	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-34.7	176.8	179.9	62.2	0	0	0	112.6	L44 G137 V138 G140 Y201 K204 I208	L44-L142 HydrophobicContact CD1-CD2 4.42Å; G137-L142 PolarHBondContact O-N 3.42Å; V138-L142 HydrophobicContact CG2-CD2 4.22Å; G140-L142 VanDerWaalsContact C-N 3.34Å; G140-L142 PolarHBondContact O-N 3.14Å; L142-Y201 HydrophobicContact CD2-CE2 4.12Å; L142-Y201 HydrophobicContact CG-CD2 4.07Å; L142-Y201 HydrophobicContact CG-CE2 3.8Å; L142-K204 HydrophobicContact CD1-CB 4.08Å; L142-K204 HydrophobicContact CD1-CG 3.65Å; L142-I208 HydrophobicContact CD2-CD1 4.25Å
143	K	88.9	Confident	88.1	Confident	36 Å²	36	57.8 Å²	57.8	16%	0.157	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-25.7	-174.3	178.7	177.4	175.1	-173.9	0	113.3	V37 E41 G140 D141 P145 F146 D147 Y201	V37-K143 HydrophobicContact CG1-CD 4.1Å; V37-K143 HydrophobicContact CG1-CG 3.98Å; E41-K143 WeakPolarHBondContact OE2-CD 3.26Å; E41-K143 WeakPolarHBondContact OE2-CE 3.5Å; E41-K143 IonicContact OE2-NZ 2.71Å; E41-K143 PolarHBondContact OE2-NZ 3.05Å; G140-K143 PolarHBondContact O-N 3.05Å; D141-K143 VanDerWaalsContact C-N 3.32Å; D141-K143 PolarHBondContact O-N 3.1Å; K143-P145 VanDerWaalsContact C-N 3.32Å; K143-P145 VanDerWaalsContact O-N 3.16Å; K143-F146 WeakPolarHBondContact O-CA 3.48Å; K143-F146 WeakPolarHBondContact O-CB 3.46Å; K143-F146 PolarHBondContact O-N 2.88Å; K143-D147 WeakPolarHBondContact CE-OD1 3.47Å; K143-D147 WeakPolarHBondContact CE-OD2 3.26Å; K143-D147 PolarHBondContact O-N 2.85Å; K143-Y201 HydrophobicContact CB-CE2 4.32Å
144	K	93	Very high	88.3	Confident	138 Å²	138	59.6 Å²	59.6	60%	0.6	29%	0.293	S	S	*	.	H	α-helix	trans	-48.2	-37.6	-178.7	-177.8	-179.8	-176	179.1	0	115	G140 D141 K148	G140-K144 WeakPolarHBondContact O-CB 3.4Å; G140-K144 PolarHBondContact O-N 2.88Å; D141-K144 IonicContact OD1-NZ 3.76Å; K144-K148 WeakPolarHBondContact O-CB 3.08Å; K144-K148 PolarHBondContact O-N 3.17Å; K144-K148 VanDerWaalsContact O-N 3.12Å
145	P	93.6	Very high	88.6	Confident	55 Å²	55	62.8 Å²	62.8	36%	0.357	31%	0.313	S	S	.	.	H	α-helix	trans	-69.5	-41.2	175.3	-18	32.8	0	0	0	112.9	D141 K143 K148 A149	D141-P145 WeakPolarHBondContact O-CD 3.34Å; K143-P145 VanDerWaalsContact C-N 3.32Å; K143-P145 VanDerWaalsContact O-N 3.16Å; P145-K148 PolarHBondContact O-N 3Å; P145-A149 PolarHBondContact O-N 3.32Å
146	F	94.8	Very high	88.7	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.009	33%	0.326	C	S	.	.	H	α-helix	trans	-65.6	-49.5	175.1	172.9	-88.7	0	0	0	111.8	R34 V37 K143 K148 A149 W150 F194 M198	R34-F146 HydrophobicContact CB-CE1 4.38Å; R34-F146 HydrophobicContact CB-CZ 4.29Å; V37-F146 HydrophobicContact CB-CD1 4.31Å; V37-F146 HydrophobicContact CB-CE1 3.97Å; V37-F146 HydrophobicContact CB-CZ 4.25Å; V37-F146 HydrophobicContact CG1-CD1 3.88Å; V37-F146 HydrophobicContact CG1-CE1 3.98Å; V37-F146 HydrophobicContact CG2-CD1 4.06Å; V37-F146 HydrophobicContact CG2-CD2 4.1Å; V37-F146 HydrophobicContact CG2-CE1 3.8Å; V37-F146 HydrophobicContact CG2-CE2 3.84Å; V37-F146 HydrophobicContact CG2-CG 4.21Å; V37-F146 HydrophobicContact CG2-CZ 3.68Å; K143-F146 WeakPolarHBondContact O-CA 3.48Å; K143-F146 WeakPolarHBondContact O-CB 3.46Å; K143-F146 PolarHBondContact O-N 2.88Å; F146-K148 PolarHBondContact O-N 3.32Å; F146-A149 PolarHBondContact O-N 3Å; F146-A149 VanDerWaalsContact O-N 3.1Å; F146-W150 PolarHBondContact O-N 3.25Å; F146-F194 HydrophobicContact CD2-CE2 4.05Å; F146-F194 HydrophobicContact CE1-CE2 4.41Å; F146-F194 HydrophobicContact CE2-CD2 4.2Å; F146-F194 HydrophobicContact CE2-CE1 4.47Å; F146-F194 AromaticContact CE2-CE2 3.28Å; F146-F194 HydrophobicContact CE2-CE2 3.28Å; F146-F194 AromaticContact CE2-CZ 3.47Å; F146-F194 HydrophobicContact CE2-CZ 3.47Å; F146-F194 VanDerWaalsContact CE2-CZ 3.47Å; F146-F194 AromaticContact CZ-CE2 3.51Å; F146-F194 HydrophobicContact CZ-CE2 3.51Å; F146-F194 AromaticContact CZ-CZ 3.7Å; F146-F194 HydrophobicContact CZ-CZ 3.7Å; F146-M198 HydrophobicContact CD2-CB 4.2Å; F146-M198 HydrophobicContact CD2-SD 4.03Å; F146-M198 HydrophobicContact CE2-CB 4.08Å; F146-M198 HydrophobicContact CE2-CG 4.32Å; F146-M198 HydrophobicContact CE2-SD 3.51Å; F146-M198 VanDerWaalsContact CE2-SD 3.51Å; F146-M198 HydrophobicContact CZ-SD 4.29Å
147	D	93.4	Very high	89	Confident	50 Å²	50	59.1 Å²	59.1	27%	0.267	30%	0.299	S	S	.	.	H	α-helix	trans	-60.3	-28.7	177.6	-89.9	8.4	0	0	0	112.2	K143 K151	K143-D147 WeakPolarHBondContact CE-OD1 3.47Å; K143-D147 WeakPolarHBondContact CE-OD2 3.26Å; K143-D147 PolarHBondContact O-N 2.85Å; D147-K151 WeakPolarHBondContact O-CD 3.5Å; D147-K151 VanDerWaalsContact O-CG 3.28Å; D147-K151 WeakPolarHBondContact O-CG 3.45Å; D147-K151 PolarHBondContact O-N 3.2Å
148	K	95.4	Very high	89.8	Confident	120 Å²	120	61.3 Å²	61.3	52%	0.522	31%	0.309	S	S	.	.	H	α-helix	trans	-71.7	-52.6	171.5	-167.7	-157.4	173.3	-148	0	111.2	K144 P145 F146 W150 K151 D152	K144-K148 WeakPolarHBondContact O-CB 3.08Å; K144-K148 PolarHBondContact O-N 3.17Å; K144-K148 VanDerWaalsContact O-N 3.12Å; P145-K148 PolarHBondContact O-N 3Å; F146-K148 PolarHBondContact O-N 3.32Å; K148-W150 PolarHBondContact O-N 3.01Å; K148-K151 PolarHBondContact O-N 3.33Å; K148-D152 WeakPolarHBondContact CE-OD2 3.31Å; K148-D152 IonicContact NZ-OD2 3.75Å; K148-D152 PolarHBondContact NZ-OD2 2.88Å; K148-D152 PolarHBondContact O-N 3.13Å
149	A	95.9	Very high	90.4	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.008	33%	0.333	C	S	.	.	H	α-helix	trans	-58.3	-37.5	-179.4	0	0	0	0	0	112.6	P145 F146 Y153 F193 F194 Q197	P145-A149 PolarHBondContact O-N 3.32Å; F146-A149 PolarHBondContact O-N 3Å; F146-A149 VanDerWaalsContact O-N 3.1Å; A149-Y153 WeakPolarHBondContact O-CB 3.4Å; A149-Y153 PolarHBondContact O-N 3.03Å; A149-F193 HydrophobicContact CB-CD1 3.61Å; A149-F193 HydrophobicContact CB-CE1 3.83Å; A149-F194 HydrophobicContact CB-CB 4.5Å; A149-Q197 HydrophobicContact CB-CB 4.12Å; A149-Q197 HydrophobicContact CB-CG 3.86Å
150	W	94.3	Very high	91.5	Very high	30 Å²	30	60 Å²	60	11%	0.114	30%	0.303	C	S	.	.	H	α-helix	trans	-59.5	-48.5	171.9	173.3	-86.3	0	0	0	112.5	M30 R34 F146 K148 Y153 E154 F194	M30-W150 HydrophobicContact CB-CZ3 3.86Å; M30-W150 WeakPolarHBondContact O-CZ3 3.23Å; R34-W150 HydrophobicContact CB-CE3 4.33Å; R34-W150 HydrophobicContact CB-CZ3 4.27Å; F146-W150 PolarHBondContact O-N 3.25Å; K148-W150 PolarHBondContact O-N 3.01Å; W150-Y153 WeakPolarHBondContact O-CB 3.32Å; W150-Y153 PolarHBondContact O-N 2.74Å; W150-E154 HydrophobicContact CZ2-CG 4.16Å; W150-E154 WeakPolarHBondContact CZ2-OE1 3.36Å; W150-E154 PolarHBondContact NE1-OE1 2.64Å; W150-E154 PolarHBondContact NE1-OE2 3.1Å; W150-E154 PolarHBondContact O-N 3.1Å; W150-F194 HydrophobicContact CB-CD2 4.35Å; W150-F194 HydrophobicContact CB-CE2 4.17Å; W150-F194 AromaticContact CE3-CE2 3.73Å; W150-F194 HydrophobicContact CE3-CE2 3.73Å; W150-F194 HydrophobicContact CE3-CZ 4.09Å
151	K	95.5	Very high	92	Very high	122 Å²	122	62.8 Å²	62.8	53%	0.53	31%	0.307	S	S	.	.	H	α-helix	trans	-69.3	-39.2	-179.7	-72.4	169.6	-174.9	169.8	0	112.8	D147 K148 Y153 E154 T155	D147-K151 WeakPolarHBondContact O-CD 3.5Å; D147-K151 VanDerWaalsContact O-CG 3.28Å; D147-K151 WeakPolarHBondContact O-CG 3.45Å; D147-K151 PolarHBondContact O-N 3.2Å; K148-K151 PolarHBondContact O-N 3.33Å; K151-Y153 VanDerWaalsContact C-N 3.27Å; K151-Y153 PolarHBondContact O-N 3.44Å; K151-E154 PolarHBondContact O-N 2.88Å; K151-T155 VanDerWaalsContact O-CB 3.3Å; K151-T155 WeakPolarHBondContact O-CB 3.4Å; K151-T155 PolarHBondContact O-N 3.49Å; K151-T155 PolarHBondContact O-OG1 2.84Å
152	D	95	Very high	92.2	Very high	64 Å²	64	64.6 Å²	64.6	34%	0.342	31%	0.31	S	S	.	.	H	α-helix	trans	-60.4	-41	175	-69.4	-13.8	0	0	0	109.5	K148 K156	K148-D152 WeakPolarHBondContact CE-OD2 3.31Å; K148-D152 IonicContact NZ-OD2 3.75Å; K148-D152 PolarHBondContact NZ-OD2 2.88Å; K148-D152 PolarHBondContact O-N 3.13Å; D152-K156 WeakPolarHBondContact O-CB 3.44Å; D152-K156 PolarHBondContact O-N 3.47Å; D152-K156 VanDerWaalsContact O-N 3.12Å
153	Y	94	Very high	92.3	Very high	26 Å²	26	67.7 Å²	67.7	10%	0.102	32%	0.324	C	S	.	.	H	α-helix	trans	-65.2	-53.9	173.5	-178.8	-84.6	0	0	0	113.3	M30 A149 W150 K151 T155 K156 V157 M187 E190 R191	M30-Y153 HydrophobicContact CE-CD1 3.45Å; M30-Y153 VanDerWaalsContact CE-CD1 3.45Å; M30-Y153 HydrophobicContact CE-CD2 3.71Å; M30-Y153 HydrophobicContact CE-CE1 3.5Å; M30-Y153 VanDerWaalsContact CE-CE1 3.5Å; M30-Y153 HydrophobicContact CE-CE2 3.74Å; M30-Y153 HydrophobicContact CE-CG 3.59Å; M30-Y153 HydrophobicContact SD-CD1 4.29Å; M30-Y153 HydrophobicContact SD-CD2 4.37Å; M30-Y153 HydrophobicContact SD-CE1 3.69Å; M30-Y153 HydrophobicContact SD-CE2 3.77Å; A149-Y153 WeakPolarHBondContact O-CB 3.4Å; A149-Y153 PolarHBondContact O-N 3.03Å; W150-Y153 WeakPolarHBondContact O-CB 3.32Å; W150-Y153 PolarHBondContact O-N 2.74Å; K151-Y153 VanDerWaalsContact C-N 3.27Å; K151-Y153 PolarHBondContact O-N 3.44Å; Y153-T155 PolarHBondContact O-N 3.31Å; Y153-K156 PolarHBondContact O-N 3.49Å; Y153-K156 VanDerWaalsContact O-N 3.11Å; Y153-V157 HydrophobicContact CD1-CG2 3.99Å; Y153-V157 HydrophobicContact CE1-CG2 3.55Å; Y153-V157 HydrophobicContact CE2-CG2 4.41Å; Y153-V157 WeakPolarHBondContact O-CG2 3.37Å; Y153-V157 PolarHBondContact O-N 3.49Å; Y153-M187 HydrophobicContact CD2-CE 3.31Å; Y153-M187 HydrophobicContact CE1-CE 4.5Å; Y153-M187 HydrophobicContact CE2-CE 3.31Å; Y153-M187 HydrophobicContact CG-CE 3.94Å; Y153-E190 HydrophobicContact CD2-CB 4.26Å; Y153-R191 HydrophobicContact CD2-CB 4.41Å; Y153-R191 HydrophobicContact CE2-CB 3.99Å; Y153-R191 HydrophobicContact CE2-CG 4.42Å
154	E	93.4	Very high	92.1	Very high	80 Å²	80	69.1 Å²	69.1	37%	0.374	33%	0.33	S	S	.	.	H	α-helix	trans	-55	-41.5	178.5	-79.5	-177.9	143.9	0	0	111.9	W150 K151 T158	W150-E154 HydrophobicContact CZ2-CG 4.16Å; W150-E154 WeakPolarHBondContact CZ2-OE1 3.36Å; W150-E154 PolarHBondContact NE1-OE1 2.64Å; W150-E154 PolarHBondContact NE1-OE2 3.1Å; W150-E154 PolarHBondContact O-N 3.1Å; K151-E154 PolarHBondContact O-N 2.88Å; E154-T158 WeakPolarHBondContact O-CB 3.38Å; E154-T158 PolarHBondContact O-N 3.1Å; E154-T158 PolarHBondContact O-OG1 2.97Å
155	T	94.4	Very high	91.6	Very high	97 Å²	97	67.8 Å²	67.8	60%	0.595	32%	0.324	S	S	*	.	H	α-helix	trans	-65.6	-42.2	179	-55.8	0	0	0	0	111.5	K151 Y153 K159	K151-T155 VanDerWaalsContact O-CB 3.3Å; K151-T155 WeakPolarHBondContact O-CB 3.4Å; K151-T155 PolarHBondContact O-N 3.49Å; K151-T155 PolarHBondContact O-OG1 2.84Å; Y153-T155 PolarHBondContact O-N 3.31Å; T155-K159 WeakPolarHBondContact O-CB 3.17Å; T155-K159 PolarHBondContact O-N 2.81Å
156	K	93.4	Very high	91.1	Very high	61 Å²	61	68.4 Å²	68.4	27%	0.265	32%	0.322	S	S	.	.	H	α-helix	trans	-67.4	-44.4	178.6	-177.5	80.8	158.9	95.4	0	111.8	D152 Y153 K159 I160 E186 M187 E190	D152-K156 WeakPolarHBondContact O-CB 3.44Å; D152-K156 PolarHBondContact O-N 3.47Å; D152-K156 VanDerWaalsContact O-N 3.12Å; Y153-K156 PolarHBondContact O-N 3.49Å; Y153-K156 VanDerWaalsContact O-N 3.11Å; K156-K159 PolarHBondContact O-N 2.66Å; K156-I160 HydrophobicContact CD-CD1 4.44Å; K156-I160 HydrophobicContact CG-CD1 4.07Å; K156-I160 WeakPolarHBondContact O-CG1 3.43Å; K156-I160 PolarHBondContact O-N 3.05Å; K156-E186 WeakPolarHBondContact CE-O 3.4Å; K156-E186 PolarHBondContact NZ-O 3.49Å; K156-M187 HydrophobicContact CB-CE 4.06Å; K156-M187 HydrophobicContact CB-SD 3.95Å; K156-M187 HydrophobicContact CG-CE 3.89Å; K156-M187 HydrophobicContact CG-SD 3.35Å; K156-M187 WeakPolarHBondContact CG-SD 3.38Å; K156-E190 HydrophobicContact CB-CG 4.16Å; K156-E190 WeakPolarHBondContact CE-OE2 3.4Å; K156-E190 HydrophobicContact CG-CG 4.13Å
157	V	90.4	Very high	90.5	Very high	21 Å²	21	73.5 Å²	73.5	13%	0.127	35%	0.346	C	S	.	.	H	α-helix	trans	-58.6	-54.2	174.3	173.9	0	0	0	0	110.3	Y153 K159 I160 E161 M187	Y153-V157 HydrophobicContact CD1-CG2 3.99Å; Y153-V157 HydrophobicContact CE1-CG2 3.55Å; Y153-V157 HydrophobicContact CE2-CG2 4.41Å; Y153-V157 WeakPolarHBondContact O-CG2 3.37Å; Y153-V157 PolarHBondContact O-N 3.49Å; V157-K159 PolarHBondContact O-N 2.82Å; V157-K159 VanDerWaalsContact O-N 3.1Å; V157-I160 PolarHBondContact O-N 3.02Å; V157-I160 VanDerWaalsContact O-N 3.09Å; V157-E161 HydrophobicContact CG1-CG 4.16Å; V157-E161 WeakPolarHBondContact CG1-OE1 3.31Å; V157-E161 WeakPolarHBondContact O-CG 3.26Å; V157-E161 PolarHBondContact O-N 2.91Å; V157-M187 HydrophobicContact CB-SD 4.46Å; V157-M187 HydrophobicContact CG2-CE 3.51Å; V157-M187 HydrophobicContact CG2-CG 4.39Å; V157-M187 HydrophobicContact CG2-SD 3.66Å
158	T	90.3	Very high	89.9	Confident	62 Å²	62	71.9 Å²	71.9	38%	0.38	34%	0.339	S	S	.	.	H	α-helix	trans	-57.2	-30.5	-179.7	-56.2	0	0	0	0	112.6	E154 K162	E154-T158 WeakPolarHBondContact O-CB 3.38Å; E154-T158 PolarHBondContact O-N 3.1Å; E154-T158 PolarHBondContact O-OG1 2.97Å; T158-K162 WeakPolarHBondContact O-CD 3.42Å; T158-K162 VanDerWaalsContact O-CG 3.29Å; T158-K162 WeakPolarHBondContact O-CG 3.2Å
159	K	92.1	Very high	89.2	Confident	119 Å²	119	74 Å²	74	52%	0.517	34%	0.344	S	S	.	.	H	α-helix	trans	-72.3	-53.8	174.8	180	180	169.2	179.7	0	111.3	T155 K156 V157 E161 K162 E163	T155-K159 WeakPolarHBondContact O-CB 3.17Å; T155-K159 PolarHBondContact O-N 2.81Å; K156-K159 PolarHBondContact O-N 2.66Å; V157-K159 PolarHBondContact O-N 2.82Å; V157-K159 VanDerWaalsContact O-N 3.1Å; K159-E161 VanDerWaalsContact C-N 3.32Å; K159-E161 PolarHBondContact O-N 2.81Å; K159-K162 PolarHBondContact O-N 3.08Å; K159-K162 VanDerWaalsContact O-N 3.16Å; K159-E163 WeakPolarHBondContact CE-OE1 3.3Å; K159-E163 VanDerWaalsContact CE-OE2 3.23Å; K159-E163 WeakPolarHBondContact CE-OE2 3.48Å; K159-E163 HydrophobicContact CG-CG 4.49Å; K159-E163 IonicContact NZ-OE1 2.74Å; K159-E163 PolarHBondContact NZ-OE1 3.13Å; K159-E163 WeakPolarHBondContact O-CG 3.49Å; K159-E163 PolarHBondContact O-N 3.17Å
160	I	88.6	Confident	88.4	Confident	1 Å²	1	80.2 Å²	80.2	1%	0.005	37%	0.373	C	S	.	.	H	α-helix	trans	-61.5	-41.7	-177.8	-63.4	163.9	0	0	0	110.7	K156 V157 K162 E163 K164 I183 E186 M187	K156-I160 HydrophobicContact CD-CD1 4.44Å; K156-I160 HydrophobicContact CG-CD1 4.07Å; K156-I160 WeakPolarHBondContact O-CG1 3.43Å; K156-I160 PolarHBondContact O-N 3.05Å; V157-I160 PolarHBondContact O-N 3.02Å; V157-I160 VanDerWaalsContact O-N 3.09Å; I160-K162 VanDerWaalsContact C-N 3.27Å; I160-K162 PolarHBondContact O-N 2.6Å; I160-E163 PolarHBondContact O-N 3.27Å; I160-K164 HydrophobicContact CG2-CD 4.48Å; I160-K164 HydrophobicContact CG2-CG 3.69Å; I160-K164 WeakPolarHBondContact O-CB 3.38Å; I160-K164 WeakPolarHBondContact O-CG 3.45Å; I160-K164 PolarHBondContact O-N 3.01Å; I160-I183 HydrophobicContact CG2-CB 4.08Å; I160-I183 HydrophobicContact CG2-CG2 3.52Å; I160-E186 HydrophobicContact CD1-CB 3.77Å; I160-E186 WeakPolarHBondContact CG2-OE2 3.34Å; I160-M187 HydrophobicContact CD1-CG 3.82Å; I160-M187 HydrophobicContact CD1-SD 3.45Å; I160-M187 WeakPolarHBondContact CD1-SD 3.39Å
161	E	86.7	Confident	87.7	Confident	93 Å²	93	84.6 Å²	84.6	44%	0.435	39%	0.394	S	S	.	.	H	α-helix	trans	-56.4	-42	176.9	-74.3	178.8	167.1	0	0	112.2	V157 K159 K165 I178	V157-E161 HydrophobicContact CG1-CG 4.16Å; V157-E161 WeakPolarHBondContact CG1-OE1 3.31Å; V157-E161 WeakPolarHBondContact O-CG 3.26Å; V157-E161 PolarHBondContact O-N 2.91Å; K159-E161 VanDerWaalsContact C-N 3.32Å; K159-E161 PolarHBondContact O-N 2.81Å; E161-K165 WeakPolarHBondContact O-CB 3.44Å; E161-K165 PolarHBondContact O-N 3.4Å; E161-I178 HydrophobicContact CB-CD1 4.34Å; E161-I178 WeakPolarHBondContact O-CD1 3.26Å
162	K	87.3	Confident	86.7	Confident	144 Å²	144	82.1 Å²	82.1	63%	0.626	40%	0.403	S	S	*	.	H	α-helix	trans	-67.6	-44.9	176.1	-70.3	170.2	-174.1	174.3	0	111.6	T158 K159 I160 K165 E166	T158-K162 WeakPolarHBondContact O-CD 3.42Å; T158-K162 VanDerWaalsContact O-CG 3.29Å; T158-K162 WeakPolarHBondContact O-CG 3.2Å; K159-K162 PolarHBondContact O-N 3.08Å; K159-K162 VanDerWaalsContact O-N 3.16Å; I160-K162 VanDerWaalsContact C-N 3.27Å; I160-K162 PolarHBondContact O-N 2.6Å; K162-K165 PolarHBondContact O-N 2.7Å; K162-E166 VanDerWaalsContact O-CB 3.29Å; K162-E166 WeakPolarHBondContact O-CB 3.42Å; K162-E166 PolarHBondContact O-N 3.3Å
163	E	87.7	Confident	85.5	Confident	100 Å²	100	85.2 Å²	85.2	47%	0.467	42%	0.418	S	S	.	.	H	α-helix	trans	-63.6	-45.8	180	-70.8	174.6	149.5	0	0	111.6	K159 I160 H167	K159-E163 WeakPolarHBondContact CE-OE1 3.3Å; K159-E163 VanDerWaalsContact CE-OE2 3.23Å; K159-E163 WeakPolarHBondContact CE-OE2 3.48Å; K159-E163 HydrophobicContact CG-CG 4.49Å; K159-E163 IonicContact NZ-OE1 2.74Å; K159-E163 PolarHBondContact NZ-OE1 3.13Å; K159-E163 WeakPolarHBondContact O-CG 3.49Å; K159-E163 PolarHBondContact O-N 3.17Å; I160-E163 PolarHBondContact O-N 3.27Å; E163-H167 VanDerWaalsContact O-CB 3.29Å; E163-H167 WeakPolarHBondContact O-CB 3.45Å; E163-H167 PolarHBondContact O-N 3.06Å
164	K	84	Confident	84.2	Confident	66 Å²	66	91.9 Å²	91.9	29%	0.287	45%	0.453	S	S	.	.	H	α-helix	trans	-67.6	-38.9	177.1	-62.9	-80.3	178.1	165	0	112.3	I160 H167 A168 I178 I183 E186	I160-K164 HydrophobicContact CG2-CD 4.48Å; I160-K164 HydrophobicContact CG2-CG 3.69Å; I160-K164 WeakPolarHBondContact O-CB 3.38Å; I160-K164 WeakPolarHBondContact O-CG 3.45Å; I160-K164 PolarHBondContact O-N 3.01Å; K164-H167 PolarHBondContact O-N 2.97Å; K164-A168 PolarHBondContact O-N 2.85Å; K164-I178 HydrophobicContact CB-CD1 3.72Å; K164-I178 HydrophobicContact CB-CG1 4.39Å; K164-I183 HydrophobicContact CG-CG2 4.4Å; K164-E186 WeakPolarHBondContact CE-OE1 3.43Å; K164-E186 IonicContact NZ-OE1 2.89Å; K164-E186 PolarHBondContact NZ-OE1 3.24Å; K164-E186 IonicContact NZ-OE2 3.7Å
165	K	82.8	Confident	83	Confident	109 Å²	109	94.2 Å²	94.2	47%	0.474	46%	0.458	S	S	.	.	H	α-helix	trans	-69.8	-38.8	178.2	-170.6	164	-170.2	156	0	112.3	E161 K162 A168 R169 T176 I178	E161-K165 WeakPolarHBondContact O-CB 3.44Å; E161-K165 PolarHBondContact O-N 3.4Å; K162-K165 PolarHBondContact O-N 2.7Å; K165-A168 PolarHBondContact O-N 3.24Å; K165-R169 PolarHBondContact O-N 3.33Å; K165-T176 PolarHBondContact NZ-O 2.85Å; K165-I178 HydrophobicContact CB-CD1 4.28Å
166	E	83.5	Confident	81.6	Confident	68 Å²	68	94.8 Å²	94.8	32%	0.318	46%	0.462	S	S	.	.	H	α-helix	trans	-68.9	-40.6	173.2	-179.7	55.5	-158.4	0	0	111.5	K162 A168 R169 Q170	K162-E166 VanDerWaalsContact O-CB 3.29Å; K162-E166 WeakPolarHBondContact O-CB 3.42Å; K162-E166 PolarHBondContact O-N 3.3Å; E166-A168 VanDerWaalsContact C-N 3.34Å; E166-A168 PolarHBondContact O-N 3.33Å; E166-R169 VanDerWaalsContact CD-NH2 3.31Å; E166-R169 WeakPolarHBondContact O-CB 3.38Å; E166-R169 PolarHBondContact O-N 2.83Å; E166-R169 VanDerWaalsContact O-N 3.16Å; E166-R169 IonicContact OE1-CZ 3.59Å; E166-R169 IonicContact OE1-NE 2.76Å; E166-R169 IonicContact OE1-NH2 3.65Å; E166-R169 PolarHBondContact OE1-NH2 2.71Å; E166-R169 IonicContact OE2-CZ 3.96Å; E166-R169 VanDerWaalsContact OE2-CZ 3.31Å; E166-R169 IonicContact OE2-NE 2.69Å; E166-R169 PolarHBondContact OE2-NE 2.74Å; E166-R169 IonicContact OE2-NH2 3.74Å; E166-R169 PolarHBondContact OE2-NH2 2.81Å; E166-R169 VanDerWaalsContact OE2-NH2 3.07Å; E166-Q170 WeakPolarHBondContact O-CG 3.03Å; E166-Q170 PolarHBondContact O-N 3.28Å; E166-Q170 PolarHBondContact OE1-NE2 3.03Å; E166-Q170 VanDerWaalsContact OE1-NE2 3.1Å
167	H	81.4	Confident	80.4	Confident	110 Å²	110	99.3 Å²	99.3	51%	0.509	48%	0.484	S	S	.	.	H	α-helix	trans	-59.1	-42.4	172.6	-176.9	-83.3	0	0	0	112.3	E163 K164 Q170 H171	E163-H167 VanDerWaalsContact O-CB 3.29Å; E163-H167 WeakPolarHBondContact O-CB 3.45Å; E163-H167 PolarHBondContact O-N 3.06Å; K164-H167 PolarHBondContact O-N 2.97Å; H167-Q170 PolarHBondContact O-N 2.76Å; H167-H171 AromaticContact CE1-CE1 3.28Å; H167-H171 PolarHBondContact CE1-CE1 3.07Å; H167-H171 AromaticContact CE1-ND1 3.55Å; H167-H171 AromaticContact ND1-CE1 3.86Å; H167-H171 AromaticContact ND1-ND1 3.69Å; H167-H171 AromaticContact NE2-CE1 3.37Å; H167-H171 PolarHBondContact NE2-CE1 2.76Å; H167-H171 AromaticContact NE2-ND1 3.96Å; H167-H171 PolarHBondContact O-N 2.89Å; H167-H171 PolarHBondContact O-ND1 2.88Å
168	A	81.3	Confident	79.6	Confident	15 Å²	15	100.4 Å²	100.4	12%	0.124	49%	0.489	C	S	.	.	H	α-helix	trans	-62.3	-43.5	173.7	0	0	0	0	0	112	K164 K165 E166 Q170 H171 G172 M173 R175	K164-A168 PolarHBondContact O-N 2.85Å; K165-A168 PolarHBondContact O-N 3.24Å; E166-A168 VanDerWaalsContact C-N 3.34Å; E166-A168 PolarHBondContact O-N 3.33Å; A168-Q170 VanDerWaalsContact C-N 3.32Å; A168-Q170 PolarHBondContact O-N 3.23Å; A168-H171 CarbonylContact O-C 3.22Å; A168-H171 PolarHBondContact O-N 3.03Å; A168-H171 VanDerWaalsContact O-N 3.1Å; A168-G172 PolarHBondContact O-N 2.81Å; A168-M173 CarbonylContact C-O 3.41Å; A168-M173 VanDerWaalsContact C-O 3.22Å; A168-M173 PolarHBondContact O-N 2.8Å; A168-M173 VanDerWaalsContact O-O 3.13Å; A168-R175 HydrophobicContact CB-CB 4.21Å
169	R	81.7	Confident	78.8	Confident	165 Å²	165	100.5 Å²	100.5	62%	0.623	49%	0.492	S	S	*	.	H	α-helix	trans	-60.6	-39.4	176.8	-165.9	178.7	73.5	99.7	5.6	112.2	K165 E166 H171 G172	K165-R169 PolarHBondContact O-N 3.33Å; E166-R169 VanDerWaalsContact CD-NH2 3.31Å; E166-R169 WeakPolarHBondContact O-CB 3.38Å; E166-R169 PolarHBondContact O-N 2.83Å; E166-R169 VanDerWaalsContact O-N 3.16Å; E166-R169 IonicContact OE1-CZ 3.59Å; E166-R169 IonicContact OE1-NE 2.76Å; E166-R169 IonicContact OE1-NH2 3.65Å; E166-R169 PolarHBondContact OE1-NH2 2.71Å; E166-R169 IonicContact OE2-CZ 3.96Å; E166-R169 VanDerWaalsContact OE2-CZ 3.31Å; E166-R169 IonicContact OE2-NE 2.69Å; E166-R169 PolarHBondContact OE2-NE 2.74Å; E166-R169 IonicContact OE2-NH2 3.74Å; E166-R169 PolarHBondContact OE2-NH2 2.81Å; E166-R169 VanDerWaalsContact OE2-NH2 3.07Å; R169-H171 VanDerWaalsContact C-N 3.26Å; R169-H171 PolarHBondContact O-N 3.05Å; R169-G172 PolarHBondContact O-N 3.28Å; R169-G172 VanDerWaalsContact O-N 3.09Å
170	Q	79.3	Confident	77.9	Confident	131 Å²	131	96.9 Å²	96.9	61%	0.612	49%	0.489	S	S	*	.	H	α-helix	trans	-65.7	-27.7	176.1	-71.6	169.9	10	0	0	113	E166 H167 A168 G172	E166-Q170 WeakPolarHBondContact O-CG 3.03Å; E166-Q170 PolarHBondContact O-N 3.28Å; E166-Q170 PolarHBondContact OE1-NE2 3.03Å; E166-Q170 VanDerWaalsContact OE1-NE2 3.1Å; H167-Q170 PolarHBondContact O-N 2.76Å; A168-Q170 VanDerWaalsContact C-N 3.32Å; A168-Q170 PolarHBondContact O-N 3.23Å; Q170-G172 VanDerWaalsContact C-N 3.29Å
171	H	79.4	Confident	77.3	Confident	122 Å²	122	99 Å²	99	57%	0.565	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	14.8	173.3	-68.1	79.8	0	0	0	113.2	H167 A168 R169 M173	H167-H171 AromaticContact CE1-CE1 3.28Å; H167-H171 PolarHBondContact CE1-CE1 3.07Å; H167-H171 AromaticContact CE1-ND1 3.55Å; H167-H171 AromaticContact ND1-CE1 3.86Å; H167-H171 AromaticContact ND1-ND1 3.69Å; H167-H171 AromaticContact NE2-CE1 3.37Å; H167-H171 PolarHBondContact NE2-CE1 2.76Å; H167-H171 AromaticContact NE2-ND1 3.96Å; H167-H171 PolarHBondContact O-N 2.89Å; H167-H171 PolarHBondContact O-ND1 2.88Å; A168-H171 CarbonylContact O-C 3.22Å; A168-H171 PolarHBondContact O-N 3.03Å; A168-H171 VanDerWaalsContact O-N 3.1Å; R169-H171 VanDerWaalsContact C-N 3.26Å; R169-H171 PolarHBondContact O-N 3.05Å; H171-M173 PolarHBondContact O-N 3.45Å
172	G	73.1	Confident	76.8	Confident	70 Å²	70	98.1 Å²	98.1	72%	0.722	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	7.1	178.2	0	0	0	0	0	115.1	A168 R169 Q170	A168-G172 PolarHBondContact O-N 2.81Å; R169-G172 PolarHBondContact O-N 3.28Å; R169-G172 VanDerWaalsContact O-N 3.09Å; Q170-G172 VanDerWaalsContact C-N 3.29Å
173	M	70.4	Confident	76.7	Confident	130 Å²	130	92.1 Å²	92.1	64%	0.64	48%	0.477	S	S	*	.			trans	-100.8	121.8	-177.9	-63.5	-170.5	-176.8	0	0	111.7	A168 H171 R175	A168-M173 CarbonylContact C-O 3.41Å; A168-M173 VanDerWaalsContact C-O 3.22Å; A168-M173 PolarHBondContact O-N 2.8Å; A168-M173 VanDerWaalsContact O-O 3.13Å; H171-M173 PolarHBondContact O-N 3.45Å; M173-R175 PolarHBondContact O-N 2.76Å
174	I	67.8	Low	76.4	Confident	166 Å²	166	87.4 Å²	87.4	85%	0.851	46%	0.455	S	S	*	.			trans	-86.3	89.8	171.8	-54.1	-179.4	0	0	0	108.6
175	R	66.8	Low	76.4	Confident	128 Å²	128	92.5 Å²	92.5	48%	0.483	48%	0.48	S	S	.	.			trans	-90	119.8	171.6	-125.4	174.5	176.6	-167.3	-9.1	109.9	A168 M173 E182	A168-R175 HydrophobicContact CB-CB 4.21Å; M173-R175 PolarHBondContact O-N 2.76Å; R175-E182 IonicContact CZ-OE1 3.19Å; R175-E182 IonicContact CZ-OE2 2.62Å; R175-E182 IonicContact NH1-OE1 2.76Å; R175-E182 PolarHBondContact NH1-OE1 2.8Å; R175-E182 IonicContact NH1-OE2 3.31Å; R175-E182 PolarHBondContact NH1-OE2 3.26Å; R175-E182 IonicContact NH2-OE1 2.75Å; R175-E182 PolarHBondContact NH2-OE1 3.26Å; R175-E182 IonicContact NH2-OE2 3.33Å
176	T	65.4	Low	76.7	Confident	109 Å²	109	91.2 Å²	91.2	67%	0.669	48%	0.476	S	S	*	.	S	Bend	trans	-75.5	-43	178.1	40.5	0	0	0	0	111.7	K165	K165-T176 PolarHBondContact NZ-O 2.85Å
177	E	68.1	Low	77	Confident	157 Å²	157	88 Å²	88	73%	0.734	46%	0.461	S	S	*	.			trans	-123.1	154.6	-174.5	-69	165	-149.5	0	0	111.1
178	I	74.5	Confident	77.3	Confident	44 Å²	44	86.3 Å²	86.3	23%	0.226	45%	0.453	C	S	.	.			trans	-125.3	132.6	176.3	-65.5	155.6	0	0	0	106.2	E161 K164 K165 E182 I183	E161-I178 HydrophobicContact CB-CD1 4.34Å; E161-I178 WeakPolarHBondContact O-CD1 3.26Å; K164-I178 HydrophobicContact CB-CD1 3.72Å; K164-I178 HydrophobicContact CB-CG1 4.39Å; K165-I178 HydrophobicContact CB-CD1 4.28Å; I178-E182 HydrophobicContact CG2-CB 4.3Å; I178-I183 HydrophobicContact CG2-CG2 3.77Å
179	S	73.9	Confident	77.8	Confident	63 Å²	63	93 Å²	93	44%	0.441	48%	0.479	S	S	.	.			trans	-75.6	142.2	-178	177	0	0	0	0	111.2	A181 E182	S179-A181 PolarHBondContact O-N 3.39Å; S179-A181 VanDerWaalsContact O-N 3.11Å; S179-A181 PolarHBondContact OG-N 3.14Å; S179-E182 PolarHBondContact N-OE2 3.04Å; S179-E182 WeakPolarHBondContact O-CB 3.4Å; S179-E182 PolarHBondContact O-N 3.3Å
180	G	72.6	Confident	78.4	Confident	44 Å²	44	86.7 Å²	86.7	45%	0.454	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-55.1	-29	173.5	0	0	0	0	0	113.2	I183 A184	G180-I183 WeakPolarHBondContact O-CG1 3.3Å; G180-A184 PolarHBondContact O-N 3.18Å; G180-A184 VanDerWaalsContact O-N 3.16Å
181	A	76.1	Confident	79.1	Confident	45 Å²	45	80.8 Å²	80.8	37%	0.372	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-69.5	-30.5	174.2	0	0	0	0	0	113.4	S179 I183	S179-A181 PolarHBondContact O-N 3.39Å; S179-A181 VanDerWaalsContact O-N 3.11Å; S179-A181 PolarHBondContact OG-N 3.14Å; A181-I183 PolarHBondContact O-N 3.46Å
182	E	76.8	Confident	79.7	Confident	75 Å²	75	79.3 Å²	79.3	35%	0.35	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-75.9	-12	180	-65.5	175.9	132.3	0	0	113.4	R175 I178 S179	R175-E182 IonicContact CZ-OE1 3.19Å; R175-E182 IonicContact CZ-OE2 2.62Å; R175-E182 IonicContact NH1-OE1 2.76Å; R175-E182 PolarHBondContact NH1-OE1 2.8Å; R175-E182 IonicContact NH1-OE2 3.31Å; R175-E182 PolarHBondContact NH1-OE2 3.26Å; R175-E182 IonicContact NH2-OE1 2.75Å; R175-E182 PolarHBondContact NH2-OE1 3.26Å; R175-E182 IonicContact NH2-OE2 3.33Å; I178-E182 HydrophobicContact CG2-CB 4.3Å; S179-E182 PolarHBondContact N-OE2 3.04Å; S179-E182 WeakPolarHBondContact O-CB 3.4Å; S179-E182 PolarHBondContact O-N 3.3Å
183	I	83.9	Confident	80.8	Confident	17 Å²	17	79.9 Å²	79.9	9%	0.087	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-120.5	3.3	178.4	65.3	171.4	0	0	0	112.6	I160 K164 I178 G180 A181 E185 E186 M187	I160-I183 HydrophobicContact CG2-CB 4.08Å; I160-I183 HydrophobicContact CG2-CG2 3.52Å; K164-I183 HydrophobicContact CG-CG2 4.4Å; I178-I183 HydrophobicContact CG2-CG2 3.77Å; G180-I183 WeakPolarHBondContact O-CG1 3.3Å; A181-I183 PolarHBondContact O-N 3.46Å; I183-E185 PolarHBondContact O-N 2.98Å; I183-E186 PolarHBondContact O-N 2.95Å; I183-M187 HydrophobicContact CD1-CG 4.48Å; I183-M187 HydrophobicContact CG1-CG 4.5Å; I183-M187 WeakPolarHBondContact O-CB 3.35Å; I183-M187 VanDerWaalsContact O-CG 3.31Å; I183-M187 WeakPolarHBondContact O-CG 3.49Å; I183-M187 PolarHBondContact O-N 2.91Å; I183-M187 VanDerWaalsContact O-N 3.14Å
184	A	82.7	Confident	82	Confident	2 Å²	2	73.7 Å²	73.7	2%	0.017	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-42.6	-170.8	0	0	0	0	0	113.3	T22 G180 E188 R191	T22-A184 HydrophobicContact CG2-CB 3.82Å; G180-A184 PolarHBondContact O-N 3.18Å; G180-A184 VanDerWaalsContact O-N 3.16Å; A184-E188 PolarHBondContact O-N 2.9Å; A184-R191 PolarHBondContact O-NH1 3.42Å; A184-R191 PolarHBondContact O-NH2 2.68Å
185	E	83.7	Confident	83.3	Confident	172 Å²	172	66.2 Å²	66.2	80%	0.804	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-50.1	179.4	-173.8	176.4	-171.9	0	0	111.4	I183 M187 E188	I183-E185 PolarHBondContact O-N 2.98Å; E185-M187 PolarHBondContact O-N 2.7Å; E185-E188 VanDerWaalsContact O-CB 3.24Å; E185-E188 WeakPolarHBondContact O-CB 3.37Å; E185-E188 PolarHBondContact O-N 2.87Å
186	E	88.2	Confident	84.7	Confident	83 Å²	83	64.2 Å²	64.2	39%	0.388	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-16.1	177.7	-70.7	176	-144.1	0	0	114	K156 I160 K164 I183	K156-E186 WeakPolarHBondContact CE-O 3.4Å; K156-E186 PolarHBondContact NZ-O 3.49Å; I160-E186 HydrophobicContact CD1-CB 3.77Å; I160-E186 WeakPolarHBondContact CG2-OE2 3.34Å; K164-E186 WeakPolarHBondContact CE-OE1 3.43Å; K164-E186 IonicContact NZ-OE1 2.89Å; K164-E186 PolarHBondContact NZ-OE1 3.24Å; K164-E186 IonicContact NZ-OE2 3.7Å; I183-E186 PolarHBondContact O-N 2.95Å
187	M	89.6	Confident	86.1	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-3	176.6	-73.6	-58.2	-47.1	0	0	114.3	Y153 K156 V157 I160 I183 E185 K189 E190 R191	Y153-M187 HydrophobicContact CD2-CE 3.31Å; Y153-M187 HydrophobicContact CE1-CE 4.5Å; Y153-M187 HydrophobicContact CE2-CE 3.31Å; Y153-M187 HydrophobicContact CG-CE 3.94Å; K156-M187 HydrophobicContact CB-CE 4.06Å; K156-M187 HydrophobicContact CB-SD 3.95Å; K156-M187 HydrophobicContact CG-CE 3.89Å; K156-M187 HydrophobicContact CG-SD 3.35Å; K156-M187 WeakPolarHBondContact CG-SD 3.38Å; V157-M187 HydrophobicContact CB-SD 4.46Å; V157-M187 HydrophobicContact CG2-CE 3.51Å; V157-M187 HydrophobicContact CG2-CG 4.39Å; V157-M187 HydrophobicContact CG2-SD 3.66Å; I160-M187 HydrophobicContact CD1-CG 3.82Å; I160-M187 HydrophobicContact CD1-SD 3.45Å; I160-M187 WeakPolarHBondContact CD1-SD 3.39Å; I183-M187 HydrophobicContact CD1-CG 4.48Å; I183-M187 HydrophobicContact CG1-CG 4.5Å; I183-M187 WeakPolarHBondContact O-CB 3.35Å; I183-M187 VanDerWaalsContact O-CG 3.31Å; I183-M187 WeakPolarHBondContact O-CG 3.49Å; I183-M187 PolarHBondContact O-N 2.91Å; I183-M187 VanDerWaalsContact O-N 3.14Å; E185-M187 PolarHBondContact O-N 2.7Å; M187-K189 VanDerWaalsContact C-N 3.32Å; M187-K189 PolarHBondContact O-N 2.92Å; M187-E190 HydrophobicContact CE-CB 4.03Å; M187-E190 PolarHBondContact O-N 3.48Å; M187-R191 WeakPolarHBondContact O-CB 3.25Å; M187-R191 PolarHBondContact O-N 2.89Å
188	E	88.8	Confident	87.4	Confident	74 Å²	74	53.2 Å²	53.2	35%	0.346	27%	0.271	S	S	.	.	H	α-helix	trans	-56	-43.9	-171	-173.9	-170.5	-153	0	0	112.6	A184 E185 R192	A184-E188 PolarHBondContact O-N 2.9Å; E185-E188 VanDerWaalsContact O-CB 3.24Å; E185-E188 WeakPolarHBondContact O-CB 3.37Å; E185-E188 PolarHBondContact O-N 2.87Å; E188-R192 WeakPolarHBondContact O-CB 3.48Å; E188-R192 WeakPolarHBondContact O-CG 3.4Å; E188-R192 PolarHBondContact O-N 2.99Å; E188-R192 IonicContact OE1-CZ 3.38Å; E188-R192 IonicContact OE1-NH1 2.62Å; E188-R192 PolarHBondContact OE1-NH1 3.23Å; E188-R192 IonicContact OE1-NH2 3.59Å; E188-R192 PolarHBondContact OE1-NH2 3.47Å; E188-R192 IonicContact OE2-NH1 3.19Å
189	K	91.9	Very high	88.4	Confident	155 Å²	155	53.7 Å²	53.7	67%	0.674	28%	0.278	S	S	*	.	H	α-helix	trans	-64.6	-54.5	-178.6	178.9	-171.8	168.5	-147.4	0	112.2	M187 R191 R192 F193	M187-K189 VanDerWaalsContact C-N 3.32Å; M187-K189 PolarHBondContact O-N 2.92Å; K189-R191 VanDerWaalsContact C-N 3.33Å; K189-R191 PolarHBondContact O-N 3.14Å; K189-R192 PolarHBondContact O-N 3.43Å; K189-F193 WeakPolarHBondContact O-CB 3.17Å; K189-F193 PolarHBondContact O-N 2.96Å
190	E	94.4	Very high	89.4	Confident	33 Å²	33	55.7 Å²	55.7	15%	0.154	28%	0.28	C	S	.	.	H	α-helix	trans	-67.1	-33.9	-178.6	-72.2	68.4	-148.4	0	0	111.6	Y153 K156 M187 F193 F194	Y153-E190 HydrophobicContact CD2-CB 4.26Å; K156-E190 HydrophobicContact CB-CG 4.16Å; K156-E190 WeakPolarHBondContact CE-OE2 3.4Å; K156-E190 HydrophobicContact CG-CG 4.13Å; M187-E190 HydrophobicContact CE-CB 4.03Å; M187-E190 PolarHBondContact O-N 3.48Å; E190-F193 PolarHBondContact O-N 3Å; E190-F194 PolarHBondContact O-N 3.01Å
191	R	92.4	Very high	90.5	Very high	6 Å²	6	53.9 Å²	53.9	2%	0.023	26%	0.26	C	S	.	.	H	α-helix	trans	-66.3	-46.7	174.1	-172.8	162.5	58.3	-97.2	-11	112.4	D17 F26 Y153 A184 M187 K189 F193 F194 Q195	D17-R191 IonicContact OD1-NE 3.67Å; D17-R191 PolarHBondContact OD1-NE 2.93Å; D17-R191 WeakPolarHBondContact OD2-CD 3.33Å; D17-R191 IonicContact OD2-NE 2.72Å; D17-R191 PolarHBondContact OD2-NE 3.07Å; F26-R191 HydrophobicContact CD1-CG 4.18Å; F26-R191 HydrophobicContact CE1-CG 4.24Å; Y153-R191 HydrophobicContact CD2-CB 4.41Å; Y153-R191 HydrophobicContact CE2-CB 3.99Å; Y153-R191 HydrophobicContact CE2-CG 4.42Å; A184-R191 PolarHBondContact O-NH1 3.42Å; A184-R191 PolarHBondContact O-NH2 2.68Å; M187-R191 WeakPolarHBondContact O-CB 3.25Å; M187-R191 PolarHBondContact O-N 2.89Å; K189-R191 VanDerWaalsContact C-N 3.33Å; K189-R191 PolarHBondContact O-N 3.14Å; R191-F193 VanDerWaalsContact C-N 3.32Å; R191-F193 PolarHBondContact O-N 2.75Å; R191-F194 WeakPolarHBondContact O-CB 3.29Å; R191-F194 PolarHBondContact O-N 3.21Å; R191-Q195 WeakPolarHBondContact O-CG 3.44Å; R191-Q195 PolarHBondContact O-N 3.33Å
192	R	93.3	Very high	91.4	Very high	91 Å²	91	52.8 Å²	52.8	34%	0.343	25%	0.248	S	C	.	.	H	α-helix	trans	-62.7	-37.4	173.9	-77.8	-170.3	-178.6	127.4	12.5	112.5	E188 K189 Q195 L196	E188-R192 WeakPolarHBondContact O-CB 3.48Å; E188-R192 WeakPolarHBondContact O-CG 3.4Å; E188-R192 PolarHBondContact O-N 2.99Å; E188-R192 IonicContact OE1-CZ 3.38Å; E188-R192 IonicContact OE1-NH1 2.62Å; E188-R192 PolarHBondContact OE1-NH1 3.23Å; E188-R192 IonicContact OE1-NH2 3.59Å; E188-R192 PolarHBondContact OE1-NH2 3.47Å; E188-R192 IonicContact OE2-NH1 3.19Å; K189-R192 PolarHBondContact O-N 3.43Å; R192-Q195 PolarHBondContact O-N 3.44Å; R192-L196 WeakPolarHBondContact O-CB 3.37Å; R192-L196 PolarHBondContact O-N 3.49Å
193	F	95.1	Very high	92.3	Very high	82 Å²	82	54 Å²	54	36%	0.36	26%	0.256	S	S	.	.	H	α-helix	trans	-66	-39.6	176.6	-167.6	-107.4	0	0	0	111.9	A149 K189 E190 R191 L196 Q197	A149-F193 HydrophobicContact CB-CD1 3.61Å; A149-F193 HydrophobicContact CB-CE1 3.83Å; K189-F193 WeakPolarHBondContact O-CB 3.17Å; K189-F193 PolarHBondContact O-N 2.96Å; E190-F193 PolarHBondContact O-N 3Å; R191-F193 VanDerWaalsContact C-N 3.32Å; R191-F193 PolarHBondContact O-N 2.75Å; F193-L196 PolarHBondContact O-N 2.85Å; F193-Q197 HydrophobicContact CD1-CG 4.33Å; F193-Q197 HydrophobicContact CE1-CG 3.93Å; F193-Q197 HydrophobicContact CE2-CG 4.48Å; F193-Q197 HydrophobicContact CZ-CG 4.01Å; F193-Q197 WeakPolarHBondContact O-CG 3.33Å; F193-Q197 PolarHBondContact O-N 2.76Å
194	F	95.9	Very high	92.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.3	-48.1	171.3	177.6	-95.4	0	0	0	112.7	F26 M30 C33 F146 A149 W150 E190 R191 L196 Q197 M198	F26-F194 HydrophobicContact CE1-CD1 4.07Å; F26-F194 HydrophobicContact CE1-CE1 4.33Å; F26-F194 HydrophobicContact CZ-CD1 4.11Å; F26-F194 HydrophobicContact CZ-CE1 4.14Å; M30-F194 HydrophobicContact CB-CE1 4.04Å; M30-F194 HydrophobicContact CB-CZ 4.26Å; M30-F194 HydrophobicContact CE-CB 4.24Å; M30-F194 HydrophobicContact CE-CD1 3.6Å; M30-F194 HydrophobicContact CE-CD2 4.09Å; M30-F194 HydrophobicContact CE-CE1 3.9Å; M30-F194 HydrophobicContact CE-CE2 4.36Å; M30-F194 HydrophobicContact CE-CG 3.69Å; M30-F194 HydrophobicContact CE-CZ 4.26Å; M30-F194 HydrophobicContact CG-CD1 4.22Å; M30-F194 HydrophobicContact CG-CE1 3.88Å; M30-F194 HydrophobicContact SD-CD1 4.44Å; C33-F194 HydrophobicContact CB-CE1 4.06Å; C33-F194 HydrophobicContact CB-CZ 3.81Å; F146-F194 HydrophobicContact CD2-CE2 4.05Å; F146-F194 HydrophobicContact CE1-CE2 4.41Å; F146-F194 HydrophobicContact CE2-CD2 4.2Å; F146-F194 HydrophobicContact CE2-CE1 4.47Å; F146-F194 AromaticContact CE2-CE2 3.28Å; F146-F194 HydrophobicContact CE2-CE2 3.28Å; F146-F194 AromaticContact CE2-CZ 3.47Å; F146-F194 HydrophobicContact CE2-CZ 3.47Å; F146-F194 VanDerWaalsContact CE2-CZ 3.47Å; F146-F194 AromaticContact CZ-CE2 3.51Å; F146-F194 HydrophobicContact CZ-CE2 3.51Å; F146-F194 AromaticContact CZ-CZ 3.7Å; F146-F194 HydrophobicContact CZ-CZ 3.7Å; A149-F194 HydrophobicContact CB-CB 4.5Å; W150-F194 HydrophobicContact CB-CD2 4.35Å; W150-F194 HydrophobicContact CB-CE2 4.17Å; W150-F194 AromaticContact CE3-CE2 3.73Å; W150-F194 HydrophobicContact CE3-CE2 3.73Å; W150-F194 HydrophobicContact CE3-CZ 4.09Å; E190-F194 PolarHBondContact O-N 3.01Å; R191-F194 WeakPolarHBondContact O-CB 3.29Å; R191-F194 PolarHBondContact O-N 3.21Å; F194-L196 VanDerWaalsContact C-N 3.31Å; F194-L196 PolarHBondContact O-N 3.13Å; F194-Q197 PolarHBondContact O-N 2.73Å; F194-M198 WeakPolarHBondContact O-CB 3.41Å; F194-M198 PolarHBondContact O-N 2.54Å
195	Q	95.3	Very high	93.2	Very high	10 Å²	10	56.7 Å²	56.7	5%	0.047	27%	0.268	C	S	.	.	H	α-helix	trans	-56.9	-43.4	176.3	-73.7	159.7	-12	0	0	111.8	T14 D17 F26 R191 R192 M198 C199	T14-Q195 HydrophobicContact CG2-CB 4.04Å; T14-Q195 HydrophobicContact CG2-CG 3.88Å; D17-Q195 PolarHBondContact OD2-NE2 2.88Å; F26-Q195 HydrophobicContact CE1-CG 3.64Å; F26-Q195 HydrophobicContact CE2-CG 4.1Å; F26-Q195 HydrophobicContact CZ-CG 3.39Å; R191-Q195 WeakPolarHBondContact O-CG 3.44Å; R191-Q195 PolarHBondContact O-N 3.33Å; R192-Q195 PolarHBondContact O-N 3.44Å; Q195-M198 PolarHBondContact O-N 2.8Å; Q195-C199 WeakPolarHBondContact O-CB 3.46Å; Q195-C199 PolarHBondContact O-N 3.05Å
196	L	95.4	Very high	93.7	Very high	85 Å²	85	52.5 Å²	52.5	45%	0.445	25%	0.251	S	S	.	.	H	α-helix	trans	-60.8	-51.2	175.3	177.8	62.5	0	0	0	111.9	R192 F193 F194 M198 C199 E200	R192-L196 WeakPolarHBondContact O-CB 3.37Å; R192-L196 PolarHBondContact O-N 3.49Å; F193-L196 PolarHBondContact O-N 2.85Å; F194-L196 VanDerWaalsContact C-N 3.31Å; F194-L196 PolarHBondContact O-N 3.13Å; L196-M198 VanDerWaalsContact C-N 3.3Å; L196-M198 PolarHBondContact O-N 2.9Å; L196-C199 WeakPolarHBondContact O-CB 3.29Å; L196-C199 PolarHBondContact O-N 3.15Å; L196-C199 VanDerWaalsContact O-N 3.12Å; L196-E200 HydrophobicContact CD1-CG 4.35Å; L196-E200 WeakPolarHBondContact O-CG 3.23Å; L196-E200 PolarHBondContact O-N 2.87Å
197	Q	96.2	Very high	94	Very high	35 Å²	35	51.9 Å²	51.9	16%	0.164	25%	0.248	C	C	.	.	H	α-helix	trans	-67.2	-30	-178.7	-62.4	-51.1	-80.8	0	0	113	A149 F193 F194 Y201	A149-Q197 HydrophobicContact CB-CB 4.12Å; A149-Q197 HydrophobicContact CB-CG 3.86Å; F193-Q197 HydrophobicContact CD1-CG 4.33Å; F193-Q197 HydrophobicContact CE1-CG 3.93Å; F193-Q197 HydrophobicContact CE2-CG 4.48Å; F193-Q197 HydrophobicContact CZ-CG 4.01Å; F193-Q197 WeakPolarHBondContact O-CG 3.33Å; F193-Q197 PolarHBondContact O-N 2.76Å; F194-Q197 PolarHBondContact O-N 2.73Å; Q197-Y201 WeakPolarHBondContact O-CB 3.31Å; Q197-Y201 PolarHBondContact O-N 3.28Å; Q197-Y201 VanDerWaalsContact O-N 3.09Å
198	M	95.4	Very high	94.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67.4	-40.4	170.4	-175	62.9	178.7	0	0	111.7	I5 F10 C33 T36 V37 F146 F194 Q195 L196 Y201 L202	I5-M198 HydrophobicContact CG2-CE 4.42Å; F10-M198 HydrophobicContact CD2-CG 3.96Å; F10-M198 HydrophobicContact CE1-CG 4.14Å; F10-M198 HydrophobicContact CE2-CB 3.86Å; F10-M198 HydrophobicContact CE2-CG 3.44Å; F10-M198 VanDerWaalsContact CE2-CG 3.44Å; F10-M198 HydrophobicContact CZ-CB 3.7Å; F10-M198 HydrophobicContact CZ-CG 3.55Å; C33-M198 HydrophobicContact CB-CE 3.79Å; C33-M198 HydrophobicContact CB-CG 4.39Å; C33-M198 HydrophobicContact CB-SD 4.01Å; T36-M198 HydrophobicContact CG2-CE 4.33Å; V37-M198 HydrophobicContact CG2-CE 4.12Å; V37-M198 HydrophobicContact CG2-SD 3.57Å; V37-M198 VanDerWaalsContact CG2-SD 3.57Å; F146-M198 HydrophobicContact CD2-CB 4.2Å; F146-M198 HydrophobicContact CD2-SD 4.03Å; F146-M198 HydrophobicContact CE2-CB 4.08Å; F146-M198 HydrophobicContact CE2-CG 4.32Å; F146-M198 HydrophobicContact CE2-SD 3.51Å; F146-M198 VanDerWaalsContact CE2-SD 3.51Å; F146-M198 HydrophobicContact CZ-SD 4.29Å; F194-M198 WeakPolarHBondContact O-CB 3.41Å; F194-M198 PolarHBondContact O-N 2.54Å; Q195-M198 PolarHBondContact O-N 2.8Å; L196-M198 VanDerWaalsContact C-N 3.3Å; L196-M198 PolarHBondContact O-N 2.9Å; M198-Y201 PolarHBondContact O-N 2.84Å; M198-L202 HydrophobicContact CE-CD1 4.07Å; M198-L202 HydrophobicContact CE-CD2 4.22Å; M198-L202 HydrophobicContact CE-CG 4.16Å; M198-L202 HydrophobicContact CG-CD1 4.33Å; M198-L202 WeakPolarHBondContact O-CB 3.46Å; M198-L202 WeakPolarHBondContact O-CG 3.2Å; M198-L202 PolarHBondContact O-N 2.79Å
199	C	95.6	Very high	94.5	Very high	54 Å²	54	54.7 Å²	54.7	37%	0.365	26%	0.259	S	S	.	.	H	α-helix	trans	-63.1	-50.1	176	-166.7	0	0	0	0	111.8	F10 Q195 L196 Y201 L202 L203	F10-C199 HydrophobicContact CE1-CB 4.37Å; Q195-C199 WeakPolarHBondContact O-CB 3.46Å; Q195-C199 PolarHBondContact O-N 3.05Å; L196-C199 WeakPolarHBondContact O-CB 3.29Å; L196-C199 PolarHBondContact O-N 3.15Å; L196-C199 VanDerWaalsContact O-N 3.12Å; C199-Y201 VanDerWaalsContact C-N 3.32Å; C199-Y201 PolarHBondContact O-N 3.3Å; C199-L202 PolarHBondContact O-N 3Å; C199-L203 WeakPolarHBondContact O-CB 3.08Å; C199-L203 WeakPolarHBondContact O-CG 3.49Å; C199-L203 PolarHBondContact O-N 3.17Å
200	E	95	Very high	94.6	Very high	105 Å²	105	51 Å²	51	49%	0.491	25%	0.246	S	C	.	.	H	α-helix	trans	-56.5	-43.6	175.9	-68.9	-66.2	166.9	0	0	112.1	L196 L203 K204	L196-E200 HydrophobicContact CD1-CG 4.35Å; L196-E200 WeakPolarHBondContact O-CG 3.23Å; L196-E200 PolarHBondContact O-N 2.87Å; E200-L203 PolarHBondContact O-N 2.95Å; E200-K204 PolarHBondContact O-N 3.09Å
201	Y	94.8	Very high	94.6	Very high	7 Å²	7	52.5 Å²	52.5	3%	0.027	25%	0.252	C	S	.	.	H	α-helix	trans	-61.9	-48.7	176	-175	-92.1	0	0	0	111.9	V37 L40 L142 K143 Q197 M198 C199 L203 K204 V205	V37-Y201 HydrophobicContact CB-CE1 4.13Å; V37-Y201 HydrophobicContact CG1-CE1 4Å; V37-Y201 HydrophobicContact CG1-CE2 4.19Å; V37-Y201 HydrophobicContact CG2-CD1 3.81Å; V37-Y201 HydrophobicContact CG2-CE1 3.81Å; V37-Y201 HydrophobicContact CG2-CG 4.43Å; V37-Y201 PolarHBondContact O-OH 3.38Å; V37-Y201 VanDerWaalsContact O-OH 3.12Å; L40-Y201 HydrophobicContact CB-CE1 4.18Å; L40-Y201 HydrophobicContact CD1-CE1 4.09Å; L142-Y201 HydrophobicContact CD2-CE2 4.12Å; L142-Y201 HydrophobicContact CG-CD2 4.07Å; L142-Y201 HydrophobicContact CG-CE2 3.8Å; K143-Y201 HydrophobicContact CB-CE2 4.32Å; Q197-Y201 WeakPolarHBondContact O-CB 3.31Å; Q197-Y201 PolarHBondContact O-N 3.28Å; Q197-Y201 VanDerWaalsContact O-N 3.09Å; M198-Y201 PolarHBondContact O-N 2.84Å; C199-Y201 VanDerWaalsContact C-N 3.32Å; C199-Y201 PolarHBondContact O-N 3.3Å; Y201-L203 VanDerWaalsContact C-N 3.34Å; Y201-L203 PolarHBondContact O-N 3.11Å; Y201-K204 PolarHBondContact O-N 3.25Å; Y201-V205 HydrophobicContact CD1-CG2 3.97Å; Y201-V205 HydrophobicContact CE1-CG2 3.66Å; Y201-V205 HydrophobicContact CE2-CG2 4.46Å; Y201-V205 WeakPolarHBondContact O-CB 3.41Å; Y201-V205 VanDerWaalsContact O-CG2 3.29Å; Y201-V205 WeakPolarHBondContact O-CG2 3.25Å; Y201-V205 PolarHBondContact O-N 3.25Å
202	L	95.3	Very high	94.7	Very high	21 Å²	21	54.7 Å²	54.7	11%	0.11	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-39.4	178.3	-72.2	175.8	0	0	0	112.3	V7 F10 L40 M198 C199 N206	V7-L202 HydrophobicContact CG2-CD1 4.41Å; V7-L202 HydrophobicContact CG2-CD2 4.27Å; F10-L202 HydrophobicContact CD1-CD1 3.59Å; F10-L202 HydrophobicContact CE1-CD1 4.01Å; F10-L202 HydrophobicContact CG-CD1 4.15Å; L40-L202 HydrophobicContact CD1-CD2 4.03Å; M198-L202 HydrophobicContact CE-CD1 4.07Å; M198-L202 HydrophobicContact CE-CD2 4.22Å; M198-L202 HydrophobicContact CE-CG 4.16Å; M198-L202 HydrophobicContact CG-CD1 4.33Å; M198-L202 WeakPolarHBondContact O-CB 3.46Å; M198-L202 WeakPolarHBondContact O-CG 3.2Å; M198-L202 PolarHBondContact O-N 2.79Å; C199-L202 PolarHBondContact O-N 3Å; L202-N206 WeakPolarHBondContact O-CB 3.25Å; L202-N206 PolarHBondContact O-N 3.17Å
203	L	94.5	Very high	94.8	Very high	100 Å²	100	52 Å²	52	52%	0.524	26%	0.263	S	S	.	.	H	α-helix	trans	-61.7	-48.7	174.5	-73.1	170.7	0	0	0	111.2	C199 E200 Y201 V205 N206 E207	C199-L203 WeakPolarHBondContact O-CB 3.08Å; C199-L203 WeakPolarHBondContact O-CG 3.49Å; C199-L203 PolarHBondContact O-N 3.17Å; E200-L203 PolarHBondContact O-N 2.95Å; Y201-L203 VanDerWaalsContact C-N 3.34Å; Y201-L203 PolarHBondContact O-N 3.11Å; L203-V205 PolarHBondContact O-N 3.06Å; L203-N206 PolarHBondContact O-N 3.13Å; L203-N206 VanDerWaalsContact O-N 3.16Å; L203-E207 PolarHBondContact O-N 2.83Å
204	K	93.4	Very high	94.8	Very high	62 Å²	62	52.7 Å²	52.7	27%	0.27	27%	0.273	S	S	.	.	H	α-helix	trans	-68	-37.1	-179.3	-170.9	63.3	-169.9	175.8	0	112.7	D134 L142 E200 Y201 N206 E207 I208	D134-K204 IonicContact OD1-NZ 2.69Å; D134-K204 PolarHBondContact OD1-NZ 3.39Å; L142-K204 HydrophobicContact CD1-CB 4.08Å; L142-K204 HydrophobicContact CD1-CG 3.65Å; E200-K204 PolarHBondContact O-N 3.09Å; Y201-K204 PolarHBondContact O-N 3.25Å; K204-N206 VanDerWaalsContact C-N 3.31Å; K204-N206 PolarHBondContact O-N 2.99Å; K204-E207 VanDerWaalsContact CD-OE2 3.24Å; K204-E207 WeakPolarHBondContact CD-OE2 3.2Å; K204-E207 WeakPolarHBondContact CE-OE2 3.4Å; K204-E207 IonicContact NZ-OE1 3.69Å; K204-E207 PolarHBondContact NZ-OE1 2.79Å; K204-E207 IonicContact NZ-OE2 2.73Å; K204-E207 PolarHBondContact NZ-OE2 2.85Å; K204-E207 PolarHBondContact O-N 2.97Å; K204-I208 HydrophobicContact CG-CD1 4.31Å; K204-I208 WeakPolarHBondContact O-CD1 3.34Å; K204-I208 WeakPolarHBondContact O-CG1 3.5Å; K204-I208 PolarHBondContact O-N 3.22Å
205	V	94	Very high	94.8	Very high	15 Å²	15	56 Å²	56	9%	0.091	29%	0.29	C	S	.	.	H	α-helix	trans	-63.4	-37	172	171.6	0	0	0	0	111.3	L40 L44 Y201 L203 I208 K209	L40-V205 HydrophobicContact CD1-CG1 4.26Å; L40-V205 HydrophobicContact CD2-CG1 4.14Å; L44-V205 HydrophobicContact CD1-CG1 4.36Å; L44-V205 HydrophobicContact CD1-CG2 4.02Å; Y201-V205 HydrophobicContact CD1-CG2 3.97Å; Y201-V205 HydrophobicContact CE1-CG2 3.66Å; Y201-V205 HydrophobicContact CE2-CG2 4.46Å; Y201-V205 WeakPolarHBondContact O-CB 3.41Å; Y201-V205 VanDerWaalsContact O-CG2 3.29Å; Y201-V205 WeakPolarHBondContact O-CG2 3.25Å; Y201-V205 PolarHBondContact O-N 3.25Å; L203-V205 PolarHBondContact O-N 3.06Å; V205-I208 PolarHBondContact O-N 2.77Å; V205-K209 WeakPolarHBondContact O-CB 3.41Å; V205-K209 PolarHBondContact O-N 2.87Å
206	N	94.3	Very high	94.7	Very high	83 Å²	83	56.4 Å²	56.4	44%	0.444	29%	0.293	S	S	.	.	H	α-helix	trans	-69.7	-38.5	176	-170.3	60.9	0	0	0	112.7	L202 L203 K204 K209 I210	L202-N206 WeakPolarHBondContact O-CB 3.25Å; L202-N206 PolarHBondContact O-N 3.17Å; L203-N206 PolarHBondContact O-N 3.13Å; L203-N206 VanDerWaalsContact O-N 3.16Å; K204-N206 VanDerWaalsContact C-N 3.31Å; K204-N206 PolarHBondContact O-N 2.99Å; N206-K209 WeakPolarHBondContact O-CB 3.47Å; N206-K209 PolarHBondContact O-N 3.24Å; N206-I210 WeakPolarHBondContact O-CG1 3.17Å; N206-I210 PolarHBondContact O-N 2.95Å
207	E	93.9	Very high	94.8	Very high	71 Å²	71	57.3 Å²	57.3	33%	0.332	30%	0.298	S	S	.	.	H	α-helix	trans	-59.6	-47.2	171.9	-167.6	-157.2	141.4	0	0	111.4	L203 K204 K209 I210 K211	L203-E207 PolarHBondContact O-N 2.83Å; K204-E207 VanDerWaalsContact CD-OE2 3.24Å; K204-E207 WeakPolarHBondContact CD-OE2 3.2Å; K204-E207 WeakPolarHBondContact CE-OE2 3.4Å; K204-E207 IonicContact NZ-OE1 3.69Å; K204-E207 PolarHBondContact NZ-OE1 2.79Å; K204-E207 IonicContact NZ-OE2 2.73Å; K204-E207 PolarHBondContact NZ-OE2 2.85Å; K204-E207 PolarHBondContact O-N 2.97Å; E207-K209 VanDerWaalsContact C-N 3.27Å; E207-K209 PolarHBondContact O-N 2.82Å; E207-I210 PolarHBondContact O-N 2.93Å; E207-K211 HydrophobicContact CG-CD 4.48Å; E207-K211 PolarHBondContact O-N 3.09Å; E207-K211 WeakPolarHBondContact OE1-CE 3.42Å; E207-K211 IonicContact OE1-NZ 3.15Å; E207-K211 PolarHBondContact OE1-NZ 3.08Å
208	I	94.1	Very high	94.8	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-59.2	-39.1	174.1	-69.5	162.9	0	0	0	111.1	L44 D134 L135 L142 K204 V205 K211 K212	L44-I208 HydrophobicContact CD2-CG2 3.63Å; D134-I208 HydrophobicContact CB-CD1 4.47Å; D134-I208 HydrophobicContact CB-CG1 3.82Å; L135-I208 HydrophobicContact CD2-CG2 3.65Å; L142-I208 HydrophobicContact CD2-CD1 4.25Å; K204-I208 HydrophobicContact CG-CD1 4.31Å; K204-I208 WeakPolarHBondContact O-CD1 3.34Å; K204-I208 WeakPolarHBondContact O-CG1 3.5Å; K204-I208 PolarHBondContact O-N 3.22Å; V205-I208 PolarHBondContact O-N 2.77Å; I208-K211 PolarHBondContact O-N 3.09Å; I208-K212 HydrophobicContact CG2-CD 4.32Å; I208-K212 WeakPolarHBondContact O-CB 3.47Å; I208-K212 VanDerWaalsContact O-CG 3.32Å; I208-K212 WeakPolarHBondContact O-CG 3.13Å; I208-K212 PolarHBondContact O-N 2.98Å
209	K	93.9	Very high	94.9	Very high	134 Å²	134	61.2 Å²	61.2	58%	0.583	32%	0.317	S	S	*	.	H	α-helix	trans	-64	-39.2	178.2	-174.8	-175.8	175.8	-174.1	0	112.6	V205 N206 E207 G213	V205-K209 WeakPolarHBondContact O-CB 3.41Å; V205-K209 PolarHBondContact O-N 2.87Å; N206-K209 WeakPolarHBondContact O-CB 3.47Å; N206-K209 PolarHBondContact O-N 3.24Å; E207-K209 VanDerWaalsContact C-N 3.27Å; E207-K209 PolarHBondContact O-N 2.82Å; K209-G213 PolarHBondContact O-N 3.49Å
210	I	95.3	Very high	94.9	Very high	77 Å²	77	61 Å²	61	40%	0.395	31%	0.312	S	S	.	.	H	α-helix	trans	-65.4	-52.6	174.5	-66.1	164.6	0	0	0	109.5	N206 E207 K212 G213 V214 D215	N206-I210 WeakPolarHBondContact O-CG1 3.17Å; N206-I210 PolarHBondContact O-N 2.95Å; E207-I210 PolarHBondContact O-N 2.93Å; I210-K212 PolarHBondContact O-N 2.83Å; I210-G213 PolarHBondContact O-N 3.48Å; I210-V214 HydrophobicContact CG2-CB 4.46Å; I210-V214 PolarHBondContact O-N 3.43Å; I210-D215 PolarHBondContact O-N 3.47Å
211	K	94.6	Very high	95	Very high	65 Å²	65	59.4 Å²	59.4	28%	0.283	31%	0.306	S	S	.	.	I	π-helix	trans	-59.1	-44.4	-178.2	-72.3	173.5	166.7	177.4	0	113.9	L130 D134 E207 I208 G213 D215 L216	L130-K211 HydrophobicContact CD1-CB 3.97Å; D134-K211 IonicContact OD1-NZ 2.64Å; D134-K211 PolarHBondContact OD1-NZ 3.47Å; D134-K211 WeakPolarHBondContact OD2-CD 3.47Å; D134-K211 IonicContact OD2-NZ 3.6Å; D134-K211 PolarHBondContact OD2-NZ 3.36Å; E207-K211 HydrophobicContact CG-CD 4.48Å; E207-K211 PolarHBondContact O-N 3.09Å; E207-K211 WeakPolarHBondContact OE1-CE 3.42Å; E207-K211 IonicContact OE1-NZ 3.15Å; E207-K211 PolarHBondContact OE1-NZ 3.08Å; I208-K211 PolarHBondContact O-N 3.09Å; K211-G213 VanDerWaalsContact C-N 3.33Å; K211-D215 WeakPolarHBondContact CA-OD2 3.49Å; K211-L216 PolarHBondContact O-N 2.93Å
212	K	94.4	Very high	95.1	Very high	52 Å²	52	63.9 Å²	63.9	23%	0.226	33%	0.325	C	S	.	.	I	π-helix	trans	-76	-19	179.9	80.9	-174	-179.9	178.7	0	114	L44 D47 L51 L130 I208 I210	L44-K212 HydrophobicContact CD2-CD 4.48Å; D47-K212 WeakPolarHBondContact OD2-CE 3.27Å; D47-K212 IonicContact OD2-NZ 2.68Å; D47-K212 PolarHBondContact OD2-NZ 2.95Å; L51-K212 HydrophobicContact CD1-CB 4.23Å; L130-K212 HydrophobicContact CD2-CB 3.92Å; I208-K212 HydrophobicContact CG2-CD 4.32Å; I208-K212 WeakPolarHBondContact O-CB 3.47Å; I208-K212 VanDerWaalsContact O-CG 3.32Å; I208-K212 WeakPolarHBondContact O-CG 3.13Å; I208-K212 PolarHBondContact O-N 2.98Å; I210-K212 PolarHBondContact O-N 2.83Å
213	G	93.6	Very high	95.2	Very high	35 Å²	35	63.6 Å²	63.6	36%	0.361	32%	0.323	S	S	.	.	I	π-helix	trans	-106.6	-76.2	-175.5	0	0	0	0	0	112.6	K209 I210 K211 L217	K209-G213 PolarHBondContact O-N 3.49Å; I210-G213 PolarHBondContact O-N 3.48Å; K211-G213 VanDerWaalsContact C-N 3.33Å; G213-L217 VanDerWaalsContact O-CB 3.25Å; G213-L217 WeakPolarHBondContact O-CB 3.48Å; G213-L217 PolarHBondContact O-N 2.78Å
214	V	95.3	Very high	95.4	Very high	95 Å²	95	64.5 Å²	64.5	58%	0.576	32%	0.323	S	S	*	.	I	π-helix	trans	-67.7	-51.5	-172.3	-177.3	0	0	0	0	110.9	I210 L216 L217 Q218	I210-V214 HydrophobicContact CG2-CB 4.46Å; I210-V214 PolarHBondContact O-N 3.43Å; V214-L216 PolarHBondContact O-N 3.1Å; V214-L217 PolarHBondContact O-N 3.32Å; V214-Q218 WeakPolarHBondContact O-CB 3.49Å; V214-Q218 PolarHBondContact O-N 3.07Å
