A0A096MCD3_POEFO Loading...

Rho guanine nucleotide exchange factor (GEF) 1

AlphaFold DB , UniProt , Accession A0A096MCD3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,040 aa.

						>A0A096MCD3_POEFO|A0A096MCD3
MSIIGAEDEDFESDLADSADDKCPHFDSIDLLKKRPTHLLVFMQHVILQFDPAPLLCYLHADIVKNLNARDTKKQFPEFYNNFLEKGAILRVSMPSSLSFELDRTRPELLSDDTQRRYAADVQKFQTAEVAKQLEDFRQKRMMGMTLCEEQVMDVENHYPTDRVPLDMKEKSVAENLLEKMFDSQLTFVPDEDKCQAVFSAVAAYMKHLEVKNRAGDSKKSKRGFPWIKQKNHDPQKSKIRGFHVPTWIGGSIEVKPKDPEVDKDPKGREIKGVSGRGSLTETPVPSAKKPENTASAPNAEPAGNNLTPTTTEPTPADGLSGLGSLELPSPPDGPLPEIGPGVSVVEHSSPHDTHPEESDRERRKPSRKVGRSESARVDRHSSRRRGSSRKQSRSRSDVDLQPPSSATSPAPLSPQHLHPLDGPAFPSEVPGQPPTSPSPQLEEIDPRLQELEQDPPSWRVLASSDTLKNLGKKETKRQEVINELFATEHAHVRMLSVLQWVFAKPLEREEILSALDLETIFPSLEEIIDMHYTFYESLKKLRVSDNYVVKNISPTLLNRFGGPEGEWFQKLTARFCSYQTYALDQIKQRQKKDARFNAFIQEAESKPQCRRLQLKDIIPTEMQRLTKYPLLLENIAKNTEEKEEKESIQQSAECCRKILNHVNEEVKTMGNMLTLKEYQKKLDTSGLKASVELYAEYKSIDLTQRKMLFEGPLVWRVTKEKAIDVHCLLLDDMLVLAQKQEDKMLLKCQSKSNMTAQEGKQMLSPIIKLDSVFLREVATDRKAFYVIFTWDSGAQIYELVAQSVAEMKTWHDIIKSTVDVLKKSGASMRLSIPHGVGVTPLSPTTLIAPLNPSENGSLRGSSDQERDSVTGHNAVHPGLKLIEMLTDRGFVHVLDHSSRNQEKVADGALDEVMSLKRLLIGSISLSEDSQPEEEHEEEQPEKPSDETEAPQPAEESECTDSGYMQVNASPSTKEDGAKQEDEDGSISAPLVLSQERRDEVCRRLDSLLQMIQRLQAVEEEHHKLSEVLSEFSLEGANFQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31	Very low	30.5	Very low	184 Å²	184	147.1 Å²	147.1	91%	0.906	80%	0.801	S	S	*	*				0	164	0	-59.6	-178.4	-150.8	0	0	108.8
2	S	24.8	Very low	30.6	Very low	118 Å²	118	150.8 Å²	150.8	83%	0.825	81%	0.809	S	S	*	*			trans	-70.6	134.1	-178.9	-159.5	0	0	0	0	110.8
3	I	28.9	Very low	30.6	Very low	151 Å²	151	147.1 Å²	147.1	77%	0.774	80%	0.801	S	S	*	*			trans	-69	136.7	164.3	-61.3	162.9	0	0	0	107.1
4	I	31.1	Very low	30.5	Very low	167 Å²	167	147.8 Å²	147.8	86%	0.856	80%	0.804	S	S	*	*			trans	-97.4	90.2	161.5	-58.7	177.2	0	0	0	105.2
5	G	27.2	Very low	31.2	Very low	46 Å²	46	149.5 Å²	149.5	47%	0.474	81%	0.811	S	S	.	*	P	Polyproline II helix	trans	-71	147.4	157.1	0	0	0	0	0	107.5
6	A	31.4	Very low	31.1	Very low	99 Å²	99	146.1 Å²	146.1	82%	0.818	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-60.7	139.1	157.4	0	0	0	0	0	107.6
7	E	31.5	Very low	30.9	Very low	184 Å²	184	144.1 Å²	144.1	86%	0.86	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-75.3	136.3	176	-64.7	177.6	125.2	0	0	108.3	E9	E7-E9 PolarHBondContact O-N 2.65Å; E7-E9 VanDerWaalsContact O-N 3.16Å
8	D	31.5	Very low	31	Very low	164 Å²	164	142.1 Å²	142.1	88%	0.877	80%	0.795	S	S	*	*			trans	-67.2	109.8	175.4	-62.6	-66.4	0	0	0	109
9	E	34.9	Very low	31.2	Very low	158 Å²	158	138.9 Å²	138.9	74%	0.738	79%	0.789	S	S	*	*			trans	-95.6	117	165.6	-71.7	-159.5	147.5	0	0	110	E7 F11	E7-E9 PolarHBondContact O-N 2.65Å; E7-E9 VanDerWaalsContact O-N 3.16Å; E9-F11 HydrophobicContact CB-CD2 4.38Å; E9-F11 HydrophobicContact CB-CE2 4.48Å; E9-F11 PolarHBondContact O-N 2.77Å; E9-F11 VanDerWaalsContact O-N 3.15Å
10	D	34	Very low	31.7	Very low	162 Å²	162	138 Å²	138	87%	0.866	78%	0.781	S	S	*	*			trans	-61.8	109.6	179.2	-68.8	-60.4	0	0	0	111.8
11	F	29.6	Very low	32.1	Very low	185 Å²	185	138.1 Å²	138.1	81%	0.811	78%	0.78	S	S	*	*			trans	-121	66	174	-94.1	-81.9	0	0	0	112.6	E9	E9-F11 HydrophobicContact CB-CD2 4.38Å; E9-F11 HydrophobicContact CB-CE2 4.48Å; E9-F11 PolarHBondContact O-N 2.77Å; E9-F11 VanDerWaalsContact O-N 3.15Å
12	E	30.8	Very low	33	Very low	192 Å²	192	135.5 Å²	135.5	90%	0.897	76%	0.763	S	S	*	*			trans	-95.3	127.1	155.3	-81.9	-152.5	137.1	0	0	111.1
13	S	30.9	Very low	34.9	Very low	102 Å²	102	130.5 Å²	130.5	71%	0.713	73%	0.729	S	S	*	*			trans	53.8	96.7	167	-173.3	0	0	0	0	117.8
14	D	28.6	Very low	36.9	Very low	157 Å²	157	126.8 Å²	126.8	84%	0.84	71%	0.714	S	S	*	*				-138	134.7	111	-117.1	-26.7	0	0	0	111.8	A16	D14-A16 PolarHBondContact O-N 2.72Å
15	L	41.6	Very low	39.3	Very low	174 Å²	174	121.4 Å²	121.4	91%	0.911	69%	0.685	S	S	*	*			trans	-97.1	82.9	-178.7	-80.5	168.4	0	0	0	110.1
16	A	29.2	Very low	42.2	Very low	95 Å²	95	119.4 Å²	119.4	79%	0.785	66%	0.664	S	S	*	*			trans	-95.3	142.5	162.9	0	0	0	0	0	110.3	D14	D14-A16 PolarHBondContact O-N 2.72Å
17	D	27.9	Very low	44.8	Very low	112 Å²	112	118.6 Å²	118.6	60%	0.599	65%	0.646	S	S	*	*			trans	-68	145.6	-176.7	-130.7	-22.6	0	0	0	111.6	A19 K473	D17-A19 PolarHBondContact O-N 3.43Å; D17-K473 IonicContact OD1-NZ 2.71Å; D17-K473 PolarHBondContact OD1-NZ 3.15Å; D17-K473 IonicContact OD2-NZ 2.76Å; D17-K473 PolarHBondContact OD2-NZ 2.96Å
18	S	33.8	Very low	47.6	Very low	108 Å²	108	111.8 Å²	111.8	76%	0.755	62%	0.618	S	S	*	*			trans	-75.8	69.6	175.7	63.4	0	0	0	0	111.2	D20	S18-D20 PolarHBondContact O-N 3.28Å
19	A	33.2	Very low	50.4	Low	82 Å²	82	104.7 Å²	104.7	68%	0.678	58%	0.58	S	S	*	*			trans	-81.2	104.6	172.7	0	0	0	0	0	109.9	D17 D21	D17-A19 PolarHBondContact O-N 3.43Å; A19-D21 PolarHBondContact O-N 3.09Å
20	D	41.4	Very low	53	Low	120 Å²	120	100.9 Å²	100.9	64%	0.642	57%	0.565	S	S	*	*			trans	6	76	161.5	-169.5	31.3	0	0	0	116	S18 K22	S18-D20 PolarHBondContact O-N 3.28Å; D20-K22 PolarHBondContact O-N 3.04Å; D20-K22 IonicContact OD1-NZ 3.72Å; D20-K22 PolarHBondContact OD1-NZ 2.89Å; D20-K22 IonicContact OD2-NZ 2.72Å; D20-K22 PolarHBondContact OD2-NZ 3.26Å
21	D	41.2	Very low	55.7	Low	141 Å²	141	96.4 Å²	96.4	75%	0.754	54%	0.54	S	S	*	.			trans	-78.7	60.6	-174.7	-167.6	11.6	0	0	0	112.5	A19 C23	A19-D21 PolarHBondContact O-N 3.09Å; D21-C23 VanDerWaalsContact C-N 3.28Å; D21-C23 PolarHBondContact O-N 3.35Å; D21-C23 PolarHBondContact OD1-N 2.98Å
22	K	49.2	Very low	58.6	Low	128 Å²	128	87.6 Å²	87.6	56%	0.557	50%	0.502	S	S	*	.			trans	-75	88	152.9	-62.5	-177.5	-172.8	70.4	0	107	D20 P24	D20-K22 PolarHBondContact O-N 3.04Å; D20-K22 IonicContact OD1-NZ 3.72Å; D20-K22 PolarHBondContact OD1-NZ 2.89Å; D20-K22 IonicContact OD2-NZ 2.72Å; D20-K22 PolarHBondContact OD2-NZ 3.26Å; K22-P24 WeakPolarHBondContact O-CD 3.31Å
23	C	64.8	Low	61.5	Low	14 Å²	14	79.5 Å²	79.5	10%	0.095	46%	0.464	C	S	.	.			trans	-52.1	108.3	164.4	165.4	0	0	0	0	109	D21 H25 R141 E156	D21-C23 VanDerWaalsContact C-N 3.28Å; D21-C23 PolarHBondContact O-N 3.35Å; D21-C23 PolarHBondContact OD1-N 2.98Å; C23-H25 PolarHBondContact O-N 3.43Å; C23-H25 VanDerWaalsContact O-N 3.1Å; C23-H25 PolarHBondContact SG-ND1 3.48Å; C23-R141 VanDerWaalsContact CB-NH1 3.28Å; C23-R141 PolarHBondContact SG-NH1 3.37Å; C23-E156 WeakPolarHBondContact CB-OE1 3.25Å; C23-E156 PolarHBondContact SG-OE1 2.89Å
24	P	71.6	Confident	64.3	Low	73 Å²	73	82 Å²	82	47%	0.474	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-75.1	-11.2	-164.9	30.6	-35.9	0	0	0	111.8	K22 F26 D27 L31	K22-P24 WeakPolarHBondContact O-CD 3.31Å; P24-F26 PolarHBondContact O-N 3.37Å; P24-F26 VanDerWaalsContact O-N 3.14Å; P24-D27 PolarHBondContact O-N 2.94Å; P24-D27 VanDerWaalsContact O-N 3.15Å; P24-L31 WeakPolarHBondContact O-CD1 3.3Å
25	H	81.7	Confident	67.2	Low	54 Å²	54	75.8 Å²	75.8	25%	0.25	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-58.4	-27.6	-179.1	-57.6	113.9	0	0	0	113	C23 L31 L32 R35 H38	C23-H25 PolarHBondContact O-N 3.43Å; C23-H25 VanDerWaalsContact O-N 3.1Å; C23-H25 PolarHBondContact SG-ND1 3.48Å; H25-L31 WeakPolarHBondContact O-CB 3.44Å; H25-L32 WeakPolarHBondContact O-CD2 3.2Å; H25-L32 VanDerWaalsContact O-CG 3.27Å; H25-L32 WeakPolarHBondContact O-CG 3.25Å; H25-L32 PolarHBondContact O-N 2.76Å; H25-R35 PolarHBondContact CD2-NE 2.66Å; H25-R35 PolarHBondContact NE2-NE 3.04Å; H25-R35 VanDerWaalsContact NE2-NE 3.15Å; H25-H38 AromaticContact CG-CD2 3.86Å; H25-H38 AromaticContact ND1-CD2 3.81Å; H25-H38 AromaticContact ND1-NE2 3.61Å
26	F	88.1	Confident	69.7	Low	4 Å²	4	67.8 Å²	67.8	2%	0.018	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-93.3	-4.9	-179	-66.4	-85.6	0	0	0	114.4	P24 S28 L32 H38 F42 L134 F137 R138 R141 V152	P24-F26 PolarHBondContact O-N 3.37Å; P24-F26 VanDerWaalsContact O-N 3.14Å; F26-S28 PolarHBondContact O-N 3Å; F26-L32 HydrophobicContact CD1-CD1 4.06Å; F26-L32 HydrophobicContact CD1-CD2 3.52Å; F26-L32 HydrophobicContact CD1-CG 4.33Å; F26-L32 HydrophobicContact CE1-CD1 4.47Å; F26-L32 HydrophobicContact CE1-CD2 3.61Å; F26-L32 HydrophobicContact CG-CD2 4.02Å; F26-L32 HydrophobicContact CZ-CD2 4.2Å; F26-H38 HydrophobicContact CE1-CB 4.32Å; F26-H38 HydrophobicContact CE2-CB 4.24Å; F26-H38 AromaticContact CE2-CD2 3.67Å; F26-H38 HydrophobicContact CZ-CB 3.77Å; F26-F42 HydrophobicContact CE1-CB 4.38Å; F26-L134 HydrophobicContact CD1-CD1 4.49Å; F26-L134 WeakPolarHBondContact O-CD1 3.35Å; F26-L134 WeakPolarHBondContact O-CD2 3.36Å; F26-L134 WeakPolarHBondContact O-CG 3.46Å; F26-F137 AromaticContact CD1-CD1 3.54Å; F26-F137 HydrophobicContact CD1-CD1 3.54Å; F26-F137 AromaticContact CD1-CE1 3.15Å; F26-F137 HydrophobicContact CD1-CE1 3.15Å; F26-F137 HydrophobicContact CD1-CZ 4.01Å; F26-F137 HydrophobicContact CD2-CE1 4.4Å; F26-F137 AromaticContact CE1-CD1 3.93Å; F26-F137 HydrophobicContact CE1-CD1 3.93Å; F26-F137 AromaticContact CE1-CE1 3.15Å; F26-F137 HydrophobicContact CE1-CE1 3.15Å; F26-F137 AromaticContact CE1-CZ 3.51Å; F26-F137 HydrophobicContact CE1-CZ 3.51Å; F26-F137 HydrophobicContact CE2-CE1 4.38Å; F26-F137 HydrophobicContact CG-CD1 4.25Å; F26-F137 AromaticContact CG-CE1 3.84Å; F26-F137 HydrophobicContact CG-CE1 3.84Å; F26-F137 AromaticContact CZ-CE1 3.8Å; F26-F137 HydrophobicContact CZ-CE1 3.8Å; F26-F137 AromaticContact CZ-CZ 3.99Å; F26-F137 HydrophobicContact CZ-CZ 3.99Å; F26-R138 HydrophobicContact CB-CG 3.92Å; F26-R138 VanDerWaalsContact O-CD 3.3Å; F26-R138 WeakPolarHBondContact O-CD 3.01Å; F26-R138 PolarHBondContact O-NE 2.93Å; F26-R141 VanDerWaalsContact CE2-NH1 3.3Å; F26-V152 HydrophobicContact CE2-CG1 4.18Å; F26-V152 HydrophobicContact CZ-CG1 4.34Å