215	D	95.9	Very high	95.6	Very high	69 Å²	69	67.1 Å²	67.1	37%	0.369	34%	0.336	S	S	.	.	I	π-helix	trans	-68.7	-39.9	-174.4	-57.6	-21.7	0	0	0	111.4	I210 K211 Q218 N219	I210-D215 PolarHBondContact O-N 3.47Å; K211-D215 WeakPolarHBondContact CA-OD2 3.49Å; D215-Q218 PolarHBondContact O-N 3.49Å; D215-N219 WeakPolarHBondContact O-CB 3.4Å; D215-N219 VanDerWaalsContact O-CG 3.23Å; D215-N219 PolarHBondContact O-N 3.04Å; D215-N219 PolarHBondContact O-ND2 2.85Å; D215-N219 VanDerWaalsContact O-ND2 3.14Å
216	L	95	Very high	95.7	Very high	20 Å²	20	67.2 Å²	67.2	11%	0.105	34%	0.338	C	S	.	.	H	α-helix	trans	-63.6	-43.7	175.2	-178	57.5	0	0	0	111.9	L51 M54 L127 K211 V214 N219 L220	L51-L216 HydrophobicContact CD2-CD2 3.58Å; M54-L216 HydrophobicContact CE-CD1 4.37Å; M54-L216 HydrophobicContact SD-CD2 4.41Å; L127-L216 HydrophobicContact CD2-CD1 3.72Å; L127-L216 HydrophobicContact CD2-CD2 4.16Å; L127-L216 HydrophobicContact CG-CD1 4.16Å; K211-L216 PolarHBondContact O-N 2.93Å; V214-L216 PolarHBondContact O-N 3.1Å; L216-N219 PolarHBondContact O-N 3.44Å; L216-L220 WeakPolarHBondContact O-CG 3.29Å; L216-L220 PolarHBondContact O-N 3.32Å
217	L	96	Very high	95.8	Very high	103 Å²	103	65.6 Å²	65.6	54%	0.539	33%	0.328	S	S	.	.	H	α-helix	trans	-63.8	-42.5	174.8	-180	60.5	0	0	0	111.6	G213 V214 N219 L220 I221	G213-L217 VanDerWaalsContact O-CB 3.25Å; G213-L217 WeakPolarHBondContact O-CB 3.48Å; G213-L217 PolarHBondContact O-N 2.78Å; V214-L217 PolarHBondContact O-N 3.32Å; L217-N219 VanDerWaalsContact C-N 3.25Å; L217-N219 PolarHBondContact O-N 3.35Å; L217-L220 PolarHBondContact O-N 2.9Å; L217-I221 HydrophobicContact CD1-CD1 4.46Å; L217-I221 HydrophobicContact CG-CD1 4.16Å; L217-I221 WeakPolarHBondContact O-CG1 3.47Å; L217-I221 PolarHBondContact O-N 3.1Å
218	Q	97	Very high	96	Very high	95 Å²	95	65.2 Å²	65.2	44%	0.444	33%	0.333	S	S	.	.	H	α-helix	trans	-63.2	-32.7	177.5	-175	57.9	85.6	0	0	112.3	V214 D215 K222	V214-Q218 WeakPolarHBondContact O-CB 3.49Å; V214-Q218 PolarHBondContact O-N 3.07Å; D215-Q218 PolarHBondContact O-N 3.49Å; Q218-K222 WeakPolarHBondContact O-CG 3.32Å; Q218-K222 PolarHBondContact O-N 2.72Å
219	N	96.9	Very high	96	Very high	22 Å²	22	69.5 Å²	69.5	12%	0.118	36%	0.355	C	S	.	.	H	α-helix	trans	-75.6	-38.6	173.9	-70.1	-27.1	0	0	0	112.5	I122 I123 D215 L216 L217 I221 K222 Y223	I122-N219 HydrophobicContact CG2-CB 4.12Å; I122-N219 WeakPolarHBondContact CG2-O 3.32Å; I122-N219 WeakPolarHBondContact O-CB 3.44Å; I123-N219 HydrophobicContact CD1-CB 4.31Å; I123-N219 WeakPolarHBondContact CD1-O 3.5Å; D215-N219 WeakPolarHBondContact O-CB 3.4Å; D215-N219 VanDerWaalsContact O-CG 3.23Å; D215-N219 PolarHBondContact O-N 3.04Å; D215-N219 PolarHBondContact O-ND2 2.85Å; D215-N219 VanDerWaalsContact O-ND2 3.14Å; L216-N219 PolarHBondContact O-N 3.44Å; L217-N219 VanDerWaalsContact C-N 3.25Å; L217-N219 PolarHBondContact O-N 3.35Å; N219-I221 VanDerWaalsContact C-N 3.32Å; N219-I221 PolarHBondContact O-N 2.97Å; N219-K222 PolarHBondContact O-N 3.37Å; N219-K222 PolarHBondContact OD1-NZ 3.39Å; N219-Y223 PolarHBondContact O-N 3.04Å
220	L	95.9	Very high	96.2	Very high	50 Å²	50	64.1 Å²	64.1	26%	0.262	33%	0.332	S	S	.	.	H	α-helix	trans	-57.7	-44.4	170.2	-75	166.6	0	0	0	111.6	M54 I123 L216 L217 K222 Y223 F224	M54-L220 HydrophobicContact CE-CD1 4.34Å; M54-L220 HydrophobicContact CE-CD2 4Å; I123-L220 HydrophobicContact CD1-CD2 4Å; I123-L220 HydrophobicContact CD1-CG 4.32Å; L216-L220 WeakPolarHBondContact O-CG 3.29Å; L216-L220 PolarHBondContact O-N 3.32Å; L217-L220 PolarHBondContact O-N 2.9Å; L220-K222 PolarHBondContact O-N 2.87Å; L220-Y223 PolarHBondContact O-N 3.16Å; L220-F224 VanDerWaalsContact O-CD2 3.25Å; L220-F224 WeakPolarHBondContact O-CD2 3.45Å; L220-F224 PolarHBondContact O-N 3.2Å
221	I	97.3	Very high	96.3	Very high	72 Å²	72	66.9 Å²	66.9	37%	0.369	34%	0.341	S	S	.	.	H	α-helix	trans	-58.2	-47.2	175.8	-69.8	164.4	0	0	0	111.3	L217 N219 Y223 F224 H225	L217-I221 HydrophobicContact CD1-CD1 4.46Å; L217-I221 HydrophobicContact CG-CD1 4.16Å; L217-I221 WeakPolarHBondContact O-CG1 3.47Å; L217-I221 PolarHBondContact O-N 3.1Å; N219-I221 VanDerWaalsContact C-N 3.32Å; N219-I221 PolarHBondContact O-N 2.97Å; I221-Y223 VanDerWaalsContact C-N 3.31Å; I221-Y223 PolarHBondContact O-N 3.09Å; I221-F224 PolarHBondContact O-N 2.85Å; I221-H225 PolarHBondContact O-CD2 3.18Å; I221-H225 PolarHBondContact O-N 3.06Å
222	K	97.5	Very high	96.4	Very high	100 Å²	100	69.1 Å²	69.1	44%	0.435	35%	0.353	S	S	.	.	H	α-helix	trans	-58.5	-41.6	175.5	-69	167.7	-166.3	162.6	0	112.2	I122 Q218 N219 L220 H225 A226	I122-K222 HydrophobicContact CD1-CB 4.33Å; I122-K222 HydrophobicContact CG2-CB 3.77Å; I122-K222 HydrophobicContact CG2-CD 4.39Å; Q218-K222 WeakPolarHBondContact O-CG 3.32Å; Q218-K222 PolarHBondContact O-N 2.72Å; N219-K222 PolarHBondContact O-N 3.37Å; N219-K222 PolarHBondContact OD1-NZ 3.39Å; L220-K222 PolarHBondContact O-N 2.87Å; K222-H225 PolarHBondContact O-N 3.11Å; K222-A226 PolarHBondContact O-N 2.74Å
223	Y	97.4	Very high	96.4	Very high	15 Å²	15	69.8 Å²	69.8	6%	0.059	36%	0.359	C	S	.	.	H	α-helix	trans	-69.6	-39.2	179.4	177.2	-106.2	0	0	0	112.6	L115 M119 I123 N219 L220 I221 H225 A226 Q227	L115-Y223 HydrophobicContact CD1-CE2 3.91Å; M119-Y223 HydrophobicContact CB-CD2 4.34Å; M119-Y223 HydrophobicContact CB-CE2 3.7Å; M119-Y223 HydrophobicContact CE-CE1 3.72Å; M119-Y223 HydrophobicContact CE-CE2 4.22Å; M119-Y223 WeakPolarHBondContact CE-OH 3.49Å; M119-Y223 HydrophobicContact CG-CE2 4.33Å; M119-Y223 HydrophobicContact SD-CD1 4.32Å; M119-Y223 HydrophobicContact SD-CD2 4.19Å; M119-Y223 HydrophobicContact SD-CE1 3.94Å; M119-Y223 HydrophobicContact SD-CE2 3.81Å; M119-Y223 HydrophobicContact SD-CG 4.45Å; I123-Y223 HydrophobicContact CD1-CG 4.35Å; I123-Y223 HydrophobicContact CG1-CD1 4.34Å; I123-Y223 HydrophobicContact CG1-CD2 4.39Å; I123-Y223 HydrophobicContact CG1-CG 3.89Å; N219-Y223 PolarHBondContact O-N 3.04Å; L220-Y223 PolarHBondContact O-N 3.16Å; I221-Y223 VanDerWaalsContact C-N 3.31Å; I221-Y223 PolarHBondContact O-N 3.09Å; Y223-H225 VanDerWaalsContact C-N 3.33Å; Y223-H225 PolarHBondContact O-N 3.19Å; Y223-A226 WeakPolarHBondContact O-CB 3.18Å; Y223-A226 PolarHBondContact O-N 3.17Å; Y223-A226 VanDerWaalsContact O-N 3.13Å; Y223-Q227 HydrophobicContact CE1-CG 3.91Å; Y223-Q227 HydrophobicContact CE2-CG 4.37Å; Y223-Q227 PolarHBondContact O-N 3.34Å; Y223-Q227 PolarHBondContact OH-NE2 2.93Å; Y223-Q227 VanDerWaalsContact OH-NE2 3.08Å
224	F	97.3	Very high	96.5	Very high	120 Å²	120	68.6 Å²	68.6	53%	0.526	35%	0.347	S	S	.	.	H	α-helix	trans	-65	-34.9	173	-80.7	-66.9	0	0	0	112.5	L220 I221 Q227 C228	L220-F224 VanDerWaalsContact O-CD2 3.25Å; L220-F224 WeakPolarHBondContact O-CD2 3.45Å; L220-F224 PolarHBondContact O-N 3.2Å; I221-F224 PolarHBondContact O-N 2.85Å; F224-Q227 PolarHBondContact O-N 3.09Å; F224-C228 PolarHBondContact O-N 3.43Å; F224-C228 PolarHBondContact O-SG 3.25Å
225	H	97.6	Very high	96.5	Very high	117 Å²	117	68.7 Å²	68.7	54%	0.542	34%	0.344	S	S	.	.	H	α-helix	trans	-62.5	-40.7	169	-73.7	-60.9	0	0	0	112.5	I221 K222 Y223 Q227 C228 N229	I221-H225 PolarHBondContact O-CD2 3.18Å; I221-H225 PolarHBondContact O-N 3.06Å; K222-H225 PolarHBondContact O-N 3.11Å; Y223-H225 VanDerWaalsContact C-N 3.33Å; Y223-H225 PolarHBondContact O-N 3.19Å; H225-Q227 VanDerWaalsContact C-N 3.34Å; H225-Q227 PolarHBondContact O-N 3.4Å; H225-C228 PolarHBondContact O-N 3.27Å; H225-N229 PolarHBondContact O-N 3.45Å; H225-N229 PolarHBondContact O-OD1 3.27Å
226	A	97	Very high	96.4	Very high	17 Å²	17	70.2 Å²	70.2	14%	0.14	35%	0.347	C	S	.	.	H	α-helix	trans	-62.8	-38.1	174.2	0	0	0	0	0	112.5	N118 K222 Y223 N229 F230	N118-A226 HydrophobicContact CB-CB 4.12Å; K222-A226 PolarHBondContact O-N 2.74Å; Y223-A226 WeakPolarHBondContact O-CB 3.18Å; Y223-A226 PolarHBondContact O-N 3.17Å; Y223-A226 VanDerWaalsContact O-N 3.13Å; A226-N229 PolarHBondContact O-N 3.24Å; A226-F230 WeakPolarHBondContact O-CB 3.42Å; A226-F230 PolarHBondContact O-N 2.86Å
227	Q	96.1	Very high	96.3	Very high	48 Å²	48	69.3 Å²	69.3	22%	0.224	34%	0.343	C	S	.	.	H	α-helix	trans	-62.8	-45.3	171	-75.1	-170.4	-30.6	0	0	112.4	L115 Y223 F224 H225 N229 F230 F231	L115-Q227 HydrophobicContact CD1-CG 3.83Å; Y223-Q227 HydrophobicContact CE1-CG 3.91Å; Y223-Q227 HydrophobicContact CE2-CG 4.37Å; Y223-Q227 PolarHBondContact O-N 3.34Å; Y223-Q227 PolarHBondContact OH-NE2 2.93Å; Y223-Q227 VanDerWaalsContact OH-NE2 3.08Å; F224-Q227 PolarHBondContact O-N 3.09Å; H225-Q227 VanDerWaalsContact C-N 3.34Å; H225-Q227 PolarHBondContact O-N 3.4Å; Q227-N229 VanDerWaalsContact C-N 3.31Å; Q227-N229 PolarHBondContact O-N 3.49Å; Q227-F230 WeakPolarHBondContact O-CB 3.12Å; Q227-F230 PolarHBondContact O-N 3.3Å; Q227-F231 HydrophobicContact CB-CE2 4.4Å; Q227-F231 WeakPolarHBondContact O-CD2 3.35Å; Q227-F231 PolarHBondContact O-N 3.15Å
228	C	97.1	Very high	96.1	Very high	64 Å²	64	68 Å²	68	43%	0.432	34%	0.338	S	S	.	.	H	α-helix	trans	-59.3	-41.7	177.4	-70.2	0	0	0	0	112.2	F224 H225 F231 Q232	F224-C228 PolarHBondContact O-N 3.43Å; F224-C228 PolarHBondContact O-SG 3.25Å; H225-C228 PolarHBondContact O-N 3.27Å; C228-F231 PolarHBondContact O-N 3.1Å; C228-Q232 VanDerWaalsContact O-CG 3.31Å; C228-Q232 WeakPolarHBondContact O-CG 3.24Å; C228-Q232 PolarHBondContact O-N 2.87Å; C228-Q232 VanDerWaalsContact O-N 3.08Å
229	N	96	Very high	95.9	Very high	89 Å²	89	69.2 Å²	69.2	48%	0.476	34%	0.344	S	S	.	.	H	α-helix	trans	-64.2	-48.6	176.4	-65.9	4.1	0	0	0	111	H225 A226 Q227 F231 Q232 D233	H225-N229 PolarHBondContact O-N 3.45Å; H225-N229 PolarHBondContact O-OD1 3.27Å; A226-N229 PolarHBondContact O-N 3.24Å; Q227-N229 VanDerWaalsContact C-N 3.31Å; Q227-N229 PolarHBondContact O-N 3.49Å; N229-F231 VanDerWaalsContact C-N 3.31Å; N229-F231 PolarHBondContact O-N 3.26Å; N229-Q232 PolarHBondContact O-N 3.16Å; N229-D233 PolarHBondContact O-N 3.35Å
230	F	97.3	Very high	95.6	Very high	22 Å²	22	73.7 Å²	73.7	10%	0.096	37%	0.368	C	S	.	.	H	α-helix	trans	-50.7	-48	175.5	165.4	-92.5	0	0	0	112.5	L111 F112 L115 A226 Q227 D233 G234	L111-F230 HydrophobicContact CB-CD2 3.77Å; L111-F230 HydrophobicContact CB-CE2 3.78Å; L111-F230 WeakPolarHBondContact O-CD2 3.33Å; F112-F230 AromaticContact CD1-CE2 3.71Å; F112-F230 HydrophobicContact CD1-CE2 3.71Å; F112-F230 AromaticContact CD1-CZ 3.6Å; F112-F230 HydrophobicContact CD1-CZ 3.6Å; F112-F230 HydrophobicContact CD2-CE2 4.45Å; F112-F230 HydrophobicContact CD2-CZ 4.48Å; F112-F230 HydrophobicContact CE1-CE1 4.23Å; F112-F230 HydrophobicContact CE1-CE2 4.01Å; F112-F230 AromaticContact CE1-CZ 3.39Å; F112-F230 HydrophobicContact CE1-CZ 3.39Å; F112-F230 HydrophobicContact CE2-CZ 4.32Å; F112-F230 AromaticContact CG-CE2 3.95Å; F112-F230 HydrophobicContact CG-CE2 3.95Å; F112-F230 HydrophobicContact CG-CZ 4.15Å; F112-F230 AromaticContact CZ-CZ 3.79Å; F112-F230 HydrophobicContact CZ-CZ 3.79Å; L115-F230 HydrophobicContact CB-CB 4.48Å; L115-F230 HydrophobicContact CB-CD2 4.04Å; L115-F230 HydrophobicContact CB-CG 4.31Å; L115-F230 HydrophobicContact CD1-CB 4.45Å; L115-F230 HydrophobicContact CD2-CB 4.29Å; L115-F230 HydrophobicContact CD2-CD1 3.86Å; L115-F230 HydrophobicContact CD2-CD2 4.08Å; L115-F230 HydrophobicContact CD2-CE1 4.25Å; L115-F230 HydrophobicContact CD2-CE2 4.45Å; L115-F230 HydrophobicContact CD2-CG 3.79Å; A226-F230 WeakPolarHBondContact O-CB 3.42Å; A226-F230 PolarHBondContact O-N 2.86Å; Q227-F230 WeakPolarHBondContact O-CB 3.12Å; Q227-F230 PolarHBondContact O-N 3.3Å; F230-D233 PolarHBondContact O-N 2.82Å; F230-G234 PolarHBondContact O-N 3.46Å
231	F	96.8	Very high	95.2	Very high	134 Å²	134	72.4 Å²	72.4	59%	0.588	36%	0.361	S	S	*	.	H	α-helix	trans	-68.8	-33.8	178.5	-70.4	-61	0	0	0	113.3	Q227 C228 N229 L235	Q227-F231 HydrophobicContact CB-CE2 4.4Å; Q227-F231 WeakPolarHBondContact O-CD2 3.35Å; Q227-F231 PolarHBondContact O-N 3.15Å; C228-F231 PolarHBondContact O-N 3.1Å; N229-F231 VanDerWaalsContact C-N 3.31Å; N229-F231 PolarHBondContact O-N 3.26Å; F231-L235 WeakPolarHBondContact O-CB 3.45Å; F231-L235 PolarHBondContact O-N 3.05Å; F231-L235 VanDerWaalsContact O-N 3.12Å
232	Q	96.8	Very high	94.8	Very high	113 Å²	113	74.6 Å²	74.6	53%	0.528	37%	0.368	S	S	.	.	H	α-helix	trans	-70.4	-38.7	176.3	-74.2	176.2	23.4	0	0	112.4	C228 N229 K236	C228-Q232 VanDerWaalsContact O-CG 3.31Å; C228-Q232 WeakPolarHBondContact O-CG 3.24Å; C228-Q232 PolarHBondContact O-N 2.87Å; C228-Q232 VanDerWaalsContact O-N 3.08Å; N229-Q232 PolarHBondContact O-N 3.16Å; Q232-K236 VanDerWaalsContact O-CE 3.3Å; Q232-K236 WeakPolarHBondContact O-CE 3.49Å; Q232-K236 WeakPolarHBondContact O-CG 3.12Å; Q232-K236 PolarHBondContact O-N 3.02Å
233	D	95.6	Very high	94.5	Very high	65 Å²	65	73.6 Å²	73.6	35%	0.348	37%	0.372	S	S	.	.	H	α-helix	trans	-76.5	-39.5	179.6	-64.9	-34.1	0	0	0	111.4	L111 N229 F230 L235 K236 A237	L111-D233 HydrophobicContact CD1-CB 4.21Å; L111-D233 HydrophobicContact CD2-CB 3.9Å; N229-D233 PolarHBondContact O-N 3.35Å; F230-D233 PolarHBondContact O-N 2.82Å; D233-L235 VanDerWaalsContact C-N 3.31Å; D233-L235 PolarHBondContact O-N 3.27Å; D233-K236 PolarHBondContact O-N 3.05Å; D233-K236 IonicContact OD1-NZ 3.31Å; D233-K236 PolarHBondContact OD1-NZ 3.14Å; D233-A237 PolarHBondContact O-N 2.9Å; D233-A237 VanDerWaalsContact O-N 3.17Å
234	G	95.3	Very high	94	Very high	11 Å²	11	75.3 Å²	75.3	11%	0.113	39%	0.386	C	S	.	.	H	α-helix	trans	-62.3	-34.9	172.6	0	0	0	0	0	113.4	F230 A237 V238	F230-G234 PolarHBondContact O-N 3.46Å; G234-A237 PolarHBondContact O-N 2.95Å; G234-V238 WeakPolarHBondContact O-CG2 3.47Å; G234-V238 PolarHBondContact O-N 3.49Å; G234-V238 VanDerWaalsContact O-N 3.16Å
235	L	94.6	Very high	93.5	Very high	96 Å²	96	73.3 Å²	73.3	50%	0.503	38%	0.38	S	S	.	.	H	α-helix	trans	-63.1	-43.9	173.5	179.1	60.2	0	0	0	111.8	F231 D233 A237 V238 E239	F231-L235 WeakPolarHBondContact O-CB 3.45Å; F231-L235 PolarHBondContact O-N 3.05Å; F231-L235 VanDerWaalsContact O-N 3.12Å; D233-L235 VanDerWaalsContact C-N 3.31Å; D233-L235 PolarHBondContact O-N 3.27Å; L235-A237 VanDerWaalsContact C-N 3.34Å; L235-A237 PolarHBondContact O-N 2.8Å; L235-V238 PolarHBondContact O-N 3.01Å; L235-E239 HydrophobicContact CD1-CG 4.28Å; L235-E239 HydrophobicContact CG-CG 4.46Å; L235-E239 WeakPolarHBondContact O-CG 3.34Å; L235-E239 PolarHBondContact O-N 2.95Å
236	K	94.3	Very high	93.2	Very high	101 Å²	101	73.2 Å²	73.2	44%	0.439	38%	0.38	S	S	.	.	H	α-helix	trans	-61.2	-42	178.3	-63.3	161.5	-158.9	163.7	0	111.6	Q232 D233 V238 E239 N240	Q232-K236 VanDerWaalsContact O-CE 3.3Å; Q232-K236 WeakPolarHBondContact O-CE 3.49Å; Q232-K236 WeakPolarHBondContact O-CG 3.12Å; Q232-K236 PolarHBondContact O-N 3.02Å; D233-K236 PolarHBondContact O-N 3.05Å; D233-K236 IonicContact OD1-NZ 3.31Å; D233-K236 PolarHBondContact OD1-NZ 3.14Å; K236-V238 VanDerWaalsContact C-N 3.34Å; K236-V238 PolarHBondContact O-N 3.45Å; K236-E239 PolarHBondContact O-N 3.34Å; K236-N240 VanDerWaalsContact O-CG 3.23Å; K236-N240 PolarHBondContact O-N 2.87Å; K236-N240 PolarHBondContact O-ND2 3.11Å
237	A	92.4	Very high	92.7	Very high	2 Å²	2	78.2 Å²	78.2	2%	0.017	40%	0.399	C	S	.	.	H	α-helix	trans	-60.3	-42.8	175.6	0	0	0	0	0	111.7	F104 E107 D233 G234 L235 N240 L241	F104-A237 HydrophobicContact CD2-CB 4.26Å; F104-A237 HydrophobicContact CE2-CB 3.9Å; E107-A237 HydrophobicContact CG-CB 4.22Å; D233-A237 PolarHBondContact O-N 2.9Å; D233-A237 VanDerWaalsContact O-N 3.17Å; G234-A237 PolarHBondContact O-N 2.95Å; L235-A237 VanDerWaalsContact C-N 3.34Å; L235-A237 PolarHBondContact O-N 2.8Å; A237-N240 PolarHBondContact O-N 3.27Å; A237-L241 PolarHBondContact O-N 3.24Å
238	V	92.6	Very high	92.3	Very high	74 Å²	74	77.7 Å²	77.7	45%	0.448	40%	0.397	S	S	.	.	H	α-helix	trans	-65.9	-40.7	176.2	171.7	0	0	0	0	111.9	F104 G234 L235 K236 N240 L241 K242	F104-V238 HydrophobicContact CE2-CG2 3.92Å; F104-V238 HydrophobicContact CZ-CG2 3.74Å; G234-V238 WeakPolarHBondContact O-CG2 3.47Å; G234-V238 PolarHBondContact O-N 3.49Å; G234-V238 VanDerWaalsContact O-N 3.16Å; L235-V238 PolarHBondContact O-N 3.01Å; K236-V238 VanDerWaalsContact C-N 3.34Å; K236-V238 PolarHBondContact O-N 3.45Å; V238-N240 VanDerWaalsContact C-N 3.32Å; V238-N240 PolarHBondContact O-N 2.8Å; V238-L241 PolarHBondContact O-N 3.14Å; V238-K242 PolarHBondContact O-N 2.86Å; V238-K242 VanDerWaalsContact O-N 3.08Å
239	E	92.8	Very high	91.8	Very high	122 Å²	122	77.7 Å²	77.7	57%	0.57	40%	0.402	S	S	*	.	H	α-helix	trans	-63.1	-36.9	175.6	-72.2	179.8	147.3	0	0	112	L235 K236 P243	L235-E239 HydrophobicContact CD1-CG 4.28Å; L235-E239 HydrophobicContact CG-CG 4.46Å; L235-E239 WeakPolarHBondContact O-CG 3.34Å; L235-E239 PolarHBondContact O-N 2.95Å; K236-E239 PolarHBondContact O-N 3.34Å; E239-P243 WeakPolarHBondContact O-CD 3.46Å
240	N	89.1	Confident	91.6	Very high	116 Å²	116	77.8 Å²	77.8	62%	0.62	41%	0.406	S	S	*	.	H	α-helix	trans	-67.8	-39.2	173.7	-69.5	-26	0	0	0	112.9	K236 A237 V238	K236-N240 VanDerWaalsContact O-CG 3.23Å; K236-N240 PolarHBondContact O-N 2.87Å; K236-N240 PolarHBondContact O-ND2 3.11Å; A237-N240 PolarHBondContact O-N 3.27Å; V238-N240 VanDerWaalsContact C-N 3.32Å; V238-N240 PolarHBondContact O-N 2.8Å
241	L	88.9	Confident	90.9	Very high	22 Å²	22	79.1 Å²	79.1	12%	0.115	41%	0.414	C	S	.	.	H	α-helix	trans	-70.9	-37	179.9	178.3	64.4	0	0	0	112.5	F101 F104 A237 V238 S244 I245	F101-L241 HydrophobicContact CD1-CD2 4.41Å; F101-L241 HydrophobicContact CE1-CD2 4.45Å; F104-L241 HydrophobicContact CB-CD1 4.26Å; F104-L241 HydrophobicContact CB-CD2 4.07Å; F104-L241 HydrophobicContact CD1-CD2 3.6Å; F104-L241 HydrophobicContact CD2-CB 3.92Å; F104-L241 HydrophobicContact CD2-CD2 3.93Å; F104-L241 HydrophobicContact CD2-CG 4.44Å; F104-L241 HydrophobicContact CE1-CD2 4Å; F104-L241 HydrophobicContact CE2-CB 4.37Å; F104-L241 HydrophobicContact CE2-CD2 4.3Å; F104-L241 HydrophobicContact CG-CB 4.3Å; F104-L241 HydrophobicContact CG-CD2 3.56Å; F104-L241 HydrophobicContact CG-CG 4.33Å; F104-L241 HydrophobicContact CZ-CD2 4.33Å; A237-L241 PolarHBondContact O-N 3.24Å; V238-L241 PolarHBondContact O-N 3.14Å; L241-S244 WeakPolarHBondContact O-CA 3.35Å; L241-S244 VanDerWaalsContact O-CB 3.31Å; L241-S244 WeakPolarHBondContact O-CB 3.49Å; L241-S244 PolarHBondContact O-N 3.21Å; L241-I245 HydrophobicContact CD1-CG1 4.43Å; L241-I245 HydrophobicContact CD2-CD1 3.84Å; L241-I245 HydrophobicContact CD2-CG1 4.3Å; L241-I245 HydrophobicContact CG-CD1 3.89Å; L241-I245 HydrophobicContact CG-CG1 3.98Å; L241-I245 PolarHBondContact O-N 3.43Å
242	K	89.2	Confident	90.3	Very high	118 Å²	118	77.1 Å²	77.1	51%	0.513	41%	0.409	S	S	.	.	H	α-helix	trans	-48.2	-47.5	-168.2	176.3	179.7	171.6	-175.7	0	115.2	V238 S244 I245 E246	V238-K242 PolarHBondContact O-N 2.86Å; V238-K242 VanDerWaalsContact O-N 3.08Å; K242-S244 PolarHBondContact O-N 2.84Å; K242-I245 PolarHBondContact O-N 3.24Å; K242-I245 VanDerWaalsContact O-N 3.14Å; K242-E246 WeakPolarHBondContact CE-OE1 3.25Å; K242-E246 IonicContact NZ-OE1 3.63Å; K242-E246 PolarHBondContact O-N 3.08Å
243	P	90.4	Very high	89.9	Confident	79 Å²	79	77 Å²	77	51%	0.513	41%	0.408	S	S	.	.	H	α-helix	trans	-62.1	-28.7	178.8	-22.9	34.8	0	0	0	113.8	E239 K247	E239-P243 WeakPolarHBondContact O-CD 3.46Å; P243-K247 PolarHBondContact O-N 2.81Å; P243-K247 VanDerWaalsContact O-N 3.1Å
244	S	86.2	Confident	89.6	Confident	52 Å²	52	78.1 Å²	78.1	36%	0.364	42%	0.418	S	S	.	.	H	α-helix	trans	-71.5	-35.5	176.9	-60.3	0	0	0	0	112	L241 K242 L248	L241-S244 WeakPolarHBondContact O-CA 3.35Å; L241-S244 VanDerWaalsContact O-CB 3.31Å; L241-S244 WeakPolarHBondContact O-CB 3.49Å; L241-S244 PolarHBondContact O-N 3.21Å; K242-S244 PolarHBondContact O-N 2.84Å; S244-L248 WeakPolarHBondContact O-CB 3.44Å; S244-L248 PolarHBondContact O-N 3.47Å
245	I	88.4	Confident	89	Confident	78 Å²	78	79.5 Å²	79.5	40%	0.4	42%	0.422	S	S	.	.	H	α-helix	trans	-65.5	-46.2	174.3	-60.6	173.6	0	0	0	110.2	F101 L241 K242 K247 L248 A249	F101-I245 HydrophobicContact CE1-CD1 4.46Å; F101-I245 HydrophobicContact CE1-CG1 4.06Å; F101-I245 HydrophobicContact CZ-CG1 4.4Å; L241-I245 HydrophobicContact CD1-CG1 4.43Å; L241-I245 HydrophobicContact CD2-CD1 3.84Å; L241-I245 HydrophobicContact CD2-CG1 4.3Å; L241-I245 HydrophobicContact CG-CD1 3.89Å; L241-I245 HydrophobicContact CG-CG1 3.98Å; L241-I245 PolarHBondContact O-N 3.43Å; K242-I245 PolarHBondContact O-N 3.24Å; K242-I245 VanDerWaalsContact O-N 3.14Å; I245-K247 PolarHBondContact O-N 3.04Å; I245-L248 PolarHBondContact O-N 3.05Å; I245-A249 WeakPolarHBondContact O-CB 3.4Å; I245-A249 PolarHBondContact O-N 3.42Å
246	E	90.4	Very high	88.6	Confident	115 Å²	115	81 Å²	81	54%	0.537	43%	0.425	S	S	.	.	H	α-helix	trans	-63.4	-39.7	-178.9	-68.4	176.2	173.1	0	0	111.9	K242 T250	K242-E246 WeakPolarHBondContact CE-OE1 3.25Å; K242-E246 IonicContact NZ-OE1 3.63Å; K242-E246 PolarHBondContact O-N 3.08Å; E246-T250 PolarHBondContact O-OG1 3.4Å
247	K	87.6	Confident	88.5	Confident	121 Å²	121	81.6 Å²	81.6	53%	0.526	43%	0.429	S	S	.	.	H	α-helix	trans	-65.4	-51.6	171.3	-167.5	-164	178.9	-65.8	0	111.6	P243 I245 A249 T250 D251	P243-K247 PolarHBondContact O-N 2.81Å; P243-K247 VanDerWaalsContact O-N 3.1Å; I245-K247 PolarHBondContact O-N 3.04Å; K247-A249 VanDerWaalsContact C-N 3.3Å; K247-A249 PolarHBondContact O-N 3.01Å; K247-T250 WeakPolarHBondContact O-CA 3.26Å; K247-T250 VanDerWaalsContact O-CB 3.25Å; K247-T250 WeakPolarHBondContact O-CB 3.44Å; K247-T250 PolarHBondContact O-N 3.35Å; K247-D251 IonicContact NZ-OD1 3.45Å; K247-D251 PolarHBondContact NZ-OD1 3.34Å; K247-D251 IonicContact NZ-OD2 2.96Å; K247-D251 PolarHBondContact NZ-OD2 3.44Å; K247-D251 PolarHBondContact O-N 3.2Å
248	L	86.5	Confident	88.3	Confident	37 Å²	37	84 Å²	84	19%	0.194	45%	0.448	C	S	.	.	H	α-helix	trans	-59.9	-38	-174.9	176.5	61.7	0	0	0	112.9	A97 F101 S244 I245 T250 D251 L252	A97-L248 HydrophobicContact CB-CD1 3.39Å; A97-L248 HydrophobicContact CB-CD2 3.73Å; A97-L248 HydrophobicContact CB-CG 4.21Å; F101-L248 HydrophobicContact CD2-CD2 4.46Å; F101-L248 HydrophobicContact CE2-CD2 3.44Å; F101-L248 VanDerWaalsContact CE2-CD2 3.44Å; F101-L248 HydrophobicContact CZ-CD2 3.84Å; S244-L248 WeakPolarHBondContact O-CB 3.44Å; S244-L248 PolarHBondContact O-N 3.47Å; I245-L248 PolarHBondContact O-N 3.05Å; L248-T250 PolarHBondContact O-N 2.91Å; L248-D251 PolarHBondContact O-N 3.29Å; L248-L252 VanDerWaalsContact O-CB 3.28Å; L248-L252 WeakPolarHBondContact O-CB 3.39Å; L248-L252 PolarHBondContact O-N 3.01Å
249	A	87.3	Confident	87.9	Confident	65 Å²	65	86 Å²	86	54%	0.537	45%	0.453	S	S	.	.	H	α-helix	trans	-60.6	-28.5	175.2	0	0	0	0	0	112.7	I245 K247	I245-A249 WeakPolarHBondContact O-CB 3.4Å; I245-A249 PolarHBondContact O-N 3.42Å; K247-A249 VanDerWaalsContact C-N 3.3Å; K247-A249 PolarHBondContact O-N 3.01Å
250	T	90.4	Very high	87.8	Confident	90 Å²	90	82.6 Å²	82.6	55%	0.552	44%	0.439	S	S	*	.	H	α-helix	trans	-78.9	-49.5	174.1	-50.5	0	0	0	0	110.8	E246 K247 L248 L252 H253 T254	E246-T250 PolarHBondContact O-OG1 3.4Å; K247-T250 WeakPolarHBondContact O-CA 3.26Å; K247-T250 VanDerWaalsContact O-CB 3.25Å; K247-T250 WeakPolarHBondContact O-CB 3.44Å; K247-T250 PolarHBondContact O-N 3.35Å; L248-T250 PolarHBondContact O-N 2.91Å; T250-L252 VanDerWaalsContact C-N 3.34Å; T250-L252 PolarHBondContact O-N 3.1Å; T250-H253 WeakPolarHBondContact O-CB 3.49Å; T250-H253 PolarHBondContact O-N 3.46Å; T250-H253 VanDerWaalsContact O-N 3.07Å; T250-T254 PolarHBondContact O-N 2.95Å
251	D	83.8	Confident	88	Confident	51 Å²	51	81 Å²	81	27%	0.273	43%	0.428	S	S	.	.	H	α-helix	trans	-56.8	-46.7	-180	-58.1	-33.1	0	0	0	111.4	K247 L248 H253 T254 I255	K247-D251 IonicContact NZ-OD1 3.45Å; K247-D251 PolarHBondContact NZ-OD1 3.34Å; K247-D251 IonicContact NZ-OD2 2.96Å; K247-D251 PolarHBondContact NZ-OD2 3.44Å; K247-D251 PolarHBondContact O-N 3.2Å; L248-D251 PolarHBondContact O-N 3.29Å; D251-H253 VanDerWaalsContact C-N 3.26Å; D251-H253 PolarHBondContact O-N 3.35Å; D251-T254 WeakPolarHBondContact O-CB 3.47Å; D251-T254 PolarHBondContact O-N 3.08Å; D251-T254 VanDerWaalsContact O-N 3.11Å; D251-I255 WeakPolarHBondContact O-CG1 3.42Å; D251-I255 PolarHBondContact O-N 2.92Å
252	L	84.6	Confident	88.1	Confident	91 Å²	91	85.6 Å²	85.6	48%	0.476	45%	0.448	S	S	.	.	H	α-helix	trans	-61.7	-31.9	178.1	-174.2	68.5	0	0	0	112.7	L94 L248 T250 K256	L94-L252 HydrophobicContact CD1-CD1 4.31Å; L248-L252 VanDerWaalsContact O-CB 3.28Å; L248-L252 WeakPolarHBondContact O-CB 3.39Å; L248-L252 PolarHBondContact O-N 3.01Å; T250-L252 VanDerWaalsContact C-N 3.34Å; T250-L252 PolarHBondContact O-N 3.1Å; L252-K256 WeakPolarHBondContact O-CB 3.44Å; L252-K256 PolarHBondContact O-N 3.48Å; L252-K256 VanDerWaalsContact O-N 3.1Å
253	H	88.1	Confident	88.1	Confident	111 Å²	111	87.7 Å²	87.7	51%	0.514	45%	0.453	S	S	.	.	H	α-helix	trans	-68.7	-40.1	175.6	-168.8	65.6	0	0	0	111.3	T250 D251 Q257	T250-H253 WeakPolarHBondContact O-CB 3.49Å; T250-H253 PolarHBondContact O-N 3.46Å; T250-H253 VanDerWaalsContact O-N 3.07Å; D251-H253 VanDerWaalsContact C-N 3.26Å; D251-H253 PolarHBondContact O-N 3.35Å; H253-Q257 PolarHBondContact CD2-NE2 3.01Å; H253-Q257 VanDerWaalsContact CD2-NE2 3.26Å; H253-Q257 PolarHBondContact NE2-NE2 3.16Å; H253-Q257 WeakPolarHBondContact O-CG 3.45Å; H253-Q257 PolarHBondContact O-N 3.32Å
254	T	88.1	Confident	88.3	Confident	89 Å²	89	89.3 Å²	89.3	55%	0.546	45%	0.452	S	S	.	.	H	α-helix	trans	-66.4	-46.2	175.6	-63.4	0	0	0	0	112.1	T250 D251 K256 Q257 A258	T250-T254 PolarHBondContact O-N 2.95Å; D251-T254 WeakPolarHBondContact O-CB 3.47Å; D251-T254 PolarHBondContact O-N 3.08Å; D251-T254 VanDerWaalsContact O-N 3.11Å; T254-K256 VanDerWaalsContact C-N 3.3Å; T254-K256 PolarHBondContact O-N 3.29Å; T254-Q257 PolarHBondContact O-N 3.38Å; T254-Q257 VanDerWaalsContact O-N 3.16Å; T254-A258 PolarHBondContact O-N 3.01Å
255	I	83.6	Confident	88.7	Confident	40 Å²	40	92.2 Å²	92.2	21%	0.205	46%	0.46	C	S	.	.	H	α-helix	trans	-56.9	-46	176.2	-65.7	165.2	0	0	0	110.3	D251 Q257 A258 Q259	D251-I255 WeakPolarHBondContact O-CG1 3.42Å; D251-I255 PolarHBondContact O-N 2.92Å; I255-Q257 PolarHBondContact O-N 3.38Å; I255-A258 PolarHBondContact O-N 2.97Å; I255-Q259 PolarHBondContact O-N 3.19Å; I255-Q259 VanDerWaalsContact O-N 3.13Å
256	K	86.5	Confident	88.6	Confident	128 Å²	128	94.2 Å²	94.2	56%	0.557	47%	0.471	S	S	*	.	H	α-helix	trans	-62.5	-41.6	176.9	-176.8	173.3	178.7	175.6	0	112.9	L252 T254 A258 Q259 D260	L252-K256 WeakPolarHBondContact O-CB 3.44Å; L252-K256 PolarHBondContact O-N 3.48Å; L252-K256 VanDerWaalsContact O-N 3.1Å; T254-K256 VanDerWaalsContact C-N 3.3Å; T254-K256 PolarHBondContact O-N 3.29Å; K256-A258 VanDerWaalsContact C-N 3.31Å; K256-A258 PolarHBondContact O-N 3.43Å; K256-Q259 PolarHBondContact O-N 3.27Å; K256-D260 WeakPolarHBondContact O-CB 3.46Å; K256-D260 PolarHBondContact O-N 2.85Å
257	Q	91.9	Very high	88.5	Confident	112 Å²	112	91.4 Å²	91.4	52%	0.523	46%	0.461	S	S	.	.	H	α-helix	trans	-61.6	-38.8	176.4	-76.6	-174	17.9	0	0	112.2	H253 T254 I255 D260 E261	H253-Q257 PolarHBondContact CD2-NE2 3.01Å; H253-Q257 VanDerWaalsContact CD2-NE2 3.26Å; H253-Q257 PolarHBondContact NE2-NE2 3.16Å; H253-Q257 WeakPolarHBondContact O-CG 3.45Å; H253-Q257 PolarHBondContact O-N 3.32Å; T254-Q257 PolarHBondContact O-N 3.38Å; T254-Q257 VanDerWaalsContact O-N 3.16Å; I255-Q257 PolarHBondContact O-N 3.38Å; Q257-D260 PolarHBondContact O-N 2.84Å; Q257-E261 PolarHBondContact O-N 3.31Å; Q257-E261 VanDerWaalsContact O-N 3.09Å
258	A	87.3	Confident	88.7	Confident	52 Å²	52	92.1 Å²	92.1	43%	0.43	47%	0.467	S	S	.	.	H	α-helix	trans	-63.2	-51.7	176.9	0	0	0	0	0	111.5	T254 I255 K256 D260 E261 E262	T254-A258 PolarHBondContact O-N 3.01Å; I255-A258 PolarHBondContact O-N 2.97Å; K256-A258 VanDerWaalsContact C-N 3.31Å; K256-A258 PolarHBondContact O-N 3.43Å; A258-D260 VanDerWaalsContact C-N 3.29Å; A258-D260 PolarHBondContact O-N 2.75Å; A258-E261 PolarHBondContact O-N 3.12Å; A258-E262 PolarHBondContact O-N 3.06Å
259	Q	84.7	Confident	88.8	Confident	117 Å²	117	95 Å²	95	55%	0.547	48%	0.481	S	S	.	.	H	α-helix	trans	-59.8	-37.4	176.4	-68.6	-178.7	-5.2	0	0	112.5	I255 K256 E261 R263	I255-Q259 PolarHBondContact O-N 3.19Å; I255-Q259 VanDerWaalsContact O-N 3.13Å; K256-Q259 PolarHBondContact O-N 3.27Å; Q259-E261 VanDerWaalsContact C-N 3.29Å; Q259-E261 PolarHBondContact O-N 2.88Å; Q259-R263 WeakPolarHBondContact O-CB 3.46Å; Q259-R263 PolarHBondContact O-N 3.4Å
260	D	90.3	Very high	89	Confident	50 Å²	50	97.3 Å²	97.3	27%	0.267	48%	0.476	S	S	.	.	H	α-helix	trans	-66.5	-28.1	175	-97.3	-36.1	0	0	0	113	K256 Q257 A258 R263 K264	K256-D260 WeakPolarHBondContact O-CB 3.46Å; K256-D260 PolarHBondContact O-N 2.85Å; Q257-D260 PolarHBondContact O-N 2.84Å; A258-D260 VanDerWaalsContact C-N 3.29Å; A258-D260 PolarHBondContact O-N 2.75Å; D260-R263 IonicContact OD1-CZ 2.74Å; D260-R263 VanDerWaalsContact OD1-CZ 3.31Å; D260-R263 IonicContact OD1-NE 3.88Å; D260-R263 PolarHBondContact OD1-NE 3.27Å; D260-R263 IonicContact OD1-NH2 2.71Å; D260-R263 PolarHBondContact OD1-NH2 3.18Å; D260-K264 VanDerWaalsContact O-CE 3.31Å; D260-K264 WeakPolarHBondContact O-CE 3.5Å; D260-K264 WeakPolarHBondContact O-CG 3.47Å; D260-K264 PolarHBondContact O-N 3.32Å
261	E	93.7	Very high	88.9	Confident	84 Å²	84	96 Å²	96	39%	0.393	47%	0.466	S	S	.	.	H	α-helix	trans	-81.7	-43.9	175.7	-166.3	58.5	-133.2	0	0	112.2	Q257 A258 Q259 R263 K264 Q265	Q257-E261 PolarHBondContact O-N 3.31Å; Q257-E261 VanDerWaalsContact O-N 3.09Å; A258-E261 PolarHBondContact O-N 3.12Å; Q259-E261 VanDerWaalsContact C-N 3.29Å; Q259-E261 PolarHBondContact O-N 2.88Å; E261-R263 PolarHBondContact O-N 3.35Å; E261-K264 WeakPolarHBondContact O-CA 3.45Å; E261-K264 WeakPolarHBondContact O-CB 3.44Å; E261-K264 PolarHBondContact O-N 3.14Å; E261-K264 WeakPolarHBondContact OE2-CE 3.23Å; E261-K264 IonicContact OE2-NZ 2.76Å; E261-K264 PolarHBondContact OE2-NZ 3.15Å; E261-Q265 WeakPolarHBondContact O-CG 3.36Å; E261-Q265 PolarHBondContact O-N 3.46Å
262	E	90.6	Very high	89.2	Confident	117 Å²	117	97.8 Å²	97.8	55%	0.547	48%	0.479	S	S	.	.	H	α-helix	trans	-55.5	-41.9	171.4	-69.5	-179.2	161	0	0	111.2	A258 K264 Q265 L266	A258-E262 PolarHBondContact O-N 3.06Å; E262-K264 VanDerWaalsContact C-N 3.3Å; E262-K264 PolarHBondContact O-N 3.34Å; E262-Q265 PolarHBondContact O-N 3.02Å; E262-Q265 VanDerWaalsContact O-N 3.16Å; E262-L266 WeakPolarHBondContact O-CB 3.47Å; E262-L266 WeakPolarHBondContact O-CG 3.32Å; E262-L266 PolarHBondContact O-N 2.61Å
263	R	90	Very high	89	Confident	162 Å²	162	98 Å²	98	61%	0.611	48%	0.48	S	S	*	.	H	α-helix	trans	-60.1	-35.2	174.4	-174	169.8	71.1	115	-2.3	112.9	Q259 D260 E261 T267	Q259-R263 WeakPolarHBondContact O-CB 3.46Å; Q259-R263 PolarHBondContact O-N 3.4Å; D260-R263 IonicContact OD1-CZ 2.74Å; D260-R263 VanDerWaalsContact OD1-CZ 3.31Å; D260-R263 IonicContact OD1-NE 3.88Å; D260-R263 PolarHBondContact OD1-NE 3.27Å; D260-R263 IonicContact OD1-NH2 2.71Å; D260-R263 PolarHBondContact OD1-NH2 3.18Å; E261-R263 PolarHBondContact O-N 3.35Å; R263-T267 VanDerWaalsContact O-CB 3.22Å; R263-T267 WeakPolarHBondContact O-CB 3.3Å; R263-T267 PolarHBondContact O-N 3.05Å; R263-T267 VanDerWaalsContact O-N 3.1Å; R263-T267 PolarHBondContact O-OG1 3.36Å
264	K	94.4	Very high	88.5	Confident	114 Å²	114	98.1 Å²	98.1	50%	0.496	48%	0.479	S	S	.	.	H	α-helix	trans	-70.1	-45.2	172.5	-68.1	169.1	-142.9	160	0	111.2	D260 E261 E262 L266 T267 Q268	D260-K264 VanDerWaalsContact O-CE 3.31Å; D260-K264 WeakPolarHBondContact O-CE 3.5Å; D260-K264 WeakPolarHBondContact O-CG 3.47Å; D260-K264 PolarHBondContact O-N 3.32Å; E261-K264 WeakPolarHBondContact O-CA 3.45Å; E261-K264 WeakPolarHBondContact O-CB 3.44Å; E261-K264 PolarHBondContact O-N 3.14Å; E261-K264 WeakPolarHBondContact OE2-CE 3.23Å; E261-K264 IonicContact OE2-NZ 2.76Å; E261-K264 PolarHBondContact OE2-NZ 3.15Å; E262-K264 VanDerWaalsContact C-N 3.3Å; E262-K264 PolarHBondContact O-N 3.34Å; K264-L266 PolarHBondContact O-N 2.79Å; K264-T267 WeakPolarHBondContact O-CB 3.32Å; K264-T267 PolarHBondContact O-N 2.88Å; K264-T267 VanDerWaalsContact O-N 3.15Å; K264-Q268 WeakPolarHBondContact O-CB 3.07Å; K264-Q268 PolarHBondContact O-N 2.95Å
265	Q	94	Very high	88.1	Confident	113 Å²	113	98.1 Å²	98.1	53%	0.528	48%	0.479	S	S	.	.	H	α-helix	trans	-61.1	-46	179.7	-66	175.8	27.5	0	0	111.5	E261 E262 T267 Q268 L269	E261-Q265 WeakPolarHBondContact O-CG 3.36Å; E261-Q265 PolarHBondContact O-N 3.46Å; E262-Q265 PolarHBondContact O-N 3.02Å; E262-Q265 VanDerWaalsContact O-N 3.16Å; Q265-T267 VanDerWaalsContact C-N 3.33Å; Q265-T267 PolarHBondContact O-N 3.47Å; Q265-Q268 PolarHBondContact O-N 3.42Å; Q265-L269 WeakPolarHBondContact O-CB 3.26Å; Q265-L269 PolarHBondContact O-N 2.91Å
266	L	87.8	Confident	87.7	Confident	119 Å²	119	98.9 Å²	98.9	62%	0.623	49%	0.491	S	S	*	.	H	α-helix	trans	-62.9	-38.2	173.9	-69.3	172.3	0	0	0	112.3	E262 K264 R270	E262-L266 WeakPolarHBondContact O-CB 3.47Å; E262-L266 WeakPolarHBondContact O-CG 3.32Å; E262-L266 PolarHBondContact O-N 2.61Å; K264-L266 PolarHBondContact O-N 2.79Å; L266-R270 VanDerWaalsContact O-CB 3.25Å; L266-R270 WeakPolarHBondContact O-CB 3.5Å; L266-R270 PolarHBondContact O-N 2.68Å
267	T	86.6	Confident	86.7	Confident	56 Å²	56	98.1 Å²	98.1	34%	0.344	49%	0.493	S	S	.	.	H	α-helix	trans	-63.4	-44.9	174.7	-68.1	0	0	0	0	111.6	R263 K264 Q265 D271	R263-T267 VanDerWaalsContact O-CB 3.22Å; R263-T267 WeakPolarHBondContact O-CB 3.3Å; R263-T267 PolarHBondContact O-N 3.05Å; R263-T267 VanDerWaalsContact O-N 3.1Å; R263-T267 PolarHBondContact O-OG1 3.36Å; K264-T267 WeakPolarHBondContact O-CB 3.32Å; K264-T267 PolarHBondContact O-N 2.88Å; K264-T267 VanDerWaalsContact O-N 3.15Å; Q265-T267 VanDerWaalsContact C-N 3.33Å; Q265-T267 PolarHBondContact O-N 3.47Å; T267-D271 PolarHBondContact O-N 3.46Å
268	Q	92.8	Very high	85	Confident	137 Å²	137	98.9 Å²	98.9	64%	0.64	50%	0.496	S	S	*	.	H	α-helix	trans	-67	-45.2	177.9	-173.4	177.8	9.3	0	0	111.5	K264 Q265 R270 D271 V272	K264-Q268 WeakPolarHBondContact O-CB 3.07Å; K264-Q268 PolarHBondContact O-N 2.95Å; Q265-Q268 PolarHBondContact O-N 3.42Å; Q268-R270 PolarHBondContact O-N 3.23Å; Q268-D271 PolarHBondContact O-N 3.08Å; Q268-D271 VanDerWaalsContact O-N 3.17Å; Q268-V272 WeakPolarHBondContact O-CG2 3.43Å; Q268-V272 PolarHBondContact O-N 3.46Å
269	L	89.2	Confident	83.3	Confident	96 Å²	96	101.5 Å²	101.5	50%	0.503	51%	0.506	S	S	.	.	H	α-helix	trans	-60.1	-45.3	176.7	178.4	60.1	0	0	0	111.6	Q265 D271 V272 L273	Q265-L269 WeakPolarHBondContact O-CB 3.26Å; Q265-L269 PolarHBondContact O-N 2.91Å; L269-D271 VanDerWaalsContact C-N 3.28Å; L269-D271 PolarHBondContact O-N 3.33Å; L269-V272 PolarHBondContact O-N 3.38Å; L269-L273 HydrophobicContact CD1-CD1 4.14Å; L269-L273 HydrophobicContact CD1-CG 4.23Å; L269-L273 HydrophobicContact CG-CD1 3.99Å; L269-L273 WeakPolarHBondContact O-CB 3.45Å; L269-L273 VanDerWaalsContact O-CG 3.27Å; L269-L273 WeakPolarHBondContact O-CG 3.48Å; L269-L273 PolarHBondContact O-N 2.69Å
270	R	90.9	Very high	81.2	Confident	114 Å²	114	103.9 Å²	103.9	43%	0.43	52%	0.518	S	S	.	.	H	α-helix	trans	-54.3	-43.4	173.5	177.8	-157.8	73.1	-151	0.1	112	L266 Q268 L273 K274	L266-R270 VanDerWaalsContact O-CB 3.25Å; L266-R270 WeakPolarHBondContact O-CB 3.5Å; L266-R270 PolarHBondContact O-N 2.68Å; Q268-R270 PolarHBondContact O-N 3.23Å; R270-L273 PolarHBondContact O-N 3.29Å; R270-K274 WeakPolarHBondContact O-CB 3.39Å; R270-K274 WeakPolarHBondContact O-CG 3.48Å; R270-K274 PolarHBondContact O-N 3.48Å
271	D	88.1	Confident	78.9	Confident	62 Å²	62	109.1 Å²	109.1	33%	0.332	54%	0.541	S	S	.	.	H	α-helix	trans	-79	-30.7	-176	-67	-18.8	0	0	0	112.5	T267 Q268 L269 T275	T267-D271 PolarHBondContact O-N 3.46Å; Q268-D271 PolarHBondContact O-N 3.08Å; Q268-D271 VanDerWaalsContact O-N 3.17Å; L269-D271 VanDerWaalsContact C-N 3.28Å; L269-D271 PolarHBondContact O-N 3.33Å; D271-T275 WeakPolarHBondContact O-CB 3.25Å; D271-T275 PolarHBondContact O-N 3.13Å; D271-T275 PolarHBondContact O-OG1 3.34Å
272	V	90.4	Very high	76.4	Confident	89 Å²	89	113.7 Å²	113.7	54%	0.539	56%	0.559	S	S	.	*	H	α-helix	trans	-62	-47.9	166.1	170.9	0	0	0	0	110.8	Q268 L269 T275 A276	Q268-V272 WeakPolarHBondContact O-CG2 3.43Å; Q268-V272 PolarHBondContact O-N 3.46Å; L269-V272 PolarHBondContact O-N 3.38Å; V272-T275 PolarHBondContact O-N 3.32Å; V272-T275 VanDerWaalsContact O-N 3.14Å; V272-A276 PolarHBondContact O-N 3.08Å
273	L	80.3	Confident	73.8	Confident	96 Å²	96	117.7 Å²	117.7	50%	0.503	58%	0.578	S	S	.	*	H	α-helix	trans	-62.3	-43.7	178.1	-71.1	169.2	0	0	0	112.1	L269 R270 T275 A276 L277	L269-L273 HydrophobicContact CD1-CD1 4.14Å; L269-L273 HydrophobicContact CD1-CG 4.23Å; L269-L273 HydrophobicContact CG-CD1 3.99Å; L269-L273 WeakPolarHBondContact O-CB 3.45Å; L269-L273 VanDerWaalsContact O-CG 3.27Å; L269-L273 WeakPolarHBondContact O-CG 3.48Å; L269-L273 PolarHBondContact O-N 2.69Å; R270-L273 PolarHBondContact O-N 3.29Å; L273-T275 VanDerWaalsContact C-N 3.29Å; L273-T275 PolarHBondContact O-N 3.04Å; L273-A276 PolarHBondContact O-N 3.24Å; L273-L277 VanDerWaalsContact O-CG 3.32Å; L273-L277 WeakPolarHBondContact O-CG 3.31Å; L273-L277 PolarHBondContact O-N 3.38Å
274	K	77.4	Confident	71	Confident	114 Å²	114	117 Å²	117	50%	0.496	59%	0.587	S	S	.	*	H	α-helix	trans	-57.9	-40.5	171.8	-80.2	178.2	175.4	179.9	0	112.5	R270 Q278	R270-K274 WeakPolarHBondContact O-CB 3.39Å; R270-K274 WeakPolarHBondContact O-CG 3.48Å; R270-K274 PolarHBondContact O-N 3.48Å; K274-Q278 WeakPolarHBondContact O-CG 3.45Å; K274-Q278 PolarHBondContact O-N 2.7Å
275	T	78.8	Confident	68	Low	88 Å²	88	116.8 Å²	116.8	54%	0.54	60%	0.599	S	S	.	*	H	α-helix	trans	-69.2	-41.5	-179.7	-55.1	0	0	0	0	111	D271 V272 L273 Q278	D271-T275 WeakPolarHBondContact O-CB 3.25Å; D271-T275 PolarHBondContact O-N 3.13Å; D271-T275 PolarHBondContact O-OG1 3.34Å; V272-T275 PolarHBondContact O-N 3.32Å; V272-T275 VanDerWaalsContact O-N 3.14Å; L273-T275 VanDerWaalsContact C-N 3.29Å; L273-T275 PolarHBondContact O-N 3.04Å; T275-Q278 PolarHBondContact O-N 2.62Å
276	A	75.3	Confident	65.3	Low	57 Å²	57	120.7 Å²	120.7	47%	0.471	62%	0.617	S	S	.	*	H	α-helix	trans	-60.8	-46.7	175.2	0	0	0	0	0	112	V272 L273 Q278 V279	V272-A276 PolarHBondContact O-N 3.08Å; L273-A276 PolarHBondContact O-N 3.24Å; A276-Q278 PolarHBondContact O-N 2.68Å; A276-Q278 VanDerWaalsContact O-N 3.14Å; A276-V279 WeakPolarHBondContact O-CB 3.37Å; A276-V279 PolarHBondContact O-N 3.19Å
277	L	65.8	Low	62.8	Low	112 Å²	112	121.2 Å²	121.2	59%	0.586	63%	0.625	S	S	*	*	H	α-helix	trans	-65.1	-14.1	178	-68.5	167.8	0	0	0	114	L273	L273-L277 VanDerWaalsContact O-CG 3.32Å; L273-L277 WeakPolarHBondContact O-CG 3.31Å; L273-L277 PolarHBondContact O-N 3.38Å
278	Q	56.7	Low	60	Low	127 Å²	127	129.5 Å²	129.5	59%	0.593	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-8.2	173.2	-74	173.8	10	0	0	113.7	K274 T275 A276	K274-Q278 WeakPolarHBondContact O-CG 3.45Å; K274-Q278 PolarHBondContact O-N 2.7Å; T275-Q278 PolarHBondContact O-N 2.62Å; A276-Q278 PolarHBondContact O-N 2.68Å; A276-Q278 VanDerWaalsContact O-N 3.14Å
279	V	50.9	Low	57.4	Low	107 Å²	107	132.7 Å²	132.7	65%	0.648	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-37.7	177.2	-179.4	0	0	0	0	111.3	A276 Q281	A276-V279 WeakPolarHBondContact O-CB 3.37Å; A276-V279 PolarHBondContact O-N 3.19Å; V279-Q281 VanDerWaalsContact C-N 3.32Å; V279-Q281 PolarHBondContact O-N 2.71Å
280	E	40.4	Very low	54.4	Low	167 Å²	167	132.6 Å²	132.6	78%	0.78	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-73.5	-20.5	-178	-62	-175.8	146.4	0	0	113.4	K282	E280-K282 PolarHBondContact O-N 3.04Å; E280-K282 VanDerWaalsContact O-N 3.16Å
281	Q	42.8	Very low	51.7	Low	161 Å²	161	132.1 Å²	132.1	75%	0.752	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-81.3	19.8	-179.2	-65.2	-169.3	-16.8	0	0	114.7	V279	V279-Q281 VanDerWaalsContact C-N 3.32Å; V279-Q281 PolarHBondContact O-N 2.71Å
282	K	40.6	Very low	48.8	Very low	180 Å²	180	135.1 Å²	135.1	78%	0.783	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-109.3	-11.7	-168.8	-103.5	-176.9	177.3	177.9	0	117.8	E280	E280-K282 PolarHBondContact O-N 3.04Å; E280-K282 VanDerWaalsContact O-N 3.16Å
283	E	37.4	Very low	45.9	Very low	201 Å²	201	141.4 Å²	141.4	94%	0.939	73%	0.729	S	S	*	*	S	Bend	trans	-107.8	-7.5	-177.9	-67.7	-159.8	120.1	0	0	115
284	D	31.5	Very low	43.4	Very low	148 Å²	148	141.5 Å²	141.5	79%	0.791	74%	0.738	S	S	*	*	S	Bend	trans	-132.4	158.3	-176.3	-135	-34	0	0	0	114.1
285	S	30.8	Very low	41.6	Very low	108 Å²	108	143.9 Å²	143.9	76%	0.755	76%	0.755	S	S	*	*			trans	68	60.9	178.2	-58.6	0	0	0	0	118	V287	S285-V287 PolarHBondContact O-N 3.1Å
286	Q	37.3	Very low	39.8	Very low	195 Å²	195	146.8 Å²	146.8	91%	0.911	76%	0.762	S	S	*	*			trans	-66.6	108	137.9	-72.5	-174.8	3.6	0	0	108.9
287	V	34	Very low	38.8	Very low	130 Å²	130	147.5 Å²	147.5	79%	0.788	76%	0.756	S	S	*	*			trans	172.8	150.6	147.8	143.4	0	0	0	0	111.1	S285	S285-V287 PolarHBondContact O-N 3.1Å
288	R	29.3	Very low	38.4	Very low	230 Å²	230	146.9 Å²	146.9	87%	0.868	76%	0.759	S	S	*	*			trans	63	95.4	173.6	-84.4	176.2	178.3	173.9	0	117	S290	R288-S290 PolarHBondContact O-N 2.95Å
289	Q	37.3	Very low	38.9	Very low	204 Å²	204	146 Å²	146	95%	0.953	75%	0.754	S	S	*	*			trans	-56.3	125.8	141.5	-64.5	165.1	-29.2	0	0	109.7
290	S	25.5	Very low	40.1	Very low	94 Å²	94	141.2 Å²	141.2	66%	0.657	73%	0.727	S	S	*	*			trans	-129.8	123.8	154.7	56.7	0	0	0	0	107.7	R288 T292	R288-S290 PolarHBondContact O-N 2.95Å; S290-T292 PolarHBondContact O-N 3.44Å
291	A	35.1	Very low	42.1	Very low	105 Å²	105	136.5 Å²	136.5	87%	0.868	71%	0.708	S	S	*	*			trans	-72.4	90.9	-175.2	0	0	0	0	0	111.1
292	T	26.9	Very low	43.8	Very low	125 Å²	125	136.3 Å²	136.3	77%	0.767	70%	0.704	S	S	*	*			trans	-82.4	120.4	171	-45.7	0	0	0	0	108.8	S290 S294	S290-T292 PolarHBondContact O-N 3.44Å; T292-S294 PolarHBondContact O-N 3.43Å
293	Y	29.1	Very low	45.8	Very low	220 Å²	220	135 Å²	135	86%	0.863	70%	0.701	S	S	*	*			trans	-63.6	102.8	177.8	-94.8	-112.9	0	0	0	110.6	L295	Y293-L295 PolarHBondContact O-N 3.33Å
294	S	27.8	Very low	48	Very low	99 Å²	99	127.9 Å²	127.9	69%	0.692	67%	0.667	S	S	*	*			trans	-71.7	107	164.4	-177.1	0	0	0	0	108.6	T292 H296	T292-S294 PolarHBondContact O-N 3.43Å; S294-H296 PolarHBondContact O-N 3.01Å; S294-H296 VanDerWaalsContact O-N 3.11Å
295	L	40	Very low	50.7	Low	163 Å²	163	122.3 Å²	122.3	85%	0.853	65%	0.645	S	S	*	*			trans	-66.8	-9.4	-178.6	-152.5	75.5	0	0	0	113.2	Y293	Y293-L295 PolarHBondContact O-N 3.33Å
296	H	41.5	Very low	53.5	Low	149 Å²	149	119 Å²	119	69%	0.69	62%	0.621	S	S	*	*			trans	-93.8	111.9	178.7	-77.1	60.3	0	0	0	111.3	S294	S294-H296 PolarHBondContact O-N 3.01Å; S294-H296 VanDerWaalsContact O-N 3.11Å
297	Q	54.8	Low	56.1	Low	73 Å²	73	114.1 Å²	114.1	34%	0.341	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-62.6	142.3	165.9	-171.1	169.8	9.4	0	0	109.5	Q299	Q297-Q299 PolarHBondContact O-N 2.96Å
298	P	57.7	Low	59	Low	98 Å²	98	111.5 Å²	111.5	64%	0.636	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-57.2	125.1	-179.8	-27.2	35.6	0	0	0	112.3	Q393	P298-Q393 PolarHBondContact O-NE2 2.86Å
299	Q	66.3	Low	62.1	Low	108 Å²	108	104.2 Å²	104.2	51%	0.505	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-73.3	143.3	177.4	-67.7	-170.4	-13	0	0	110.9	Q297	Q297-Q299 PolarHBondContact O-N 2.96Å
300	G	75.3	Confident	64.8	Low	8 Å²	8	95.6 Å²	95.6	8%	0.082	52%	0.524	C	S	.	.	P	Polyproline II helix	trans	-72.1	163.2	175.1	0	0	0	0	0	112.6	K302 Q393 N394	G300-K302 PolarHBondContact O-N 3.42Å; G300-Q393 VanDerWaalsContact CA-OE1 3.32Å; G300-N394 VanDerWaalsContact C-OD1 3.31Å; G300-N394 VanDerWaalsContact CA-OD1 3.3Å; G300-N394 WeakPolarHBondContact CA-OD1 3.39Å; G300-N394 PolarHBondContact O-OD1 3.25Å
301	N	82.7	Confident	68	Low	68 Å²	68	96.2 Å²	96.2	36%	0.364	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-69.2	118.9	173.2	-176.8	-0.4	0	0	0	110.1	E303 H304 N394	N301-E303 VanDerWaalsContact C-N 3.28Å; N301-E303 PolarHBondContact ND2-OE1 3.49Å; N301-E303 PolarHBondContact O-N 2.98Å; N301-E303 PolarHBondContact OD1-N 3Å; N301-H304 PolarHBondContact ND2-NE2 3.46Å; N301-H304 PolarHBondContact O-N 3.3Å; N301-N394 PolarHBondContact O-ND2 2.62Å
302	K	79.8	Confident	70.8	Confident	157 Å²	157	91.2 Å²	91.2	68%	0.683	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-68.3	-23.4	-171.8	-65.1	-176.5	-179.7	178.7	0	113.6	G300 H304 G305	G300-K302 PolarHBondContact O-N 3.42Å; K302-H304 PolarHBondContact O-N 3.39Å; K302-G305 PolarHBondContact O-N 3.45Å
303	E	80.9	Confident	74	Confident	151 Å²	151	88.2 Å²	88.2	71%	0.706	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-66.5	-16.7	179.8	83.4	-169.2	158.1	0	0	113.3	N301	N301-E303 VanDerWaalsContact C-N 3.28Å; N301-E303 PolarHBondContact ND2-OE1 3.49Å; N301-E303 PolarHBondContact O-N 2.98Å; N301-E303 PolarHBondContact OD1-N 3Å
304	H	84.4	Confident	77	Confident	52 Å²	52	79 Å²	79	24%	0.241	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-88.4	-6.5	-179.9	-58.2	-22.2	0	0	0	114	N301 K302 I387 V391	N301-H304 PolarHBondContact ND2-NE2 3.46Å; N301-H304 PolarHBondContact O-N 3.3Å; K302-H304 PolarHBondContact O-N 3.39Å; H304-I387 HydrophobicContact CB-CG2 4.12Å; H304-V391 HydrophobicContact CB-CG2 3.95Å; H304-V391 WeakPolarHBondContact O-CG2 3.34Å
305	G	88.3	Confident	79.9	Confident	32 Å²	32	77.2 Å²	77.2	33%	0.33	39%	0.394	S	S	.	.			trans	71.6	-169.8	179.1	0	0	0	0	0	114.8	K302 N394	K302-G305 PolarHBondContact O-N 3.45Å; G305-N394 WeakPolarHBondContact O-CB 3.37Å; G305-N394 PolarHBondContact O-ND2 3.31Å
306	T	89.2	Confident	82	Confident	39 Å²	39	70.5 Å²	70.5	24%	0.239	36%	0.361	C	S	.	.	S	Bend	trans	-112.7	-1.2	-172.5	59.7	0	0	0	0	114	N394 S395 E398	T306-N394 HydrophobicContact CG2-CB 4.01Å; T306-S395 WeakPolarHBondContact O-CB 3.21Å; T306-S395 PolarHBondContact O-OG 2.95Å; T306-E398 WeakPolarHBondContact CB-OE2 3.34Å; T306-E398 HydrophobicContact CG2-CB 3.85Å; T306-E398 HydrophobicContact CG2-CG 4.48Å; T306-E398 WeakPolarHBondContact CG2-OE2 3.38Å; T306-E398 PolarHBondContact OG1-OE2 2.89Å
307	E	93.3	Very high	83.3	Confident	92 Å²	92	67.5 Å²	67.5	43%	0.43	35%	0.35	S	S	.	.			trans	-129.4	139.1	179.1	-59.3	-167.1	-167	0	0	112.1	A330 K331	E307-A330 VanDerWaalsContact CA-O 3.32Å; E307-A330 WeakPolarHBondContact CA-O 3.29Å; E307-K331 HydrophobicContact CG-CB 4.37Å; E307-K331 HydrophobicContact CG-CG 4.24Å; E307-K331 IonicContact OE1-NZ 3.35Å; E307-K331 PolarHBondContact OE1-NZ 3.19Å; E307-K331 WeakPolarHBondContact OE2-CD 3.26Å; E307-K331 IonicContact OE2-NZ 2.99Å; E307-K331 PolarHBondContact OE2-NZ 3.13Å
308	R	94.1	Very high	83.8	Confident	74 Å²	74	66.2 Å²	66.2	28%	0.279	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	137.9	173.4	-174.2	172.6	-173.7	80.4	-6.2	110	M329 A330 D384 I387 W388 V391	R308-M329 CarbonylContact O-C 3.56Å; R308-M329 WeakPolarHBondContact O-CA 3.23Å; R308-A330 PolarHBondContact N-O 3.17Å; R308-A330 PolarHBondContact O-N 3.12Å; R308-D384 IonicContact CZ-OD1 3.04Å; R308-D384 IonicContact NE-OD1 2.85Å; R308-D384 IonicContact NH2-OD1 2.71Å; R308-D384 PolarHBondContact NH2-OD1 3.04Å; R308-I387 VanDerWaalsContact CZ-CG2 3.49Å; R308-I387 VanDerWaalsContact NH1-CG2 3.31Å; R308-W388 HydrophobicContact CB-CE3 4.45Å; R308-W388 HydrophobicContact CB-CH2 4.31Å; R308-W388 HydrophobicContact CB-CZ3 4.14Å; R308-W388 HydrophobicContact CG-CD2 4.27Å; R308-W388 HydrophobicContact CG-CE3 4.26Å; R308-W388 HydrophobicContact CG-CH2 3.93Å; R308-W388 HydrophobicContact CG-CZ2 3.93Å; R308-W388 HydrophobicContact CG-CZ3 4.09Å; R308-V391 HydrophobicContact CB-CB 4.24Å; R308-V391 HydrophobicContact CB-CG1 3.77Å; R308-V391 HydrophobicContact CB-CG2 4.23Å
309	S	94.4	Very high	84.1	Confident	78 Å²	78	70.6 Å²	70.6	55%	0.545	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	143.2	168.9	85.7	0	0	0	0	110.3	C328	S309-C328 WeakPolarHBondContact CA-O 3.45Å
310	G	92.8	Very high	84.1	Confident	23 Å²	23	75.5 Å²	75.5	24%	0.237	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.1	-153.2	-175.3	0	0	0	0	0	111.5	K327 C328	G310-K327 WeakPolarHBondContact O-CA 3.18Å; G310-K327 WeakPolarHBondContact O-CG 3.13Å; G310-C328 PolarHBondContact N-O 3.14Å; G310-C328 PolarHBondContact O-N 3.13Å
311	F	93.2	Very high	84.4	Confident	107 Å²	107	82.9 Å²	82.9	47%	0.469	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	140.4	176.1	-66.1	-88.2	0	0	0	110.9	K325 R326 K327	F311-K325 HydrophobicContact CB-CD 4.21Å; F311-K325 HydrophobicContact CB-CG 3.9Å; F311-K325 HydrophobicContact CD1-CG 4.16Å; F311-K325 HydrophobicContact CG-CG 4.35Å; F311-R326 VanDerWaalsContact CA-O 3.27Å; F311-R326 WeakPolarHBondContact CA-O 3.19Å; F311-K327 HydrophobicContact CD1-CB 4.09Å; F311-K327 HydrophobicContact CE1-CB 3.88Å; F311-K327 HydrophobicContact CE1-CG 4.4Å
312	L	94.4	Very high	84.6	Confident	0 Å²	0	83.2 Å²	83.2	0%	0	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	149.9	170.7	-70.9	170.7	0	0	0	109.1	R326 C328 F366 F377 A379 W388	L312-R326 PolarHBondContact N-O 3.08Å; L312-R326 PolarHBondContact O-N 2.89Å; L312-C328 HydrophobicContact CD1-CB 4.17Å; L312-C328 HydrophobicContact CG-CB 4.49Å; L312-F366 HydrophobicContact CD1-CE1 4.35Å; L312-F366 HydrophobicContact CD1-CZ 3.81Å; L312-F366 HydrophobicContact CD2-CE1 4.22Å; L312-F366 HydrophobicContact CD2-CZ 4.5Å; L312-F377 HydrophobicContact CB-CD1 3.83Å; L312-F377 HydrophobicContact CB-CE1 4.4Å; L312-F377 HydrophobicContact CD1-CB 4.47Å; L312-F377 HydrophobicContact CD1-CD1 3.96Å; L312-F377 HydrophobicContact CD1-CE1 4.37Å; L312-F377 HydrophobicContact CD1-CG 4.2Å; L312-A379 HydrophobicContact CD2-CB 4.2Å; L312-W388 HydrophobicContact CD1-CD2 3.96Å; L312-W388 HydrophobicContact CD1-CE3 4.15Å; L312-W388 HydrophobicContact CD1-CG 4.4Å; L312-W388 HydrophobicContact CD1-CZ2 4.38Å; L312-W388 HydrophobicContact CD1-CZ3 4.45Å; L312-W388 HydrophobicContact CD2-CD2 4.28Å; L312-W388 HydrophobicContact CD2-CG 4.1Å; L312-W388 HydrophobicContact CG-CD2 4.3Å; L312-W388 HydrophobicContact CG-CZ2 4.25Å
313	F	93.3	Very high	85.1	Confident	62 Å²	62	79.4 Å²	79.4	27%	0.272	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	116.5	168.8	-67	-94.7	0	0	0	108.9	W323 Q324 K325 F377 Q378	F313-W323 HydrophobicContact CB-CB 4.32Å; F313-W323 HydrophobicContact CB-CE3 4.06Å; F313-W323 HydrophobicContact CD1-CB 4.43Å; F313-W323 WeakPolarHBondContact O-CZ3 3.47Å; F313-Q324 WeakPolarHBondContact CA-O 3.41Å; F313-K325 HydrophobicContact CD1-CB 3.94Å; F313-K325 HydrophobicContact CD1-CG 4.49Å; F313-K325 HydrophobicContact CE1-CB 3.77Å; F313-K325 HydrophobicContact CE1-CD 4.22Å; F313-K325 HydrophobicContact CE1-CG 4.22Å; F313-K325 HydrophobicContact CE2-CD 4.2Å; F313-K325 HydrophobicContact CE2-CG 4.41Å; F313-K325 HydrophobicContact CZ-CB 4.23Å; F313-K325 HydrophobicContact CZ-CD 3.82Å; F313-K325 HydrophobicContact CZ-CG 4.18Å; F313-F377 CarbonylContact O-C 3.58Å; F313-F377 WeakPolarHBondContact O-CA 3.33Å; F313-Q378 HydrophobicContact CB-CB 4.26Å; F313-Q378 PolarHBondContact N-O 3.2Å; F313-Q378 PolarHBondContact O-N 2.89Å
314	K	92.4	Very high	85.5	Confident	26 Å²	26	75.8 Å²	75.8	11%	0.113	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	136.2	169.4	-166.3	-155.7	174.9	-83.5	0	109.7	D317 Q324 R326 Y375 F377	K314-D317 VanDerWaalsContact NZ-CG 3.34Å; K314-D317 IonicContact NZ-OD1 2.73Å; K314-D317 PolarHBondContact NZ-OD1 3.03Å; K314-D317 IonicContact NZ-OD2 2.76Å; K314-D317 PolarHBondContact NZ-OD2 3.13Å; K314-Q324 PolarHBondContact N-O 3.27Å; K314-Q324 PolarHBondContact O-N 3.03Å; K314-R326 HydrophobicContact CB-CG 4.22Å; K314-Y375 HydrophobicContact CD-CD1 4.12Å; K314-F377 HydrophobicContact CB-CD1 4.21Å; K314-F377 HydrophobicContact CB-CE1 4.04Å; K314-F377 HydrophobicContact CG-CD1 4.43Å; K314-F377 HydrophobicContact CG-CE1 4.13Å
315	K	90.1	Very high	85.8	Confident	61 Å²	61	77.9 Å²	77.9	27%	0.265	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	139.2	169	-142.7	165.1	-169.1	163.1	0	110.2	K321 V322 W323 H376	K315-K321 HydrophobicContact CG-CB 4.46Å; K315-V322 CarbonylContact C-O 3.54Å; K315-W323 HydrophobicContact CB-CD2 4.36Å; K315-W323 HydrophobicContact CB-CE3 3.88Å; K315-W323 HydrophobicContact CB-CH2 4.19Å; K315-W323 HydrophobicContact CB-CZ3 3.78Å; K315-W323 HydrophobicContact CD-CH2 4.02Å; K315-W323 HydrophobicContact CD-CZ2 3.91Å; K315-W323 HydrophobicContact CD-CZ3 4.44Å; K315-W323 HydrophobicContact CG-CD2 4.23Å; K315-W323 HydrophobicContact CG-CE3 4.25Å; K315-W323 HydrophobicContact CG-CH2 4.38Å; K315-W323 HydrophobicContact CG-CZ2 4.36Å; K315-W323 HydrophobicContact CG-CZ3 4.32Å; K315-W323 VanDerWaalsContact N-CE3 3.32Å; K315-H376 HydrophobicContact CB-CB 3.84Å; K315-H376 HydrophobicContact CD-CB 4.06Å; K315-H376 PolarHBondContact N-O 2.96Å; K315-H376 VanDerWaalsContact N-O 3.16Å
316	S	83.4	Confident	86	Confident	23 Å²	23	79 Å²	79	16%	0.161	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-84.7	141.8	176.7	60.1	0	0	0	0	112.7	G318 R320 V322	S316-G318 VanDerWaalsContact C-N 3.31Å; S316-G318 PolarHBondContact O-N 3.01Å; S316-R320 PolarHBondContact OG-O 2.94Å; S316-V322 PolarHBondContact N-O 3.47Å; S316-V322 PolarHBondContact OG-N 2.95Å; S316-V322 PolarHBondContact OG-O 3.25Å
317	D	68.5	Low	86.1	Confident	86 Å²	86	82.4 Å²	82.4	46%	0.46	40%	0.4	S	S	.	.			trans	-91	9.2	-173	-44.7	-28.9	0	0	0	112.9	K314 R373	K314-D317 VanDerWaalsContact NZ-CG 3.34Å; K314-D317 IonicContact NZ-OD1 2.73Å; K314-D317 PolarHBondContact NZ-OD1 3.03Å; K314-D317 IonicContact NZ-OD2 2.76Å; K314-D317 PolarHBondContact NZ-OD2 3.13Å; D317-R373 IonicContact OD2-CZ 3.66Å; D317-R373 IonicContact OD2-NE 3.66Å; D317-R373 PolarHBondContact OD2-NE 3.49Å; D317-R373 IonicContact OD2-NH2 2.75Å; D317-R373 PolarHBondContact OD2-NH2 3.47Å
318	G	65.8	Low	86.2	Confident	45 Å²	45	78.1 Å²	78.1	46%	0.464	38%	0.38	S	S	.	.	S	Bend	trans	-88.4	177.2	178.9	0	0	0	0	0	113.7	S316 R320	S316-G318 VanDerWaalsContact C-N 3.31Å; S316-G318 PolarHBondContact O-N 3.01Å; G318-R320 CarbonylContact O-C 3.47Å; G318-R320 VanDerWaalsContact O-C 3.31Å; G318-R320 PolarHBondContact O-N 3.09Å
319	L	63.2	Low	86.2	Confident	191 Å²	191	78.4 Å²	78.4	100%	1	39%	0.386	S	S	*	.	S	Bend	trans	-51.9	-18	179.3	-70.3	167.9	0	0	0	115.1
320	R	67.2	Low	86.2	Confident	211 Å²	211	74.7 Å²	74.7	80%	0.796	36%	0.36	S	S	*	.	S	Bend	trans	-117.6	115.6	164.2	-62	-176.8	-176.7	-178.7	1.2	108.4	S316 G318 V322	S316-R320 PolarHBondContact OG-O 2.94Å; G318-R320 CarbonylContact O-C 3.47Å; G318-R320 VanDerWaalsContact O-C 3.31Å; G318-R320 PolarHBondContact O-N 3.09Å; R320-V322 HydrophobicContact CB-CG2 4.09Å; R320-V322 PolarHBondContact O-N 2.72Å
321	K	81.6	Confident	86	Confident	162 Å²	162	77.6 Å²	77.6	70%	0.704	37%	0.366	S	S	*	.			trans	-81.2	97.3	176.5	-64.6	-174.7	-179.5	-176	0	109.5	K315	K315-K321 HydrophobicContact CG-CB 4.46Å
322	V	86.4	Confident	85.5	Confident	76 Å²	76	76.8 Å²	76.8	46%	0.461	37%	0.367	S	S	.	.			trans	-119.9	139.5	-174.4	-176.5	0	0	0	0	109.7	K315 S316 R320	K315-V322 CarbonylContact C-O 3.54Å; S316-V322 PolarHBondContact N-O 3.47Å; S316-V322 PolarHBondContact OG-N 2.95Å; S316-V322 PolarHBondContact OG-O 3.25Å; R320-V322 HydrophobicContact CB-CG2 4.09Å; R320-V322 PolarHBondContact O-N 2.72Å
323	W	89.8	Confident	85.2	Confident	76 Å²	76	76.9 Å²	76.9	29%	0.288	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	132.1	174.1	-68.3	114.6	0	0	0	111.3	F313 K315 H376 Q378	F313-W323 HydrophobicContact CB-CB 4.32Å; F313-W323 HydrophobicContact CB-CE3 4.06Å; F313-W323 HydrophobicContact CD1-CB 4.43Å; F313-W323 WeakPolarHBondContact O-CZ3 3.47Å; K315-W323 HydrophobicContact CB-CD2 4.36Å; K315-W323 HydrophobicContact CB-CE3 3.88Å; K315-W323 HydrophobicContact CB-CH2 4.19Å; K315-W323 HydrophobicContact CB-CZ3 3.78Å; K315-W323 HydrophobicContact CD-CH2 4.02Å; K315-W323 HydrophobicContact CD-CZ2 3.91Å; K315-W323 HydrophobicContact CD-CZ3 4.44Å; K315-W323 HydrophobicContact CG-CD2 4.23Å; K315-W323 HydrophobicContact CG-CE3 4.25Å; K315-W323 HydrophobicContact CG-CH2 4.38Å; K315-W323 HydrophobicContact CG-CZ2 4.36Å; K315-W323 HydrophobicContact CG-CZ3 4.32Å; K315-W323 VanDerWaalsContact N-CE3 3.32Å; W323-H376 HydrophobicContact CH2-CB 4.23Å; W323-H376 HydrophobicContact CZ3-CB 4.43Å; W323-Q378 HydrophobicContact CE3-CB 4.15Å; W323-Q378 HydrophobicContact CH2-CB 3.85Å; W323-Q378 HydrophobicContact CZ2-CB 4.23Å; W323-Q378 HydrophobicContact CZ3-CB 3.81Å
324	Q	89.3	Confident	85.1	Confident	76 Å²	76	78 Å²	78	36%	0.355	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	120.9	-176.6	-62.9	179.5	-15.8	0	0	110	F313 K314 R326	F313-Q324 WeakPolarHBondContact CA-O 3.41Å; K314-Q324 PolarHBondContact N-O 3.27Å; K314-Q324 PolarHBondContact O-N 3.03Å; Q324-R326 PolarHBondContact O-N 3.41Å
325	K	92.1	Very high	85.2	Confident	95 Å²	95	76.8 Å²	76.8	41%	0.413	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	120.2	178.5	-160.7	166.9	-171	168.1	0	110.3	F311 F313 E380	F311-K325 HydrophobicContact CB-CD 4.21Å; F311-K325 HydrophobicContact CB-CG 3.9Å; F311-K325 HydrophobicContact CD1-CG 4.16Å; F311-K325 HydrophobicContact CG-CG 4.35Å; F313-K325 HydrophobicContact CD1-CB 3.94Å; F313-K325 HydrophobicContact CD1-CG 4.49Å; F313-K325 HydrophobicContact CE1-CB 3.77Å; F313-K325 HydrophobicContact CE1-CD 4.22Å; F313-K325 HydrophobicContact CE1-CG 4.22Å; F313-K325 HydrophobicContact CE2-CD 4.2Å; F313-K325 HydrophobicContact CE2-CG 4.41Å; F313-K325 HydrophobicContact CZ-CB 4.23Å; F313-K325 HydrophobicContact CZ-CD 3.82Å; F313-K325 HydrophobicContact CZ-CG 4.18Å; K325-E380 VanDerWaalsContact CE-OE1 3.31Å; K325-E380 WeakPolarHBondContact CE-OE1 3.33Å; K325-E380 IonicContact NZ-OE1 3.58Å; K325-E380 PolarHBondContact NZ-OE1 2.66Å
326	R	91.4	Very high	85.3	Confident	55 Å²	55	75.6 Å²	75.6	21%	0.208	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	142.2	179.7	-59.4	-49.5	-176.8	-167.9	4.9	109.7	F311 L312 K314 Q324 I337 S338	F311-R326 VanDerWaalsContact CA-O 3.27Å; F311-R326 WeakPolarHBondContact CA-O 3.19Å; L312-R326 PolarHBondContact N-O 3.08Å; L312-R326 PolarHBondContact O-N 2.89Å; K314-R326 HydrophobicContact CB-CG 4.22Å; Q324-R326 PolarHBondContact O-N 3.41Å; R326-I337 HydrophobicContact CB-CG2 4.06Å; R326-I337 HydrophobicContact CG-CG2 4.31Å; R326-S338 WeakPolarHBondContact CD-O 3.46Å
327	K	92.1	Very high	85.7	Confident	112 Å²	112	75 Å²	75	49%	0.487	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	129.1	167.3	-171.1	177.5	-179.3	178.6	0	108	G310 F311 S338	G310-K327 WeakPolarHBondContact O-CA 3.18Å; G310-K327 WeakPolarHBondContact O-CG 3.13Å; F311-K327 HydrophobicContact CD1-CB 4.09Å; F311-K327 HydrophobicContact CE1-CB 3.88Å; F311-K327 HydrophobicContact CE1-CG 4.4Å; K327-S338 PolarHBondContact O-N 3.32Å
328	C	94.7	Very high	86.6	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.007	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.8	-177.3	-65.6	0	0	0	0	110	S309 G310 L312 L335 T336 W388	S309-C328 WeakPolarHBondContact CA-O 3.45Å; G310-C328 PolarHBondContact N-O 3.14Å; G310-C328 PolarHBondContact O-N 3.13Å; L312-C328 HydrophobicContact CD1-CB 4.17Å; L312-C328 HydrophobicContact CG-CB 4.49Å; C328-L335 HydrophobicContact CB-CD1 4.29Å; C328-T336 CarbonylContact C-O 3.55Å; C328-T336 VanDerWaalsContact CA-O 3.3Å; C328-T336 WeakPolarHBondContact CA-O 3.22Å; C328-W388 HydrophobicContact CB-CH2 3.97Å; C328-W388 HydrophobicContact CB-CZ3 4.48Å
329	M	94.2	Very high	87.3	Confident	80 Å²	80	74 Å²	74	39%	0.394	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	115.7	178.5	-176.8	174.2	75.5	0	0	111	R308 T336	R308-M329 CarbonylContact O-C 3.56Å; R308-M329 WeakPolarHBondContact O-CA 3.23Å; M329-T336 PolarHBondContact N-O 3.41Å; M329-T336 PolarHBondContact O-N 2.75Å
330	A	93.8	Very high	87.5	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.3	168.5	0	0	0	0	0	109.1	E307 R308 Y334 L335 W388 V391 L392	E307-A330 VanDerWaalsContact CA-O 3.32Å; E307-A330 WeakPolarHBondContact CA-O 3.29Å; R308-A330 PolarHBondContact N-O 3.17Å; R308-A330 PolarHBondContact O-N 3.12Å; A330-Y334 WeakPolarHBondContact CA-O 3.38Å; A330-L335 HydrophobicContact CB-CD1 4.38Å; A330-W388 HydrophobicContact CB-CZ3 4.47Å; A330-V391 HydrophobicContact CB-CG1 4.3Å; A330-L392 HydrophobicContact CB-CD2 3.98Å
331	K	89.3	Confident	87.5	Confident	84 Å²	84	62 Å²	62	37%	0.365	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	142.2	179.2	177.4	165.7	-177.1	72.3	0	111	E307 G333 Y334	E307-K331 HydrophobicContact CG-CB 4.37Å; E307-K331 HydrophobicContact CG-CG 4.24Å; E307-K331 IonicContact OE1-NZ 3.35Å; E307-K331 PolarHBondContact OE1-NZ 3.19Å; E307-K331 WeakPolarHBondContact OE2-CD 3.26Å; E307-K331 IonicContact OE2-NZ 2.99Å; E307-K331 PolarHBondContact OE2-NZ 3.13Å; K331-G333 VanDerWaalsContact C-N 3.28Å; K331-G333 PolarHBondContact O-N 3.01Å; K331-Y334 PolarHBondContact N-O 2.76Å; K331-Y334 PolarHBondContact O-N 2.79Å
332	N	83.6	Confident	86.5	Confident	91 Å²	91	59.3 Å²	59.3	49%	0.487	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	41.7	177.5	-60.3	28.7	0	0	0	113.8	Y334	N332-Y334 VanDerWaalsContact C-N 3.31Å; N332-Y334 WeakPolarHBondContact O-CD2 3.27Å; N332-Y334 PolarHBondContact O-N 3.01Å
333	G	86.9	Confident	85.4	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.01	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	6.8	-178.2	0	0	0	0	0	116.3	K331 L351 S395	K331-G333 VanDerWaalsContact C-N 3.28Å; K331-G333 PolarHBondContact O-N 3.01Å; G333-L351 VanDerWaalsContact O-CB 3.25Å; G333-L351 WeakPolarHBondContact O-CB 3.37Å; G333-L351 WeakPolarHBondContact O-CG 3.24Å; G333-L351 PolarHBondContact O-N 3.45Å; G333-S395 PolarHBondContact N-OG 3.39Å
334	Y	91.6	Very high	84.7	Confident	87 Å²	87	67.3 Å²	67.3	34%	0.341	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	140	178.4	-63.6	-85.7	0	0	0	112.5	A330 K331 N332 K348 L349 N350	A330-Y334 WeakPolarHBondContact CA-O 3.38Å; K331-Y334 PolarHBondContact N-O 2.76Å; K331-Y334 PolarHBondContact O-N 2.79Å; N332-Y334 VanDerWaalsContact C-N 3.31Å; N332-Y334 WeakPolarHBondContact O-CD2 3.27Å; N332-Y334 PolarHBondContact O-N 3.01Å; Y334-K348 HydrophobicContact CD1-CD 4.16Å; Y334-K348 HydrophobicContact CD1-CG 3.92Å; Y334-K348 HydrophobicContact CG-CD 4.36Å; Y334-K348 HydrophobicContact CG-CG 4.23Å; Y334-L349 CarbonylContact C-O 3.6Å; Y334-L349 VanDerWaalsContact CA-O 3.23Å; Y334-L349 WeakPolarHBondContact CA-O 3.26Å; Y334-N350 HydrophobicContact CD1-CB 4.02Å; Y334-N350 HydrophobicContact CE1-CB 3.75Å
335	L	93.3	Very high	83.9	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.1	164.9	177.3	63.7	0	0	0	110	C328 A330 I337 K348 L349 L351 L368 F377 L392	C328-L335 HydrophobicContact CB-CD1 4.29Å; A330-L335 HydrophobicContact CB-CD1 4.38Å; L335-I337 HydrophobicContact CD2-CD1 4.42Å; L335-I337 HydrophobicContact CD2-CG1 4.34Å; L335-I337 HydrophobicContact CG-CG1 4.15Å; L335-K348 WeakPolarHBondContact O-CA 3.39Å; L335-L349 PolarHBondContact N-O 3.44Å; L335-L349 PolarHBondContact O-N 2.76Å; L335-L351 HydrophobicContact CB-CD2 3.97Å; L335-L368 HydrophobicContact CD2-CD2 3.55Å; L335-F377 HydrophobicContact CD2-CE2 4.23Å; L335-F377 HydrophobicContact CD2-CZ 4.23Å; L335-L392 HydrophobicContact CB-CD2 4.24Å; L335-L392 HydrophobicContact CD1-CD2 4.25Å; L335-L392 HydrophobicContact CD2-CD2 4.17Å; L335-L392 HydrophobicContact CG-CD2 4.45Å
336	T	93.1	Very high	83.5	Confident	35 Å²	35	67 Å²	67	22%	0.215	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.3	177.8	-54.2	0	0	0	0	110.1	C328 M329 P346 A347	C328-T336 CarbonylContact C-O 3.55Å; C328-T336 VanDerWaalsContact CA-O 3.3Å; C328-T336 WeakPolarHBondContact CA-O 3.22Å; M329-T336 PolarHBondContact N-O 3.41Å; M329-T336 PolarHBondContact O-N 2.75Å; T336-P346 HydrophobicContact CG2-CB 3.47Å; T336-P346 VanDerWaalsContact CG2-CB 3.47Å; T336-P346 HydrophobicContact CG2-CG 4.25Å; T336-A347 CarbonylContact C-O 3.56Å; T336-A347 WeakPolarHBondContact CA-O 3.35Å
337	I	92.6	Very high	83.2	Confident	10 Å²	10	65.8 Å²	65.8	5%	0.051	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	112.6	-174.4	-50.9	161.8	0	0	0	109.6	R326 L335 P346 A347 L349 Y375 F377	R326-I337 HydrophobicContact CB-CG2 4.06Å; R326-I337 HydrophobicContact CG-CG2 4.31Å; L335-I337 HydrophobicContact CD2-CD1 4.42Å; L335-I337 HydrophobicContact CD2-CG1 4.34Å; L335-I337 HydrophobicContact CG-CG1 4.15Å; I337-P346 CarbonylContact O-C 3.57Å; I337-P346 VanDerWaalsContact O-CA 3.29Å; I337-P346 WeakPolarHBondContact O-CA 3.32Å; I337-P346 WeakPolarHBondContact O-CB 3.36Å; I337-A347 PolarHBondContact N-O 3.29Å; I337-A347 PolarHBondContact O-N 3.01Å; I337-L349 HydrophobicContact CD1-CD1 3.88Å; I337-Y375 HydrophobicContact CD1-CD1 3.87Å; I337-Y375 HydrophobicContact CD1-CE1 3.86Å; I337-F377 HydrophobicContact CD1-CZ 3.8Å; I337-F377 HydrophobicContact CG1-CZ 4.31Å
338	S	86.8	Confident	83.1	Confident	39 Å²	39	66.8 Å²	66.8	27%	0.273	37%	0.374	S	S	.	.			trans	-71	139.4	179.5	-58.9	0	0	0	0	112.7	R326 K327	R326-S338 WeakPolarHBondContact CD-O 3.46Å; K327-S338 PolarHBondContact O-N 3.32Å
339	H	80.1	Confident	82.8	Confident	71 Å²	71	67.6 Å²	67.6	33%	0.329	38%	0.378	S	S	.	.			trans	-76.1	167.1	168.9	-72	-80.9	0	0	0	112.1	R344 P345	H339-R344 HydrophobicContact CB-CB 4.1Å; H339-R344 HydrophobicContact CB-CG 4.39Å; H339-R344 PolarHBondContact CE1-NE 3.27Å; H339-R344 PolarHBondContact NE2-NE 2.86Å; H339-P345 PolarHBondContact CD2-O 2.69Å
340	G	68	Low	82.5	Confident	56 Å²	56	66 Å²	66	58%	0.577	37%	0.371	S	S	*	.	S	Bend	trans	-80.9	-10.9	179.5	0	0	0	0	0	115.4
341	T	66.6	Low	82.3	Confident	96 Å²	96	66.2 Å²	66.2	59%	0.589	37%	0.372	S	S	*	.	S	Bend	trans	-112	126.7	175.6	46.9	0	0	0	0	108.4	N343 R344	T341-N343 PolarHBondContact O-N 2.95Å; T341-R344 PolarHBondContact O-N 3.25Å
342	A	60.6	Low	82	Confident	104 Å²	104	65.1 Å²	65.1	86%	0.86	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.3	-172.5	0	0	0	0	0	113.8	R344	A342-R344 VanDerWaalsContact C-N 3.33Å; A342-R344 PolarHBondContact O-N 2.71Å
343	N	62.6	Low	81.8	Confident	163 Å²	163	64.7 Å²	64.7	87%	0.872	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	2.4	-174.1	-58.6	13.2	0	0	0	114.2	T341	T341-N343 PolarHBondContact O-N 2.95Å
344	R	75.2	Confident	81.8	Confident	157 Å²	157	64.9 Å²	64.9	59%	0.592	37%	0.372	S	S	*	.	S	Bend	trans	-109.5	122.8	178.5	-172.3	174	174.3	140.5	4.9	110.7	H339 T341 A342	H339-R344 HydrophobicContact CB-CB 4.1Å; H339-R344 HydrophobicContact CB-CG 4.39Å; H339-R344 PolarHBondContact CE1-NE 3.27Å; H339-R344 PolarHBondContact NE2-NE 2.86Å; T341-R344 PolarHBondContact O-N 3.25Å; A342-R344 VanDerWaalsContact C-N 3.33Å; A342-R344 PolarHBondContact O-N 2.71Å
345	P	73.8	Confident	81.6	Confident	103 Å²	103	65.7 Å²	65.7	67%	0.669	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-60.5	139	-178.3	25.2	-34.6	0	0	0	111	H339	H339-P345 PolarHBondContact CD2-O 2.69Å
346	P	83.4	Confident	81.5	Confident	62 Å²	62	66.5 Å²	66.5	40%	0.403	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-54.9	143.4	178.6	-28.3	36.6	0	0	0	113.5	T336 I337	T336-P346 HydrophobicContact CG2-CB 3.47Å; T336-P346 VanDerWaalsContact CG2-CB 3.47Å; T336-P346 HydrophobicContact CG2-CG 4.25Å; I337-P346 CarbonylContact O-C 3.57Å; I337-P346 VanDerWaalsContact O-CA 3.29Å; I337-P346 WeakPolarHBondContact O-CA 3.32Å; I337-P346 WeakPolarHBondContact O-CB 3.36Å
347	A	84.7	Confident	81.3	Confident	29 Å²	29	70.6 Å²	70.6	24%	0.24	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	131.5	171	0	0	0	0	0	109.7	T336 I337	T336-A347 CarbonylContact C-O 3.56Å; T336-A347 WeakPolarHBondContact CA-O 3.35Å; I337-A347 PolarHBondContact N-O 3.29Å; I337-A347 PolarHBondContact O-N 3.01Å
348	K	90	Very high	81.1	Confident	133 Å²	133	73.8 Å²	73.8	58%	0.578	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.6	118.7	-178.7	-176.7	-176.3	174.6	-170.9	0	109.3	Y334 L335	Y334-K348 HydrophobicContact CD1-CD 4.16Å; Y334-K348 HydrophobicContact CD1-CG 3.92Å; Y334-K348 HydrophobicContact CG-CD 4.36Å; Y334-K348 HydrophobicContact CG-CG 4.23Å; L335-K348 WeakPolarHBondContact O-CA 3.39Å
349	L	89.1	Confident	80.9	Confident	18 Å²	18	73.9 Å²	73.9	9%	0.094	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.9	-179.2	-59	175.3	0	0	0	110	Y334 L335 I337 L368 Y375	Y334-L349 CarbonylContact C-O 3.6Å; Y334-L349 VanDerWaalsContact CA-O 3.23Å; Y334-L349 WeakPolarHBondContact CA-O 3.26Å; L335-L349 PolarHBondContact N-O 3.44Å; L335-L349 PolarHBondContact O-N 2.76Å; I337-L349 HydrophobicContact CD1-CD1 3.88Å; L349-L368 HydrophobicContact CD1-CD2 3.75Å; L349-Y375 HydrophobicContact CD1-CD1 4.31Å; L349-Y375 HydrophobicContact CD1-CD2 3.93Å; L349-Y375 HydrophobicContact CD1-CE1 4.13Å; L349-Y375 HydrophobicContact CD1-CE2 3.7Å; L349-Y375 HydrophobicContact CD1-CG 4.25Å; L349-Y375 HydrophobicContact CD2-CE2 3.96Å; L349-Y375 HydrophobicContact CG-CE2 4.48Å
350	N	87.8	Confident	80.5	Confident	48 Å²	48	75.5 Å²	75.5	26%	0.257	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	118.7	173.7	-178.5	-5.9	0	0	0	109.7	Y334 L352 T353 C354	Y334-N350 HydrophobicContact CD1-CB 4.02Å; Y334-N350 HydrophobicContact CE1-CB 3.75Å; N350-L352 VanDerWaalsContact C-N 3.27Å; N350-L352 PolarHBondContact O-N 3.45Å; N350-L352 WeakPolarHBondContact OD1-CB 3Å; N350-L352 PolarHBondContact OD1-N 2.83Å; N350-T353 PolarHBondContact O-N 3.02Å; N350-T353 PolarHBondContact O-OG1 3.05Å; N350-C354 PolarHBondContact O-SG 3.17Å
351	L	88.7	Confident	80.9	Confident	3 Å²	3	81.4 Å²	81.4	2%	0.016	44%	0.44	C	S	.	.	S	Bend	trans	-71.2	-21.9	-175.9	-63	174.8	0	0	0	113	G333 L335 T353 C354 L368 L392 K396	G333-L351 VanDerWaalsContact O-CB 3.25Å; G333-L351 WeakPolarHBondContact O-CB 3.37Å; G333-L351 WeakPolarHBondContact O-CG 3.24Å; G333-L351 PolarHBondContact O-N 3.45Å; L335-L351 HydrophobicContact CB-CD2 3.97Å; L351-T353 VanDerWaalsContact C-N 3.28Å; L351-T353 PolarHBondContact O-N 3.43Å; L351-C354 PolarHBondContact O-N 2.88Å; L351-C354 VanDerWaalsContact O-N 3.12Å; L351-L368 HydrophobicContact CD2-CD1 4.28Å; L351-L368 HydrophobicContact CD2-CD2 4.46Å; L351-L392 HydrophobicContact CD1-CD2 3.99Å; L351-L392 HydrophobicContact CD2-CD2 3.85Å; L351-K396 HydrophobicContact CB-CB 4.09Å; L351-K396 WeakPolarHBondContact O-CD 3.48Å; L351-K396 WeakPolarHBondContact O-CE 3.47Å; L351-K396 WeakPolarHBondContact O-CG 3.22Å
352	L	83.8	Confident	81.6	Confident	61 Å²	61	80.9 Å²	80.9	32%	0.319	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-43.1	171.9	-62.9	177	0	0	0	111	N350 C354 K396 A399 L400	N350-L352 VanDerWaalsContact C-N 3.27Å; N350-L352 PolarHBondContact O-N 3.45Å; N350-L352 WeakPolarHBondContact OD1-CB 3Å; N350-L352 PolarHBondContact OD1-N 2.83Å; L352-C354 VanDerWaalsContact C-N 3.25Å; L352-C354 PolarHBondContact O-N 3.3Å; L352-K396 HydrophobicContact CD2-CG 4.23Å; L352-K396 VanDerWaalsContact O-CE 3.3Å; L352-K396 WeakPolarHBondContact O-CE 3.25Å; L352-K396 PolarHBondContact O-NZ 2.85Å; L352-A399 HydrophobicContact CD1-CB 4.42Å; L352-A399 HydrophobicContact CD2-CB 4Å; L352-A399 HydrophobicContact CG-CB 4.2Å; L352-L400 HydrophobicContact CD2-CB 3.97Å; L352-L400 HydrophobicContact CD2-CD1 4.17Å
353	T	79.5	Confident	82.6	Confident	82 Å²	82	81.2 Å²	81.2	50%	0.503	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	7.2	177.5	53.2	0	0	0	0	114.3	N350 L351	N350-T353 PolarHBondContact O-N 3.02Å; N350-T353 PolarHBondContact O-OG1 3.05Å; L351-T353 VanDerWaalsContact C-N 3.28Å; L351-T353 PolarHBondContact O-N 3.43Å
354	C	86.5	Confident	84	Confident	6 Å²	6	79.9 Å²	79.9	4%	0.041	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	155.1	-177.1	-65	0	0	0	0	113.7	N350 L351 L352 L368 I369 K396	N350-C354 PolarHBondContact O-SG 3.17Å; L351-C354 PolarHBondContact O-N 2.88Å; L351-C354 VanDerWaalsContact O-N 3.12Å; L352-C354 VanDerWaalsContact C-N 3.25Å; L352-C354 PolarHBondContact O-N 3.3Å; C354-L368 HydrophobicContact CB-CD1 3.7Å; C354-L368 HydrophobicContact CB-CG 4.21Å; C354-I369 CarbonylContact C-O 3.51Å; C354-I369 WeakPolarHBondContact CA-O 3.23Å; C354-I369 WeakPolarHBondContact CB-O 3.39Å; C354-K396 PolarHBondContact O-NZ 2.92Å
355	Q	87.7	Confident	84.8	Confident	103 Å²	103	72.6 Å²	72.6	48%	0.481	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	124.6	168.9	-176	178.5	61.6	0	0	109.7	I369	Q355-I369 HydrophobicContact CB-CB 4.4Å; Q355-I369 PolarHBondContact N-O 3.37Å; Q355-I369 PolarHBondContact O-N 3.28Å
356	V	91.3	Very high	85.8	Confident	18 Å²	18	67.7 Å²	67.7	11%	0.109	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	130.7	171.2	-168.7	0	0	0	0	108.6	F366 L368 I389 L392	V356-F366 HydrophobicContact CG1-CD2 4.23Å; V356-L368 HydrophobicContact CG2-CD1 3.82Å; V356-I389 HydrophobicContact CG1-CB 4.32Å; V356-I389 HydrophobicContact CG1-CG1 4.09Å; V356-I389 HydrophobicContact CG1-CG2 3.99Å; V356-L392 HydrophobicContact CG2-CB 3.77Å; V356-L392 HydrophobicContact CG2-CD1 4.45Å
357	K	89.5	Confident	86.2	Confident	121 Å²	121	66.6 Å²	66.6	53%	0.526	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	120.3	178.3	-174.3	179.8	179.4	-176.2	0	110.4	F366 D367	K357-F366 WeakPolarHBondContact O-CA 3.21Å; K357-D367 PolarHBondContact N-O 3.14Å; K357-D367 PolarHBondContact O-N 2.81Å
358	H	86.5	Confident	86.6	Confident	77 Å²	77	65.2 Å²	65.2	36%	0.356	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	139.4	171.4	178.9	-86.8	0	0	0	110.4	P360 I389	H358-P360 WeakPolarHBondContact O-CD 3.47Å; H358-I389 HydrophobicContact CB-CD1 4.08Å
359	N	82.8	Confident	86.6	Confident	40 Å²	40	61.5 Å²	61.5	21%	0.214	30%	0.302	C	S	.	.			trans	-86	115.8	175	-177.3	-2.1	0	0	0	110.6	E361 S365	N359-E361 PolarHBondContact O-N 3.31Å; N359-E361 PolarHBondContact OD1-N 2.98Å; N359-S365 WeakPolarHBondContact CB-O 3.39Å; N359-S365 VanDerWaalsContact CB-OG 3.23Å; N359-S365 WeakPolarHBondContact CB-OG 3.37Å; N359-S365 PolarHBondContact N-O 3.43Å; N359-S365 PolarHBondContact ND2-OG 3.24Å
360	P	73.1	Confident	86.3	Confident	106 Å²	106	61.1 Å²	61.1	69%	0.688	30%	0.301	S	S	*	.	S	Bend	trans	-67.8	-19.8	-179.6	29.1	-35.5	0	0	0	113.9	H358	H358-P360 WeakPolarHBondContact O-CD 3.47Å
361	E	75.2	Confident	85.5	Confident	179 Å²	179	67 Å²	67	84%	0.836	33%	0.327	S	S	*	.	S	Bend	trans	-90	-44.8	-177	-62.3	177.1	-173.7	0	0	112.4	N359	N359-E361 PolarHBondContact O-N 3.31Å; N359-E361 PolarHBondContact OD1-N 2.98Å
362	E	82.7	Confident	84.9	Confident	86 Å²	86	71.6 Å²	71.6	40%	0.402	35%	0.351	S	S	.	.			trans	-112.6	92.6	175.1	-80	-173.8	-140.8	0	0	110.8	R364 S365 Q378	E362-R364 PolarHBondContact O-N 3.45Å; E362-S365 VanDerWaalsContact CB-OG 3.24Å; E362-S365 WeakPolarHBondContact CB-OG 3.47Å; E362-S365 PolarHBondContact O-N 3.38Å; E362-S365 PolarHBondContact O-OG 3.29Å; E362-Q378 PolarHBondContact OE2-NE2 2.62Å
363	K	81.6	Confident	85	Confident	110 Å²	110	73.6 Å²	73.6	48%	0.478	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-19.7	179.4	-69.1	171.1	140.1	-133	0	116.7	S365 E382 C385	K363-S365 VanDerWaalsContact C-N 3.35Å; K363-E382 HydrophobicContact CB-CG 4.24Å; K363-E382 WeakPolarHBondContact CD-OE2 3.31Å; K363-E382 WeakPolarHBondContact CE-OE1 3.22Å; K363-E382 VanDerWaalsContact NZ-CD 3.33Å; K363-E382 IonicContact NZ-OE1 3.73Å; K363-E382 PolarHBondContact NZ-OE1 2.86Å; K363-E382 IonicContact NZ-OE2 3.45Å; K363-E382 PolarHBondContact NZ-OE2 3.41Å; K363-C385 PolarHBondContact O-SG 3.36Å; K363-C385 VanDerWaalsContact O-SG 3.34Å
364	R	91.3	Very high	85.4	Confident	135 Å²	135	72.3 Å²	72.3	51%	0.509	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	4.2	175.8	-57.5	-171.2	-170.2	-158	8.2	113.2	E362 Q378 A379 E380 C385	E362-R364 PolarHBondContact O-N 3.45Å; R364-Q378 HydrophobicContact CB-CG 4.3Å; R364-Q378 CarbonylContact O-C 3.54Å; R364-Q378 WeakPolarHBondContact O-CA 3.48Å; R364-A379 PolarHBondContact O-N 2.86Å; R364-E380 PolarHBondContact NH1-O 3.02Å; R364-C385 VanDerWaalsContact C-SG 3.58Å
365	S	91.6	Very high	85.7	Confident	4 Å²	4	73.1 Å²	73.1	3%	0.028	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	149.7	-173.1	73.5	0	0	0	0	112.6	N359 E362 K363 F377	N359-S365 WeakPolarHBondContact CB-O 3.39Å; N359-S365 VanDerWaalsContact CB-OG 3.23Å; N359-S365 WeakPolarHBondContact CB-OG 3.37Å; N359-S365 PolarHBondContact N-O 3.43Å; N359-S365 PolarHBondContact ND2-OG 3.24Å; E362-S365 VanDerWaalsContact CB-OG 3.24Å; E362-S365 WeakPolarHBondContact CB-OG 3.47Å; E362-S365 PolarHBondContact O-N 3.38Å; E362-S365 PolarHBondContact O-OG 3.29Å; K363-S365 VanDerWaalsContact C-N 3.35Å; S365-F377 WeakPolarHBondContact CA-O 3.48Å; S365-F377 VanDerWaalsContact CB-O 3.25Å; S365-F377 WeakPolarHBondContact CB-O 3.48Å
366	F	94.3	Very high	85.9	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	152.3	176.1	66.7	-91.3	0	0	0	110.4	L312 V356 K357 F377 W388 I389 L392	L312-F366 HydrophobicContact CD1-CE1 4.35Å; L312-F366 HydrophobicContact CD1-CZ 3.81Å; L312-F366 HydrophobicContact CD2-CE1 4.22Å; L312-F366 HydrophobicContact CD2-CZ 4.5Å; V356-F366 HydrophobicContact CG1-CD2 4.23Å; K357-F366 WeakPolarHBondContact O-CA 3.21Å; F366-F377 HydrophobicContact CD1-CB 4.28Å; F366-F377 HydrophobicContact CD2-CB 4.3Å; F366-F377 HydrophobicContact CD2-CD2 4.35Å; F366-F377 HydrophobicContact CE1-CB 3.91Å; F366-F377 HydrophobicContact CE2-CB 3.93Å; F366-F377 AromaticContact CE2-CD2 3.7Å; F366-F377 HydrophobicContact CE2-CD2 3.7Å; F366-F377 HydrophobicContact CE2-CG 4.13Å; F366-F377 HydrophobicContact CG-CB 4.47Å; F366-F377 HydrophobicContact CZ-CB 3.73Å; F366-F377 HydrophobicContact CZ-CD2 4.1Å; F366-F377 HydrophobicContact CZ-CG 4.1Å; F366-F377 PolarHBondContact N-O 3.14Å; F366-F377 PolarHBondContact O-N 2.78Å; F366-W388 HydrophobicContact CE1-CB 3.95Å; F366-W388 HydrophobicContact CZ-CB 4.12Å; F366-I389 HydrophobicContact CB-CD1 3.96Å; F366-I389 HydrophobicContact CB-CG1 3.97Å; F366-I389 HydrophobicContact CD1-CG1 4.14Å; F366-I389 HydrophobicContact CD2-CG1 4.49Å; F366-I389 HydrophobicContact CG-CD1 4.41Å; F366-I389 HydrophobicContact CG-CG1 3.97Å; F366-L392 HydrophobicContact CE2-CD1 3.65Å; F366-L392 HydrophobicContact CZ-CD1 4.02Å
367	D	93.4	Very high	86.1	Confident	39 Å²	39	70.4 Å²	70.4	21%	0.209	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	132	175.8	-72.2	-15.6	0	0	0	109.5	K357 T374 H376	K357-D367 PolarHBondContact N-O 3.14Å; K357-D367 PolarHBondContact O-N 2.81Å; D367-T374 HydrophobicContact CB-CG2 3.95Å; D367-H376 IonicContact OD1-CE1 3.26Å; D367-H376 IonicContact OD1-CG 2.68Å; D367-H376 IonicContact OD1-ND1 3.56Å; D367-H376 PolarHBondContact OD1-ND1 2.99Å; D367-H376 IonicContact OD2-CE1 2.76Å; D367-H376 IonicContact OD2-ND1 3.47Å
368	L	92.4	Very high	86.3	Confident	0 Å²	0	67 Å²	67	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	106.1	164.5	-176.7	74	0	0	0	108	L335 L349 L351 C354 V356 Y375 F377	L335-L368 HydrophobicContact CD2-CD2 3.55Å; L349-L368 HydrophobicContact CD1-CD2 3.75Å; L351-L368 HydrophobicContact CD2-CD1 4.28Å; L351-L368 HydrophobicContact CD2-CD2 4.46Å; C354-L368 HydrophobicContact CB-CD1 3.7Å; C354-L368 HydrophobicContact CB-CG 4.21Å; V356-L368 HydrophobicContact CG2-CD1 3.82Å; L368-Y375 PolarHBondContact N-O 2.94Å; L368-Y375 PolarHBondContact O-N 2.77Å; L368-F377 HydrophobicContact CB-CD2 4.38Å; L368-F377 HydrophobicContact CB-CE2 4.14Å; L368-F377 HydrophobicContact CD2-CE2 4.43Å
369	I	89.2	Confident	86.7	Confident	55 Å²	55	63.5 Å²	63.5	28%	0.282	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129.2	177.9	-53.8	168	0	0	0	107.7	C354 Q355 T374	C354-I369 CarbonylContact C-O 3.51Å; C354-I369 WeakPolarHBondContact CA-O 3.23Å; C354-I369 WeakPolarHBondContact CB-O 3.39Å; Q355-I369 HydrophobicContact CB-CB 4.4Å; Q355-I369 PolarHBondContact N-O 3.37Å; Q355-I369 PolarHBondContact O-N 3.28Å; I369-T374 HydrophobicContact CG1-CG2 4.08Å
370	S	83	Confident	87.1	Confident	10 Å²	10	66.4 Å²	66.4	7%	0.07	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	163.1	173	48.5	0	0	0	0	109.2	D372 R373	S370-D372 PolarHBondContact O-N 3.08Å; S370-R373 PolarHBondContact N-O 3.45Å; S370-R373 PolarHBondContact O-N 3.45Å; S370-R373 VanDerWaalsContact O-N 3.07Å; S370-R373 VanDerWaalsContact O-O 3.08Å; S370-R373 PolarHBondContact OG-O 3.1Å
371	H	72.1	Confident	88	Confident	173 Å²	173	64.8 Å²	64.8	80%	0.801	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.3	-37.1	-171.8	70.5	-42	0	0	0	116
372	D	75.8	Confident	88.7	Confident	98 Å²	98	60.9 Å²	60.9	52%	0.524	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-9.7	-176.1	69	-51.8	0	0	0	113.8	S370	S370-D372 PolarHBondContact O-N 3.08Å
373	R	85.1	Confident	89	Confident	104 Å²	104	63.8 Å²	63.8	39%	0.392	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	145	-164.5	-150.8	-165.5	-151.7	88.1	4.1	114.4	D317 S370 Y375	D317-R373 IonicContact OD2-CZ 3.66Å; D317-R373 IonicContact OD2-NE 3.66Å; D317-R373 PolarHBondContact OD2-NE 3.49Å; D317-R373 IonicContact OD2-NH2 2.75Å; D317-R373 PolarHBondContact OD2-NH2 3.47Å; S370-R373 PolarHBondContact N-O 3.45Å; S370-R373 PolarHBondContact O-N 3.45Å; S370-R373 VanDerWaalsContact O-N 3.07Å; S370-R373 VanDerWaalsContact O-O 3.08Å; S370-R373 PolarHBondContact OG-O 3.1Å; R373-Y375 HydrophobicContact CB-CD2 4.33Å; R373-Y375 HydrophobicContact CB-CE2 3.83Å; R373-Y375 VanDerWaalsContact CD-CE2 3.43Å; R373-Y375 VanDerWaalsContact CD-CZ 3.42Å; R373-Y375 HydrophobicContact CG-CD2 4.47Å; R373-Y375 HydrophobicContact CG-CE2 4.09Å
374	T	89.4	Confident	89.5	Confident	54 Å²	54	59.5 Å²	59.5	33%	0.331	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130.3	163.5	-55.8	0	0	0	0	111.2	D367 I369	D367-T374 HydrophobicContact CB-CG2 3.95Å; I369-T374 HydrophobicContact CG1-CG2 4.08Å
375	Y	91.6	Very high	89.5	Confident	24 Å²	24	53.1 Å²	53.1	9%	0.094	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	102.9	175.7	-69.8	-107.4	0	0	0	110.2	K314 I337 L349 L368 R373 F377	K314-Y375 HydrophobicContact CD-CD1 4.12Å; I337-Y375 HydrophobicContact CD1-CD1 3.87Å; I337-Y375 HydrophobicContact CD1-CE1 3.86Å; L349-Y375 HydrophobicContact CD1-CD1 4.31Å; L349-Y375 HydrophobicContact CD1-CD2 3.93Å; L349-Y375 HydrophobicContact CD1-CE1 4.13Å; L349-Y375 HydrophobicContact CD1-CE2 3.7Å; L349-Y375 HydrophobicContact CD1-CG 4.25Å; L349-Y375 HydrophobicContact CD2-CE2 3.96Å; L349-Y375 HydrophobicContact CG-CE2 4.48Å; L368-Y375 PolarHBondContact N-O 2.94Å; L368-Y375 PolarHBondContact O-N 2.77Å; R373-Y375 HydrophobicContact CB-CD2 4.33Å; R373-Y375 HydrophobicContact CB-CE2 3.83Å; R373-Y375 VanDerWaalsContact CD-CE2 3.43Å; R373-Y375 VanDerWaalsContact CD-CZ 3.42Å; R373-Y375 HydrophobicContact CG-CD2 4.47Å; R373-Y375 HydrophobicContact CG-CE2 4.09Å; Y375-F377 HydrophobicContact CD1-CZ 4.36Å; Y375-F377 HydrophobicContact CG-CE2 4.44Å; Y375-F377 WeakPolarHBondContact O-CD2 3.36Å
376	H	93	Very high	89.5	Confident	64 Å²	64	57.4 Å²	57.4	30%	0.296	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	121.7	171.8	-53.4	-64.1	0	0	0	110.9	K315 W323 D367	K315-H376 HydrophobicContact CB-CB 3.84Å; K315-H376 HydrophobicContact CD-CB 4.06Å; K315-H376 PolarHBondContact N-O 2.96Å; K315-H376 VanDerWaalsContact N-O 3.16Å; W323-H376 HydrophobicContact CH2-CB 4.23Å; W323-H376 HydrophobicContact CZ3-CB 4.43Å; D367-H376 IonicContact OD1-CE1 3.26Å; D367-H376 IonicContact OD1-CG 2.68Å; D367-H376 IonicContact OD1-ND1 3.56Å; D367-H376 PolarHBondContact OD1-ND1 2.99Å; D367-H376 IonicContact OD2-CE1 2.76Å; D367-H376 IonicContact OD2-ND1 3.47Å
377	F	95.1	Very high	89.4	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	150.5	176	-70	-72.8	0	0	0	112.3	L312 F313 K314 L335 I337 S365 F366 L368 Y375	L312-F377 HydrophobicContact CB-CD1 3.83Å; L312-F377 HydrophobicContact CB-CE1 4.4Å; L312-F377 HydrophobicContact CD1-CB 4.47Å; L312-F377 HydrophobicContact CD1-CD1 3.96Å; L312-F377 HydrophobicContact CD1-CE1 4.37Å; L312-F377 HydrophobicContact CD1-CG 4.2Å; F313-F377 CarbonylContact O-C 3.58Å; F313-F377 WeakPolarHBondContact O-CA 3.33Å; K314-F377 HydrophobicContact CB-CD1 4.21Å; K314-F377 HydrophobicContact CB-CE1 4.04Å; K314-F377 HydrophobicContact CG-CD1 4.43Å; K314-F377 HydrophobicContact CG-CE1 4.13Å; L335-F377 HydrophobicContact CD2-CE2 4.23Å; L335-F377 HydrophobicContact CD2-CZ 4.23Å; I337-F377 HydrophobicContact CD1-CZ 3.8Å; I337-F377 HydrophobicContact CG1-CZ 4.31Å; S365-F377 WeakPolarHBondContact CA-O 3.48Å; S365-F377 VanDerWaalsContact CB-O 3.25Å; S365-F377 WeakPolarHBondContact CB-O 3.48Å; F366-F377 HydrophobicContact CD1-CB 4.28Å; F366-F377 HydrophobicContact CD2-CB 4.3Å; F366-F377 HydrophobicContact CD2-CD2 4.35Å; F366-F377 HydrophobicContact CE1-CB 3.91Å; F366-F377 HydrophobicContact CE2-CB 3.93Å; F366-F377 AromaticContact CE2-CD2 3.7Å; F366-F377 HydrophobicContact CE2-CD2 3.7Å; F366-F377 HydrophobicContact CE2-CG 4.13Å; F366-F377 HydrophobicContact CG-CB 4.47Å; F366-F377 HydrophobicContact CZ-CB 3.73Å; F366-F377 HydrophobicContact CZ-CD2 4.1Å; F366-F377 HydrophobicContact CZ-CG 4.1Å; F366-F377 PolarHBondContact N-O 3.14Å; F366-F377 PolarHBondContact O-N 2.78Å; L368-F377 HydrophobicContact CB-CD2 4.38Å; L368-F377 HydrophobicContact CB-CE2 4.14Å; L368-F377 HydrophobicContact CD2-CE2 4.43Å; Y375-F377 HydrophobicContact CD1-CZ 4.36Å; Y375-F377 HydrophobicContact CG-CE2 4.44Å; Y375-F377 WeakPolarHBondContact O-CD2 3.36Å
378	Q	94.3	Very high	89.4	Confident	48 Å²	48	57 Å²	57	22%	0.224	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	130.1	169.9	-168.8	179.7	73.4	0	0	109.4	F313 W323 E362 R364	F313-Q378 HydrophobicContact CB-CB 4.26Å; F313-Q378 PolarHBondContact N-O 3.2Å; F313-Q378 PolarHBondContact O-N 2.89Å; W323-Q378 HydrophobicContact CE3-CB 4.15Å; W323-Q378 HydrophobicContact CH2-CB 3.85Å; W323-Q378 HydrophobicContact CZ2-CB 4.23Å; W323-Q378 HydrophobicContact CZ3-CB 3.81Å; E362-Q378 PolarHBondContact OE2-NE2 2.62Å; R364-Q378 HydrophobicContact CB-CG 4.3Å; R364-Q378 CarbonylContact O-C 3.54Å; R364-Q378 WeakPolarHBondContact O-CA 3.48Å
379	A	94.3	Very high	89.4	Confident	4 Å²	4	57.4 Å²	57.4	3%	0.033	28%	0.276	C	S	.	.			trans	-88.1	172.8	178.2	0	0	0	0	0	111.3	L312 R364 D384 C385	L312-A379 HydrophobicContact CD2-CB 4.2Å; R364-A379 PolarHBondContact O-N 2.86Å; A379-D384 HydrophobicContact CB-CB 4.22Å; A379-D384 WeakPolarHBondContact CB-OD2 3.39Å; A379-C385 HydrophobicContact CB-CB 3.82Å
380	E	90.8	Very high	89.6	Confident	102 Å²	102	54.9 Å²	54.9	48%	0.477	26%	0.263	S	S	.	.	S	Bend	trans	-73.3	-36.5	179.9	-56.1	-161.1	157	0	0	111.7	K325 R364 D384	K325-E380 VanDerWaalsContact CE-OE1 3.31Å; K325-E380 WeakPolarHBondContact CE-OE1 3.33Å; K325-E380 IonicContact NZ-OE1 3.58Å; K325-E380 PolarHBondContact NZ-OE1 2.66Å; R364-E380 PolarHBondContact NH1-O 3.02Å; E380-D384 PolarHBondContact N-OD2 2.68Å
381	D	91.1	Very high	90.1	Very high	71 Å²	71	54.4 Å²	54.4	38%	0.38	26%	0.26	S	S	.	.	S	Bend	trans	-145.7	-177	174.4	63.9	61.4	0	0	0	112.7	Q383 D384 C385	D381-Q383 WeakPolarHBondContact OD1-CA 3.48Å; D381-Q383 WeakPolarHBondContact OD1-CB 3.3Å; D381-Q383 PolarHBondContact OD1-N 2.98Å; D381-D384 PolarHBondContact OD1-N 3.22Å; D381-C385 WeakPolarHBondContact O-CB 3.5Å; D381-C385 PolarHBondContact O-N 3.36Å; D381-C385 VanDerWaalsContact O-N 3.11Å
382	E	90.3	Very high	91.1	Very high	98 Å²	98	46.2 Å²	46.2	46%	0.458	22%	0.222	S	C	.	.	H	α-helix	trans	-71	-29.7	-178.3	-176.6	171.7	168.4	0	0	112.8	K363 C385 Q386	K363-E382 HydrophobicContact CB-CG 4.24Å; K363-E382 WeakPolarHBondContact CD-OE2 3.31Å; K363-E382 WeakPolarHBondContact CE-OE1 3.22Å; K363-E382 VanDerWaalsContact NZ-CD 3.33Å; K363-E382 IonicContact NZ-OE1 3.73Å; K363-E382 PolarHBondContact NZ-OE1 2.86Å; K363-E382 IonicContact NZ-OE2 3.45Å; K363-E382 PolarHBondContact NZ-OE2 3.41Å; E382-C385 WeakPolarHBondContact O-CB 3.29Å; E382-Q386 PolarHBondContact O-N 3.46Å; E382-Q386 VanDerWaalsContact O-N 3.12Å
383	Q	88.8	Confident	91.9	Very high	146 Å²	146	43 Å²	43	68%	0.682	20%	0.204	S	C	*	.	H	α-helix	trans	-77.9	-43.7	178.5	-169.6	175.7	8.6	0	0	110.8	D381 C385 Q386 I387	D381-Q383 WeakPolarHBondContact OD1-CA 3.48Å; D381-Q383 WeakPolarHBondContact OD1-CB 3.3Å; D381-Q383 PolarHBondContact OD1-N 2.98Å; Q383-C385 VanDerWaalsContact C-N 3.29Å; Q383-C385 PolarHBondContact O-N 3.18Å; Q383-Q386 PolarHBondContact O-N 3.47Å; Q383-I387 HydrophobicContact CG-CD1 4.02Å; Q383-I387 WeakPolarHBondContact O-CD1 3.38Å; Q383-I387 VanDerWaalsContact O-CG1 3.23Å; Q383-I387 WeakPolarHBondContact O-CG1 3.38Å; Q383-I387 PolarHBondContact O-N 3.14Å
384	D	91.8	Very high	92.2	Very high	21 Å²	21	38.8 Å²	38.8	11%	0.112	19%	0.189	C	C	.	.	H	α-helix	trans	-58.9	-41.4	171.3	-176.8	49.2	0	0	0	111.1	R308 A379 E380 D381 I387 W388	R308-D384 IonicContact CZ-OD1 3.04Å; R308-D384 IonicContact NE-OD1 2.85Å; R308-D384 IonicContact NH2-OD1 2.71Å; R308-D384 PolarHBondContact NH2-OD1 3.04Å; A379-D384 HydrophobicContact CB-CB 4.22Å; A379-D384 WeakPolarHBondContact CB-OD2 3.39Å; E380-D384 PolarHBondContact N-OD2 2.68Å; D381-D384 PolarHBondContact OD1-N 3.22Å; D384-I387 PolarHBondContact O-N 3.35Å; D384-W388 WeakPolarHBondContact O-CB 3.26Å; D384-W388 PolarHBondContact O-N 3.24Å; D384-W388 PolarHBondContact OD1-NE1 3.3Å; D384-W388 VanDerWaalsContact OD1-NE1 3.17Å
385	C	92.3	Very high	92.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-54.9	-53.9	173.2	-169.7	0	0	0	0	112	K363 R364 A379 D381 E382 Q383 I387 W388 I389	K363-C385 PolarHBondContact O-SG 3.36Å; K363-C385 VanDerWaalsContact O-SG 3.34Å; R364-C385 VanDerWaalsContact C-SG 3.58Å; A379-C385 HydrophobicContact CB-CB 3.82Å; D381-C385 WeakPolarHBondContact O-CB 3.5Å; D381-C385 PolarHBondContact O-N 3.36Å; D381-C385 VanDerWaalsContact O-N 3.11Å; E382-C385 WeakPolarHBondContact O-CB 3.29Å; Q383-C385 VanDerWaalsContact C-N 3.29Å; Q383-C385 PolarHBondContact O-N 3.18Å; C385-I387 VanDerWaalsContact C-N 3.34Å; C385-I387 PolarHBondContact O-N 3.4Å; C385-W388 PolarHBondContact O-N 3.47Å; C385-I389 WeakPolarHBondContact O-CG1 3.44Å; C385-I389 PolarHBondContact O-N 3Å
386	Q	90.9	Very high	91.9	Very high	95 Å²	95	37.1 Å²	37.1	44%	0.444	18%	0.178	S	C	.	.	H	α-helix	trans	-64.5	-35.9	-178.5	-174.7	59.1	24.4	0	0	112.9	E382 Q383 S390	E382-Q386 PolarHBondContact O-N 3.46Å; E382-Q386 VanDerWaalsContact O-N 3.12Å; Q383-Q386 PolarHBondContact O-N 3.47Å; Q386-S390 WeakPolarHBondContact O-CB 3.25Å; Q386-S390 PolarHBondContact O-N 3.16Å; Q386-S390 PolarHBondContact O-OG 3.1Å
387	I	92.1	Very high	91.4	Very high	29 Å²	29	37.5 Å²	37.5	15%	0.149	18%	0.18	C	C	.	.	H	α-helix	trans	-69.2	-43.5	175.5	-62.9	161.8	0	0	0	110.7	H304 R308 Q383 D384 C385 S390 V391	H304-I387 HydrophobicContact CB-CG2 4.12Å; R308-I387 VanDerWaalsContact CZ-CG2 3.49Å; R308-I387 VanDerWaalsContact NH1-CG2 3.31Å; Q383-I387 HydrophobicContact CG-CD1 4.02Å; Q383-I387 WeakPolarHBondContact O-CD1 3.38Å; Q383-I387 VanDerWaalsContact O-CG1 3.23Å; Q383-I387 WeakPolarHBondContact O-CG1 3.38Å; Q383-I387 PolarHBondContact O-N 3.14Å; D384-I387 PolarHBondContact O-N 3.35Å; C385-I387 VanDerWaalsContact C-N 3.34Å; C385-I387 PolarHBondContact O-N 3.4Å; I387-S390 PolarHBondContact O-N 3.01Å; I387-V391 HydrophobicContact CG2-CG2 4.28Å; I387-V391 WeakPolarHBondContact O-CG2 3.2Å; I387-V391 PolarHBondContact O-N 3.04Å
388	W	94.6	Very high	90.8	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-60.4	-45.2	175.6	-88.1	107.8	0	0	0	112.4	R308 L312 C328 A330 F366 D384 C385 S390 V391 L392	R308-W388 HydrophobicContact CB-CE3 4.45Å; R308-W388 HydrophobicContact CB-CH2 4.31Å; R308-W388 HydrophobicContact CB-CZ3 4.14Å; R308-W388 HydrophobicContact CG-CD2 4.27Å; R308-W388 HydrophobicContact CG-CE3 4.26Å; R308-W388 HydrophobicContact CG-CH2 3.93Å; R308-W388 HydrophobicContact CG-CZ2 3.93Å; R308-W388 HydrophobicContact CG-CZ3 4.09Å; L312-W388 HydrophobicContact CD1-CD2 3.96Å; L312-W388 HydrophobicContact CD1-CE3 4.15Å; L312-W388 HydrophobicContact CD1-CG 4.4Å; L312-W388 HydrophobicContact CD1-CZ2 4.38Å; L312-W388 HydrophobicContact CD1-CZ3 4.45Å; L312-W388 HydrophobicContact CD2-CD2 4.28Å; L312-W388 HydrophobicContact CD2-CG 4.1Å; L312-W388 HydrophobicContact CG-CD2 4.3Å; L312-W388 HydrophobicContact CG-CZ2 4.25Å; C328-W388 HydrophobicContact CB-CH2 3.97Å; C328-W388 HydrophobicContact CB-CZ3 4.48Å; A330-W388 HydrophobicContact CB-CZ3 4.47Å; F366-W388 HydrophobicContact CE1-CB 3.95Å; F366-W388 HydrophobicContact CZ-CB 4.12Å; D384-W388 WeakPolarHBondContact O-CB 3.26Å; D384-W388 PolarHBondContact O-N 3.24Å; D384-W388 PolarHBondContact OD1-NE1 3.3Å; D384-W388 VanDerWaalsContact OD1-NE1 3.17Å; C385-W388 PolarHBondContact O-N 3.47Å; W388-S390 PolarHBondContact O-N 2.91Å; W388-V391 PolarHBondContact O-N 3.38Å; W388-L392 WeakPolarHBondContact O-CB 3.44Å; W388-L392 WeakPolarHBondContact O-CD1 3.3Å; W388-L392 WeakPolarHBondContact O-CG 3.26Å; W388-L392 PolarHBondContact O-N 3.23Å
389	I	92.6	Very high	90.1	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.041	19%	0.188	C	C	.	.	H	α-helix	trans	-58.3	-49.3	175.9	-68.6	164.5	0	0	0	110.4	V356 H358 F366 C385 V391 L392 Q393	V356-I389 HydrophobicContact CG1-CB 4.32Å; V356-I389 HydrophobicContact CG1-CG1 4.09Å; V356-I389 HydrophobicContact CG1-CG2 3.99Å; H358-I389 HydrophobicContact CB-CD1 4.08Å; F366-I389 HydrophobicContact CB-CD1 3.96Å; F366-I389 HydrophobicContact CB-CG1 3.97Å; F366-I389 HydrophobicContact CD1-CG1 4.14Å; F366-I389 HydrophobicContact CD2-CG1 4.49Å; F366-I389 HydrophobicContact CG-CD1 4.41Å; F366-I389 HydrophobicContact CG-CG1 3.97Å; C385-I389 WeakPolarHBondContact O-CG1 3.44Å; C385-I389 PolarHBondContact O-N 3Å; I389-V391 PolarHBondContact O-N 3.11Å; I389-L392 PolarHBondContact O-N 2.64Å; I389-Q393 WeakPolarHBondContact O-CG 3.33Å; I389-Q393 PolarHBondContact O-N 2.75Å
390	S	92.6	Very high	89.1	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.007	20%	0.203	C	C	.	.	H	α-helix	trans	-61.6	-45.3	-179.2	-60.8	0	0	0	0	112.3	Q386 I387 W388 L392 Q393 N394	Q386-S390 WeakPolarHBondContact O-CB 3.25Å; Q386-S390 PolarHBondContact O-N 3.16Å; Q386-S390 PolarHBondContact O-OG 3.1Å; I387-S390 PolarHBondContact O-N 3.01Å; W388-S390 PolarHBondContact O-N 2.91Å; S390-L392 PolarHBondContact O-N 2.63Å; S390-Q393 PolarHBondContact O-N 2.68Å; S390-N394 WeakPolarHBondContact O-CB 3.24Å; S390-N394 PolarHBondContact O-N 3.49Å; S390-N394 PolarHBondContact O-ND2 3.38Å; S390-N394 PolarHBondContact O-OD1 3.39Å
391	V	93.7	Very high	88.2	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-65.7	-38.7	178.3	174.6	0	0	0	0	111.5	H304 R308 A330 I387 W388 I389 Q393 N394 S395	H304-V391 HydrophobicContact CB-CG2 3.95Å; H304-V391 WeakPolarHBondContact O-CG2 3.34Å; R308-V391 HydrophobicContact CB-CB 4.24Å; R308-V391 HydrophobicContact CB-CG1 3.77Å; R308-V391 HydrophobicContact CB-CG2 4.23Å; A330-V391 HydrophobicContact CB-CG1 4.3Å; I387-V391 HydrophobicContact CG2-CG2 4.28Å; I387-V391 WeakPolarHBondContact O-CG2 3.2Å; I387-V391 PolarHBondContact O-N 3.04Å; W388-V391 PolarHBondContact O-N 3.38Å; I389-V391 PolarHBondContact O-N 3.11Å; V391-Q393 VanDerWaalsContact C-N 3.33Å; V391-Q393 PolarHBondContact O-N 3.21Å; V391-N394 PolarHBondContact O-N 3.47Å; V391-S395 VanDerWaalsContact O-CB 3.25Å; V391-S395 WeakPolarHBondContact O-CB 3.36Å; V391-S395 PolarHBondContact O-N 2.87Å
392	L	93.3	Very high	87	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-64.2	-38.6	176.1	-70.3	167.6	0	0	0	111.8	A330 L335 L351 V356 F366 W388 I389 S390 K396	A330-L392 HydrophobicContact CB-CD2 3.98Å; L335-L392 HydrophobicContact CB-CD2 4.24Å; L335-L392 HydrophobicContact CD1-CD2 4.25Å; L335-L392 HydrophobicContact CD2-CD2 4.17Å; L335-L392 HydrophobicContact CG-CD2 4.45Å; L351-L392 HydrophobicContact CD1-CD2 3.99Å; L351-L392 HydrophobicContact CD2-CD2 3.85Å; V356-L392 HydrophobicContact CG2-CB 3.77Å; V356-L392 HydrophobicContact CG2-CD1 4.45Å; F366-L392 HydrophobicContact CE2-CD1 3.65Å; F366-L392 HydrophobicContact CZ-CD1 4.02Å; W388-L392 WeakPolarHBondContact O-CB 3.44Å; W388-L392 WeakPolarHBondContact O-CD1 3.3Å; W388-L392 WeakPolarHBondContact O-CG 3.26Å; W388-L392 PolarHBondContact O-N 3.23Å; I389-L392 PolarHBondContact O-N 2.64Å; S390-L392 PolarHBondContact O-N 2.63Å; L392-K396 WeakPolarHBondContact O-CB 3.43Å; L392-K396 PolarHBondContact O-N 3.26Å; L392-K396 VanDerWaalsContact O-N 3.14Å
393	Q	91.6	Very high	85.4	Confident	31 Å²	31	40.1 Å²	40.1	15%	0.145	21%	0.207	C	C	.	.	H	α-helix	trans	-66.8	-46.8	172.9	-71.3	166.7	-32.3	0	0	111.7	P298 G300 I389 S390 V391 S395 K396 E397	P298-Q393 PolarHBondContact O-NE2 2.86Å; G300-Q393 VanDerWaalsContact CA-OE1 3.32Å; I389-Q393 WeakPolarHBondContact O-CG 3.33Å; I389-Q393 PolarHBondContact O-N 2.75Å; S390-Q393 PolarHBondContact O-N 2.68Å; V391-Q393 VanDerWaalsContact C-N 3.33Å; V391-Q393 PolarHBondContact O-N 3.21Å; Q393-S395 PolarHBondContact O-N 3.18Å; Q393-K396 WeakPolarHBondContact O-CB 3.46Å; Q393-K396 PolarHBondContact O-N 3.39Å; Q393-E397 WeakPolarHBondContact O-CB 3.3Å; Q393-E397 PolarHBondContact O-N 2.91Å
394	N	91.1	Very high	83.5	Confident	15 Å²	15	40.9 Å²	40.9	8%	0.08	21%	0.209	C	C	.	.	H	α-helix	trans	-63.4	-40.6	178.7	-66.1	-14.1	0	0	0	112.1	G300 N301 G305 T306 S390 V391 K396 E397 E398	G300-N394 VanDerWaalsContact C-OD1 3.31Å; G300-N394 VanDerWaalsContact CA-OD1 3.3Å; G300-N394 WeakPolarHBondContact CA-OD1 3.39Å; G300-N394 PolarHBondContact O-OD1 3.25Å; N301-N394 PolarHBondContact O-ND2 2.62Å; G305-N394 WeakPolarHBondContact O-CB 3.37Å; G305-N394 PolarHBondContact O-ND2 3.31Å; T306-N394 HydrophobicContact CG2-CB 4.01Å; S390-N394 WeakPolarHBondContact O-CB 3.24Å; S390-N394 PolarHBondContact O-N 3.49Å; S390-N394 PolarHBondContact O-ND2 3.38Å; S390-N394 PolarHBondContact O-OD1 3.39Å; V391-N394 PolarHBondContact O-N 3.47Å; N394-K396 VanDerWaalsContact C-N 3.35Å; N394-E397 PolarHBondContact O-N 3.34Å; N394-E398 WeakPolarHBondContact O-CB 3.5Å; N394-E398 PolarHBondContact O-N 3.35Å
395	S	88.9	Confident	81.5	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-69.4	-32.9	178.1	-150.5	0	0	0	0	111.9	T306 G333 V391 Q393 A399	T306-S395 WeakPolarHBondContact O-CB 3.21Å; T306-S395 PolarHBondContact O-OG 2.95Å; G333-S395 PolarHBondContact N-OG 3.39Å; V391-S395 VanDerWaalsContact O-CB 3.25Å; V391-S395 WeakPolarHBondContact O-CB 3.36Å; V391-S395 PolarHBondContact O-N 2.87Å; Q393-S395 PolarHBondContact O-N 3.18Å; S395-A399 WeakPolarHBondContact O-CB 3.18Å; S395-A399 PolarHBondContact O-N 3.27Å; S395-A399 VanDerWaalsContact O-N 3.1Å
396	K	86.8	Confident	79.1	Confident	42 Å²	42	49.2 Å²	49.2	18%	0.183	26%	0.256	C	S	.	.	H	α-helix	trans	-64.4	-49.1	169	-175.9	-179.7	-175.3	175.7	0	111	L351 L352 C354 L392 Q393 N394 A399 L400	L351-K396 HydrophobicContact CB-CB 4.09Å; L351-K396 WeakPolarHBondContact O-CD 3.48Å; L351-K396 WeakPolarHBondContact O-CE 3.47Å; L351-K396 WeakPolarHBondContact O-CG 3.22Å; L352-K396 HydrophobicContact CD2-CG 4.23Å; L352-K396 VanDerWaalsContact O-CE 3.3Å; L352-K396 WeakPolarHBondContact O-CE 3.25Å; L352-K396 PolarHBondContact O-NZ 2.85Å; C354-K396 PolarHBondContact O-NZ 2.92Å; L392-K396 WeakPolarHBondContact O-CB 3.43Å; L392-K396 PolarHBondContact O-N 3.26Å; L392-K396 VanDerWaalsContact O-N 3.14Å; Q393-K396 WeakPolarHBondContact O-CB 3.46Å; Q393-K396 PolarHBondContact O-N 3.39Å; N394-K396 VanDerWaalsContact C-N 3.35Å; K396-A399 PolarHBondContact O-N 2.93Å; K396-L400 WeakPolarHBondContact O-CB 3.37Å; K396-L400 PolarHBondContact O-N 3.03Å
397	E	83.4	Confident	76.3	Confident	72 Å²	72	51.2 Å²	51.2	34%	0.336	27%	0.27	S	S	.	.	H	α-helix	trans	-61.8	-41.7	179	-177	63.5	-156.4	0	0	111.7	Q393 N394 L400 N401	Q393-E397 WeakPolarHBondContact O-CB 3.3Å; Q393-E397 PolarHBondContact O-N 2.91Å; N394-E397 PolarHBondContact O-N 3.34Å; E397-L400 WeakPolarHBondContact O-CB 3.45Å; E397-L400 PolarHBondContact O-N 2.98Å; E397-N401 WeakPolarHBondContact O-CB 3.45Å; E397-N401 PolarHBondContact O-N 3.33Å; E397-N401 PolarHBondContact O-ND2 3.15Å; E397-N401 PolarHBondContact OE1-ND2 3.47Å
398	E	82.5	Confident	73.8	Confident	64 Å²	64	57.5 Å²	57.5	30%	0.299	30%	0.298	S	S	.	.	H	α-helix	trans	-62.8	-46.9	174.8	175	167	-132.8	0	0	111.7	T306 N394 L400 N401 Q402	T306-E398 WeakPolarHBondContact CB-OE2 3.34Å; T306-E398 HydrophobicContact CG2-CB 3.85Å; T306-E398 HydrophobicContact CG2-CG 4.48Å; T306-E398 WeakPolarHBondContact CG2-OE2 3.38Å; T306-E398 PolarHBondContact OG1-OE2 2.89Å; N394-E398 WeakPolarHBondContact O-CB 3.5Å; N394-E398 PolarHBondContact O-N 3.35Å; E398-L400 VanDerWaalsContact C-N 3.27Å; E398-L400 PolarHBondContact O-N 3.17Å; E398-N401 CarbonylContact O-C 3.55Å; E398-N401 PolarHBondContact O-N 3.48Å; E398-Q402 HydrophobicContact CG-CG 4.34Å; E398-Q402 WeakPolarHBondContact O-CB 3.12Å; E398-Q402 WeakPolarHBondContact O-CG 3.49Å; E398-Q402 PolarHBondContact O-N 3.5Å; E398-Q402 PolarHBondContact OE1-NE2 3.31Å
399	A	78.6	Confident	70.9	Confident	13 Å²	13	63.8 Å²	63.8	11%	0.107	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-33.9	177.3	0	0	0	0	0	112.6	L352 S395 K396 Q402 A403	L352-A399 HydrophobicContact CD1-CB 4.42Å; L352-A399 HydrophobicContact CD2-CB 4Å; L352-A399 HydrophobicContact CG-CB 4.2Å; S395-A399 WeakPolarHBondContact O-CB 3.18Å; S395-A399 PolarHBondContact O-N 3.27Å; S395-A399 VanDerWaalsContact O-N 3.1Å; K396-A399 PolarHBondContact O-N 2.93Å; A399-Q402 PolarHBondContact O-N 2.89Å; A399-A403 WeakPolarHBondContact O-CB 3.42Å; A399-A403 PolarHBondContact O-N 2.91Å
400	L	72.4	Confident	68.3	Low	65 Å²	65	70.4 Å²	70.4	34%	0.34	37%	0.368	S	S	.	.	H	α-helix	trans	-64.6	-48.6	173.9	-170.1	91.4	0	0	0	110.3	L352 K396 E397 E398 Q402 A403 F404	L352-L400 HydrophobicContact CD2-CB 3.97Å; L352-L400 HydrophobicContact CD2-CD1 4.17Å; K396-L400 WeakPolarHBondContact O-CB 3.37Å; K396-L400 PolarHBondContact O-N 3.03Å; E397-L400 WeakPolarHBondContact O-CB 3.45Å; E397-L400 PolarHBondContact O-N 2.98Å; E398-L400 VanDerWaalsContact C-N 3.27Å; E398-L400 PolarHBondContact O-N 3.17Å; L400-Q402 VanDerWaalsContact C-N 3.33Å; L400-Q402 PolarHBondContact O-N 3.5Å; L400-A403 PolarHBondContact O-N 2.86Å; L400-F404 HydrophobicContact CD1-CE2 4.02Å; L400-F404 HydrophobicContact CD2-CD2 4.41Å; L400-F404 HydrophobicContact CD2-CE2 4.02Å; L400-F404 HydrophobicContact CG-CD2 3.94Å; L400-F404 HydrophobicContact CG-CE2 3.67Å; L400-F404 WeakPolarHBondContact O-CD2 3.46Å; L400-F404 PolarHBondContact O-N 3.23Å
401	N	72.2	Confident	65.7	Low	63 Å²	63	72.8 Å²	72.8	34%	0.337	39%	0.393	S	S	.	.	H	α-helix	trans	-67.8	-29.2	177.3	-80.5	-90.7	0	0	0	113.1	E397 E398 K405	E397-N401 WeakPolarHBondContact O-CB 3.45Å; E397-N401 PolarHBondContact O-N 3.33Å; E397-N401 PolarHBondContact O-ND2 3.15Å; E397-N401 PolarHBondContact OE1-ND2 3.47Å; E398-N401 CarbonylContact O-C 3.55Å; E398-N401 PolarHBondContact O-N 3.48Å; N401-K405 WeakPolarHBondContact O-CB 3.38Å; N401-K405 WeakPolarHBondContact O-CD 3.5Å; N401-K405 WeakPolarHBondContact O-CG 3.41Å; N401-K405 PolarHBondContact O-N 3.04Å; N401-K405 VanDerWaalsContact O-N 3.14Å
402	Q	66.8	Low	63.2	Low	101 Å²	101	80.9 Å²	80.9	47%	0.472	43%	0.43	S	S	.	.	H	α-helix	trans	-72.3	-42.6	172.4	-73.8	179	12.5	0	0	110.9	E398 A399 L400 F404 K405 G406	E398-Q402 HydrophobicContact CG-CG 4.34Å; E398-Q402 WeakPolarHBondContact O-CB 3.12Å; E398-Q402 WeakPolarHBondContact O-CG 3.49Å; E398-Q402 PolarHBondContact O-N 3.5Å; E398-Q402 PolarHBondContact OE1-NE2 3.31Å; A399-Q402 PolarHBondContact O-N 2.89Å; L400-Q402 VanDerWaalsContact C-N 3.33Å; L400-Q402 PolarHBondContact O-N 3.5Å; Q402-F404 VanDerWaalsContact C-N 3.34Å; Q402-F404 PolarHBondContact O-N 3.39Å; Q402-K405 PolarHBondContact O-N 3.25Å; Q402-G406 PolarHBondContact O-N 3.44Å
403	A	56.9	Low	61.2	Low	73 Å²	73	84.5 Å²	84.5	60%	0.603	45%	0.45	S	S	*	.	H	α-helix	trans	-59.9	-41.4	173.8	0	0	0	0	0	112.3	A399 L400	A399-A403 WeakPolarHBondContact O-CB 3.42Å; A399-A403 PolarHBondContact O-N 2.91Å; L400-A403 PolarHBondContact O-N 2.86Å
404	F	48.2	Very low	59.7	Low	161 Å²	161	88 Å²	88	71%	0.706	47%	0.47	S	S	*	.	H	α-helix	trans	-74.8	-17.1	176	-74.5	-54.5	0	0	0	115.1	L400 Q402	L400-F404 HydrophobicContact CD1-CE2 4.02Å; L400-F404 HydrophobicContact CD2-CD2 4.41Å; L400-F404 HydrophobicContact CD2-CE2 4.02Å; L400-F404 HydrophobicContact CG-CD2 3.94Å; L400-F404 HydrophobicContact CG-CE2 3.67Å; L400-F404 WeakPolarHBondContact O-CD2 3.46Å; L400-F404 PolarHBondContact O-N 3.23Å; Q402-F404 VanDerWaalsContact C-N 3.34Å; Q402-F404 PolarHBondContact O-N 3.39Å
405	K	50.6	Low	58.7	Low	154 Å²	154	93.6 Å²	93.6	67%	0.67	50%	0.498	S	S	*	.	H	α-helix	trans	-83	-17.3	176.4	-81.1	170	-175.2	178.8	0	113.6	N401 Q402	N401-K405 WeakPolarHBondContact O-CB 3.38Å; N401-K405 WeakPolarHBondContact O-CD 3.5Å; N401-K405 WeakPolarHBondContact O-CG 3.41Å; N401-K405 PolarHBondContact O-N 3.04Å; N401-K405 VanDerWaalsContact O-N 3.14Å; Q402-K405 PolarHBondContact O-N 3.25Å
406	G	40.3	Very low	58	Low	42 Å²	42	95.7 Å²	95.7	43%	0.433	51%	0.511	S	S	.	.			trans	74.7	143.4	-179.6	0	0	0	0	0	112.9	Q402 H408	Q402-G406 PolarHBondContact O-N 3.44Å; G406-H408 PolarHBondContact O-N 3.01Å
407	D	33.7	Very low	57.4	Low	138 Å²	138	98.8 Å²	98.8	74%	0.738	53%	0.526	S	S	*	.			trans	-77.4	111.5	170.5	-145.7	-26.7	0	0	0	108.1	H409	D407-H409 PolarHBondContact O-N 2.99Å
408	H	38.1	Very low	57.1	Low	160 Å²	160	99.7 Å²	99.7	74%	0.741	53%	0.53	S	S	*	.			trans	-73.5	72.4	-176.6	-81.9	-76.3	0	0	0	110.9	G406 V410	G406-H408 PolarHBondContact O-N 3.01Å; H408-V410 WeakPolarHBondContact O-CG2 3.44Å; H408-V410 PolarHBondContact O-N 3.06Å