27	D	85.6	Confident	72.7	Confident	82 Å²	82	63.3 Å²	63.3	44%	0.439	35%	0.348	S	S	.	.	S	Bend	trans	-70.1	-20.1	179.5	-73.9	-37.3	0	0	0	113.6	P24 R138	P24-D27 PolarHBondContact O-N 2.94Å; P24-D27 VanDerWaalsContact O-N 3.15Å; D27-R138 IonicContact OD1-NH1 2.66Å; D27-R138 PolarHBondContact OD1-NH1 2.93Å
28	S	89.8	Confident	75.8	Confident	41 Å²	41	58 Å²	58	29%	0.287	32%	0.319	S	S	.	.			trans	-150.3	143.5	174.8	175.5	0	0	0	0	112.4	F26 D30 L31 L32	F26-S28 PolarHBondContact O-N 3Å; S28-D30 PolarHBondContact O-N 3.38Å; S28-D30 PolarHBondContact OG-N 3.07Å; S28-D30 VanDerWaalsContact OG-N 3.15Å; S28-L31 WeakPolarHBondContact O-CB 3.4Å; S28-L31 PolarHBondContact O-N 3.38Å; S28-L32 PolarHBondContact O-N 3.11Å
29	I	91.4	Very high	78.6	Confident	15 Å²	15	52.8 Å²	52.8	8%	0.077	28%	0.283	C	S	.	.	H	α-helix	trans	-58	-26.8	171.6	-167.5	62.2	0	0	0	112.4	L31 L32 K33 L39 F42 L55 Y58 L59 V130 L134	I29-L31 VanDerWaalsContact C-N 3.27Å; I29-L31 PolarHBondContact O-N 2.89Å; I29-L32 HydrophobicContact CD1-CB 4.38Å; I29-L32 HydrophobicContact CD1-CD1 4.31Å; I29-L32 PolarHBondContact O-N 3.18Å; I29-K33 WeakPolarHBondContact O-CB 3.36Å; I29-K33 VanDerWaalsContact O-CG 3.31Å; I29-K33 WeakPolarHBondContact O-CG 3.47Å; I29-K33 PolarHBondContact O-N 3.06Å; I29-L39 HydrophobicContact CD1-CD1 4.13Å; I29-F42 HydrophobicContact CD1-CD1 4.33Å; I29-F42 HydrophobicContact CD1-CE1 4Å; I29-L55 HydrophobicContact CD1-CD1 4.11Å; I29-Y58 HydrophobicContact CB-CE1 4.49Å; I29-Y58 HydrophobicContact CG1-CD1 4.29Å; I29-Y58 HydrophobicContact CG1-CE1 3.78Å; I29-Y58 HydrophobicContact CG2-CE1 3.86Å; I29-Y58 WeakPolarHBondContact CG2-OH 3.29Å; I29-L59 HydrophobicContact CD1-CD2 4.3Å; I29-L59 HydrophobicContact CG1-CD2 4.38Å; I29-V130 HydrophobicContact CB-CG1 4.38Å; I29-V130 HydrophobicContact CD1-CG1 4.33Å; I29-V130 HydrophobicContact CG1-CG1 4.09Å; I29-L134 HydrophobicContact CB-CD2 4.44Å
30	D	89.4	Confident	81.5	Confident	78 Å²	78	48.9 Å²	48.9	42%	0.417	25%	0.251	S	S	.	.	H	α-helix	trans	-73	-16.1	174.9	-72.3	-59.3	0	0	0	114.1	S28 K33 K34	S28-D30 PolarHBondContact O-N 3.38Å; S28-D30 PolarHBondContact OG-N 3.07Å; S28-D30 VanDerWaalsContact OG-N 3.15Å; D30-K33 WeakPolarHBondContact OD1-CE 3.43Å; D30-K33 IonicContact OD1-NZ 3.71Å; D30-K33 PolarHBondContact OD1-NZ 3.08Å; D30-K34 VanDerWaalsContact O-CE 3.32Å; D30-K34 WeakPolarHBondContact O-CE 3.48Å
31	L	90.1	Very high	83.9	Confident	67 Å²	67	43.3 Å²	43.3	35%	0.351	22%	0.221	S	C	.	.	H	α-helix	trans	-87.9	-45.8	169.8	-61	175.3	0	0	0	110.1	P24 H25 S28 I29 K33 K34	P24-L31 WeakPolarHBondContact O-CD1 3.3Å; H25-L31 WeakPolarHBondContact O-CB 3.44Å; S28-L31 WeakPolarHBondContact O-CB 3.4Å; S28-L31 PolarHBondContact O-N 3.38Å; I29-L31 VanDerWaalsContact C-N 3.27Å; I29-L31 PolarHBondContact O-N 2.89Å; L31-K33 VanDerWaalsContact C-N 3.31Å; L31-K33 PolarHBondContact O-N 3.27Å; L31-K34 WeakPolarHBondContact O-CB 3.43Å; L31-K34 PolarHBondContact O-N 2.57Å
32	L	90.8	Very high	86.4	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-56.8	-39.9	174.5	-66.8	-178	0	0	0	113.4	H25 F26 S28 I29 K34 R35 H38 L39 F42 L134	H25-L32 WeakPolarHBondContact O-CD2 3.2Å; H25-L32 VanDerWaalsContact O-CG 3.27Å; H25-L32 WeakPolarHBondContact O-CG 3.25Å; H25-L32 PolarHBondContact O-N 2.76Å; F26-L32 HydrophobicContact CD1-CD1 4.06Å; F26-L32 HydrophobicContact CD1-CD2 3.52Å; F26-L32 HydrophobicContact CD1-CG 4.33Å; F26-L32 HydrophobicContact CE1-CD1 4.47Å; F26-L32 HydrophobicContact CE1-CD2 3.61Å; F26-L32 HydrophobicContact CG-CD2 4.02Å; F26-L32 HydrophobicContact CZ-CD2 4.2Å; S28-L32 PolarHBondContact O-N 3.11Å; I29-L32 HydrophobicContact CD1-CB 4.38Å; I29-L32 HydrophobicContact CD1-CD1 4.31Å; I29-L32 PolarHBondContact O-N 3.18Å; L32-K34 PolarHBondContact O-N 2.88Å; L32-R35 PolarHBondContact O-N 3.1Å; L32-H38 HydrophobicContact CD2-CB 3.73Å; L32-L39 HydrophobicContact CB-CB 4.34Å; L32-L39 HydrophobicContact CB-CD1 4.02Å; L32-L39 WeakPolarHBondContact O-CB 3.34Å; L32-F42 HydrophobicContact CD1-CB 4.09Å; L32-F42 HydrophobicContact CD1-CD1 3.69Å; L32-F42 HydrophobicContact CD1-CE1 4.35Å; L32-F42 HydrophobicContact CD1-CG 3.94Å; L32-L134 HydrophobicContact CD1-CD1 3.62Å
33	K	91.2	Very high	88.5	Confident	22 Å²	22	30.6 Å²	30.6	10%	0.096	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-16.9	176.5	-79.5	-174.8	-60.9	180	0	114.4	I29 D30 L31 L59 D62 Y205 L209	I29-K33 WeakPolarHBondContact O-CB 3.36Å; I29-K33 VanDerWaalsContact O-CG 3.31Å; I29-K33 WeakPolarHBondContact O-CG 3.47Å; I29-K33 PolarHBondContact O-N 3.06Å; D30-K33 WeakPolarHBondContact OD1-CE 3.43Å; D30-K33 IonicContact OD1-NZ 3.71Å; D30-K33 PolarHBondContact OD1-NZ 3.08Å; L31-K33 VanDerWaalsContact C-N 3.31Å; L31-K33 PolarHBondContact O-N 3.27Å; K33-L59 HydrophobicContact CD-CD2 3.88Å; K33-L59 HydrophobicContact CG-CD2 3.7Å; K33-D62 HydrophobicContact CD-CB 4.47Å; K33-D62 WeakPolarHBondContact CD-OD2 3.46Å; K33-D62 IonicContact NZ-OD1 2.65Å; K33-D62 PolarHBondContact NZ-OD1 3.36Å; K33-D62 IonicContact NZ-OD2 2.67Å; K33-D62 PolarHBondContact NZ-OD2 2.68Å; K33-Y205 WeakPolarHBondContact CG-OH 3.39Å; K33-L209 WeakPolarHBondContact O-CD2 3.44Å
34	K	89.3	Confident	89.7	Confident	154 Å²	154	31.3 Å²	31.3	67%	0.67	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-10.3	177.5	-55.8	172.5	-172.8	170.2	0	113.6	D30 L31 L32	D30-K34 VanDerWaalsContact O-CE 3.32Å; D30-K34 WeakPolarHBondContact O-CE 3.48Å; L31-K34 WeakPolarHBondContact O-CB 3.43Å; L31-K34 PolarHBondContact O-N 2.57Å; L32-K34 PolarHBondContact O-N 2.88Å
35	R	91	Very high	90.6	Very high	27 Å²	27	28.6 Å²	28.6	10%	0.102	14%	0.142	C	C	.	.			trans	-125	84.6	-169.9	-61.9	-75.2	-84.9	137.2	4	109.7	H25 L32 T37 H38 L39 E170	H25-R35 PolarHBondContact CD2-NE 2.66Å; H25-R35 PolarHBondContact NE2-NE 3.04Å; H25-R35 VanDerWaalsContact NE2-NE 3.15Å; L32-R35 PolarHBondContact O-N 3.1Å; R35-T37 VanDerWaalsContact C-N 3.32Å; R35-T37 PolarHBondContact O-N 2.85Å; R35-H38 HydrophobicContact CB-CB 3.81Å; R35-H38 VanDerWaalsContact CZ-CE1 3.42Å; R35-H38 PolarHBondContact NH2-CE1 3.12Å; R35-H38 PolarHBondContact NH2-NE2 3.06Å; R35-H38 PolarHBondContact O-N 2.89Å; R35-H38 VanDerWaalsContact O-N 3.13Å; R35-L39 PolarHBondContact O-N 3.02Å; R35-E170 WeakPolarHBondContact CA-OE1 3.3Å; R35-E170 WeakPolarHBondContact CB-OE1 3.46Å; R35-E170 IonicContact CZ-OE2 3.95Å; R35-E170 VanDerWaalsContact CZ-OE2 3.27Å; R35-E170 VanDerWaalsContact NH1-CD 3.28Å; R35-E170 IonicContact NH1-OE1 3.37Å; R35-E170 IonicContact NH1-OE2 2.74Å; R35-E170 PolarHBondContact NH1-OE2 3.2Å; R35-E170 IonicContact NH2-OE2 3.85Å
36	P	92.2	Very high	91.1	Very high	7 Å²	7	26 Å²	26	5%	0.045	13%	0.13	C	C	.	.	H	α-helix	trans	-59.5	-28.8	-170	10.5	-23.2	0	0	0	116.4	L40 E170 K171 A174 M206 L209 V211	P36-L40 WeakPolarHBondContact O-CB 3.45Å; P36-L40 PolarHBondContact O-N 3.31Å; P36-E170 HydrophobicContact CG-CG 3.85Å; P36-K171 HydrophobicContact CG-CG 4.14Å; P36-A174 HydrophobicContact CB-CB 3.96Å; P36-M206 HydrophobicContact CB-SD 4.25Å; P36-L209 HydrophobicContact CB-CB 4.27Å; P36-L209 HydrophobicContact CB-CD1 3.84Å; P36-L209 HydrophobicContact CG-CD1 4.48Å; P36-V211 HydrophobicContact CB-CG2 3.66Å; P36-V211 HydrophobicContact CG-CG2 4.14Å
37	T	92.7	Very high	91.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-69.4	-49.6	172.7	-57.8	0	0	0	0	110.2	R35 L39 L40 V41 Q151 V155 E170 V173 A174	R35-T37 VanDerWaalsContact C-N 3.32Å; R35-T37 PolarHBondContact O-N 2.85Å; T37-L39 VanDerWaalsContact C-N 3.31Å; T37-L39 PolarHBondContact O-N 3.09Å; T37-L40 PolarHBondContact O-N 3.08Å; T37-L40 VanDerWaalsContact O-N 3.08Å; T37-V41 PolarHBondContact O-N 3.32Å; T37-Q151 WeakPolarHBondContact CG2-O 3.47Å; T37-V155 HydrophobicContact CG2-CG2 4.47Å; T37-E170 WeakPolarHBondContact CA-OE1 3.49Å; T37-E170 VanDerWaalsContact CB-OE1 3.23Å; T37-E170 WeakPolarHBondContact CB-OE1 3.38Å; T37-E170 PolarHBondContact N-OE1 3.3Å; T37-E170 PolarHBondContact OG1-O 3Å; T37-V173 HydrophobicContact CG2-CB 4.36Å; T37-V173 HydrophobicContact CG2-CG1 3.72Å; T37-A174 PolarHBondContact OG1-N 3.08Å
38	H	93.1	Very high	91.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.9	-42.7	-176.8	-60.6	53.7	0	0	0	110.4	H25 F26 L32 R35 F42 E156 E170	H25-H38 AromaticContact CG-CD2 3.86Å; H25-H38 AromaticContact ND1-CD2 3.81Å; H25-H38 AromaticContact ND1-NE2 3.61Å; F26-H38 HydrophobicContact CE1-CB 4.32Å; F26-H38 HydrophobicContact CE2-CB 4.24Å; F26-H38 AromaticContact CE2-CD2 3.67Å; F26-H38 HydrophobicContact CZ-CB 3.77Å; L32-H38 HydrophobicContact CD2-CB 3.73Å; R35-H38 HydrophobicContact CB-CB 3.81Å; R35-H38 VanDerWaalsContact CZ-CE1 3.42Å; R35-H38 PolarHBondContact NH2-CE1 3.12Å; R35-H38 PolarHBondContact NH2-NE2 3.06Å; R35-H38 PolarHBondContact O-N 2.89Å; R35-H38 VanDerWaalsContact O-N 3.13Å; H38-F42 PolarHBondContact O-N 2.96Å; H38-F42 VanDerWaalsContact O-N 3.07Å; H38-E156 IonicContact NE2-OE1 2.64Å; H38-E170 IonicContact CE1-OE1 3.29Å; H38-E170 IonicContact CE1-OE2 2.72Å; H38-E170 PolarHBondContact CE1-OE2 3.01Å; H38-E170 VanDerWaalsContact CE1-OE2 3.28Å; H38-E170 IonicContact CG-OE1 3.93Å; H38-E170 PolarHBondContact N-OE1 2.99Å; H38-E170 IonicContact ND1-OE1 2.76Å; H38-E170 PolarHBondContact ND1-OE1 3.13Å; H38-E170 IonicContact ND1-OE2 3.55Å; H38-E170 PolarHBondContact ND1-OE2 2.82Å
39	L	94.1	Very high	90.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.6	-38.6	173.6	-177.4	65.4	0	0	0	112.9	I29 L32 R35 T37 F42 M43 L59 Y205 M206 L209	I29-L39 HydrophobicContact CD1-CD1 4.13Å; L32-L39 HydrophobicContact CB-CB 4.34Å; L32-L39 HydrophobicContact CB-CD1 4.02Å; L32-L39 WeakPolarHBondContact O-CB 3.34Å; R35-L39 PolarHBondContact O-N 3.02Å; T37-L39 VanDerWaalsContact C-N 3.31Å; T37-L39 PolarHBondContact O-N 3.09Å; L39-F42 HydrophobicContact CD1-CD1 4.35Å; L39-F42 PolarHBondContact O-N 3.11Å; L39-M43 HydrophobicContact CD1-CE 4.46Å; L39-M43 HydrophobicContact CD2-CE 4.03Å; L39-M43 HydrophobicContact CG-CE 4.04Å; L39-M43 WeakPolarHBondContact O-CB 3.34Å; L39-M43 VanDerWaalsContact O-CG 3.3Å; L39-M43 WeakPolarHBondContact O-CG 3.43Å; L39-M43 PolarHBondContact O-N 2.95Å; L39-L59 HydrophobicContact CD1-CD1 4.19Å; L39-Y205 HydrophobicContact CD2-CD1 3.91Å; L39-Y205 HydrophobicContact CD2-CE1 3.43Å; L39-Y205 VanDerWaalsContact CD2-CE1 3.43Å; L39-M206 HydrophobicContact CB-CE 4.28Å; L39-M206 HydrophobicContact CD2-CE 4Å; L39-M206 HydrophobicContact CG-CE 4.04Å; L39-L209 HydrophobicContact CD2-CD1 3.92Å
40	L	92.9	Very high	90.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-71.4	-35.6	-179.3	-175.2	55.6	0	0	0	112.1	P36 T37 M43 Q44 A174 L177 L178 M181 V202 M206	P36-L40 WeakPolarHBondContact O-CB 3.45Å; P36-L40 PolarHBondContact O-N 3.31Å; T37-L40 PolarHBondContact O-N 3.08Å; T37-L40 VanDerWaalsContact O-N 3.08Å; L40-M43 HydrophobicContact CD1-SD 4.41Å; L40-M43 PolarHBondContact O-N 2.95Å; L40-Q44 WeakPolarHBondContact O-CB 3.25Å; L40-Q44 PolarHBondContact O-N 3.24Å; L40-A174 WeakPolarHBondContact CD2-O 3.16Å; L40-L177 HydrophobicContact CB-CD2 4.03Å; L40-L177 HydrophobicContact CD2-CB 3.88Å; L40-L177 HydrophobicContact CD2-CD2 3.91Å; L40-L177 HydrophobicContact CD2-CG 3.79Å; L40-L177 HydrophobicContact CG-CD2 3.74Å; L40-L177 HydrophobicContact CG-CG 3.96Å; L40-L178 HydrophobicContact CD1-CD1 4.46Å; L40-L178 HydrophobicContact CD2-CB 3.86Å; L40-M181 HydrophobicContact CD1-CE 4.07Å; L40-M181 HydrophobicContact CD1-SD 4.2Å; L40-V202 HydrophobicContact CD1-CG1 3.86Å; L40-M206 HydrophobicContact CB-CE 3.67Å; L40-M206 HydrophobicContact CB-SD 4.29Å; L40-M206 HydrophobicContact CD1-CE 4.09Å; L40-M206 HydrophobicContact CD1-CG 4.48Å; L40-M206 HydrophobicContact CG-CE 4.37Å
41	V	92.3	Very high	90.9	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.012	13%	0.134	C	C	.	.	H	α-helix	trans	-63.9	-44.8	170.3	171.9	0	0	0	0	110.6	T37 M43 Q44 H45 F137 T146 L147 C148 V152 L177	T37-V41 PolarHBondContact O-N 3.32Å; V41-M43 PolarHBondContact O-N 2.96Å; V41-Q44 PolarHBondContact O-N 3.04Å; V41-H45 PolarHBondContact O-N 3.48Å; V41-F137 HydrophobicContact CG1-CE2 4.05Å; V41-F137 HydrophobicContact CG1-CZ 4.05Å; V41-T146 HydrophobicContact CG1-CG2 4.03Å; V41-L147 WeakPolarHBondContact CG1-O 3.1Å; V41-C148 HydrophobicContact CG2-CB 4.04Å; V41-V152 HydrophobicContact CB-CG2 4.2Å; V41-V152 HydrophobicContact CG1-CG2 4.05Å; V41-V152 HydrophobicContact CG2-CG2 3.86Å; V41-L177 HydrophobicContact CG2-CD2 3.52Å
42	F	93.7	Very high	91	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.4	-42.5	173.3	176.5	-124.1	0	0	0	112.9	F26 I29 L32 H38 L39 Q44 H45 V46 L55 Q133 L134 F137	F26-F42 HydrophobicContact CE1-CB 4.38Å; I29-F42 HydrophobicContact CD1-CD1 4.33Å; I29-F42 HydrophobicContact CD1-CE1 4Å; L32-F42 HydrophobicContact CD1-CB 4.09Å; L32-F42 HydrophobicContact CD1-CD1 3.69Å; L32-F42 HydrophobicContact CD1-CE1 4.35Å; L32-F42 HydrophobicContact CD1-CG 3.94Å; H38-F42 PolarHBondContact O-N 2.96Å; H38-F42 VanDerWaalsContact O-N 3.07Å; L39-F42 HydrophobicContact CD1-CD1 4.35Å; L39-F42 PolarHBondContact O-N 3.11Å; F42-Q44 PolarHBondContact O-N 3.45Å; F42-H45 WeakPolarHBondContact O-CB 3.42Å; F42-H45 PolarHBondContact O-N 3.34Å; F42-V46 HydrophobicContact CD2-CG2 4.13Å; F42-V46 HydrophobicContact CE1-CG2 4.45Å; F42-V46 HydrophobicContact CE2-CG2 3.61Å; F42-V46 HydrophobicContact CZ-CG2 3.8Å; F42-V46 WeakPolarHBondContact O-CG2 3.17Å; F42-V46 PolarHBondContact O-N 3.5Å; F42-L55 HydrophobicContact CD1-CD2 4.09Å; F42-L55 HydrophobicContact CE1-CD1 3.78Å; F42-L55 HydrophobicContact CE1-CD2 3.76Å; F42-L55 HydrophobicContact CE1-CG 4.45Å; F42-L55 HydrophobicContact CZ-CD2 4.37Å; F42-Q133 HydrophobicContact CE2-CB 4.39Å; F42-Q133 HydrophobicContact CZ-CB 4.08Å; F42-L134 HydrophobicContact CD2-CD1 4.19Å; F42-L134 HydrophobicContact CE1-CD1 4.4Å; F42-L134 HydrophobicContact CE2-CB 4.18Å; F42-L134 HydrophobicContact CE2-CD1 4.02Å; F42-L134 HydrophobicContact CG-CD1 4.48Å; F42-L134 HydrophobicContact CZ-CB 3.9Å; F42-L134 HydrophobicContact CZ-CD1 4.13Å; F42-F137 HydrophobicContact CD2-CB 3.72Å; F42-F137 HydrophobicContact CD2-CD1 4.45Å; F42-F137 AromaticContact CD2-CD2 3.86Å; F42-F137 HydrophobicContact CD2-CD2 3.86Å; F42-F137 AromaticContact CD2-CG 3.73Å; F42-F137 HydrophobicContact CD2-CG 3.73Å; F42-F137 HydrophobicContact CE2-CB 3.83Å; F42-F137 HydrophobicContact CE2-CG 4.36Å
43	M	92.7	Very high	91.2	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.015	12%	0.12	C	C	.	.	H	α-helix	trans	-59.8	-44	173.4	-77.7	178.1	174.6	0	0	111.9	L39 L40 V41 V46 I47 L55 L56 L59 V202 Y205 M206	L39-M43 HydrophobicContact CD1-CE 4.46Å; L39-M43 HydrophobicContact CD2-CE 4.03Å; L39-M43 HydrophobicContact CG-CE 4.04Å; L39-M43 WeakPolarHBondContact O-CB 3.34Å; L39-M43 VanDerWaalsContact O-CG 3.3Å; L39-M43 WeakPolarHBondContact O-CG 3.43Å; L39-M43 PolarHBondContact O-N 2.95Å; L40-M43 HydrophobicContact CD1-SD 4.41Å; L40-M43 PolarHBondContact O-N 2.95Å; V41-M43 PolarHBondContact O-N 2.96Å; M43-V46 PolarHBondContact O-N 3.33Å; M43-I47 WeakPolarHBondContact O-CB 3.33Å; M43-I47 WeakPolarHBondContact O-CD1 3.31Å; M43-I47 WeakPolarHBondContact O-CG1 3.44Å; M43-I47 PolarHBondContact O-N 3.07Å; M43-L55 HydrophobicContact CG-CD2 4.18Å; M43-L56 HydrophobicContact CE-CD2 4.46Å; M43-L59 HydrophobicContact CE-CD1 3.33Å; M43-V202 HydrophobicContact SD-CB 4.37Å; M43-V202 HydrophobicContact SD-CG1 3.69Å; M43-V202 HydrophobicContact SD-CG2 4.04Å; M43-Y205 HydrophobicContact CE-CD1 3.87Å; M43-Y205 HydrophobicContact CE-CG 4.25Å; M43-M206 HydrophobicContact CE-CE 3.97Å; M43-M206 HydrophobicContact SD-CE 3.57Å; M43-M206 VanDerWaalsContact SD-CE 3.57Å
44	Q	90.1	Very high	91.4	Very high	29 Å²	29	25.2 Å²	25.2	14%	0.136	12%	0.121	C	C	.	.	H	α-helix	trans	-63.1	-42.7	179.4	-176.4	174.9	-45.3	0	0	111.2	L40 V41 F42 I47 L48 M181	L40-Q44 WeakPolarHBondContact O-CB 3.25Å; L40-Q44 PolarHBondContact O-N 3.24Å; V41-Q44 PolarHBondContact O-N 3.04Å; F42-Q44 PolarHBondContact O-N 3.45Å; Q44-I47 PolarHBondContact O-N 3.16Å; Q44-L48 HydrophobicContact CG-CD1 4.07Å; Q44-L48 WeakPolarHBondContact O-CB 3.48Å; Q44-L48 WeakPolarHBondContact O-CD1 3.5Å; Q44-L48 WeakPolarHBondContact O-CG 3.46Å; Q44-L48 PolarHBondContact O-N 3.24Å; Q44-M181 HydrophobicContact CB-SD 4.19Å; Q44-M181 HydrophobicContact CG-SD 4.38Å
45	H	90.6	Very high	91.7	Very high	16 Å²	16	18 Å²	18	7%	0.074	9%	0.089	C	C	.	.	H	α-helix	trans	-57.3	-50.1	170.9	174.2	95.3	0	0	0	112	V41 F42 I47 L48 Q49 D136 F137	V41-H45 PolarHBondContact O-N 3.48Å; F42-H45 WeakPolarHBondContact O-CB 3.42Å; F42-H45 PolarHBondContact O-N 3.34Å; H45-I47 VanDerWaalsContact C-N 3.33Å; H45-I47 PolarHBondContact O-N 3.35Å; H45-L48 CarbonylContact O-C 3.57Å; H45-L48 PolarHBondContact O-N 3.01Å; H45-Q49 VanDerWaalsContact O-CB 3.28Å; H45-Q49 WeakPolarHBondContact O-CB 3.31Å; H45-Q49 VanDerWaalsContact O-CG 3.27Å; H45-Q49 WeakPolarHBondContact O-CG 3.31Å; H45-Q49 PolarHBondContact O-N 2.84Å; H45-D136 IonicContact CD2-OD2 3.28Å; H45-D136 IonicContact CE1-OD2 3.73Å; H45-D136 PolarHBondContact CE1-OD2 3.38Å; H45-D136 IonicContact NE2-OD2 3.32Å; H45-D136 PolarHBondContact NE2-OD2 2.81Å; H45-F137 HydrophobicContact CB-CD2 3.69Å; H45-F137 HydrophobicContact CB-CE2 4.04Å; H45-F137 AromaticContact CD2-CD2 3.81Å; H45-F137 AromaticContact CG-CD2 3.59Å; H45-F137 AromaticContact ND1-CD2 3.92Å
46	V	92.1	Very high	91.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.1	-38.7	180	167.3	0	0	0	0	112.2	F42 M43 L48 Q49 F50 P52 L55 Q133	F42-V46 HydrophobicContact CD2-CG2 4.13Å; F42-V46 HydrophobicContact CE1-CG2 4.45Å; F42-V46 HydrophobicContact CE2-CG2 3.61Å; F42-V46 HydrophobicContact CZ-CG2 3.8Å; F42-V46 WeakPolarHBondContact O-CG2 3.17Å; F42-V46 PolarHBondContact O-N 3.5Å; M43-V46 PolarHBondContact O-N 3.33Å; V46-L48 PolarHBondContact O-N 3.43Å; V46-Q49 PolarHBondContact O-N 3.3Å; V46-F50 HydrophobicContact CG1-CB 4.24Å; V46-F50 HydrophobicContact CG2-CD2 4.44Å; V46-F50 CarbonylContact O-C 3.52Å; V46-F50 PolarHBondContact O-N 3.04Å; V46-F50 VanDerWaalsContact O-O 3.07Å; V46-P52 HydrophobicContact CG1-CB 4.22Å; V46-L55 HydrophobicContact CB-CD2 3.95Å; V46-L55 HydrophobicContact CG1-CB 4.22Å; V46-L55 HydrophobicContact CG1-CD2 3.89Å; V46-L55 HydrophobicContact CG2-CD2 3.98Å; V46-Q133 HydrophobicContact CG2-CB 3.99Å; V46-Q133 HydrophobicContact CG2-CG 4.42Å
47	I	89.9	Confident	92.1	Very high	17 Å²	17	16.5 Å²	16.5	9%	0.087	8%	0.083	C	C	.	.	H	α-helix	trans	-63.8	-26.3	174.3	-70.4	163.9	0	0	0	112.5	M43 Q44 H45 P52 M181 V198 V202	M43-I47 WeakPolarHBondContact O-CB 3.33Å; M43-I47 WeakPolarHBondContact O-CD1 3.31Å; M43-I47 WeakPolarHBondContact O-CG1 3.44Å; M43-I47 PolarHBondContact O-N 3.07Å; Q44-I47 PolarHBondContact O-N 3.16Å; H45-I47 VanDerWaalsContact C-N 3.33Å; H45-I47 PolarHBondContact O-N 3.35Å; I47-P52 HydrophobicContact CG1-CB 3.85Å; I47-P52 HydrophobicContact CG1-CG 4.25Å; I47-M181 HydrophobicContact CD1-CE 4.46Å; I47-M181 HydrophobicContact CD1-SD 4.34Å; I47-V198 HydrophobicContact CD1-CG1 3.72Å; I47-V198 HydrophobicContact CG1-CG1 3.83Å; I47-V202 HydrophobicContact CD1-CG2 4.02Å
48	L	85.9	Confident	92.3	Very high	58 Å²	58	17.2 Å²	17.2	30%	0.304	9%	0.086	S	C	.	.	H	α-helix	trans	-96.4	-13.8	-178.2	-69.3	170.4	0	0	0	114.4	Q44 H45 V46 L147 F188	Q44-L48 HydrophobicContact CG-CD1 4.07Å; Q44-L48 WeakPolarHBondContact O-CB 3.48Å; Q44-L48 WeakPolarHBondContact O-CD1 3.5Å; Q44-L48 WeakPolarHBondContact O-CG 3.46Å; Q44-L48 PolarHBondContact O-N 3.24Å; H45-L48 CarbonylContact O-C 3.57Å; H45-L48 PolarHBondContact O-N 3.01Å; V46-L48 PolarHBondContact O-N 3.43Å; L48-L147 HydrophobicContact CD1-CD1 3.47Å; L48-L147 VanDerWaalsContact CD1-CD1 3.47Å; L48-F188 HydrophobicContact CD2-CB 4.45Å; L48-F188 HydrophobicContact CD2-CD1 3.31Å; L48-F188 HydrophobicContact CD2-CE1 3.69Å; L48-F188 HydrophobicContact CD2-CG 4.02Å