409	H	34.7	Very low	57.1	Low	134 Å²	134	99.4 Å²	99.4	62%	0.62	53%	0.531	S	S	*	.			trans	-66.9	97.7	168.1	-77	-55.9	0	0	0	109.9	D407 N413	D407-H409 PolarHBondContact O-N 2.99Å; H409-N413 PolarHBondContact O-ND2 3.15Å
410	V	38.7	Very low	57.5	Low	147 Å²	147	99.6 Å²	99.6	89%	0.891	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	128.1	-175.8	-177.8	0	0	0	0	111.2	H408	H408-V410 WeakPolarHBondContact O-CG2 3.44Å; H408-V410 PolarHBondContact O-N 3.06Å
411	G	37.5	Very low	58.2	Low	52 Å²	52	102.2 Å²	102.2	54%	0.536	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	138.3	-108.1	177.2	0	0	0	0	0	111.7
412	E	40.3	Very low	58.9	Low	170 Å²	170	101.3 Å²	101.3	79%	0.794	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-31.4	-164.3	-61.1	171.9	150	0	0	113.7	N414 I415	E412-N414 PolarHBondContact O-N 2.86Å; E412-N414 VanDerWaalsContact O-N 3.13Å; E412-I415 PolarHBondContact O-N 3.38Å
413	N	51.2	Low	60	Low	78 Å²	78	96.5 Å²	96.5	42%	0.417	52%	0.518	S	S	.	.	H	α-helix	trans	-56.8	-32.5	-175.4	-69.7	-55.5	0	0	0	114	H409 I415 V416 Q417	H409-N413 PolarHBondContact O-ND2 3.15Å; N413-I415 PolarHBondContact O-N 2.76Å; N413-V416 PolarHBondContact O-N 3.23Å; N413-Q417 WeakPolarHBondContact O-CB 3.38Å; N413-Q417 VanDerWaalsContact O-CG 3.24Å; N413-Q417 WeakPolarHBondContact O-CG 3.44Å; N413-Q417 PolarHBondContact O-N 3.07Å
414	N	61	Low	61.8	Low	104 Å²	104	94.4 Å²	94.4	56%	0.556	50%	0.496	S	S	*	.	H	α-helix	trans	-66.6	-37.2	-172.9	-164.1	66.9	0	0	0	112.7	E412 E418	E412-N414 PolarHBondContact O-N 2.86Å; E412-N414 VanDerWaalsContact O-N 3.13Å; N414-E418 PolarHBondContact O-N 3.02Å
415	I	70.3	Confident	63.7	Low	132 Å²	132	88.1 Å²	88.1	68%	0.677	48%	0.477	S	S	*	.	H	α-helix	trans	-67.8	-42.7	177.9	-59.7	175.2	0	0	0	109.9	E412 N413 L419	E412-I415 PolarHBondContact O-N 3.38Å; N413-I415 PolarHBondContact O-N 2.76Å; I415-L419 VanDerWaalsContact O-CB 3.27Å; I415-L419 WeakPolarHBondContact O-CB 3.48Å; I415-L419 PolarHBondContact O-N 3.43Å
416	V	73	Confident	65.8	Low	45 Å²	45	81.5 Å²	81.5	27%	0.273	45%	0.448	S	S	.	.	H	α-helix	trans	-69	-38.3	-179.9	-176.9	0	0	0	0	111.2	N413 L419 T420 H686	N413-V416 PolarHBondContact O-N 3.23Å; V416-L419 PolarHBondContact O-N 2.74Å; V416-T420 WeakPolarHBondContact O-CB 3.48Å; V416-T420 PolarHBondContact O-N 2.84Å; V416-T420 PolarHBondContact O-OG1 3.12Å; V416-T420 VanDerWaalsContact O-OG1 3.05Å; V416-H686 WeakPolarHBondContact CG1-CE1 3.35Å; V416-H686 WeakPolarHBondContact CG1-ND1 3.39Å
417	Q	74.7	Confident	68.4	Low	107 Å²	107	79.5 Å²	79.5	50%	0.5	43%	0.428	S	S	.	.	H	α-helix	trans	-66.6	-46.2	176.6	-74.5	171	-0.6	0	0	112.3	N413 T420 K421	N413-Q417 WeakPolarHBondContact O-CB 3.38Å; N413-Q417 VanDerWaalsContact O-CG 3.24Å; N413-Q417 WeakPolarHBondContact O-CG 3.44Å; N413-Q417 PolarHBondContact O-N 3.07Å; Q417-T420 PolarHBondContact O-N 3.15Å; Q417-K421 WeakPolarHBondContact O-CB 3.36Å; Q417-K421 PolarHBondContact O-N 3.35Å
418	E	78.1	Confident	71.3	Confident	91 Å²	91	77.5 Å²	77.5	43%	0.425	41%	0.413	S	S	.	.	H	α-helix	trans	-66.9	-35.3	175.3	-71.3	-62.8	128.4	0	0	112.1	N414 K421 A422	N414-E418 PolarHBondContact O-N 3.02Å; E418-K421 PolarHBondContact O-N 2.77Å; E418-K421 VanDerWaalsContact OE1-CD 3.32Å; E418-K421 WeakPolarHBondContact OE1-CD 3.34Å; E418-K421 IonicContact OE1-NZ 3.17Å; E418-K421 PolarHBondContact OE1-NZ 3.37Å; E418-K421 WeakPolarHBondContact OE2-CD 3.42Å; E418-K421 IonicContact OE2-NZ 2.68Å; E418-K421 PolarHBondContact OE2-NZ 2.84Å; E418-A422 WeakPolarHBondContact O-CB 3.48Å; E418-A422 PolarHBondContact O-N 2.86Å
419	L	81.6	Confident	73.9	Confident	58 Å²	58	75.7 Å²	75.7	30%	0.304	40%	0.399	S	S	.	.	H	α-helix	trans	-61.8	-50.8	171.1	175.6	60.2	0	0	0	111.7	I415 V416 K421 A422 I423 T483 L693	I415-L419 VanDerWaalsContact O-CB 3.27Å; I415-L419 WeakPolarHBondContact O-CB 3.48Å; I415-L419 PolarHBondContact O-N 3.43Å; V416-L419 PolarHBondContact O-N 2.74Å; L419-K421 VanDerWaalsContact C-N 3.29Å; L419-K421 PolarHBondContact O-N 3.25Å; L419-A422 PolarHBondContact O-N 2.82Å; L419-I423 HydrophobicContact CD1-CD1 3.9Å; L419-I423 HydrophobicContact CD1-CG1 4.17Å; L419-I423 HydrophobicContact CG-CD1 3.84Å; L419-I423 WeakPolarHBondContact O-CD1 3.49Å; L419-I423 VanDerWaalsContact O-CG1 3.25Å; L419-I423 WeakPolarHBondContact O-CG1 3.4Å; L419-I423 PolarHBondContact O-N 3.13Å; L419-T483 HydrophobicContact CD2-CG2 4.21Å; L419-T483 HydrophobicContact CG-CG2 4.34Å; L419-L693 HydrophobicContact CD1-CD1 4.03Å
420	T	87.8	Confident	76.7	Confident	16 Å²	16	71 Å²	71	10%	0.098	38%	0.378	C	S	.	.	H	α-helix	trans	-56.4	-43.8	176	-68.7	0	0	0	0	111.2	V416 Q417 I423 L424 L481 L486	V416-T420 WeakPolarHBondContact O-CB 3.48Å; V416-T420 PolarHBondContact O-N 2.84Å; V416-T420 PolarHBondContact O-OG1 3.12Å; V416-T420 VanDerWaalsContact O-OG1 3.05Å; Q417-T420 PolarHBondContact O-N 3.15Å; T420-I423 PolarHBondContact O-N 3.37Å; T420-L424 HydrophobicContact CG2-CD1 4.08Å; T420-L424 WeakPolarHBondContact O-CB 3.47Å; T420-L424 VanDerWaalsContact O-CG 3.26Å; T420-L424 WeakPolarHBondContact O-CG 3.23Å; T420-L424 PolarHBondContact O-N 3.04Å; T420-L481 VanDerWaalsContact CG2-O 3.26Å; T420-L481 WeakPolarHBondContact CG2-O 3.48Å; T420-L486 HydrophobicContact CG2-CD1 3.88Å
421	K	86.6	Confident	79.3	Confident	120 Å²	120	69.6 Å²	69.6	52%	0.522	37%	0.37	S	S	.	.	H	α-helix	trans	-64.1	-40	177.1	177.1	-172.5	169.6	-156.6	0	112.8	Q417 E418 L419 L424 G425	Q417-K421 WeakPolarHBondContact O-CB 3.36Å; Q417-K421 PolarHBondContact O-N 3.35Å; E418-K421 PolarHBondContact O-N 2.77Å; E418-K421 VanDerWaalsContact OE1-CD 3.32Å; E418-K421 WeakPolarHBondContact OE1-CD 3.34Å; E418-K421 IonicContact OE1-NZ 3.17Å; E418-K421 PolarHBondContact OE1-NZ 3.37Å; E418-K421 WeakPolarHBondContact OE2-CD 3.42Å; E418-K421 IonicContact OE2-NZ 2.68Å; E418-K421 PolarHBondContact OE2-NZ 2.84Å; L419-K421 VanDerWaalsContact C-N 3.29Å; L419-K421 PolarHBondContact O-N 3.25Å; K421-L424 WeakPolarHBondContact O-CB 3.22Å; K421-L424 PolarHBondContact O-N 2.84Å; K421-G425 PolarHBondContact O-N 2.87Å
422	A	86.9	Confident	82	Confident	45 Å²	45	67.9 Å²	67.9	37%	0.372	35%	0.352	S	S	.	.	H	α-helix	trans	-69	-40.3	175.2	0	0	0	0	0	112.1	E418 L419 L424 G425 E426 L693	E418-A422 WeakPolarHBondContact O-CB 3.48Å; E418-A422 PolarHBondContact O-N 2.86Å; L419-A422 PolarHBondContact O-N 2.82Å; A422-L424 VanDerWaalsContact C-N 3.35Å; A422-G425 PolarHBondContact O-N 2.7Å; A422-E426 WeakPolarHBondContact O-CB 3.43Å; A422-E426 PolarHBondContact O-N 2.91Å; A422-L693 HydrophobicContact CB-CD1 3.76Å
423	I	90.6	Very high	84.7	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-61.5	-43.5	171.1	-60.8	158.4	0	0	0	110.2	L419 T420 G425 E426 V427 T483 L486 K490 W691 L693	L419-I423 HydrophobicContact CD1-CD1 3.9Å; L419-I423 HydrophobicContact CD1-CG1 4.17Å; L419-I423 HydrophobicContact CG-CD1 3.84Å; L419-I423 WeakPolarHBondContact O-CD1 3.49Å; L419-I423 VanDerWaalsContact O-CG1 3.25Å; L419-I423 WeakPolarHBondContact O-CG1 3.4Å; L419-I423 PolarHBondContact O-N 3.13Å; T420-I423 PolarHBondContact O-N 3.37Å; I423-G425 PolarHBondContact O-N 2.96Å; I423-E426 PolarHBondContact O-N 2.96Å; I423-V427 HydrophobicContact CG2-CG2 4.09Å; I423-V427 WeakPolarHBondContact O-CB 3.18Å; I423-V427 VanDerWaalsContact O-CG2 3.26Å; I423-V427 WeakPolarHBondContact O-CG2 3.35Å; I423-V427 PolarHBondContact O-N 3.31Å; I423-T483 HydrophobicContact CD1-CG2 3.86Å; I423-L486 HydrophobicContact CB-CD1 4Å; I423-L486 HydrophobicContact CG2-CB 3.73Å; I423-L486 HydrophobicContact CG2-CD1 3.77Å; I423-L486 HydrophobicContact CG2-CG 4.36Å; I423-K490 HydrophobicContact CG2-CB 4.42Å; I423-W691 HydrophobicContact CB-CE3 4.44Å; I423-W691 HydrophobicContact CD1-CD2 3.44Å; I423-W691 VanDerWaalsContact CD1-CD2 3.44Å; I423-W691 HydrophobicContact CD1-CE3 3.64Å; I423-W691 HydrophobicContact CD1-CG 4.03Å; I423-W691 HydrophobicContact CD1-CH2 4.14Å; I423-W691 HydrophobicContact CD1-CZ2 3.94Å; I423-W691 HydrophobicContact CD1-CZ3 3.98Å; I423-W691 HydrophobicContact CG1-CD2 3.76Å; I423-W691 HydrophobicContact CG1-CE3 3.66Å; I423-W691 HydrophobicContact CG1-CG 4.16Å; I423-W691 HydrophobicContact CG1-CZ3 4.26Å; I423-W691 HydrophobicContact CG2-CE3 3.83Å; I423-W691 HydrophobicContact CG2-CZ3 3.77Å; I423-L693 HydrophobicContact CB-CD2 4.47Å; I423-L693 HydrophobicContact CG1-CD1 4.2Å; I423-L693 HydrophobicContact CG1-CD2 3.99Å
424	L	93.4	Very high	86.9	Confident	28 Å²	28	60.8 Å²	60.8	15%	0.147	32%	0.319	C	S	.	.	H	α-helix	trans	-61.3	-39.9	176.6	-78.8	169.5	0	0	0	113.2	T420 K421 A422 K428 L476 L481 L486	T420-L424 HydrophobicContact CG2-CD1 4.08Å; T420-L424 WeakPolarHBondContact O-CB 3.47Å; T420-L424 VanDerWaalsContact O-CG 3.26Å; T420-L424 WeakPolarHBondContact O-CG 3.23Å; T420-L424 PolarHBondContact O-N 3.04Å; K421-L424 WeakPolarHBondContact O-CB 3.22Å; K421-L424 PolarHBondContact O-N 2.84Å; A422-L424 VanDerWaalsContact C-N 3.35Å; L424-K428 VanDerWaalsContact O-CG 3.3Å; L424-K428 WeakPolarHBondContact O-CG 3.32Å; L424-K428 PolarHBondContact O-N 3.42Å; L424-K428 VanDerWaalsContact O-N 3.14Å; L424-L476 HydrophobicContact CD2-CB 4.17Å; L424-L476 HydrophobicContact CD2-CD1 4.42Å; L424-L476 HydrophobicContact CD2-CD2 3.7Å; L424-L476 HydrophobicContact CD2-CG 4.31Å; L424-L481 HydrophobicContact CD2-CD1 4.28Å; L424-L486 HydrophobicContact CD2-CD1 4.17Å; L424-L486 HydrophobicContact CD2-CD2 3.72Å; L424-L486 HydrophobicContact CG-CD1 3.91Å; L424-L486 HydrophobicContact CG-CD2 4.38Å
425	G	89.6	Confident	88.7	Confident	29 Å²	29	58.4 Å²	58.4	30%	0.299	31%	0.309	S	S	.	.	H	α-helix	trans	-62.2	-47.3	173.5	0	0	0	0	0	111.5	K421 A422 I423 K428 R429	K421-G425 PolarHBondContact O-N 2.87Å; A422-G425 PolarHBondContact O-N 2.7Å; I423-G425 PolarHBondContact O-N 2.96Å; G425-K428 PolarHBondContact O-N 2.94Å; G425-R429 WeakPolarHBondContact O-CG 3.38Å; G425-R429 PolarHBondContact O-N 2.8Å
426	E	92.9	Very high	90	Very high	16 Å²	16	52.2 Å²	52.2	8%	0.075	28%	0.277	C	S	.	.	H	α-helix	trans	-65.5	-42.2	178.7	179.4	63.9	-179.3	0	0	113.1	A422 I423 K428 R429 M430 K490 L693	A422-E426 WeakPolarHBondContact O-CB 3.43Å; A422-E426 PolarHBondContact O-N 2.91Å; I423-E426 PolarHBondContact O-N 2.96Å; E426-K428 VanDerWaalsContact C-N 3.29Å; E426-K428 PolarHBondContact O-N 3.47Å; E426-R429 PolarHBondContact O-N 3.24Å; E426-R429 IonicContact OE2-CZ 2.72Å; E426-R429 IonicContact OE2-NE 3.69Å; E426-R429 PolarHBondContact OE2-NE 2.76Å; E426-R429 IonicContact OE2-NH2 2.59Å; E426-R429 PolarHBondContact OE2-NH2 2.8Å; E426-M430 PolarHBondContact O-N 3.34Å; E426-K490 HydrophobicContact CG-CD 3.62Å; E426-K490 IonicContact OE1-NZ 3.89Å; E426-K490 PolarHBondContact OE1-NZ 3.02Å; E426-L693 HydrophobicContact CB-CD2 3.93Å; E426-L693 HydrophobicContact CG-CD2 4.06Å
427	V	95.3	Very high	91.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.4	-41.1	174	165.6	0	0	0	0	111	I423 R429 M430 N433 L454 A489 K490	I423-V427 HydrophobicContact CG2-CG2 4.09Å; I423-V427 WeakPolarHBondContact O-CB 3.18Å; I423-V427 VanDerWaalsContact O-CG2 3.26Å; I423-V427 WeakPolarHBondContact O-CG2 3.35Å; I423-V427 PolarHBondContact O-N 3.31Å; V427-R429 VanDerWaalsContact C-N 3.27Å; V427-R429 PolarHBondContact O-N 2.91Å; V427-M430 PolarHBondContact O-N 2.9Å; V427-N433 WeakPolarHBondContact O-CB 3.39Å; V427-N433 PolarHBondContact O-ND2 3.14Å; V427-L454 HydrophobicContact CG1-CD1 4.28Å; V427-L454 HydrophobicContact CG1-CD2 4.43Å; V427-A489 HydrophobicContact CG1-CB 3.9Å; V427-A489 HydrophobicContact CG2-CB 3.97Å; V427-K490 HydrophobicContact CG2-CB 3.99Å
428	K	94.2	Very high	92.3	Very high	96 Å²	96	45 Å²	45	42%	0.417	24%	0.24	S	C	.	.	H	α-helix	trans	-67.9	-23.5	176.2	-72.4	170.5	-177	176.4	0	113.5	L424 G425 E426 L476	L424-K428 VanDerWaalsContact O-CG 3.3Å; L424-K428 WeakPolarHBondContact O-CG 3.32Å; L424-K428 PolarHBondContact O-N 3.42Å; L424-K428 VanDerWaalsContact O-N 3.14Å; G425-K428 PolarHBondContact O-N 2.94Å; E426-K428 VanDerWaalsContact C-N 3.29Å; E426-K428 PolarHBondContact O-N 3.47Å; K428-L476 HydrophobicContact CG-CD1 4.37Å
429	R	92.6	Very high	93.2	Very high	122 Å²	122	40.8 Å²	40.8	46%	0.46	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-5.7	176.2	-67.6	-174.4	-58.3	-134.1	-3.7	114.2	G425 E426 V427 E696	G425-R429 WeakPolarHBondContact O-CG 3.38Å; G425-R429 PolarHBondContact O-N 2.8Å; E426-R429 PolarHBondContact O-N 3.24Å; E426-R429 IonicContact OE2-CZ 2.72Å; E426-R429 IonicContact OE2-NE 3.69Å; E426-R429 PolarHBondContact OE2-NE 2.76Å; E426-R429 IonicContact OE2-NH2 2.59Å; E426-R429 PolarHBondContact OE2-NH2 2.8Å; V427-R429 VanDerWaalsContact C-N 3.27Å; V427-R429 PolarHBondContact O-N 2.91Å; R429-E696 IonicContact CZ-OE1 3.22Å; R429-E696 VanDerWaalsContact NH1-CD 3.3Å; R429-E696 IonicContact NH1-OE1 3.06Å; R429-E696 PolarHBondContact NH1-OE1 3.38Å; R429-E696 IonicContact NH1-OE2 2.94Å
430	M	93.6	Very high	94	Very high	36 Å²	36	39.5 Å²	39.5	18%	0.177	22%	0.222	C	C	.	.	S	Bend	trans	-68.9	150.4	178.8	-71.8	177.6	66.8	0	0	112.3	E426 V427 G432 N433 K490	E426-M430 PolarHBondContact O-N 3.34Å; V427-M430 PolarHBondContact O-N 2.9Å; M430-G432 PolarHBondContact O-N 3.1Å; M430-N433 HydrophobicContact CB-CB 4.48Å; M430-N433 WeakPolarHBondContact O-CB 3.2Å; M430-N433 PolarHBondContact O-N 2.93Å; M430-K490 WeakPolarHBondContact CE-O 3.48Å; M430-K490 VanDerWaalsContact SD-C 3.57Å; M430-K490 VanDerWaalsContact SD-CA 3.57Å; M430-K490 HydrophobicContact SD-CD 4.33Å; M430-K490 VanDerWaalsContact SD-O 3.36Å
431	T	93.3	Very high	94.4	Very high	116 Å²	116	39.2 Å²	39.2	71%	0.712	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	122.5	-174.4	-45.3	0	0	0	0	111.9	N433 A495	T431-N433 VanDerWaalsContact C-N 3.3Å; T431-N433 PolarHBondContact O-N 3.32Å; T431-A495 HydrophobicContact CG2-CB 3.73Å; T431-A495 WeakPolarHBondContact O-CB 3.19Å; T431-A495 PolarHBondContact O-N 2.83Å; T431-A495 VanDerWaalsContact O-N 3.08Å
432	G	95.3	Very high	94.9	Very high	16 Å²	16	37.9 Å²	37.9	17%	0.165	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-5.1	-179.1	0	0	0	0	0	115.2	M430 D434 V435 N494	M430-G432 PolarHBondContact O-N 3.1Å; G432-D434 WeakPolarHBondContact CA-OD1 3.25Å; G432-D434 PolarHBondContact N-OD1 3.32Å; G432-D434 PolarHBondContact O-N 3.3Å; G432-V435 PolarHBondContact O-N 3.3Å; G432-N494 VanDerWaalsContact O-CB 3.26Å; G432-N494 WeakPolarHBondContact O-CB 3.4Å; G432-N494 PolarHBondContact O-ND2 3.49Å
433	N	97.4	Very high	95.2	Very high	5 Å²	5	42 Å²	42	3%	0.027	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-4.9	176.4	-77.4	4.5	0	0	0	112.9	V427 M430 T431 V435 P444 L454 N494	V427-N433 WeakPolarHBondContact O-CB 3.39Å; V427-N433 PolarHBondContact O-ND2 3.14Å; M430-N433 HydrophobicContact CB-CB 4.48Å; M430-N433 WeakPolarHBondContact O-CB 3.2Å; M430-N433 PolarHBondContact O-N 2.93Å; T431-N433 VanDerWaalsContact C-N 3.3Å; T431-N433 PolarHBondContact O-N 3.32Å; N433-V435 VanDerWaalsContact C-N 3.25Å; N433-P444 WeakPolarHBondContact O-CD 3.25Å; N433-P444 WeakPolarHBondContact O-CG 3.42Å; N433-L454 HydrophobicContact CB-CD1 3.88Å; N433-L454 HydrophobicContact CB-CG 4.45Å; N433-N494 WeakPolarHBondContact OD1-CB 3.25Å; N433-N494 PolarHBondContact OD1-N 3Å; N433-N494 PolarHBondContact OD1-OD1 2.83Å
434	D	96.6	Very high	95.5	Very high	94 Å²	94	42.3 Å²	42.3	50%	0.503	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-21.7	166.2	59.1	-60.7	0	0	0	113	G432 P442 N443	G432-D434 WeakPolarHBondContact CA-OD1 3.25Å; G432-D434 PolarHBondContact N-OD1 3.32Å; G432-D434 PolarHBondContact O-N 3.3Å; D434-P442 CarbonylContact O-C 3.43Å; D434-P442 WeakPolarHBondContact O-CA 3.37Å; D434-N443 PolarHBondContact O-N 3.48Å
435	V	97.9	Very high	95.6	Very high	54 Å²	54	43.1 Å²	43.1	33%	0.327	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-131.5	147.1	-179.6	-69.7	0	0	0	0	112.3	G432 N433 C437 G440 A441 N494	G432-V435 PolarHBondContact O-N 3.3Å; N433-V435 VanDerWaalsContact C-N 3.25Å; V435-C437 PolarHBondContact O-N 2.84Å; V435-G440 WeakPolarHBondContact CG1-O 3.23Å; V435-A441 CarbonylContact C-O 3.59Å; V435-N494 PolarHBondContact O-ND2 3.3Å
436	C	98.4	Very high	96	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.014	24%	0.24	C	C	.	.			trans	-55.6	131.9	177.8	174.4	0	0	0	0	111.3	D438 G440 A441 P444 C456	C436-D438 PolarHBondContact O-N 2.95Å; C436-G440 WeakPolarHBondContact O-CA 3.24Å; C436-G440 PolarHBondContact O-N 3Å; C436-A441 HydrophobicContact CB-CB 4.12Å; C436-A441 WeakPolarHBondContact CB-O 3.38Å; C436-A441 PolarHBondContact N-O 3.48Å; C436-P444 HydrophobicContact CB-CB 4.4Å; C436-C456 HydrophobicContact CB-CB 4.04Å; C436-C456 PolarHBondContact SG-N 3.34Å
437	C	98.2	Very high	96.3	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.007	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-29.6	-175.8	-159.4	0	0	0	0	113.7	V435 V453 L454 N494 N498 K512 K529	V435-C437 PolarHBondContact O-N 2.84Å; C437-V453 HydrophobicContact CB-CB 4.18Å; C437-L454 WeakPolarHBondContact CB-O 3.16Å; C437-L454 PolarHBondContact N-O 3.49Å; C437-N494 HydrophobicContact CB-CB 4.42Å; C437-N494 PolarHBondContact N-ND2 3.45Å; C437-N498 PolarHBondContact O-ND2 3.18Å; C437-N498 PolarHBondContact O-OD1 2.86Å; C437-N498 PolarHBondContact SG-OD1 2.91Å; C437-K512 WeakPolarHBondContact O-CE 3.27Å; C437-K512 PolarHBondContact O-NZ 3.3Å; C437-K529 PolarHBondContact O-NZ 3.47Å; C437-K529 VanDerWaalsContact O-NZ 3.1Å
438	D	98.3	Very high	96.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-40.2	-167.5	-43.9	-66.8	0	0	0	113.9	C436 T455 H463 K512 P513 F525 I526 K529 Y530	C436-D438 PolarHBondContact O-N 2.95Å; D438-T455 WeakPolarHBondContact OD2-CG2 3.35Å; D438-H463 IonicContact OD2-NE2 3.23Å; D438-K512 VanDerWaalsContact C-CE 3.49Å; D438-K512 WeakPolarHBondContact O-CE 3.42Å; D438-K512 VanDerWaalsContact O-CG 3.32Å; D438-K512 WeakPolarHBondContact O-CG 3.47Å; D438-P513 WeakPolarHBondContact O-CG 3.46Å; D438-F525 HydrophobicContact CB-CD1 4.43Å; D438-F525 HydrophobicContact CB-CE1 4.25Å; D438-I526 HydrophobicContact CB-CD1 4.15Å; D438-I526 HydrophobicContact CB-CG1 3.91Å; D438-K529 WeakPolarHBondContact OD1-CE 3.47Å; D438-K529 IonicContact OD1-NZ 3.98Å; D438-K529 PolarHBondContact OD1-NZ 3.29Å; D438-Y530 WeakPolarHBondContact OD1-CE2 3.42Å; D438-Y530 VanDerWaalsContact OD1-CZ 3.32Å; D438-Y530 PolarHBondContact OD1-OH 3.24Å
439	C	97.4	Very high	96.5	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.014	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	3.4	-177.9	75.6	0	0	0	0	115.3	A441 C459 P513 N514 P515	C439-A441 PolarHBondContact O-N 2.82Å; C439-A441 VanDerWaalsContact O-N 3.08Å; C439-A441 VanDerWaalsContact SG-CB 3.59Å; C439-C459 PolarHBondContact SG-SG 2.66Å; C439-P513 CarbonylContact C-O 3.37Å; C439-P513 VanDerWaalsContact CA-O 3.3Å; C439-P513 WeakPolarHBondContact CA-O 3.36Å; C439-P513 HydrophobicContact CB-CG 4.43Å; C439-N514 CarbonylContact O-C 3.36Å; C439-N514 VanDerWaalsContact O-CA 3.31Å; C439-N514 WeakPolarHBondContact O-CA 3.03Å; C439-P515 WeakPolarHBondContact O-CD 3.45Å
440	G	96.9	Very high	96.7	Very high	32 Å²	32	32.4 Å²	32.4	33%	0.33	20%	0.196	S	C	.	.			trans	67.5	5.8	178.7	0	0	0	0	0	116	V435 C436	V435-G440 WeakPolarHBondContact CG1-O 3.23Å; C436-G440 WeakPolarHBondContact O-CA 3.24Å; C436-G440 PolarHBondContact O-N 3Å
441	A	97.6	Very high	96.9	Very high	10 Å²	10	30.7 Å²	30.7	8%	0.083	19%	0.188	C	C	.	.			trans	-62	131.4	177.4	0	0	0	0	0	111.7	V435 C436 C439 C456 P515	V435-A441 CarbonylContact C-O 3.59Å; C436-A441 HydrophobicContact CB-CB 4.12Å; C436-A441 WeakPolarHBondContact CB-O 3.38Å; C436-A441 PolarHBondContact N-O 3.48Å; C439-A441 PolarHBondContact O-N 2.82Å; C439-A441 VanDerWaalsContact O-N 3.08Å; C439-A441 VanDerWaalsContact SG-CB 3.59Å; A441-C456 HydrophobicContact CB-CB 3.93Å; A441-P515 HydrophobicContact CB-CB 4.14Å; A441-P515 HydrophobicContact CB-CG 3.9Å
442	P	96.8	Very high	97.1	Very high	91 Å²	91	25.2 Å²	25.2	59%	0.591	15%	0.154	S	C	*	.	B	Isolated β-bridge	trans	-69.2	155.7	-171.1	29.1	-36.6	0	0	0	112.9	D434	D434-P442 CarbonylContact O-C 3.43Å; D434-P442 WeakPolarHBondContact O-CA 3.37Å
443	N	92.4	Very high	97.2	Very high	133 Å²	133	24.4 Å²	24.4	71%	0.711	15%	0.147	S	C	*	.	S	Bend	trans	53.7	57.2	176.4	-57.2	-58.2	0	0	0	114.1	D434 T445	D434-N443 PolarHBondContact O-N 3.48Å; N443-T445 PolarHBondContact O-N 2.81Å
444	P	97.3	Very high	97.3	Very high	5 Å²	5	24.2 Å²	24.2	3%	0.032	15%	0.145	C	C	.	.			trans	-63.5	132.4	177.3	30.4	-37.9	0	0	0	112.2	N433 C436 L454 T455	N433-P444 WeakPolarHBondContact O-CD 3.25Å; N433-P444 WeakPolarHBondContact O-CG 3.42Å; C436-P444 HydrophobicContact CB-CB 4.4Å; P444-L454 HydrophobicContact CB-CB 3.84Å; P444-L454 HydrophobicContact CG-CB 3.69Å; P444-L454 HydrophobicContact CG-CD1 4.43Å; P444-T455 WeakPolarHBondContact CA-O 3.38Å; P444-T455 VanDerWaalsContact CB-C 3.41Å; P444-T455 VanDerWaalsContact CB-O 3.27Å; P444-T455 WeakPolarHBondContact CB-O 3.45Å
445	T	96.5	Very high	97.4	Very high	45 Å²	45	19.7 Å²	19.7	28%	0.276	12%	0.121	S	C	.	.			trans	-118.3	7.9	-176.7	54	0	0	0	0	114.3	N443 T455 S475 L476 T477	N443-T445 PolarHBondContact O-N 2.81Å; T445-T455 PolarHBondContact N-O 3.23Å; T445-S475 CarbonylContact O-C 3.57Å; T445-S475 WeakPolarHBondContact O-CA 3.2Å; T445-L476 PolarHBondContact O-N 3.27Å; T445-T477 HydrophobicContact CG2-CG2 4.29Å
446	W	97.9	Very high	97.4	Very high	32 Å²	32	17.7 Å²	17.7	12%	0.121	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	113.9	-178.9	-64.1	85.5	0	0	0	111.5	L454 T455 I457 S460 I473 Q474 L478	W446-L454 CarbonylContact O-C 3.6Å; W446-L454 WeakPolarHBondContact O-CA 3.35Å; W446-T455 WeakPolarHBondContact CB-OG1 3.45Å; W446-T455 PolarHBondContact N-O 3.48Å; W446-T455 VanDerWaalsContact N-O 3.07Å; W446-T455 PolarHBondContact O-N 3.27Å; W446-T455 PolarHBondContact O-OG1 2.86Å; W446-I457 HydrophobicContact CZ2-CD1 4.17Å; W446-I457 HydrophobicContact CZ2-CG1 4.09Å; W446-S460 VanDerWaalsContact CB-CB 3.4Å; W446-I473 HydrophobicContact CB-CG2 4.24Å; W446-I473 HydrophobicContact CD2-CG2 4.43Å; W446-I473 HydrophobicContact CE3-CG2 3.72Å; W446-Q474 CarbonylContact C-O 3.42Å; W446-Q474 WeakPolarHBondContact CA-O 3.41Å; W446-L478 HydrophobicContact CH2-CD1 4.05Å; W446-L478 HydrophobicContact CZ2-CD1 4.09Å
447	L	98.3	Very high	97.3	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	132.6	-177.2	169.9	60.4	0	0	0	111.1	T449 V453 L454 I473 Q474 L476 L486 A489	L447-T449 HydrophobicContact CD2-CG2 3.78Å; L447-T449 HydrophobicContact CG-CG2 3.84Å; L447-V453 WeakPolarHBondContact CA-O 3.35Å; L447-L454 HydrophobicContact CB-CD2 3.84Å; L447-L454 HydrophobicContact CD1-CD2 3.84Å; L447-L454 HydrophobicContact CG-CD2 4.39Å; L447-I473 WeakPolarHBondContact O-CA 3.32Å; L447-Q474 PolarHBondContact N-O 2.97Å; L447-Q474 PolarHBondContact O-N 3.49Å; L447-L476 HydrophobicContact CB-CD2 3.68Å; L447-L476 HydrophobicContact CB-CG 4.42Å; L447-L476 HydrophobicContact CD2-CD2 4Å; L447-L476 HydrophobicContact CG-CD2 4.48Å; L447-L486 HydrophobicContact CD2-CD2 3.92Å; L447-A489 HydrophobicContact CD1-CB 3.63Å; L447-A489 HydrophobicContact CD2-CB 3.96Å; L447-A489 HydrophobicContact CG-CB 4.49Å
448	S	98.2	Very high	97.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	102.3	160.3	-174.6	0	0	0	0	109.6	N450 L451 G452 V453 S471 R472	S448-N450 VanDerWaalsContact C-N 3.3Å; S448-N450 PolarHBondContact O-N 2.83Å; S448-N450 PolarHBondContact OG-OD1 3.35Å; S448-L451 PolarHBondContact O-N 2.81Å; S448-L451 VanDerWaalsContact O-N 3.17Å; S448-G452 PolarHBondContact O-N 3.34Å; S448-V453 PolarHBondContact N-O 3.04Å; S448-S471 PolarHBondContact OG-OG 3.02Å; S448-R472 CarbonylContact C-O 3.49Å; S448-R472 VanDerWaalsContact CA-O 3.32Å; S448-R472 WeakPolarHBondContact CA-O 3.47Å
449	T	96.4	Very high	97.2	Very high	6 Å²	6	26.9 Å²	26.9	4%	0.037	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-18.2	-169.4	48.3	0	0	0	0	114.9	L447 R472 E485 Q609	L447-T449 HydrophobicContact CD2-CG2 3.78Å; L447-T449 HydrophobicContact CG-CG2 3.84Å; T449-R472 PolarHBondContact N-O 3.31Å; T449-R472 PolarHBondContact OG1-O 3.36Å; T449-E485 HydrophobicContact CG2-CB 4.05Å; T449-E485 HydrophobicContact CG2-CG 4.39Å; T449-Q609 PolarHBondContact O-NE2 2.88Å; T449-Q609 PolarHBondContact O-OE1 3.05Å
450	N	96.4	Very high	97.2	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-14.7	172.4	67.7	-67.2	0	0	0	113.6	S448 Y470 S471 R472 L488 Q609 N610	S448-N450 VanDerWaalsContact C-N 3.3Å; S448-N450 PolarHBondContact O-N 2.83Å; S448-N450 PolarHBondContact OG-OD1 3.35Å; N450-Y470 PolarHBondContact ND2-O 3.3Å; N450-S471 VanDerWaalsContact OD1-CA 3.32Å; N450-S471 WeakPolarHBondContact OD1-CA 3.45Å; N450-R472 PolarHBondContact OD1-N 3.45Å; N450-L488 WeakPolarHBondContact O-CD1 3.45Å; N450-Q609 HydrophobicContact CB-CB 3.81Å; N450-N610 PolarHBondContact ND2-OD1 3.42Å; N450-N610 PolarHBondContact O-ND2 3.05Å; N450-N610 PolarHBondContact O-OD1 3.2Å
451	L	97.5	Very high	97.2	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-21.2	-176.8	-58.7	-179	0	0	0	113.6	S448 V453 F497 Y530 Y566	S448-L451 PolarHBondContact O-N 2.81Å; S448-L451 VanDerWaalsContact O-N 3.17Å; L451-V453 HydrophobicContact CB-CG2 3.98Å; L451-F497 HydrophobicContact CB-CE2 4.05Å; L451-F497 HydrophobicContact CB-CZ 4.34Å; L451-F497 HydrophobicContact CD1-CZ 4.16Å; L451-F497 HydrophobicContact CD2-CE2 4.3Å; L451-F497 HydrophobicContact CD2-CZ 4.42Å; L451-Y530 HydrophobicContact CD1-CD1 3.6Å; L451-Y530 HydrophobicContact CD1-CE1 3.56Å; L451-Y566 HydrophobicContact CD2-CE1 4.28Å
452	G	97.4	Very high	97.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	23	-179.3	0	0	0	0	0	115	S448 G493	S448-G452 PolarHBondContact O-N 3.34Å; G452-G493 PolarHBondContact O-N 3.33Å
453	V	98.4	Very high	97.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	149.4	-176.1	-63	0	0	0	0	113.5	C437 L447 S448 L451 N494 F497	C437-V453 HydrophobicContact CB-CB 4.18Å; L447-V453 WeakPolarHBondContact CA-O 3.35Å; S448-V453 PolarHBondContact N-O 3.04Å; L451-V453 HydrophobicContact CB-CG2 3.98Å; V453-N494 VanDerWaalsContact CA-OD1 3.3Å; V453-N494 WeakPolarHBondContact CA-OD1 3.38Å; V453-N494 VanDerWaalsContact CB-OD1 3.28Å; V453-N494 WeakPolarHBondContact CB-OD1 3.45Å; V453-F497 HydrophobicContact CG1-CB 3.49Å; V453-F497 VanDerWaalsContact CG1-CB 3.49Å; V453-F497 HydrophobicContact CG1-CD1 3.65Å; V453-F497 HydrophobicContact CG1-CD2 3.75Å; V453-F497 HydrophobicContact CG1-CE1 4.27Å; V453-F497 HydrophobicContact CG1-CE2 4.36Å; V453-F497 HydrophobicContact CG1-CG 3.34Å
454	L	98.6	Very high	97.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	131.9	178.7	-55	-169.1	0	0	0	112.4	V427 N433 C437 P444 W446 L447 L476 N494	V427-L454 HydrophobicContact CG1-CD1 4.28Å; V427-L454 HydrophobicContact CG1-CD2 4.43Å; N433-L454 HydrophobicContact CB-CD1 3.88Å; N433-L454 HydrophobicContact CB-CG 4.45Å; C437-L454 WeakPolarHBondContact CB-O 3.16Å; C437-L454 PolarHBondContact N-O 3.49Å; P444-L454 HydrophobicContact CB-CB 3.84Å; P444-L454 HydrophobicContact CG-CB 3.69Å; P444-L454 HydrophobicContact CG-CD1 4.43Å; W446-L454 CarbonylContact O-C 3.6Å; W446-L454 WeakPolarHBondContact O-CA 3.35Å; L447-L454 HydrophobicContact CB-CD2 3.84Å; L447-L454 HydrophobicContact CD1-CD2 3.84Å; L447-L454 HydrophobicContact CG-CD2 4.39Å; L454-L476 HydrophobicContact CD1-CD1 3.83Å; L454-L476 HydrophobicContact CD2-CD1 3.81Å; L454-L476 HydrophobicContact CD2-CD2 4.39Å; L454-L476 HydrophobicContact CD2-CG 4.33Å; L454-L476 HydrophobicContact CG-CD1 4.49Å; L454-N494 PolarHBondContact N-OD1 2.96Å; L454-N494 PolarHBondContact O-ND2 3.49Å
455	T	98.5	Very high	97.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	156	-177.6	61.7	0	0	0	0	111.5	D438 P444 T445 W446 S460	D438-T455 WeakPolarHBondContact OD2-CG2 3.35Å; P444-T455 WeakPolarHBondContact CA-O 3.38Å; P444-T455 VanDerWaalsContact CB-C 3.41Å; P444-T455 VanDerWaalsContact CB-O 3.27Å; P444-T455 WeakPolarHBondContact CB-O 3.45Å; T445-T455 PolarHBondContact N-O 3.23Å; W446-T455 WeakPolarHBondContact CB-OG1 3.45Å; W446-T455 PolarHBondContact N-O 3.48Å; W446-T455 VanDerWaalsContact N-O 3.07Å; W446-T455 PolarHBondContact O-N 3.27Å; W446-T455 PolarHBondContact O-OG1 2.86Å; T455-S460 WeakPolarHBondContact OG1-CB 3.21Å
456	C	97.9	Very high	97.2	Very high	12 Å²	12	25.8 Å²	25.8	8%	0.081	13%	0.127	C	C	.	.			trans	-77.9	164	168.4	73.2	0	0	0	0	110.7	C436 A441 E458 C459 S460	C436-C456 HydrophobicContact CB-CB 4.04Å; C436-C456 PolarHBondContact SG-N 3.34Å; A441-C456 HydrophobicContact CB-CB 3.93Å; C456-E458 VanDerWaalsContact C-N 3.26Å; C456-E458 PolarHBondContact O-N 3.25Å; C456-E458 VanDerWaalsContact O-N 3.15Å; C456-C459 PolarHBondContact O-N 3.36Å; C456-C459 VanDerWaalsContact SG-SG 3.61Å; C456-S460 WeakPolarHBondContact O-CB 3.36Å; C456-S460 PolarHBondContact O-N 3.2Å
457	I	95.5	Very high	96.9	Very high	112 Å²	112	25.2 Å²	25.2	57%	0.574	13%	0.131	S	C	*	.	H	α-helix	trans	-53	-40.2	-175.6	-169.5	166.5	0	0	0	113.7	W446 S460 G461	W446-I457 HydrophobicContact CZ2-CD1 4.17Å; W446-I457 HydrophobicContact CZ2-CG1 4.09Å; I457-S460 PolarHBondContact O-N 3.38Å; I457-S460 PolarHBondContact O-OG 3.11Å; I457-G461 PolarHBondContact O-N 3.35Å; I457-G461 VanDerWaalsContact O-N 3.12Å
458	E	97	Very high	96.5	Very high	84 Å²	84	30.2 Å²	30.2	39%	0.393	16%	0.161	S	C	.	.	H	α-helix	trans	-68.5	-47.3	-179.4	-59.1	164.3	124.5	0	0	112.2	C456 S460 G461 I462 M519 R522	C456-E458 VanDerWaalsContact C-N 3.26Å; C456-E458 PolarHBondContact O-N 3.25Å; C456-E458 VanDerWaalsContact O-N 3.15Å; E458-S460 VanDerWaalsContact C-N 3.31Å; E458-S460 PolarHBondContact O-N 3.17Å; E458-G461 PolarHBondContact O-N 3.33Å; E458-I462 PolarHBondContact O-N 2.72Å; E458-M519 HydrophobicContact CB-CE 4.43Å; E458-M519 HydrophobicContact CB-SD 4.08Å; E458-R522 IonicContact OE1-NH2 3.58Å; E458-R522 PolarHBondContact OE1-NH2 3.09Å; E458-R522 IonicContact OE2-CZ 2.71Å; E458-R522 IonicContact OE2-NH1 3.17Å; E458-R522 PolarHBondContact OE2-NH1 2.97Å; E458-R522 IonicContact OE2-NH2 3.21Å; E458-R522 PolarHBondContact OE2-NH2 3Å
459	C	98	Very high	95.9	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-68.6	-34.6	177.2	-61.1	0	0	0	0	110.9	C439 C456 G461 I462 H463 I526	C439-C459 PolarHBondContact SG-SG 2.66Å; C456-C459 PolarHBondContact O-N 3.36Å; C456-C459 VanDerWaalsContact SG-SG 3.61Å; C459-G461 PolarHBondContact O-N 3.32Å; C459-I462 PolarHBondContact O-N 3.23Å; C459-I462 VanDerWaalsContact O-N 3.14Å; C459-H463 PolarHBondContact O-CD2 3.44Å; C459-H463 VanDerWaalsContact O-CD2 3.25Å; C459-H463 PolarHBondContact O-N 3.16Å; C459-I526 HydrophobicContact CB-CD1 3.83Å
460	S	97.8	Very high	95.8	Very high	4 Å²	4	37.8 Å²	37.8	3%	0.028	19%	0.194	C	C	.	.	H	α-helix	trans	-61.7	-31.5	174.6	90.7	0	0	0	0	112.5	W446 T455 C456 I457 E458 H463 R464	W446-S460 VanDerWaalsContact CB-CB 3.4Å; T455-S460 WeakPolarHBondContact OG1-CB 3.21Å; C456-S460 WeakPolarHBondContact O-CB 3.36Å; C456-S460 PolarHBondContact O-N 3.2Å; I457-S460 PolarHBondContact O-N 3.38Å; I457-S460 PolarHBondContact O-OG 3.11Å; E458-S460 VanDerWaalsContact C-N 3.31Å; E458-S460 PolarHBondContact O-N 3.17Å; S460-H463 PolarHBondContact O-N 3.47Å; S460-R464 WeakPolarHBondContact O-CG 3.38Å; S460-R464 PolarHBondContact O-N 2.65Å; S460-R464 VanDerWaalsContact O-N 3.16Å
461	G	96.4	Very high	95.8	Very high	29 Å²	29	37.9 Å²	37.9	30%	0.299	19%	0.194	S	C	.	.	H	α-helix	trans	-62.8	-50.4	171.6	0	0	0	0	0	111.7	I457 E458 C459 H463 R464 E465	I457-G461 PolarHBondContact O-N 3.35Å; I457-G461 VanDerWaalsContact O-N 3.12Å; E458-G461 PolarHBondContact O-N 3.33Å; C459-G461 PolarHBondContact O-N 3.32Å; G461-H463 VanDerWaalsContact C-N 3.3Å; G461-H463 PolarHBondContact O-N 2.96Å; G461-R464 WeakPolarHBondContact O-CB 3.49Å; G461-R464 PolarHBondContact O-N 3.27Å; G461-E465 PolarHBondContact O-N 3.44Å
462	I	97.8	Very high	95.7	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-59.9	-41.1	176.3	-59.5	165.6	0	0	0	110.8	E458 C459 R464 E465 L466 M519 R522 K523 I526	E458-I462 PolarHBondContact O-N 2.72Å; C459-I462 PolarHBondContact O-N 3.23Å; C459-I462 VanDerWaalsContact O-N 3.14Å; I462-R464 PolarHBondContact O-N 2.87Å; I462-E465 WeakPolarHBondContact O-CA 3.36Å; I462-E465 WeakPolarHBondContact O-CB 3.45Å; I462-E465 PolarHBondContact O-N 3.1Å; I462-L466 PolarHBondContact O-N 3.37Å; I462-M519 HydrophobicContact CD1-CE 3.77Å; I462-M519 HydrophobicContact CG1-CE 3.81Å; I462-R522 HydrophobicContact CD1-CB 3.68Å; I462-K523 HydrophobicContact CD1-CB 4.21Å; I462-K523 HydrophobicContact CG2-CB 4.22Å; I462-K523 HydrophobicContact CG2-CG 4.12Å; I462-I526 HydrophobicContact CB-CD1 4.1Å; I462-I526 HydrophobicContact CD1-CD1 3.88Å; I462-I526 HydrophobicContact CG2-CB 4.02Å; I462-I526 HydrophobicContact CG2-CD1 4.08Å; I462-I526 HydrophobicContact CG2-CG2 3.7Å
463	H	97.8	Very high	95.7	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-28	175.4	-86	-120.8	0	0	0	113.7	D438 C459 S460 G461 S471 I473 Y530	D438-H463 IonicContact OD2-NE2 3.23Å; C459-H463 PolarHBondContact O-CD2 3.44Å; C459-H463 VanDerWaalsContact O-CD2 3.25Å; C459-H463 PolarHBondContact O-N 3.16Å; S460-H463 PolarHBondContact O-N 3.47Å; G461-H463 VanDerWaalsContact C-N 3.3Å; G461-H463 PolarHBondContact O-N 2.96Å; H463-S471 WeakPolarHBondContact ND1-CB 3.47Å; H463-S471 PolarHBondContact ND1-OG 3.15Å; H463-I473 HydrophobicContact CB-CD1 3.58Å; H463-I473 HydrophobicContact CB-CG1 3.52Å; H463-Y530 AromaticContact CE1-CD2 3.84Å; H463-Y530 AromaticContact CE1-CE1 3.89Å; H463-Y530 AromaticContact CE1-CE2 3.33Å; H463-Y530 WeakPolarHBondContact CE1-CE2 3.47Å; H463-Y530 AromaticContact CE1-CZ 3.37Å; H463-Y530 AromaticContact NE2-CD2 3.82Å; H463-Y530 AromaticContact NE2-CE2 3.23Å; H463-Y530 WeakPolarHBondContact NE2-CE2 3.49Å; H463-Y530 AromaticContact NE2-CZ 3.69Å
464	R	96.4	Very high	95.6	Very high	124 Å²	124	44 Å²	44	47%	0.468	22%	0.22	S	C	.	.	H	α-helix	trans	-72	-35.7	171.4	-67.4	178.2	-173.2	-70.2	1.9	111.7	S460 G461 I462 L466 G467 I473	S460-R464 WeakPolarHBondContact O-CG 3.38Å; S460-R464 PolarHBondContact O-N 2.65Å; S460-R464 VanDerWaalsContact O-N 3.16Å; G461-R464 WeakPolarHBondContact O-CB 3.49Å; G461-R464 PolarHBondContact O-N 3.27Å; I462-R464 PolarHBondContact O-N 2.87Å; R464-L466 VanDerWaalsContact C-N 3.29Å; R464-L466 PolarHBondContact O-N 3.11Å; R464-G467 PolarHBondContact O-N 3.31Å; R464-G467 VanDerWaalsContact O-N 3.16Å; R464-I473 HydrophobicContact CG-CB 4.04Å; R464-I473 HydrophobicContact CG-CG1 4.3Å; R464-I473 HydrophobicContact CG-CG2 4.47Å; R464-I473 VanDerWaalsContact CZ-O 3.31Å; R464-I473 PolarHBondContact NH1-O 3.05Å; R464-I473 PolarHBondContact NH2-O 3.44Å
465	E	95.6	Very high	95.4	Very high	118 Å²	118	44 Å²	44	55%	0.551	22%	0.22	S	C	*	.	H	α-helix	trans	-66.2	-26.8	175.7	-63.1	178.2	-144.6	0	0	113.3	G461 I462 G467 K523	G461-E465 PolarHBondContact O-N 3.44Å; I462-E465 WeakPolarHBondContact O-CA 3.36Å; I462-E465 WeakPolarHBondContact O-CB 3.45Å; I462-E465 PolarHBondContact O-N 3.1Å; E465-G467 VanDerWaalsContact C-N 3.27Å; E465-G467 PolarHBondContact O-N 3.39Å; E465-K523 IonicContact OE2-NZ 2.84Å; E465-K523 PolarHBondContact OE2-NZ 3.47Å
466	L	94.1	Very high	95.1	Very high	17 Å²	17	44.5 Å²	44.5	9%	0.089	22%	0.222	C	C	.	.	H	α-helix	trans	-65.5	-32.1	172.4	-50.5	-178.4	0	0	0	112	I462 R464 Y470 I526 Y530 I531	I462-L466 PolarHBondContact O-N 3.37Å; R464-L466 VanDerWaalsContact C-N 3.29Å; R464-L466 PolarHBondContact O-N 3.11Å; L466-Y470 HydrophobicContact CB-CD2 4.13Å; L466-Y470 HydrophobicContact CB-CG 4.5Å; L466-Y470 WeakPolarHBondContact O-CD2 3.48Å; L466-I526 HydrophobicContact CD1-CG2 3.98Å; L466-I526 HydrophobicContact CD2-CG2 4.44Å; L466-Y530 HydrophobicContact CD1-CD2 4.49Å; L466-Y530 HydrophobicContact CD1-CG 4.5Å; L466-I531 HydrophobicContact CD2-CD1 3.9Å; L466-I531 HydrophobicContact CD2-CG1 4.32Å
467	G	90.7	Very high	94.5	Very high	20 Å²	20	48 Å²	48	21%	0.206	24%	0.244	C	C	.	.			trans	89.3	162.2	-176.9	0	0	0	0	0	115.1	R464 E465 H469 Y470 S471	R464-G467 PolarHBondContact O-N 3.31Å; R464-G467 VanDerWaalsContact O-N 3.16Å; E465-G467 VanDerWaalsContact C-N 3.27Å; E465-G467 PolarHBondContact O-N 3.39Å; G467-H469 PolarHBondContact O-N 3.11Å; G467-Y470 PolarHBondContact O-N 2.86Å; G467-S471 PolarHBondContact O-N 3.36Å; G467-S471 VanDerWaalsContact O-N 3.1Å
468	V	89.3	Confident	93.9	Very high	105 Å²	105	48.6 Å²	48.6	64%	0.636	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-0.4	-167.2	-59.4	0	0	0	0	116.2	R472	V468-R472 HydrophobicContact CB-CG 4.17Å; V468-R472 PolarHBondContact O-NE 3.12Å; V468-R472 PolarHBondContact O-NH2 3.02Å
469	H	86.2	Confident	93.4	Very high	101 Å²	101	48.1 Å²	48.1	47%	0.468	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-18.2	173.9	56.1	-83.4	0	0	0	112.7	G467	G467-H469 PolarHBondContact O-N 3.11Å
470	Y	93.9	Very high	92.9	Very high	65 Å²	65	53.9 Å²	53.9	26%	0.255	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-44.2	167.5	-61.8	-69.1	0	0	0	112.1	N450 L466 G467 I531	N450-Y470 PolarHBondContact ND2-O 3.3Å; L466-Y470 HydrophobicContact CB-CD2 4.13Å; L466-Y470 HydrophobicContact CB-CG 4.5Å; L466-Y470 WeakPolarHBondContact O-CD2 3.48Å; G467-Y470 PolarHBondContact O-N 2.86Å; Y470-I531 HydrophobicContact CD1-CG1 4.02Å; Y470-I531 HydrophobicContact CD2-CD1 3.9Å; Y470-I531 HydrophobicContact CD2-CG1 3.82Å; Y470-I531 HydrophobicContact CE1-CB 4.23Å; Y470-I531 HydrophobicContact CE1-CG1 3.93Å; Y470-I531 HydrophobicContact CE1-CG2 4.2Å; Y470-I531 HydrophobicContact CE2-CD1 3.63Å; Y470-I531 HydrophobicContact CE2-CG1 3.71Å; Y470-I531 HydrophobicContact CE2-CG2 4.44Å; Y470-I531 HydrophobicContact CG-CG1 3.99Å
471	S	96.4	Very high	92.6	Very high	2 Å²	2	54 Å²	54	1%	0.014	28%	0.283	C	S	.	.			trans	-149.2	136.2	-175.9	-175.7	0	0	0	0	113.5	S448 N450 H463 G467 I473	S448-S471 PolarHBondContact OG-OG 3.02Å; N450-S471 VanDerWaalsContact OD1-CA 3.32Å; N450-S471 WeakPolarHBondContact OD1-CA 3.45Å; H463-S471 WeakPolarHBondContact ND1-CB 3.47Å; H463-S471 PolarHBondContact ND1-OG 3.15Å; G467-S471 PolarHBondContact O-N 3.36Å; G467-S471 VanDerWaalsContact O-N 3.1Å; S471-I473 WeakPolarHBondContact OG-CD1 3.22Å
472	R	95.7	Very high	92.4	Very high	74 Å²	74	52.7 Å²	52.7	28%	0.279	27%	0.269	S	S	.	.			trans	-115.8	103.6	177.8	-61.6	-175.5	-167.6	115.1	17.4	110.4	S448 T449 N450 V468 Q609	S448-R472 CarbonylContact C-O 3.49Å; S448-R472 VanDerWaalsContact CA-O 3.32Å; S448-R472 WeakPolarHBondContact CA-O 3.47Å; T449-R472 PolarHBondContact N-O 3.31Å; T449-R472 PolarHBondContact OG1-O 3.36Å; N450-R472 PolarHBondContact OD1-N 3.45Å; V468-R472 HydrophobicContact CB-CG 4.17Å; V468-R472 PolarHBondContact O-NE 3.12Å; V468-R472 PolarHBondContact O-NH2 3.02Å; R472-Q609 VanDerWaalsContact CZ-O 3.24Å; R472-Q609 PolarHBondContact NH1-O 3.41Å; R472-Q609 PolarHBondContact NH2-O 3.07Å
473	I	97.3	Very high	92.2	Very high	12 Å²	12	52.6 Å²	52.6	6%	0.062	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	124.8	-170	-62	-65.3	0	0	0	112.7	W446 L447 H463 R464 S471	W446-I473 HydrophobicContact CB-CG2 4.24Å; W446-I473 HydrophobicContact CD2-CG2 4.43Å; W446-I473 HydrophobicContact CE3-CG2 3.72Å; L447-I473 WeakPolarHBondContact O-CA 3.32Å; H463-I473 HydrophobicContact CB-CD1 3.58Å; H463-I473 HydrophobicContact CB-CG1 3.52Å; R464-I473 HydrophobicContact CG-CB 4.04Å; R464-I473 HydrophobicContact CG-CG1 4.3Å; R464-I473 HydrophobicContact CG-CG2 4.47Å; R464-I473 VanDerWaalsContact CZ-O 3.31Å; R464-I473 PolarHBondContact NH1-O 3.05Å; R464-I473 PolarHBondContact NH2-O 3.44Å; S471-I473 WeakPolarHBondContact OG-CD1 3.22Å
474	Q	95.9	Very high	92.1	Very high	43 Å²	43	52.6 Å²	52.6	20%	0.201	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	162.7	167.6	-70.9	170.2	-40.4	0	0	110.5	W446 L447 D479 L481 E485	W446-Q474 CarbonylContact C-O 3.42Å; W446-Q474 WeakPolarHBondContact CA-O 3.41Å; L447-Q474 PolarHBondContact N-O 2.97Å; L447-Q474 PolarHBondContact O-N 3.49Å; Q474-D479 WeakPolarHBondContact CA-OD2 3.44Å; Q474-D479 HydrophobicContact CB-CB 4.37Å; Q474-L481 HydrophobicContact CB-CD2 3.76Å; Q474-L481 HydrophobicContact CG-CD2 4.28Å; Q474-E485 PolarHBondContact NE2-OE1 3.28Å; Q474-E485 PolarHBondContact OE1-OE1 3.07Å
475	S	95.1	Very high	92	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131.9	179.1	-177.3	0	0	0	0	112.2	T445 T477 L478 D479	T445-S475 CarbonylContact O-C 3.57Å; T445-S475 WeakPolarHBondContact O-CA 3.2Å; S475-T477 PolarHBondContact O-N 2.91Å; S475-T477 VanDerWaalsContact O-N 3.07Å; S475-T477 PolarHBondContact OG-N 2.93Å; S475-T477 PolarHBondContact OG-OG1 3.26Å; S475-T477 VanDerWaalsContact OG-OG1 3.06Å; S475-L478 PolarHBondContact OG-N 2.96Å; S475-L478 VanDerWaalsContact OG-N 3.1Å; S475-D479 PolarHBondContact N-OD2 3.24Å; S475-D479 PolarHBondContact O-N 3.01Å
476	L	91.7	Very high	92	Very high	11 Å²	11	42 Å²	42	6%	0.058	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	0.4	170.1	-56.5	-168.5	0	0	0	114.1	L424 K428 T445 L447 L454 L481 L486	L424-L476 HydrophobicContact CD2-CB 4.17Å; L424-L476 HydrophobicContact CD2-CD1 4.42Å; L424-L476 HydrophobicContact CD2-CD2 3.7Å; L424-L476 HydrophobicContact CD2-CG 4.31Å; K428-L476 HydrophobicContact CG-CD1 4.37Å; T445-L476 PolarHBondContact O-N 3.27Å; L447-L476 HydrophobicContact CB-CD2 3.68Å; L447-L476 HydrophobicContact CB-CG 4.42Å; L447-L476 HydrophobicContact CD2-CD2 4Å; L447-L476 HydrophobicContact CG-CD2 4.48Å; L454-L476 HydrophobicContact CD1-CD1 3.83Å; L454-L476 HydrophobicContact CD2-CD1 3.81Å; L454-L476 HydrophobicContact CD2-CD2 4.39Å; L454-L476 HydrophobicContact CD2-CG 4.33Å; L454-L476 HydrophobicContact CG-CD1 4.49Å; L476-L481 HydrophobicContact CD2-CD1 3.64Å; L476-L486 HydrophobicContact CD2-CD2 4.43Å
477	T	85.2	Confident	92.1	Very high	86 Å²	86	41.2 Å²	41.2	53%	0.528	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.3	-16.8	-173.5	49.2	0	0	0	0	114.8	T445 S475	T445-T477 HydrophobicContact CG2-CG2 4.29Å; S475-T477 PolarHBondContact O-N 2.91Å; S475-T477 VanDerWaalsContact O-N 3.07Å; S475-T477 PolarHBondContact OG-N 2.93Å; S475-T477 PolarHBondContact OG-OG1 3.26Å; S475-T477 VanDerWaalsContact OG-OG1 3.06Å
478	L	84.2	Confident	92.4	Very high	124 Å²	124	40.2 Å²	40.2	65%	0.649	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.9	-25	-178.3	-55.2	175.2	0	0	0	113.2	W446 S475	W446-L478 HydrophobicContact CH2-CD1 4.05Å; W446-L478 HydrophobicContact CZ2-CD1 4.09Å; S475-L478 PolarHBondContact OG-N 2.96Å; S475-L478 VanDerWaalsContact OG-N 3.1Å
479	D	86.9	Confident	92.7	Very high	73 Å²	73	35.2 Å²	35.2	39%	0.39	18%	0.18	S	C	.	.	S	Bend	trans	-101.9	146.7	178.2	-63.8	-53.3	0	0	0	110.3	Q474 S475 L481	Q474-D479 WeakPolarHBondContact CA-OD2 3.44Å; Q474-D479 HydrophobicContact CB-CB 4.37Å; S475-D479 PolarHBondContact N-OD2 3.24Å; S475-D479 PolarHBondContact O-N 3.01Å; D479-L481 HydrophobicContact CB-CD2 4.06Å; D479-L481 PolarHBondContact O-N 2.79Å
480	V	86.5	Confident	93.1	Very high	121 Å²	121	31.8 Å²	31.8	73%	0.733	16%	0.163	S	C	*	.			trans	-83.1	112.4	169.9	-176.7	0	0	0	0	107.6	H684	V480-H684 PolarHBondContact O-CE1 3.46Å; V480-H684 PolarHBondContact O-ND1 2.87Å
481	L	90.9	Very high	93.2	Very high	8 Å²	8	30.4 Å²	30.4	4%	0.042	16%	0.16	C	C	.	.			trans	-98.9	131.9	-175.2	-57.8	179.7	0	0	0	111.7	T420 L424 Q474 L476 D479 L486 H684	T420-L481 VanDerWaalsContact CG2-O 3.26Å; T420-L481 WeakPolarHBondContact CG2-O 3.48Å; L424-L481 HydrophobicContact CD2-CD1 4.28Å; Q474-L481 HydrophobicContact CB-CD2 3.76Å; Q474-L481 HydrophobicContact CG-CD2 4.28Å; L476-L481 HydrophobicContact CD2-CD1 3.64Å; D479-L481 HydrophobicContact CB-CD2 4.06Å; D479-L481 PolarHBondContact O-N 2.79Å; L481-L486 HydrophobicContact CB-CD2 4.39Å; L481-L486 HydrophobicContact CB-CG 4.43Å; L481-L486 HydrophobicContact CD1-CD2 3.83Å; L481-H684 VanDerWaalsContact C-CE1 3.42Å
482	S	92.9	Very high	93.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.162	C	C	.	.			trans	-78.7	163.8	173	67.9	0	0	0	0	110.9	S484 E485 L486 H684 V685	S482-S484 PolarHBondContact O-N 3.03Å; S482-S484 PolarHBondContact OG-OG 3.36Å; S482-E485 VanDerWaalsContact CB-OE2 3.24Å; S482-E485 WeakPolarHBondContact CB-OE2 3.39Å; S482-E485 PolarHBondContact N-OE2 2.76Å; S482-E485 PolarHBondContact O-N 2.88Å; S482-E485 VanDerWaalsContact O-N 3.1Å; S482-E485 WeakPolarHBondContact OG-CG 3.39Å; S482-E485 PolarHBondContact OG-N 3Å; S482-E485 PolarHBondContact OG-OE2 2.84Å; S482-L486 PolarHBondContact O-N 2.97Å; S482-H684 PolarHBondContact N-CE1 3.23Å; S482-V685 VanDerWaalsContact CB-O 3.26Å; S482-V685 WeakPolarHBondContact CB-O 3.2Å; S482-V685 PolarHBondContact OG-O 3.35Å
483	T	93.8	Very high	93.3	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-25.2	178.1	58.8	0	0	0	0	111.8	L419 I423 E485 L486 L487 H686 V687 W691	L419-T483 HydrophobicContact CD2-CG2 4.21Å; L419-T483 HydrophobicContact CG-CG2 4.34Å; I423-T483 HydrophobicContact CD1-CG2 3.86Å; T483-E485 VanDerWaalsContact C-N 3.32Å; T483-E485 PolarHBondContact O-N 3.18Å; T483-L486 PolarHBondContact O-N 3.16Å; T483-L487 PolarHBondContact O-N 3.37Å; T483-H686 PolarHBondContact N-ND1 2.93Å; T483-H686 VanDerWaalsContact OG1-CA 3.29Å; T483-H686 WeakPolarHBondContact OG1-CA 3.33Å; T483-V687 PolarHBondContact OG1-N 3.18Å; T483-W691 WeakPolarHBondContact O-CH2 3.41Å; T483-W691 WeakPolarHBondContact O-CZ2 3.43Å
484	S	94.5	Very high	93.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-20.2	172.3	74.1	0	0	0	0	114	S482 R642 V685	S482-S484 PolarHBondContact O-N 3.03Å; S482-S484 PolarHBondContact OG-OG 3.36Å; S484-R642 PolarHBondContact O-NH1 3.03Å; S484-R642 PolarHBondContact OG-NH1 2.73Å; S484-V685 WeakPolarHBondContact CB-O 3.28Å; S484-V685 PolarHBondContact N-O 2.98Å; S484-V685 PolarHBondContact OG-O 2.79Å
485	E	95.5	Very high	93.3	Very high	19 Å²	19	26.4 Å²	26.4	9%	0.089	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-22.2	175.1	-76.1	158.2	136.5	0	0	112.3	T449 Q474 S482 T483 H684	T449-E485 HydrophobicContact CG2-CB 4.05Å; T449-E485 HydrophobicContact CG2-CG 4.39Å; Q474-E485 PolarHBondContact NE2-OE1 3.28Å; Q474-E485 PolarHBondContact OE1-OE1 3.07Å; S482-E485 VanDerWaalsContact CB-OE2 3.24Å; S482-E485 WeakPolarHBondContact CB-OE2 3.39Å; S482-E485 PolarHBondContact N-OE2 2.76Å; S482-E485 PolarHBondContact O-N 2.88Å; S482-E485 VanDerWaalsContact O-N 3.1Å; S482-E485 WeakPolarHBondContact OG-CG 3.39Å; S482-E485 PolarHBondContact OG-N 3Å; S482-E485 PolarHBondContact OG-OE2 2.84Å; T483-E485 VanDerWaalsContact C-N 3.32Å; T483-E485 PolarHBondContact O-N 3.18Å; E485-H684 IonicContact OE2-ND1 3.36Å
486	L	96	Very high	93.4	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-91.9	-4	176.8	-60.9	177.7	0	0	0	114	T420 I423 L424 L447 L476 L481 S482 T483 A489 K490	T420-L486 HydrophobicContact CG2-CD1 3.88Å; I423-L486 HydrophobicContact CB-CD1 4Å; I423-L486 HydrophobicContact CG2-CB 3.73Å; I423-L486 HydrophobicContact CG2-CD1 3.77Å; I423-L486 HydrophobicContact CG2-CG 4.36Å; L424-L486 HydrophobicContact CD2-CD1 4.17Å; L424-L486 HydrophobicContact CD2-CD2 3.72Å; L424-L486 HydrophobicContact CG-CD1 3.91Å; L424-L486 HydrophobicContact CG-CD2 4.38Å; L447-L486 HydrophobicContact CD2-CD2 3.92Å; L476-L486 HydrophobicContact CD2-CD2 4.43Å; L481-L486 HydrophobicContact CB-CD2 4.39Å; L481-L486 HydrophobicContact CB-CG 4.43Å; L481-L486 HydrophobicContact CD1-CD2 3.83Å; S482-L486 PolarHBondContact O-N 2.97Å; T483-L486 PolarHBondContact O-N 3.16Å; L486-A489 WeakPolarHBondContact O-CB 3.31Å; L486-A489 PolarHBondContact O-N 2.9Å; L486-K490 PolarHBondContact O-N 2.95Å
487	L	95.3	Very high	93.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.5	-49.1	-169.6	-177.4	57.9	0	0	0	112.8	T483 A489 N491 L601 H602 D605 L639 V687 Y689 W691	T483-L487 PolarHBondContact O-N 3.37Å; L487-A489 VanDerWaalsContact C-N 3.35Å; L487-N491 PolarHBondContact O-ND2 2.94Å; L487-L601 HydrophobicContact CD2-CB 3.9Å; L487-H602 HydrophobicContact CD1-CB 4.15Å; L487-H602 HydrophobicContact CG-CB 4.02Å; L487-D605 HydrophobicContact CD2-CB 3.8Å; L487-D605 HydrophobicContact CG-CB 4.49Å; L487-L639 HydrophobicContact CD2-CD1 4.5Å; L487-V687 HydrophobicContact CD2-CG2 4.47Å; L487-Y689 HydrophobicContact CD1-CD1 3.64Å; L487-Y689 HydrophobicContact CD1-CD2 3.82Å; L487-Y689 HydrophobicContact CD1-CE1 3.79Å; L487-Y689 HydrophobicContact CD1-CE2 3.93Å; L487-Y689 HydrophobicContact CD1-CG 3.66Å; L487-W691 HydrophobicContact CB-CH2 4.06Å; L487-W691 HydrophobicContact CD1-CH2 3.84Å; L487-W691 HydrophobicContact CD1-CZ2 4.43Å; L487-W691 HydrophobicContact CD1-CZ3 4.28Å
488	L	97.2	Very high	94.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-67.6	-36.5	172.4	-59.1	-176.9	0	0	0	112	N450 K490 N491 V492 H602 D605 F606	N450-L488 WeakPolarHBondContact O-CD1 3.45Å; L488-K490 VanDerWaalsContact C-N 3.26Å; L488-K490 PolarHBondContact O-N 2.94Å; L488-N491 PolarHBondContact O-N 2.9Å; L488-V492 WeakPolarHBondContact O-CB 3.25Å; L488-V492 WeakPolarHBondContact O-CG2 3.4Å; L488-V492 PolarHBondContact O-N 3.37Å; L488-H602 HydrophobicContact CD2-CB 4.28Å; L488-H602 VanDerWaalsContact CD2-O 3.3Å; L488-H602 WeakPolarHBondContact CD2-O 3.24Å; L488-D605 HydrophobicContact CD2-CB 4.29Å; L488-D605 WeakPolarHBondContact CG-OD2 3.49Å; L488-F606 HydrophobicContact CD1-CB 4.38Å; L488-F606 HydrophobicContact CD1-CD2 4.04Å; L488-F606 HydrophobicContact CD2-CB 3.84Å; L488-F606 HydrophobicContact CD2-CD2 4.37Å
489	A	95.9	Very high	94.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.1	-37.5	-179.8	0	0	0	0	0	112.7	V427 L447 L486 L487	V427-A489 HydrophobicContact CG1-CB 3.9Å; V427-A489 HydrophobicContact CG2-CB 3.97Å; L447-A489 HydrophobicContact CD1-CB 3.63Å; L447-A489 HydrophobicContact CD2-CB 3.96Å; L447-A489 HydrophobicContact CG-CB 4.49Å; L486-A489 WeakPolarHBondContact O-CB 3.31Å; L486-A489 PolarHBondContact O-N 2.9Å; L487-A489 VanDerWaalsContact C-N 3.35Å
490	K	95.2	Very high	95.3	Very high	29 Å²	29	22.3 Å²	22.3	13%	0.126	13%	0.125	C	C	.	.	H	α-helix	trans	-78.6	-16.2	178.2	176	56.3	-175.3	146	0	114.3	I423 E426 V427 M430 L486 L488 W691	I423-K490 HydrophobicContact CG2-CB 4.42Å; E426-K490 HydrophobicContact CG-CD 3.62Å; E426-K490 IonicContact OE1-NZ 3.89Å; E426-K490 PolarHBondContact OE1-NZ 3.02Å; V427-K490 HydrophobicContact CG2-CB 3.99Å; M430-K490 WeakPolarHBondContact CE-O 3.48Å; M430-K490 VanDerWaalsContact SD-C 3.57Å; M430-K490 VanDerWaalsContact SD-CA 3.57Å; M430-K490 HydrophobicContact SD-CD 4.33Å; M430-K490 VanDerWaalsContact SD-O 3.36Å; L486-K490 PolarHBondContact O-N 2.95Å; L488-K490 VanDerWaalsContact C-N 3.26Å; L488-K490 PolarHBondContact O-N 2.94Å; K490-W691 HydrophobicContact CB-CE3 4.25Å; K490-W691 HydrophobicContact CB-CZ3 3.96Å; K490-W691 WeakPolarHBondContact CE-O 3.35Å; K490-W691 HydrophobicContact CG-CE3 4.01Å; K490-W691 HydrophobicContact CG-CZ3 4.23Å
491	N	95.7	Very high	95.7	Very high	36 Å²	36	16.6 Å²	16.6	19%	0.193	9%	0.09	C	C	.	.	H	α-helix	trans	-113.8	-12.5	-175	-64.7	-79.4	0	0	0	114.1	L487 L488 H602 Y689	L487-N491 PolarHBondContact O-ND2 2.94Å; L488-N491 PolarHBondContact O-N 2.9Å; N491-H602 HydrophobicContact CB-CB 4.17Å; N491-Y689 PolarHBondContact ND2-OH 2.91Å; N491-Y689 PolarHBondContact OD1-OH 2.71Å
492	V	96.9	Very high	95.9	Very high	6 Å²	6	17.4 Å²	17.4	4%	0.036	9%	0.094	C	C	.	.	S	Bend	trans	-107.7	-76.1	-178.8	-177.7	0	0	0	0	111.9	L488 F497 I559 I563	L488-V492 WeakPolarHBondContact O-CB 3.25Å; L488-V492 WeakPolarHBondContact O-CG2 3.4Å; L488-V492 PolarHBondContact O-N 3.37Å; V492-F497 HydrophobicContact CG1-CB 3.92Å; V492-F497 HydrophobicContact CG1-CD2 4.04Å; V492-F497 HydrophobicContact CG1-CG 4.48Å; V492-I559 HydrophobicContact CG2-CG1 3.79Å; V492-I563 HydrophobicContact CB-CD1 4.39Å; V492-I563 HydrophobicContact CG1-CD1 3.69Å; V492-I563 HydrophobicContact CG2-CD1 3.74Å
493	G	95.8	Very high	96	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.01	11%	0.113	C	C	.	.			trans	73.5	153.7	-175.4	0	0	0	0	0	114.7	G452 A495 G496 F497	G452-G493 PolarHBondContact O-N 3.33Å; G493-A495 PolarHBondContact O-N 2.81Å; G493-G496 PolarHBondContact O-N 3.21Å; G493-F497 WeakPolarHBondContact O-CB 3.43Å; G493-F497 PolarHBondContact O-N 2.64Å