49	Q	83.5	Confident	92.4	Very high	89 Å²	89	17.2 Å²	17.2	42%	0.416	9%	0.086	S	C	.	.	H	α-helix	trans	-130.4	-17.4	-166.7	-62.9	-71.4	-77.9	0	0	114	H45 V46	H45-Q49 VanDerWaalsContact O-CB 3.28Å; H45-Q49 WeakPolarHBondContact O-CB 3.31Å; H45-Q49 VanDerWaalsContact O-CG 3.27Å; H45-Q49 WeakPolarHBondContact O-CG 3.31Å; H45-Q49 PolarHBondContact O-N 2.84Å; V46-Q49 PolarHBondContact O-N 3.3Å
50	F	90.1	Very high	92.4	Very high	35 Å²	35	18.1 Å²	18.1	15%	0.154	9%	0.09	C	C	.	.	S	Bend	trans	-143.2	177.4	-173.5	-65.4	-86	0	0	0	110.9	V46 P52 Q133 D136	V46-F50 HydrophobicContact CG1-CB 4.24Å; V46-F50 HydrophobicContact CG2-CD2 4.44Å; V46-F50 CarbonylContact O-C 3.52Å; V46-F50 PolarHBondContact O-N 3.04Å; V46-F50 VanDerWaalsContact O-O 3.07Å; F50-P52 WeakPolarHBondContact O-CD 3.38Å; F50-Q133 HydrophobicContact CB-CG 4.3Å; F50-Q133 HydrophobicContact CD1-CG 3.86Å; F50-Q133 HydrophobicContact CD2-CG 3.99Å; F50-Q133 HydrophobicContact CE1-CG 4.13Å; F50-Q133 HydrophobicContact CE2-CG 4.26Å; F50-Q133 HydrophobicContact CG-CG 3.79Å; F50-Q133 HydrophobicContact CZ-CG 4.34Å; F50-D136 HydrophobicContact CE2-CB 4.02Å; F50-D136 WeakPolarHBondContact CE2-OD2 3.38Å; F50-D136 HydrophobicContact CZ-CB 3.66Å; F50-D136 VanDerWaalsContact CZ-CG 3.49Å
51	D	90.4	Very high	92.4	Very high	66 Å²	66	18.1 Å²	18.1	35%	0.353	9%	0.09	S	C	.	.			trans	-77.2	125.2	160.4	-174.7	56.7	0	0	0	109.3	A53 P54 Q133 K194	D51-A53 VanDerWaalsContact C-N 3.33Å; D51-A53 PolarHBondContact O-N 3.49Å; D51-A53 VanDerWaalsContact OD2-CB 3.29Å; D51-A53 WeakPolarHBondContact OD2-CB 3.29Å; D51-A53 PolarHBondContact OD2-N 3.08Å; D51-P54 WeakPolarHBondContact O-CD 3.35Å; D51-P54 WeakPolarHBondContact OD2-CD 3.34Å; D51-Q133 PolarHBondContact O-NE2 3.13Å; D51-K194 IonicContact OD1-NZ 4Å; D51-K194 PolarHBondContact OD1-NZ 3.17Å
52	P	92.8	Very high	92.4	Very high	9 Å²	9	18.6 Å²	18.6	6%	0.058	9%	0.093	C	C	.	.	S	Bend	trans	-81.7	-7	-176.6	32.1	-37	0	0	0	114.1	V46 I47 F50 L55 L56 V198	V46-P52 HydrophobicContact CG1-CB 4.22Å; I47-P52 HydrophobicContact CG1-CB 3.85Å; I47-P52 HydrophobicContact CG1-CG 4.25Å; F50-P52 WeakPolarHBondContact O-CD 3.38Å; P52-L55 PolarHBondContact O-N 2.89Å; P52-L56 HydrophobicContact CB-CD1 3.99Å; P52-L56 HydrophobicContact CB-CG 4.49Å; P52-L56 HydrophobicContact CG-CD1 4.49Å; P52-L56 WeakPolarHBondContact O-CB 3.47Å; P52-L56 VanDerWaalsContact O-CG 3.26Å; P52-L56 WeakPolarHBondContact O-CG 3.32Å; P52-L56 PolarHBondContact O-N 2.89Å; P52-V198 HydrophobicContact CG-CG1 4.17Å; P52-V198 HydrophobicContact CG-CG2 3.65Å
53	A	94.3	Very high	92.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.2	-43.3	-176.5	0	0	0	0	0	113.7	D51 L55 L56 C57 L90 V92	D51-A53 VanDerWaalsContact C-N 3.33Å; D51-A53 PolarHBondContact O-N 3.49Å; D51-A53 VanDerWaalsContact OD2-CB 3.29Å; D51-A53 WeakPolarHBondContact OD2-CB 3.29Å; D51-A53 PolarHBondContact OD2-N 3.08Å; A53-L55 PolarHBondContact O-N 3.49Å; A53-L56 PolarHBondContact O-N 3.27Å; A53-C57 WeakPolarHBondContact O-CB 3.35Å; A53-C57 PolarHBondContact O-N 2.9Å; A53-L90 HydrophobicContact CB-CB 3.99Å; A53-L90 WeakPolarHBondContact CB-O 3.37Å; A53-V92 VanDerWaalsContact C-CG1 3.47Å; A53-V92 HydrophobicContact CB-CG1 3.86Å; A53-V92 WeakPolarHBondContact O-CG1 3.49Å
54	P	95.8	Very high	92.2	Very high	17 Å²	17	19.4 Å²	19.4	11%	0.11	10%	0.097	C	C	.	.	H	α-helix	trans	-50	-52.7	170.5	-33.2	38.6	0	0	0	114.3	D51 C57 Y58 E129	D51-P54 WeakPolarHBondContact O-CD 3.35Å; D51-P54 WeakPolarHBondContact OD2-CD 3.34Å; P54-C57 PolarHBondContact O-N 3.45Å; P54-Y58 WeakPolarHBondContact O-CB 3.2Å; P54-Y58 PolarHBondContact O-N 3.37Å; P54-E129 HydrophobicContact CB-CB 4.34Å; P54-E129 HydrophobicContact CB-CG 3.95Å; P54-E129 HydrophobicContact CG-CG 4.12Å
55	L	96.1	Very high	92	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-64.8	-47.2	-179.8	177.2	62.2	0	0	0	111.8	I29 F42 M43 V46 P52 A53 C57 Y58 L59 V130	I29-L55 HydrophobicContact CD1-CD1 4.11Å; F42-L55 HydrophobicContact CD1-CD2 4.09Å; F42-L55 HydrophobicContact CE1-CD1 3.78Å; F42-L55 HydrophobicContact CE1-CD2 3.76Å; F42-L55 HydrophobicContact CE1-CG 4.45Å; F42-L55 HydrophobicContact CZ-CD2 4.37Å; M43-L55 HydrophobicContact CG-CD2 4.18Å; V46-L55 HydrophobicContact CB-CD2 3.95Å; V46-L55 HydrophobicContact CG1-CB 4.22Å; V46-L55 HydrophobicContact CG1-CD2 3.89Å; V46-L55 HydrophobicContact CG2-CD2 3.98Å; P52-L55 PolarHBondContact O-N 2.89Å; A53-L55 PolarHBondContact O-N 3.49Å; L55-C57 VanDerWaalsContact C-N 3.33Å; L55-C57 PolarHBondContact O-N 2.73Å; L55-Y58 PolarHBondContact O-N 3.31Å; L55-L59 HydrophobicContact CD1-CD1 3.78Å; L55-L59 HydrophobicContact CD1-CG 4.08Å; L55-L59 HydrophobicContact CG-CD1 3.91Å; L55-L59 WeakPolarHBondContact O-CB 3.38Å; L55-L59 VanDerWaalsContact O-CG 3.27Å; L55-L59 WeakPolarHBondContact O-CG 3.45Å; L55-L59 PolarHBondContact O-N 3.03Å; L55-V130 HydrophobicContact CB-CG2 4.44Å; L55-V130 HydrophobicContact CD1-CG1 3.97Å; L55-V130 HydrophobicContact CD1-CG2 4.22Å
56	L	95.4	Very high	91.7	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.016	13%	0.131	C	C	.	.	H	α-helix	trans	-65	-38.3	-179.3	-68.1	170.2	0	0	0	111.5	M43 P52 A53 H60 F83 L90 V198 A201 V202	M43-L56 HydrophobicContact CE-CD2 4.46Å; P52-L56 HydrophobicContact CB-CD1 3.99Å; P52-L56 HydrophobicContact CB-CG 4.49Å; P52-L56 HydrophobicContact CG-CD1 4.49Å; P52-L56 WeakPolarHBondContact O-CB 3.47Å; P52-L56 VanDerWaalsContact O-CG 3.26Å; P52-L56 WeakPolarHBondContact O-CG 3.32Å; P52-L56 PolarHBondContact O-N 2.89Å; A53-L56 PolarHBondContact O-N 3.27Å; L56-H60 WeakPolarHBondContact O-CB 3.32Å; L56-H60 PolarHBondContact O-CD2 2.8Å; L56-H60 PolarHBondContact O-N 3.43Å; L56-F83 HydrophobicContact CB-CE1 3.67Å; L56-F83 HydrophobicContact CB-CZ 3.9Å; L56-L90 HydrophobicContact CD1-CD1 4.12Å; L56-V198 HydrophobicContact CD1-CG1 4.21Å; L56-A201 HydrophobicContact CB-CB 4.49Å; L56-A201 HydrophobicContact CD1-CB 4.07Å; L56-A201 HydrophobicContact CD2-CB 4.27Å; L56-V202 HydrophobicContact CD2-CG2 3.72Å
57	C	95.9	Very high	91.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.8	-45.8	173.5	-174.7	0	0	0	0	111.8	A53 P54 L55 L59 H60 A61 F83 V92	A53-C57 WeakPolarHBondContact O-CB 3.35Å; A53-C57 PolarHBondContact O-N 2.9Å; P54-C57 PolarHBondContact O-N 3.45Å; L55-C57 VanDerWaalsContact C-N 3.33Å; L55-C57 PolarHBondContact O-N 2.73Å; C57-L59 VanDerWaalsContact C-N 3.27Å; C57-L59 PolarHBondContact O-N 3.14Å; C57-H60 PolarHBondContact O-N 3.31Å; C57-A61 WeakPolarHBondContact O-CB 3.41Å; C57-A61 PolarHBondContact O-N 3.28Å; C57-F83 HydrophobicContact CB-CB 4.19Å; C57-F83 HydrophobicContact CB-CD1 3.64Å; C57-F83 HydrophobicContact CB-CE1 4.16Å; C57-F83 HydrophobicContact CB-CG 3.93Å; C57-V92 HydrophobicContact CB-CB 4.48Å; C57-V92 HydrophobicContact CB-CG1 3.64Å; C57-V92 HydrophobicContact CB-CG2 4.1Å; C57-V92 VanDerWaalsContact SG-CG2 3.59Å
58	Y	96.2	Very high	91.3	Very high	15 Å²	15	31.4 Å²	31.4	6%	0.059	16%	0.159	C	C	.	.	H	α-helix	trans	-57.1	-41.6	177.9	176.3	-82.4	0	0	0	112	I29 P54 L55 D62 Q123 V130	I29-Y58 HydrophobicContact CB-CE1 4.49Å; I29-Y58 HydrophobicContact CG1-CD1 4.29Å; I29-Y58 HydrophobicContact CG1-CE1 3.78Å; I29-Y58 HydrophobicContact CG2-CE1 3.86Å; I29-Y58 WeakPolarHBondContact CG2-OH 3.29Å; P54-Y58 WeakPolarHBondContact O-CB 3.2Å; P54-Y58 PolarHBondContact O-N 3.37Å; L55-Y58 PolarHBondContact O-N 3.31Å; Y58-D62 PolarHBondContact O-N 3.24Å; Y58-Q123 HydrophobicContact CD2-CG 3.53Å; Y58-Q123 WeakPolarHBondContact CD2-O 3.48Å; Y58-Q123 HydrophobicContact CE2-CG 3.5Å; Y58-Q123 VanDerWaalsContact CE2-CG 3.5Å; Y58-Q123 HydrophobicContact CG-CG 4.11Å; Y58-Q123 PolarHBondContact O-NE2 3.46Å; Y58-Q123 VanDerWaalsContact O-NE2 3.08Å; Y58-V130 HydrophobicContact CD1-CG1 4.49Å; Y58-V130 HydrophobicContact CD2-CG2 4.24Å; Y58-V130 HydrophobicContact CG-CG2 3.97Å
59	L	95.3	Very high	91.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-74.7	-45.6	-179.9	-69.6	174.5	0	0	0	112.3	I29 K33 L39 M43 L55 C57 A61 D62 I63 Y205	I29-L59 HydrophobicContact CD1-CD2 4.3Å; I29-L59 HydrophobicContact CG1-CD2 4.38Å; K33-L59 HydrophobicContact CD-CD2 3.88Å; K33-L59 HydrophobicContact CG-CD2 3.7Å; L39-L59 HydrophobicContact CD1-CD1 4.19Å; M43-L59 HydrophobicContact CE-CD1 3.33Å; L55-L59 HydrophobicContact CD1-CD1 3.78Å; L55-L59 HydrophobicContact CD1-CG 4.08Å; L55-L59 HydrophobicContact CG-CD1 3.91Å; L55-L59 WeakPolarHBondContact O-CB 3.38Å; L55-L59 VanDerWaalsContact O-CG 3.27Å; L55-L59 WeakPolarHBondContact O-CG 3.45Å; L55-L59 PolarHBondContact O-N 3.03Å; C57-L59 VanDerWaalsContact C-N 3.27Å; C57-L59 PolarHBondContact O-N 3.14Å; L59-A61 VanDerWaalsContact C-N 3.29Å; L59-A61 PolarHBondContact O-N 3.08Å; L59-D62 WeakPolarHBondContact O-CB 3.15Å; L59-D62 PolarHBondContact O-N 3.42Å; L59-D62 VanDerWaalsContact O-N 3.08Å; L59-I63 PolarHBondContact O-N 3.26Å; L59-Y205 HydrophobicContact CB-CD2 3.74Å; L59-Y205 HydrophobicContact CB-CE2 3.63Å; L59-Y205 HydrophobicContact CB-CG 4.37Å; L59-Y205 HydrophobicContact CD2-CE1 4.46Å; L59-Y205 HydrophobicContact CD2-CE2 4.33Å; L59-Y205 HydrophobicContact CG-CE2 4.49Å; L59-Y205 VanDerWaalsContact O-CE2 3.31Å; L59-Y205 WeakPolarHBondContact O-CE2 3.05Å
60	H	94.1	Very high	91.2	Very high	19 Å²	19	35.6 Å²	35.6	9%	0.088	18%	0.177	C	C	.	.	H	α-helix	trans	-64.6	-33.6	175.7	-82	-118	0	0	0	112.4	L56 C57 D62 I63 V64 F79 F83 A201	L56-H60 WeakPolarHBondContact O-CB 3.32Å; L56-H60 PolarHBondContact O-CD2 2.8Å; L56-H60 PolarHBondContact O-N 3.43Å; C57-H60 PolarHBondContact O-N 3.31Å; H60-D62 VanDerWaalsContact C-N 3.29Å; H60-D62 PolarHBondContact O-N 3.08Å; H60-I63 WeakPolarHBondContact O-CB 3.46Å; H60-I63 PolarHBondContact O-N 2.66Å; H60-V64 WeakPolarHBondContact O-CG2 3.28Å; H60-V64 PolarHBondContact O-N 2.64Å; H60-V64 VanDerWaalsContact O-N 3.14Å; H60-F79 HydrophobicContact CB-CD2 3.78Å; H60-F79 HydrophobicContact CB-CE2 4.09Å; H60-F83 HydrophobicContact CB-CD2 4.49Å; H60-F83 HydrophobicContact CB-CE2 3.78Å; H60-F83 HydrophobicContact CB-CZ 4.33Å; H60-F83 AromaticContact CG-CE2 3.69Å; H60-F83 AromaticContact ND1-CE2 3.86Å; H60-A201 PolarHBondContact NE2-O 3.31Å
61	A	93.6	Very high	91	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62	-35.6	171.5	0	0	0	0	0	112.5	C57 L59 V64 K65 F79 A119 Q123	C57-A61 WeakPolarHBondContact O-CB 3.41Å; C57-A61 PolarHBondContact O-N 3.28Å; L59-A61 VanDerWaalsContact C-N 3.29Å; L59-A61 PolarHBondContact O-N 3.08Å; A61-V64 PolarHBondContact O-N 2.64Å; A61-K65 WeakPolarHBondContact O-CB 3.41Å; A61-K65 PolarHBondContact O-N 2.86Å; A61-F79 HydrophobicContact CB-CE2 4.02Å; A61-F79 HydrophobicContact CB-CZ 3.73Å; A61-A119 HydrophobicContact CB-CB 4.39Å; A61-Q123 HydrophobicContact CB-CB 3.85Å; A61-Q123 HydrophobicContact CB-CG 4.46Å
62	D	92.6	Very high	90.8	Very high	13 Å²	13	32.9 Å²	32.9	7%	0.07	16%	0.164	C	C	.	.	H	α-helix	trans	-64.2	-39.8	176.1	-145.8	55.1	0	0	0	111.6	K33 Y58 L59 H60 K65 N66 Q123	K33-D62 HydrophobicContact CD-CB 4.47Å; K33-D62 WeakPolarHBondContact CD-OD2 3.46Å; K33-D62 IonicContact NZ-OD1 2.65Å; K33-D62 PolarHBondContact NZ-OD1 3.36Å; K33-D62 IonicContact NZ-OD2 2.67Å; K33-D62 PolarHBondContact NZ-OD2 2.68Å; Y58-D62 PolarHBondContact O-N 3.24Å; L59-D62 WeakPolarHBondContact O-CB 3.15Å; L59-D62 PolarHBondContact O-N 3.42Å; L59-D62 VanDerWaalsContact O-N 3.08Å; H60-D62 VanDerWaalsContact C-N 3.29Å; H60-D62 PolarHBondContact O-N 3.08Å; D62-K65 IonicContact OD1-NZ 2.77Å; D62-K65 PolarHBondContact OD1-NZ 3.07Å; D62-N66 VanDerWaalsContact O-CB 3.32Å; D62-N66 WeakPolarHBondContact O-CB 3.27Å; D62-N66 PolarHBondContact O-N 3.29Å; D62-N66 VanDerWaalsContact O-N 3.08Å; D62-N66 PolarHBondContact O-ND2 2.76Å; D62-N66 PolarHBondContact OD2-ND2 3.04Å; D62-Q123 VanDerWaalsContact CB-NE2 3.25Å; D62-Q123 PolarHBondContact OD1-NE2 3.08Å
63	I	91	Very high	90.5	Very high	15 Å²	15	37.2 Å²	37.2	8%	0.077	18%	0.182	C	C	.	.	H	α-helix	trans	-58.6	-54.3	172.2	-58.7	-178.4	0	0	0	109.9	L59 H60 K65 N66 L67 Y205 H208	L59-I63 PolarHBondContact O-N 3.26Å; H60-I63 WeakPolarHBondContact O-CB 3.46Å; H60-I63 PolarHBondContact O-N 2.66Å; I63-K65 VanDerWaalsContact C-N 3.3Å; I63-K65 PolarHBondContact O-N 3.42Å; I63-N66 PolarHBondContact O-N 3.38Å; I63-N66 VanDerWaalsContact O-N 3.11Å; I63-L67 HydrophobicContact CG2-CD1 3.84Å; I63-L67 HydrophobicContact CG2-CG 4.19Å; I63-L67 VanDerWaalsContact O-CG 3.31Å; I63-L67 WeakPolarHBondContact O-CG 3.49Å; I63-L67 PolarHBondContact O-N 2.85Å; I63-L67 VanDerWaalsContact O-N 3.09Å; I63-Y205 HydrophobicContact CD1-CD2 3.5Å; I63-Y205 HydrophobicContact CD1-CE2 3.79Å; I63-Y205 HydrophobicContact CD1-CG 4.44Å; I63-Y205 HydrophobicContact CG1-CD2 3.99Å; I63-Y205 HydrophobicContact CG1-CE2 3.74Å; I63-H208 HydrophobicContact CD1-CB 3.71Å; I63-H208 HydrophobicContact CG1-CB 4.49Å
64	V	90.1	Very high	90.1	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.024	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-36.9	-173.5	174.9	0	0	0	0	112.4	H60 A61 T72 Q75 F76 F79 A119	H60-V64 WeakPolarHBondContact O-CG2 3.28Å; H60-V64 PolarHBondContact O-N 2.64Å; H60-V64 VanDerWaalsContact O-N 3.14Å; A61-V64 PolarHBondContact O-N 2.64Å; V64-T72 HydrophobicContact CG1-CG2 4.09Å; V64-T72 PolarHBondContact O-OG1 3.4Å; V64-Q75 HydrophobicContact CG2-CB 4.25Å; V64-F76 HydrophobicContact CG1-CB 4.11Å; V64-F76 HydrophobicContact CG1-CD2 3.88Å; V64-F79 HydrophobicContact CG2-CB 3.97Å; V64-F79 HydrophobicContact CG2-CD1 4.46Å; V64-F79 HydrophobicContact CG2-CG 4.17Å; V64-A119 HydrophobicContact CB-CB 4.2Å; V64-A119 HydrophobicContact CG1-CB 3.94Å
65	K	86.4	Confident	89.7	Confident	79 Å²	79	45.2 Å²	45.2	34%	0.343	22%	0.216	S	C	.	.	H	α-helix	trans	-63.6	-40.9	173.2	171.8	-173.2	168.1	-162.1	0	113	A61 D62 I63	A61-K65 WeakPolarHBondContact O-CB 3.41Å; A61-K65 PolarHBondContact O-N 2.86Å; D62-K65 IonicContact OD1-NZ 2.77Å; D62-K65 PolarHBondContact OD1-NZ 3.07Å; I63-K65 VanDerWaalsContact C-N 3.3Å; I63-K65 PolarHBondContact O-N 3.42Å
66	N	84.6	Confident	89.4	Confident	107 Å²	107	45.1 Å²	45.1	57%	0.572	22%	0.215	S	C	*	.	H	α-helix	trans	-89.3	-3.6	-175.3	-63.8	-25.4	0	0	0	113.9	D62 I63	D62-N66 VanDerWaalsContact O-CB 3.32Å; D62-N66 WeakPolarHBondContact O-CB 3.27Å; D62-N66 PolarHBondContact O-N 3.29Å; D62-N66 VanDerWaalsContact O-N 3.08Å; D62-N66 PolarHBondContact O-ND2 2.76Å; D62-N66 PolarHBondContact OD2-ND2 3.04Å; I63-N66 PolarHBondContact O-N 3.38Å; I63-N66 VanDerWaalsContact O-N 3.11Å
67	L	87	Confident	89.1	Confident	41 Å²	41	46.3 Å²	46.3	22%	0.215	22%	0.223	C	C	.	.	S	Bend	trans	-82.1	152.8	176.8	-78.6	171.6	0	0	0	113.6	I63 D71 T72 Q75 R116	I63-L67 HydrophobicContact CG2-CD1 3.84Å; I63-L67 HydrophobicContact CG2-CG 4.19Å; I63-L67 VanDerWaalsContact O-CG 3.31Å; I63-L67 WeakPolarHBondContact O-CG 3.49Å; I63-L67 PolarHBondContact O-N 2.85Å; I63-L67 VanDerWaalsContact O-N 3.09Å; L67-D71 HydrophobicContact CB-CB 4.47Å; L67-D71 HydrophobicContact CD1-CB 4.4Å; L67-D71 HydrophobicContact CD2-CB 4.03Å; L67-T72 PolarHBondContact O-OG1 3.26Å; L67-T72 VanDerWaalsContact O-OG1 3.07Å; L67-Q75 HydrophobicContact CD1-CB 3.91Å; L67-Q75 HydrophobicContact CD1-CG 3.69Å; L67-R116 PolarHBondContact O-NH1 3.45Å
68	N	86.9	Confident	88.8	Confident	87 Å²	87	51.6 Å²	51.6	47%	0.465	25%	0.248	S	C	.	.			trans	-71.9	159.4	173.2	74.4	74.3	0	0	0	112.1	R70 D71 T72	N68-R70 PolarHBondContact O-N 2.88Å; N68-R70 VanDerWaalsContact OD1-CB 3.3Å; N68-R70 WeakPolarHBondContact OD1-CB 3.38Å; N68-R70 PolarHBondContact OD1-N 3.43Å; N68-D71 PolarHBondContact ND2-OD2 3.11Å; N68-D71 PolarHBondContact O-N 3.35Å; N68-D71 PolarHBondContact OD1-N 3.05Å; N68-T72 PolarHBondContact O-N 3.06Å; N68-T72 PolarHBondContact O-OG1 3.06Å
69	A	83.3	Confident	88.6	Confident	46 Å²	46	51 Å²	51	38%	0.38	25%	0.246	S	C	.	.	H	α-helix	trans	-40.9	-40	178.4	0	0	0	0	0	116.5	D112	A69-D112 VanDerWaalsContact CA-OD2 3.31Å; A69-D112 WeakPolarHBondContact CA-OD2 3.33Å; A69-D112 WeakPolarHBondContact CB-OD2 3.45Å
70	R	84	Confident	88.4	Confident	190 Å²	190	52.3 Å²	52.3	72%	0.717	25%	0.251	S	S	*	.	H	α-helix	trans	-77.3	-29.4	-177.1	-175.1	-175	-67	170.6	-0.4	112.6	N68 K74	N68-R70 PolarHBondContact O-N 2.88Å; N68-R70 VanDerWaalsContact OD1-CB 3.3Å; N68-R70 WeakPolarHBondContact OD1-CB 3.38Å; N68-R70 PolarHBondContact OD1-N 3.43Å; R70-K74 WeakPolarHBondContact O-CE 3.43Å
71	D	85.6	Confident	88.3	Confident	44 Å²	44	54.2 Å²	54.2	24%	0.235	26%	0.262	C	S	.	.	H	α-helix	trans	-101.3	-31	-173.9	-63	-44.2	0	0	0	112.2	L67 N68 K73 K74 Q75	L67-D71 HydrophobicContact CB-CB 4.47Å; L67-D71 HydrophobicContact CD1-CB 4.4Å; L67-D71 HydrophobicContact CD2-CB 4.03Å; N68-D71 PolarHBondContact ND2-OD2 3.11Å; N68-D71 PolarHBondContact O-N 3.35Å; N68-D71 PolarHBondContact OD1-N 3.05Å; D71-K73 VanDerWaalsContact C-N 3.26Å; D71-K73 PolarHBondContact O-N 3.12Å; D71-K74 WeakPolarHBondContact O-CB 3.31Å; D71-K74 PolarHBondContact O-N 3.11Å; D71-K74 WeakPolarHBondContact OD1-CE 3.42Å; D71-K74 IonicContact OD1-NZ 2.65Å; D71-K74 PolarHBondContact OD1-NZ 3.34Å; D71-Q75 PolarHBondContact O-N 2.86Å
72	T	86.7	Confident	88.2	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-51.3	-47.5	163.8	-57.5	0	0	0	0	110.4	V64 L67 N68 K74 Q75 F76 D112 Q115 R116	V64-T72 HydrophobicContact CG1-CG2 4.09Å; V64-T72 PolarHBondContact O-OG1 3.4Å; L67-T72 PolarHBondContact O-OG1 3.26Å; L67-T72 VanDerWaalsContact O-OG1 3.07Å; N68-T72 PolarHBondContact O-N 3.06Å; N68-T72 PolarHBondContact O-OG1 3.06Å; T72-K74 PolarHBondContact O-N 3.15Å; T72-K74 VanDerWaalsContact O-N 3.08Å; T72-Q75 PolarHBondContact O-N 3.4Å; T72-Q75 VanDerWaalsContact O-N 3.12Å; T72-F76 WeakPolarHBondContact O-CB 3.42Å; T72-F76 PolarHBondContact O-N 3.17Å; T72-D112 HydrophobicContact CG2-CB 4.45Å; T72-Q115 HydrophobicContact CG2-CB 3.92Å; T72-R116 HydrophobicContact CG2-CG 3.98Å; T72-R116 PolarHBondContact OG1-NH1 2.94Å
73	K	84.7	Confident	88.3	Confident	99 Å²	99	57.3 Å²	57.3	43%	0.43	28%	0.278	S	S	.	.	H	α-helix	trans	-63.7	-13.1	178.1	-89.8	166.9	171.3	162.4	0	115.5	D71 D112	D71-K73 VanDerWaalsContact C-N 3.26Å; D71-K73 PolarHBondContact O-N 3.12Å; K73-D112 HydrophobicContact CD-CB 4.12Å; K73-D112 VanDerWaalsContact CE-OD1 3.25Å; K73-D112 WeakPolarHBondContact CE-OD1 3.19Å; K73-D112 HydrophobicContact CG-CB 4.13Å; K73-D112 IonicContact NZ-OD1 2.68Å; K73-D112 PolarHBondContact NZ-OD1 2.92Å
74	K	86.8	Confident	88.3	Confident	115 Å²	115	57 Å²	57	50%	0.5	28%	0.277	S	S	.	.	H	α-helix	trans	-96.4	-35.6	172.6	-59.4	170	-169	163.9	0	112.3	R70 D71 T72	R70-K74 WeakPolarHBondContact O-CE 3.43Å; D71-K74 WeakPolarHBondContact O-CB 3.31Å; D71-K74 PolarHBondContact O-N 3.11Å; D71-K74 WeakPolarHBondContact OD1-CE 3.42Å; D71-K74 IonicContact OD1-NZ 2.65Å; D71-K74 PolarHBondContact OD1-NZ 3.34Å; T72-K74 PolarHBondContact O-N 3.15Å; T72-K74 VanDerWaalsContact O-N 3.08Å
75	Q	86.8	Confident	88.3	Confident	71 Å²	71	60.7 Å²	60.7	33%	0.332	29%	0.294	S	S	.	.	H	α-helix	trans	-93.7	-26.9	-172.6	-63.2	-69.4	-101.1	0	0	113.3	V64 L67 D71 T72 E78 F79	V64-Q75 HydrophobicContact CG2-CB 4.25Å; L67-Q75 HydrophobicContact CD1-CB 3.91Å; L67-Q75 HydrophobicContact CD1-CG 3.69Å; D71-Q75 PolarHBondContact O-N 2.86Å; T72-Q75 PolarHBondContact O-N 3.4Å; T72-Q75 VanDerWaalsContact O-N 3.12Å; Q75-E78 PolarHBondContact NE2-OE2 2.85Å; Q75-E78 PolarHBondContact O-N 3.3Å; Q75-F79 WeakPolarHBondContact O-CB 3.49Å; Q75-F79 PolarHBondContact O-N 3.16Å