494	N	98.1	Very high	96	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-61.1	-38.3	-172.5	-75.3	-4.2	0	0	0	113.9	G432 N433 V435 C437 V453 L454 N498	G432-N494 VanDerWaalsContact O-CB 3.26Å; G432-N494 WeakPolarHBondContact O-CB 3.4Å; G432-N494 PolarHBondContact O-ND2 3.49Å; N433-N494 WeakPolarHBondContact OD1-CB 3.25Å; N433-N494 PolarHBondContact OD1-N 3Å; N433-N494 PolarHBondContact OD1-OD1 2.83Å; V435-N494 PolarHBondContact O-ND2 3.3Å; C437-N494 HydrophobicContact CB-CB 4.42Å; C437-N494 PolarHBondContact N-ND2 3.45Å; V453-N494 VanDerWaalsContact CA-OD1 3.3Å; V453-N494 WeakPolarHBondContact CA-OD1 3.38Å; V453-N494 VanDerWaalsContact CB-OD1 3.28Å; V453-N494 WeakPolarHBondContact CB-OD1 3.45Å; L454-N494 PolarHBondContact N-OD1 2.96Å; L454-N494 PolarHBondContact O-ND2 3.49Å; N494-N498 VanDerWaalsContact O-CB 3.27Å; N494-N498 WeakPolarHBondContact O-CB 3.15Å; N494-N498 PolarHBondContact O-N 3.02Å; N494-N498 PolarHBondContact O-ND2 3.4Å
495	A	97.1	Very high	95.8	Very high	38 Å²	38	22.1 Å²	22.1	31%	0.314	13%	0.128	S	C	.	.	H	α-helix	trans	-66.6	-51.4	-179.7	0	0	0	0	0	111.9	T431 G493 F497 N498 E499	T431-A495 HydrophobicContact CG2-CB 3.73Å; T431-A495 WeakPolarHBondContact O-CB 3.19Å; T431-A495 PolarHBondContact O-N 2.83Å; T431-A495 VanDerWaalsContact O-N 3.08Å; G493-A495 PolarHBondContact O-N 2.81Å; A495-F497 VanDerWaalsContact C-N 3.33Å; A495-F497 PolarHBondContact O-N 2.92Å; A495-N498 PolarHBondContact O-N 3.47Å; A495-E499 PolarHBondContact O-N 2.9Å
496	G	96.6	Very high	95.4	Very high	13 Å²	13	28.4 Å²	28.4	13%	0.134	16%	0.162	C	C	.	.	H	α-helix	trans	-66.5	-33.1	179.7	0	0	0	0	0	113.1	G493	G493-G496 PolarHBondContact O-N 3.21Å
497	F	97.7	Very high	94.9	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.5	-45.8	171.5	-169.3	-93.3	0	0	0	112.1	L451 V453 V492 G493 A495 I500 M501 Y530 I563	L451-F497 HydrophobicContact CB-CE2 4.05Å; L451-F497 HydrophobicContact CB-CZ 4.34Å; L451-F497 HydrophobicContact CD1-CZ 4.16Å; L451-F497 HydrophobicContact CD2-CE2 4.3Å; L451-F497 HydrophobicContact CD2-CZ 4.42Å; V453-F497 HydrophobicContact CG1-CB 3.49Å; V453-F497 VanDerWaalsContact CG1-CB 3.49Å; V453-F497 HydrophobicContact CG1-CD1 3.65Å; V453-F497 HydrophobicContact CG1-CD2 3.75Å; V453-F497 HydrophobicContact CG1-CE1 4.27Å; V453-F497 HydrophobicContact CG1-CE2 4.36Å; V453-F497 HydrophobicContact CG1-CG 3.34Å; V492-F497 HydrophobicContact CG1-CB 3.92Å; V492-F497 HydrophobicContact CG1-CD2 4.04Å; V492-F497 HydrophobicContact CG1-CG 4.48Å; G493-F497 WeakPolarHBondContact O-CB 3.43Å; G493-F497 PolarHBondContact O-N 2.64Å; A495-F497 VanDerWaalsContact C-N 3.33Å; A495-F497 PolarHBondContact O-N 2.92Å; F497-I500 PolarHBondContact O-N 3.4Å; F497-M501 HydrophobicContact CD1-CB 4.05Å; F497-M501 HydrophobicContact CD1-CG 3.95Å; F497-M501 HydrophobicContact CE1-CB 3.85Å; F497-M501 HydrophobicContact CE1-CE 4.21Å; F497-M501 HydrophobicContact CE1-CG 3.55Å; F497-M501 HydrophobicContact CE2-CG 4.19Å; F497-M501 HydrophobicContact CG-CG 4.43Å; F497-M501 HydrophobicContact CZ-CB 4.48Å; F497-M501 HydrophobicContact CZ-CE 4.04Å; F497-M501 HydrophobicContact CZ-CG 3.69Å; F497-M501 HydrophobicContact CZ-SD 4.42Å; F497-M501 WeakPolarHBondContact O-CB 3.19Å; F497-M501 PolarHBondContact O-N 2.97Å; F497-Y530 HydrophobicContact CE1-CD1 4.32Å; F497-Y530 AromaticContact CE1-CE1 3.44Å; F497-Y530 HydrophobicContact CE1-CE1 3.44Å; F497-Y530 VanDerWaalsContact CE1-CE1 3.44Å; F497-Y530 HydrophobicContact CZ-CD1 4.21Å; F497-Y530 AromaticContact CZ-CE1 3.64Å; F497-Y530 HydrophobicContact CZ-CE1 3.64Å; F497-I563 HydrophobicContact CD2-CG2 4.26Å; F497-I563 HydrophobicContact CE2-CG2 4.31Å
498	N	97	Very high	94.3	Very high	25 Å²	25	35.9 Å²	35.9	13%	0.134	21%	0.21	C	C	.	.	H	α-helix	trans	-70.1	-30.5	179.1	-71.8	-21.7	0	0	0	112.8	C437 N494 A495 I500 M501 E502 K512 K529	C437-N498 PolarHBondContact O-ND2 3.18Å; C437-N498 PolarHBondContact O-OD1 2.86Å; C437-N498 PolarHBondContact SG-OD1 2.91Å; N494-N498 VanDerWaalsContact O-CB 3.27Å; N494-N498 WeakPolarHBondContact O-CB 3.15Å; N494-N498 PolarHBondContact O-N 3.02Å; N494-N498 PolarHBondContact O-ND2 3.4Å; A495-N498 PolarHBondContact O-N 3.47Å; N498-I500 PolarHBondContact O-N 3.38Å; N498-M501 PolarHBondContact O-N 3.28Å; N498-E502 HydrophobicContact CB-CB 4.45Å; N498-E502 HydrophobicContact CB-CG 4.26Å; N498-E502 WeakPolarHBondContact O-CA 3.34Å; N498-E502 WeakPolarHBondContact O-CB 3.45Å; N498-E502 PolarHBondContact O-N 3.12Å; N498-E502 PolarHBondContact OD1-OE1 3Å; N498-K512 PolarHBondContact ND2-NZ 2.67Å; N498-K529 WeakPolarHBondContact OD1-CE 3.23Å; N498-K529 PolarHBondContact OD1-NZ 3.26Å
499	E	96.1	Very high	93.8	Very high	157 Å²	157	42.7 Å²	42.7	73%	0.734	25%	0.247	S	C	*	.	H	α-helix	trans	-56	-32.4	173	-174.5	176.8	170.4	0	0	112.1	A495 A503	A495-E499 PolarHBondContact O-N 2.9Å; E499-A503 VanDerWaalsContact O-CB 3.28Å; E499-A503 WeakPolarHBondContact O-CB 3.14Å
500	I	95.9	Very high	93.5	Very high	14 Å²	14	44.7 Å²	44.7	7%	0.072	26%	0.259	C	S	.	.	H	α-helix	trans	-88.2	-54.6	174.6	-63.3	164	0	0	0	111.1	F497 N498 A503 A536 R537 F560 I563 Q564 A567	F497-I500 PolarHBondContact O-N 3.4Å; N498-I500 PolarHBondContact O-N 3.38Å; I500-A503 WeakPolarHBondContact O-CB 3.48Å; I500-A536 VanDerWaalsContact O-CA 3.31Å; I500-A536 WeakPolarHBondContact O-CA 3.39Å; I500-R537 PolarHBondContact O-N 2.81Å; I500-F560 HydrophobicContact CD1-CB 4.04Å; I500-F560 HydrophobicContact CD1-CD1 4.09Å; I500-F560 WeakPolarHBondContact CD1-O 3.36Å; I500-I563 HydrophobicContact CB-CG2 4.39Å; I500-I563 HydrophobicContact CD1-CB 3.79Å; I500-I563 HydrophobicContact CD1-CG2 3.66Å; I500-I563 HydrophobicContact CG2-CG2 4.13Å; I500-Q564 HydrophobicContact CG2-CB 4.28Å; I500-A567 HydrophobicContact CG2-CB 3.86Å
501	M	95.9	Very high	93.2	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-82.9	-12.9	-165.5	-70.8	-76.1	-69.2	0	0	114.3	F497 N498 K529 Y530 K533 F535 A536 A567	F497-M501 HydrophobicContact CD1-CB 4.05Å; F497-M501 HydrophobicContact CD1-CG 3.95Å; F497-M501 HydrophobicContact CE1-CB 3.85Å; F497-M501 HydrophobicContact CE1-CE 4.21Å; F497-M501 HydrophobicContact CE1-CG 3.55Å; F497-M501 HydrophobicContact CE2-CG 4.19Å; F497-M501 HydrophobicContact CG-CG 4.43Å; F497-M501 HydrophobicContact CZ-CB 4.48Å; F497-M501 HydrophobicContact CZ-CE 4.04Å; F497-M501 HydrophobicContact CZ-CG 3.69Å; F497-M501 HydrophobicContact CZ-SD 4.42Å; F497-M501 WeakPolarHBondContact O-CB 3.19Å; F497-M501 PolarHBondContact O-N 2.97Å; N498-M501 PolarHBondContact O-N 3.28Å; M501-K529 HydrophobicContact CE-CG 4.47Å; M501-K529 WeakPolarHBondContact CE-O 3.33Å; M501-Y530 HydrophobicContact CE-CD1 4.32Å; M501-K533 HydrophobicContact CE-CG 4.37Å; M501-F535 CarbonylContact O-C 3.53Å; M501-F535 WeakPolarHBondContact O-CB 3.32Å; M501-A536 PolarHBondContact O-N 2.85Å; M501-A536 HydrophobicContact SD-CB 4.25Å; M501-A567 HydrophobicContact SD-CB 3.55Å; M501-A567 VanDerWaalsContact SD-CB 3.55Å
502	E	95.7	Very high	93.2	Very high	25 Å²	25	50.6 Å²	50.6	12%	0.117	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	10.1	174.4	-57.8	-179.3	173.4	0	0	112	N498 C504 L505 K512 K529 F535	N498-E502 HydrophobicContact CB-CB 4.45Å; N498-E502 HydrophobicContact CB-CG 4.26Å; N498-E502 WeakPolarHBondContact O-CA 3.34Å; N498-E502 WeakPolarHBondContact O-CB 3.45Å; N498-E502 PolarHBondContact O-N 3.12Å; N498-E502 PolarHBondContact OD1-OE1 3Å; E502-C504 PolarHBondContact O-N 2.84Å; E502-L505 HydrophobicContact CB-CB 4.21Å; E502-L505 HydrophobicContact CB-CD2 4.33Å; E502-L505 WeakPolarHBondContact O-CB 3.49Å; E502-L505 PolarHBondContact O-N 3.41Å; E502-K512 VanDerWaalsContact OE1-CE 3.31Å; E502-K512 WeakPolarHBondContact OE1-CE 3.25Å; E502-K512 IonicContact OE1-NZ 3.55Å; E502-K512 PolarHBondContact OE1-NZ 3.11Å; E502-K512 IonicContact OE2-NZ 3.21Å; E502-K512 PolarHBondContact OE2-NZ 3.43Å; E502-K529 HydrophobicContact CG-CD 4.28Å; E502-K529 WeakPolarHBondContact OE1-CE 3.48Å; E502-K529 IonicContact OE1-NZ 2.7Å; E502-K529 PolarHBondContact OE1-NZ 3.3Å; E502-F535 CarbonylContact C-O 3.39Å
503	A	93.9	Very high	93.1	Very high	48 Å²	48	50.7 Å²	50.7	40%	0.397	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-32.2	-175.8	0	0	0	0	0	115.4	E499 I500 F535 R537	E499-A503 VanDerWaalsContact O-CB 3.28Å; E499-A503 WeakPolarHBondContact O-CB 3.14Å; I500-A503 WeakPolarHBondContact O-CB 3.48Å; A503-F535 PolarHBondContact N-O 2.81Å; A503-R537 HydrophobicContact CB-CB 3.72Å
504	C	93	Very high	93.1	Very high	39 Å²	39	54.6 Å²	54.6	26%	0.264	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	6.9	-178.7	-65	0	0	0	0	113.1	E502 N506 A507 E508 F535	E502-C504 PolarHBondContact O-N 2.84Å; C504-N506 VanDerWaalsContact C-N 3.32Å; C504-N506 PolarHBondContact O-N 3.25Å; C504-A507 WeakPolarHBondContact O-CA 3.41Å; C504-A507 WeakPolarHBondContact O-CB 2.91Å; C504-A507 PolarHBondContact O-N 3.33Å; C504-E508 PolarHBondContact O-N 3Å; C504-F535 WeakPolarHBondContact CB-O 3.21Å; C504-F535 PolarHBondContact N-O 2.94Å
505	L	91.8	Very high	93	Very high	12 Å²	12	57.8 Å²	57.8	6%	0.063	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-44.3	-175.1	-176.3	66	0	0	0	112.8	E502 A507 E508 N509 V510 K512 F525 F535	E502-L505 HydrophobicContact CB-CB 4.21Å; E502-L505 HydrophobicContact CB-CD2 4.33Å; E502-L505 WeakPolarHBondContact O-CB 3.49Å; E502-L505 PolarHBondContact O-N 3.41Å; L505-A507 VanDerWaalsContact C-N 3.3Å; L505-A507 PolarHBondContact O-N 2.92Å; L505-E508 PolarHBondContact O-N 3.06Å; L505-N509 PolarHBondContact O-N 2.97Å; L505-V510 HydrophobicContact CD1-CB 3.76Å; L505-V510 HydrophobicContact CD1-CG1 3.89Å; L505-V510 WeakPolarHBondContact CD1-O 3.45Å; L505-V510 WeakPolarHBondContact CG-O 3.1Å; L505-V510 PolarHBondContact O-N 2.8Å; L505-K512 HydrophobicContact CD2-CB 4.07Å; L505-F525 HydrophobicContact CD1-CE2 3.76Å; L505-F525 HydrophobicContact CD2-CE2 4.15Å; L505-F525 HydrophobicContact CD2-CZ 4.37Å; L505-F535 HydrophobicContact CB-CB 4.22Å; L505-F535 HydrophobicContact CD1-CB 4.24Å; L505-F535 HydrophobicContact CD1-CD1 3.73Å; L505-F535 HydrophobicContact CD1-CD2 3.86Å; L505-F535 HydrophobicContact CD1-CE1 4.02Å; L505-F535 HydrophobicContact CD1-CE2 4.12Å; L505-F535 HydrophobicContact CD1-CG 3.66Å; L505-F535 HydrophobicContact CD1-CZ 4.2Å
506	N	87.1	Confident	92.8	Very high	151 Å²	151	60.4 Å²	60.4	81%	0.807	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-28.8	176	-68	-19.4	0	0	0	113	C504 N509	C504-N506 VanDerWaalsContact C-N 3.32Å; C504-N506 PolarHBondContact O-N 3.25Å; N506-N509 PolarHBondContact O-N 3.21Å
507	A	84.9	Confident	92.8	Very high	75 Å²	75	60.9 Å²	60.9	62%	0.62	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-33.5	178.1	0	0	0	0	0	112	C504 L505 N509	C504-A507 WeakPolarHBondContact O-CA 3.41Å; C504-A507 WeakPolarHBondContact O-CB 2.91Å; C504-A507 PolarHBondContact O-N 3.33Å; L505-A507 VanDerWaalsContact C-N 3.3Å; L505-A507 PolarHBondContact O-N 2.92Å; A507-N509 PolarHBondContact O-N 3.02Å; A507-N509 PolarHBondContact O-ND2 3.37Å
508	E	83.7	Confident	92.7	Very high	82 Å²	82	64.9 Å²	64.9	38%	0.383	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-8.5	170.4	-74.7	-74.1	120.7	0	0	113	C504 L505 V510 R534 F535	C504-E508 PolarHBondContact O-N 3Å; L505-E508 PolarHBondContact O-N 3.06Å; E508-V510 HydrophobicContact CB-CG2 4.15Å; E508-V510 PolarHBondContact O-N 2.91Å; E508-R534 IonicContact OE2-CZ 2.68Å; E508-R534 IonicContact OE2-NE 2.77Å; E508-R534 PolarHBondContact OE2-NE 3.21Å; E508-R534 IonicContact OE2-NH2 3.37Å; E508-R534 PolarHBondContact OE2-NH2 2.98Å; E508-F535 HydrophobicContact CB-CD1 4.41Å; E508-F535 HydrophobicContact CG-CD1 4.32Å
509	N	85.3	Confident	92.5	Very high	143 Å²	143	68 Å²	68	77%	0.765	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	25.8	-175.2	-62.7	-97.8	0	0	0	113.9	L505 N506 A507	L505-N509 PolarHBondContact O-N 2.97Å; N506-N509 PolarHBondContact O-N 3.21Å; A507-N509 PolarHBondContact O-N 3.02Å; A507-N509 PolarHBondContact O-ND2 3.37Å
510	V	90	Very high	92.5	Very high	43 Å²	43	65.8 Å²	65.8	26%	0.261	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-91.4	126	179.4	173.7	0	0	0	0	109.9	L505 E508 F525 F535	L505-V510 HydrophobicContact CD1-CB 3.76Å; L505-V510 HydrophobicContact CD1-CG1 3.89Å; L505-V510 WeakPolarHBondContact CD1-O 3.45Å; L505-V510 WeakPolarHBondContact CG-O 3.1Å; L505-V510 PolarHBondContact O-N 2.8Å; E508-V510 HydrophobicContact CB-CG2 4.15Å; E508-V510 PolarHBondContact O-N 2.91Å; V510-F525 HydrophobicContact CG1-CD2 4.26Å; V510-F535 HydrophobicContact CB-CE1 4.03Å; V510-F535 HydrophobicContact CB-CZ 4.46Å; V510-F535 HydrophobicContact CG1-CE1 4.02Å; V510-F535 HydrophobicContact CG1-CZ 3.94Å; V510-F535 HydrophobicContact CG2-CE1 3.97Å
511	V	89.4	Confident	92.5	Very high	129 Å²	129	68.1 Å²	68.1	78%	0.782	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-79.8	126	177.2	-178.8	0	0	0	0	109.4
512	K	94.6	Very high	92.5	Very high	60 Å²	60	68.2 Å²	68.2	26%	0.261	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-62.2	133.4	173.3	-166.9	164.7	-175.9	163.9	0	110.2	C437 D438 N498 E502 L505 F525	C437-K512 WeakPolarHBondContact O-CE 3.27Å; C437-K512 PolarHBondContact O-NZ 3.3Å; D438-K512 VanDerWaalsContact C-CE 3.49Å; D438-K512 WeakPolarHBondContact O-CE 3.42Å; D438-K512 VanDerWaalsContact O-CG 3.32Å; D438-K512 WeakPolarHBondContact O-CG 3.47Å; N498-K512 PolarHBondContact ND2-NZ 2.67Å; E502-K512 VanDerWaalsContact OE1-CE 3.31Å; E502-K512 WeakPolarHBondContact OE1-CE 3.25Å; E502-K512 IonicContact OE1-NZ 3.55Å; E502-K512 PolarHBondContact OE1-NZ 3.11Å; E502-K512 IonicContact OE2-NZ 3.21Å; E502-K512 PolarHBondContact OE2-NZ 3.43Å; L505-K512 HydrophobicContact CD2-CB 4.07Å; K512-F525 HydrophobicContact CB-CE2 4.38Å; K512-F525 HydrophobicContact CB-CZ 4.46Å; K512-F525 HydrophobicContact CD-CZ 4.31Å; K512-F525 HydrophobicContact CG-CE1 4.32Å; K512-F525 HydrophobicContact CG-CE2 4.19Å; K512-F525 HydrophobicContact CG-CZ 3.81Å
513	P	96.6	Very high	92.6	Very high	8 Å²	8	70.5 Å²	70.5	5%	0.052	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-61.5	156.5	175.2	25.5	-33.6	0	0	0	111	D438 C439 S517 T521 R522 F525	D438-P513 WeakPolarHBondContact O-CG 3.46Å; C439-P513 CarbonylContact C-O 3.37Å; C439-P513 VanDerWaalsContact CA-O 3.3Å; C439-P513 WeakPolarHBondContact CA-O 3.36Å; C439-P513 HydrophobicContact CB-CG 4.43Å; P513-S517 WeakPolarHBondContact CA-OG 3.28Å; P513-T521 HydrophobicContact CB-CG2 4.45Å; P513-R522 HydrophobicContact CB-CG 4.01Å; P513-R522 HydrophobicContact CG-CG 4.49Å; P513-F525 VanDerWaalsContact CD-CD2 3.44Å; P513-F525 HydrophobicContact CG-CB 3.93Å; P513-F525 HydrophobicContact CG-CD1 3.77Å; P513-F525 HydrophobicContact CG-CD2 4.39Å; P513-F525 HydrophobicContact CG-CE1 4.41Å; P513-F525 HydrophobicContact CG-CG 3.77Å
514	N	95.8	Very high	92.7	Very high	82 Å²	82	72 Å²	72	44%	0.439	41%	0.411	S	S	.	.			trans	-121.5	176.1	178.4	71.3	68.9	0	0	0	110.2	C439 A516 S517	C439-N514 CarbonylContact O-C 3.36Å; C439-N514 VanDerWaalsContact O-CA 3.31Å; C439-N514 WeakPolarHBondContact O-CA 3.03Å; N514-A516 PolarHBondContact O-N 3.02Å; N514-A516 VanDerWaalsContact O-N 3.14Å; N514-A516 WeakPolarHBondContact OD1-CA 3.37Å; N514-A516 WeakPolarHBondContact OD1-CB 3.36Å; N514-A516 PolarHBondContact OD1-N 3.31Å; N514-S517 PolarHBondContact N-OG 3.28Å; N514-S517 PolarHBondContact ND2-OG 3.45Å; N514-S517 VanDerWaalsContact O-CB 3.27Å; N514-S517 WeakPolarHBondContact O-CB 3.35Å; N514-S517 PolarHBondContact O-N 3.38Å; N514-S517 PolarHBondContact O-OG 3.48Å; N514-S517 PolarHBondContact OD1-N 3.12Å
515	P	95	Very high	93	Very high	68 Å²	68	70.6 Å²	70.6	44%	0.442	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-18	-176.5	-24.1	37	0	0	0	114.8	C439 A441 R522	C439-P515 WeakPolarHBondContact O-CD 3.45Å; A441-P515 HydrophobicContact CB-CB 4.14Å; A441-P515 HydrophobicContact CB-CG 3.9Å; P515-R522 PolarHBondContact O-NH2 3.29Å
516	A	93.4	Very high	93.3	Very high	94 Å²	94	70 Å²	70	78%	0.777	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-1.4	173	0	0	0	0	0	113.5	N514	N514-A516 PolarHBondContact O-N 3.02Å; N514-A516 VanDerWaalsContact O-N 3.14Å; N514-A516 WeakPolarHBondContact OD1-CA 3.37Å; N514-A516 WeakPolarHBondContact OD1-CB 3.36Å; N514-A516 PolarHBondContact OD1-N 3.31Å
517	S	95.6	Very high	93.8	Very high	23 Å²	23	64.8 Å²	64.8	16%	0.161	37%	0.371	C	S	.	.	S	Bend	trans	-66.3	141.1	170.1	-64.5	0	0	0	0	110.7	P513 N514 R522	P513-S517 WeakPolarHBondContact CA-OG 3.28Å; N514-S517 PolarHBondContact N-OG 3.28Å; N514-S517 PolarHBondContact ND2-OG 3.45Å; N514-S517 VanDerWaalsContact O-CB 3.27Å; N514-S517 WeakPolarHBondContact O-CB 3.35Å; N514-S517 PolarHBondContact O-N 3.38Å; N514-S517 PolarHBondContact O-OG 3.48Å; N514-S517 PolarHBondContact OD1-N 3.12Å; S517-R522 PolarHBondContact O-NE 2.99Å
518	D	95.4	Very high	94.3	Very high	84 Å²	84	62 Å²	62	45%	0.449	35%	0.346	S	S	.	.			trans	-69.4	168.5	178.1	69.6	92.3	0	0	0	112.9	Q520 T521 R522	D518-Q520 VanDerWaalsContact C-N 3.34Å; D518-Q520 PolarHBondContact O-N 2.96Å; D518-Q520 WeakPolarHBondContact OD1-CA 3.43Å; D518-Q520 VanDerWaalsContact OD1-CB 3.31Å; D518-Q520 WeakPolarHBondContact OD1-CB 3.49Å; D518-Q520 PolarHBondContact OD1-N 3.4Å; D518-T521 PolarHBondContact OD1-N 3.28Å; D518-T521 VanDerWaalsContact OD2-CB 3.25Å; D518-T521 WeakPolarHBondContact OD2-CB 3.5Å; D518-T521 PolarHBondContact OD2-OG1 3.32Å; D518-R522 VanDerWaalsContact O-CG 3.27Å; D518-R522 WeakPolarHBondContact O-CG 3.23Å; D518-R522 PolarHBondContact O-N 3.44Å; D518-R522 VanDerWaalsContact O-N 3.07Å
519	M	94.6	Very high	94.9	Very high	91 Å²	91	58 Å²	58	45%	0.448	33%	0.328	S	S	.	.	H	α-helix	trans	-68.6	-26.7	-176.2	-68.2	-59.1	-68	0	0	114.2	E458 I462 K523	E458-M519 HydrophobicContact CB-CE 4.43Å; E458-M519 HydrophobicContact CB-SD 4.08Å; I462-M519 HydrophobicContact CD1-CE 3.77Å; I462-M519 HydrophobicContact CG1-CE 3.81Å; M519-K523 WeakPolarHBondContact O-CB 3.35Å; M519-K523 PolarHBondContact O-N 2.81Å
520	Q	94.2	Very high	95.5	Very high	109 Å²	109	51.5 Å²	51.5	51%	0.509	29%	0.293	S	S	.	.	H	α-helix	trans	-74.7	-49.4	176.6	-170.6	64.5	50.7	0	0	110	D518 R522 K523 D524	D518-Q520 VanDerWaalsContact C-N 3.34Å; D518-Q520 PolarHBondContact O-N 2.96Å; D518-Q520 WeakPolarHBondContact OD1-CA 3.43Å; D518-Q520 VanDerWaalsContact OD1-CB 3.31Å; D518-Q520 WeakPolarHBondContact OD1-CB 3.49Å; D518-Q520 PolarHBondContact OD1-N 3.4Å; Q520-R522 VanDerWaalsContact C-N 3.25Å; Q520-R522 PolarHBondContact O-N 2.96Å; Q520-K523 WeakPolarHBondContact O-CA 3.35Å; Q520-K523 PolarHBondContact O-N 3.08Å; Q520-D524 PolarHBondContact NE2-OD1 3.34Å; Q520-D524 VanDerWaalsContact O-CG 3.27Å; Q520-D524 PolarHBondContact O-N 3.04Å
521	T	95.9	Very high	95.7	Very high	64 Å²	64	52.3 Å²	52.3	39%	0.393	30%	0.295	S	S	.	.	H	α-helix	trans	-55.2	-41.2	175.1	-61.4	0	0	0	0	111.8	P513 D518 F525	P513-T521 HydrophobicContact CB-CG2 4.45Å; D518-T521 PolarHBondContact OD1-N 3.28Å; D518-T521 VanDerWaalsContact OD2-CB 3.25Å; D518-T521 WeakPolarHBondContact OD2-CB 3.5Å; D518-T521 PolarHBondContact OD2-OG1 3.32Å; T521-F525 WeakPolarHBondContact O-CB 3.36Å; T521-F525 PolarHBondContact O-N 3Å
522	R	97.8	Very high	95.9	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-65.8	-42.8	173.8	-70.1	167.9	179.9	-137.7	24.2	112.4	E458 I462 P513 P515 S517 D518 Q520 I526	E458-R522 IonicContact OE1-NH2 3.58Å; E458-R522 PolarHBondContact OE1-NH2 3.09Å; E458-R522 IonicContact OE2-CZ 2.71Å; E458-R522 IonicContact OE2-NH1 3.17Å; E458-R522 PolarHBondContact OE2-NH1 2.97Å; E458-R522 IonicContact OE2-NH2 3.21Å; E458-R522 PolarHBondContact OE2-NH2 3Å; I462-R522 HydrophobicContact CD1-CB 3.68Å; P513-R522 HydrophobicContact CB-CG 4.01Å; P513-R522 HydrophobicContact CG-CG 4.49Å; P515-R522 PolarHBondContact O-NH2 3.29Å; S517-R522 PolarHBondContact O-NE 2.99Å; D518-R522 VanDerWaalsContact O-CG 3.27Å; D518-R522 WeakPolarHBondContact O-CG 3.23Å; D518-R522 PolarHBondContact O-N 3.44Å; D518-R522 VanDerWaalsContact O-N 3.07Å; Q520-R522 VanDerWaalsContact C-N 3.25Å; Q520-R522 PolarHBondContact O-N 2.96Å; R522-I526 WeakPolarHBondContact O-CB 3.45Å; R522-I526 VanDerWaalsContact O-CG1 3.27Å; R522-I526 WeakPolarHBondContact O-CG1 3.26Å; R522-I526 PolarHBondContact O-N 3.44Å
523	K	97.1	Very high	95.9	Very high	73 Å²	73	49.9 Å²	49.9	32%	0.317	28%	0.276	S	S	.	.	H	α-helix	trans	-64.4	-46.8	-179.7	-179.6	164.7	179.4	167.2	0	111.7	I462 E465 M519 Q520 F525 I526 T527	I462-K523 HydrophobicContact CD1-CB 4.21Å; I462-K523 HydrophobicContact CG2-CB 4.22Å; I462-K523 HydrophobicContact CG2-CG 4.12Å; E465-K523 IonicContact OE2-NZ 2.84Å; E465-K523 PolarHBondContact OE2-NZ 3.47Å; M519-K523 WeakPolarHBondContact O-CB 3.35Å; M519-K523 PolarHBondContact O-N 2.81Å; Q520-K523 WeakPolarHBondContact O-CA 3.35Å; Q520-K523 PolarHBondContact O-N 3.08Å; K523-F525 VanDerWaalsContact C-N 3.33Å; K523-F525 PolarHBondContact O-N 3.18Å; K523-I526 PolarHBondContact O-N 3.16Å; K523-T527 WeakPolarHBondContact O-CB 3.46Å; K523-T527 PolarHBondContact O-N 3.46Å; K523-T527 PolarHBondContact O-OG1 3.17Å; K523-T527 VanDerWaalsContact O-OG1 3.05Å
524	D	96.5	Very high	95.7	Very high	81 Å²	81	54.4 Å²	54.4	43%	0.433	29%	0.292	S	S	.	.	H	α-helix	trans	-61.9	-41.7	179.4	-61.8	-21.2	0	0	0	111.3	Q520 S528	Q520-D524 PolarHBondContact NE2-OD1 3.34Å; Q520-D524 VanDerWaalsContact O-CG 3.27Å; Q520-D524 PolarHBondContact O-N 3.04Å; D524-S528 WeakPolarHBondContact O-CB 3.09Å; D524-S528 PolarHBondContact O-N 3.08Å; D524-S528 PolarHBondContact O-OG 3.47Å
525	F	97.8	Very high	95.7	Very high	9 Å²	9	50.6 Å²	50.6	4%	0.039	27%	0.271	C	S	.	.	H	α-helix	trans	-63.8	-48.2	174.5	-179.6	-92	0	0	0	112.5	D438 L505 V510 K512 P513 T521 K523 S528 K529 F535	D438-F525 HydrophobicContact CB-CD1 4.43Å; D438-F525 HydrophobicContact CB-CE1 4.25Å; L505-F525 HydrophobicContact CD1-CE2 3.76Å; L505-F525 HydrophobicContact CD2-CE2 4.15Å; L505-F525 HydrophobicContact CD2-CZ 4.37Å; V510-F525 HydrophobicContact CG1-CD2 4.26Å; K512-F525 HydrophobicContact CB-CE2 4.38Å; K512-F525 HydrophobicContact CB-CZ 4.46Å; K512-F525 HydrophobicContact CD-CZ 4.31Å; K512-F525 HydrophobicContact CG-CE1 4.32Å; K512-F525 HydrophobicContact CG-CE2 4.19Å; K512-F525 HydrophobicContact CG-CZ 3.81Å; P513-F525 VanDerWaalsContact CD-CD2 3.44Å; P513-F525 HydrophobicContact CG-CB 3.93Å; P513-F525 HydrophobicContact CG-CD1 3.77Å; P513-F525 HydrophobicContact CG-CD2 4.39Å; P513-F525 HydrophobicContact CG-CE1 4.41Å; P513-F525 HydrophobicContact CG-CG 3.77Å; T521-F525 WeakPolarHBondContact O-CB 3.36Å; T521-F525 PolarHBondContact O-N 3Å; K523-F525 VanDerWaalsContact C-N 3.33Å; K523-F525 PolarHBondContact O-N 3.18Å; F525-S528 PolarHBondContact O-N 3.3Å; F525-K529 HydrophobicContact CE1-CD 3.85Å; F525-K529 HydrophobicContact CZ-CD 4.35Å; F525-K529 VanDerWaalsContact O-CB 3.28Å; F525-K529 WeakPolarHBondContact O-CB 3.44Å; F525-K529 PolarHBondContact O-N 3.14Å; F525-F535 AromaticContact CD2-CE2 3.76Å; F525-F535 HydrophobicContact CD2-CE2 3.76Å; F525-F535 HydrophobicContact CD2-CZ 4.13Å; F525-F535 HydrophobicContact CE2-CD2 4.15Å; F525-F535 AromaticContact CE2-CE2 3.64Å; F525-F535 HydrophobicContact CE2-CE2 3.64Å; F525-F535 HydrophobicContact CE2-CZ 4.28Å; F525-F535 HydrophobicContact CG-CE2 4.4Å; F525-F535 HydrophobicContact CZ-CD2 4.41Å; F525-F535 HydrophobicContact CZ-CE2 4.18Å
526	I	98.1	Very high	95.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.9	-42.6	-179.5	-73	168.2	0	0	0	110.5	D438 C459 I462 L466 R522 K523 K529 Y530	D438-I526 HydrophobicContact CB-CD1 4.15Å; D438-I526 HydrophobicContact CB-CG1 3.91Å; C459-I526 HydrophobicContact CB-CD1 3.83Å; I462-I526 HydrophobicContact CB-CD1 4.1Å; I462-I526 HydrophobicContact CD1-CD1 3.88Å; I462-I526 HydrophobicContact CG2-CB 4.02Å; I462-I526 HydrophobicContact CG2-CD1 4.08Å; I462-I526 HydrophobicContact CG2-CG2 3.7Å; L466-I526 HydrophobicContact CD1-CG2 3.98Å; L466-I526 HydrophobicContact CD2-CG2 4.44Å; R522-I526 WeakPolarHBondContact O-CB 3.45Å; R522-I526 VanDerWaalsContact O-CG1 3.27Å; R522-I526 WeakPolarHBondContact O-CG1 3.26Å; R522-I526 PolarHBondContact O-N 3.44Å; K523-I526 PolarHBondContact O-N 3.16Å; I526-K529 PolarHBondContact O-N 3.39Å; I526-Y530 HydrophobicContact CG2-CD2 3.84Å; I526-Y530 HydrophobicContact CG2-CE2 4.19Å; I526-Y530 VanDerWaalsContact O-CD2 3.3Å; I526-Y530 WeakPolarHBondContact O-CD2 3.32Å; I526-Y530 PolarHBondContact O-N 2.95Å
527	T	97.4	Very high	95.2	Very high	40 Å²	40	50 Å²	50	25%	0.245	24%	0.241	C	C	.	.	H	α-helix	trans	-58.9	-49.3	173.2	-64.3	0	0	0	0	111.5	K523 K529 I531 E532	K523-T527 WeakPolarHBondContact O-CB 3.46Å; K523-T527 PolarHBondContact O-N 3.46Å; K523-T527 PolarHBondContact O-OG1 3.17Å; K523-T527 VanDerWaalsContact O-OG1 3.05Å; T527-K529 VanDerWaalsContact C-N 3.28Å; T527-K529 PolarHBondContact O-N 3.19Å; T527-I531 HydrophobicContact CG2-CD1 4.43Å; T527-I531 WeakPolarHBondContact O-CB 3.47Å; T527-I531 PolarHBondContact O-N 2.89Å; T527-E532 PolarHBondContact O-N 3.1Å
528	S	96.6	Very high	94.6	Very high	16 Å²	16	55 Å²	55	11%	0.112	26%	0.26	C	S	.	.	H	α-helix	trans	-59.2	-37.4	176.2	-57.8	0	0	0	0	112.7	D524 F525 E532 K533 R534	D524-S528 WeakPolarHBondContact O-CB 3.09Å; D524-S528 PolarHBondContact O-N 3.08Å; D524-S528 PolarHBondContact O-OG 3.47Å; F525-S528 PolarHBondContact O-N 3.3Å; S528-E532 WeakPolarHBondContact O-CB 3.36Å; S528-K533 PolarHBondContact O-N 3.26Å; S528-R534 VanDerWaalsContact O-CB 3.26Å; S528-R534 WeakPolarHBondContact O-CB 3.3Å; S528-R534 PolarHBondContact O-N 3.29Å
529	K	96.6	Very high	93.6	Very high	0 Å²	0	59 Å²	59	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-73.9	-51	-177.6	-178.5	173.4	172.7	-179.6	0	112.7	C437 D438 N498 M501 E502 F525 I526 T527 K533 F535	C437-K529 PolarHBondContact O-NZ 3.47Å; C437-K529 VanDerWaalsContact O-NZ 3.1Å; D438-K529 WeakPolarHBondContact OD1-CE 3.47Å; D438-K529 IonicContact OD1-NZ 3.98Å; D438-K529 PolarHBondContact OD1-NZ 3.29Å; N498-K529 WeakPolarHBondContact OD1-CE 3.23Å; N498-K529 PolarHBondContact OD1-NZ 3.26Å; M501-K529 HydrophobicContact CE-CG 4.47Å; M501-K529 WeakPolarHBondContact CE-O 3.33Å; E502-K529 HydrophobicContact CG-CD 4.28Å; E502-K529 WeakPolarHBondContact OE1-CE 3.48Å; E502-K529 IonicContact OE1-NZ 2.7Å; E502-K529 PolarHBondContact OE1-NZ 3.3Å; F525-K529 HydrophobicContact CE1-CD 3.85Å; F525-K529 HydrophobicContact CZ-CD 4.35Å; F525-K529 VanDerWaalsContact O-CB 3.28Å; F525-K529 WeakPolarHBondContact O-CB 3.44Å; F525-K529 PolarHBondContact O-N 3.14Å; I526-K529 PolarHBondContact O-N 3.39Å; T527-K529 VanDerWaalsContact C-N 3.28Å; T527-K529 PolarHBondContact O-N 3.19Å; K529-K533 WeakPolarHBondContact O-CA 3.36Å; K529-F535 HydrophobicContact CB-CD2 4.13Å; K529-F535 HydrophobicContact CB-CE2 4.12Å
530	Y	96.8	Very high	91.8	Very high	5 Å²	5	59 Å²	59	2%	0.02	29%	0.292	C	S	.	.	H	α-helix	trans	-96.5	-33.3	-169.7	-63.8	-82.2	0	0	0	114.5	D438 L451 H463 L466 F497 M501 I526	D438-Y530 WeakPolarHBondContact OD1-CE2 3.42Å; D438-Y530 VanDerWaalsContact OD1-CZ 3.32Å; D438-Y530 PolarHBondContact OD1-OH 3.24Å; L451-Y530 HydrophobicContact CD1-CD1 3.6Å; L451-Y530 HydrophobicContact CD1-CE1 3.56Å; H463-Y530 AromaticContact CE1-CD2 3.84Å; H463-Y530 AromaticContact CE1-CE1 3.89Å; H463-Y530 AromaticContact CE1-CE2 3.33Å; H463-Y530 WeakPolarHBondContact CE1-CE2 3.47Å; H463-Y530 AromaticContact CE1-CZ 3.37Å; H463-Y530 AromaticContact NE2-CD2 3.82Å; H463-Y530 AromaticContact NE2-CE2 3.23Å; H463-Y530 WeakPolarHBondContact NE2-CE2 3.49Å; H463-Y530 AromaticContact NE2-CZ 3.69Å; L466-Y530 HydrophobicContact CD1-CD2 4.49Å; L466-Y530 HydrophobicContact CD1-CG 4.5Å; F497-Y530 HydrophobicContact CE1-CD1 4.32Å; F497-Y530 AromaticContact CE1-CE1 3.44Å; F497-Y530 HydrophobicContact CE1-CE1 3.44Å; F497-Y530 VanDerWaalsContact CE1-CE1 3.44Å; F497-Y530 HydrophobicContact CZ-CD1 4.21Å; F497-Y530 AromaticContact CZ-CE1 3.64Å; F497-Y530 HydrophobicContact CZ-CE1 3.64Å; M501-Y530 HydrophobicContact CE-CD1 4.32Å; I526-Y530 HydrophobicContact CG2-CD2 3.84Å; I526-Y530 HydrophobicContact CG2-CE2 4.19Å; I526-Y530 VanDerWaalsContact O-CD2 3.3Å; I526-Y530 WeakPolarHBondContact O-CD2 3.32Å; I526-Y530 PolarHBondContact O-N 2.95Å
531	I	94.8	Very high	90.5	Very high	61 Å²	61	56 Å²	56	31%	0.313	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-57.6	179.6	-60.5	-170	0	0	0	110.1	L466 Y470 T527 K533	L466-I531 HydrophobicContact CD2-CD1 3.9Å; L466-I531 HydrophobicContact CD2-CG1 4.32Å; Y470-I531 HydrophobicContact CD1-CG1 4.02Å; Y470-I531 HydrophobicContact CD2-CD1 3.9Å; Y470-I531 HydrophobicContact CD2-CG1 3.82Å; Y470-I531 HydrophobicContact CE1-CB 4.23Å; Y470-I531 HydrophobicContact CE1-CG1 3.93Å; Y470-I531 HydrophobicContact CE1-CG2 4.2Å; Y470-I531 HydrophobicContact CE2-CD1 3.63Å; Y470-I531 HydrophobicContact CE2-CG1 3.71Å; Y470-I531 HydrophobicContact CE2-CG2 4.44Å; Y470-I531 HydrophobicContact CG-CG1 3.99Å; T527-I531 HydrophobicContact CG2-CD1 4.43Å; T527-I531 WeakPolarHBondContact O-CB 3.47Å; T527-I531 PolarHBondContact O-N 2.89Å; I531-K533 VanDerWaalsContact C-N 3.27Å; I531-K533 PolarHBondContact O-N 3.43Å
532	E	93.2	Very high	89.9	Confident	105 Å²	105	58.4 Å²	58.4	49%	0.491	30%	0.297	S	S	.	.	S	Bend	trans	-75.3	-17.1	-177.9	-57	177.9	-172.7	0	0	113.3	T527 S528 R534	T527-E532 PolarHBondContact O-N 3.1Å; S528-E532 WeakPolarHBondContact O-CB 3.36Å; E532-R534 HydrophobicContact CB-CB 4.03Å; E532-R534 PolarHBondContact O-N 2.89Å; E532-R534 VanDerWaalsContact O-N 3.16Å
533	K	94.2	Very high	89.2	Confident	32 Å²	32	60.6 Å²	60.6	14%	0.139	32%	0.315	C	S	.	.			trans	49.6	39.2	-172.2	-64.2	166	174.4	-176.8	0	110.6	M501 S528 K529 I531 A536 Y566 A567	M501-K533 HydrophobicContact CE-CG 4.37Å; S528-K533 PolarHBondContact O-N 3.26Å; K529-K533 WeakPolarHBondContact O-CA 3.36Å; I531-K533 VanDerWaalsContact C-N 3.27Å; I531-K533 PolarHBondContact O-N 3.43Å; K533-A536 PolarHBondContact O-N 2.86Å; K533-Y566 VanDerWaalsContact NZ-CZ 3.34Å; K533-Y566 PolarHBondContact NZ-O 3.19Å; K533-A567 WeakPolarHBondContact CB-O 3.49Å
534	R	93.6	Very high	88.7	Confident	104 Å²	104	59.7 Å²	59.7	39%	0.392	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-46.3	-163	-179.8	174.4	169.3	-179.1	-4.5	112.6	E508 S528 E532 A536	E508-R534 IonicContact OE2-CZ 2.68Å; E508-R534 IonicContact OE2-NE 2.77Å; E508-R534 PolarHBondContact OE2-NE 3.21Å; E508-R534 IonicContact OE2-NH2 3.37Å; E508-R534 PolarHBondContact OE2-NH2 2.98Å; S528-R534 VanDerWaalsContact O-CB 3.26Å; S528-R534 WeakPolarHBondContact O-CB 3.3Å; S528-R534 PolarHBondContact O-N 3.29Å; E532-R534 HydrophobicContact CB-CB 4.03Å; E532-R534 PolarHBondContact O-N 2.89Å; E532-R534 VanDerWaalsContact O-N 3.16Å; R534-A536 VanDerWaalsContact C-N 3.28Å; R534-A536 PolarHBondContact O-N 2.89Å
535	F	94.7	Very high	88.3	Confident	1 Å²	1	57.7 Å²	57.7	0%	0.004	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-1.5	-176.2	-38.1	-53	0	0	0	113.1	M501 E502 A503 C504 L505 E508 V510 F525 K529	M501-F535 CarbonylContact O-C 3.53Å; M501-F535 WeakPolarHBondContact O-CB 3.32Å; E502-F535 CarbonylContact C-O 3.39Å; A503-F535 PolarHBondContact N-O 2.81Å; C504-F535 WeakPolarHBondContact CB-O 3.21Å; C504-F535 PolarHBondContact N-O 2.94Å; L505-F535 HydrophobicContact CB-CB 4.22Å; L505-F535 HydrophobicContact CD1-CB 4.24Å; L505-F535 HydrophobicContact CD1-CD1 3.73Å; L505-F535 HydrophobicContact CD1-CD2 3.86Å; L505-F535 HydrophobicContact CD1-CE1 4.02Å; L505-F535 HydrophobicContact CD1-CE2 4.12Å; L505-F535 HydrophobicContact CD1-CG 3.66Å; L505-F535 HydrophobicContact CD1-CZ 4.2Å; E508-F535 HydrophobicContact CB-CD1 4.41Å; E508-F535 HydrophobicContact CG-CD1 4.32Å; V510-F535 HydrophobicContact CB-CE1 4.03Å; V510-F535 HydrophobicContact CB-CZ 4.46Å; V510-F535 HydrophobicContact CG1-CE1 4.02Å; V510-F535 HydrophobicContact CG1-CZ 3.94Å; V510-F535 HydrophobicContact CG2-CE1 3.97Å; F525-F535 AromaticContact CD2-CE2 3.76Å; F525-F535 HydrophobicContact CD2-CE2 3.76Å; F525-F535 HydrophobicContact CD2-CZ 4.13Å; F525-F535 HydrophobicContact CE2-CD2 4.15Å; F525-F535 AromaticContact CE2-CE2 3.64Å; F525-F535 HydrophobicContact CE2-CE2 3.64Å; F525-F535 HydrophobicContact CE2-CZ 4.28Å; F525-F535 HydrophobicContact CG-CE2 4.4Å; F525-F535 HydrophobicContact CZ-CD2 4.41Å; F525-F535 HydrophobicContact CZ-CE2 4.18Å; K529-F535 HydrophobicContact CB-CD2 4.13Å; K529-F535 HydrophobicContact CB-CE2 4.12Å
536	A	92.9	Very high	87.9	Confident	4 Å²	4	60 Å²	60	3%	0.033	32%	0.324	C	S	.	.	S	Bend	trans	-73.3	145.4	178.8	0	0	0	0	0	111.8	I500 M501 K533 R534 K538 A567	I500-A536 VanDerWaalsContact O-CA 3.31Å; I500-A536 WeakPolarHBondContact O-CA 3.39Å; M501-A536 PolarHBondContact O-N 2.85Å; M501-A536 HydrophobicContact SD-CB 4.25Å; K533-A536 PolarHBondContact O-N 2.86Å; R534-A536 VanDerWaalsContact C-N 3.28Å; R534-A536 PolarHBondContact O-N 2.89Å; A536-K538 PolarHBondContact O-N 2.95Å; A536-A567 HydrophobicContact CB-CB 3.79Å
537	R	84.9	Confident	87.5	Confident	146 Å²	146	61 Å²	61	55%	0.551	33%	0.329	S	S	*	.			trans	-67.4	119.8	176.8	-161	173.9	-161.3	158.3	6.2	109.7	I500 A503 Q564	I500-R537 PolarHBondContact O-N 2.81Å; A503-R537 HydrophobicContact CB-CB 3.72Å; R537-Q564 PolarHBondContact O-NE2 3.49Å
538	K	82.6	Confident	87.1	Confident	127 Å²	127	63.8 Å²	63.8	55%	0.552	34%	0.34	S	S	*	.			trans	-97.5	98.6	172.9	-68.2	170.1	-174.9	172.4	0	108.7	A536 G540	A536-K538 PolarHBondContact O-N 2.95Å; K538-G540 PolarHBondContact O-N 2.91Å; K538-G540 VanDerWaalsContact O-N 3.07Å
539	R	74.6	Confident	86.9	Confident	168 Å²	168	65.8 Å²	65.8	63%	0.634	35%	0.351	S	S	*	.			trans	-70.4	103.4	167.7	-62.4	-175.3	177.4	-164.2	2.1	106.3	A541 E568	R539-A541 PolarHBondContact O-N 2.8Å; R539-E568 VanDerWaalsContact CB-OE1 3.24Å; R539-E568 WeakPolarHBondContact CB-OE1 3.34Å; R539-E568 PolarHBondContact N-OE1 2.9Å
540	G	57.7	Low	86.7	Confident	91 Å²	91	65.8 Å²	65.8	94%	0.938	35%	0.351	S	S	*	.			trans	-68.1	68.2	-174.2	0	0	0	0	0	113.6	K538	K538-G540 PolarHBondContact O-N 2.91Å; K538-G540 VanDerWaalsContact O-N 3.07Å
541	A	66.2	Low	86.6	Confident	48 Å²	48	65.7 Å²	65.7	40%	0.397	35%	0.351	S	S	.	.			trans	-111.6	155.5	-180	0	0	0	0	0	110.8	R539 A545	R539-A541 PolarHBondContact O-N 2.8Å; A541-A545 HydrophobicContact CB-CB 3.96Å
542	D	83.2	Confident	86.5	Confident	114 Å²	114	66.2 Å²	66.2	61%	0.61	35%	0.353	S	S	*	.			trans	-55.4	154	176.9	179.5	36.3	0	0	0	112.3	A544 A545 R546	D542-A544 PolarHBondContact O-N 2.84Å; D542-A544 WeakPolarHBondContact OD2-CB 3.09Å; D542-A544 PolarHBondContact OD2-N 3.06Å; D542-A545 WeakPolarHBondContact O-CB 3.2Å; D542-A545 PolarHBondContact O-N 2.92Å; D542-R546 PolarHBondContact O-N 3.38Å
543	A	84.4	Confident	86.6	Confident	47 Å²	47	61.4 Å²	61.4	39%	0.388	33%	0.33	S	S	.	.	H	α-helix	trans	-55.4	-40.8	177	0	0	0	0	0	111.5	A545 R546 L547	A543-A545 VanDerWaalsContact C-N 3.28Å; A543-A545 PolarHBondContact O-N 3.17Å; A543-R546 PolarHBondContact O-N 3.16Å; A543-L547 VanDerWaalsContact O-CB 3.22Å; A543-L547 WeakPolarHBondContact O-CB 3.3Å; A543-L547 PolarHBondContact O-N 3Å
544	A	86.4	Confident	86.6	Confident	55 Å²	55	60 Å²	60	46%	0.455	33%	0.325	S	S	.	.	H	α-helix	trans	-63.4	-32.3	175.7	0	0	0	0	0	113	D542 H548	D542-A544 PolarHBondContact O-N 2.84Å; D542-A544 WeakPolarHBondContact OD2-CB 3.09Å; D542-A544 PolarHBondContact OD2-N 3.06Å; A544-H548 WeakPolarHBondContact O-CB 3.34Å; A544-H548 PolarHBondContact O-N 2.92Å
545	A	87.8	Confident	86.6	Confident	39 Å²	39	59.3 Å²	59.3	32%	0.322	32%	0.324	S	S	.	.	H	α-helix	trans	-75.5	-37	177	0	0	0	0	0	112.5	A541 D542 A543 H548 T549	A541-A545 HydrophobicContact CB-CB 3.96Å; D542-A545 WeakPolarHBondContact O-CB 3.2Å; D542-A545 PolarHBondContact O-N 2.92Å; A543-A545 VanDerWaalsContact C-N 3.28Å; A543-A545 PolarHBondContact O-N 3.17Å; A545-H548 PolarHBondContact O-N 3.43Å; A545-T549 PolarHBondContact O-N 3.4Å; A545-T549 PolarHBondContact O-OG1 2.94Å
546	R	88.8	Confident	86.6	Confident	56 Å²	56	62.8 Å²	62.8	21%	0.211	35%	0.353	C	S	.	.	H	α-helix	trans	-66.4	-38.9	171.4	-67.7	-173.6	-71.1	144.6	3.4	111.5	D542 A543 T549 L550 E568 L570	D542-R546 PolarHBondContact O-N 3.38Å; A543-R546 PolarHBondContact O-N 3.16Å; R546-T549 CarbonylContact O-C 3.48Å; R546-T549 WeakPolarHBondContact O-CB 3.47Å; R546-T549 PolarHBondContact O-N 3.04Å; R546-L550 PolarHBondContact O-N 2.77Å; R546-E568 WeakPolarHBondContact CD-OE2 3.41Å; R546-E568 WeakPolarHBondContact CG-OE2 3.35Å; R546-E568 PolarHBondContact NH1-O 2.95Å; R546-L570 HydrophobicContact CB-CD1 4.26Å; R546-L570 HydrophobicContact CB-CD2 4.23Å
547	L	90.4	Very high	86.7	Confident	21 Å²	21	66.5 Å²	66.5	11%	0.11	37%	0.366	C	S	.	.	H	α-helix	trans	-68.4	-35.3	175.3	-171.4	64.8	0	0	0	112.8	A543 L550 C551 L570 E574 P575 I576	A543-L547 VanDerWaalsContact O-CB 3.22Å; A543-L547 WeakPolarHBondContact O-CB 3.3Å; A543-L547 PolarHBondContact O-N 3Å; L547-L550 HydrophobicContact CD1-CD2 4.39Å; L547-L550 WeakPolarHBondContact O-CB 3.45Å; L547-L550 PolarHBondContact O-N 3.11Å; L547-C551 PolarHBondContact O-N 3.39Å; L547-C551 VanDerWaalsContact O-N 3.11Å; L547-L570 HydrophobicContact CB-CD2 4.42Å; L547-L570 HydrophobicContact CD1-CD2 4.35Å; L547-E574 HydrophobicContact CD1-CB 3.94Å; L547-E574 HydrophobicContact CD1-CG 4.03Å; L547-E574 HydrophobicContact CD2-CG 4.25Å; L547-P575 WeakPolarHBondContact CD2-O 2.82Å; L547-I576 HydrophobicContact CD1-CG2 3.68Å; L547-I576 HydrophobicContact CG-CG2 4.15Å
548	H	89.7	Confident	87.3	Confident	99 Å²	99	62.1 Å²	62.1	46%	0.458	35%	0.354	S	S	.	.	H	α-helix	trans	-66.2	-41.9	167.7	-178.9	47.7	0	0	0	111.5	A544 A545 L550 C551 E552	A544-H548 WeakPolarHBondContact O-CB 3.34Å; A544-H548 PolarHBondContact O-N 2.92Å; A545-H548 PolarHBondContact O-N 3.43Å; H548-L550 VanDerWaalsContact C-N 3.32Å; H548-L550 PolarHBondContact O-N 3.49Å; H548-C551 WeakPolarHBondContact O-CB 3.47Å; H548-C551 PolarHBondContact O-N 2.59Å; H548-C551 VanDerWaalsContact O-N 3.11Å; H548-E552 IonicContact CE1-OE1 3.2Å; H548-E552 PolarHBondContact CE1-OE1 3.5Å; H548-E552 IonicContact ND1-OE1 2.75Å; H548-E552 PolarHBondContact O-N 2.69Å
549	T	91.3	Very high	88	Confident	59 Å²	59	56.5 Å²	56.5	36%	0.362	33%	0.33	S	S	.	.	H	α-helix	trans	-60.8	-39.9	175.1	-53.4	0	0	0	0	111.6	A545 R546 E552 A553 V565	A545-T549 PolarHBondContact O-N 3.4Å; A545-T549 PolarHBondContact O-OG1 2.94Å; R546-T549 CarbonylContact O-C 3.48Å; R546-T549 WeakPolarHBondContact O-CB 3.47Å; R546-T549 PolarHBondContact O-N 3.04Å; T549-E552 PolarHBondContact O-N 2.77Å; T549-A553 VanDerWaalsContact O-CB 3.27Å; T549-A553 WeakPolarHBondContact O-CB 3.47Å; T549-A553 PolarHBondContact O-N 3.22Å; T549-V565 HydrophobicContact CG2-CG2 3.7Å
550	L	93.4	Very high	89	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-58.6	-46.7	171.8	-178	59	0	0	0	111.7	R546 L547 H548 A553 V554 L562 V565 L570 L572 I576 A588 L607	R546-L550 PolarHBondContact O-N 2.77Å; L547-L550 HydrophobicContact CD1-CD2 4.39Å; L547-L550 WeakPolarHBondContact O-CB 3.45Å; L547-L550 PolarHBondContact O-N 3.11Å; H548-L550 VanDerWaalsContact C-N 3.32Å; H548-L550 PolarHBondContact O-N 3.49Å; L550-A553 PolarHBondContact O-N 3.49Å; L550-V554 WeakPolarHBondContact O-CG2 3.43Å; L550-V554 PolarHBondContact O-N 2.72Å; L550-V554 VanDerWaalsContact O-N 3.12Å; L550-L562 HydrophobicContact CD1-CD1 3.4Å; L550-V565 HydrophobicContact CB-CG1 4.2Å; L550-V565 HydrophobicContact CD1-CG1 4.45Å; L550-L570 HydrophobicContact CB-CD2 4.22Å; L550-L570 HydrophobicContact CD2-CD2 3.99Å; L550-L572 HydrophobicContact CD1-CD2 3.88Å; L550-I576 HydrophobicContact CD2-CG2 4.44Å; L550-A588 HydrophobicContact CD1-CB 4.04Å; L550-A588 HydrophobicContact CD2-CB 3.65Å; L550-A588 HydrophobicContact CG-CB 3.67Å; L550-L607 HydrophobicContact CD1-CD2 4.49Å
551	C	93.2	Very high	90.8	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.014	29%	0.285	C	S	.	.	H	α-helix	trans	-62.4	-42.2	178.3	-174.6	0	0	0	0	112.6	L547 H548 K555 I576	L547-C551 PolarHBondContact O-N 3.39Å; L547-C551 VanDerWaalsContact O-N 3.11Å; H548-C551 WeakPolarHBondContact O-CB 3.47Å; H548-C551 PolarHBondContact O-N 2.59Å; H548-C551 VanDerWaalsContact O-N 3.11Å; C551-K555 WeakPolarHBondContact O-CG 3.41Å; C551-K555 PolarHBondContact O-N 2.96Å; C551-K555 WeakPolarHBondContact SG-CE 3.26Å; C551-K555 PolarHBondContact SG-NZ 2.93Å; C551-K555 VanDerWaalsContact SG-NZ 3.44Å; C551-I576 HydrophobicContact CB-CB 4.31Å; C551-I576 HydrophobicContact CB-CD1 4.33Å; C551-I576 HydrophobicContact CB-CG2 4.21Å
552	E	93.1	Very high	92.2	Very high	73 Å²	73	47.6 Å²	47.6	34%	0.341	27%	0.266	S	S	.	.	H	α-helix	trans	-73.9	-35.6	177.5	-60.6	-44.8	124.9	0	0	112.4	H548 T549 V554 K555 A556	H548-E552 IonicContact CE1-OE1 3.2Å; H548-E552 PolarHBondContact CE1-OE1 3.5Å; H548-E552 IonicContact ND1-OE1 2.75Å; H548-E552 PolarHBondContact O-N 2.69Å; T549-E552 PolarHBondContact O-N 2.77Å; E552-V554 VanDerWaalsContact C-N 3.32Å; E552-V554 PolarHBondContact O-N 3.43Å; E552-K555 PolarHBondContact O-N 3.41Å; E552-K555 IonicContact OE1-NZ 2.77Å; E552-K555 PolarHBondContact OE1-NZ 3.49Å; E552-K555 VanDerWaalsContact OE2-CD 3.29Å; E552-K555 WeakPolarHBondContact OE2-CD 3.48Å; E552-K555 IonicContact OE2-NZ 2.72Å; E552-A556 VanDerWaalsContact O-CB 3.23Å; E552-A556 WeakPolarHBondContact O-CB 3.36Å; E552-A556 PolarHBondContact O-N 3.45Å
553	A	95.1	Very high	92.8	Very high	3 Å²	3	42.1 Å²	42.1	3%	0.025	24%	0.237	C	C	.	.	H	α-helix	trans	-59.5	-42.4	174.2	0	0	0	0	0	111.7	T549 L550 R557 D558 L562	T549-A553 VanDerWaalsContact O-CB 3.27Å; T549-A553 WeakPolarHBondContact O-CB 3.47Å; T549-A553 PolarHBondContact O-N 3.22Å; L550-A553 PolarHBondContact O-N 3.49Å; A553-R557 WeakPolarHBondContact O-CA 3.42Å; A553-R557 PolarHBondContact O-N 2.95Å; A553-D558 PolarHBondContact O-N 3.04Å; A553-L562 HydrophobicContact CB-CB 4.38Å
554	V	95.3	Very high	93.3	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.024	22%	0.224	C	C	.	.	H	α-helix	trans	-66.1	-41.7	175	173.2	0	0	0	0	112	L550 E552 R557 A588 L591 A592 I603 L607	L550-V554 WeakPolarHBondContact O-CG2 3.43Å; L550-V554 PolarHBondContact O-N 2.72Å; L550-V554 VanDerWaalsContact O-N 3.12Å; E552-V554 VanDerWaalsContact C-N 3.32Å; E552-V554 PolarHBondContact O-N 3.43Å; V554-R557 PolarHBondContact O-N 3.26Å; V554-A588 HydrophobicContact CG2-CB 4.23Å; V554-L591 HydrophobicContact CB-CD2 4Å; V554-L591 HydrophobicContact CB-CG 4.49Å; V554-L591 HydrophobicContact CG1-CB 4.23Å; V554-L591 HydrophobicContact CG1-CD2 3.81Å; V554-L591 HydrophobicContact CG1-CG 3.74Å; V554-A592 HydrophobicContact CG1-CB 3.72Å; V554-I603 HydrophobicContact CB-CG2 4.49Å; V554-I603 HydrophobicContact CG1-CG2 4.35Å; V554-I603 HydrophobicContact CG2-CG2 4.06Å; V554-L607 HydrophobicContact CG2-CD1 4.17Å
555	K	93.4	Very high	93.6	Very high	88 Å²	88	38.5 Å²	38.5	38%	0.383	20%	0.203	S	C	.	.	H	α-helix	trans	-65	-43.1	176.1	-71.5	164.2	-176.7	168.3	0	112.7	C551 E552 R557 L591 L595	C551-K555 WeakPolarHBondContact O-CG 3.41Å; C551-K555 PolarHBondContact O-N 2.96Å; C551-K555 WeakPolarHBondContact SG-CE 3.26Å; C551-K555 PolarHBondContact SG-NZ 2.93Å; C551-K555 VanDerWaalsContact SG-NZ 3.44Å; E552-K555 PolarHBondContact O-N 3.41Å; E552-K555 IonicContact OE1-NZ 2.77Å; E552-K555 PolarHBondContact OE1-NZ 3.49Å; E552-K555 VanDerWaalsContact OE2-CD 3.29Å; E552-K555 WeakPolarHBondContact OE2-CD 3.48Å; E552-K555 IonicContact OE2-NZ 2.72Å; K555-R557 VanDerWaalsContact C-N 3.27Å; K555-L591 HydrophobicContact CG-CD2 4.33Å; K555-L595 HydrophobicContact CB-CD1 4.48Å; K555-L595 HydrophobicContact CG-CD1 3.92Å
556	A	95.1	Very high	93.9	Very high	74 Å²	74	37.6 Å²	37.6	61%	0.612	19%	0.191	S	C	*	.	H	α-helix	trans	-77.1	-13.7	180	0	0	0	0	0	113.1	E552 D558	E552-A556 VanDerWaalsContact O-CB 3.23Å; E552-A556 WeakPolarHBondContact O-CB 3.36Å; E552-A556 PolarHBondContact O-N 3.45Å; A556-D558 VanDerWaalsContact C-N 3.26Å; A556-D558 HydrophobicContact CB-CB 4.32Å
557	R	95.1	Very high	94.2	Very high	82 Å²	82	35 Å²	35	31%	0.309	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	37.3	-173.9	-54	159.7	172.4	-169.4	-1.9	111.9	A553 V554 K555 I559 L595 D597 T599 I603	A553-R557 WeakPolarHBondContact O-CA 3.42Å; A553-R557 PolarHBondContact O-N 2.95Å; V554-R557 PolarHBondContact O-N 3.26Å; K555-R557 VanDerWaalsContact C-N 3.27Å; R557-I559 PolarHBondContact O-N 3.43Å; R557-L595 PolarHBondContact NH2-O 2.88Å; R557-D597 IonicContact CZ-OD1 3.99Å; R557-D597 IonicContact CZ-OD2 2.71Å; R557-D597 IonicContact NH1-OD1 3.32Å; R557-D597 PolarHBondContact NH1-OD1 3.48Å; R557-D597 VanDerWaalsContact NH1-OD1 3.17Å; R557-D597 IonicContact NH1-OD2 2.58Å; R557-D597 PolarHBondContact NH1-OD2 3.21Å; R557-D597 VanDerWaalsContact NH2-CG 3.26Å; R557-D597 IonicContact NH2-OD1 3.19Å; R557-D597 IonicContact NH2-OD2 3.32Å; R557-D597 PolarHBondContact NH2-OD2 3.46Å; R557-T599 PolarHBondContact NH1-OG1 3.18Å; R557-T599 VanDerWaalsContact NH1-OG1 3.08Å; R557-I603 HydrophobicContact CB-CG1 4.35Å
558	D	96.3	Very high	94.3	Very high	55 Å²	55	35.1 Å²	35.1	29%	0.294	18%	0.181	S	C	.	.			trans	-93.9	97.9	-178.3	-178.4	-3.4	0	0	0	110.4	A553 A556 F560 S561 L562	A553-D558 PolarHBondContact O-N 3.04Å; A556-D558 VanDerWaalsContact C-N 3.26Å; A556-D558 HydrophobicContact CB-CB 4.32Å; D558-F560 PolarHBondContact O-N 3.36Å; D558-F560 WeakPolarHBondContact OD1-CA 3.38Å; D558-F560 WeakPolarHBondContact OD1-CB 3.36Å; D558-F560 PolarHBondContact OD1-N 2.91Å; D558-S561 PolarHBondContact OD1-N 2.98Å; D558-S561 WeakPolarHBondContact OD2-CB 3.37Å; D558-S561 PolarHBondContact OD2-OG 3.13Å; D558-L562 WeakPolarHBondContact O-CB 3.47Å; D558-L562 PolarHBondContact O-N 3.05Å
559	I	96.8	Very high	94.2	Very high	8 Å²	8	32.8 Å²	32.8	4%	0.041	18%	0.184	C	C	.	.	H	α-helix	trans	-62.9	-28.3	175.9	-171.2	56	0	0	0	112.7	V492 R557 L562 I563 I603 F606	V492-I559 HydrophobicContact CG2-CG1 3.79Å; R557-I559 PolarHBondContact O-N 3.43Å; I559-L562 HydrophobicContact CD1-CD2 4.15Å; I559-L562 PolarHBondContact O-N 3.08Å; I559-I563 HydrophobicContact CD1-CD1 4.34Å; I559-I563 HydrophobicContact CD1-CG1 4.44Å; I559-I563 HydrophobicContact CG1-CD1 3.97Å; I559-I563 WeakPolarHBondContact O-CB 3.48Å; I559-I563 WeakPolarHBondContact O-CD1 3.45Å; I559-I563 WeakPolarHBondContact O-CG1 3.35Å; I559-I563 PolarHBondContact O-N 3.04Å; I559-I603 HydrophobicContact CB-CD1 4.21Å; I559-I603 HydrophobicContact CD1-CD1 4.45Å; I559-F606 HydrophobicContact CD1-CB 3.75Å; I559-F606 HydrophobicContact CD1-CD2 3.93Å; I559-F606 HydrophobicContact CD1-CG 3.84Å
560	F	96.9	Very high	94.2	Very high	80 Å²	80	31.1 Å²	31.1	35%	0.351	17%	0.173	S	C	.	.	H	α-helix	trans	-79	-41.2	-179.6	-63	-68.3	0	0	0	111.4	I500 D558 L562 I563 Q564	I500-F560 HydrophobicContact CD1-CB 4.04Å; I500-F560 HydrophobicContact CD1-CD1 4.09Å; I500-F560 WeakPolarHBondContact CD1-O 3.36Å; D558-F560 PolarHBondContact O-N 3.36Å; D558-F560 WeakPolarHBondContact OD1-CA 3.38Å; D558-F560 WeakPolarHBondContact OD1-CB 3.36Å; D558-F560 PolarHBondContact OD1-N 2.91Å; F560-L562 VanDerWaalsContact C-N 3.26Å; F560-L562 PolarHBondContact O-N 2.87Å; F560-I563 PolarHBondContact O-N 3.3Å; F560-Q564 VanDerWaalsContact O-CB 3.31Å; F560-Q564 WeakPolarHBondContact O-CB 3.15Å; F560-Q564 PolarHBondContact O-N 3.48Å
561	S	95.2	Very high	94	Very high	40 Å²	40	34.9 Å²	34.9	28%	0.28	19%	0.193	S	C	.	.	H	α-helix	trans	-62.7	-33.6	168.5	-71.4	0	0	0	0	112.4	D558 V565	D558-S561 PolarHBondContact OD1-N 2.98Å; D558-S561 WeakPolarHBondContact OD2-CB 3.37Å; D558-S561 PolarHBondContact OD2-OG 3.13Å; S561-V565 WeakPolarHBondContact O-CG2 3.26Å; S561-V565 PolarHBondContact O-N 3.28Å; S561-V565 VanDerWaalsContact O-N 3.1Å
562	L	95.6	Very high	94	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-67.3	-45.6	173.8	179.3	58.4	0	0	0	112.3	L550 A553 D558 I559 F560 Q564 V565 Y566 L572 I603 F606 L607	L550-L562 HydrophobicContact CD1-CD1 3.4Å; A553-L562 HydrophobicContact CB-CB 4.38Å; D558-L562 WeakPolarHBondContact O-CB 3.47Å; D558-L562 PolarHBondContact O-N 3.05Å; I559-L562 HydrophobicContact CD1-CD2 4.15Å; I559-L562 PolarHBondContact O-N 3.08Å; F560-L562 VanDerWaalsContact C-N 3.26Å; F560-L562 PolarHBondContact O-N 2.87Å; L562-Q564 VanDerWaalsContact C-N 3.33Å; L562-Q564 PolarHBondContact O-N 3.05Å; L562-V565 PolarHBondContact O-N 2.93Å; L562-Y566 PolarHBondContact O-N 3.04Å; L562-L572 HydrophobicContact CD1-CD2 4.03Å; L562-I603 HydrophobicContact CD2-CD1 4.19Å; L562-I603 HydrophobicContact CD2-CG2 4.15Å; L562-F606 HydrophobicContact CD1-CD1 4.32Å; L562-F606 HydrophobicContact CD2-CB 4.03Å; L562-F606 HydrophobicContact CD2-CD1 3.6Å; L562-F606 HydrophobicContact CD2-CE1 4.44Å; L562-F606 HydrophobicContact CD2-CG 4.06Å; L562-F606 HydrophobicContact CG-CD1 3.62Å; L562-F606 HydrophobicContact CG-CE1 3.97Å; L562-F606 HydrophobicContact CG-CG 4.42Å; L562-L607 HydrophobicContact CD1-CD2 3.88Å; L562-L607 HydrophobicContact CD2-CD2 4.49Å; L562-L607 HydrophobicContact CD2-CG 4.27Å
563	I	96	Very high	94	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-38.2	174.5	-69.5	163.2	0	0	0	110.9	V492 F497 I500 I559 F560 Y566 A567 F606	V492-I563 HydrophobicContact CB-CD1 4.39Å; V492-I563 HydrophobicContact CG1-CD1 3.69Å; V492-I563 HydrophobicContact CG2-CD1 3.74Å; F497-I563 HydrophobicContact CD2-CG2 4.26Å; F497-I563 HydrophobicContact CE2-CG2 4.31Å; I500-I563 HydrophobicContact CB-CG2 4.39Å; I500-I563 HydrophobicContact CD1-CB 3.79Å; I500-I563 HydrophobicContact CD1-CG2 3.66Å; I500-I563 HydrophobicContact CG2-CG2 4.13Å; I559-I563 HydrophobicContact CD1-CD1 4.34Å; I559-I563 HydrophobicContact CD1-CG1 4.44Å; I559-I563 HydrophobicContact CG1-CD1 3.97Å; I559-I563 WeakPolarHBondContact O-CB 3.48Å; I559-I563 WeakPolarHBondContact O-CD1 3.45Å; I559-I563 WeakPolarHBondContact O-CG1 3.35Å; I559-I563 PolarHBondContact O-N 3.04Å; F560-I563 PolarHBondContact O-N 3.3Å; I563-Y566 PolarHBondContact O-N 2.88Å; I563-A567 VanDerWaalsContact O-CB 3.26Å; I563-A567 WeakPolarHBondContact O-CB 3.21Å; I563-A567 PolarHBondContact O-N 3.39Å; I563-F606 HydrophobicContact CD1-CE2 4.28Å; I563-F606 HydrophobicContact CG1-CD2 4.21Å; I563-F606 HydrophobicContact CG1-CE1 4.46Å; I563-F606 HydrophobicContact CG1-CE2 3.55Å; I563-F606 HydrophobicContact CG1-CZ 3.7Å
564	Q	94.8	Very high	93.8	Very high	25 Å²	25	35.7 Å²	35.7	12%	0.117	20%	0.196	C	C	.	.	H	α-helix	trans	-59.3	-45.5	174.5	173.1	65	47.7	0	0	111.8	I500 R537 F560 L562 A567 E568	I500-Q564 HydrophobicContact CG2-CB 4.28Å; R537-Q564 PolarHBondContact O-NE2 3.49Å; F560-Q564 VanDerWaalsContact O-CB 3.31Å; F560-Q564 WeakPolarHBondContact O-CB 3.15Å; F560-Q564 PolarHBondContact O-N 3.48Å; L562-Q564 VanDerWaalsContact C-N 3.33Å; L562-Q564 PolarHBondContact O-N 3.05Å; Q564-A567 PolarHBondContact O-N 3.41Å; Q564-E568 PolarHBondContact NE2-OE1 3.29Å; Q564-E568 WeakPolarHBondContact O-CG 3.49Å; Q564-E568 PolarHBondContact O-N 3.12Å
565	V	93.4	Very high	93.7	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-68.5	-37	177.3	171.8	0	0	0	0	112.1	T549 L550 S561 L562 E568 G569 L570	T549-V565 HydrophobicContact CG2-CG2 3.7Å; L550-V565 HydrophobicContact CB-CG1 4.2Å; L550-V565 HydrophobicContact CD1-CG1 4.45Å; S561-V565 WeakPolarHBondContact O-CG2 3.26Å; S561-V565 PolarHBondContact O-N 3.28Å; S561-V565 VanDerWaalsContact O-N 3.1Å; L562-V565 PolarHBondContact O-N 2.93Å; V565-E568 PolarHBondContact O-N 3.49Å; V565-G569 PolarHBondContact O-N 2.64Å; V565-L570 HydrophobicContact CG1-CB 3.66Å; V565-L570 HydrophobicContact CG1-CD2 3.42Å; V565-L570 VanDerWaalsContact CG1-CD2 3.42Å; V565-L570 HydrophobicContact CG1-CG 4.18Å; V565-L570 PolarHBondContact O-N 3.19Å
566	Y	93.6	Very high	93.5	Very high	19 Å²	19	34.5 Å²	34.5	8%	0.075	20%	0.197	C	C	.	.	H	α-helix	trans	-63.5	-39.4	170.9	169	-103.7	0	0	0	112.3	L451 K533 L562 I563 E568 G569 L572 F606 N610	L451-Y566 HydrophobicContact CD2-CE1 4.28Å; K533-Y566 VanDerWaalsContact NZ-CZ 3.34Å; K533-Y566 PolarHBondContact NZ-O 3.19Å; L562-Y566 PolarHBondContact O-N 3.04Å; I563-Y566 PolarHBondContact O-N 2.88Å; Y566-E568 VanDerWaalsContact C-N 3.31Å; Y566-G569 PolarHBondContact O-N 3.32Å; Y566-L572 HydrophobicContact CD2-CD1 4.08Å; Y566-F606 AromaticContact CD1-CZ 3.96Å; Y566-F606 HydrophobicContact CD1-CZ 3.96Å; Y566-F606 HydrophobicContact CG-CE1 4.2Å; Y566-F606 AromaticContact CG-CZ 3.97Å; Y566-F606 HydrophobicContact CG-CZ 3.97Å; Y566-N610 HydrophobicContact CD2-CB 4.34Å; Y566-N610 HydrophobicContact CE2-CB 4.02Å
567	A	94.1	Very high	92.8	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-68.4	-30.1	177.3	0	0	0	0	0	112.4	I500 M501 K533 A536 I563 Q564 G569	I500-A567 HydrophobicContact CG2-CB 3.86Å; M501-A567 HydrophobicContact SD-CB 3.55Å; M501-A567 VanDerWaalsContact SD-CB 3.55Å; K533-A567 WeakPolarHBondContact CB-O 3.49Å; A536-A567 HydrophobicContact CB-CB 3.79Å; I563-A567 VanDerWaalsContact O-CB 3.26Å; I563-A567 WeakPolarHBondContact O-CB 3.21Å; I563-A567 PolarHBondContact O-N 3.39Å; Q564-A567 PolarHBondContact O-N 3.41Å; A567-G569 PolarHBondContact O-N 3.38Å
568	E	91.9	Very high	91.8	Very high	24 Å²	24	32.8 Å²	32.8	11%	0.112	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-0.7	169.3	-74.4	176.9	-174.7	0	0	114.2	R539 R546 Q564 V565 Y566	R539-E568 VanDerWaalsContact CB-OE1 3.24Å; R539-E568 WeakPolarHBondContact CB-OE1 3.34Å; R539-E568 PolarHBondContact N-OE1 2.9Å; R546-E568 WeakPolarHBondContact CD-OE2 3.41Å; R546-E568 WeakPolarHBondContact CG-OE2 3.35Å; R546-E568 PolarHBondContact NH1-O 2.95Å; Q564-E568 PolarHBondContact NE2-OE1 3.29Å; Q564-E568 WeakPolarHBondContact O-CG 3.49Å; Q564-E568 PolarHBondContact O-N 3.12Å; V565-E568 PolarHBondContact O-N 3.49Å; Y566-E568 VanDerWaalsContact C-N 3.31Å
569	G	88.9	Confident	90.3	Very high	50 Å²	50	33.8 Å²	33.8	52%	0.515	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	33.1	174	0	0	0	0	0	114.4	V565 Y566 A567	V565-G569 PolarHBondContact O-N 2.64Å; Y566-G569 PolarHBondContact O-N 3.32Å; A567-G569 PolarHBondContact O-N 3.38Å
570	L	90.1	Very high	88.3	Confident	24 Å²	24	41.7 Å²	41.7	13%	0.126	25%	0.246	C	C	.	.			trans	-76	143.7	166.8	-167.1	72.8	0	0	0	110.2	R546 L547 L550 V565 L572	R546-L570 HydrophobicContact CB-CD1 4.26Å; R546-L570 HydrophobicContact CB-CD2 4.23Å; L547-L570 HydrophobicContact CB-CD2 4.42Å; L547-L570 HydrophobicContact CD1-CD2 4.35Å; L550-L570 HydrophobicContact CB-CD2 4.22Å; L550-L570 HydrophobicContact CD2-CD2 3.99Å; V565-L570 HydrophobicContact CG1-CB 3.66Å; V565-L570 HydrophobicContact CG1-CD2 3.42Å; V565-L570 VanDerWaalsContact CG1-CD2 3.42Å; V565-L570 HydrophobicContact CG1-CG 4.18Å; V565-L570 PolarHBondContact O-N 3.19Å; L570-L572 PolarHBondContact O-N 2.96Å
571	D	90.3	Very high	86.5	Confident	79 Å²	79	41.8 Å²	41.8	42%	0.422	27%	0.27	S	S	.	.			trans	-69.3	118.8	163.6	-175.8	-1.3	0	0	0	108.8	M573 E574 K616	D571-M573 PolarHBondContact O-N 2.92Å; D571-M573 PolarHBondContact OD1-N 3.3Å; D571-E574 PolarHBondContact O-N 2.9Å; D571-K616 IonicContact OD2-NZ 2.8Å
572	L	93.1	Very high	85.5	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.021	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-13.4	179.6	-61.3	175.6	0	0	0	112.6	L550 L562 Y566 L570 F606 L607 N610	L550-L572 HydrophobicContact CD1-CD2 3.88Å; L562-L572 HydrophobicContact CD1-CD2 4.03Å; Y566-L572 HydrophobicContact CD2-CD1 4.08Å; L570-L572 PolarHBondContact O-N 2.96Å; L572-F606 HydrophobicContact CD1-CD1 4.45Å; L572-F606 HydrophobicContact CD1-CE1 4.08Å; L572-L607 HydrophobicContact CB-CD2 3.93Å; L572-L607 HydrophobicContact CD1-CD2 4.29Å; L572-L607 HydrophobicContact CD2-CD2 4.35Å; L572-L607 HydrophobicContact CG-CD2 4.41Å; L572-N610 HydrophobicContact CD1-CB 4.18Å
573	M	93.1	Very high	84.8	Confident	2 Å²	2	45 Å²	45	1%	0.01	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	17.8	-178.9	-65.3	-60.5	-67.3	0	0	113.5	D571 T587 L589 S611 N613 K616	D571-M573 PolarHBondContact O-N 2.92Å; D571-M573 PolarHBondContact OD1-N 3.3Å; M573-T587 HydrophobicContact CE-CG2 4.28Å; M573-T587 WeakPolarHBondContact O-CG2 3.3Å; M573-L589 HydrophobicContact CE-CB 4.15Å; M573-L589 HydrophobicContact CE-CD2 3.85Å; M573-L589 HydrophobicContact SD-CB 3.72Å; M573-L589 HydrophobicContact SD-CD2 3.89Å; M573-L589 HydrophobicContact SD-CG 4.48Å; M573-S611 WeakPolarHBondContact CG-OG 3.35Å; M573-N613 WeakPolarHBondContact CE-O 3.41Å; M573-N613 WeakPolarHBondContact CG-O 3.38Å; M573-K616 HydrophobicContact CB-CG 4.18Å; M573-K616 HydrophobicContact CE-CB 3.98Å; M573-K616 HydrophobicContact CE-CG 4.09Å; M573-K616 PolarHBondContact O-NZ 3.23Å
574	E	91.8	Very high	84.2	Confident	89 Å²	89	52.8 Å²	52.8	42%	0.416	32%	0.317	S	S	.	.	S	Bend	trans	-73.5	139.9	167.4	-171.1	63.6	-178.1	0	0	110.8	L547 D571 I576	L547-E574 HydrophobicContact CD1-CB 3.94Å; L547-E574 HydrophobicContact CD1-CG 4.03Å; L547-E574 HydrophobicContact CD2-CG 4.25Å; D571-E574 PolarHBondContact O-N 2.9Å; E574-I576 PolarHBondContact O-N 3.39Å
575	P	91.3	Very high	83.9	Confident	55 Å²	55	52.8 Å²	52.8	36%	0.357	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-64.8	126.1	-179.6	-24.1	36	0	0	0	112.8	L547	L547-P575 WeakPolarHBondContact CD2-O 2.82Å
576	I	89.6	Confident	83.9	Confident	12 Å²	12	53 Å²	53	6%	0.062	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-85.2	142.1	-174.1	44.5	164.9	0	0	0	112.4	L547 L550 C551 E574 L578 E586 L591	L547-I576 HydrophobicContact CD1-CG2 3.68Å; L547-I576 HydrophobicContact CG-CG2 4.15Å; L550-I576 HydrophobicContact CD2-CG2 4.44Å; C551-I576 HydrophobicContact CB-CB 4.31Å; C551-I576 HydrophobicContact CB-CD1 4.33Å; C551-I576 HydrophobicContact CB-CG2 4.21Å; E574-I576 PolarHBondContact O-N 3.39Å; I576-L578 HydrophobicContact CD1-CD1 3.82Å; I576-L578 HydrophobicContact CD1-CD2 4.08Å; I576-L578 HydrophobicContact CD1-CG 3.91Å; I576-L578 HydrophobicContact CG1-CD1 4.07Å; I576-L578 HydrophobicContact CG1-CG 4.06Å; I576-L578 PolarHBondContact O-N 3.12Å; I576-E586 WeakPolarHBondContact CG1-O 3.18Å; I576-E586 PolarHBondContact N-O 3.31Å; I576-L591 HydrophobicContact CD1-CB 3.76Å; I576-L591 HydrophobicContact CD1-CD2 3.46Å; I576-L591 VanDerWaalsContact CD1-CD2 3.46Å; I576-L591 HydrophobicContact CD1-CG 4.17Å
577	P	80.2	Confident	83.9	Confident	82 Å²	82	52.1 Å²	52.1	53%	0.532	32%	0.321	S	S	.	.			trans	-76.5	83.4	-177.5	31.4	-35.8	0	0	0	111.3
578	L	75.7	Confident	83.9	Confident	38 Å²	38	52.1 Å²	52.1	20%	0.199	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-88.5	149.5	178.3	-69.5	171.7	0	0	0	112.5	I576 H582 E586	I576-L578 HydrophobicContact CD1-CD1 3.82Å; I576-L578 HydrophobicContact CD1-CD2 4.08Å; I576-L578 HydrophobicContact CD1-CG 3.91Å; I576-L578 HydrophobicContact CG1-CD1 4.07Å; I576-L578 HydrophobicContact CG1-CG 4.06Å; I576-L578 PolarHBondContact O-N 3.12Å; L578-H582 HydrophobicContact CB-CB 3.51Å; L578-H582 HydrophobicContact CD1-CB 3.77Å; L578-H582 HydrophobicContact CG-CB 4.25Å; L578-E586 HydrophobicContact CD1-CB 3.77Å; L578-E586 HydrophobicContact CD1-CG 4.39Å
579	A	64.1	Low	84.1	Confident	76 Å²	76	51 Å²	51	63%	0.628	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-80.7	170.4	-179.9	0	0	0	0	0	113	G581 H582	A579-G581 PolarHBondContact O-N 3Å; A579-H582 PolarHBondContact O-CD2 2.83Å; A579-H582 PolarHBondContact O-N 3.23Å
580	N	53.8	Low	84.5	Confident	175 Å²	175	48.6 Å²	48.6	94%	0.936	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	119.8	-177.1	-64.3	-6.8	0	0	0	113.2
581	G	60.8	Low	84.7	Confident	82 Å²	82	47.5 Å²	47.5	85%	0.845	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	125.3	-21.1	-178.4	0	0	0	0	0	113.3	A579	A579-G581 PolarHBondContact O-N 3Å
582	H	73.6	Confident	84.9	Confident	80 Å²	80	44 Å²	44	37%	0.37	27%	0.267	S	S	.	.	S	Bend	trans	-86.7	160.4	174.2	-70.9	-66.5	0	0	0	113	L578 A579 E586 R594	L578-H582 HydrophobicContact CB-CB 3.51Å; L578-H582 HydrophobicContact CD1-CB 3.77Å; L578-H582 HydrophobicContact CG-CB 4.25Å; A579-H582 PolarHBondContact O-CD2 2.83Å; A579-H582 PolarHBondContact O-N 3.23Å; H582-E586 WeakPolarHBondContact CA-OE1 3.4Å; H582-E586 WeakPolarHBondContact CB-OE1 3.29Å; H582-E586 IonicContact CG-OE1 3.51Å; H582-E586 IonicContact ND1-OE1 3.88Å; H582-E586 PolarHBondContact ND1-OE1 2.82Å; H582-E586 IonicContact ND1-OE2 3.69Å; H582-R594 PolarHBondContact CE1-NH2 2.73Å; H582-R594 PolarHBondContact ND1-NH2 3.03Å
583	E	79.8	Confident	85.1	Confident	27 Å²	27	43.8 Å²	43.8	13%	0.126	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-82.7	134.1	174.6	-159.4	172.1	133.2	0	0	110.5	E586 T618 K620	E583-E586 HydrophobicContact CB-CG 4.14Å; E583-E586 PolarHBondContact N-OE1 3.09Å; E583-E586 WeakPolarHBondContact O-CB 3.45Å; E583-E586 WeakPolarHBondContact O-CG 3.39Å; E583-E586 PolarHBondContact O-N 2.96Å; E583-T618 WeakPolarHBondContact OE1-CB 3.41Å; E583-T618 PolarHBondContact OE1-OG1 2.89Å; E583-K620 HydrophobicContact CG-CG 4.37Å; E583-K620 WeakPolarHBondContact OE1-CB 3.44Å; E583-K620 VanDerWaalsContact OE1-CG 3.25Å; E583-K620 WeakPolarHBondContact OE1-CG 3.4Å; E583-K620 PolarHBondContact OE1-N 2.97Å; E583-K620 WeakPolarHBondContact OE2-CE 3.42Å; E583-K620 IonicContact OE2-NZ 3.63Å; E583-K620 PolarHBondContact OE2-NZ 2.92Å
584	Q	85	Confident	85	Confident	164 Å²	164	47.3 Å²	47.3	77%	0.766	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	140.9	173.2	-68.5	-177.6	-12.7	0	0	109.1	E586 A619	Q584-E586 VanDerWaalsContact C-N 3.35Å; Q584-A619 HydrophobicContact CB-CB 3.96Å; Q584-A619 WeakPolarHBondContact O-CB 3.15Å; Q584-A619 PolarHBondContact O-N 3.46Å
585	G	88.3	Confident	85	Confident	25 Å²	25	46 Å²	46	26%	0.258	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-2.1	-174.2	0	0	0	0	0	115.5	T587	G585-T587 PolarHBondContact O-N 2.94Å
586	E	91.9	Very high	85.1	Confident	5 Å²	5	44.5 Å²	44.5	2%	0.023	26%	0.264	C	S	.	.			trans	-54.2	124	168.7	-86.1	-172.6	-112.7	0	0	110.2	I576 L578 H582 E583 Q584 H590 R594 T618 Y627	I576-E586 WeakPolarHBondContact CG1-O 3.18Å; I576-E586 PolarHBondContact N-O 3.31Å; L578-E586 HydrophobicContact CD1-CB 3.77Å; L578-E586 HydrophobicContact CD1-CG 4.39Å; H582-E586 WeakPolarHBondContact CA-OE1 3.4Å; H582-E586 WeakPolarHBondContact CB-OE1 3.29Å; H582-E586 IonicContact CG-OE1 3.51Å; H582-E586 IonicContact ND1-OE1 3.88Å; H582-E586 PolarHBondContact ND1-OE1 2.82Å; H582-E586 IonicContact ND1-OE2 3.69Å; E583-E586 HydrophobicContact CB-CG 4.14Å; E583-E586 PolarHBondContact N-OE1 3.09Å; E583-E586 WeakPolarHBondContact O-CB 3.45Å; E583-E586 WeakPolarHBondContact O-CG 3.39Å; E583-E586 PolarHBondContact O-N 2.96Å; Q584-E586 VanDerWaalsContact C-N 3.35Å; E586-H590 HydrophobicContact CB-CB 4.35Å; E586-H590 HydrophobicContact CG-CB 4.18Å; E586-R594 IonicContact OE1-NH2 2.92Å; E586-R594 IonicContact OE2-CZ 2.7Å; E586-R594 IonicContact OE2-NE 2.72Å; E586-R594 PolarHBondContact OE2-NE 2.72Å; E586-R594 IonicContact OE2-NH2 3.62Å; E586-R594 PolarHBondContact OE2-NH2 2.76Å; E586-T618 HydrophobicContact CG-CG2 4.24Å; E586-Y627 HydrophobicContact CG-CE1 4.47Å
587	T	94.6	Very high	85.1	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.006	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-92.6	171.4	171.6	72.9	0	0	0	0	110.8	M573 G585 L589 H590 L591 K616	M573-T587 HydrophobicContact CE-CG2 4.28Å; M573-T587 WeakPolarHBondContact O-CG2 3.3Å; G585-T587 PolarHBondContact O-N 2.94Å; T587-L589 PolarHBondContact O-N 2.88Å; T587-L589 PolarHBondContact OG1-N 3.02Å; T587-H590 PolarHBondContact N-ND1 2.99Å; T587-H590 PolarHBondContact O-N 2.99Å; T587-H590 VanDerWaalsContact O-N 3.1Å; T587-H590 PolarHBondContact OG1-ND1 3.36Å; T587-L591 PolarHBondContact O-N 2.87Å; T587-L591 VanDerWaalsContact O-N 3.14Å; T587-K616 HydrophobicContact CG2-CB 4.12Å
588	A	94.8	Very high	85.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-54.5	-33.6	174.5	0	0	0	0	0	113.3	L550 V554 L591 A592 L607	L550-A588 HydrophobicContact CD1-CB 4.04Å; L550-A588 HydrophobicContact CD2-CB 3.65Å; L550-A588 HydrophobicContact CG-CB 3.67Å; V554-A588 HydrophobicContact CG2-CB 4.23Å; A588-L591 PolarHBondContact O-N 3.43Å; A588-A592 VanDerWaalsContact O-CB 3.31Å; A588-A592 WeakPolarHBondContact O-CB 3.27Å; A588-A592 PolarHBondContact O-N 3.4Å; A588-L607 HydrophobicContact CB-CD1 4.33Å; A588-L607 HydrophobicContact CB-CD2 4.15Å
589	L	96.3	Very high	85.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-68.5	-39.7	177.3	-173.3	61.6	0	0	0	112.6	M573 T587 A592 V593 V604 L607 L614 A624 L640	M573-L589 HydrophobicContact CE-CB 4.15Å; M573-L589 HydrophobicContact CE-CD2 3.85Å; M573-L589 HydrophobicContact SD-CB 3.72Å; M573-L589 HydrophobicContact SD-CD2 3.89Å; M573-L589 HydrophobicContact SD-CG 4.48Å; T587-L589 PolarHBondContact O-N 2.88Å; T587-L589 PolarHBondContact OG1-N 3.02Å; L589-A592 PolarHBondContact O-N 2.91Å; L589-V593 WeakPolarHBondContact O-CG2 3.35Å; L589-V593 PolarHBondContact O-N 3.19Å; L589-V604 HydrophobicContact CD1-CG1 4.23Å; L589-L607 HydrophobicContact CD1-CB 3.84Å; L589-L607 HydrophobicContact CD1-CD1 4.43Å; L589-L614 HydrophobicContact CD2-CD2 3.95Å; L589-A624 HydrophobicContact CD2-CB 3.79Å; L589-A624 HydrophobicContact CG-CB 3.79Å; L589-L640 HydrophobicContact CD1-CD2 4.21Å; L589-L640 HydrophobicContact CD2-CD2 3.87Å; L589-L640 HydrophobicContact CG-CD2 4.35Å
590	H	95.4	Very high	87.2	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-44.7	174.4	-65.8	84	0	0	0	111.4	E586 T587 R594 K616 S622 T623 A624 Y627	E586-H590 HydrophobicContact CB-CB 4.35Å; E586-H590 HydrophobicContact CG-CB 4.18Å; T587-H590 PolarHBondContact N-ND1 2.99Å; T587-H590 PolarHBondContact O-N 2.99Å; T587-H590 VanDerWaalsContact O-N 3.1Å; T587-H590 PolarHBondContact OG1-ND1 3.36Å; H590-R594 VanDerWaalsContact O-CB 3.32Å; H590-R594 WeakPolarHBondContact O-CB 3.41Å; H590-R594 PolarHBondContact O-N 2.58Å; H590-K616 PolarHBondContact CE1-O 2.99Å; H590-K616 VanDerWaalsContact CE1-O 3.25Å; H590-S622 PolarHBondContact NE2-O 3.06Å; H590-T623 WeakPolarHBondContact NE2-CA 3.44Å; H590-A624 PolarHBondContact NE2-N 3.09Å; H590-A624 VanDerWaalsContact NE2-N 3.17Å; H590-Y627 HydrophobicContact CB-CD1 4.24Å; H590-Y627 HydrophobicContact CB-CE1 4.27Å; H590-Y627 AromaticContact CD2-CD2 3.83Å; H590-Y627 AromaticContact CD2-CE2 3.98Å
591	L	94.4	Very high	89.2	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-61.8	-42.5	174.8	177.5	69	0	0	0	111.6	V554 K555 I576 T587 A588 R594 L595	V554-L591 HydrophobicContact CB-CD2 4Å; V554-L591 HydrophobicContact CB-CG 4.49Å; V554-L591 HydrophobicContact CG1-CB 4.23Å; V554-L591 HydrophobicContact CG1-CD2 3.81Å; V554-L591 HydrophobicContact CG1-CG 3.74Å; K555-L591 HydrophobicContact CG-CD2 4.33Å; I576-L591 HydrophobicContact CD1-CB 3.76Å; I576-L591 HydrophobicContact CD1-CD2 3.46Å; I576-L591 VanDerWaalsContact CD1-CD2 3.46Å; I576-L591 HydrophobicContact CD1-CG 4.17Å; T587-L591 PolarHBondContact O-N 2.87Å; T587-L591 VanDerWaalsContact O-N 3.14Å; A588-L591 PolarHBondContact O-N 3.43Å; L591-R594 PolarHBondContact O-N 2.89Å; L591-L595 HydrophobicContact CD1-CD1 3.53Å; L591-L595 HydrophobicContact CD1-CG 3.97Å; L591-L595 HydrophobicContact CG-CD1 3.95Å; L591-L595 HydrophobicContact CG-CG 4.48Å; L591-L595 WeakPolarHBondContact O-CB 3.25Å; L591-L595 WeakPolarHBondContact O-CG 3.36Å; L591-L595 PolarHBondContact O-N 2.96Å
592	A	95.8	Very high	90.9	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.033	17%	0.172	C	C	.	.	H	α-helix	trans	-62.9	-50.3	179.6	0	0	0	0	0	111.4	V554 A588 L589 R594 L595 V596 I603 V604 L607	V554-A592 HydrophobicContact CG1-CB 3.72Å; A588-A592 VanDerWaalsContact O-CB 3.31Å; A588-A592 WeakPolarHBondContact O-CB 3.27Å; A588-A592 PolarHBondContact O-N 3.4Å; L589-A592 PolarHBondContact O-N 2.91Å; A592-R594 VanDerWaalsContact C-N 3.27Å; A592-R594 PolarHBondContact O-N 3.35Å; A592-L595 PolarHBondContact O-N 2.66Å; A592-V596 WeakPolarHBondContact O-CB 3.48Å; A592-V596 PolarHBondContact O-N 3.14Å; A592-I603 HydrophobicContact CB-CG2 4.09Å; A592-V604 HydrophobicContact CB-CG2 3.79Å; A592-L607 HydrophobicContact CB-CD1 3.7Å
593	V	96.2	Very high	92.1	Very high	1 Å²	1	32 Å²	32	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-57.6	-39.1	175.3	170.3	0	0	0	0	111.7	L589 V596 V604 C628 C636	L589-V593 WeakPolarHBondContact O-CG2 3.35Å; L589-V593 PolarHBondContact O-N 3.19Å; V593-V596 WeakPolarHBondContact O-CG1 3.49Å; V593-V604 HydrophobicContact CG2-CG1 4.29Å; V593-C628 HydrophobicContact CG1-CB 4.4Å; V593-C628 WeakPolarHBondContact CG1-SG 3.13Å; V593-C636 HydrophobicContact CG1-CB 4.45Å; V593-C636 HydrophobicContact CG2-CB 4.1Å
594	R	92.3	Very high	92.9	Very high	75 Å²	75	30.7 Å²	30.7	28%	0.283	15%	0.149	S	C	.	.	H	α-helix	trans	-78.2	-16.7	-178.9	-167.6	173.1	48.4	53.4	3.3	114.4	H582 E586 H590 L591 A592 Y627	H582-R594 PolarHBondContact CE1-NH2 2.73Å; H582-R594 PolarHBondContact ND1-NH2 3.03Å; E586-R594 IonicContact OE1-NH2 2.92Å; E586-R594 IonicContact OE2-CZ 2.7Å; E586-R594 IonicContact OE2-NE 2.72Å; E586-R594 PolarHBondContact OE2-NE 2.72Å; E586-R594 IonicContact OE2-NH2 3.62Å; E586-R594 PolarHBondContact OE2-NH2 2.76Å; H590-R594 VanDerWaalsContact O-CB 3.32Å; H590-R594 WeakPolarHBondContact O-CB 3.41Å; H590-R594 PolarHBondContact O-N 2.58Å; L591-R594 PolarHBondContact O-N 2.89Å; A592-R594 VanDerWaalsContact C-N 3.27Å; A592-R594 PolarHBondContact O-N 3.35Å; R594-Y627 HydrophobicContact CB-CD1 4.3Å
595	L	91.8	Very high	93.5	Very high	63 Å²	63	23 Å²	23	33%	0.33	11%	0.113	S	C	.	.	H	α-helix	trans	-110.9	2.8	178.5	-66	-174.7	0	0	0	113.9	K555 R557 L591 A592	K555-L595 HydrophobicContact CB-CD1 4.48Å; K555-L595 HydrophobicContact CG-CD1 3.92Å; R557-L595 PolarHBondContact NH2-O 2.88Å; L591-L595 HydrophobicContact CD1-CD1 3.53Å; L591-L595 HydrophobicContact CD1-CG 3.97Å; L591-L595 HydrophobicContact CG-CD1 3.95Å; L591-L595 HydrophobicContact CG-CG 4.48Å; L591-L595 WeakPolarHBondContact O-CB 3.25Å; L591-L595 WeakPolarHBondContact O-CG 3.36Å; L591-L595 PolarHBondContact O-N 2.96Å; A592-L595 PolarHBondContact O-N 2.66Å
596	V	92.4	Very high	93.9	Very high	22 Å²	22	21.8 Å²	21.8	13%	0.133	10%	0.101	C	C	.	.			trans	-67.8	144.2	-172.9	78.3	0	0	0	0	112.1	A592 V593 S600 L601 V604 N633	A592-V596 WeakPolarHBondContact O-CB 3.48Å; A592-V596 PolarHBondContact O-N 3.14Å; V593-V596 WeakPolarHBondContact O-CG1 3.49Å; V596-S600 WeakPolarHBondContact CA-OG 3.36Å; V596-S600 WeakPolarHBondContact CG2-OG 3.43Å; V596-L601 HydrophobicContact CG2-CD2 3.9Å; V596-L601 HydrophobicContact CG2-CG 4.3Å; V596-V604 HydrophobicContact CG2-CG2 4.14Å; V596-N633 WeakPolarHBondContact CG1-ND2 3.45Å
597	D	89.4	Confident	94.2	Very high	68 Å²	68	21.6 Å²	21.6	36%	0.364	10%	0.1	S	C	.	.			trans	-139	-172.3	155.9	67.6	33.9	0	0	0	110.7	R557 T599 S600	R557-D597 IonicContact CZ-OD1 3.99Å; R557-D597 IonicContact CZ-OD2 2.71Å; R557-D597 IonicContact NH1-OD1 3.32Å; R557-D597 PolarHBondContact NH1-OD1 3.48Å; R557-D597 VanDerWaalsContact NH1-OD1 3.17Å; R557-D597 IonicContact NH1-OD2 2.58Å; R557-D597 PolarHBondContact NH1-OD2 3.21Å; R557-D597 VanDerWaalsContact NH2-CG 3.26Å; R557-D597 IonicContact NH2-OD1 3.19Å; R557-D597 IonicContact NH2-OD2 3.32Å; R557-D597 PolarHBondContact NH2-OD2 3.46Å; D597-T599 PolarHBondContact O-N 3.34Å; D597-T599 WeakPolarHBondContact OD1-CA 3.37Å; D597-T599 WeakPolarHBondContact OD1-CB 3.34Å; D597-T599 PolarHBondContact OD1-N 3.14Å; D597-T599 PolarHBondContact OD1-OG1 3Å; D597-S600 PolarHBondContact N-OG 3.21Å; D597-S600 VanDerWaalsContact N-OG 3.1Å; D597-S600 PolarHBondContact O-N 3.39Å; D597-S600 PolarHBondContact O-OG 3.44Å
598	R	82.9	Confident	94.3	Very high	159 Å²	159	21.8 Å²	21.8	60%	0.6	10%	0.101	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-14.2	-179	-71.7	178.9	160.6	171	-8.1	114.3	E688 Y689 E690	R598-E688 IonicContact CZ-OE2 3.89Å; R598-E688 IonicContact NE-OE2 3.25Å; R598-E688 IonicContact NH2-OE2 2.7Å; R598-E688 PolarHBondContact NH2-OE2 2.95Å; R598-Y689 WeakPolarHBondContact O-CD2 3.24Å; R598-E690 HydrophobicContact CB-CB 4.48Å; R598-E690 WeakPolarHBondContact O-CB 3.33Å; R598-E690 PolarHBondContact O-N 2.82Å
599	T	88.1	Confident	94.3	Very high	29 Å²	29	22.3 Å²	22.3	18%	0.178	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-9.5	178.6	70.7	0	0	0	0	114.4	R557 D597 H602 Y689 E690	R557-T599 PolarHBondContact NH1-OG1 3.18Å; R557-T599 VanDerWaalsContact NH1-OG1 3.08Å; D597-T599 PolarHBondContact O-N 3.34Å; D597-T599 WeakPolarHBondContact OD1-CA 3.37Å; D597-T599 WeakPolarHBondContact OD1-CB 3.34Å; D597-T599 PolarHBondContact OD1-N 3.14Å; D597-T599 PolarHBondContact OD1-OG1 3Å; T599-H602 PolarHBondContact O-CE1 3.33Å; T599-H602 VanDerWaalsContact O-CE1 3.27Å; T599-H602 PolarHBondContact O-ND1 3.23Å; T599-Y689 WeakPolarHBondContact O-CE2 3.5Å; T599-Y689 PolarHBondContact O-OH 3.37Å; T599-E690 HydrophobicContact CG2-CB 4.24Å; T599-E690 WeakPolarHBondContact CG2-OE2 3.31Å
600	S	93.9	Very high	94.2	Very high	6 Å²	6	23.2 Å²	23.2	4%	0.042	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127	10.4	-166.6	74	0	0	0	0	116.2	V596 D597 H602 I603	V596-S600 WeakPolarHBondContact CA-OG 3.36Å; V596-S600 WeakPolarHBondContact CG2-OG 3.43Å; D597-S600 PolarHBondContact N-OG 3.21Å; D597-S600 VanDerWaalsContact N-OG 3.1Å; D597-S600 PolarHBondContact O-N 3.39Å; D597-S600 PolarHBondContact O-OG 3.44Å; S600-H602 PolarHBondContact O-N 3.46Å; S600-H602 VanDerWaalsContact O-N 3.13Å; S600-I603 WeakPolarHBondContact O-CB 3.34Å; S600-I603 PolarHBondContact O-N 2.92Å
601	L	96.3	Very high	94	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	11%	0.113	C	C	.	.	H	α-helix	trans	-55.9	-28.6	176.3	-74.3	169.5	0	0	0	113.1	L487 V596 I603 V604 D605 E635 L639 V687 E688 Y689	L487-L601 HydrophobicContact CD2-CB 3.9Å; V596-L601 HydrophobicContact CG2-CD2 3.9Å; V596-L601 HydrophobicContact CG2-CG 4.3Å; L601-I603 PolarHBondContact O-N 3.13Å; L601-V604 PolarHBondContact O-N 3.07Å; L601-V604 VanDerWaalsContact O-N 3.1Å; L601-D605 PolarHBondContact O-N 3.13Å; L601-E635 HydrophobicContact CD1-CB 4.02Å; L601-E635 HydrophobicContact CD2-CB 3.9Å; L601-L639 HydrophobicContact CB-CD1 4.39Å; L601-L639 HydrophobicContact CD2-CD1 4.11Å; L601-V687 HydrophobicContact CD1-CB 4.39Å; L601-E688 VanDerWaalsContact CD1-O 3.24Å; L601-E688 WeakPolarHBondContact CD1-O 3.47Å; L601-Y689 HydrophobicContact CB-CD2 3.92Å; L601-Y689 HydrophobicContact CB-CE2 4.36Å; L601-Y689 HydrophobicContact CD1-CD2 4.22Å; L601-Y689 HydrophobicContact CG-CD2 4.41Å
602	H	96.1	Very high	93.5	Very high	13 Å²	13	31.6 Å²	31.6	6%	0.06	15%	0.154	C	C	.	.	H	α-helix	trans	-61.6	-25.9	177.5	64.9	-101.3	0	0	0	113.4	L487 L488 N491 T599 S600 F606 Y689	L487-H602 HydrophobicContact CD1-CB 4.15Å; L487-H602 HydrophobicContact CG-CB 4.02Å; L488-H602 HydrophobicContact CD2-CB 4.28Å; L488-H602 VanDerWaalsContact CD2-O 3.3Å; L488-H602 WeakPolarHBondContact CD2-O 3.24Å; N491-H602 HydrophobicContact CB-CB 4.17Å; T599-H602 PolarHBondContact O-CE1 3.33Å; T599-H602 VanDerWaalsContact O-CE1 3.27Å; T599-H602 PolarHBondContact O-ND1 3.23Å; S600-H602 PolarHBondContact O-N 3.46Å; S600-H602 VanDerWaalsContact O-N 3.13Å; H602-F606 WeakPolarHBondContact O-CB 3.44Å; H602-F606 PolarHBondContact O-N 3.01Å; H602-Y689 AromaticContact ND1-CE2 3.9Å; H602-Y689 AromaticContact ND1-CZ 3.74Å; H602-Y689 PolarHBondContact ND1-OH 3.26Å
603	I	97.9	Very high	93.1	Very high	4 Å²	4	35 Å²	35	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-70.1	-44.9	173.6	-59	-62.2	0	0	0	110.2	V554 R557 I559 L562 A592 S600 L601 F606 L607	V554-I603 HydrophobicContact CB-CG2 4.49Å; V554-I603 HydrophobicContact CG1-CG2 4.35Å; V554-I603 HydrophobicContact CG2-CG2 4.06Å; R557-I603 HydrophobicContact CB-CG1 4.35Å; I559-I603 HydrophobicContact CB-CD1 4.21Å; I559-I603 HydrophobicContact CD1-CD1 4.45Å; L562-I603 HydrophobicContact CD2-CD1 4.19Å; L562-I603 HydrophobicContact CD2-CG2 4.15Å; A592-I603 HydrophobicContact CB-CG2 4.09Å; S600-I603 WeakPolarHBondContact O-CB 3.34Å; S600-I603 PolarHBondContact O-N 2.92Å; L601-I603 PolarHBondContact O-N 3.13Å; I603-F606 PolarHBondContact O-N 3.47Å; I603-L607 HydrophobicContact CG2-CD1 4.17Å; I603-L607 VanDerWaalsContact O-CG 3.3Å; I603-L607 WeakPolarHBondContact O-CG 3.25Å; I603-L607 PolarHBondContact O-N 2.94Å; I603-L607 VanDerWaalsContact O-N 3.1Å
604	V	97.6	Very high	93.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66	-42.3	177.3	179.1	0	0	0	0	110.3	L589 A592 V593 V596 L601 L607 T608 C636 L639	L589-V604 HydrophobicContact CD1-CG1 4.23Å; A592-V604 HydrophobicContact CB-CG2 3.79Å; V593-V604 HydrophobicContact CG2-CG1 4.29Å; V596-V604 HydrophobicContact CG2-CG2 4.14Å; L601-V604 PolarHBondContact O-N 3.07Å; L601-V604 VanDerWaalsContact O-N 3.1Å; V604-L607 PolarHBondContact O-N 3.32Å; V604-T608 WeakPolarHBondContact O-CB 3.38Å; V604-T608 PolarHBondContact O-N 3.08Å; V604-T608 PolarHBondContact O-OG1 3.39Å; V604-C636 HydrophobicContact CG1-CB 4.25Å; V604-L639 HydrophobicContact CB-CD1 4.33Å; V604-L639 HydrophobicContact CG1-CD1 4.2Å
605	D	96.9	Very high	93.2	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.011	17%	0.173	C	C	.	.	H	α-helix	trans	-63.7	-44.3	176.5	-171.5	32.7	0	0	0	111.9	L487 L488 L601 L607 T608 Q609 L639	L487-D605 HydrophobicContact CD2-CB 3.8Å; L487-D605 HydrophobicContact CG-CB 4.49Å; L488-D605 HydrophobicContact CD2-CB 4.29Å; L488-D605 WeakPolarHBondContact CG-OD2 3.49Å; L601-D605 PolarHBondContact O-N 3.13Å; D605-L607 PolarHBondContact O-N 2.93Å; D605-T608 PolarHBondContact O-N 3.25Å; D605-Q609 VanDerWaalsContact O-CB 3.26Å; D605-Q609 WeakPolarHBondContact O-CB 3.33Å; D605-Q609 WeakPolarHBondContact O-CG 3.41Å; D605-Q609 PolarHBondContact O-N 3.02Å; D605-Q609 WeakPolarHBondContact OD1-CG 3.43Å; D605-Q609 PolarHBondContact OD1-NE2 3.1Å; D605-Q609 PolarHBondContact OD2-NE2 3.25Å; D605-L639 HydrophobicContact CB-CD1 4.06Å; D605-L639 HydrophobicContact CB-CD2 4.22Å
606	F	97.8	Very high	93.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.3	-45.3	177.2	-172.5	-87.1	0	0	0	112.3	L488 I559 L562 I563 Y566 L572 H602 I603 Q609 N610	L488-F606 HydrophobicContact CD1-CB 4.38Å; L488-F606 HydrophobicContact CD1-CD2 4.04Å; L488-F606 HydrophobicContact CD2-CB 3.84Å; L488-F606 HydrophobicContact CD2-CD2 4.37Å; I559-F606 HydrophobicContact CD1-CB 3.75Å; I559-F606 HydrophobicContact CD1-CD2 3.93Å; I559-F606 HydrophobicContact CD1-CG 3.84Å; L562-F606 HydrophobicContact CD1-CD1 4.32Å; L562-F606 HydrophobicContact CD2-CB 4.03Å; L562-F606 HydrophobicContact CD2-CD1 3.6Å; L562-F606 HydrophobicContact CD2-CE1 4.44Å; L562-F606 HydrophobicContact CD2-CG 4.06Å; L562-F606 HydrophobicContact CG-CD1 3.62Å; L562-F606 HydrophobicContact CG-CE1 3.97Å; L562-F606 HydrophobicContact CG-CG 4.42Å; I563-F606 HydrophobicContact CD1-CE2 4.28Å; I563-F606 HydrophobicContact CG1-CD2 4.21Å; I563-F606 HydrophobicContact CG1-CE1 4.46Å; I563-F606 HydrophobicContact CG1-CE2 3.55Å; I563-F606 HydrophobicContact CG1-CZ 3.7Å; Y566-F606 AromaticContact CD1-CZ 3.96Å; Y566-F606 HydrophobicContact CD1-CZ 3.96Å; Y566-F606 HydrophobicContact CG-CE1 4.2Å; Y566-F606 AromaticContact CG-CZ 3.97Å; Y566-F606 HydrophobicContact CG-CZ 3.97Å; L572-F606 HydrophobicContact CD1-CD1 4.45Å; L572-F606 HydrophobicContact CD1-CE1 4.08Å; H602-F606 WeakPolarHBondContact O-CB 3.44Å; H602-F606 PolarHBondContact O-N 3.01Å; I603-F606 PolarHBondContact O-N 3.47Å; F606-Q609 PolarHBondContact O-N 3.24Å; F606-N610 WeakPolarHBondContact CD2-ND2 3.31Å; F606-N610 HydrophobicContact CE1-CB 4.38Å; F606-N610 WeakPolarHBondContact CE2-ND2 3.39Å; F606-N610 WeakPolarHBondContact O-CB 3.09Å; F606-N610 PolarHBondContact O-N 3.46Å; F606-N610 PolarHBondContact O-ND2 3.28Å
607	L	97.4	Very high	93.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.7	-46.4	175.6	-70.2	168.4	0	0	0	110.9	L550 V554 L562 L572 A588 L589 A592 I603 V604 D605 Q609 S611	L550-L607 HydrophobicContact CD1-CD2 4.49Å; V554-L607 HydrophobicContact CG2-CD1 4.17Å; L562-L607 HydrophobicContact CD1-CD2 3.88Å; L562-L607 HydrophobicContact CD2-CD2 4.49Å; L562-L607 HydrophobicContact CD2-CG 4.27Å; L572-L607 HydrophobicContact CB-CD2 3.93Å; L572-L607 HydrophobicContact CD1-CD2 4.29Å; L572-L607 HydrophobicContact CD2-CD2 4.35Å; L572-L607 HydrophobicContact CG-CD2 4.41Å; A588-L607 HydrophobicContact CB-CD1 4.33Å; A588-L607 HydrophobicContact CB-CD2 4.15Å; L589-L607 HydrophobicContact CD1-CB 3.84Å; L589-L607 HydrophobicContact CD1-CD1 4.43Å; A592-L607 HydrophobicContact CB-CD1 3.7Å; I603-L607 HydrophobicContact CG2-CD1 4.17Å; I603-L607 VanDerWaalsContact O-CG 3.3Å; I603-L607 WeakPolarHBondContact O-CG 3.25Å; I603-L607 PolarHBondContact O-N 2.94Å; I603-L607 VanDerWaalsContact O-N 3.1Å; V604-L607 PolarHBondContact O-N 3.32Å; D605-L607 PolarHBondContact O-N 2.93Å; L607-Q609 VanDerWaalsContact C-N 3.34Å; L607-Q609 PolarHBondContact O-N 3.3Å; L607-S611 WeakPolarHBondContact O-CB 3.35Å; L607-S611 PolarHBondContact O-N 3.4Å; L607-S611 VanDerWaalsContact O-N 3.13Å; L607-S611 PolarHBondContact O-OG 3.38Å
608	T	96	Very high	93.7	Very high	6 Å²	6	35 Å²	35	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-62.1	-40.9	179.4	-59.4	0	0	0	0	111.7	V604 D605 L614 L640	V604-T608 WeakPolarHBondContact O-CB 3.38Å; V604-T608 PolarHBondContact O-N 3.08Å; V604-T608 PolarHBondContact O-OG1 3.39Å; D605-T608 PolarHBondContact O-N 3.25Å; T608-L614 HydrophobicContact CG2-CD1 3.88Å; T608-L614 HydrophobicContact CG2-CD2 4.36Å; T608-L640 HydrophobicContact CG2-CD2 4.25Å
609	Q	94.6	Very high	94.1	Very high	10 Å²	10	30.2 Å²	30.2	5%	0.047	17%	0.165	C	C	.	.	H	α-helix	trans	-82.7	-24.4	-175.2	-74.6	-155.8	66.9	0	0	114.4	T449 N450 R472 D605 F606 L607	T449-Q609 PolarHBondContact O-NE2 2.88Å; T449-Q609 PolarHBondContact O-OE1 3.05Å; N450-Q609 HydrophobicContact CB-CB 3.81Å; R472-Q609 VanDerWaalsContact CZ-O 3.24Å; R472-Q609 PolarHBondContact NH1-O 3.41Å; R472-Q609 PolarHBondContact NH2-O 3.07Å; D605-Q609 VanDerWaalsContact O-CB 3.26Å; D605-Q609 WeakPolarHBondContact O-CB 3.33Å; D605-Q609 WeakPolarHBondContact O-CG 3.41Å; D605-Q609 PolarHBondContact O-N 3.02Å; D605-Q609 WeakPolarHBondContact OD1-CG 3.43Å; D605-Q609 PolarHBondContact OD1-NE2 3.1Å; D605-Q609 PolarHBondContact OD2-NE2 3.25Å; F606-Q609 PolarHBondContact O-N 3.24Å; L607-Q609 VanDerWaalsContact C-N 3.34Å; L607-Q609 PolarHBondContact O-N 3.3Å
610	N	94.8	Very high	94.2	Very high	19 Å²	19	34 Å²	34	10%	0.102	18%	0.179	C	C	.	.	H	α-helix	trans	-113.1	7.4	-176.4	-58.5	-76.3	0	0	0	114.3	N450 Y566 L572 F606	N450-N610 PolarHBondContact ND2-OD1 3.42Å; N450-N610 PolarHBondContact O-ND2 3.05Å; N450-N610 PolarHBondContact O-OD1 3.2Å; Y566-N610 HydrophobicContact CD2-CB 4.34Å; Y566-N610 HydrophobicContact CE2-CB 4.02Å; L572-N610 HydrophobicContact CD1-CB 4.18Å; F606-N610 WeakPolarHBondContact CD2-ND2 3.31Å; F606-N610 HydrophobicContact CE1-CB 4.38Å; F606-N610 WeakPolarHBondContact CE2-ND2 3.39Å; F606-N610 WeakPolarHBondContact O-CB 3.09Å; F606-N610 PolarHBondContact O-N 3.46Å; F606-N610 PolarHBondContact O-ND2 3.28Å
611	S	92.3	Very high	94.2	Very high	15 Å²	15	34.2 Å²	34.2	11%	0.105	18%	0.182	C	C	.	.			trans	-93.7	145.7	170.1	-60.8	0	0	0	0	111.5	M573 L607	M573-S611 WeakPolarHBondContact CG-OG 3.35Å; L607-S611 WeakPolarHBondContact O-CB 3.35Å; L607-S611 PolarHBondContact O-N 3.4Å; L607-S611 VanDerWaalsContact O-N 3.13Å; L607-S611 PolarHBondContact O-OG 3.38Å
612	L	82.2	Confident	94.2	Very high	163 Å²	163	34.5 Å²	34.5	85%	0.853	18%	0.184	S	C	*	.	S	Bend	trans	-86	-20.2	179.2	-64.2	175.6	0	0	0	113.8
613	N	89.2	Confident	94.2	Very high	77 Å²	77	33.9 Å²	33.9	41%	0.412	18%	0.182	S	C	.	.			trans	-145.9	109.2	-176.8	178.4	-21.5	0	0	0	109.3	M573 D615 K616	M573-N613 WeakPolarHBondContact CE-O 3.41Å; M573-N613 WeakPolarHBondContact CG-O 3.38Å; N613-D615 VanDerWaalsContact C-N 3.33Å; N613-D615 WeakPolarHBondContact OD1-CA 3.28Å; N613-D615 WeakPolarHBondContact OD1-CB 3.49Å; N613-D615 PolarHBondContact OD1-N 2.92Å; N613-K616 PolarHBondContact OD1-N 2.68Å
614	L	94.5	Very high	94.2	Very high	12 Å²	12	33.8 Å²	33.8	6%	0.063	18%	0.181	C	C	.	.	S	Bend	trans	-84.7	-9.9	-179.9	-56.7	178.5	0	0	0	113.2	L589 T608 G643 A645	L589-L614 HydrophobicContact CD2-CD2 3.95Å; T608-L614 HydrophobicContact CG2-CD1 3.88Å; T608-L614 HydrophobicContact CG2-CD2 4.36Å; L614-G643 WeakPolarHBondContact CD1-O 3.35Å; L614-A645 HydrophobicContact CB-CB 3.83Å; L614-A645 HydrophobicContact CD1-CB 3.93Å
615	D	94.9	Very high	94.2	Very high	46 Å²	46	33.9 Å²	33.9	25%	0.246	18%	0.182	C	C	.	.			trans	-99.6	7.4	-164.2	-66.1	-19.3	0	0	0	113.1	N613 Q617 A645 S646 I649	N613-D615 VanDerWaalsContact C-N 3.33Å; N613-D615 WeakPolarHBondContact OD1-CA 3.28Å; N613-D615 WeakPolarHBondContact OD1-CB 3.49Å; N613-D615 PolarHBondContact OD1-N 2.92Å; D615-Q617 PolarHBondContact O-N 2.96Å; D615-A645 WeakPolarHBondContact OD1-CA 3.2Å; D615-S646 PolarHBondContact OD1-N 2.89Å; D615-S646 WeakPolarHBondContact OD2-CB 3.46Å; D615-S646 PolarHBondContact OD2-N 2.65Å; D615-I649 HydrophobicContact CB-CD1 3.57Å
616	K	94.6	Very high	94.2	Very high	68 Å²	68	33.8 Å²	33.8	30%	0.296	18%	0.181	S	C	.	.			trans	-51.6	126.9	170.5	-68.4	-91.4	-169.6	134.7	0	109.7	D571 M573 T587 H590 N613	D571-K616 IonicContact OD2-NZ 2.8Å; M573-K616 HydrophobicContact CB-CG 4.18Å; M573-K616 HydrophobicContact CE-CB 3.98Å; M573-K616 HydrophobicContact CE-CG 4.09Å; M573-K616 PolarHBondContact O-NZ 3.23Å; T587-K616 HydrophobicContact CG2-CB 4.12Å; H590-K616 PolarHBondContact CE1-O 2.99Å; H590-K616 VanDerWaalsContact CE1-O 3.25Å; N613-K616 PolarHBondContact OD1-N 2.68Å
617	Q	94.7	Very high	94.1	Very high	95 Å²	95	34.6 Å²	34.6	44%	0.444	18%	0.184	S	C	.	.			trans	-94.3	146.4	178.9	-68.7	175	-72.4	0	0	111.6	D615 G621 S622 T623 I649 A650	D615-Q617 PolarHBondContact O-N 2.96Å; Q617-G621 WeakPolarHBondContact CG-O 3.49Å; Q617-G621 PolarHBondContact NE2-O 3.12Å; Q617-S622 CarbonylContact C-O 3.58Å; Q617-S622 WeakPolarHBondContact CA-O 3.39Å; Q617-T623 HydrophobicContact CG-CG2 3.73Å; Q617-I649 HydrophobicContact CG-CG2 4.13Å; Q617-I649 VanDerWaalsContact NE2-CG2 3.31Å; Q617-A650 PolarHBondContact NE2-O 3.27Å
618	T	94.3	Very high	94.1	Very high	8 Å²	8	34.6 Å²	34.6	5%	0.049	18%	0.184	C	C	.	.			trans	-67.8	174.8	162.5	62.3	0	0	0	0	111.5	E583 E586 K620 G621 S622 Y627	E583-T618 WeakPolarHBondContact OE1-CB 3.41Å; E583-T618 PolarHBondContact OE1-OG1 2.89Å; E586-T618 HydrophobicContact CG-CG2 4.24Å; T618-K620 PolarHBondContact O-N 3.06Å; T618-K620 VanDerWaalsContact O-N 3.15Å; T618-G621 PolarHBondContact O-N 3.18Å; T618-S622 PolarHBondContact N-O 3.07Å; T618-S622 WeakPolarHBondContact OG1-CB 3.38Å; T618-S622 PolarHBondContact OG1-N 2.7Å; T618-S622 VanDerWaalsContact OG1-N 3.11Å; T618-S622 PolarHBondContact OG1-O 3.32Å; T618-Y627 HydrophobicContact CG2-CE2 4.26Å
619	A	91.8	Very high	94.2	Very high	58 Å²	58	34.3 Å²	34.3	48%	0.479	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-29.2	177.6	0	0	0	0	0	113.7	Q584 G621	Q584-A619 HydrophobicContact CB-CB 3.96Å; Q584-A619 WeakPolarHBondContact O-CB 3.15Å; Q584-A619 PolarHBondContact O-N 3.46Å; A619-G621 VanDerWaalsContact C-N 3.35Å
620	K	91.5	Very high	94.2	Very high	108 Å²	108	37.4 Å²	37.4	47%	0.47	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	21	172.9	-49.6	176.7	-157.9	132.4	0	114	E583 T618 S622 N651 E652	E583-K620 HydrophobicContact CG-CG 4.37Å; E583-K620 WeakPolarHBondContact OE1-CB 3.44Å; E583-K620 VanDerWaalsContact OE1-CG 3.25Å; E583-K620 WeakPolarHBondContact OE1-CG 3.4Å; E583-K620 PolarHBondContact OE1-N 2.97Å; E583-K620 WeakPolarHBondContact OE2-CE 3.42Å; E583-K620 IonicContact OE2-NZ 3.63Å; E583-K620 PolarHBondContact OE2-NZ 2.92Å; T618-K620 PolarHBondContact O-N 3.06Å; T618-K620 VanDerWaalsContact O-N 3.15Å; K620-S622 VanDerWaalsContact C-N 3.28Å; K620-S622 PolarHBondContact O-N 3.26Å; K620-N651 WeakPolarHBondContact O-CB 3.46Å; K620-E652 WeakPolarHBondContact CA-OE2 3.41Å; K620-E652 HydrophobicContact CB-CB 4.38Å; K620-E652 HydrophobicContact CB-CG 4.38Å; K620-E652 WeakPolarHBondContact CB-OE2 3.23Å; K620-E652 WeakPolarHBondContact O-CB 3.49Å; K620-E652 PolarHBondContact O-N 3.45Å
621	G	93.9	Very high	94.1	Very high	11 Å²	11	39.9 Å²	39.9	11%	0.113	22%	0.215	C	C	.	.	S	Bend	trans	73.8	8.6	178.3	0	0	0	0	0	115.6	Q617 T618 A619 N651	Q617-G621 WeakPolarHBondContact CG-O 3.49Å; Q617-G621 PolarHBondContact NE2-O 3.12Å; T618-G621 PolarHBondContact O-N 3.18Å; A619-G621 VanDerWaalsContact C-N 3.35Å; G621-N651 WeakPolarHBondContact O-CA 3.43Å
622	S	95.6	Very high	94.3	Very high	9 Å²	9	42.6 Å²	42.6	6%	0.063	23%	0.228	C	C	.	.			trans	-84.3	138.2	-177.4	-62.3	0	0	0	0	111.3	H590 Q617 T618 K620	H590-S622 PolarHBondContact NE2-O 3.06Å; Q617-S622 CarbonylContact C-O 3.58Å; Q617-S622 WeakPolarHBondContact CA-O 3.39Å; T618-S622 PolarHBondContact N-O 3.07Å; T618-S622 WeakPolarHBondContact OG1-CB 3.38Å; T618-S622 PolarHBondContact OG1-N 2.7Å; T618-S622 VanDerWaalsContact OG1-N 3.11Å; T618-S622 PolarHBondContact OG1-O 3.32Å; K620-S622 VanDerWaalsContact C-N 3.28Å; K620-S622 PolarHBondContact O-N 3.26Å
623	T	96.8	Very high	94.8	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	20%	0.196	C	C	.	.			trans	-103	173.8	174.4	68.2	0	0	0	0	111.7	H590 Q617 L625 H626 Y627 I649	H590-T623 WeakPolarHBondContact NE2-CA 3.44Å; Q617-T623 HydrophobicContact CG-CG2 3.73Å; T623-L625 PolarHBondContact O-N 3.4Å; T623-H626 PolarHBondContact N-ND1 3Å; T623-H626 WeakPolarHBondContact O-CB 3.46Å; T623-H626 PolarHBondContact O-N 3.49Å; T623-H626 PolarHBondContact OG1-ND1 3.43Å; T623-Y627 PolarHBondContact O-N 3.46Å; T623-Y627 VanDerWaalsContact O-N 3.13Å; T623-I649 HydrophobicContact CG2-CB 4.34Å; T623-I649 HydrophobicContact CG2-CD1 4.2Å; T623-I649 HydrophobicContact CG2-CG2 3.86Å
624	A	96.6	Very high	95.1	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-57.3	-33.8	176	0	0	0	0	0	113	L589 H590 Y627 C628 L640	L589-A624 HydrophobicContact CD2-CB 3.79Å; L589-A624 HydrophobicContact CG-CB 3.79Å; H590-A624 PolarHBondContact NE2-N 3.09Å; H590-A624 VanDerWaalsContact NE2-N 3.17Å; A624-Y627 WeakPolarHBondContact O-CB 3.5Å; A624-Y627 PolarHBondContact O-N 3.5Å; A624-C628 PolarHBondContact O-N 3.37Å; A624-C628 PolarHBondContact O-SG 2.91Å; A624-C628 VanDerWaalsContact O-SG 3.42Å; A624-L640 HydrophobicContact CB-CD1 3.83Å; A624-L640 HydrophobicContact CB-CD2 4.24Å
625	L	97.3	Very high	95.2	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-63.9	-40.9	173.3	-71.9	170.8	0	0	0	112.2	T623 Y627 C628 C629 L637 L640 L641 A645 S646 I647 P657	T623-L625 PolarHBondContact O-N 3.4Å; L625-Y627 VanDerWaalsContact C-N 3.26Å; L625-Y627 PolarHBondContact O-N 3.47Å; L625-C628 WeakPolarHBondContact O-CB 3.29Å; L625-C628 PolarHBondContact O-N 3.3Å; L625-C629 PolarHBondContact O-N 3.17Å; L625-C629 PolarHBondContact O-SG 3.44Å; L625-C629 VanDerWaalsContact O-SG 3.34Å; L625-L637 HydrophobicContact CD2-CD1 3.61Å; L625-L640 HydrophobicContact CD2-CB 3.56Å; L625-L640 HydrophobicContact CD2-CD1 3.85Å; L625-L640 HydrophobicContact CD2-CG 4.37Å; L625-L640 HydrophobicContact CG-CB 4.3Å; L625-L640 HydrophobicContact CG-CD1 4.17Å; L625-L641 HydrophobicContact CD2-CD2 4.38Å; L625-L641 HydrophobicContact CD2-CG 4.46Å; L625-A645 HydrophobicContact CD1-CB 3.64Å; L625-A645 HydrophobicContact CD2-CB 4.37Å; L625-A645 HydrophobicContact CG-CB 3.94Å; L625-S646 VanDerWaalsContact CD1-O 3.25Å; L625-S646 WeakPolarHBondContact CD1-O 3.46Å; L625-I647 HydrophobicContact CD1-CG2 4.02Å; L625-P657 HydrophobicContact CB-CB 4.07Å; L625-P657 HydrophobicContact CB-CG 3.71Å
626	H	97.6	Very high	95.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.4	-40.1	173.4	-64.6	77.1	0	0	0	110.6	T623 C629 L630 I649 E655 I660	T623-H626 PolarHBondContact N-ND1 3Å; T623-H626 WeakPolarHBondContact O-CB 3.46Å; T623-H626 PolarHBondContact O-N 3.49Å; T623-H626 PolarHBondContact OG1-ND1 3.43Å; H626-C629 CarbonylContact O-C 3.59Å; H626-C629 PolarHBondContact O-N 3.36Å; H626-L630 WeakPolarHBondContact O-CB 3.48Å; H626-L630 VanDerWaalsContact O-CG 3.26Å; H626-L630 WeakPolarHBondContact O-CG 3.32Å; H626-L630 PolarHBondContact O-N 3.43Å; H626-I649 PolarHBondContact CE1-O 2.97Å; H626-I649 PolarHBondContact NE2-O 3.36Å; H626-E655 PolarHBondContact NE2-O 2.95Å; H626-E655 VanDerWaalsContact NE2-O 3.14Å; H626-I660 HydrophobicContact CB-CD1 4.09Å
627	Y	96.3	Very high	95.3	Very high	18 Å²	18	28 Å²	28	7%	0.071	16%	0.155	C	C	.	.	H	α-helix	trans	-64.7	-42.2	177.9	-86.8	-127.9	0	0	0	111.7	E586 H590 R594 T618 T623 A624 L625 C629 L630 T631	E586-Y627 HydrophobicContact CG-CE1 4.47Å; H590-Y627 HydrophobicContact CB-CD1 4.24Å; H590-Y627 HydrophobicContact CB-CE1 4.27Å; H590-Y627 AromaticContact CD2-CD2 3.83Å; H590-Y627 AromaticContact CD2-CE2 3.98Å; R594-Y627 HydrophobicContact CB-CD1 4.3Å; T618-Y627 HydrophobicContact CG2-CE2 4.26Å; T623-Y627 PolarHBondContact O-N 3.46Å; T623-Y627 VanDerWaalsContact O-N 3.13Å; A624-Y627 WeakPolarHBondContact O-CB 3.5Å; A624-Y627 PolarHBondContact O-N 3.5Å; L625-Y627 VanDerWaalsContact C-N 3.26Å; L625-Y627 PolarHBondContact O-N 3.47Å; Y627-C629 VanDerWaalsContact C-N 3.32Å; Y627-C629 PolarHBondContact O-N 3.48Å; Y627-L630 HydrophobicContact CD2-CD1 4.42Å; Y627-L630 PolarHBondContact O-N 3.25Å; Y627-T631 PolarHBondContact O-N 3.02Å; Y627-T631 VanDerWaalsContact O-N 3.08Å; Y627-T631 PolarHBondContact O-OG1 3.16Å; Y627-T631 VanDerWaalsContact O-OG1 3.05Å
628	C	97.1	Very high	95.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-57.4	-45	171.4	-64.9	0	0	0	0	111.9	V593 A624 L625 L630 T631 D632 N633 C636 L637 L640	V593-C628 HydrophobicContact CG1-CB 4.4Å; V593-C628 WeakPolarHBondContact CG1-SG 3.13Å; A624-C628 PolarHBondContact O-N 3.37Å; A624-C628 PolarHBondContact O-SG 2.91Å; A624-C628 VanDerWaalsContact O-SG 3.42Å; L625-C628 WeakPolarHBondContact O-CB 3.29Å; L625-C628 PolarHBondContact O-N 3.3Å; C628-L630 VanDerWaalsContact C-N 3.32Å; C628-L630 PolarHBondContact O-N 3.01Å; C628-T631 PolarHBondContact O-N 3.07Å; C628-D632 PolarHBondContact O-N 2.92Å; C628-D632 VanDerWaalsContact O-N 3.08Å; C628-N633 PolarHBondContact O-N 2.87Å; C628-C636 WeakPolarHBondContact SG-CB 3.35Å; C628-L637 HydrophobicContact CB-CB 4.08Å; C628-L637 HydrophobicContact CB-CD1 3.76Å; C628-L640 VanDerWaalsContact SG-CD1 3.56Å
629	C	97.6	Very high	95.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-72.1	-23.3	179.5	-63.6	0	0	0	0	113.5	L625 H626 Y627 P657 I660 A661 H666	L625-C629 PolarHBondContact O-N 3.17Å; L625-C629 PolarHBondContact O-SG 3.44Å; L625-C629 VanDerWaalsContact O-SG 3.34Å; H626-C629 CarbonylContact O-C 3.59Å; H626-C629 PolarHBondContact O-N 3.36Å; Y627-C629 VanDerWaalsContact C-N 3.32Å; Y627-C629 PolarHBondContact O-N 3.48Å; C629-P657 HydrophobicContact CB-CB 4.49Å; C629-P657 VanDerWaalsContact CB-O 3.3Å; C629-P657 WeakPolarHBondContact CB-O 3.41Å; C629-P657 PolarHBondContact SG-O 3.38Å; C629-P657 VanDerWaalsContact SG-O 3.32Å; C629-I660 HydrophobicContact CB-CB 4.17Å; C629-I660 HydrophobicContact CB-CG2 3.95Å; C629-A661 HydrophobicContact CB-CB 4.29Å; C629-H666 PolarHBondContact O-CE1 3.41Å; C629-H666 PolarHBondContact O-ND1 2.92Å
630	L	95.1	Very high	95.7	Very high	75 Å²	75	21.9 Å²	21.9	39%	0.393	12%	0.115	S	C	.	.	H	α-helix	trans	-76.5	-31.3	172.1	-75.5	168.2	0	0	0	112.7	H626 Y627 C628 I660 L664	H626-L630 WeakPolarHBondContact O-CB 3.48Å; H626-L630 VanDerWaalsContact O-CG 3.26Å; H626-L630 WeakPolarHBondContact O-CG 3.32Å; H626-L630 PolarHBondContact O-N 3.43Å; Y627-L630 HydrophobicContact CD2-CD1 4.42Å; Y627-L630 PolarHBondContact O-N 3.25Å; C628-L630 VanDerWaalsContact C-N 3.32Å; C628-L630 PolarHBondContact O-N 3.01Å; L630-I660 HydrophobicContact CD2-CD1 4.19Å; L630-I660 HydrophobicContact CD2-CG2 3.73Å; L630-I660 HydrophobicContact CG-CD1 4.15Å; L630-I660 HydrophobicContact CG-CG2 3.95Å; L630-L664 HydrophobicContact CD2-CD1 4.28Å
631	T	93.1	Very high	95.9	Very high	70 Å²	70	17.4 Å²	17.4	43%	0.429	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	8.6	-175.3	62.4	0	0	0	0	114.7	Y627 C628 N633	Y627-T631 PolarHBondContact O-N 3.02Å; Y627-T631 VanDerWaalsContact O-N 3.08Å; Y627-T631 PolarHBondContact O-OG1 3.16Å; Y627-T631 VanDerWaalsContact O-OG1 3.05Å; C628-T631 PolarHBondContact O-N 3.07Å; T631-N633 VanDerWaalsContact C-N 3.25Å; T631-N633 PolarHBondContact O-N 3.29Å
632	D	94.9	Very high	95.9	Very high	72 Å²	72	19 Å²	19	39%	0.385	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	40.2	-171.5	-155.3	11	0	0	0	113.8	C628 S634 H666 C669	C628-D632 PolarHBondContact O-N 2.92Å; C628-D632 VanDerWaalsContact O-N 3.08Å; D632-S634 PolarHBondContact O-N 3.24Å; D632-H666 HydrophobicContact CB-CB 4.35Å; D632-H666 VanDerWaalsContact OD1-CB 3.29Å; D632-H666 WeakPolarHBondContact OD1-CB 3.32Å; D632-H666 IonicContact OD1-CG 3.14Å; D632-H666 IonicContact OD2-CD2 2.73Å; D632-H666 IonicContact OD2-CG 2.76Å; D632-C669 PolarHBondContact OD1-SG 3.1Å
633	N	93.9	Very high	95.7	Very high	34 Å²	34	20.2 Å²	20.2	18%	0.182	11%	0.113	C	C	.	.			trans	-94.8	74.8	-178.1	-150.6	-77.4	0	0	0	112.5	V596 C628 T631 E635 C636 L637	V596-N633 WeakPolarHBondContact CG1-ND2 3.45Å; C628-N633 PolarHBondContact O-N 2.87Å; T631-N633 VanDerWaalsContact C-N 3.25Å; T631-N633 PolarHBondContact O-N 3.29Å; N633-E635 PolarHBondContact O-N 3.38Å; N633-C636 HydrophobicContact CB-CB 4.33Å; N633-C636 PolarHBondContact O-N 2.93Å; N633-C636 VanDerWaalsContact OD1-CB 3.31Å; N633-C636 WeakPolarHBondContact OD1-CB 3.42Å; N633-C636 PolarHBondContact OD1-N 3.18Å; N633-C636 PolarHBondContact OD1-SG 3.45Å; N633-L637 WeakPolarHBondContact O-CB 3.35Å; N633-L637 PolarHBondContact O-N 3.03Å
634	S	95.4	Very high	95.5	Very high	10 Å²	10	29 Å²	29	7%	0.07	15%	0.151	C	C	.	.	H	α-helix	trans	-56.6	-31.2	175.6	54.2	0	0	0	0	113.7	D632 L637 K638 Q668	D632-S634 PolarHBondContact O-N 3.24Å; S634-L637 WeakPolarHBondContact O-CB 2.77Å; S634-L637 PolarHBondContact O-N 3.12Å; S634-K638 WeakPolarHBondContact O-CB 3.23Å; S634-K638 WeakPolarHBondContact O-CG 3.25Å; S634-K638 PolarHBondContact O-N 3.11Å; S634-Q668 VanDerWaalsContact CB-CD 3.44Å; S634-Q668 VanDerWaalsContact OG-CD 3.31Å; S634-Q668 PolarHBondContact OG-OE1 3.07Å
635	E	95.4	Very high	95.4	Very high	17 Å²	17	29.3 Å²	29.3	8%	0.079	15%	0.154	C	C	.	.	H	α-helix	trans	-74	-35.6	179.4	-57.5	-53.8	115.7	0	0	113.3	L601 N633 K638 L639 V687 E688	L601-E635 HydrophobicContact CD1-CB 4.02Å; L601-E635 HydrophobicContact CD2-CB 3.9Å; N633-E635 PolarHBondContact O-N 3.38Å; E635-K638 WeakPolarHBondContact O-CB 3.45Å; E635-K638 WeakPolarHBondContact OE1-CE 3.37Å; E635-K638 IonicContact OE1-NZ 3.72Å; E635-K638 PolarHBondContact OE1-NZ 3.26Å; E635-K638 IonicContact OE2-NZ 3.39Å; E635-K638 PolarHBondContact OE2-NZ 3.34Å; E635-L639 WeakPolarHBondContact O-CG 3.38Å; E635-L639 PolarHBondContact O-N 3.07Å; E635-V687 WeakPolarHBondContact OE2-CA 3.35Å; E635-E688 HydrophobicContact CG-CB 4.25Å; E635-E688 PolarHBondContact OE2-N 3.31Å
636	C	96.6	Very high	95.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-72.1	-36.8	168	-69.4	0	0	0	0	111.8	V593 V604 C628 N633 K638 L639 L640	V593-C636 HydrophobicContact CG1-CB 4.45Å; V593-C636 HydrophobicContact CG2-CB 4.1Å; V604-C636 HydrophobicContact CG1-CB 4.25Å; C628-C636 WeakPolarHBondContact SG-CB 3.35Å; N633-C636 HydrophobicContact CB-CB 4.33Å; N633-C636 PolarHBondContact O-N 2.93Å; N633-C636 VanDerWaalsContact OD1-CB 3.31Å; N633-C636 WeakPolarHBondContact OD1-CB 3.42Å; N633-C636 PolarHBondContact OD1-N 3.18Å; N633-C636 PolarHBondContact OD1-SG 3.45Å; C636-K638 PolarHBondContact O-N 3.48Å; C636-L639 PolarHBondContact O-N 2.88Å; C636-L640 WeakPolarHBondContact O-CG 3.48Å; C636-L640 PolarHBondContact O-N 2.94Å
637	L	96.8	Very high	95.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59	-46.2	175.9	-163.2	77.1	0	0	0	111.3	L625 C628 N633 S634 L639 L640 L641 C669 L672 L673	L625-L637 HydrophobicContact CD2-CD1 3.61Å; C628-L637 HydrophobicContact CB-CB 4.08Å; C628-L637 HydrophobicContact CB-CD1 3.76Å; N633-L637 WeakPolarHBondContact O-CB 3.35Å; N633-L637 PolarHBondContact O-N 3.03Å; S634-L637 WeakPolarHBondContact O-CB 2.77Å; S634-L637 PolarHBondContact O-N 3.12Å; L637-L639 VanDerWaalsContact C-N 3.34Å; L637-L639 PolarHBondContact O-N 2.99Å; L637-L640 PolarHBondContact O-N 2.93Å; L637-L641 HydrophobicContact CG-CD1 4.12Å; L637-L641 WeakPolarHBondContact O-CB 3.22Å; L637-L641 VanDerWaalsContact O-CG 3.26Å; L637-L641 WeakPolarHBondContact O-CG 3.21Å; L637-L641 PolarHBondContact O-N 3.46Å; L637-C669 HydrophobicContact CD2-CB 3.77Å; L637-L672 HydrophobicContact CD2-CB 3.96Å; L637-L672 HydrophobicContact CD2-CD1 4.08Å; L637-L673 HydrophobicContact CD1-CD2 4.5Å; L637-L673 HydrophobicContact CD2-CG 4.22Å
638	K	96.3	Very high	95.1	Very high	29 Å²	29	36.6 Å²	36.6	13%	0.126	20%	0.196	C	C	.	.	H	α-helix	trans	-49.2	-49.1	170.6	-87.5	177.4	-173.3	176.6	0	112.9	S634 E635 C636 R642 L672 V685 H686 V687	S634-K638 WeakPolarHBondContact O-CB 3.23Å; S634-K638 WeakPolarHBondContact O-CG 3.25Å; S634-K638 PolarHBondContact O-N 3.11Å; E635-K638 WeakPolarHBondContact O-CB 3.45Å; E635-K638 WeakPolarHBondContact OE1-CE 3.37Å; E635-K638 IonicContact OE1-NZ 3.72Å; E635-K638 PolarHBondContact OE1-NZ 3.26Å; E635-K638 IonicContact OE2-NZ 3.39Å; E635-K638 PolarHBondContact OE2-NZ 3.34Å; C636-K638 PolarHBondContact O-N 3.48Å; K638-R642 WeakPolarHBondContact O-CB 3.4Å; K638-R642 PolarHBondContact O-N 2.72Å; K638-L672 HydrophobicContact CG-CD1 4.06Å; K638-L672 HydrophobicContact CG-CD2 4.35Å; K638-V685 HydrophobicContact CB-CG1 3.72Å; K638-V685 HydrophobicContact CD-CG1 3.66Å; K638-V685 HydrophobicContact CG-CG1 3.65Å; K638-H686 PolarHBondContact NZ-O 3.42Å; K638-V687 HydrophobicContact CD-CG1 4.21Å
639	L	96.5	Very high	95.1	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	21%	0.206	C	C	.	.	H	α-helix	trans	-66.6	-47.5	-179.5	-67.7	171.8	0	0	0	111.6	L487 L601 V604 D605 E635 C636 L637 L641 R642 G643 V687	L487-L639 HydrophobicContact CD2-CD1 4.5Å; L601-L639 HydrophobicContact CB-CD1 4.39Å; L601-L639 HydrophobicContact CD2-CD1 4.11Å; V604-L639 HydrophobicContact CB-CD1 4.33Å; V604-L639 HydrophobicContact CG1-CD1 4.2Å; D605-L639 HydrophobicContact CB-CD1 4.06Å; D605-L639 HydrophobicContact CB-CD2 4.22Å; E635-L639 WeakPolarHBondContact O-CG 3.38Å; E635-L639 PolarHBondContact O-N 3.07Å; C636-L639 PolarHBondContact O-N 2.88Å; L637-L639 VanDerWaalsContact C-N 3.34Å; L637-L639 PolarHBondContact O-N 2.99Å; L639-L641 PolarHBondContact O-N 2.84Å; L639-R642 PolarHBondContact O-N 3.01Å; L639-G643 PolarHBondContact O-N 3.46Å; L639-V687 HydrophobicContact CD2-CG1 4.26Å; L639-V687 HydrophobicContact CG-CG1 4.45Å
640	L	96.4	Very high	95	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.6	-39	179.1	-68.7	172.2	0	0	0	112.7	L589 T608 A624 L625 C628 C636 L637 G643 K644 A645	L589-L640 HydrophobicContact CD1-CD2 4.21Å; L589-L640 HydrophobicContact CD2-CD2 3.87Å; L589-L640 HydrophobicContact CG-CD2 4.35Å; T608-L640 HydrophobicContact CG2-CD2 4.25Å; A624-L640 HydrophobicContact CB-CD1 3.83Å; A624-L640 HydrophobicContact CB-CD2 4.24Å; L625-L640 HydrophobicContact CD2-CB 3.56Å; L625-L640 HydrophobicContact CD2-CD1 3.85Å; L625-L640 HydrophobicContact CD2-CG 4.37Å; L625-L640 HydrophobicContact CG-CB 4.3Å; L625-L640 HydrophobicContact CG-CD1 4.17Å; C628-L640 VanDerWaalsContact SG-CD1 3.56Å; C636-L640 WeakPolarHBondContact O-CG 3.48Å; C636-L640 PolarHBondContact O-N 2.94Å; L637-L640 PolarHBondContact O-N 2.93Å; L640-G643 CarbonylContact O-C 3.31Å; L640-G643 WeakPolarHBondContact O-CA 3.3Å; L640-G643 PolarHBondContact O-N 2.94Å; L640-G643 VanDerWaalsContact O-N 3.16Å; L640-K644 PolarHBondContact O-N 3.33Å; L640-K644 VanDerWaalsContact O-N 3.1Å; L640-A645 HydrophobicContact CB-CB 4.13Å; L640-A645 WeakPolarHBondContact O-CB 3.37Å; L640-A645 PolarHBondContact O-N 3.43Å
641	L	95.7	Very high	95	Very high	14 Å²	14	38 Å²	38	7%	0.073	21%	0.21	C	C	.	.	H	α-helix	trans	-68.2	-39.3	175.2	-69.2	174.1	0	0	0	112	L625 L637 L639 G643 K644 I647 L672 L673 A676 F681	L625-L641 HydrophobicContact CD2-CD2 4.38Å; L625-L641 HydrophobicContact CD2-CG 4.46Å; L637-L641 HydrophobicContact CG-CD1 4.12Å; L637-L641 WeakPolarHBondContact O-CB 3.22Å; L637-L641 VanDerWaalsContact O-CG 3.26Å; L637-L641 WeakPolarHBondContact O-CG 3.21Å; L637-L641 PolarHBondContact O-N 3.46Å; L639-L641 PolarHBondContact O-N 2.84Å; L641-G643 PolarHBondContact O-N 3.05Å; L641-K644 PolarHBondContact O-N 3.36Å; L641-I647 HydrophobicContact CD2-CG2 3.48Å; L641-I647 VanDerWaalsContact CD2-CG2 3.48Å; L641-L672 HydrophobicContact CD1-CB 4.1Å; L641-L673 HydrophobicContact CD2-CD2 4.23Å; L641-A676 HydrophobicContact CD1-CB 4.44Å; L641-A676 HydrophobicContact CD2-CB 3.95Å; L641-F681 HydrophobicContact CB-CD1 4.3Å; L641-F681 HydrophobicContact CB-CD2 4.32Å; L641-F681 HydrophobicContact CB-CE1 3.75Å; L641-F681 HydrophobicContact CB-CE2 3.77Å; L641-F681 HydrophobicContact CB-CZ 3.46Å; L641-F681 VanDerWaalsContact CB-CZ 3.46Å; L641-F681 HydrophobicContact CD1-CD2 4.02Å; L641-F681 HydrophobicContact CD1-CE2 3.73Å; L641-F681 HydrophobicContact CD1-CZ 4.3Å; L641-F681 HydrophobicContact CG-CE2 4.42Å