76	F	90.2	Very high	88.2	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60.8	-41.2	175.5	-174.1	-85	0	0	0	113.2	V64 T72 F79 Y80 L102 P107 L110 Q115 Y118	V64-F76 HydrophobicContact CG1-CB 4.11Å; V64-F76 HydrophobicContact CG1-CD2 3.88Å; T72-F76 WeakPolarHBondContact O-CB 3.42Å; T72-F76 PolarHBondContact O-N 3.17Å; F76-F79 HydrophobicContact CD2-CD1 4.37Å; F76-F79 HydrophobicContact CE2-CD1 4.44Å; F76-F79 PolarHBondContact O-N 2.96Å; F76-Y80 WeakPolarHBondContact O-CB 3.31Å; F76-Y80 PolarHBondContact O-N 3.32Å; F76-L102 HydrophobicContact CZ-CD2 4.37Å; F76-P107 HydrophobicContact CD1-CB 4.19Å; F76-P107 HydrophobicContact CE1-CB 4.03Å; F76-L110 HydrophobicContact CE1-CD1 3.8Å; F76-L110 HydrophobicContact CZ-CD1 4.15Å; F76-Q115 HydrophobicContact CB-CB 4.1Å; F76-Q115 HydrophobicContact CB-CG 4.09Å; F76-Q115 HydrophobicContact CD1-CB 4.24Å; F76-Q115 HydrophobicContact CD1-CG 3.67Å; F76-Q115 HydrophobicContact CD2-CB 3.51Å; F76-Q115 HydrophobicContact CD2-CG 3.91Å; F76-Q115 WeakPolarHBondContact CD2-O 3.32Å; F76-Q115 HydrophobicContact CE1-CG 4.07Å; F76-Q115 HydrophobicContact CE2-CB 3.99Å; F76-Q115 HydrophobicContact CE2-CG 4.3Å; F76-Q115 VanDerWaalsContact CE2-O 3.25Å; F76-Q115 WeakPolarHBondContact CE2-O 3.45Å; F76-Q115 HydrophobicContact CG-CB 3.67Å; F76-Q115 HydrophobicContact CG-CG 3.6Å; F76-Q115 HydrophobicContact CZ-CG 4.37Å; F76-Y118 HydrophobicContact CZ-CD2 4.15Å
77	P	90.1	Very high	88.2	Confident	28 Å²	28	60.6 Å²	60.6	18%	0.182	31%	0.307	C	S	.	.	H	α-helix	trans	-64.3	-38.4	174.5	-23.7	35.7	0	0	0	113.3	Y80 N81 E108	P77-Y80 PolarHBondContact O-N 2.93Å; P77-N81 VanDerWaalsContact O-CG 3.26Å; P77-N81 PolarHBondContact O-N 3.01Å; P77-N81 PolarHBondContact O-OD1 3.22Å; P77-E108 HydrophobicContact CG-CG 4.43Å
78	E	89.2	Confident	88.3	Confident	110 Å²	110	59.3 Å²	59.3	51%	0.514	30%	0.303	S	S	.	.	H	α-helix	trans	-66.4	-42.4	175.4	-64.7	-177.8	170.5	0	0	111	Q75 N82	Q75-E78 PolarHBondContact NE2-OE2 2.85Å; Q75-E78 PolarHBondContact O-N 3.3Å; E78-N82 VanDerWaalsContact O-CB 3.28Å; E78-N82 WeakPolarHBondContact O-CB 3.43Å; E78-N82 PolarHBondContact O-N 3.49Å; E78-N82 PolarHBondContact O-ND2 3.46Å
79	F	92.3	Very high	88.3	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.018	30%	0.303	C	S	.	.	H	α-helix	trans	-61.2	-44.3	173.2	172.5	-113.7	0	0	0	112.5	H60 A61 V64 Q75 F76 N82 F83 L84 A119	H60-F79 HydrophobicContact CB-CD2 3.78Å; H60-F79 HydrophobicContact CB-CE2 4.09Å; A61-F79 HydrophobicContact CB-CE2 4.02Å; A61-F79 HydrophobicContact CB-CZ 3.73Å; V64-F79 HydrophobicContact CG2-CB 3.97Å; V64-F79 HydrophobicContact CG2-CD1 4.46Å; V64-F79 HydrophobicContact CG2-CG 4.17Å; Q75-F79 WeakPolarHBondContact O-CB 3.49Å; Q75-F79 PolarHBondContact O-N 3.16Å; F76-F79 HydrophobicContact CD2-CD1 4.37Å; F76-F79 HydrophobicContact CE2-CD1 4.44Å; F76-F79 PolarHBondContact O-N 2.96Å; F79-N82 PolarHBondContact O-N 3.18Å; F79-F83 AromaticContact CD2-CD2 3.57Å; F79-F83 HydrophobicContact CD2-CD2 3.57Å; F79-F83 HydrophobicContact CD2-CE2 4.12Å; F79-F83 HydrophobicContact CD2-CG 4.46Å; F79-F83 HydrophobicContact CE2-CB 4.44Å; F79-F83 AromaticContact CE2-CD2 3.86Å; F79-F83 HydrophobicContact CE2-CD2 3.86Å; F79-F83 HydrophobicContact CE2-CG 4.38Å; F79-F83 WeakPolarHBondContact O-CD2 3.45Å; F79-F83 PolarHBondContact O-N 3.43Å; F79-L84 HydrophobicContact CD1-CD1 4.12Å; F79-L84 HydrophobicContact CE1-CD1 3.72Å; F79-L84 HydrophobicContact CE1-CG 4.32Å; F79-L84 HydrophobicContact CZ-CD1 4.38Å; F79-L84 HydrophobicContact CZ-CD2 4.45Å; F79-A119 HydrophobicContact CE1-CB 4.23Å
80	Y	91.5	Very high	88.7	Confident	26 Å²	26	57.6 Å²	57.6	10%	0.102	29%	0.286	C	S	.	.	I	π-helix	trans	-60.5	-52.4	176.7	176.3	-91	0	0	0	111.5	F76 P77 N82 F83 L84 E85 L102 P107	F76-Y80 WeakPolarHBondContact O-CB 3.31Å; F76-Y80 PolarHBondContact O-N 3.32Å; P77-Y80 PolarHBondContact O-N 2.93Å; Y80-N82 VanDerWaalsContact C-N 3.26Å; Y80-N82 PolarHBondContact O-N 3.15Å; Y80-F83 PolarHBondContact O-N 2.95Å; Y80-L84 HydrophobicContact CD2-CB 3.66Å; Y80-L84 HydrophobicContact CD2-CD1 4.13Å; Y80-L84 HydrophobicContact CD2-CG 4.47Å; Y80-L84 HydrophobicContact CE2-CB 4.08Å; Y80-L84 HydrophobicContact CG-CB 4.3Å; Y80-L84 CarbonylContact O-C 3.55Å; Y80-L84 WeakPolarHBondContact O-CA 3.5Å; Y80-L84 PolarHBondContact O-N 3.14Å; Y80-E85 HydrophobicContact CD1-CB 4.17Å; Y80-E85 HydrophobicContact CE1-CB 3.75Å; Y80-E85 HydrophobicContact CE1-CG 4.15Å; Y80-E85 PolarHBondContact O-N 2.63Å; Y80-L102 HydrophobicContact CD2-CD1 4.35Å; Y80-L102 HydrophobicContact CD2-CD2 4.13Å; Y80-L102 HydrophobicContact CE2-CB 4.04Å; Y80-L102 HydrophobicContact CE2-CD1 4.16Å; Y80-L102 HydrophobicContact CE2-CD2 4.05Å; Y80-L102 HydrophobicContact CE2-CG 4.32Å; Y80-P107 HydrophobicContact CD1-CB 4.45Å; Y80-P107 HydrophobicContact CD1-CG 3.48Å; Y80-P107 VanDerWaalsContact CD1-CG 3.48Å; Y80-P107 HydrophobicContact CD2-CG 3.92Å; Y80-P107 HydrophobicContact CE1-CG 3.69Å; Y80-P107 HydrophobicContact CE2-CG 4.12Å; Y80-P107 HydrophobicContact CG-CB 4.3Å; Y80-P107 HydrophobicContact CG-CG 3.6Å
81	N	91.2	Very high	89.1	Confident	60 Å²	60	54.8 Å²	54.8	32%	0.321	28%	0.276	S	S	.	.	I	π-helix	trans	-62.9	-31.6	-179.9	-65.8	6.3	0	0	0	112.6	P77 A88	P77-N81 VanDerWaalsContact O-CG 3.26Å; P77-N81 PolarHBondContact O-N 3.01Å; P77-N81 PolarHBondContact O-OD1 3.22Å; N81-A88 VanDerWaalsContact O-CB 3.27Å; N81-A88 WeakPolarHBondContact O-CB 3.33Å
82	N	91	Very high	89.5	Confident	78 Å²	78	53.3 Å²	53.3	42%	0.417	27%	0.268	S	S	.	.	I	π-helix	trans	-80.1	-32.7	-178.2	-73.1	-24.4	0	0	0	114	E78 F79 Y80 L90	E78-N82 VanDerWaalsContact O-CB 3.28Å; E78-N82 WeakPolarHBondContact O-CB 3.43Å; E78-N82 PolarHBondContact O-N 3.49Å; E78-N82 PolarHBondContact O-ND2 3.46Å; F79-N82 PolarHBondContact O-N 3.18Å; Y80-N82 VanDerWaalsContact C-N 3.26Å; Y80-N82 PolarHBondContact O-N 3.15Å; N82-L90 WeakPolarHBondContact O-CB 3.45Å; N82-L90 PolarHBondContact O-N 2.99Å
83	F	94.1	Very high	89.5	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.292	C	S	.	.	I	π-helix	trans	-131.4	-22.1	-168.9	-59.1	-79.1	0	0	0	116.1	L56 C57 H60 F79 Y80 L90 R91 V92 A201	L56-F83 HydrophobicContact CB-CE1 3.67Å; L56-F83 HydrophobicContact CB-CZ 3.9Å; C57-F83 HydrophobicContact CB-CB 4.19Å; C57-F83 HydrophobicContact CB-CD1 3.64Å; C57-F83 HydrophobicContact CB-CE1 4.16Å; C57-F83 HydrophobicContact CB-CG 3.93Å; H60-F83 HydrophobicContact CB-CD2 4.49Å; H60-F83 HydrophobicContact CB-CE2 3.78Å; H60-F83 HydrophobicContact CB-CZ 4.33Å; H60-F83 AromaticContact CG-CE2 3.69Å; H60-F83 AromaticContact ND1-CE2 3.86Å; F79-F83 AromaticContact CD2-CD2 3.57Å; F79-F83 HydrophobicContact CD2-CD2 3.57Å; F79-F83 HydrophobicContact CD2-CE2 4.12Å; F79-F83 HydrophobicContact CD2-CG 4.46Å; F79-F83 HydrophobicContact CE2-CB 4.44Å; F79-F83 AromaticContact CE2-CD2 3.86Å; F79-F83 HydrophobicContact CE2-CD2 3.86Å; F79-F83 HydrophobicContact CE2-CG 4.38Å; F79-F83 WeakPolarHBondContact O-CD2 3.45Å; F79-F83 PolarHBondContact O-N 3.43Å; Y80-F83 PolarHBondContact O-N 2.95Å; F83-L90 HydrophobicContact CD1-CB 3.78Å; F83-L90 WeakPolarHBondContact CD1-O 3.24Å; F83-L90 HydrophobicContact CE1-CB 3.79Å; F83-L90 HydrophobicContact CE1-CD1 3.8Å; F83-L90 HydrophobicContact CE1-CG 4.47Å; F83-L90 HydrophobicContact CZ-CD1 4.24Å; F83-R91 WeakPolarHBondContact O-CA 3.12Å; F83-V92 PolarHBondContact O-N 3.05Å; F83-A201 HydrophobicContact CZ-CB 4.16Å
84	L	91.8	Very high	89.7	Confident	8 Å²	8	53.7 Å²	53.7	4%	0.042	28%	0.28	C	S	.	.	I	π-helix	trans	-116.9	-27.8	-168.6	-49.1	-176.2	0	0	0	113.9	F79 Y80 V92 M94 L102 V122	F79-L84 HydrophobicContact CD1-CD1 4.12Å; F79-L84 HydrophobicContact CE1-CD1 3.72Å; F79-L84 HydrophobicContact CE1-CG 4.32Å; F79-L84 HydrophobicContact CZ-CD1 4.38Å; F79-L84 HydrophobicContact CZ-CD2 4.45Å; Y80-L84 HydrophobicContact CD2-CB 3.66Å; Y80-L84 HydrophobicContact CD2-CD1 4.13Å; Y80-L84 HydrophobicContact CD2-CG 4.47Å; Y80-L84 HydrophobicContact CE2-CB 4.08Å; Y80-L84 HydrophobicContact CG-CB 4.3Å; Y80-L84 CarbonylContact O-C 3.55Å; Y80-L84 WeakPolarHBondContact O-CA 3.5Å; Y80-L84 PolarHBondContact O-N 3.14Å; L84-V92 HydrophobicContact CD2-CG2 4.16Å; L84-M94 HydrophobicContact CB-CE 4.38Å; L84-M94 HydrophobicContact CD1-CE 4.26Å; L84-M94 HydrophobicContact CD2-CE 4.01Å; L84-M94 HydrophobicContact CG-CE 4.44Å; L84-L102 HydrophobicContact CD1-CD1 4.38Å; L84-V122 HydrophobicContact CD2-CG1 4Å; L84-V122 HydrophobicContact CD2-CG2 4.2Å
85	E	89.7	Confident	89.8	Confident	82 Å²	82	49.6 Å²	49.6	38%	0.383	27%	0.265	S	S	.	.	S	Bend	trans	-60	142.8	175.8	-176	172.4	-149	0	0	110.6	Y80 G87 A88	Y80-E85 HydrophobicContact CD1-CB 4.17Å; Y80-E85 HydrophobicContact CE1-CB 3.75Å; Y80-E85 HydrophobicContact CE1-CG 4.15Å; Y80-E85 PolarHBondContact O-N 2.63Å; E85-G87 PolarHBondContact O-N 3.39Å; E85-A88 HydrophobicContact CB-CB 4.27Å; E85-A88 WeakPolarHBondContact O-CB 3.44Å; E85-A88 PolarHBondContact O-N 3.18Å
86	K	84.1	Confident	89.7	Confident	115 Å²	115	51.2 Å²	51.2	50%	0.5	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-27	-175.5	-79.6	173.4	171.5	163.2	0	114.5	R91 D103	K86-R91 WeakPolarHBondContact O-CD 3.24Å; K86-R91 PolarHBondContact O-NH1 3.17Å; K86-D103 WeakPolarHBondContact CE-OD1 3.19Å; K86-D103 WeakPolarHBondContact CE-OD2 3.26Å; K86-D103 IonicContact NZ-OD1 2.71Å; K86-D103 PolarHBondContact NZ-OD1 3.48Å; K86-D103 IonicContact NZ-OD2 3.68Å; K86-D103 PolarHBondContact NZ-OD2 3.45Å
87	G	84.4	Confident	89.5	Confident	68 Å²	68	54.4 Å²	54.4	70%	0.701	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	12.2	175.5	0	0	0	0	0	115.1	E85	E85-G87 PolarHBondContact O-N 3.39Å
88	A	89.4	Confident	89.3	Confident	14 Å²	14	53.6 Å²	53.6	12%	0.116	30%	0.301	C	S	.	.			trans	-63.8	139.1	-178.7	0	0	0	0	0	112.4	N81 E85 L90 R91	N81-A88 VanDerWaalsContact O-CB 3.27Å; N81-A88 WeakPolarHBondContact O-CB 3.33Å; E85-A88 HydrophobicContact CB-CB 4.27Å; E85-A88 WeakPolarHBondContact O-CB 3.44Å; E85-A88 PolarHBondContact O-N 3.18Å; A88-L90 VanDerWaalsContact C-N 3.34Å; A88-L90 PolarHBondContact O-N 2.93Å; A88-R91 HydrophobicContact CB-CB 4.03Å; A88-R91 VanDerWaalsContact O-CB 3.26Å; A88-R91 WeakPolarHBondContact O-CB 3.31Å; A88-R91 PolarHBondContact O-N 3.48Å
89	I	88.2	Confident	89.1	Confident	92 Å²	92	50.1 Å²	50.1	47%	0.472	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-30.1	-176.4	-60.6	174	0	0	0	111.7	K194 A197	I89-K194 HydrophobicContact CG2-CB 3.89Å; I89-K194 HydrophobicContact CG2-CG 4.09Å; I89-A197 HydrophobicContact CB-CB 4.07Å; I89-A197 HydrophobicContact CG2-CB 3.64Å
90	L	91.3	Very high	88.8	Confident	6 Å²	6	55.6 Å²	55.6	3%	0.031	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	38.4	172.6	-51.8	-178.6	0	0	0	110.7	A53 L56 N82 F83 A88 V92 K194 A197 V198 A201	A53-L90 HydrophobicContact CB-CB 3.99Å; A53-L90 WeakPolarHBondContact CB-O 3.37Å; L56-L90 HydrophobicContact CD1-CD1 4.12Å; N82-L90 WeakPolarHBondContact O-CB 3.45Å; N82-L90 PolarHBondContact O-N 2.99Å; F83-L90 HydrophobicContact CD1-CB 3.78Å; F83-L90 WeakPolarHBondContact CD1-O 3.24Å; F83-L90 HydrophobicContact CE1-CB 3.79Å; F83-L90 HydrophobicContact CE1-CD1 3.8Å; F83-L90 HydrophobicContact CE1-CG 4.47Å; F83-L90 HydrophobicContact CZ-CD1 4.24Å; A88-L90 VanDerWaalsContact C-N 3.34Å; A88-L90 PolarHBondContact O-N 2.93Å; L90-V92 PolarHBondContact O-N 3.32Å; L90-K194 HydrophobicContact CD2-CG 4.19Å; L90-A197 HydrophobicContact CD1-CB 4.3Å; L90-A197 HydrophobicContact CD2-CB 4.05Å; L90-A197 HydrophobicContact CG-CB 3.98Å; L90-V198 HydrophobicContact CD2-CG2 3.62Å; L90-A201 HydrophobicContact CD1-CB 3.83Å
91	R	92.7	Very high	88.5	Confident	131 Å²	131	58.4 Å²	58.4	49%	0.494	33%	0.326	S	S	.	.			trans	-59.3	129.4	-177.9	-176.3	171.6	171.9	-156.7	-13.4	111.7	F83 K86 A88	F83-R91 WeakPolarHBondContact O-CA 3.12Å; K86-R91 WeakPolarHBondContact O-CD 3.24Å; K86-R91 PolarHBondContact O-NH1 3.17Å; A88-R91 HydrophobicContact CB-CB 4.03Å; A88-R91 VanDerWaalsContact O-CB 3.26Å; A88-R91 WeakPolarHBondContact O-CB 3.31Å; A88-R91 PolarHBondContact O-N 3.48Å
92	V	92.9	Very high	88.2	Confident	12 Å²	12	55.9 Å²	55.9	7%	0.073	31%	0.313	C	S	.	.			trans	-104.6	167.5	173.9	-61.4	0	0	0	0	112.7	A53 C57 F83 L84 L90 V122	A53-V92 VanDerWaalsContact C-CG1 3.47Å; A53-V92 HydrophobicContact CB-CG1 3.86Å; A53-V92 WeakPolarHBondContact O-CG1 3.49Å; C57-V92 HydrophobicContact CB-CB 4.48Å; C57-V92 HydrophobicContact CB-CG1 3.64Å; C57-V92 HydrophobicContact CB-CG2 4.1Å; C57-V92 VanDerWaalsContact SG-CG2 3.59Å; F83-V92 PolarHBondContact O-N 3.05Å; L84-V92 HydrophobicContact CD2-CG2 4.16Å; L90-V92 PolarHBondContact O-N 3.32Å; V92-V122 HydrophobicContact CG2-CG1 4.35Å
93	S	88.3	Confident	87.9	Confident	73 Å²	73	56.3 Å²	56.3	51%	0.51	32%	0.315	S	S	.	.			trans	-71.1	149.7	165.3	54.7	0	0	0	0	111.1	Q126	S93-Q126 PolarHBondContact O-NE2 3.19Å; S93-Q126 PolarHBondContact OG-NE2 3.43Å; S93-Q126 VanDerWaalsContact OG-NE2 3.08Å
94	M	88.1	Confident	87.3	Confident	34 Å²	34	65 Å²	65	17%	0.167	35%	0.348	C	S	.	.			trans	-152.6	159.1	178.4	75.1	-165.4	-51.7	0	0	111.8	L84 L98 L102 V122	L84-M94 HydrophobicContact CB-CE 4.38Å; L84-M94 HydrophobicContact CD1-CE 4.26Å; L84-M94 HydrophobicContact CD2-CE 4.01Å; L84-M94 HydrophobicContact CG-CE 4.44Å; M94-L98 HydrophobicContact CE-CB 4.07Å; M94-L102 HydrophobicContact CE-CD1 3.51Å; M94-V122 HydrophobicContact CB-CG2 4.29Å; M94-V122 HydrophobicContact CE-CG2 3.79Å
95	P	89.6	Confident	87	Confident	30 Å²	30	67.3 Å²	67.3	20%	0.195	36%	0.362	C	S	.	.			trans	-53.2	137.8	173.9	-26.3	33.7	0	0	0	113	S97 L98 S99 F125	P95-S97 VanDerWaalsContact C-N 3.29Å; P95-S97 PolarHBondContact O-N 2.95Å; P95-L98 HydrophobicContact CB-CD1 4.23Å; P95-L98 HydrophobicContact CB-CG 4.14Å; P95-L98 HydrophobicContact CG-CD1 3.98Å; P95-L98 HydrophobicContact CG-CG 4.43Å; P95-L98 PolarHBondContact O-N 3.19Å; P95-L98 VanDerWaalsContact O-N 3.16Å; P95-S99 PolarHBondContact O-N 3.26Å; P95-F125 HydrophobicContact CG-CB 4.25Å; P95-F125 HydrophobicContact CG-CD2 3.76Å; P95-F125 HydrophobicContact CG-CE2 4.31Å; P95-F125 HydrophobicContact CG-CG 4.07Å
96	S	84.5	Confident	86.5	Confident	105 Å²	105	71.2 Å²	71.2	73%	0.734	37%	0.374	S	S	*	.	H	α-helix	trans	-62.5	-32	-176.3	50.1	0	0	0	0	113.6	F100	S96-F100 WeakPolarHBondContact O-CB 3.3Å; S96-F100 PolarHBondContact O-N 2.82Å
97	S	85.1	Confident	86.3	Confident	67 Å²	67	66.4 Å²	66.4	47%	0.469	35%	0.354	S	S	.	.	H	α-helix	trans	-60	-50.5	171.9	47.7	0	0	0	0	112.2	P95 S99 F100 E101	P95-S97 VanDerWaalsContact C-N 3.29Å; P95-S97 PolarHBondContact O-N 2.95Å; S97-S99 PolarHBondContact O-N 3.43Å; S97-F100 PolarHBondContact O-N 3.12Å; S97-E101 WeakPolarHBondContact O-CG 3.37Å; S97-E101 PolarHBondContact O-N 3.13Å
98	L	86.2	Confident	86	Confident	10 Å²	10	68.8 Å²	68.8	5%	0.052	35%	0.347	C	S	.	.	H	α-helix	trans	-64.9	-40.9	179.5	-58	-177.2	0	0	0	111.7	M94 P95 F100 E101 L102 Y118 D121 V122	M94-L98 HydrophobicContact CE-CB 4.07Å; P95-L98 HydrophobicContact CB-CD1 4.23Å; P95-L98 HydrophobicContact CB-CG 4.14Å; P95-L98 HydrophobicContact CG-CD1 3.98Å; P95-L98 HydrophobicContact CG-CG 4.43Å; P95-L98 PolarHBondContact O-N 3.19Å; P95-L98 VanDerWaalsContact O-N 3.16Å; L98-F100 VanDerWaalsContact C-N 3.32Å; L98-F100 PolarHBondContact O-N 3.15Å; L98-E101 PolarHBondContact O-N 2.99Å; L98-L102 VanDerWaalsContact O-CB 3.31Å; L98-L102 WeakPolarHBondContact O-CB 3.41Å; L98-L102 VanDerWaalsContact O-CG 3.31Å; L98-L102 WeakPolarHBondContact O-CG 3.47Å; L98-L102 PolarHBondContact O-N 2.92Å; L98-Y118 HydrophobicContact CD2-CD1 3.49Å; L98-Y118 VanDerWaalsContact CD2-CD1 3.49Å; L98-Y118 HydrophobicContact CD2-CE1 3.69Å; L98-Y118 HydrophobicContact CD2-CG 4.38Å; L98-D121 HydrophobicContact CD1-CB 3.64Å; L98-V122 HydrophobicContact CD1-CG2 4Å
99	S	85.9	Confident	85.7	Confident	37 Å²	37	74.7 Å²	74.7	26%	0.259	38%	0.376	S	S	.	.	H	α-helix	trans	-56.2	-47	174	-173.2	0	0	0	0	111.2	P95 S97 D103	P95-S99 PolarHBondContact O-N 3.26Å; S97-S99 PolarHBondContact O-N 3.43Å; S99-D103 WeakPolarHBondContact O-CB 3.44Å; S99-D103 PolarHBondContact O-N 2.89Å
100	F	85.2	Confident	85.6	Confident	120 Å²	120	71 Å²	71	53%	0.526	36%	0.357	S	S	.	.	H	α-helix	trans	-67.7	-36.8	178.5	-179.5	-98.4	0	0	0	113.7	S96 S97 L98 R104	S96-F100 WeakPolarHBondContact O-CB 3.3Å; S96-F100 PolarHBondContact O-N 2.82Å; S97-F100 PolarHBondContact O-N 3.12Å; L98-F100 VanDerWaalsContact C-N 3.32Å; L98-F100 PolarHBondContact O-N 3.15Å; F100-R104 VanDerWaalsContact CE1-CD 3.46Å; F100-R104 VanDerWaalsContact O-CD 3.25Å; F100-R104 WeakPolarHBondContact O-CD 3.39Å; F100-R104 WeakPolarHBondContact O-CG 3.48Å; F100-R104 PolarHBondContact O-N 3.26Å
101	E	84.5	Confident	85.4	Confident	84 Å²	84	73.4 Å²	73.4	39%	0.393	37%	0.374	S	S	.	.	H	α-helix	trans	-71.2	-40.6	177.6	-72.9	177.2	-162.1	0	0	112.3	S97 L98 R104 T105 Y118	S97-E101 WeakPolarHBondContact O-CG 3.37Å; S97-E101 PolarHBondContact O-N 3.13Å; L98-E101 PolarHBondContact O-N 2.99Å; E101-R104 PolarHBondContact O-N 3.28Å; E101-T105 WeakPolarHBondContact O-CB 3.35Å; E101-T105 PolarHBondContact O-N 3.34Å; E101-T105 VanDerWaalsContact O-N 3.11Å; E101-T105 PolarHBondContact O-OG1 3Å; E101-T105 VanDerWaalsContact O-OG1 3.1Å; E101-Y118 WeakPolarHBondContact CB-OH 3.38Å; E101-Y118 WeakPolarHBondContact OE2-CE1 3.25Å; E101-Y118 VanDerWaalsContact OE2-CZ 3.31Å; E101-Y118 PolarHBondContact OE2-OH 3.39Å
102	L	85.6	Confident	85.1	Confident	8 Å²	8	68.4 Å²	68.4	4%	0.042	36%	0.358	C	S	.	.	H	α-helix	trans	-71.8	-31.3	176.7	-71.9	167.3	0	0	0	113.1	F76 Y80 L84 M94 L98 R104 L110 Y118	F76-L102 HydrophobicContact CZ-CD2 4.37Å; Y80-L102 HydrophobicContact CD2-CD1 4.35Å; Y80-L102 HydrophobicContact CD2-CD2 4.13Å; Y80-L102 HydrophobicContact CE2-CB 4.04Å; Y80-L102 HydrophobicContact CE2-CD1 4.16Å; Y80-L102 HydrophobicContact CE2-CD2 4.05Å; Y80-L102 HydrophobicContact CE2-CG 4.32Å; L84-L102 HydrophobicContact CD1-CD1 4.38Å; M94-L102 HydrophobicContact CE-CD1 3.51Å; L98-L102 VanDerWaalsContact O-CB 3.31Å; L98-L102 WeakPolarHBondContact O-CB 3.41Å; L98-L102 VanDerWaalsContact O-CG 3.31Å; L98-L102 WeakPolarHBondContact O-CG 3.47Å; L98-L102 PolarHBondContact O-N 2.92Å; L102-R104 PolarHBondContact O-N 3.06Å; L102-L110 HydrophobicContact CD2-CD1 4.02Å; L102-Y118 HydrophobicContact CD2-CD2 3.9Å; L102-Y118 HydrophobicContact CD2-CE2 3.95Å; L102-Y118 HydrophobicContact CG-CD2 4.34Å; L102-Y118 HydrophobicContact CG-CE2 4.3Å
103	D	84	Confident	84.8	Confident	86 Å²	86	72.8 Å²	72.8	46%	0.46	38%	0.381	S	S	.	.	H	α-helix	trans	-63.5	-25.7	170.8	-93.1	-25.2	0	0	0	113.1	K86 S99	K86-D103 WeakPolarHBondContact CE-OD1 3.19Å; K86-D103 WeakPolarHBondContact CE-OD2 3.26Å; K86-D103 IonicContact NZ-OD1 2.71Å; K86-D103 PolarHBondContact NZ-OD1 3.48Å; K86-D103 IonicContact NZ-OD2 3.68Å; K86-D103 PolarHBondContact NZ-OD2 3.45Å; S99-D103 WeakPolarHBondContact O-CB 3.44Å; S99-D103 PolarHBondContact O-N 2.89Å
104	R	82.9	Confident	84.8	Confident	183 Å²	183	71 Å²	71	69%	0.691	37%	0.367	S	S	*	.	H	α-helix	trans	-100.6	-19.6	-174.2	-66.3	170.8	71	94.8	4	113.4	F100 E101 L102	F100-R104 VanDerWaalsContact CE1-CD 3.46Å; F100-R104 VanDerWaalsContact O-CD 3.25Å; F100-R104 WeakPolarHBondContact O-CD 3.39Å; F100-R104 WeakPolarHBondContact O-CG 3.48Å; F100-R104 PolarHBondContact O-N 3.26Å; E101-R104 PolarHBondContact O-N 3.28Å; L102-R104 PolarHBondContact O-N 3.06Å