642	R	93.3	Very high	95.1	Very high	45 Å²	45	41.8 Å²	41.8	17%	0.17	22%	0.223	C	C	.	.	H	α-helix	trans	-62.6	-31.9	169	178.5	175.9	160.2	-119.9	-21.3	111.8	S484 K638 L639 K644 F681 A683 V685	S484-R642 PolarHBondContact O-NH1 3.03Å; S484-R642 PolarHBondContact OG-NH1 2.73Å; K638-R642 WeakPolarHBondContact O-CB 3.4Å; K638-R642 PolarHBondContact O-N 2.72Å; L639-R642 PolarHBondContact O-N 3.01Å; R642-K644 VanDerWaalsContact C-N 3.27Å; R642-K644 PolarHBondContact O-N 3.12Å; R642-F681 HydrophobicContact CB-CE1 4.49Å; R642-A683 WeakPolarHBondContact CD-O 3.5Å; R642-V685 HydrophobicContact CB-CG2 4.33Å
643	G	91.2	Very high	95	Very high	34 Å²	34	42.1 Å²	42.1	35%	0.351	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-3.9	170.5	0	0	0	0	0	115.6	L614 L639 L640 L641	L614-G643 WeakPolarHBondContact CD1-O 3.35Å; L639-G643 PolarHBondContact O-N 3.46Å; L640-G643 CarbonylContact O-C 3.31Å; L640-G643 WeakPolarHBondContact O-CA 3.3Å; L640-G643 PolarHBondContact O-N 2.94Å; L640-G643 VanDerWaalsContact O-N 3.16Å; L641-G643 PolarHBondContact O-N 3.05Å
644	K	91.8	Very high	95.1	Very high	185 Å²	185	43.2 Å²	43.2	80%	0.804	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	34.3	-175.6	-53.3	-174.9	178.3	-175.1	0	115.4	L640 L641 R642	L640-K644 PolarHBondContact O-N 3.33Å; L640-K644 VanDerWaalsContact O-N 3.1Å; L641-K644 PolarHBondContact O-N 3.36Å; R642-K644 VanDerWaalsContact C-N 3.27Å; R642-K644 PolarHBondContact O-N 3.12Å
645	A	94.5	Very high	95.2	Very high	8 Å²	8	44.6 Å²	44.6	7%	0.066	26%	0.26	C	S	.	.			trans	-60.3	143.8	168.4	0	0	0	0	0	111.4	L614 D615 L625 L640	L614-A645 HydrophobicContact CB-CB 3.83Å; L614-A645 HydrophobicContact CD1-CB 3.93Å; D615-A645 WeakPolarHBondContact OD1-CA 3.2Å; L625-A645 HydrophobicContact CD1-CB 3.64Å; L625-A645 HydrophobicContact CD2-CB 4.37Å; L625-A645 HydrophobicContact CG-CB 3.94Å; L640-A645 HydrophobicContact CB-CB 4.13Å; L640-A645 WeakPolarHBondContact O-CB 3.37Å; L640-A645 PolarHBondContact O-N 3.43Å
646	S	94.6	Very high	95.3	Very high	37 Å²	37	45.2 Å²	45.2	26%	0.259	27%	0.265	S	S	.	.			trans	-78.8	122.8	-172.5	-177.1	0	0	0	0	113.2	D615 L625	D615-S646 PolarHBondContact OD1-N 2.89Å; D615-S646 WeakPolarHBondContact OD2-CB 3.46Å; D615-S646 PolarHBondContact OD2-N 2.65Å; L625-S646 VanDerWaalsContact CD1-O 3.25Å; L625-S646 WeakPolarHBondContact CD1-O 3.46Å
647	I	96.2	Very high	95.3	Very high	23 Å²	23	45.2 Å²	45.2	12%	0.118	27%	0.265	C	S	.	.	S	Bend	trans	-86.2	-12	-177.3	63	-169	0	0	0	113.7	L625 L641 L673 A676 L677	L625-I647 HydrophobicContact CD1-CG2 4.02Å; L641-I647 HydrophobicContact CD2-CG2 3.48Å; L641-I647 VanDerWaalsContact CD2-CG2 3.48Å; I647-L673 HydrophobicContact CB-CD2 4.06Å; I647-L673 HydrophobicContact CG2-CD2 3.51Å; I647-A676 HydrophobicContact CD1-CB 3.76Å; I647-L677 HydrophobicContact CD1-CB 4.47Å; I647-L677 HydrophobicContact CD1-CD2 3.67Å; I647-L677 HydrophobicContact CD1-CG 3.76Å; I647-L677 HydrophobicContact CG1-CD2 4.07Å
648	D	95.3	Very high	95.4	Very high	112 Å²	112	45.7 Å²	45.7	60%	0.599	27%	0.267	S	S	*	.	S	Bend	trans	-95.6	-5.1	-172.9	-57.2	-54.3	0	0	0	113.6	A650	D648-A650 PolarHBondContact O-N 3.02Å
649	I	96.3	Very high	95.4	Very high	39 Å²	39	47.2 Å²	47.2	20%	0.2	28%	0.277	C	S	.	.			trans	-71.3	129.1	178.7	-64.2	174.4	0	0	0	109.5	D615 Q617 T623 H626 P657	D615-I649 HydrophobicContact CB-CD1 3.57Å; Q617-I649 HydrophobicContact CG-CG2 4.13Å; Q617-I649 VanDerWaalsContact NE2-CG2 3.31Å; T623-I649 HydrophobicContact CG2-CB 4.34Å; T623-I649 HydrophobicContact CG2-CD1 4.2Å; T623-I649 HydrophobicContact CG2-CG2 3.86Å; H626-I649 PolarHBondContact CE1-O 2.97Å; H626-I649 PolarHBondContact NE2-O 3.36Å; I649-P657 WeakPolarHBondContact O-CD 3.4Å
650	A	96.3	Very high	95.5	Very high	45 Å²	45	47.1 Å²	47.1	37%	0.372	28%	0.277	S	S	.	.			trans	-100.7	148.2	173.9	0	0	0	0	0	112.2	Q617 D648 E655	Q617-A650 PolarHBondContact NE2-O 3.27Å; D648-A650 PolarHBondContact O-N 3.02Å; A650-E655 WeakPolarHBondContact CA-O 3.46Å
651	N	95.6	Very high	95.5	Very high	22 Å²	22	47.1 Å²	47.1	12%	0.118	28%	0.277	C	S	.	.			trans	-83.2	-179	173.5	70.5	15.2	0	0	0	112.9	K620 G621 A653 G654 E655	K620-N651 WeakPolarHBondContact O-CB 3.46Å; G621-N651 WeakPolarHBondContact O-CA 3.43Å; N651-A653 PolarHBondContact O-N 3.48Å; N651-A653 VanDerWaalsContact O-N 3.14Å; N651-A653 WeakPolarHBondContact OD1-CA 3.43Å; N651-A653 WeakPolarHBondContact OD1-CB 3.41Å; N651-A653 PolarHBondContact OD1-N 3.28Å; N651-G654 PolarHBondContact O-N 3.42Å; N651-G654 PolarHBondContact OD1-N 2.98Å; N651-E655 PolarHBondContact N-O 3.44Å; N651-E655 PolarHBondContact OD1-N 3Å; N651-E655 PolarHBondContact OD1-O 2.95Å
652	E	94.6	Very high	95.6	Very high	149 Å²	149	51.6 Å²	51.6	70%	0.696	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-23.7	177	-86.6	-168.4	141.7	0	0	114.3	K620 G654	K620-E652 WeakPolarHBondContact CA-OE2 3.41Å; K620-E652 HydrophobicContact CB-CB 4.38Å; K620-E652 HydrophobicContact CB-CG 4.38Å; K620-E652 WeakPolarHBondContact CB-OE2 3.23Å; K620-E652 WeakPolarHBondContact O-CB 3.49Å; K620-E652 PolarHBondContact O-N 3.45Å; E652-G654 VanDerWaalsContact C-N 3.27Å
653	A	93.4	Very high	95.8	Very high	79 Å²	79	55.2 Å²	55.2	65%	0.653	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-2.4	175.4	0	0	0	0	0	113	N651 E655	N651-A653 PolarHBondContact O-N 3.48Å; N651-A653 VanDerWaalsContact O-N 3.14Å; N651-A653 WeakPolarHBondContact OD1-CA 3.43Å; N651-A653 WeakPolarHBondContact OD1-CB 3.41Å; N651-A653 PolarHBondContact OD1-N 3.28Å; A653-E655 VanDerWaalsContact C-N 3.33Å; A653-E655 HydrophobicContact CB-CG 4.12Å
654	G	95.3	Very high	96	Very high	56 Å²	56	56.7 Å²	56.7	58%	0.577	31%	0.306	S	S	*	.	S	Bend	trans	77.4	15.5	-175.3	0	0	0	0	0	113.9	N651 E652	N651-G654 PolarHBondContact O-N 3.42Å; N651-G654 PolarHBondContact OD1-N 2.98Å; E652-G654 VanDerWaalsContact C-N 3.27Å
655	E	96.9	Very high	96.2	Very high	40 Å²	40	56.3 Å²	56.3	19%	0.187	30%	0.304	C	S	.	.			trans	-95.8	134.3	-180	-54	-173.8	123.5	0	0	110.8	H626 A650 N651 A653 D659 I660 R663	H626-E655 PolarHBondContact NE2-O 2.95Å; H626-E655 VanDerWaalsContact NE2-O 3.14Å; A650-E655 WeakPolarHBondContact CA-O 3.46Å; N651-E655 PolarHBondContact N-O 3.44Å; N651-E655 PolarHBondContact OD1-N 3Å; N651-E655 PolarHBondContact OD1-O 2.95Å; A653-E655 VanDerWaalsContact C-N 3.33Å; A653-E655 HydrophobicContact CB-CG 4.12Å; E655-D659 HydrophobicContact CB-CB 4.17Å; E655-I660 HydrophobicContact CB-CG1 4.09Å; E655-R663 IonicContact OE1-CZ 2.65Å; E655-R663 IonicContact OE1-NE 2.66Å; E655-R663 PolarHBondContact OE1-NE 3.28Å; E655-R663 IonicContact OE1-NH2 2.68Å; E655-R663 PolarHBondContact OE1-NH2 3.02Å; E655-R663 IonicContact OE2-CZ 2.72Å; E655-R663 IonicContact OE2-NE 2.58Å; E655-R663 IonicContact OE2-NH2 3.03Å; E655-R663 PolarHBondContact OE2-NH2 3.42Å
656	T	97.8	Very high	96.4	Very high	30 Å²	30	57.6 Å²	57.6	18%	0.184	31%	0.309	C	S	.	.			trans	-81.5	169	164.5	68.2	0	0	0	0	110.9	L658 D659 I660	T656-L658 PolarHBondContact O-N 3.45Å; T656-L658 VanDerWaalsContact O-N 3.17Å; T656-L658 PolarHBondContact OG1-N 3.25Å; T656-D659 WeakPolarHBondContact CB-OD2 3.49Å; T656-D659 PolarHBondContact N-OD2 3.44Å; T656-D659 PolarHBondContact O-N 2.97Å; T656-D659 VanDerWaalsContact O-N 3.12Å; T656-D659 VanDerWaalsContact OG1-CG 3.29Å; T656-D659 PolarHBondContact OG1-N 2.96Å; T656-D659 PolarHBondContact OG1-OD2 2.97Å; T656-I660 PolarHBondContact O-N 2.93Å; T656-I660 VanDerWaalsContact O-N 3.14Å
657	P	97.8	Very high	96.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-53.2	-34.9	170.8	-25.8	34.5	0	0	0	113.1	L625 C629 I649 I660 A661 L673	L625-P657 HydrophobicContact CB-CB 4.07Å; L625-P657 HydrophobicContact CB-CG 3.71Å; C629-P657 HydrophobicContact CB-CB 4.49Å; C629-P657 VanDerWaalsContact CB-O 3.3Å; C629-P657 WeakPolarHBondContact CB-O 3.41Å; C629-P657 PolarHBondContact SG-O 3.38Å; C629-P657 VanDerWaalsContact SG-O 3.32Å; I649-P657 WeakPolarHBondContact O-CD 3.4Å; P657-I660 PolarHBondContact O-N 3.09Å; P657-A661 WeakPolarHBondContact O-CB 3.42Å; P657-A661 PolarHBondContact O-N 3.12Å; P657-L673 HydrophobicContact CB-CD1 4.06Å
658	L	97.4	Very high	96.3	Very high	9 Å²	9	62.6 Å²	62.6	5%	0.047	34%	0.339	C	S	.	.	H	α-helix	trans	-72.4	-35.7	179.9	178.7	55.6	0	0	0	112.5	T656 I660 A661 R662 E670 L673 L677	T656-L658 PolarHBondContact O-N 3.45Å; T656-L658 VanDerWaalsContact O-N 3.17Å; T656-L658 PolarHBondContact OG1-N 3.25Å; L658-I660 VanDerWaalsContact C-N 3.35Å; L658-A661 PolarHBondContact O-N 3.34Å; L658-R662 HydrophobicContact CD1-CG 4.38Å; L658-R662 WeakPolarHBondContact O-CB 3.43Å; L658-R662 WeakPolarHBondContact O-CG 3.32Å; L658-R662 PolarHBondContact O-N 2.93Å; L658-E670 HydrophobicContact CD1-CB 4.26Å; L658-E670 HydrophobicContact CD1-CG 3.92Å; L658-L673 HydrophobicContact CB-CB 4.37Å; L658-L673 HydrophobicContact CB-CD1 4.01Å; L658-L673 HydrophobicContact CD1-CB 3.96Å; L658-L673 HydrophobicContact CD1-CD1 4.4Å; L658-L677 HydrophobicContact CD2-CD1 3.33Å
659	D	97.6	Very high	96.3	Very high	62 Å²	62	57.2 Å²	57.2	33%	0.332	31%	0.311	S	S	.	.	H	α-helix	trans	-68.3	-37.6	174.9	-58.4	-53.4	0	0	0	111.2	E655 T656 R662 R663	E655-D659 HydrophobicContact CB-CB 4.17Å; T656-D659 WeakPolarHBondContact CB-OD2 3.49Å; T656-D659 PolarHBondContact N-OD2 3.44Å; T656-D659 PolarHBondContact O-N 2.97Å; T656-D659 VanDerWaalsContact O-N 3.12Å; T656-D659 VanDerWaalsContact OG1-CG 3.29Å; T656-D659 PolarHBondContact OG1-N 2.96Å; T656-D659 PolarHBondContact OG1-OD2 2.97Å; D659-R662 PolarHBondContact O-N 3.39Å; D659-R663 VanDerWaalsContact O-CB 3.23Å; D659-R663 WeakPolarHBondContact O-CB 3.38Å; D659-R663 PolarHBondContact O-N 3.07Å
660	I	97.1	Very high	96.3	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-61.2	-49.5	170.3	-63.7	-175	0	0	0	110.6	H626 C629 L630 E655 T656 P657 L658 R662 R663 L664	H626-I660 HydrophobicContact CB-CD1 4.09Å; C629-I660 HydrophobicContact CB-CB 4.17Å; C629-I660 HydrophobicContact CB-CG2 3.95Å; L630-I660 HydrophobicContact CD2-CD1 4.19Å; L630-I660 HydrophobicContact CD2-CG2 3.73Å; L630-I660 HydrophobicContact CG-CD1 4.15Å; L630-I660 HydrophobicContact CG-CG2 3.95Å; E655-I660 HydrophobicContact CB-CG1 4.09Å; T656-I660 PolarHBondContact O-N 2.93Å; T656-I660 VanDerWaalsContact O-N 3.14Å; P657-I660 PolarHBondContact O-N 3.09Å; L658-I660 VanDerWaalsContact C-N 3.35Å; I660-R662 VanDerWaalsContact C-N 3.32Å; I660-R662 PolarHBondContact O-N 3.38Å; I660-R663 PolarHBondContact O-N 3.38Å; I660-L664 HydrophobicContact CG2-CD1 3.84Å; I660-L664 HydrophobicContact CG2-CG 4.43Å; I660-L664 WeakPolarHBondContact O-CB 3.49Å; I660-L664 WeakPolarHBondContact O-CG 3.4Å; I660-L664 PolarHBondContact O-N 3.46Å
661	A	97.7	Very high	96.3	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.5	-43.7	179.9	0	0	0	0	0	111.8	C629 P657 L658 K665 H666 C669 E670 L673	C629-A661 HydrophobicContact CB-CB 4.29Å; P657-A661 WeakPolarHBondContact O-CB 3.42Å; P657-A661 PolarHBondContact O-N 3.12Å; L658-A661 PolarHBondContact O-N 3.34Å; A661-K665 CarbonylContact O-C 3.55Å; A661-K665 WeakPolarHBondContact O-CA 3.32Å; A661-K665 PolarHBondContact O-N 3.12Å; A661-H666 PolarHBondContact O-N 2.71Å; A661-C669 HydrophobicContact CB-CB 4.08Å; A661-E670 HydrophobicContact CB-CB 4.27Å; A661-L673 HydrophobicContact CB-CD1 4.49Å
662	R	97.4	Very high	96.3	Very high	108 Å²	108	60.2 Å²	60.2	41%	0.408	32%	0.316	S	S	.	.	H	α-helix	trans	-63.3	-48	174.2	-78	168.8	175.6	152.3	6.5	113	L658 D659 I660 L664 K665 E670 N674	L658-R662 HydrophobicContact CD1-CG 4.38Å; L658-R662 WeakPolarHBondContact O-CB 3.43Å; L658-R662 WeakPolarHBondContact O-CG 3.32Å; L658-R662 PolarHBondContact O-N 2.93Å; D659-R662 PolarHBondContact O-N 3.39Å; I660-R662 VanDerWaalsContact C-N 3.32Å; I660-R662 PolarHBondContact O-N 3.38Å; R662-L664 VanDerWaalsContact C-N 3.3Å; R662-L664 PolarHBondContact O-N 2.95Å; R662-K665 PolarHBondContact O-N 2.97Å; R662-E670 VanDerWaalsContact CG-CD 3.41Å; R662-E670 HydrophobicContact CG-CG 4.43Å; R662-E670 VanDerWaalsContact CG-OE1 3.25Å; R662-E670 WeakPolarHBondContact CG-OE1 3.29Å; R662-E670 WeakPolarHBondContact CG-OE2 3.29Å; R662-E670 IonicContact CZ-OE1 2.71Å; R662-E670 IonicContact NE-OE1 2.63Å; R662-E670 PolarHBondContact NE-OE1 3.31Å; R662-E670 IonicContact NH2-OE1 3.07Å; R662-N674 PolarHBondContact NH2-OD1 2.74Å
663	R	97.1	Very high	96.4	Very high	120 Å²	120	53.2 Å²	53.2	45%	0.453	28%	0.283	S	S	.	.	H	α-helix	trans	-61.9	-37.8	-179.3	177.1	171.3	50.9	62.3	-7.6	112	E655 D659 I660	E655-R663 IonicContact OE1-CZ 2.65Å; E655-R663 IonicContact OE1-NE 2.66Å; E655-R663 PolarHBondContact OE1-NE 3.28Å; E655-R663 IonicContact OE1-NH2 2.68Å; E655-R663 PolarHBondContact OE1-NH2 3.02Å; E655-R663 IonicContact OE2-CZ 2.72Å; E655-R663 IonicContact OE2-NE 2.58Å; E655-R663 IonicContact OE2-NH2 3.03Å; E655-R663 PolarHBondContact OE2-NH2 3.42Å; D659-R663 VanDerWaalsContact O-CB 3.23Å; D659-R663 WeakPolarHBondContact O-CB 3.38Å; D659-R663 PolarHBondContact O-N 3.07Å; I660-R663 PolarHBondContact O-N 3.38Å
664	L	96.5	Very high	96.5	Very high	65 Å²	65	51.8 Å²	51.8	34%	0.34	26%	0.264	S	S	.	.	H	α-helix	trans	-88.7	-10.2	177.9	-61.3	179.6	0	0	0	113.6	L630 I660 R662 H666	L630-L664 HydrophobicContact CD2-CD1 4.28Å; I660-L664 HydrophobicContact CG2-CD1 3.84Å; I660-L664 HydrophobicContact CG2-CG 4.43Å; I660-L664 WeakPolarHBondContact O-CB 3.49Å; I660-L664 WeakPolarHBondContact O-CG 3.4Å; I660-L664 PolarHBondContact O-N 3.46Å; R662-L664 VanDerWaalsContact C-N 3.3Å; R662-L664 PolarHBondContact O-N 2.95Å; L664-H666 VanDerWaalsContact C-N 3.33Å
665	K	95.8	Very high	96.4	Very high	177 Å²	177	52.1 Å²	52.1	77%	0.77	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	32.7	-176.4	-50.3	177.7	-176.8	175.4	0	114.1	A661 R662 A667	A661-K665 CarbonylContact O-C 3.55Å; A661-K665 WeakPolarHBondContact O-CA 3.32Å; A661-K665 PolarHBondContact O-N 3.12Å; R662-K665 PolarHBondContact O-N 2.97Å; K665-A667 VanDerWaalsContact C-N 3.25Å; K665-A667 PolarHBondContact O-N 2.89Å
666	H	97.4	Very high	96.2	Very high	35 Å²	35	51.3 Å²	51.3	16%	0.162	25%	0.251	C	S	.	.			trans	-74.9	76.7	176.3	-68.4	169.9	0	0	0	109.9	C629 D632 A661 L664 Q668 C669 E670	C629-H666 PolarHBondContact O-CE1 3.41Å; C629-H666 PolarHBondContact O-ND1 2.92Å; D632-H666 HydrophobicContact CB-CB 4.35Å; D632-H666 VanDerWaalsContact OD1-CB 3.29Å; D632-H666 WeakPolarHBondContact OD1-CB 3.32Å; D632-H666 IonicContact OD1-CG 3.14Å; D632-H666 IonicContact OD2-CD2 2.73Å; D632-H666 IonicContact OD2-CG 2.76Å; A661-H666 PolarHBondContact O-N 2.71Å; L664-H666 VanDerWaalsContact C-N 3.33Å; H666-Q668 VanDerWaalsContact C-N 3.34Å; H666-Q668 PolarHBondContact O-N 2.99Å; H666-C669 HydrophobicContact CB-CB 4.07Å; H666-C669 WeakPolarHBondContact O-CA 3.37Å; H666-C669 WeakPolarHBondContact O-CB 3.38Å; H666-C669 PolarHBondContact O-N 3.21Å; H666-E670 PolarHBondContact O-N 2.63Å
667	A	94.8	Very high	96	Very high	69 Å²	69	54.3 Å²	54.3	57%	0.57	27%	0.266	S	S	*	.	H	α-helix	trans	-60.7	-35.7	-163.6	0	0	0	0	0	114.3	K665 E670 E671	K665-A667 VanDerWaalsContact C-N 3.25Å; K665-A667 PolarHBondContact O-N 2.89Å; A667-E670 PolarHBondContact O-N 2.92Å; A667-E671 WeakPolarHBondContact O-CB 3.37Å; A667-E671 PolarHBondContact O-N 3.16Å
668	Q	93.6	Very high	95.7	Very high	96 Å²	96	57 Å²	57	45%	0.449	29%	0.288	S	S	.	.	H	α-helix	trans	-70.4	-36.6	176.4	-163.7	-176.8	14.7	0	0	111.2	S634 H666 L672	S634-Q668 VanDerWaalsContact CB-CD 3.44Å; S634-Q668 VanDerWaalsContact OG-CD 3.31Å; S634-Q668 PolarHBondContact OG-OE1 3.07Å; H666-Q668 VanDerWaalsContact C-N 3.34Å; H666-Q668 PolarHBondContact O-N 2.99Å; Q668-L672 HydrophobicContact CG-CD1 4.37Å; Q668-L672 WeakPolarHBondContact O-CD1 3.37Å; Q668-L672 VanDerWaalsContact O-CG 3.25Å; Q668-L672 WeakPolarHBondContact O-CG 3.49Å; Q668-L672 PolarHBondContact O-N 2.97Å; Q668-L672 VanDerWaalsContact O-N 3.15Å
669	C	96.1	Very high	95.3	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-66.9	-41.9	173.8	-64.5	0	0	0	0	111.7	D632 L637 A661 H666 L673	D632-C669 PolarHBondContact OD1-SG 3.1Å; L637-C669 HydrophobicContact CD2-CB 3.77Å; A661-C669 HydrophobicContact CB-CB 4.08Å; H666-C669 HydrophobicContact CB-CB 4.07Å; H666-C669 WeakPolarHBondContact O-CA 3.37Å; H666-C669 WeakPolarHBondContact O-CB 3.38Å; H666-C669 PolarHBondContact O-N 3.21Å; C669-L673 WeakPolarHBondContact O-CB 3.45Å; C669-L673 WeakPolarHBondContact O-CG 3.2Å; C669-L673 PolarHBondContact O-N 2.76Å; C669-L673 VanDerWaalsContact O-N 3.15Å
670	E	96.9	Very high	94.9	Very high	52 Å²	52	64.8 Å²	64.8	24%	0.243	34%	0.339	C	S	.	.	H	α-helix	trans	-62.2	-45.7	174.7	168.2	158.7	-151.8	0	0	112	L658 A661 R662 H666 A667 L672 L673 N674	L658-E670 HydrophobicContact CD1-CB 4.26Å; L658-E670 HydrophobicContact CD1-CG 3.92Å; A661-E670 HydrophobicContact CB-CB 4.27Å; R662-E670 VanDerWaalsContact CG-CD 3.41Å; R662-E670 HydrophobicContact CG-CG 4.43Å; R662-E670 VanDerWaalsContact CG-OE1 3.25Å; R662-E670 WeakPolarHBondContact CG-OE1 3.29Å; R662-E670 WeakPolarHBondContact CG-OE2 3.29Å; R662-E670 IonicContact CZ-OE1 2.71Å; R662-E670 IonicContact NE-OE1 2.63Å; R662-E670 PolarHBondContact NE-OE1 3.31Å; R662-E670 IonicContact NH2-OE1 3.07Å; H666-E670 PolarHBondContact O-N 2.63Å; A667-E670 PolarHBondContact O-N 2.92Å; E670-L672 PolarHBondContact O-N 2.82Å; E670-L673 PolarHBondContact O-N 3.17Å; E670-N674 WeakPolarHBondContact CG-ND2 3.34Å; E670-N674 WeakPolarHBondContact O-CB 3.29Å; E670-N674 VanDerWaalsContact O-CG 3.29Å; E670-N674 PolarHBondContact O-N 3.02Å; E670-N674 PolarHBondContact O-ND2 3.46Å
671	E	95.8	Very high	94.5	Very high	98 Å²	98	66.7 Å²	66.7	46%	0.458	35%	0.347	S	S	.	.	H	α-helix	trans	-61.6	-45.8	179.3	178.3	56.7	-156.4	0	0	112	A667 L673 N674 Q675	A667-E671 WeakPolarHBondContact O-CB 3.37Å; A667-E671 PolarHBondContact O-N 3.16Å; E671-L673 VanDerWaalsContact C-N 3.32Å; E671-L673 PolarHBondContact O-N 2.91Å; E671-N674 PolarHBondContact O-N 3.07Å; E671-Q675 WeakPolarHBondContact O-CG 3.45Å; E671-Q675 PolarHBondContact O-N 3.09Å; E671-Q675 PolarHBondContact OE1-NE2 3.3Å
672	L	95.4	Very high	93.8	Very high	19 Å²	19	71.7 Å²	71.7	10%	0.099	37%	0.374	C	S	.	.	H	α-helix	trans	-61.7	-38.6	178.1	-69.8	167.1	0	0	0	112.3	L637 K638 L641 Q668 E670 Q675 A676 F681	L637-L672 HydrophobicContact CD2-CB 3.96Å; L637-L672 HydrophobicContact CD2-CD1 4.08Å; K638-L672 HydrophobicContact CG-CD1 4.06Å; K638-L672 HydrophobicContact CG-CD2 4.35Å; L641-L672 HydrophobicContact CD1-CB 4.1Å; Q668-L672 HydrophobicContact CG-CD1 4.37Å; Q668-L672 WeakPolarHBondContact O-CD1 3.37Å; Q668-L672 VanDerWaalsContact O-CG 3.25Å; Q668-L672 WeakPolarHBondContact O-CG 3.49Å; Q668-L672 PolarHBondContact O-N 2.97Å; Q668-L672 VanDerWaalsContact O-N 3.15Å; E670-L672 PolarHBondContact O-N 2.82Å; L672-Q675 PolarHBondContact O-N 3.14Å; L672-A676 PolarHBondContact O-N 3.4Å; L672-F681 HydrophobicContact CD2-CE2 4.13Å
673	L	96.5	Very high	93	Very high	2 Å²	2	69.5 Å²	69.5	1%	0.01	38%	0.379	C	S	.	.	H	α-helix	trans	-73.1	-38.7	176.4	-73.4	168.6	0	0	0	112.7	L637 L641 I647 P657 L658 A661 C669 E670 E671 Q675 A676 L677	L637-L673 HydrophobicContact CD1-CD2 4.5Å; L637-L673 HydrophobicContact CD2-CG 4.22Å; L641-L673 HydrophobicContact CD2-CD2 4.23Å; I647-L673 HydrophobicContact CB-CD2 4.06Å; I647-L673 HydrophobicContact CG2-CD2 3.51Å; P657-L673 HydrophobicContact CB-CD1 4.06Å; L658-L673 HydrophobicContact CB-CB 4.37Å; L658-L673 HydrophobicContact CB-CD1 4.01Å; L658-L673 HydrophobicContact CD1-CB 3.96Å; L658-L673 HydrophobicContact CD1-CD1 4.4Å; A661-L673 HydrophobicContact CB-CD1 4.49Å; C669-L673 WeakPolarHBondContact O-CB 3.45Å; C669-L673 WeakPolarHBondContact O-CG 3.2Å; C669-L673 PolarHBondContact O-N 2.76Å; C669-L673 VanDerWaalsContact O-N 3.15Å; E670-L673 PolarHBondContact O-N 3.17Å; E671-L673 VanDerWaalsContact C-N 3.32Å; E671-L673 PolarHBondContact O-N 2.91Å; L673-Q675 VanDerWaalsContact C-N 3.31Å; L673-Q675 PolarHBondContact O-N 3.05Å; L673-A676 PolarHBondContact O-N 3.1Å; L673-L677 PolarHBondContact O-N 3.29Å
674	N	95.6	Very high	92.4	Very high	48 Å²	48	66.4 Å²	66.4	26%	0.257	37%	0.369	S	S	.	.	H	α-helix	trans	-63.1	-37.4	172.3	-74.1	-37.6	0	0	0	111.2	R662 E670 E671 A678	R662-N674 PolarHBondContact NH2-OD1 2.74Å; E670-N674 WeakPolarHBondContact CG-ND2 3.34Å; E670-N674 WeakPolarHBondContact O-CB 3.29Å; E670-N674 VanDerWaalsContact O-CG 3.29Å; E670-N674 PolarHBondContact O-N 3.02Å; E670-N674 PolarHBondContact O-ND2 3.46Å; E671-N674 PolarHBondContact O-N 3.07Å; N674-A678 WeakPolarHBondContact O-CB 3.33Å; N674-A678 PolarHBondContact O-N 3.31Å
675	Q	92.5	Very high	92	Very high	64 Å²	64	63.9 Å²	63.9	30%	0.299	36%	0.357	S	S	.	.	H	α-helix	trans	-65.6	-39.2	172.8	-72.8	177.9	17.5	0	0	112.3	E671 L672 L673 A678 G679 K680 F681	E671-Q675 WeakPolarHBondContact O-CG 3.45Å; E671-Q675 PolarHBondContact O-N 3.09Å; E671-Q675 PolarHBondContact OE1-NE2 3.3Å; L672-Q675 PolarHBondContact O-N 3.14Å; L673-Q675 VanDerWaalsContact C-N 3.31Å; L673-Q675 PolarHBondContact O-N 3.05Å; Q675-A678 PolarHBondContact O-N 3.04Å; Q675-G679 PolarHBondContact O-N 3.46Å; Q675-K680 PolarHBondContact O-N 3.38Å; Q675-F681 HydrophobicContact CB-CB 4.39Å; Q675-F681 PolarHBondContact O-N 3.11Å
676	A	93.3	Very high	91.8	Very high	23 Å²	23	58.5 Å²	58.5	19%	0.19	33%	0.334	C	S	.	.	H	α-helix	trans	-64.6	-51.5	175.8	0	0	0	0	0	111.6	L641 I647 L672 L673 A678 G679 F681	L641-A676 HydrophobicContact CD1-CB 4.44Å; L641-A676 HydrophobicContact CD2-CB 3.95Å; I647-A676 HydrophobicContact CD1-CB 3.76Å; L672-A676 PolarHBondContact O-N 3.4Å; L673-A676 PolarHBondContact O-N 3.1Å; A676-A678 PolarHBondContact O-N 3.28Å; A676-G679 PolarHBondContact O-N 3.48Å; A676-F681 HydrophobicContact CB-CB 4.27Å
677	L	92.9	Very high	91.5	Very high	93 Å²	93	57.2 Å²	57.2	49%	0.487	33%	0.329	S	S	.	.	H	α-helix	trans	-56.4	-35.9	174.3	-77	174	0	0	0	113	I647 L658 L673 G679	I647-L677 HydrophobicContact CD1-CB 4.47Å; I647-L677 HydrophobicContact CD1-CD2 3.67Å; I647-L677 HydrophobicContact CD1-CG 3.76Å; I647-L677 HydrophobicContact CG1-CD2 4.07Å; L658-L677 HydrophobicContact CD2-CD1 3.33Å; L673-L677 PolarHBondContact O-N 3.29Å; L677-G679 PolarHBondContact O-N 3.47Å
678	A	92.1	Very high	91.1	Very high	56 Å²	56	59 Å²	59	46%	0.463	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-1.7	178.6	0	0	0	0	0	114.2	N674 Q675 A676 K680	N674-A678 WeakPolarHBondContact O-CB 3.33Å; N674-A678 PolarHBondContact O-N 3.31Å; Q675-A678 PolarHBondContact O-N 3.04Å; A676-A678 PolarHBondContact O-N 3.28Å; A678-K680 HydrophobicContact CB-CB 4.37Å; A678-K680 HydrophobicContact CB-CD 3.93Å; A678-K680 HydrophobicContact CB-CG 4.09Å; A678-K680 PolarHBondContact O-N 3.02Å
679	G	89.3	Confident	91	Very high	73 Å²	73	55.7 Å²	55.7	75%	0.753	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	22.8	-173.1	0	0	0	0	0	113.8	Q675 A676 L677	Q675-G679 PolarHBondContact O-N 3.46Å; A676-G679 PolarHBondContact O-N 3.48Å; L677-G679 PolarHBondContact O-N 3.47Å
680	K	88.8	Confident	90.6	Very high	162 Å²	162	59.9 Å²	59.9	70%	0.704	33%	0.328	S	S	*	.			trans	-110.3	-7.6	-173.7	-69	175.2	-172.6	173.5	0	114.2	Q675 A678 N682	Q675-K680 PolarHBondContact O-N 3.38Å; A678-K680 HydrophobicContact CB-CB 4.37Å; A678-K680 HydrophobicContact CB-CD 3.93Å; A678-K680 HydrophobicContact CB-CG 4.09Å; A678-K680 PolarHBondContact O-N 3.02Å; K680-N682 PolarHBondContact O-N 3.47Å
681	F	88.8	Confident	90.1	Very high	41 Å²	41	58.3 Å²	58.3	18%	0.18	32%	0.32	C	S	.	.			trans	-59.7	119.9	177	-179.2	-92.5	0	0	0	110.5	L641 R642 L672 Q675 A676 V685	L641-F681 HydrophobicContact CB-CD1 4.3Å; L641-F681 HydrophobicContact CB-CD2 4.32Å; L641-F681 HydrophobicContact CB-CE1 3.75Å; L641-F681 HydrophobicContact CB-CE2 3.77Å; L641-F681 HydrophobicContact CB-CZ 3.46Å; L641-F681 VanDerWaalsContact CB-CZ 3.46Å; L641-F681 HydrophobicContact CD1-CD2 4.02Å; L641-F681 HydrophobicContact CD1-CE2 3.73Å; L641-F681 HydrophobicContact CD1-CZ 4.3Å; L641-F681 HydrophobicContact CG-CE2 4.42Å; R642-F681 HydrophobicContact CB-CE1 4.49Å; L672-F681 HydrophobicContact CD2-CE2 4.13Å; Q675-F681 HydrophobicContact CB-CB 4.39Å; Q675-F681 PolarHBondContact O-N 3.11Å; A676-F681 HydrophobicContact CB-CB 4.27Å; F681-V685 HydrophobicContact CE1-CG2 3.89Å; F681-V685 HydrophobicContact CZ-CG2 3.63Å
682	N	83.5	Confident	89.4	Confident	105 Å²	105	61.7 Å²	61.7	56%	0.561	33%	0.329	S	S	*	.			trans	-80.4	121.6	178.3	-176.5	3.9	0	0	0	110.1	K680 H684 V685	K680-N682 PolarHBondContact O-N 3.47Å; N682-H684 PolarHBondContact O-N 3.46Å; N682-H684 WeakPolarHBondContact OD1-CB 3.45Å; N682-H684 PolarHBondContact OD1-N 3.02Å; N682-V685 WeakPolarHBondContact O-CG2 3.31Å
683	A	79.5	Confident	88.7	Confident	61 Å²	61	63.3 Å²	63.3	50%	0.504	34%	0.338	S	S	.	.	S	Bend	trans	-68.4	-16.6	177.7	0	0	0	0	0	113.9	R642 V685	R642-A683 WeakPolarHBondContact CD-O 3.5Å; A683-V685 PolarHBondContact O-N 2.99Å; A683-V685 VanDerWaalsContact O-N 3.12Å
684	H	84.5	Confident	86.9	Confident	55 Å²	55	70.4 Å²	70.4	26%	0.255	37%	0.368	S	S	.	.	S	Bend	trans	-81.1	83	171.9	-171.3	86.9	0	0	0	109.8	V480 L481 S482 E485 N682 H686	V480-H684 PolarHBondContact O-CE1 3.46Å; V480-H684 PolarHBondContact O-ND1 2.87Å; L481-H684 VanDerWaalsContact C-CE1 3.42Å; S482-H684 PolarHBondContact N-CE1 3.23Å; E485-H684 IonicContact OE2-ND1 3.36Å; N682-H684 PolarHBondContact O-N 3.46Å; N682-H684 WeakPolarHBondContact OD1-CB 3.45Å; N682-H684 PolarHBondContact OD1-N 3.02Å; H684-H686 AromaticContact CD2-NE2 3.45Å; H684-H686 PolarHBondContact CD2-NE2 3.27Å; H684-H686 AromaticContact NE2-CE1 3.64Å; H684-H686 AromaticContact NE2-NE2 3.44Å; H684-H686 PolarHBondContact NE2-NE2 3.06Å
685	V	89.1	Confident	84.4	Confident	12 Å²	12	75.4 Å²	75.4	7%	0.073	39%	0.39	C	S	.	.			trans	-103.7	129.4	-167.6	-174.7	0	0	0	0	112.4	S482 S484 K638 R642 F681 N682 A683	S482-V685 VanDerWaalsContact CB-O 3.26Å; S482-V685 WeakPolarHBondContact CB-O 3.2Å; S482-V685 PolarHBondContact OG-O 3.35Å; S484-V685 WeakPolarHBondContact CB-O 3.28Å; S484-V685 PolarHBondContact N-O 2.98Å; S484-V685 PolarHBondContact OG-O 2.79Å; K638-V685 HydrophobicContact CB-CG1 3.72Å; K638-V685 HydrophobicContact CD-CG1 3.66Å; K638-V685 HydrophobicContact CG-CG1 3.65Å; R642-V685 HydrophobicContact CB-CG2 4.33Å; F681-V685 HydrophobicContact CE1-CG2 3.89Å; F681-V685 HydrophobicContact CZ-CG2 3.63Å; N682-V685 WeakPolarHBondContact O-CG2 3.31Å; A683-V685 PolarHBondContact O-N 2.99Å; A683-V685 VanDerWaalsContact O-N 3.12Å
686	H	90.8	Very high	81.6	Confident	64 Å²	64	78.8 Å²	78.8	30%	0.296	41%	0.406	S	S	.	.			trans	-96.6	135.5	171.7	-58.3	-81.7	0	0	0	111.6	V416 T483 K638 H684	V416-H686 WeakPolarHBondContact CG1-CE1 3.35Å; V416-H686 WeakPolarHBondContact CG1-ND1 3.39Å; T483-H686 PolarHBondContact N-ND1 2.93Å; T483-H686 VanDerWaalsContact OG1-CA 3.29Å; T483-H686 WeakPolarHBondContact OG1-CA 3.33Å; K638-H686 PolarHBondContact NZ-O 3.42Å; H684-H686 AromaticContact CD2-NE2 3.45Å; H684-H686 PolarHBondContact CD2-NE2 3.27Å; H684-H686 AromaticContact NE2-CE1 3.64Å; H684-H686 AromaticContact NE2-NE2 3.44Å; H684-H686 PolarHBondContact NE2-NE2 3.06Å
687	V	91.3	Very high	78.7	Confident	9 Å²	9	83.4 Å²	83.4	6%	0.055	43%	0.427	C	S	.	.			trans	-117.2	144.5	-176.6	-69.6	0	0	0	0	113.5	T483 L487 L601 E635 K638 L639 Y689 W691	T483-V687 PolarHBondContact OG1-N 3.18Å; L487-V687 HydrophobicContact CD2-CG2 4.47Å; L601-V687 HydrophobicContact CD1-CB 4.39Å; E635-V687 WeakPolarHBondContact OE2-CA 3.35Å; K638-V687 HydrophobicContact CD-CG1 4.21Å; L639-V687 HydrophobicContact CD2-CG1 4.26Å; L639-V687 HydrophobicContact CG-CG1 4.45Å; V687-Y689 PolarHBondContact O-N 2.93Å; V687-W691 HydrophobicContact CG2-CZ2 4.3Å
688	E	87.3	Confident	75.8	Confident	107 Å²	107	86.5 Å²	86.5	50%	0.5	44%	0.443	S	S	.	.			trans	-79.2	99.1	169.9	-74.7	-167.1	-162.7	0	0	110.8	R598 L601 E635	R598-E688 IonicContact CZ-OE2 3.89Å; R598-E688 IonicContact NE-OE2 3.25Å; R598-E688 IonicContact NH2-OE2 2.7Å; R598-E688 PolarHBondContact NH2-OE2 2.95Å; L601-E688 VanDerWaalsContact CD1-O 3.24Å; L601-E688 WeakPolarHBondContact CD1-O 3.47Å; E635-E688 HydrophobicContact CG-CB 4.25Å; E635-E688 PolarHBondContact OE2-N 3.31Å
689	Y	90.3	Very high	72.8	Confident	26 Å²	26	91.1 Å²	91.1	10%	0.102	46%	0.46	C	S	.	.			trans	-128.8	147.3	-180	-177	-108.4	0	0	0	111.3	L487 N491 R598 T599 L601 H602 V687 W691	L487-Y689 HydrophobicContact CD1-CD1 3.64Å; L487-Y689 HydrophobicContact CD1-CD2 3.82Å; L487-Y689 HydrophobicContact CD1-CE1 3.79Å; L487-Y689 HydrophobicContact CD1-CE2 3.93Å; L487-Y689 HydrophobicContact CD1-CG 3.66Å; N491-Y689 PolarHBondContact ND2-OH 2.91Å; N491-Y689 PolarHBondContact OD1-OH 2.71Å; R598-Y689 WeakPolarHBondContact O-CD2 3.24Å; T599-Y689 WeakPolarHBondContact O-CE2 3.5Å; T599-Y689 PolarHBondContact O-OH 3.37Å; L601-Y689 HydrophobicContact CB-CD2 3.92Å; L601-Y689 HydrophobicContact CB-CE2 4.36Å; L601-Y689 HydrophobicContact CD1-CD2 4.22Å; L601-Y689 HydrophobicContact CG-CD2 4.41Å; H602-Y689 AromaticContact ND1-CE2 3.9Å; H602-Y689 AromaticContact ND1-CZ 3.74Å; H602-Y689 PolarHBondContact ND1-OH 3.26Å; V687-Y689 PolarHBondContact O-N 2.93Å; Y689-W691 VanDerWaalsContact C-N 3.26Å; Y689-W691 AromaticContact CD1-CD2 3.72Å; Y689-W691 HydrophobicContact CD1-CD2 3.72Å; Y689-W691 AromaticContact CD1-CE2 3.9Å; Y689-W691 AromaticContact CD1-CE3 3.85Å; Y689-W691 HydrophobicContact CD1-CE3 3.85Å; Y689-W691 HydrophobicContact CD1-CG 4.1Å; Y689-W691 HydrophobicContact CD1-CH2 4.23Å; Y689-W691 HydrophobicContact CD1-CZ2 4.14Å; Y689-W691 HydrophobicContact CD1-CZ3 4.12Å; Y689-W691 HydrophobicContact CE1-CE3 4.37Å; Y689-W691 HydrophobicContact CG-CZ2 4.43Å; Y689-W691 PolarHBondContact O-N 2.87Å; Y689-W691 PolarHBondContact O-NE1 3.36Å
690	E	87.8	Confident	70	Confident	87 Å²	87	96.4 Å²	96.4	41%	0.407	47%	0.465	S	S	.	.			trans	-77.7	77.8	173.5	-165.9	-175.1	113.4	0	0	109.5	R598 T599 R692	R598-E690 HydrophobicContact CB-CB 4.48Å; R598-E690 WeakPolarHBondContact O-CB 3.33Å; R598-E690 PolarHBondContact O-N 2.82Å; T599-E690 HydrophobicContact CG2-CB 4.24Å; T599-E690 WeakPolarHBondContact CG2-OE2 3.31Å; E690-R692 HydrophobicContact CG-CG 4.2Å; E690-R692 PolarHBondContact O-N 2.7Å; E690-R692 IonicContact OE1-CZ 3.46Å; E690-R692 IonicContact OE1-NE 3.9Å; E690-R692 PolarHBondContact OE1-NE 2.73Å; E690-R692 IonicContact OE1-NH2 2.71Å; E690-R692 PolarHBondContact OE1-NH2 3.27Å
691	W	87.6	Confident	67.1	Low	20 Å²	20	94.1 Å²	94.1	8%	0.076	47%	0.47	C	S	.	.			trans	-58	-18.4	-170.9	-71.4	99.8	0	0	0	115.8	I423 T483 L487 K490 V687 Y689 L693	I423-W691 HydrophobicContact CB-CE3 4.44Å; I423-W691 HydrophobicContact CD1-CD2 3.44Å; I423-W691 VanDerWaalsContact CD1-CD2 3.44Å; I423-W691 HydrophobicContact CD1-CE3 3.64Å; I423-W691 HydrophobicContact CD1-CG 4.03Å; I423-W691 HydrophobicContact CD1-CH2 4.14Å; I423-W691 HydrophobicContact CD1-CZ2 3.94Å; I423-W691 HydrophobicContact CD1-CZ3 3.98Å; I423-W691 HydrophobicContact CG1-CD2 3.76Å; I423-W691 HydrophobicContact CG1-CE3 3.66Å; I423-W691 HydrophobicContact CG1-CG 4.16Å; I423-W691 HydrophobicContact CG1-CZ3 4.26Å; I423-W691 HydrophobicContact CG2-CE3 3.83Å; I423-W691 HydrophobicContact CG2-CZ3 3.77Å; T483-W691 WeakPolarHBondContact O-CH2 3.41Å; T483-W691 WeakPolarHBondContact O-CZ2 3.43Å; L487-W691 HydrophobicContact CB-CH2 4.06Å; L487-W691 HydrophobicContact CD1-CH2 3.84Å; L487-W691 HydrophobicContact CD1-CZ2 4.43Å; L487-W691 HydrophobicContact CD1-CZ3 4.28Å; K490-W691 HydrophobicContact CB-CE3 4.25Å; K490-W691 HydrophobicContact CB-CZ3 3.96Å; K490-W691 WeakPolarHBondContact CE-O 3.35Å; K490-W691 HydrophobicContact CG-CE3 4.01Å; K490-W691 HydrophobicContact CG-CZ3 4.23Å; V687-W691 HydrophobicContact CG2-CZ2 4.3Å; Y689-W691 VanDerWaalsContact C-N 3.26Å; Y689-W691 AromaticContact CD1-CD2 3.72Å; Y689-W691 HydrophobicContact CD1-CD2 3.72Å; Y689-W691 AromaticContact CD1-CE2 3.9Å; Y689-W691 AromaticContact CD1-CE3 3.85Å; Y689-W691 HydrophobicContact CD1-CE3 3.85Å; Y689-W691 HydrophobicContact CD1-CG 4.1Å; Y689-W691 HydrophobicContact CD1-CH2 4.23Å; Y689-W691 HydrophobicContact CD1-CZ2 4.14Å; Y689-W691 HydrophobicContact CD1-CZ3 4.12Å; Y689-W691 HydrophobicContact CE1-CE3 4.37Å; Y689-W691 HydrophobicContact CG-CZ2 4.43Å; Y689-W691 PolarHBondContact O-N 2.87Å; Y689-W691 PolarHBondContact O-NE1 3.36Å; W691-L693 HydrophobicContact CB-CD1 4.41Å; W691-L693 HydrophobicContact CB-CD2 4.07Å; W691-L693 HydrophobicContact CB-CG 3.8Å; W691-L693 PolarHBondContact O-N 3.41Å; W691-L693 VanDerWaalsContact O-N 3.07Å
692	R	80.9	Confident	64.7	Low	168 Å²	168	99.1 Å²	99.1	63%	0.634	50%	0.498	S	S	*	.			trans	40.1	48	-175.4	-65	-178.3	-175.5	156.4	7.7	111.7	E690 K694	E690-R692 HydrophobicContact CG-CG 4.2Å; E690-R692 PolarHBondContact O-N 2.7Å; E690-R692 IonicContact OE1-CZ 3.46Å; E690-R692 IonicContact OE1-NE 3.9Å; E690-R692 PolarHBondContact OE1-NE 2.73Å; E690-R692 IonicContact OE1-NH2 2.71Å; E690-R692 PolarHBondContact OE1-NH2 3.27Å; R692-K694 PolarHBondContact O-N 3.39Å
693	L	80.9	Confident	62.3	Low	54 Å²	54	102.5 Å²	102.5	28%	0.283	51%	0.511	S	S	.	.			trans	-65.3	131.7	170.6	-56.8	-179.1	0	0	0	106.7	L419 A422 I423 E426 W691 H695	L419-L693 HydrophobicContact CD1-CD1 4.03Å; A422-L693 HydrophobicContact CB-CD1 3.76Å; I423-L693 HydrophobicContact CB-CD2 4.47Å; I423-L693 HydrophobicContact CG1-CD1 4.2Å; I423-L693 HydrophobicContact CG1-CD2 3.99Å; E426-L693 HydrophobicContact CB-CD2 3.93Å; E426-L693 HydrophobicContact CG-CD2 4.06Å; W691-L693 HydrophobicContact CB-CD1 4.41Å; W691-L693 HydrophobicContact CB-CD2 4.07Å; W691-L693 HydrophobicContact CB-CG 3.8Å; W691-L693 PolarHBondContact O-N 3.41Å; W691-L693 VanDerWaalsContact O-N 3.07Å; L693-H695 PolarHBondContact O-N 3.1Å
694	K	58.9	Low	60.4	Low	151 Å²	151	107 Å²	107	66%	0.657	53%	0.526	S	S	*	.			trans	-62.3	112.3	165.1	-64.8	-176.1	-179.6	-175.7	0	107	R692 E696	R692-K694 PolarHBondContact O-N 3.39Å; K694-E696 PolarHBondContact O-N 3.41Å
695	H	42.7	Very low	58.1	Low	152 Å²	152	112.1 Å²	112.1	70%	0.704	56%	0.555	S	S	*	*			trans	-58.4	127.8	148.7	-147	-110.3	0	0	0	104.9	L693 D697	L693-H695 PolarHBondContact O-N 3.1Å; H695-D697 IonicContact CE1-OD1 2.76Å; H695-D697 IonicContact CG-OD1 3.69Å; H695-D697 IonicContact CG-OD2 3.73Å; H695-D697 IonicContact ND1-OD1 3.95Å; H695-D697 PolarHBondContact ND1-OD1 3.09Å; H695-D697 IonicContact ND1-OD2 2.64Å; H695-D697 PolarHBondContact O-N 2.91Å
696	E	33.7	Very low	55.6	Low	136 Å²	136	119.5 Å²	119.5	64%	0.636	59%	0.594	S	S	*	*			trans	-81.3	59.2	173.8	-77	177.2	158.9	0	0	108.6	R429 K694 L698	R429-E696 IonicContact CZ-OE1 3.22Å; R429-E696 VanDerWaalsContact NH1-CD 3.3Å; R429-E696 IonicContact NH1-OE1 3.06Å; R429-E696 PolarHBondContact NH1-OE1 3.38Å; R429-E696 IonicContact NH1-OE2 2.94Å; K694-E696 PolarHBondContact O-N 3.41Å; E696-L698 PolarHBondContact O-N 3.16Å
697	D	31.6	Very low	52.8	Low	119 Å²	119	125.7 Å²	125.7	64%	0.636	62%	0.623	S	S	*	*			trans	-60	95.5	155.5	-61.3	-35.9	0	0	0	105.6	H695 D699	H695-D697 IonicContact CE1-OD1 2.76Å; H695-D697 IonicContact CG-OD1 3.69Å; H695-D697 IonicContact CG-OD2 3.73Å; H695-D697 IonicContact ND1-OD1 3.95Å; H695-D697 PolarHBondContact ND1-OD1 3.09Å; H695-D697 IonicContact ND1-OD2 2.64Å; H695-D697 PolarHBondContact O-N 2.91Å; D697-D699 PolarHBondContact O-N 3.04Å
698	L	32.8	Very low	49.9	Very low	158 Å²	158	134.6 Å²	134.6	83%	0.827	66%	0.661	S	S	*	*			trans	-71.8	82.6	172.9	-98.2	160.4	0	0	0	107.5	E696	E696-L698 PolarHBondContact O-N 3.16Å
699	D	29.1	Very low	47.5	Very low	154 Å²	154	134.7 Å²	134.7	82%	0.824	67%	0.671	S	S	*	*			trans	-49.2	131.7	-175.3	-156.2	11.3	0	0	0	111.4	D697 S701	D697-D699 PolarHBondContact O-N 3.04Å; D699-S701 PolarHBondContact O-N 3.43Å
700	E	29.6	Very low	44.2	Very low	183 Å²	183	138.9 Å²	138.9	86%	0.855	70%	0.704	S	S	*	*			trans	-77	104.7	-176.4	-66.5	-176.1	128.3	0	0	109.2	D702	E700-D702 VanDerWaalsContact C-N 3.31Å; E700-D702 PolarHBondContact O-N 3.47Å
701	S	29.1	Very low	41.9	Very low	114 Å²	114	139.9 Å²	139.9	80%	0.797	72%	0.718	S	S	*	*			trans	-72.8	88.9	170.1	62.2	0	0	0	0	109.9	D699 E703	D699-S701 PolarHBondContact O-N 3.43Å; S701-E703 PolarHBondContact O-N 2.93Å; S701-E703 VanDerWaalsContact O-N 3.07Å
702	D	38.7	Very low	39.1	Very low	146 Å²	146	146.1 Å²	146.1	78%	0.781	75%	0.747	S	S	*	*			trans	-61.9	96.2	176.2	-170.7	21.3	0	0	0	111.4	E700	E700-D702 VanDerWaalsContact C-N 3.31Å; E700-D702 PolarHBondContact O-N 3.47Å
703	E	32.4	Very low	36.6	Very low	177 Å²	177	147.7 Å²	147.7	83%	0.827	75%	0.753	S	S	*	*			trans	-126	77.7	170.9	-74.5	-157.3	146.2	0	0	111.1	S701 L705	S701-E703 PolarHBondContact O-N 2.93Å; S701-E703 VanDerWaalsContact O-N 3.07Å; E703-L705 PolarHBondContact O-N 3.37Å; E703-L705 VanDerWaalsContact O-N 3.09Å
704	D	38.5	Very low	34	Very low	155 Å²	155	154.8 Å²	154.8	83%	0.829	78%	0.776	S	S	*	*			trans	-72.6	90.5	174.3	-147.4	19	0	0	0	110.7
705	L	36.3	Very low	32.5	Very low	163 Å²	163	153.1 Å²	153.1	85%	0.853	78%	0.775	S	S	*	*			trans	-139.9	112	171.1	-78	-178.1	0	0	0	113.2	E703 E707	E703-L705 PolarHBondContact O-N 3.37Å; E703-L705 VanDerWaalsContact O-N 3.09Å; L705-E707 PolarHBondContact O-N 3.28Å
706	D	38.2	Very low	31.7	Very low	166 Å²	166	153.7 Å²	153.7	89%	0.888	78%	0.783	S	S	*	*			trans	-62.5	124.7	164.6	-87.2	-62.5	0	0	0	111.9
707	E	30.5	Very low	31.3	Very low	195 Å²	195	157.8 Å²	157.8	91%	0.911	79%	0.793	S	S	*	*				-170.7	178.8	117.3	-106	-152.5	108.3	0	0	114.4	L705	L705-E707 PolarHBondContact O-N 3.28Å
708	K	30.8	Very low	31.6	Very low	196 Å²	196	157 Å²	157	85%	0.852	79%	0.794	S	S	*	*			trans	-93.5	169	-166.7	-94	-179.5	175.9	169.5	0	114.8
709	P	36.3	Very low	31.3	Very low	109 Å²	109	155.7 Å²	155.7	71%	0.708	79%	0.792	S	S	*	*			trans	-105.9	170.4	-142.9	40.3	-39.7	0	0	0	117.4
710	S	21.1	Very low	31.2	Very low	114 Å²	114	153.4 Å²	153.4	80%	0.797	79%	0.788	S	S	*	*			trans	77.7	153.8	154.4	-69.8	0	0	0	0	119.1
711	P	40.9	Very low	30.9	Very low	108 Å²	108	149.6 Å²	149.6	70%	0.701	78%	0.78	S	S	*	*			cis	-138.4	-170.8	-23.2	37.6	-18.7	0	0	0	114.8
712	H	28.1	Very low	30.6	Very low	150 Å²	150	155 Å²	155	69%	0.694	79%	0.785	S	S	*	*			trans	94.4	121.1	148.9	-93.2	38.1	0	0	0	122.4
713	R	27.4	Very low	29.9	Very low	201 Å²	201	152 Å²	152	76%	0.758	78%	0.781	S	S	*	*			trans	88.4	106.1	137.9	-71	-179.6	-175.6	-175.5	4.1	122.6
714	R	28.2	Very low	30.4	Very low	203 Å²	203	149.1 Å²	149.1	77%	0.766	78%	0.777	S	S	*	*				79.5	127.2	113.5	-80.4	-177.6	172.6	-124.8	8.3	122.6
715	D	27.1	Very low	29.6	Very low	117 Å²	117	147.8 Å²	147.8	63%	0.626	78%	0.78	S	S	*	*			trans	77.8	110.6	130.6	-50.8	-14.8	0	0	0	120.9
716	D	25.8	Very low	29.1	Very low	163 Å²	163	145 Å²	145	87%	0.872	78%	0.775	S	S	*	*			trans	101.7	157.6	132.9	-106.6	-47.7	0	0	0	124.9
717	R	24	Very low	28.5	Very low	223 Å²	223	144.1 Å²	144.1	84%	0.842	77%	0.77	S	S	*	*			trans	-89.9	-170.4	-169.4	-110.5	176.4	-177.7	-179.7	1.7	112.7
718	P	38.3	Very low	28.2	Very low	102 Å²	102	139.5 Å²	139.5	66%	0.662	76%	0.759	S	S	*	*			cis	-139.3	163	-15.9	29.5	-7.8	0	0	0	117.1
719	V	27.6	Very low	28	Very low	130 Å²	130	137.5 Å²	137.5	79%	0.788	75%	0.752	S	S	*	*			trans	50.5	151.6	133.1	-176.9	0	0	0	0	122.4
720	S	25.6	Very low	27.6	Very low	107 Å²	107	138.8 Å²	138.8	75%	0.748	75%	0.753	S	S	*	*			trans	84.7	146.7	163.4	-84.7	0	0	0	0	118.2
721	C	23.4	Very low	27.8	Very low	102 Å²	102	140.9 Å²	140.9	69%	0.689	75%	0.75	S	S	*	*			cis	-165.1	166.4	-11.2	51.1	0	0	0	0	113.3
722	Y	24.5	Very low	27	Very low	228 Å²	228	140.7 Å²	140.7	89%	0.894	75%	0.751	S	S	*	*			trans	62.7	145.5	162.7	-83.7	-79.4	0	0	0	120.8
723	A	22	Very low	26.9	Very low	83 Å²	83	137 Å²	137	69%	0.686	75%	0.753	S	S	*	*			trans	-122.8	-160.3	173.1	0	0	0	0	0	108.8
724	P	44.1	Very low	26.9	Very low	116 Å²	116	135.7 Å²	135.7	75%	0.753	76%	0.76	S	S	*	*				-112	-179.8	-70.9	36.1	-26	0	0	0	111.4
725	S	21.8	Very low	26.9	Very low	127 Å²	127	129.3 Å²	129.3	89%	0.888	76%	0.757	S	S	*	*			trans	-151.6	155.5	164.4	-81.7	0	0	0	0	112.1
726	S	25.6	Very low	27.8	Very low	106 Å²	106	130 Å²	130	74%	0.741	77%	0.768	S	S	*	*			trans	-117.8	171.3	-163.1	-52	0	0	0	0	113.9
727	N	25.3	Very low	28.1	Very low	147 Å²	147	127.3 Å²	127.3	79%	0.786	77%	0.769	S	S	*	*			trans	74.1	101.9	157	-69.9	-4.3	0	0	0	120.3
728	S	25.1	Very low	28.3	Very low	98 Å²	98	120 Å²	120	69%	0.685	76%	0.763	S	S	*	*				98	153.8	106.8	76.5	0	0	0	0	121.8
729	H	26.6	Very low	28	Very low	154 Å²	154	126.1 Å²	126.1	71%	0.713	77%	0.773	S	S	*	*			trans	80	112.1	158.9	-78	-72.8	0	0	0	122.4
730	L	26.7	Very low	28.1	Very low	136 Å²	136	126.7 Å²	126.7	71%	0.712	77%	0.771	S	S	*	*			trans	72	153.7	135.7	-59.3	166.2	0	0	0	117.5
731	Q	25.9	Very low	28.2	Very low	158 Å²	158	125 Å²	125	74%	0.738	77%	0.77	S	S	*	*			cis	-155.9	158.6	2.9	-143.9	163.1	0.2	0	0	112.9
732	S	24.6	Very low	28.4	Very low	104 Å²	104	125.7 Å²	125.7	73%	0.727	78%	0.784	S	S	*	*			trans	32.6	138.6	149.1	56.4	0	0	0	0	122
733	G	25.5	Very low	28.5	Very low	71 Å²	71	118.8 Å²	118.8	73%	0.732	78%	0.781	S	S	*	*			cis	-168.1	-140.5	9.2	0	0	0	0	0	110.4
734	L	28.4	Very low	28.8	Very low	175 Å²	175	123.1 Å²	123.1	92%	0.916	79%	0.792	S	S	*	*			cis	-152.8	-171.8	2.2	-75.9	176.5	0	0	0	109.3
735	G	26.2	Very low	28	Very low	68 Å²	68	123.6 Å²	123.6	70%	0.701	80%	0.798	S	S	*	*			trans	-121.2	-172.2	170.5	0	0	0	0	0	112.8
736	P	47.3	Very low	28.4	Very low	131 Å²	131	126.6 Å²	126.6	85%	0.851	80%	0.795	S	S	*	*				-152.1	161.6	65.6	40.7	-21.8	0	0	0	119.5
737	A	31.4	Very low	28.4	Very low	108 Å²	108	126.8 Å²	126.8	89%	0.893	79%	0.788	S	S	*	*			trans	61.8	141.2	149.2	0	0	0	0	0	121.9
738	G	28.8	Very low	28.4	Very low	69 Å²	69	127.6 Å²	127.6	71%	0.711	79%	0.785	S	S	*	*			cis	163.1	165.8	-10.6	0	0	0	0	0	115.7
739	R	32	Very low	28.4	Very low	231 Å²	231	132.3 Å²	132.3	87%	0.872	80%	0.796	S	S	*	*			trans	69.1	153.2	173.6	-60.7	-167.7	149.3	145.7	0.1	117.7
740	D	29	Very low	28.3	Very low	142 Å²	142	135.4 Å²	135.4	76%	0.759	80%	0.801	S	S	*	*			cis	-167.4	154.1	-24.8	-89.2	-28.3	0	0	0	105.6
741	G	27.3	Very low	28.2	Very low	70 Å²	70	135.5 Å²	135.5	72%	0.722	80%	0.801	S	S	*	*			cis	171.1	166.9	-5.4	0	0	0	0	0	112
742	A	29.1	Very low	28	Very low	118 Å²	118	138 Å²	138	98%	0.975	81%	0.81	S	S	*	*			trans	70.8	129	169.2	0	0	0	0	0	121.4
743	G	25.9	Very low	28	Very low	82 Å²	82	140.8 Å²	140.8	85%	0.845	81%	0.814	S	S	*	*			trans	167.2	117.5	168.5	0	0	0	0	0	112.8
744	L	28.9	Very low	28	Very low	174 Å²	174	143.4 Å²	143.4	91%	0.911	82%	0.818	S	S	*	*			trans	-98.2	139.2	-172.1	-72.3	133	0	0	0	113.6
745	S	27.5	Very low	27.7	Very low	127 Å²	127	140.6 Å²	140.6	89%	0.888	81%	0.813	S	S	*	*				-179	163.5	122.9	-83.3	0	0	0	0	114.1
746	K	29	Very low	27.7	Very low	189 Å²	189	144.6 Å²	144.6	82%	0.822	82%	0.817	S	S	*	*			trans	-101.5	159.6	-168.5	-82.1	-178.9	169.6	178.3	0	115.1
747	D	25.3	Very low	26.7	Very low	110 Å²	110	145.3 Å²	145.3	59%	0.588	82%	0.819	S	S	*	*			trans	91.2	133.7	132.7	-101.6	-33	0	0	0	122.9
748	K	26.7	Very low	26.3	Very low	165 Å²	165	146.1 Å²	146.1	72%	0.717	81%	0.808	S	S	*	*			trans	66	98.6	143.3	-73.3	152	-170.6	140.7	0	120.8
749	H	24.7	Very low	26.1	Very low	197 Å²	197	150.7 Å²	150.7	91%	0.912	82%	0.816	S	S	*	*			trans	-53.2	141.7	136	-88	-129.8	0	0	0	111.2
750	R	24	Very low	25.9	Very low	219 Å²	219	147.4 Å²	147.4	83%	0.826	81%	0.811	S	S	*	*			trans	-149.3	125.8	157.9	-131.8	-168	178.8	-159.6	-1.1	111.7
751	L	23.9	Very low	25.8	Very low	138 Å²	138	146.2 Å²	146.2	72%	0.723	81%	0.809	S	S	*	*			trans	38.8	114.1	146.6	-61	167.8	0	0	0	118.9
752	F	22.6	Very low	25.8	Very low	209 Å²	209	153.5 Å²	153.5	92%	0.917	82%	0.816	S	S	*	*			trans	-81.6	143.7	151.2	-135.2	-96.5	0	0	0	109.2
753	M	24.2	Very low	25.6	Very low	163 Å²	163	151.3 Å²	151.3	80%	0.803	81%	0.805	S	S	*	*			trans	-114.1	140.8	171.5	-64.4	-166.9	81.6	0	0	110.6
754	P	26.3	Very low	25.6	Very low	126 Å²	126	154 Å²	154	82%	0.818	81%	0.805	S	S	*	*			trans	-82.4	134.6	160.6	33	-29.6	0	0	0	109.8
755	S	22.3	Very low	25.5	Very low	116 Å²	116	152.8 Å²	152.8	81%	0.811	80%	0.798	S	S	*	*			trans	-120.7	120.8	168.6	-176.2	0	0	0	0	110.6
756	L	25.3	Very low	25.3	Very low	152 Å²	152	154.8 Å²	154.8	80%	0.796	80%	0.798	S	S	*	*			trans	-34	140.8	166.7	-55.4	164.1	0	0	0	114.6
757	V	26.4	Very low	25	Very low	146 Å²	146	152.7 Å²	152.7	89%	0.885	80%	0.795	S	S	*	*			trans	-138.7	130.8	141.9	-165.2	0	0	0	0	107.7
758	N	23.7	Very low	24.9	Very low	125 Å²	125	153.9 Å²	153.9	67%	0.668	81%	0.807	S	S	*	*			trans	-76.1	167.2	-175.3	-61.2	6.4	0	0	0	112.3
759	N	23.7	Very low	24.8	Very low	165 Å²	165	149.2 Å²	149.2	88%	0.882	81%	0.806	S	S	*	*			trans	-138.6	107.3	162.3	-161.9	41.7	0	0	0	111.1
760	E	27.1	Very low	24.8	Very low	162 Å²	162	144.9 Å²	144.9	76%	0.757	80%	0.798	S	S	*	*			trans	-106	162.2	169.9	-63.7	179.1	153.3	0	0	108
761	T	27.6	Very low	24.9	Very low	117 Å²	117	138.9 Å²	138.9	72%	0.718	79%	0.789	S	S	*	*			cis	-172.3	132.6	-22.8	-90	0	0	0	0	106
762	Y	27.4	Very low	25	Very low	224 Å²	224	140.5 Å²	140.5	88%	0.878	79%	0.793	S	S	*	*			trans	42.6	110.6	162.8	-84.2	-109.6	0	0	0	121.8
763	G	25.9	Very low	25.1	Very low	71 Å²	71	135.9 Å²	135.9	73%	0.732	79%	0.787	S	S	*	*				82.3	135.5	98.7	0	0	0	0	0	121.4
764	T	25.1	Very low	25.1	Very low	140 Å²	140	132.8 Å²	132.8	86%	0.859	79%	0.787	S	S	*	*			trans	-156.4	138.9	151.8	-70.2	0	0	0	0	109.6
765	I	26	Very low	25.1	Very low	148 Å²	148	131.5 Å²	131.5	76%	0.759	78%	0.781	S	S	*	*			trans	-91	139.9	176.6	-63.9	168.9	0	0	0	109.9
766	L	23.8	Very low	25.2	Very low	168 Å²	168	132 Å²	132	88%	0.88	78%	0.779	S	S	*	*			trans	-130.6	128.5	153.2	-78.4	178.4	0	0	0	110.4
767	N	22.5	Very low	25.2	Very low	145 Å²	145	130.4 Å²	130.4	78%	0.775	78%	0.781	S	S	*	*			trans	-116.8	121.4	178.9	172.3	19	0	0	0	108.8
768	T	24.5	Very low	25.1	Very low	135 Å²	135	127.9 Å²	127.9	83%	0.828	78%	0.776	S	S	*	*			trans	-143.2	78.2	177.2	56.6	0	0	0	0	112.7
769	G	23.8	Very low	25.7	Very low	67 Å²	67	127.5 Å²	127.5	69%	0.691	78%	0.78	S	S	*	*			trans	-94.8	158.3	141.2	0	0	0	0	0	109.2
770	S	25.1	Very low	26.7	Very low	107 Å²	107	124.8 Å²	124.8	75%	0.748	77%	0.771	S	S	*	*			cis	-153.4	167.4	1.8	55.8	0	0	0	0	108.9
771	S	24.8	Very low	26.5	Very low	93 Å²	93	124.9 Å²	124.9	65%	0.65	78%	0.776	S	S	*	*				153.5	156.8	100.5	-86.4	0	0	0	0	109.2
772	Q	26.7	Very low	27.3	Very low	171 Å²	171	124.3 Å²	124.3	80%	0.799	78%	0.775	S	S	*	*			cis	-166.7	179.4	-14.5	-110.7	-177.9	15.2	0	0	109.9
773	S	25.1	Very low	28.1	Very low	113 Å²	113	119.3 Å²	119.3	79%	0.79	77%	0.769	S	S	*	*			trans	88.2	123.3	179	73.8	0	0	0	0	115.6
774	A	25.1	Very low	28.4	Very low	97 Å²	97	126.5 Å²	126.5	80%	0.802	78%	0.775	S	S	*	*			cis	80.1	133.9	33.4	0	0	0	0	0	113.4
775	S	24.3	Very low	28.6	Very low	100 Å²	100	126.2 Å²	126.2	70%	0.699	77%	0.768	S	S	*	*			cis	-160.4	147.6	11.2	53.2	0	0	0	0	115.2
776	T	24.9	Very low	28.7	Very low	125 Å²	125	126.4 Å²	126.4	77%	0.767	77%	0.769	S	S	*	*			trans	55.3	135.2	140.7	57.3	0	0	0	0	125.2
777	S	25.8	Very low	28.8	Very low	120 Å²	120	122.5 Å²	122.5	84%	0.839	76%	0.761	S	S	*	*			trans	83.4	140.9	133.4	60.6	0	0	0	0	123.9
778	A	24.9	Very low	29.1	Very low	93 Å²	93	123.1 Å²	123.1	77%	0.769	76%	0.759	S	S	*	*			trans	-66.5	161.4	-169.8	0	0	0	0	0	119.6
779	P	35.7	Very low	29.1	Very low	116 Å²	116	124.8 Å²	124.8	75%	0.753	76%	0.755	S	S	*	*			trans	-96	168.5	164.7	43.3	-37.1	0	0	0	111.8
780	P	44.5	Very low	29.2	Very low	108 Å²	108	126.8 Å²	126.8	70%	0.701	76%	0.759	S	S	*	*				-160.2	153	75.8	40.5	-17.9	0	0	0	121.2
781	L	24.1	Very low	29.1	Very low	164 Å²	164	126.9 Å²	126.9	86%	0.859	76%	0.76	S	S	*	*			trans	67.2	172.5	142.7	-66.7	168.5	0	0	0	120.7
782	P	42.8	Very low	29.2	Very low	106 Å²	106	129.2 Å²	129.2	69%	0.688	77%	0.769	S	S	*	*				-137	-153	-51.6	43.4	-26.3	0	0	0	112
783	P	45	Very low	29	Very low	118 Å²	118	124.6 Å²	124.6	77%	0.766	77%	0.768	S	S	*	*			cis	-127.8	-179	-28.6	28.3	-5.6	0	0	0	116.3
784	R	31.7	Very low	28.9	Very low	223 Å²	223	122.5 Å²	122.5	84%	0.842	76%	0.764	S	S	*	*			trans	-41.1	166.1	160.9	-75.6	173.5	175.7	146.2	-2.8	116.8
785	N	29.9	Very low	29	Very low	134 Å²	134	126.4 Å²	126.4	72%	0.717	77%	0.77	S	S	*	*			cis	-152.2	178.4	7.3	-104	-14	0	0	0	107.5
786	L	26.7	Very low	29.2	Very low	152 Å²	152	124.6 Å²	124.6	80%	0.796	77%	0.767	S	S	*	*			cis	-178.9	134.2	48.8	-174.8	73.6	0	0	0	111.8
787	A	26.8	Very low	29.3	Very low	85 Å²	85	127.3 Å²	127.3	70%	0.702	77%	0.771	S	S	*	*			trans	57.5	160.4	157.1	0	0	0	0	0	119.7
788	Q	28.6	Very low	29.3	Very low	158 Å²	158	126.8 Å²	126.8	74%	0.738	77%	0.767	S	S	*	*			cis	-156.7	163	-6.2	-137.4	171.4	-3.6	0	0	112.3
789	F	25.4	Very low	29.4	Very low	170 Å²	170	125.9 Å²	125.9	75%	0.746	76%	0.76	S	S	*	*			trans	74	127.3	151	-82.4	-59	0	0	0	124.8
790	S	24.9	Very low	28.9	Very low	110 Å²	110	126.6 Å²	126.6	77%	0.769	76%	0.762	S	S	*	*			trans	98.2	137.6	133.7	-66.1	0	0	0	0	122.5
791	S	23.1	Very low	28	Very low	109 Å²	109	126.6 Å²	126.6	76%	0.762	77%	0.765	S	S	*	*			trans	-64	160.1	172.3	48.5	0	0	0	0	112.2
792	V	26.3	Very low	28.1	Very low	141 Å²	141	123.5 Å²	123.5	86%	0.855	76%	0.757	S	S	*	*				-152	165.2	56.5	163	0	0	0	0	109.7
793	G	22.9	Very low	27.3	Very low	74 Å²	74	123.8 Å²	123.8	76%	0.763	76%	0.757	S	S	*	*			trans	-134.6	177.3	179.5	0	0	0	0	0	115.4
794	G	23.6	Very low	26.3	Very low	70 Å²	70	130.1 Å²	130.1	72%	0.722	77%	0.765	S	S	*	*			trans	116.7	128.1	163	0	0	0	0	0	116.5
795	I	27.9	Very low	26.2	Very low	179 Å²	179	128.5 Å²	128.5	92%	0.918	77%	0.765	S	S	*	*			trans	68.5	141.5	158.6	-46.3	170.9	0	0	0	114.9
796	G	26.6	Very low	26.8	Very low	61 Å²	61	127.6 Å²	127.6	63%	0.629	77%	0.766	S	S	*	*			cis	151.9	155.5	-7.2	0	0	0	0	0	112.5
797	Q	28	Very low	26.9	Very low	182 Å²	182	124 Å²	124	85%	0.85	77%	0.766	S	S	*	*			trans	78.1	145.3	177.2	-48	-173	17.8	0	0	119.5
798	S	26.5	Very low	27.1	Very low	109 Å²	109	125 Å²	125	76%	0.762	77%	0.768	S	S	*	*			trans	66	152.3	142.1	-67	0	0	0	0	121.5
799	A	26.5	Very low	27.2	Very low	74 Å²	74	125.2 Å²	125.2	61%	0.612	77%	0.773	S	S	*	*			cis	-171.4	171.1	-21.2	0	0	0	0	0	111.6
800	T	25.2	Very low	27.7	Very low	131 Å²	131	124.1 Å²	124.1	80%	0.804	78%	0.775	S	S	*	*			trans	69.5	158.4	149.6	41.3	0	0	0	0	122
801	S	25.8	Very low	28	Very low	109 Å²	109	126.6 Å²	126.6	76%	0.762	78%	0.779	S	S	*	*			trans	64.6	117.7	174.5	63.4	0	0	0	0	117
802	S	26.2	Very low	28.5	Very low	98 Å²	98	128.4 Å²	128.4	69%	0.685	79%	0.785	S	S	*	*			cis	103.9	135.1	8.5	88.2	0	0	0	0	117.2
803	T	26.2	Very low	28.6	Very low	113 Å²	113	124.9 Å²	124.9	69%	0.693	78%	0.777	S	S	*	*			trans	68.5	139.5	158.4	59.8	0	0	0	0	118.1
804	W	23.4	Very low	28.9	Very low	250 Å²	250	132.1 Å²	132.1	95%	0.947	78%	0.781	S	S	*	*			cis	-150	-173.8	4.6	-118.5	10.4	0	0	0	115
805	K	29	Very low	29.1	Very low	190 Å²	190	135.8 Å²	135.8	83%	0.826	78%	0.78	S	S	*	*			trans	-109.5	-156.8	-169.8	-104.8	-174.9	179.8	-175.6	0	110.4
806	P	42.9	Very low	29.1	Very low	114 Å²	114	137.5 Å²	137.5	74%	0.74	77%	0.774	S	S	*	*				-137.9	174.5	-55.4	39.5	-23.5	0	0	0	115.6
807	G	29.2	Very low	29.2	Very low	78 Å²	78	139.2 Å²	139.2	80%	0.804	78%	0.777	S	S	*	*			trans	67.9	175.3	145.6	0	0	0	0	0	120.1
808	S	29.9	Very low	29.2	Very low	106 Å²	106	135.9 Å²	135.9	74%	0.741	77%	0.774	S	S	*	*			cis	-168	148.9	-16.8	-170.6	0	0	0	0	112
809	L	31.9	Very low	29.3	Very low	162 Å²	162	136.1 Å²	136.1	85%	0.848	78%	0.775	S	S	*	*			trans	65.8	168.7	156.1	-85.8	167.2	0	0	0	122.2
810	D	36.2	Very low	29.4	Very low	146 Å²	146	139.9 Å²	139.9	78%	0.781	79%	0.785	S	S	*	*			trans	-92.1	175	-164.1	-86	-69.5	0	0	0	116.8
811	L	29.9	Very low	30.3	Very low	163 Å²	163	139 Å²	139	85%	0.853	78%	0.782	S	S	*	*			trans	77.2	108.5	170.4	-95.8	88.1	0	0	0	119.8
812	V	34.2	Very low	31.2	Very low	146 Å²	146	138.9 Å²	138.9	89%	0.885	78%	0.779	S	S	*	*			trans	6.6	125.3	140.2	-172	0	0	0	0	118.5
813	G	29	Very low	31.3	Very low	67 Å²	67	140.8 Å²	140.8	69%	0.691	78%	0.781	S	S	*	*				120.7	55.1	128.5	0	0	0	0	0	122.2
814	R	29.8	Very low	31.3	Very low	227 Å²	227	142.9 Å²	142.9	86%	0.857	79%	0.785	S	S	*	*			trans	67.1	122.4	154	-76	-171.2	171.7	-157.9	0.6	121.4
815	Q	27.4	Very low	31.4	Very low	146 Å²	146	139.5 Å²	139.5	68%	0.682	78%	0.779	S	S	*	*			trans	92.1	117.7	130.5	-76	-173	-52.8	0	0	123.5
816	R	27	Very low	32.4	Very low	215 Å²	215	135.2 Å²	135.2	81%	0.811	77%	0.771	S	S	*	*			trans	88.3	95.9	135.9	-75.1	-173.9	167.6	-165	-3.2	122.2
817	S	29.3	Very low	32	Very low	98 Å²	98	135.3 Å²	135.3	69%	0.685	77%	0.771	S	S	*	*				96.9	110.5	111.4	-62.1	0	0	0	0	122.7
818	S	28.6	Very low	32.3	Very low	111 Å²	111	137.9 Å²	137.9	78%	0.776	77%	0.771	S	S	*	*				93.3	143.1	117.4	67.2	0	0	0	0	123.7
819	S	28.6	Very low	32.3	Very low	114 Å²	114	138.4 Å²	138.4	80%	0.797	77%	0.772	S	S	*	*			trans	98.6	140.9	160.5	69.8	0	0	0	0	119.5
820	D	26.9	Very low	32.8	Very low	153 Å²	153	136.9 Å²	136.9	82%	0.818	77%	0.772	S	S	*	*			trans	-117.6	-148.3	-157.2	-65	-84.8	0	0	0	112.3
821	P	45	Very low	33.1	Very low	114 Å²	114	137.5 Å²	137.5	74%	0.74	77%	0.772	S	S	*	*				-123.3	-145.6	-91.9	42.5	-24.4	0	0	0	111
822	P	44.1	Very low	34	Very low	106 Å²	106	140.5 Å²	140.5	69%	0.688	77%	0.772	S	S	*	*			cis	-142.4	169.6	-11.8	41.6	-22.5	0	0	0	119.1
823	N	27.8	Very low	33.7	Very low	137 Å²	137	141 Å²	141	73%	0.733	77%	0.769	S	S	*	*				96	149.2	128.9	-114.7	-14.7	0	0	0	126.3
824	M	27	Very low	33.8	Very low	157 Å²	157	144.3 Å²	144.3	77%	0.773	78%	0.776	S	S	*	*			trans	75.8	136.9	156.2	-67.7	-70.3	100.6	0	0	121.2
825	H	26.7	Very low	34	Very low	179 Å²	179	138 Å²	138	83%	0.829	77%	0.766	S	S	*	*			trans	-167.7	169.3	-171.2	-141	12.4	0	0	0	108.9
826	P	49.8	Very low	34.7	Very low	100 Å²	100	137.4 Å²	137.4	65%	0.649	77%	0.773	S	S	*	*				-109.5	-165.3	-83.8	38.4	-25.6	0	0	0	112.7
827	P	34.2	Very low	35.6	Very low	116 Å²	116	131.3 Å²	131.3	75%	0.753	78%	0.777	S	S	*	*				-148	148.2	90.8	36.9	-18.7	0	0	0	118.3
828	V	35.1	Very low	35.4	Very low	133 Å²	133	130.4 Å²	130.4	81%	0.806	78%	0.784	S	S	*	*			trans	27.8	122.9	144.6	-168.3	0	0	0	0	121.4
829	P	29.2	Very low	35.3	Very low	116 Å²	116	133.9 Å²	133.9	75%	0.753	79%	0.792	S	S	*	*				-139.7	173.1	127.3	25.2	-4.3	0	0	0	115.1
830	P	42.5	Very low	35	Very low	130 Å²	130	132 Å²	132	84%	0.844	79%	0.791	S	S	*	*			trans	-91.1	-158	-175.9	37.5	-37.2	0	0	0	115.9
831	M	42.7	Very low	36.3	Very low	160 Å²	160	130.7 Å²	130.7	79%	0.788	79%	0.791	S	S	*	*			trans	-86.7	142.4	-150.6	-63.5	-158.5	78.3	0	0	120.2
832	R	49	Very low	35.5	Very low	225 Å²	225	129.8 Å²	129.8	85%	0.849	79%	0.793	S	S	*	*			trans	55.5	131.3	141.1	-87.5	-175.4	171.2	175.7	-2.6	122.5
833	L	28.9	Very low	36.1	Very low	158 Å²	158	130.3 Å²	130.3	83%	0.827	80%	0.796	S	S	*	*			trans	-164.4	147.1	147.2	-113.9	173.6	0	0	0	114.2
834	T	29.5	Very low	36.1	Very low	136 Å²	136	130.2 Å²	130.2	83%	0.834	80%	0.8	S	S	*	*			trans	59.7	169.6	151.7	33.9	0	0	0	0	124.4
835	S	34	Very low	36.3	Very low	94 Å²	94	127 Å²	127	66%	0.657	80%	0.798	S	S	*	*			trans	-126.4	148.8	-178.5	177.7	0	0	0	0	112
836	T	42.9	Very low	36.4	Very low	133 Å²	133	127.5 Å²	127.5	82%	0.816	80%	0.798	S	S	*	*			trans	51.9	104.3	153.9	46.5	0	0	0	0	121.7
837	G	44.9	Very low	35.4	Very low	88 Å²	88	130 Å²	130	91%	0.907	80%	0.803	S	S	*	*				94.9	118.5	117.8	0	0	0	0	0	119.9
838	G	25	Very low	35	Very low	79 Å²	79	131.9 Å²	131.9	81%	0.814	80%	0.802	S	S	*	*			trans	165.2	152.5	166	0	0	0	0	0	114.6
839	L	26.7	Very low	34.5	Very low	184 Å²	184	130 Å²	130	96%	0.963	80%	0.8	S	S	*	*			trans	-97	153	165.3	-73	162.8	0	0	0	109.3
840	G	24	Very low	34.3	Very low	74 Å²	74	133.1 Å²	133.1	76%	0.763	81%	0.807	S	S	*	*			trans	-84.9	-154.9	-172.1	0	0	0	0	0	115.4
841	P	54.1	Low	33.5	Very low	126 Å²	126	131.4 Å²	131.4	82%	0.818	80%	0.798	S	S	*	*			cis	-139.4	161.3	6.5	40.9	-23	0	0	0	118.2
842	A	28.1	Very low	32.8	Very low	94 Å²	94	130.4 Å²	130.4	78%	0.777	79%	0.794	S	S	*	*			trans	72	172.3	155	0	0	0	0	0	118.1
843	P	55.5	Low	31.8	Very low	117 Å²	117	128.2 Å²	128.2	76%	0.76	79%	0.794	S	S	*	*				-136.5	176.3	-87.3	37.6	-19	0	0	0	117.9
844	V	27.8	Very low	31.8	Very low	136 Å²	136	125.5 Å²	125.5	82%	0.824	79%	0.788	S	S	*	*			trans	101	108.7	156.1	-171.8	0	0	0	0	121.5
845	A	31.3	Very low	31.8	Very low	88 Å²	88	128 Å²	128	73%	0.727	79%	0.787	S	S	*	*			trans	70.6	132.6	139.2	0	0	0	0	0	127.9
846	K	30.3	Very low	31.5	Very low	191 Å²	191	129.5 Å²	129.5	83%	0.83	80%	0.797	S	S	*	*			trans	86.1	128.6	132.3	-101.5	-169.2	177.2	-168.8	0	125.8
847	M	27.9	Very low	30.7	Very low	152 Å²	152	126.5 Å²	126.5	75%	0.749	79%	0.793	S	S	*	*			trans	90.1	-177.6	136.3	-131.6	141.6	173.1	0	0	122.3
848	E	25.7	Very low	29.9	Very low	156 Å²	156	132.3 Å²	132.3	73%	0.729	80%	0.797	S	S	*	*			trans	-103.5	156.3	-139.8	-63.9	160.1	104.9	0	0	119.2
849	A	25.2	Very low	29.9	Very low	94 Å²	94	132.2 Å²	132.2	78%	0.777	80%	0.796	S	S	*	*			trans	58.3	152.8	137.5	0	0	0	0	0	126.1
850	M	25	Very low	31.3	Very low	181 Å²	181	129.2 Å²	129.2	89%	0.892	79%	0.788	S	S	*	*			trans	86	121.6	154.6	-80.1	-169.2	167.7	0	0	124.5
851	S	24.7	Very low	31.6	Very low	93 Å²	93	134 Å²	134	65%	0.65	79%	0.794	S	S	*	*				87	121.2	129.5	-71.5	0	0	0	0	126.3
852	I	27.9	Very low	30.5	Very low	140 Å²	140	131.1 Å²	131.1	72%	0.718	79%	0.788	S	S	*	*				89.5	114.8	129.4	-68.3	170.6	0	0	0	122.8
853	Q	29.4	Very low	30.3	Very low	179 Å²	179	134.1 Å²	134.1	84%	0.836	80%	0.797	S	S	*	*			trans	41.6	148.7	141.3	-48.9	179	3.8	0	0	122
854	S	27.6	Very low	29.1	Very low	100 Å²	100	139.7 Å²	139.7	70%	0.699	80%	0.803	S	S	*	*			cis	-177.6	163.2	43.5	58.4	0	0	0	0	116.5
855	K	29.6	Very low	29.2	Very low	189 Å²	189	137.6 Å²	137.6	82%	0.822	79%	0.794	S	S	*	*			trans	74	125.5	143.9	-83.8	-178.9	175.7	-179.9	0	127.1
856	S	27.9	Very low	29.3	Very low	125 Å²	125	139.9 Å²	139.9	87%	0.874	80%	0.799	S	S	*	*			trans	62.7	151.2	140.5	54.8	0	0	0	0	123.1
857	G	25.9	Very low	30.4	Very low	71 Å²	71	136.3 Å²	136.3	73%	0.732	80%	0.795	S	S	*	*			cis	166.4	177.1	-7.3	0	0	0	0	0	115.9
858	Q	27.6	Very low	31.8	Very low	210 Å²	210	134.1 Å²	134.1	98%	0.981	79%	0.792	S	S	*	*			trans	80.7	147.2	165.7	-57.5	-173.9	-9.9	0	0	123.5
859	G	26.9	Very low	32.1	Very low	77 Å²	77	137 Å²	137	79%	0.794	80%	0.802	S	S	*	*			trans	144.3	119.8	159.1	0	0	0	0	0	120
860	P	54.2	Low	32.3	Very low	121 Å²	121	137.7 Å²	137.7	79%	0.786	80%	0.801	S	S	*	*			trans	-142.6	-173	-173.2	42	-23.3	0	0	0	120.9
861	L	31.5	Very low	33.5	Very low	173 Å²	173	135.3 Å²	135.3	91%	0.906	80%	0.799	S	S	*	*			trans	83.8	156.5	164.3	-58	172.6	0	0	0	120.8
862	G	29.8	Very low	33.9	Very low	66 Å²	66	136.2 Å²	136.2	68%	0.68	81%	0.813	S	S	*	*			cis	143.3	109.8	-20.9	0	0	0	0	0	118.9
863	T	25.6	Very low	33.8	Very low	157 Å²	157	133 Å²	133	96%	0.963	81%	0.813	S	S	*	*			trans	-151.6	-177.6	179.6	36	0	0	0	0	118.3
864	R	30	Very low	33.9	Very low	235 Å²	235	131.8 Å²	131.8	89%	0.887	81%	0.813	S	S	*	*			trans	-159.1	140	-138.7	174.3	-172.9	168.5	-173.9	1	119.9
865	S	29.7	Very low	33.9	Very low	91 Å²	91	131.9 Å²	131.9	64%	0.636	81%	0.806	S	S	*	*			trans	48.9	120.3	149.8	76.4	0	0	0	0	129.3
866	V	32.7	Very low	33.9	Very low	137 Å²	137	131 Å²	131	83%	0.83	80%	0.802	S	S	*	*				31.5	129.9	115.3	177.5	0	0	0	0	121.2
867	P	53.7	Low	33.8	Very low	116 Å²	116	129.3 Å²	129.3	75%	0.753	79%	0.79	S	S	*	*				-153.2	-138.7	76.6	42.4	-18.7	0	0	0	114.2
868	P	56.5	Low	33.7	Very low	106 Å²	106	135 Å²	135	69%	0.688	80%	0.795	S	S	*	*			cis	-144	151.6	-23.4	37.6	-15.7	0	0	0	121.1
869	K	31.8	Very low	33.6	Very low	216 Å²	216	129.5 Å²	129.5	94%	0.939	78%	0.779	S	S	*	*			trans	80.4	166.8	136.6	-73.3	-173.5	176.4	-175.2	0	127.3
870	S	30.6	Very low	33.7	Very low	108 Å²	108	138 Å²	138	76%	0.755	79%	0.787	S	S	*	*			trans	-145.1	-176.4	-156.1	59.3	0	0	0	0	115.9
871	P	49.9	Very low	32.2	Very low	131 Å²	131	135.3 Å²	135.3	85%	0.851	78%	0.782	S	S	*	*			trans	-140.2	-173.2	133.6	39.2	-24.4	0	0	0	115.5
872	A	33.2	Very low	31.9	Very low	113 Å²	113	136.7 Å²	136.7	93%	0.934	78%	0.781	S	S	*	*			trans	-148.6	-175.8	-161.9	0	0	0	0	0	116.7
873	G	25.4	Very low	31.7	Very low	71 Å²	71	140.5 Å²	140.5	73%	0.732	79%	0.785	S	S	*	*			trans	-157.4	160	174.7	0	0	0	0	0	114.9
874	N	32.5	Very low	31.6	Very low	155 Å²	155	138.9 Å²	138.9	83%	0.829	77%	0.771	S	S	*	*			trans	-87.9	176.3	-165.4	-89.4	43.7	0	0	0	115.3
875	D	27	Very low	31.3	Very low	102 Å²	102	135.4 Å²	135.4	55%	0.545	76%	0.764	S	S	.	*			cis	-160.8	152.4	25.6	-144	16.7	0	0	0	114.6
876	K	29.9	Very low	31.1	Very low	170 Å²	170	135.3 Å²	135.3	74%	0.739	76%	0.764	S	S	*	*			trans	42.1	146.2	146.8	-71.1	176.4	-164.3	89.2	0	123.1
877	S	25.7	Very low	30.8	Very low	89 Å²	89	137.5 Å²	137.5	62%	0.622	77%	0.765	S	S	*	*			cis	-168.1	155	-1.3	64.7	0	0	0	0	115.8
878	F	24.4	Very low	29.5	Very low	191 Å²	191	137.4 Å²	137.4	84%	0.838	77%	0.767	S	S	*	*			trans	55.1	154.1	154.3	-62	-64.7	0	0	0	122.4
879	S	25.8	Very low	28.2	Very low	94 Å²	94	139 Å²	139	66%	0.657	78%	0.775	S	S	*	*			cis	178.9	140.2	-41.8	-100.3	0	0	0	0	113.6
880	R	27.3	Very low	27.9	Very low	255 Å²	255	135.2 Å²	135.2	96%	0.962	76%	0.76	S	S	*	*			trans	63.2	163.7	162.2	-63.3	176.7	174.3	173.9	-3.3	117
881	G	24.1	Very low	27.8	Very low	66 Å²	66	139.8 Å²	139.8	68%	0.68	76%	0.761	S	S	*	*			cis	153	113.7	-16.3	0	0	0	0	0	116.3
882	F	24.9	Very low	26.7	Very low	201 Å²	201	137.7 Å²	137.7	88%	0.882	76%	0.755	S	S	*	*			trans	66.4	134.9	161.5	-75.4	-76.1	0	0	0	123.4
883	L	25.7	Very low	26.6	Very low	147 Å²	147	136.8 Å²	136.8	77%	0.77	75%	0.747	S	S	*	*			trans	79	130.7	143	-73.6	166.4	0	0	0	124.5
884	N	23.6	Very low	26.8	Very low	122 Å²	122	141.3 Å²	141.3	65%	0.652	75%	0.747	S	S	*	*			trans	82.8	122.4	139.6	-94.6	33.7	0	0	0	125.7
885	Q	24.1	Very low	26.5	Very low	162 Å²	162	141.3 Å²	141.3	76%	0.757	74%	0.742	S	S	*	*				79.4	109.9	126.6	-91.6	175.7	-22.3	0	0	124.9
886	S	25.1	Very low	26.5	Very low	90 Å²	90	143 Å²	143	63%	0.629	76%	0.756	S	S	*	*				73.8	133.4	117.7	64.2	0	0	0	0	125.5
887	E	26.3	Very low	27.2	Very low	182 Å²	182	141 Å²	141	85%	0.85	76%	0.76	S	S	*	*			trans	66.8	131.2	148.7	-65.5	-179.7	135.9	0	0	120.5
888	S	25.8	Very low	27.1	Very low	114 Å²	114	140.4 Å²	140.4	80%	0.797	77%	0.767	S	S	*	*				165.2	174.1	83	51.9	0	0	0	0	108.8
889	V	28.4	Very low	27.1	Very low	139 Å²	139	137.4 Å²	137.4	84%	0.842	77%	0.769	S	S	*	*			cis	-172.8	149.5	-9.3	125.5	0	0	0	0	107.2
890	E	25.5	Very low	28.2	Very low	138 Å²	138	137.9 Å²	137.9	65%	0.645	77%	0.77	S	S	*	*			cis	-154.7	-71.5	-19.5	-165.3	-152.9	-138.1	0	0	115
891	R	28.6	Very low	28.2	Very low	203 Å²	203	133.3 Å²	133.3	77%	0.766	76%	0.759	S	S	*	*			trans	-138.5	173.2	-160.9	-86.4	-173	-172.4	112.8	-4.8	113.7
892	A	28.4	Very low	28.3	Very low	87 Å²	87	136.3 Å²	136.3	72%	0.719	76%	0.76	S	S	*	*			cis	-176.5	173.3	-25.7	0	0	0	0	0	112.6
893	A	30.4	Very low	28.4	Very low	94 Å²	94	132.7 Å²	132.7	78%	0.777	76%	0.759	S	S	*	*			trans	91.9	122.4	142.8	0	0	0	0	0	124.7
894	K	29.2	Very low	28.5	Very low	167 Å²	167	132.2 Å²	132.2	73%	0.726	76%	0.762	S	S	*	*			trans	89.7	128	131.3	-86.3	-171.4	165.3	-137.8	0	125.6
895	E	26	Very low	29.5	Very low	155 Å²	155	131.8 Å²	131.8	72%	0.724	77%	0.766	S	S	*	*			trans	83.1	155.5	137.3	-74.7	162.5	-169	0	0	122.9
896	V	28	Very low	30.3	Very low	138 Å²	138	130 Å²	130	84%	0.836	77%	0.769	S	S	*	*			trans	-170.7	161.7	-146.4	141.2	0	0	0	0	107.6
897	P	43.9	Very low	30.5	Very low	128 Å²	128	130.1 Å²	130.1	83%	0.831	78%	0.775	S	S	*	*			cis	-131.1	-165.2	12.7	44.6	-28.3	0	0	0	115.7
898	G	24	Very low	30.9	Very low	75 Å²	75	127.9 Å²	127.9	77%	0.773	78%	0.776	S	S	*	*			trans	173.6	144.8	160.4	0	0	0	0	0	115.6
899	C	23.8	Very low	31	Very low	128 Å²	128	127.2 Å²	127.2	87%	0.865	78%	0.777	S	S	*	*			trans	-176	-176.4	178.6	-134.1	0	0	0	0	109.4
900	P	49.2	Very low	30.9	Very low	105 Å²	105	125.5 Å²	125.5	68%	0.682	77%	0.772	S	S	*	*			cis	-135.9	-161.3	-12.5	37.5	-15.5	0	0	0	114.1
901	Q	26.6	Very low	30.9	Very low	159 Å²	159	130.5 Å²	130.5	74%	0.743	78%	0.784	S	S	*	*			trans	126.9	121.9	146.1	-69.7	-160.5	-3.5	0	0	121.1
902	N	26.6	Very low	31	Very low	129 Å²	129	131 Å²	131	69%	0.69	79%	0.792	S	S	*	*				84.3	138.6	128.6	-65.9	-12.5	0	0	0	126.9
903	S	27	Very low	30.8	Very low	124 Å²	124	131.6 Å²	131.6	87%	0.867	80%	0.797	S	S	*	*			trans	102.6	137.1	148.9	74.8	0	0	0	0	121.3
904	V	27.2	Very low	30.8	Very low	137 Å²	137	136.6 Å²	136.6	83%	0.83	80%	0.802	S	S	*	*			trans	-167.2	160	-158.1	156.8	0	0	0	0	107.9
905	P	46.2	Very low	31.1	Very low	113 Å²	113	134.4 Å²	134.4	73%	0.734	81%	0.805	S	S	*	*			cis	-110.7	-110.5	3.5	25.2	-0.1	0	0	0	112.6
906	P	40.6	Very low	31.3	Very low	126 Å²	126	136.5 Å²	136.5	82%	0.818	81%	0.812	S	S	*	*			cis	-103.6	-164	6.7	43.3	-36.7	0	0	0	115.1
907	A	28.6	Very low	31.8	Very low	91 Å²	91	135.6 Å²	135.6	75%	0.752	81%	0.809	S	S	*	*			trans	-156.4	170.4	178.9	0	0	0	0	0	114.2
908	P	34.7	Very low	31.5	Very low	135 Å²	135	138.4 Å²	138.4	88%	0.877	81%	0.811	S	S	*	*			trans	-133	163.9	136.2	37.1	-26.1	0	0	0	114.6
909	A	28.8	Very low	32.3	Very low	100 Å²	100	144.8 Å²	144.8	83%	0.826	82%	0.817	S	S	*	*			trans	-102.3	-179.6	-176.1	0	0	0	0	0	112.5
910	S	25	Very low	33.4	Very low	103 Å²	103	147.4 Å²	147.4	72%	0.72	82%	0.817	S	S	*	*			cis	-154.8	162.7	8.4	58.2	0	0	0	0	108.6
911	R	27.2	Very low	34	Very low	243 Å²	243	151.7 Å²	151.7	92%	0.917	82%	0.819	S	S	*	*				-164	173.3	69	-75.4	-175.3	173.1	-179.6	-2.6	111.4
912	K	28.7	Very low	36.2	Very low	213 Å²	213	148.2 Å²	148.2	93%	0.926	81%	0.811	S	S	*	*			trans	-85	144.4	-169.6	-57.1	178.9	179.9	-178.7	0	115.1
913	A	26	Very low	39.1	Very low	100 Å²	100	146.4 Å²	146.4	83%	0.826	80%	0.797	S	S	*	*			trans	-149.4	168.4	152.9	0	0	0	0	0	109.5
914	F	30.2	Very low	42.2	Very low	200 Å²	200	142.7 Å²	142.7	88%	0.877	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-81.9	155.1	-167.8	-73.1	-94.4	0	0	0	114.6
915	P	34.2	Very low	45.5	Very low	121 Å²	121	136.2 Å²	136.2	79%	0.786	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-79.3	146.7	-179.3	32.7	-35.6	0	0	0	113.4
916	F	30.4	Very low	47.8	Very low	198 Å²	198	135.7 Å²	135.7	87%	0.868	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-97.7	158.5	166.6	-91	-96.4	0	0	0	111.4
917	P	39.8	Very low	50.3	Low	119 Å²	119	129.8 Å²	129.8	77%	0.773	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-75.3	158.9	-171.4	-15.9	31.8	0	0	0	114.7
918	Q	36.8	Very low	53.4	Low	188 Å²	188	127.8 Å²	127.8	88%	0.879	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-66.3	141.9	165.6	-67	168.6	-76.5	0	0	110.5	Q920	Q918-Q920 PolarHBondContact O-N 2.83Å
919	K	40.5	Very low	55.9	Low	208 Å²	208	127.5 Å²	127.5	90%	0.904	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-68.7	125.4	168.6	-69.3	-173.8	175.8	-173.3	0	109.6
920	Q	46.3	Very low	58.7	Low	184 Å²	184	127.6 Å²	127.6	86%	0.86	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-67.3	154.8	164.5	-69	176.6	-21.7	0	0	109.8	Q918	Q918-Q920 PolarHBondContact O-N 2.83Å
921	R	63	Low	61.7	Low	194 Å²	194	123.4 Å²	123.4	73%	0.732	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-67.9	148.3	165.4	-70.3	-176.9	178.5	176.1	0.2	108.9
922	P	72.9	Confident	64.7	Low	86 Å²	86	118.5 Å²	118.5	56%	0.558	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-61.6	145.1	171.6	28.9	-35.1	0	0	0	110	V948	P922-V948 HydrophobicContact CB-CG1 3.85Å; P922-V948 HydrophobicContact CG-CG1 4.32Å
923	K	87.4	Confident	67.4	Low	91 Å²	91	109.6 Å²	109.6	40%	0.396	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	138.5	174.3	-63.7	175	174.5	-173.7	0	108.8	V949 E952 F979	K923-V949 HydrophobicContact CB-CB 4.01Å; K923-V949 HydrophobicContact CB-CG2 3.85Å; K923-V949 PolarHBondContact O-N 2.95Å; K923-E952 IonicContact NZ-OE1 3.49Å; K923-E952 PolarHBondContact NZ-OE1 3.47Å; K923-F979 HydrophobicContact CD-CE1 4.27Å
924	R	92.8	Very high	69.9	Low	47 Å²	47	112 Å²	112	18%	0.177	54%	0.544	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	136.8	176.9	-67.6	171	69.8	-129	0.6	109.3	E963 I980 D982	R924-E963 IonicContact CZ-OE1 3.52Å; R924-E963 IonicContact CZ-OE2 2.66Å; R924-E963 IonicContact NE-OE1 3.34Å; R924-E963 PolarHBondContact NE-OE1 3.03Å; R924-E963 IonicContact NE-OE2 2.79Å; R924-E963 IonicContact NH2-OE1 2.79Å; R924-E963 PolarHBondContact NH2-OE1 3.13Å; R924-E963 IonicContact NH2-OE2 3.6Å; R924-E963 PolarHBondContact NH2-OE2 3.05Å; R924-I980 HydrophobicContact CB-CB 4.43Å; R924-I980 PolarHBondContact O-N 3.14Å; R924-D982 IonicContact CZ-OD1 3.84Å; R924-D982 IonicContact CZ-OD2 2.7Å; R924-D982 IonicContact NH1-OD1 3.7Å; R924-D982 PolarHBondContact NH1-OD1 3.07Å; R924-D982 IonicContact NH1-OD2 3.57Å; R924-D982 PolarHBondContact NH1-OD2 2.61Å
925	V	94.5	Very high	72.5	Confident	0 Å²	0	106.4 Å²	106.4	0%	0	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	150.6	-178.6	-55.5	0	0	0	0	109.9	V946 I947 V949 W958 F972 V977 L978 F979	V925-V946 CarbonylContact O-C 3.58Å; V925-V946 WeakPolarHBondContact O-CA 3.36Å; V925-I947 HydrophobicContact CG2-CB 3.83Å; V925-I947 HydrophobicContact CG2-CG2 4.38Å; V925-I947 PolarHBondContact N-O 2.93Å; V925-I947 PolarHBondContact O-N 2.98Å; V925-V949 HydrophobicContact CG1-CG2 3.98Å; V925-V949 HydrophobicContact CG2-CG2 4.28Å; V925-W958 HydrophobicContact CG1-CZ3 4.25Å; V925-F972 HydrophobicContact CG2-CE2 4.17Å; V925-F972 HydrophobicContact CG2-CZ 4.22Å; V925-V977 HydrophobicContact CB-CB 3.89Å; V925-V977 HydrophobicContact CB-CG2 3.98Å; V925-V977 HydrophobicContact CG1-CG2 4.35Å; V925-V977 HydrophobicContact CG2-CB 3.76Å; V925-V977 HydrophobicContact CG2-CG1 3.85Å; V925-V977 HydrophobicContact CG2-CG2 3.87Å; V925-L978 CarbonylContact C-O 3.57Å; V925-L978 WeakPolarHBondContact CA-O 3.5Å; V925-L978 WeakPolarHBondContact CB-O 3.42Å; V925-F979 HydrophobicContact CG1-CD1 3.88Å; V925-F979 HydrophobicContact CG1-CE1 4.12Å; V925-F979 HydrophobicContact CG1-CG 4.45Å
926	K	95.1	Very high	74.5	Confident	102 Å²	102	107.2 Å²	107.2	44%	0.443	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.6	178.5	-168.5	173.4	176.4	178	0	109.9	I928 G944 E945 V977 L978 I980	K926-I928 PolarHBondContact O-N 2.64Å; K926-G944 WeakPolarHBondContact CE-O 3.12Å; K926-E945 WeakPolarHBondContact CA-O 3.48Å; K926-V977 CarbonylContact O-C 3.51Å; K926-V977 VanDerWaalsContact O-CA 3.23Å; K926-V977 WeakPolarHBondContact O-CA 3.41Å; K926-L978 PolarHBondContact N-O 3.33Å; K926-L978 PolarHBondContact O-N 2.75Å; K926-I980 HydrophobicContact CB-CD1 3.89Å; K926-I980 HydrophobicContact CB-CG1 3.92Å
927	A	94.4	Very high	77.3	Confident	2 Å²	2	103.2 Å²	103.2	2%	0.017	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	130.3	171.8	0	0	0	0	0	111.3	F941 S942 G944 E945 F976	A927-F941 HydrophobicContact CB-CD2 3.4Å; A927-F941 HydrophobicContact CB-CE2 3.62Å; A927-F941 HydrophobicContact CB-CG 4.5Å; A927-S942 VanDerWaalsContact CB-O 3.26Å; A927-S942 WeakPolarHBondContact CB-O 3.43Å; A927-G944 PolarHBondContact O-N 3.19Å; A927-E945 PolarHBondContact N-O 2.89Å; A927-F976 WeakPolarHBondContact CA-O 3.25Å
928	I	92.9	Very high	79.8	Confident	49 Å²	49	99.5 Å²	99.5	25%	0.251	49%	0.488	S	S	.	.	S	Bend	trans	-107.2	-7.4	173.8	53.5	164.1	0	0	0	113.5	K926 F976 L978	K926-I928 PolarHBondContact O-N 2.64Å; I928-F976 VanDerWaalsContact CG1-C 3.49Å; I928-F976 VanDerWaalsContact CG1-O 3.26Å; I928-F976 WeakPolarHBondContact CG1-O 3.44Å; I928-F976 PolarHBondContact N-O 3.48Å; I928-L978 HydrophobicContact CD1-CG 4.4Å; I928-L978 HydrophobicContact CG2-CB 4.3Å; I928-L978 HydrophobicContact CG2-CD1 3.59Å; I928-L978 HydrophobicContact CG2-CG 3.66Å
929	Y	87.2	Confident	82.4	Confident	129 Å²	129	90.7 Å²	90.7	51%	0.506	45%	0.447	S	S	.	.	S	Bend	trans	-138.7	163.8	171	-53.1	-61.6	0	0	0	109.8	F941 F976	Y929-F941 WeakPolarHBondContact O-CE2 3.32Å; Y929-F976 HydrophobicContact CD2-CB 4.47Å; Y929-F976 HydrophobicContact CD2-CD1 4.19Å; Y929-F976 HydrophobicContact CD2-CD2 4.38Å; Y929-F976 HydrophobicContact CD2-CG 4.09Å; Y929-F976 HydrophobicContact CG-CD1 4.47Å
930	N	87.4	Confident	84.9	Confident	102 Å²	102	84 Å²	84	55%	0.545	42%	0.423	S	S	.	.			trans	-76.7	133.5	166.8	-55.7	-66.9	0	0	0	109.5	F941 S942 E943	N930-F941 CarbonylContact C-O 3.57Å; N930-F941 WeakPolarHBondContact CA-O 3.39Å; N930-S942 VanDerWaalsContact OD1-CA 3.29Å; N930-S942 WeakPolarHBondContact OD1-CA 3.35Å; N930-E943 PolarHBondContact OD1-N 2.82Å
931	C	88.7	Confident	87.2	Confident	15 Å²	15	75.3 Å²	75.3	10%	0.101	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-120.9	127.1	175.1	-178.6	0	0	0	0	109.2	L939 T940 F941 F976	C931-L939 PolarHBondContact SG-O 3.15Å; C931-T940 CarbonylContact O-C 3.54Å; C931-T940 WeakPolarHBondContact O-CA 3.32Å; C931-F941 HydrophobicContact CB-CD1 3.64Å; C931-F941 HydrophobicContact CB-CD2 3.89Å; C931-F941 HydrophobicContact CB-CE1 3.27Å; C931-F941 HydrophobicContact CB-CE2 3.57Å; C931-F941 HydrophobicContact CB-CG 3.95Å; C931-F941 HydrophobicContact CB-CZ 3.26Å; C931-F941 PolarHBondContact N-O 3.16Å; C931-F941 PolarHBondContact O-N 3.26Å; C931-F941 VanDerWaalsContact O-O 3.07Å; C931-F976 HydrophobicContact CB-CD1 3.98Å; C931-F976 HydrophobicContact CB-CE1 4.32Å
932	I	89.1	Confident	88.7	Confident	140 Å²	140	69 Å²	69	72%	0.718	37%	0.368	S	S	*	.			trans	-111.7	126.9	172	-59	176.2	0	0	0	105.9
933	A	86.7	Confident	89.7	Confident	26 Å²	26	71.1 Å²	71.1	22%	0.215	37%	0.371	C	S	.	.			trans	-70	127.2	179	0	0	0	0	0	110.9	E938 T940	A933-E938 HydrophobicContact CB-CB 3.68Å; A933-E938 WeakPolarHBondContact CB-O 3.23Å; A933-T940 VanDerWaalsContact CB-OG1 3.23Å; A933-T940 WeakPolarHBondContact CB-OG1 3.43Å; A933-T940 PolarHBondContact N-OG1 3.47Å
934	D	77.1	Confident	89.7	Confident	152 Å²	152	68.4 Å²	68.4	81%	0.813	37%	0.369	S	S	*	.	S	Bend	trans	-84.9	-29.4	169.3	-81.9	-34.3	0	0	0	110.7	E938	D934-E938 PolarHBondContact N-OE2 3.38Å
935	N	84.5	Confident	89.8	Confident	82 Å²	82	68.4 Å²	68.4	44%	0.439	37%	0.371	S	S	.	.	S	Bend	trans	-114.6	150	178.6	-61.4	-74.4	0	0	0	112.6	D937 E938	N935-D937 WeakPolarHBondContact CB-OD1 3.11Å; N935-D937 PolarHBondContact O-N 2.93Å; N935-D937 VanDerWaalsContact O-N 3.13Å; N935-E938 HydrophobicContact CB-CG 4.11Å; N935-E938 PolarHBondContact N-OE2 3.19Å; N935-E938 PolarHBondContact ND2-OE1 3.34Å; N935-E938 WeakPolarHBondContact O-CB 3.24Å; N935-E938 PolarHBondContact O-N 3.27Å; N935-E938 VanDerWaalsContact O-N 3.08Å
936	P	77.9	Confident	89.8	Confident	138 Å²	138	69.8 Å²	69.8	90%	0.896	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-6.3	-172.4	31.3	-37.6	0	0	0	115
937	D	88	Confident	89.9	Confident	113 Å²	113	64.9 Å²	64.9	60%	0.604	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-4.5	174.3	43.8	-22.2	0	0	0	113.4	N935 G970 A971	N935-D937 WeakPolarHBondContact CB-OD1 3.11Å; N935-D937 PolarHBondContact O-N 2.93Å; N935-D937 VanDerWaalsContact O-N 3.13Å; D937-G970 CarbonylContact O-C 3.5Å; D937-G970 WeakPolarHBondContact O-CA 3.24Å; D937-A971 PolarHBondContact O-N 2.91Å
938	E	92.4	Very high	89.9	Confident	41 Å²	41	65.6 Å²	65.6	19%	0.192	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-89.7	155.1	174	-66.4	164.1	-172.7	0	0	112.4	A933 D934 N935 W957 A971	A933-E938 HydrophobicContact CB-CB 3.68Å; A933-E938 WeakPolarHBondContact CB-O 3.23Å; D934-E938 PolarHBondContact N-OE2 3.38Å; N935-E938 HydrophobicContact CB-CG 4.11Å; N935-E938 PolarHBondContact N-OE2 3.19Å; N935-E938 PolarHBondContact ND2-OE1 3.34Å; N935-E938 WeakPolarHBondContact O-CB 3.24Å; N935-E938 PolarHBondContact O-N 3.27Å; N935-E938 VanDerWaalsContact O-N 3.08Å; E938-W957 HydrophobicContact CG-CH2 4.4Å; E938-W957 HydrophobicContact CG-CZ3 4.04Å; E938-A971 CarbonylContact C-O 3.58Å; E938-A971 VanDerWaalsContact CA-O 3.3Å; E938-A971 WeakPolarHBondContact CA-O 3.18Å
939	L	92.5	Very high	89.9	Confident	4 Å²	4	64 Å²	64	2%	0.021	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-93.6	121	-178.4	-174	58.4	0	0	0	112	C931 F941 I947 I962 R968 A971 F972	C931-L939 PolarHBondContact SG-O 3.15Å; L939-F941 HydrophobicContact CB-CD1 4.26Å; L939-F941 HydrophobicContact CD2-CD1 4.22Å; L939-F941 HydrophobicContact CG-CD1 3.93Å; L939-F941 VanDerWaalsContact O-CD1 3.25Å; L939-F941 WeakPolarHBondContact O-CD1 3.09Å; L939-I947 HydrophobicContact CD2-CD1 4.13Å; L939-I947 HydrophobicContact CD2-CG1 4.14Å; L939-I947 HydrophobicContact CD2-CG2 4Å; L939-I962 HydrophobicContact CD1-CG1 4.27Å; L939-I962 HydrophobicContact CD2-CD1 4.37Å; L939-R968 VanDerWaalsContact CD1-C 3.45Å; L939-R968 HydrophobicContact CD1-CB 4.29Å; L939-R968 VanDerWaalsContact CD1-O 3.31Å; L939-R968 WeakPolarHBondContact CD1-O 3.16Å; L939-A971 PolarHBondContact N-O 2.92Å; L939-F972 HydrophobicContact CB-CB 4.32Å; L939-F972 HydrophobicContact CD2-CD1 4.21Å
940	T	92.6	Very high	90	Very high	66 Å²	66	61.4 Å²	61.4	41%	0.405	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-85.9	124.1	167.8	-64.7	0	0	0	0	110.8	C931 A933 R968	C931-T940 CarbonylContact O-C 3.54Å; C931-T940 WeakPolarHBondContact O-CA 3.32Å; A933-T940 VanDerWaalsContact CB-OG1 3.23Å; A933-T940 WeakPolarHBondContact CB-OG1 3.43Å; A933-T940 PolarHBondContact N-OG1 3.47Å; T940-R968 PolarHBondContact O-NH2 3.24Å
941	F	95.1	Very high	89.9	Confident	3 Å²	3	57.8 Å²	57.8	1%	0.013	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-149.4	155.7	-178	60.4	-94.8	0	0	0	113.5	A927 Y929 N930 C931 L939 E945 I947 I962 F972 F976	A927-F941 HydrophobicContact CB-CD2 3.4Å; A927-F941 HydrophobicContact CB-CE2 3.62Å; A927-F941 HydrophobicContact CB-CG 4.5Å; Y929-F941 WeakPolarHBondContact O-CE2 3.32Å; N930-F941 CarbonylContact C-O 3.57Å; N930-F941 WeakPolarHBondContact CA-O 3.39Å; C931-F941 HydrophobicContact CB-CD1 3.64Å; C931-F941 HydrophobicContact CB-CD2 3.89Å; C931-F941 HydrophobicContact CB-CE1 3.27Å; C931-F941 HydrophobicContact CB-CE2 3.57Å; C931-F941 HydrophobicContact CB-CG 3.95Å; C931-F941 HydrophobicContact CB-CZ 3.26Å; C931-F941 PolarHBondContact N-O 3.16Å; C931-F941 PolarHBondContact O-N 3.26Å; C931-F941 VanDerWaalsContact O-O 3.07Å; L939-F941 HydrophobicContact CB-CD1 4.26Å; L939-F941 HydrophobicContact CD2-CD1 4.22Å; L939-F941 HydrophobicContact CG-CD1 3.93Å; L939-F941 VanDerWaalsContact O-CD1 3.25Å; L939-F941 WeakPolarHBondContact O-CD1 3.09Å; F941-E945 WeakPolarHBondContact CA-OE2 3.26Å; F941-I947 HydrophobicContact CB-CD1 4.49Å; F941-I947 HydrophobicContact CD1-CD1 3.88Å; F941-I947 HydrophobicContact CD2-CD1 4.13Å; F941-I947 HydrophobicContact CE1-CD1 4.03Å; F941-I947 HydrophobicContact CE2-CD1 4.26Å; F941-I947 HydrophobicContact CG-CD1 3.92Å; F941-I947 HydrophobicContact CZ-CD1 4.2Å; F941-I962 HydrophobicContact CB-CD1 3.75Å; F941-F972 HydrophobicContact CE1-CB 3.62Å; F941-F972 HydrophobicContact CE1-CG 4.47Å; F941-F972 HydrophobicContact CZ-CB 4.29Å; F941-F976 HydrophobicContact CE2-CB 4.12Å; F941-F976 HydrophobicContact CZ-CB 3.8Å; F941-F976 HydrophobicContact CZ-CD1 4.35Å; F941-F976 HydrophobicContact CZ-CG 4.49Å
942	S	94.2	Very high	89.8	Confident	61 Å²	61	62.5 Å²	62.5	43%	0.427	36%	0.356	S	S	.	.			trans	-101.3	154.3	178.7	-47.1	0	0	0	0	111.2	A927 N930 G944 E945	A927-S942 VanDerWaalsContact CB-O 3.26Å; A927-S942 WeakPolarHBondContact CB-O 3.43Å; N930-S942 VanDerWaalsContact OD1-CA 3.29Å; N930-S942 WeakPolarHBondContact OD1-CA 3.35Å; S942-G944 PolarHBondContact O-N 3.05Å; S942-E945 PolarHBondContact N-OE2 3.4Å; S942-E945 WeakPolarHBondContact O-CB 3.45Å; S942-E945 PolarHBondContact O-N 3.12Å; S942-E945 VanDerWaalsContact O-N 3.14Å
943	E	93.3	Very high	89.2	Confident	130 Å²	130	61.9 Å²	61.9	61%	0.607	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	130.6	170.9	-176	-174.2	157.1	0	0	110.2	N930	N930-E943 PolarHBondContact OD1-N 2.82Å
944	G	87.9	Confident	89	Confident	35 Å²	35	64.8 Å²	64.8	36%	0.361	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	-14.3	-179.9	0	0	0	0	0	116.1	K926 A927 S942	K926-G944 WeakPolarHBondContact CE-O 3.12Å; A927-G944 PolarHBondContact O-N 3.19Å; S942-G944 PolarHBondContact O-N 3.05Å
945	E	94.9	Very high	89	Confident	46 Å²	46	66.3 Å²	66.3	22%	0.215	37%	0.365	C	S	.	.			trans	-64.8	149.8	171.6	-67.5	-167.3	103.9	0	0	111.4	K926 A927 F941 S942 I962 R968	K926-E945 WeakPolarHBondContact CA-O 3.48Å; A927-E945 PolarHBondContact N-O 2.89Å; F941-E945 WeakPolarHBondContact CA-OE2 3.26Å; S942-E945 PolarHBondContact N-OE2 3.4Å; S942-E945 WeakPolarHBondContact O-CB 3.45Å; S942-E945 PolarHBondContact O-N 3.12Å; S942-E945 VanDerWaalsContact O-N 3.14Å; E945-I962 HydrophobicContact CB-CD1 4.12Å; E945-R968 IonicContact OE1-CZ 3.18Å; E945-R968 IonicContact OE1-NH1 2.76Å; E945-R968 PolarHBondContact OE1-NH1 3.36Å; E945-R968 IonicContact OE1-NH2 3Å; E945-R968 PolarHBondContact OE1-NH2 2.62Å; E945-R968 IonicContact OE2-CZ 3.6Å; E945-R968 IonicContact OE2-NH1 2.69Å; E945-R968 IonicContact OE2-NH2 3.9Å; E945-R968 PolarHBondContact OE2-NH2 2.71Å
946	V	94.8	Very high	89	Confident	29 Å²	29	69.1 Å²	69.1	18%	0.176	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.6	175.4	-179.3	0	0	0	0	108.9	V925 E963 I980	V925-V946 CarbonylContact O-C 3.58Å; V925-V946 WeakPolarHBondContact O-CA 3.36Å; V946-E963 HydrophobicContact CB-CB 3.93Å; V946-E963 HydrophobicContact CG1-CB 4Å; V946-E963 WeakPolarHBondContact CG1-OE2 3.34Å; V946-E963 WeakPolarHBondContact O-CB 3.44Å; V946-E963 PolarHBondContact O-N 2.96Å; V946-I980 HydrophobicContact CB-CD1 4.3Å; V946-I980 HydrophobicContact CG1-CD1 3.65Å; V946-I980 HydrophobicContact CG2-CD1 3.73Å
947	I	95.9	Very high	89.6	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.7	178.8	-59	161.5	0	0	0	108.2	V925 L939 F941 H961 I962 F972 V977	V925-I947 HydrophobicContact CG2-CB 3.83Å; V925-I947 HydrophobicContact CG2-CG2 4.38Å; V925-I947 PolarHBondContact N-O 2.93Å; V925-I947 PolarHBondContact O-N 2.98Å; L939-I947 HydrophobicContact CD2-CD1 4.13Å; L939-I947 HydrophobicContact CD2-CG1 4.14Å; L939-I947 HydrophobicContact CD2-CG2 4Å; F941-I947 HydrophobicContact CB-CD1 4.49Å; F941-I947 HydrophobicContact CD1-CD1 3.88Å; F941-I947 HydrophobicContact CD2-CD1 4.13Å; F941-I947 HydrophobicContact CE1-CD1 4.03Å; F941-I947 HydrophobicContact CE2-CD1 4.26Å; F941-I947 HydrophobicContact CG-CD1 3.92Å; F941-I947 HydrophobicContact CZ-CD1 4.2Å; I947-H961 CarbonylContact C-O 3.57Å; I947-H961 WeakPolarHBondContact CA-O 3.23Å; I947-I962 HydrophobicContact CG1-CD1 3.79Å; I947-F972 HydrophobicContact CD1-CD2 4.49Å; I947-F972 HydrophobicContact CD1-CG 4.49Å; I947-F972 HydrophobicContact CG2-CD1 4.09Å; I947-F972 HydrophobicContact CG2-CE1 3.59Å; I947-F972 HydrophobicContact CG2-CZ 3.9Å; I947-V977 HydrophobicContact CD1-CG1 3.97Å
948	V	94.3	Very high	89.9	Confident	17 Å²	17	62.4 Å²	62.4	10%	0.103	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	124.4	171.2	-174.4	0	0	0	0	107.7	P922 D950 G960 H961 E963	P922-V948 HydrophobicContact CB-CG1 3.85Å; P922-V948 HydrophobicContact CG-CG1 4.32Å; V948-D950 PolarHBondContact O-N 3.42Å; V948-G960 CarbonylContact O-C 3.58Å; V948-G960 WeakPolarHBondContact O-CA 3.4Å; V948-H961 PolarHBondContact N-O 2.91Å; V948-H961 PolarHBondContact O-N 2.81Å; V948-E963 HydrophobicContact CG2-CB 4.1Å; V948-E963 HydrophobicContact CG2-CG 4.42Å
949	V	93.8	Very high	89.9	Confident	15 Å²	15	63.5 Å²	63.5	9%	0.091	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	116.7	-177.5	-164.1	0	0	0	0	109.7	K923 V925 G951 W958 L959 F972	K923-V949 HydrophobicContact CB-CB 4.01Å; K923-V949 HydrophobicContact CB-CG2 3.85Å; K923-V949 PolarHBondContact O-N 2.95Å; V925-V949 HydrophobicContact CG1-CG2 3.98Å; V925-V949 HydrophobicContact CG2-CG2 4.28Å; V949-G951 WeakPolarHBondContact CG1-O 3.31Å; V949-W958 HydrophobicContact CG1-CB 4.07Å; V949-W958 HydrophobicContact CG1-CD2 4.4Å; V949-W958 HydrophobicContact CG1-CE3 4.2Å; V949-W958 HydrophobicContact CG1-CG 4.39Å; V949-W958 HydrophobicContact CG2-CE3 4.21Å; V949-L959 WeakPolarHBondContact CG1-O 3.3Å; V949-F972 HydrophobicContact CG2-CZ 4.22Å
950	D	88.9	Confident	90	Very high	75 Å²	75	63.4 Å²	63.4	40%	0.401	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-27.3	176.8	-72.7	-38.8	0	0	0	112.3	V948 L959 H961 R969	V948-D950 PolarHBondContact O-N 3.42Å; D950-L959 PolarHBondContact N-O 3.37Å; D950-H961 VanDerWaalsContact CG-ND1 3.3Å; D950-H961 IonicContact OD1-CE1 2.74Å; D950-H961 PolarHBondContact OD1-CE1 3.29Å; D950-H961 IonicContact OD1-ND1 2.63Å; D950-H961 PolarHBondContact OD1-ND1 2.86Å; D950-H961 IonicContact OD2-CE1 3.78Å; D950-H961 IonicContact OD2-CG 2.64Å; D950-H961 IonicContact OD2-ND1 3.6Å; D950-H961 PolarHBondContact OD2-ND1 3.15Å; D950-R969 IonicContact OD2-CZ 2.96Å; D950-R969 IonicContact OD2-NE 2.64Å; D950-R969 IonicContact OD2-NH2 2.83Å; D950-R969 PolarHBondContact OD2-NH2 2.97Å
951	G	86	Confident	90.1	Very high	25 Å²	25	61.9 Å²	61.9	26%	0.258	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.5	172.4	-179.8	0	0	0	0	0	113.6	V949 L959	V949-G951 WeakPolarHBondContact CG1-O 3.31Å; G951-L959 PolarHBondContact N-O 3.32Å; G951-L959 VanDerWaalsContact N-O 3.08Å; G951-L959 PolarHBondContact O-N 3.34Å
952	E	86.5	Confident	90.1	Very high	114 Å²	114	62.1 Å²	62.1	53%	0.533	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.4	175.9	-60	172.6	-162.2	0	0	106.5	K923 W958	K923-E952 IonicContact NZ-OE1 3.49Å; K923-E952 PolarHBondContact NZ-OE1 3.47Å; E952-W958 HydrophobicContact CG-CD2 4.41Å; E952-W958 HydrophobicContact CG-CG 4.13Å
953	E	76.1	Confident	90	Very high	127 Å²	127	63.3 Å²	63.3	59%	0.593	32%	0.319	S	S	*	.	S	Bend	trans	-94.5	-45.7	-177.6	-175	154.7	-158.8	0	0	110.4	W957 L959	E953-W957 PolarHBondContact N-O 2.82Å; E953-W957 VanDerWaalsContact N-O 3.09Å; E953-L959 HydrophobicContact CB-CD1 4.45Å; E953-L959 HydrophobicContact CB-CG 4.44Å
954	D	82	Confident	89.7	Confident	88 Å²	88	61 Å²	61	47%	0.471	33%	0.329	S	S	.	.	S	Bend	trans	-143.7	-152.7	161.9	65.8	35.1	0	0	0	112	E956 W957	D954-E956 WeakPolarHBondContact OD1-CA 3.41Å; D954-E956 PolarHBondContact OD1-N 2.91Å; D954-W957 PolarHBondContact N-O 3.04Å; D954-W957 VanDerWaalsContact N-O 3.08Å; D954-W957 PolarHBondContact OD1-N 3.35Å
955	Q	77.1	Confident	89.7	Confident	184 Å²	184	62.1 Å²	62.1	86%	0.86	33%	0.328	S	S	*	.	S	Bend	trans	-85.2	-17.9	-179.3	-64.1	-174.6	1.4	0	0	113.5
956	E	84.1	Confident	89.3	Confident	141 Å²	141	63.8 Å²	63.8	66%	0.659	34%	0.342	S	S	*	.	S	Bend	trans	-110.4	-21.6	-178.3	-59.9	-167.9	152.2	0	0	112.2	D954 P973 V974	D954-E956 WeakPolarHBondContact OD1-CA 3.41Å; D954-E956 PolarHBondContact OD1-N 2.91Å; E956-P973 CarbonylContact O-C 3.59Å; E956-P973 VanDerWaalsContact O-CA 3.29Å; E956-P973 WeakPolarHBondContact O-CA 3.35Å; E956-V974 WeakPolarHBondContact O-CG2 3.37Å; E956-V974 PolarHBondContact O-N 3.37Å
957	W	91.1	Very high	88.9	Confident	85 Å²	85	70.6 Å²	70.6	32%	0.322	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129.8	179.7	-68.6	84.5	0	0	0	113.8	E938 E953 D954 A971 F972	E938-W957 HydrophobicContact CG-CH2 4.4Å; E938-W957 HydrophobicContact CG-CZ3 4.04Å; E953-W957 PolarHBondContact N-O 2.82Å; E953-W957 VanDerWaalsContact N-O 3.09Å; D954-W957 PolarHBondContact N-O 3.04Å; D954-W957 VanDerWaalsContact N-O 3.08Å; D954-W957 PolarHBondContact OD1-N 3.35Å; W957-A971 HydrophobicContact CE3-CB 3.93Å; W957-A971 HydrophobicContact CZ3-CB 4.42Å; W957-F972 WeakPolarHBondContact CA-O 3.47Å; W957-F972 VanDerWaalsContact CE3-C 3.48Å
958	W	93.8	Very high	88.7	Confident	24 Å²	24	74.3 Å²	74.3	9%	0.091	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	153.9	173.5	-67.1	-11.3	0	0	0	111.5	V925 V949 E952 A971 F972 V974 F979	V925-W958 HydrophobicContact CG1-CZ3 4.25Å; V949-W958 HydrophobicContact CG1-CB 4.07Å; V949-W958 HydrophobicContact CG1-CD2 4.4Å; V949-W958 HydrophobicContact CG1-CE3 4.2Å; V949-W958 HydrophobicContact CG1-CG 4.39Å; V949-W958 HydrophobicContact CG2-CE3 4.21Å; E952-W958 HydrophobicContact CG-CD2 4.41Å; E952-W958 HydrophobicContact CG-CG 4.13Å; W958-A971 CarbonylContact O-C 3.53Å; W958-A971 WeakPolarHBondContact O-CA 3.21Å; W958-F972 HydrophobicContact CB-CE1 4.06Å; W958-F972 HydrophobicContact CB-CE2 4.11Å; W958-F972 HydrophobicContact CB-CZ 3.72Å; W958-F972 HydrophobicContact CE3-CE2 4.21Å; W958-F972 HydrophobicContact CE3-CZ 4.21Å; W958-F972 PolarHBondContact N-O 3.11Å; W958-F972 WeakPolarHBondContact O-CD1 3.28Å; W958-F972 WeakPolarHBondContact O-CE1 3.45Å; W958-F972 PolarHBondContact O-N 2.89Å; W958-V974 HydrophobicContact CB-CG2 4.4Å; W958-V974 HydrophobicContact CD2-CG1 4.5Å; W958-V974 HydrophobicContact CD2-CG2 3.47Å; W958-V974 VanDerWaalsContact CD2-CG2 3.47Å; W958-V974 HydrophobicContact CE3-CG1 4.46Å; W958-V974 HydrophobicContact CE3-CG2 4.04Å; W958-V974 HydrophobicContact CG-CG2 3.63Å; W958-V974 HydrophobicContact CH2-CG1 3.62Å; W958-V974 HydrophobicContact CH2-CG2 4.31Å; W958-V974 HydrophobicContact CZ2-CB 4.47Å; W958-V974 HydrophobicContact CZ2-CG1 3.7Å; W958-V974 HydrophobicContact CZ2-CG2 3.83Å; W958-V974 HydrophobicContact CZ3-CG1 4.04Å; W958-V974 HydrophobicContact CZ3-CG2 4.42Å; W958-F979 HydrophobicContact CH2-CE1 4.23Å; W958-F979 AromaticContact CH2-CE2 3.78Å; W958-F979 HydrophobicContact CH2-CE2 3.78Å; W958-F979 AromaticContact CH2-CZ 3.35Å; W958-F979 HydrophobicContact CH2-CZ 3.35Å; W958-F979 HydrophobicContact CZ2-CZ 4.4Å; W958-F979 HydrophobicContact CZ3-CE1 4.18Å; W958-F979 HydrophobicContact CZ3-CE2 4.32Å; W958-F979 AromaticContact CZ3-CZ 3.73Å; W958-F979 HydrophobicContact CZ3-CZ 3.73Å
959	L	92.8	Very high	88.6	Confident	65 Å²	65	80.6 Å²	80.6	34%	0.34	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	137.3	176	-70.4	163.3	0	0	0	109.9	V949 D950 G951 E953 A971	V949-L959 WeakPolarHBondContact CG1-O 3.3Å; D950-L959 PolarHBondContact N-O 3.37Å; G951-L959 PolarHBondContact N-O 3.32Å; G951-L959 VanDerWaalsContact N-O 3.08Å; G951-L959 PolarHBondContact O-N 3.34Å; E953-L959 HydrophobicContact CB-CD1 4.45Å; E953-L959 HydrophobicContact CB-CG 4.44Å; L959-A971 HydrophobicContact CD2-CB 3.97Å
960	G	93.9	Very high	88.6	Confident	1 Å²	1	80.3 Å²	80.3	1%	0.01	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	-174.1	177.5	0	0	0	0	0	114.5	V948 R969 G970	V948-G960 CarbonylContact O-C 3.58Å; V948-G960 WeakPolarHBondContact O-CA 3.4Å; G960-R969 CarbonylContact O-C 3.57Å; G960-R969 WeakPolarHBondContact O-CA 3.34Å; G960-R969 WeakPolarHBondContact O-CB 3.47Å; G960-G970 PolarHBondContact N-O 3.38Å; G960-G970 PolarHBondContact O-N 2.74Å
961	H	95	Very high	88.8	Confident	34 Å²	34	77.2 Å²	77.2	16%	0.157	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	158	-179.6	63.3	-91.4	0	0	0	112.4	I947 V948 D950 R968 R969	I947-H961 CarbonylContact C-O 3.57Å; I947-H961 WeakPolarHBondContact CA-O 3.23Å; V948-H961 PolarHBondContact N-O 2.91Å; V948-H961 PolarHBondContact O-N 2.81Å; D950-H961 VanDerWaalsContact CG-ND1 3.3Å; D950-H961 IonicContact OD1-CE1 2.74Å; D950-H961 PolarHBondContact OD1-CE1 3.29Å; D950-H961 IonicContact OD1-ND1 2.63Å; D950-H961 PolarHBondContact OD1-ND1 2.86Å; D950-H961 IonicContact OD2-CE1 3.78Å; D950-H961 IonicContact OD2-CG 2.64Å; D950-H961 IonicContact OD2-ND1 3.6Å; D950-H961 PolarHBondContact OD2-ND1 3.15Å; H961-R968 VanDerWaalsContact CA-O 3.23Å; H961-R968 WeakPolarHBondContact CA-O 3.43Å; H961-R968 WeakPolarHBondContact CB-O 3.23Å; H961-R969 HydrophobicContact CB-CB 3.65Å
962	I	95.4	Very high	89.1	Confident	8 Å²	8	76 Å²	76	4%	0.041	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	133.9	-178.8	-61.7	-72.4	0	0	0	110.5	L939 F941 E945 I947 G964 D965 R968	L939-I962 HydrophobicContact CD1-CG1 4.27Å; L939-I962 HydrophobicContact CD2-CD1 4.37Å; F941-I962 HydrophobicContact CB-CD1 3.75Å; E945-I962 HydrophobicContact CB-CD1 4.12Å; I947-I962 HydrophobicContact CG1-CD1 3.79Å; I962-G964 PolarHBondContact O-N 2.8Å; I962-D965 HydrophobicContact CB-CB 4.46Å; I962-D965 CarbonylContact O-C 3.6Å; I962-D965 VanDerWaalsContact O-C 3.26Å; I962-D965 PolarHBondContact O-N 2.97Å; I962-R968 HydrophobicContact CB-CB 4.26Å; I962-R968 HydrophobicContact CG1-CB 3.95Å; I962-R968 PolarHBondContact N-O 3.22Å
963	E	91.6	Very high	89.4	Confident	86 Å²	86	71.2 Å²	71.2	40%	0.402	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	108.6	177.5	-174.6	164.8	-104.3	0	0	110.4	R924 V946 V948	R924-E963 IonicContact CZ-OE1 3.52Å; R924-E963 IonicContact CZ-OE2 2.66Å; R924-E963 IonicContact NE-OE1 3.34Å; R924-E963 PolarHBondContact NE-OE1 3.03Å; R924-E963 IonicContact NE-OE2 2.79Å; R924-E963 IonicContact NH2-OE1 2.79Å; R924-E963 PolarHBondContact NH2-OE1 3.13Å; R924-E963 IonicContact NH2-OE2 3.6Å; R924-E963 PolarHBondContact NH2-OE2 3.05Å; V946-E963 HydrophobicContact CB-CB 3.93Å; V946-E963 HydrophobicContact CG1-CB 4Å; V946-E963 WeakPolarHBondContact CG1-OE2 3.34Å; V946-E963 WeakPolarHBondContact O-CB 3.44Å; V946-E963 PolarHBondContact O-N 2.96Å; V948-E963 HydrophobicContact CG2-CB 4.1Å; V948-E963 HydrophobicContact CG2-CG 4.42Å
964	G	87.4	Confident	90.1	Very high	81 Å²	81	66.8 Å²	66.8	84%	0.835	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.6	-16.1	-173.2	0	0	0	0	0	114.4	I962	I962-G964 PolarHBondContact O-N 2.8Å
965	D	88.9	Confident	90.5	Very high	60 Å²	60	67.4 Å²	67.4	32%	0.321	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	85.4	172.3	-172.8	-9.5	0	0	0	111.8	I962 M967 R968	I962-D965 HydrophobicContact CB-CB 4.46Å; I962-D965 CarbonylContact O-C 3.6Å; I962-D965 VanDerWaalsContact O-C 3.26Å; I962-D965 PolarHBondContact O-N 2.97Å; D965-M967 PolarHBondContact O-N 3.3Å; D965-M967 VanDerWaalsContact O-N 3.13Å; D965-M967 WeakPolarHBondContact OD1-CB 3.27Å; D965-M967 PolarHBondContact OD1-N 3.29Å; D965-R968 HydrophobicContact CB-CB 4.39Å; D965-R968 PolarHBondContact O-N 3.39Å; D965-R968 PolarHBondContact OD1-N 2.72Å; D965-R968 WeakPolarHBondContact OD2-CD 3.36Å; D965-R968 VanDerWaalsContact OD2-CG 3.29Å; D965-R968 WeakPolarHBondContact OD2-CG 3.4Å
966	P	86.8	Confident	91.1	Very high	80 Å²	80	61.6 Å²	61.6	52%	0.519	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	-4.2	177.3	-20.7	34.3	0	0	0	115.4
967	M	85.4	Confident	91.6	Very high	173 Å²	173	55.6 Å²	55.6	85%	0.852	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	-28.5	174.5	-62.6	-65.5	171.8	0	0	111.3	D965 R969	D965-M967 PolarHBondContact O-N 3.3Å; D965-M967 VanDerWaalsContact O-N 3.13Å; D965-M967 WeakPolarHBondContact OD1-CB 3.27Å; D965-M967 PolarHBondContact OD1-N 3.29Å; M967-R969 VanDerWaalsContact C-N 3.32Å; M967-R969 PolarHBondContact O-N 3Å
968	R	92.3	Very high	91.5	Very high	77 Å²	77	56.7 Å²	56.7	29%	0.291	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	86.9	163.9	-73.7	176	64.1	-149.5	-4.1	109.1	L939 T940 E945 H961 I962 D965	L939-R968 VanDerWaalsContact CD1-C 3.45Å; L939-R968 HydrophobicContact CD1-CB 4.29Å; L939-R968 VanDerWaalsContact CD1-O 3.31Å; L939-R968 WeakPolarHBondContact CD1-O 3.16Å; T940-R968 PolarHBondContact O-NH2 3.24Å; E945-R968 IonicContact OE1-CZ 3.18Å; E945-R968 IonicContact OE1-NH1 2.76Å; E945-R968 PolarHBondContact OE1-NH1 3.36Å; E945-R968 IonicContact OE1-NH2 3Å; E945-R968 PolarHBondContact OE1-NH2 2.62Å; E945-R968 IonicContact OE2-CZ 3.6Å; E945-R968 IonicContact OE2-NH1 2.69Å; E945-R968 IonicContact OE2-NH2 3.9Å; E945-R968 PolarHBondContact OE2-NH2 2.71Å; H961-R968 VanDerWaalsContact CA-O 3.23Å; H961-R968 WeakPolarHBondContact CA-O 3.43Å; H961-R968 WeakPolarHBondContact CB-O 3.23Å; I962-R968 HydrophobicContact CB-CB 4.26Å; I962-R968 HydrophobicContact CG1-CB 3.95Å; I962-R968 PolarHBondContact N-O 3.22Å; D965-R968 HydrophobicContact CB-CB 4.39Å; D965-R968 PolarHBondContact O-N 3.39Å; D965-R968 PolarHBondContact OD1-N 2.72Å; D965-R968 WeakPolarHBondContact OD2-CD 3.36Å; D965-R968 VanDerWaalsContact OD2-CG 3.29Å; D965-R968 WeakPolarHBondContact OD2-CG 3.4Å
969	R	92.9	Very high	91.3	Very high	150 Å²	150	61.5 Å²	61.5	57%	0.566	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.5	150.5	179.9	75	175.1	-55	174.5	14.7	112.4	D950 G960 H961 M967	D950-R969 IonicContact OD2-CZ 2.96Å; D950-R969 IonicContact OD2-NE 2.64Å; D950-R969 IonicContact OD2-NH2 2.83Å; D950-R969 PolarHBondContact OD2-NH2 2.97Å; G960-R969 CarbonylContact O-C 3.57Å; G960-R969 WeakPolarHBondContact O-CA 3.34Å; G960-R969 WeakPolarHBondContact O-CB 3.47Å; H961-R969 HydrophobicContact CB-CB 3.65Å; M967-R969 VanDerWaalsContact C-N 3.32Å; M967-R969 PolarHBondContact O-N 3Å
970	G	92.5	Very high	91.1	Very high	8 Å²	8	60.9 Å²	60.9	8%	0.082	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.9	-174.9	178.5	0	0	0	0	0	112.8	D937 G960	D937-G970 CarbonylContact O-C 3.5Å; D937-G970 WeakPolarHBondContact O-CA 3.24Å; G960-G970 PolarHBondContact N-O 3.38Å; G960-G970 PolarHBondContact O-N 2.74Å
971	A	93.4	Very high	89.9	Confident	10 Å²	10	67.3 Å²	67.3	8%	0.083	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	141.5	169.7	0	0	0	0	0	110.8	D937 E938 L939 W957 W958 L959	D937-A971 PolarHBondContact O-N 2.91Å; E938-A971 CarbonylContact C-O 3.58Å; E938-A971 VanDerWaalsContact CA-O 3.3Å; E938-A971 WeakPolarHBondContact CA-O 3.18Å; L939-A971 PolarHBondContact N-O 2.92Å; W957-A971 HydrophobicContact CE3-CB 3.93Å; W957-A971 HydrophobicContact CZ3-CB 4.42Å; W958-A971 CarbonylContact O-C 3.53Å; W958-A971 WeakPolarHBondContact O-CA 3.21Å; L959-A971 HydrophobicContact CD2-CB 3.97Å
972	F	93.1	Very high	87.9	Confident	0 Å²	0	73 Å²	73	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	147.5	175.3	62.7	-86.9	0	0	0	111.5	V925 L939 F941 I947 V949 W957 W958 V977	V925-F972 HydrophobicContact CG2-CE2 4.17Å; V925-F972 HydrophobicContact CG2-CZ 4.22Å; L939-F972 HydrophobicContact CB-CB 4.32Å; L939-F972 HydrophobicContact CD2-CD1 4.21Å; F941-F972 HydrophobicContact CE1-CB 3.62Å; F941-F972 HydrophobicContact CE1-CG 4.47Å; F941-F972 HydrophobicContact CZ-CB 4.29Å; I947-F972 HydrophobicContact CD1-CD2 4.49Å; I947-F972 HydrophobicContact CD1-CG 4.49Å; I947-F972 HydrophobicContact CG2-CD1 4.09Å; I947-F972 HydrophobicContact CG2-CE1 3.59Å; I947-F972 HydrophobicContact CG2-CZ 3.9Å; V949-F972 HydrophobicContact CG2-CZ 4.22Å; W957-F972 WeakPolarHBondContact CA-O 3.47Å; W957-F972 VanDerWaalsContact CE3-C 3.48Å; W958-F972 HydrophobicContact CB-CE1 4.06Å; W958-F972 HydrophobicContact CB-CE2 4.11Å; W958-F972 HydrophobicContact CB-CZ 3.72Å; W958-F972 HydrophobicContact CE3-CE2 4.21Å; W958-F972 HydrophobicContact CE3-CZ 4.21Å; W958-F972 PolarHBondContact N-O 3.11Å; W958-F972 WeakPolarHBondContact O-CD1 3.28Å; W958-F972 WeakPolarHBondContact O-CE1 3.45Å; W958-F972 PolarHBondContact O-N 2.89Å; F972-V977 HydrophobicContact CD2-CG1 3.95Å; F972-V977 HydrophobicContact CD2-CG2 4.46Å; F972-V977 HydrophobicContact CE2-CG1 3.95Å; F972-V977 HydrophobicContact CE2-CG2 3.94Å
973	P	92.2	Very high	87.5	Confident	14 Å²	14	76.3 Å²	76.3	9%	0.091	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	131.5	178	28.4	-33.3	0	0	0	111.3	E956 T975 F976	E956-P973 CarbonylContact O-C 3.59Å; E956-P973 VanDerWaalsContact O-CA 3.29Å; E956-P973 WeakPolarHBondContact O-CA 3.35Å; P973-T975 PolarHBondContact O-N 3.08Å; P973-F976 HydrophobicContact CB-CD2 4.1Å; P973-F976 HydrophobicContact CG-CB 4.09Å; P973-F976 HydrophobicContact CG-CD1 4.46Å; P973-F976 HydrophobicContact CG-CD2 3.51Å; P973-F976 HydrophobicContact CG-CE2 4.02Å; P973-F976 HydrophobicContact CG-CG 3.78Å; P973-F976 PolarHBondContact O-N 2.75Å
974	V	90.8	Very high	87.3	Confident	34 Å²	34	75.7 Å²	75.7	21%	0.206	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-60.2	-28.7	-179.3	-179.4	0	0	0	0	111.9	E956 W958 F976 V977	E956-V974 WeakPolarHBondContact O-CG2 3.37Å; E956-V974 PolarHBondContact O-N 3.37Å; W958-V974 HydrophobicContact CB-CG2 4.4Å; W958-V974 HydrophobicContact CD2-CG1 4.5Å; W958-V974 HydrophobicContact CD2-CG2 3.47Å; W958-V974 VanDerWaalsContact CD2-CG2 3.47Å; W958-V974 HydrophobicContact CE3-CG1 4.46Å; W958-V974 HydrophobicContact CE3-CG2 4.04Å; W958-V974 HydrophobicContact CG-CG2 3.63Å; W958-V974 HydrophobicContact CH2-CG1 3.62Å; W958-V974 HydrophobicContact CH2-CG2 4.31Å; W958-V974 HydrophobicContact CZ2-CB 4.47Å; W958-V974 HydrophobicContact CZ2-CG1 3.7Å; W958-V974 HydrophobicContact CZ2-CG2 3.83Å; W958-V974 HydrophobicContact CZ3-CG1 4.04Å; W958-V974 HydrophobicContact CZ3-CG2 4.42Å; V974-F976 PolarHBondContact O-N 2.99Å; V974-V977 VanDerWaalsContact O-CG2 3.31Å; V974-V977 WeakPolarHBondContact O-CG2 3.2Å; V974-V977 PolarHBondContact O-N 2.76Å
975	T	90.1	Very high	87.3	Confident	100 Å²	100	75.4 Å²	75.4	61%	0.613	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-69	-11.7	178	51.1	0	0	0	0	114.3	P973	P973-T975 PolarHBondContact O-N 3.08Å
976	F	90.8	Very high	87.2	Confident	63 Å²	63	76.4 Å²	76.4	28%	0.276	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-96	3.7	179	-80.5	-127.6	0	0	0	113.3	A927 I928 Y929 C931 F941 P973 V974	A927-F976 WeakPolarHBondContact CA-O 3.25Å; I928-F976 VanDerWaalsContact CG1-C 3.49Å; I928-F976 VanDerWaalsContact CG1-O 3.26Å; I928-F976 WeakPolarHBondContact CG1-O 3.44Å; I928-F976 PolarHBondContact N-O 3.48Å; Y929-F976 HydrophobicContact CD2-CB 4.47Å; Y929-F976 HydrophobicContact CD2-CD1 4.19Å; Y929-F976 HydrophobicContact CD2-CD2 4.38Å; Y929-F976 HydrophobicContact CD2-CG 4.09Å; Y929-F976 HydrophobicContact CG-CD1 4.47Å; C931-F976 HydrophobicContact CB-CD1 3.98Å; C931-F976 HydrophobicContact CB-CE1 4.32Å; F941-F976 HydrophobicContact CE2-CB 4.12Å; F941-F976 HydrophobicContact CZ-CB 3.8Å; F941-F976 HydrophobicContact CZ-CD1 4.35Å; F941-F976 HydrophobicContact CZ-CG 4.49Å; P973-F976 HydrophobicContact CB-CD2 4.1Å; P973-F976 HydrophobicContact CG-CB 4.09Å; P973-F976 HydrophobicContact CG-CD1 4.46Å; P973-F976 HydrophobicContact CG-CD2 3.51Å; P973-F976 HydrophobicContact CG-CE2 4.02Å; P973-F976 HydrophobicContact CG-CG 3.78Å; P973-F976 PolarHBondContact O-N 2.75Å; V974-F976 PolarHBondContact O-N 2.99Å
977	V	93.1	Very high	87.2	Confident	14 Å²	14	76.1 Å²	76.1	9%	0.085	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	156.2	-174.5	-58.6	0	0	0	0	113.7	V925 K926 I947 F972 V974	V925-V977 HydrophobicContact CB-CB 3.89Å; V925-V977 HydrophobicContact CB-CG2 3.98Å; V925-V977 HydrophobicContact CG1-CG2 4.35Å; V925-V977 HydrophobicContact CG2-CB 3.76Å; V925-V977 HydrophobicContact CG2-CG1 3.85Å; V925-V977 HydrophobicContact CG2-CG2 3.87Å; K926-V977 CarbonylContact O-C 3.51Å; K926-V977 VanDerWaalsContact O-CA 3.23Å; K926-V977 WeakPolarHBondContact O-CA 3.41Å; I947-V977 HydrophobicContact CD1-CG1 3.97Å; F972-V977 HydrophobicContact CD2-CG1 3.95Å; F972-V977 HydrophobicContact CD2-CG2 4.46Å; F972-V977 HydrophobicContact CE2-CG1 3.95Å; F972-V977 HydrophobicContact CE2-CG2 3.94Å; V974-V977 VanDerWaalsContact O-CG2 3.31Å; V974-V977 WeakPolarHBondContact O-CG2 3.2Å; V974-V977 PolarHBondContact O-N 2.76Å
978	L	90.6	Very high	87.4	Confident	109 Å²	109	69.7 Å²	69.7	57%	0.571	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	142.7	167.9	-72.6	176.8	0	0	0	110.9	V925 K926 I928 I980	V925-L978 CarbonylContact C-O 3.57Å; V925-L978 WeakPolarHBondContact CA-O 3.5Å; V925-L978 WeakPolarHBondContact CB-O 3.42Å; K926-L978 PolarHBondContact N-O 3.33Å; K926-L978 PolarHBondContact O-N 2.75Å; I928-L978 HydrophobicContact CD1-CG 4.4Å; I928-L978 HydrophobicContact CG2-CB 4.3Å; I928-L978 HydrophobicContact CG2-CD1 3.59Å; I928-L978 HydrophobicContact CG2-CG 3.66Å; L978-I980 PolarHBondContact O-N 3.13Å
979	F	88.5	Confident	87	Confident	124 Å²	124	69.1 Å²	69.1	54%	0.544	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	133	173.8	-81.6	-74.2	0	0	0	112.4	K923 V925 W958	K923-F979 HydrophobicContact CD-CE1 4.27Å; V925-F979 HydrophobicContact CG1-CD1 3.88Å; V925-F979 HydrophobicContact CG1-CE1 4.12Å; V925-F979 HydrophobicContact CG1-CG 4.45Å; W958-F979 HydrophobicContact CH2-CE1 4.23Å; W958-F979 AromaticContact CH2-CE2 3.78Å; W958-F979 HydrophobicContact CH2-CE2 3.78Å; W958-F979 AromaticContact CH2-CZ 3.35Å; W958-F979 HydrophobicContact CH2-CZ 3.35Å; W958-F979 HydrophobicContact CZ2-CZ 4.4Å; W958-F979 HydrophobicContact CZ3-CE1 4.18Å; W958-F979 HydrophobicContact CZ3-CE2 4.32Å; W958-F979 AromaticContact CZ3-CZ 3.73Å; W958-F979 HydrophobicContact CZ3-CZ 3.73Å
980	I	88.3	Confident	86.6	Confident	52 Å²	52	62.9 Å²	62.9	27%	0.267	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.8	164.7	-45.3	176.1	0	0	0	107.7	R924 K926 V946 L978	R924-I980 HydrophobicContact CB-CB 4.43Å; R924-I980 PolarHBondContact O-N 3.14Å; K926-I980 HydrophobicContact CB-CD1 3.89Å; K926-I980 HydrophobicContact CB-CG1 3.92Å; V946-I980 HydrophobicContact CB-CD1 4.3Å; V946-I980 HydrophobicContact CG1-CD1 3.65Å; V946-I980 HydrophobicContact CG2-CD1 3.73Å; L978-I980 PolarHBondContact O-N 3.13Å
981	T	69.3	Low	86.1	Confident	136 Å²	136	67.5 Å²	67.5	83%	0.834	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-96	127.4	166.5	41.5	0	0	0	0	110.2
982	D	52.9	Low	85.4	Confident	154 Å²	154	72.7 Å²	72.7	82%	0.824	39%	0.392	S	S	*	.			trans	-92.3	0	171.6	-71.7	-53.4	0	0	0	112.6	R924	R924-D982 IonicContact CZ-OD1 3.84Å; R924-D982 IonicContact CZ-OD2 2.7Å; R924-D982 IonicContact NH1-OD1 3.7Å; R924-D982 PolarHBondContact NH1-OD1 3.07Å; R924-D982 IonicContact NH1-OD2 3.57Å; R924-D982 PolarHBondContact NH1-OD2 2.61Å

Retrieved 982 of 982 residues in 666.9 ms (Link to these results)

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