105	T	84	Confident	84.9	Confident	56 Å²	56	69.5 Å²	69.5	34%	0.344	36%	0.359	S	S	.	.	S	Bend	trans	-131.9	121.4	-170.4	-41.2	0	0	0	0	110.5	E101 L110	E101-T105 WeakPolarHBondContact O-CB 3.35Å; E101-T105 PolarHBondContact O-N 3.34Å; E101-T105 VanDerWaalsContact O-N 3.11Å; E101-T105 PolarHBondContact O-OG1 3Å; E101-T105 VanDerWaalsContact O-OG1 3.1Å; T105-L110 HydrophobicContact CG2-CD2 3.68Å
106	R	80.2	Confident	84.9	Confident	164 Å²	164	70.4 Å²	70.4	62%	0.619	36%	0.359	S	S	*	.			trans	-60.2	133.2	178.1	-71.4	-168.4	177.9	-140.4	-0.5	111.3	E108 L109	R106-E108 WeakPolarHBondContact CB-OE2 3.48Å; R106-E108 PolarHBondContact O-N 3.08Å; R106-E108 VanDerWaalsContact O-N 3.08Å; R106-L109 HydrophobicContact CB-CD1 4.07Å; R106-L109 HydrophobicContact CB-CG 4.13Å; R106-L109 PolarHBondContact O-N 2.79Å
107	P	78.4	Confident	85.2	Confident	14 Å²	14	73.3 Å²	73.3	9%	0.091	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-51.2	-34.6	-178.1	-30.8	35.8	0	0	0	115.2	F76 Y80 L109 Q115	F76-P107 HydrophobicContact CD1-CB 4.19Å; F76-P107 HydrophobicContact CE1-CB 4.03Å; Y80-P107 HydrophobicContact CD1-CB 4.45Å; Y80-P107 HydrophobicContact CD1-CG 3.48Å; Y80-P107 VanDerWaalsContact CD1-CG 3.48Å; Y80-P107 HydrophobicContact CD2-CG 3.92Å; Y80-P107 HydrophobicContact CE1-CG 3.69Å; Y80-P107 HydrophobicContact CE2-CG 4.12Å; Y80-P107 HydrophobicContact CG-CB 4.3Å; Y80-P107 HydrophobicContact CG-CG 3.6Å; P107-L109 VanDerWaalsContact C-N 3.28Å; P107-L109 PolarHBondContact O-N 3.26Å; P107-Q115 PolarHBondContact O-NE2 2.97Å
108	E	79.8	Confident	85.5	Confident	119 Å²	119	70.9 Å²	70.9	56%	0.556	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-76.1	-13.3	-178.2	-41.8	96.7	126	0	0	113.7	P77 R106	P77-E108 HydrophobicContact CG-CG 4.43Å; R106-E108 WeakPolarHBondContact CB-OE2 3.48Å; R106-E108 PolarHBondContact O-N 3.08Å; R106-E108 VanDerWaalsContact O-N 3.08Å
109	L	82.6	Confident	85.8	Confident	137 Å²	137	70.4 Å²	70.4	72%	0.717	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-94.7	-8.5	178.4	-60.9	-179.7	0	0	0	113.2	R106 P107	R106-L109 HydrophobicContact CB-CD1 4.07Å; R106-L109 HydrophobicContact CB-CG 4.13Å; R106-L109 PolarHBondContact O-N 2.79Å; P107-L109 VanDerWaalsContact C-N 3.28Å; P107-L109 PolarHBondContact O-N 3.26Å
110	L	85.8	Confident	86	Confident	14 Å²	14	70.2 Å²	70.2	7%	0.073	33%	0.333	C	S	.	.	S	Bend	trans	-69.9	147	177.1	-60.4	173.6	0	0	0	111.2	F76 L102 T105 T114 Q115 Y118	F76-L110 HydrophobicContact CE1-CD1 3.8Å; F76-L110 HydrophobicContact CZ-CD1 4.15Å; L102-L110 HydrophobicContact CD2-CD1 4.02Å; T105-L110 HydrophobicContact CG2-CD2 3.68Å; L110-T114 HydrophobicContact CD2-CG2 4.12Å; L110-Q115 HydrophobicContact CB-CG 3.72Å; L110-Q115 HydrophobicContact CD1-CG 4.21Å; L110-Y118 HydrophobicContact CD1-CD2 3.83Å; L110-Y118 HydrophobicContact CD1-CE2 3.67Å; L110-Y118 HydrophobicContact CD2-CE2 3.97Å; L110-Y118 HydrophobicContact CG-CE2 4.47Å
111	S	88.1	Confident	86.4	Confident	57 Å²	57	67.4 Å²	67.4	40%	0.399	32%	0.323	S	S	.	.			trans	-66.5	150.1	166	65.5	0	0	0	0	110	D113 T114 Q115	S111-D113 PolarHBondContact O-N 2.84Å; S111-T114 PolarHBondContact O-N 2.61Å; S111-T114 VanDerWaalsContact O-N 3.09Å; S111-T114 WeakPolarHBondContact OG-CB 3.3Å; S111-T114 PolarHBondContact OG-N 3.07Å; S111-T114 PolarHBondContact OG-OG1 3.49Å; S111-Q115 WeakPolarHBondContact O-CG 3.34Å; S111-Q115 PolarHBondContact O-N 3.45Å
112	D	85.2	Confident	86.8	Confident	26 Å²	26	63.5 Å²	63.5	14%	0.139	31%	0.305	C	S	.	.	H	α-helix	trans	-67	-22.1	-178.3	44	-68	0	0	0	113.1	A69 T72 K73 R116	A69-D112 VanDerWaalsContact CA-OD2 3.31Å; A69-D112 WeakPolarHBondContact CA-OD2 3.33Å; A69-D112 WeakPolarHBondContact CB-OD2 3.45Å; T72-D112 HydrophobicContact CG2-CB 4.45Å; K73-D112 HydrophobicContact CD-CB 4.12Å; K73-D112 VanDerWaalsContact CE-OD1 3.25Å; K73-D112 WeakPolarHBondContact CE-OD1 3.19Å; K73-D112 HydrophobicContact CG-CB 4.13Å; K73-D112 IonicContact NZ-OD1 2.68Å; K73-D112 PolarHBondContact NZ-OD1 2.92Å; D112-R116 WeakPolarHBondContact O-CG 3.27Å; D112-R116 PolarHBondContact O-N 3.4Å; D112-R116 PolarHBondContact O-NE 3.45Å; D112-R116 IonicContact OD2-CZ 3.21Å; D112-R116 IonicContact OD2-NH1 2.67Å; D112-R116 IonicContact OD2-NH2 3.2Å; D112-R116 PolarHBondContact OD2-NH2 3.2Å
113	D	86.3	Confident	87.2	Confident	105 Å²	105	63.7 Å²	63.7	56%	0.561	31%	0.306	S	S	*	.	H	α-helix	trans	-75.5	-36.4	170.5	-60.7	-42.5	0	0	0	112.7	S111 R116 R117	S111-D113 PolarHBondContact O-N 2.84Å; D113-R116 PolarHBondContact O-N 3.15Å; D113-R116 IonicContact OD1-CZ 2.64Å; D113-R116 IonicContact OD1-NE 3.77Å; D113-R116 IonicContact OD1-NH2 2.95Å; D113-R116 PolarHBondContact OD1-NH2 3.14Å; D113-R117 WeakPolarHBondContact O-CB 3.36Å; D113-R117 PolarHBondContact O-N 3.13Å
114	T	89	Confident	87.6	Confident	36 Å²	36	67.2 Å²	67.2	22%	0.221	32%	0.317	C	S	.	.	H	α-helix	trans	-67.5	-39.5	170.7	-66.2	0	0	0	0	110.9	L110 S111 R117 Y118	L110-T114 HydrophobicContact CD2-CG2 4.12Å; S111-T114 PolarHBondContact O-N 2.61Å; S111-T114 VanDerWaalsContact O-N 3.09Å; S111-T114 WeakPolarHBondContact OG-CB 3.3Å; S111-T114 PolarHBondContact OG-N 3.07Å; S111-T114 PolarHBondContact OG-OG1 3.49Å; T114-R117 PolarHBondContact O-N 2.95Å; T114-Y118 HydrophobicContact CG2-CD1 4.22Å; T114-Y118 HydrophobicContact CG2-CD2 3.95Å; T114-Y118 HydrophobicContact CG2-CE1 3.78Å; T114-Y118 HydrophobicContact CG2-CE2 3.46Å; T114-Y118 VanDerWaalsContact CG2-CE2 3.46Å; T114-Y118 HydrophobicContact CG2-CG 4.32Å; T114-Y118 VanDerWaalsContact O-CG 3.29Å; T114-Y118 PolarHBondContact O-N 3.23Å
115	Q	89.4	Confident	88.1	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.009	31%	0.305	C	S	.	.	H	α-helix	trans	-59.5	-46	172.3	-70.8	179.6	-17.1	0	0	111.9	T72 F76 P107 L110 S111 A119	T72-Q115 HydrophobicContact CG2-CB 3.92Å; F76-Q115 HydrophobicContact CB-CB 4.1Å; F76-Q115 HydrophobicContact CB-CG 4.09Å; F76-Q115 HydrophobicContact CD1-CB 4.24Å; F76-Q115 HydrophobicContact CD1-CG 3.67Å; F76-Q115 HydrophobicContact CD2-CB 3.51Å; F76-Q115 HydrophobicContact CD2-CG 3.91Å; F76-Q115 WeakPolarHBondContact CD2-O 3.32Å; F76-Q115 HydrophobicContact CE1-CG 4.07Å; F76-Q115 HydrophobicContact CE2-CB 3.99Å; F76-Q115 HydrophobicContact CE2-CG 4.3Å; F76-Q115 VanDerWaalsContact CE2-O 3.25Å; F76-Q115 WeakPolarHBondContact CE2-O 3.45Å; F76-Q115 HydrophobicContact CG-CB 3.67Å; F76-Q115 HydrophobicContact CG-CG 3.6Å; F76-Q115 HydrophobicContact CZ-CG 4.37Å; P107-Q115 PolarHBondContact O-NE2 2.97Å; L110-Q115 HydrophobicContact CB-CG 3.72Å; L110-Q115 HydrophobicContact CD1-CG 4.21Å; S111-Q115 WeakPolarHBondContact O-CG 3.34Å; S111-Q115 PolarHBondContact O-N 3.45Å; Q115-A119 WeakPolarHBondContact O-CB 3.26Å; Q115-A119 PolarHBondContact O-N 3.19Å
116	R	89.9	Confident	88.6	Confident	49 Å²	49	60.9 Å²	60.9	19%	0.185	29%	0.29	C	S	.	.	H	α-helix	trans	-63.8	-40.7	174.6	-79.5	-177.1	-75.7	-90.4	-3.8	112.6	L67 T72 D112 D113 A120	L67-R116 PolarHBondContact O-NH1 3.45Å; T72-R116 HydrophobicContact CG2-CG 3.98Å; T72-R116 PolarHBondContact OG1-NH1 2.94Å; D112-R116 WeakPolarHBondContact O-CG 3.27Å; D112-R116 PolarHBondContact O-N 3.4Å; D112-R116 PolarHBondContact O-NE 3.45Å; D112-R116 IonicContact OD2-CZ 3.21Å; D112-R116 IonicContact OD2-NH1 2.67Å; D112-R116 IonicContact OD2-NH2 3.2Å; D112-R116 PolarHBondContact OD2-NH2 3.2Å; D113-R116 PolarHBondContact O-N 3.15Å; D113-R116 IonicContact OD1-CZ 2.64Å; D113-R116 IonicContact OD1-NE 3.77Å; D113-R116 IonicContact OD1-NH2 2.95Å; D113-R116 PolarHBondContact OD1-NH2 3.14Å; R116-A120 WeakPolarHBondContact O-CB 3.39Å; R116-A120 PolarHBondContact O-N 3.34Å
117	R	90.6	Very high	89.2	Confident	166 Å²	166	56 Å²	56	63%	0.626	28%	0.278	S	S	*	.	H	α-helix	trans	-59.9	-54.1	174.4	172.2	174	-76.7	149.4	-3.5	111.4	D113 T114 A119 A120 D121	D113-R117 WeakPolarHBondContact O-CB 3.36Å; D113-R117 PolarHBondContact O-N 3.13Å; T114-R117 PolarHBondContact O-N 2.95Å; R117-A119 VanDerWaalsContact C-N 3.3Å; R117-A119 PolarHBondContact O-N 2.97Å; R117-A120 PolarHBondContact O-N 3.1Å; R117-D121 WeakPolarHBondContact CG-OD2 3.25Å; R117-D121 PolarHBondContact O-N 3.47Å
118	Y	91.7	Very high	89.9	Confident	15 Å²	15	58.8 Å²	58.8	6%	0.059	30%	0.303	C	S	.	.	H	α-helix	trans	-58.9	-39.7	-179.8	-67.1	-14.5	0	0	0	112.5	F76 L98 E101 L102 L110 T114 D121 V122	F76-Y118 HydrophobicContact CZ-CD2 4.15Å; L98-Y118 HydrophobicContact CD2-CD1 3.49Å; L98-Y118 VanDerWaalsContact CD2-CD1 3.49Å; L98-Y118 HydrophobicContact CD2-CE1 3.69Å; L98-Y118 HydrophobicContact CD2-CG 4.38Å; E101-Y118 WeakPolarHBondContact CB-OH 3.38Å; E101-Y118 WeakPolarHBondContact OE2-CE1 3.25Å; E101-Y118 VanDerWaalsContact OE2-CZ 3.31Å; E101-Y118 PolarHBondContact OE2-OH 3.39Å; L102-Y118 HydrophobicContact CD2-CD2 3.9Å; L102-Y118 HydrophobicContact CD2-CE2 3.95Å; L102-Y118 HydrophobicContact CG-CD2 4.34Å; L102-Y118 HydrophobicContact CG-CE2 4.3Å; L110-Y118 HydrophobicContact CD1-CD2 3.83Å; L110-Y118 HydrophobicContact CD1-CE2 3.67Å; L110-Y118 HydrophobicContact CD2-CE2 3.97Å; L110-Y118 HydrophobicContact CG-CE2 4.47Å; T114-Y118 HydrophobicContact CG2-CD1 4.22Å; T114-Y118 HydrophobicContact CG2-CD2 3.95Å; T114-Y118 HydrophobicContact CG2-CE1 3.78Å; T114-Y118 HydrophobicContact CG2-CE2 3.46Å; T114-Y118 VanDerWaalsContact CG2-CE2 3.46Å; T114-Y118 HydrophobicContact CG2-CG 4.32Å; T114-Y118 VanDerWaalsContact O-CG 3.29Å; T114-Y118 PolarHBondContact O-N 3.23Å; Y118-D121 PolarHBondContact O-N 2.97Å; Y118-V122 WeakPolarHBondContact O-CG2 3.43Å; Y118-V122 PolarHBondContact O-N 2.99Å
119	A	91.9	Very high	90.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.9	-45.3	173.2	0	0	0	0	0	111.9	A61 V64 F79 Q115 R117 Q123	A61-A119 HydrophobicContact CB-CB 4.39Å; V64-A119 HydrophobicContact CB-CB 4.2Å; V64-A119 HydrophobicContact CG1-CB 3.94Å; F79-A119 HydrophobicContact CE1-CB 4.23Å; Q115-A119 WeakPolarHBondContact O-CB 3.26Å; Q115-A119 PolarHBondContact O-N 3.19Å; R117-A119 VanDerWaalsContact C-N 3.3Å; R117-A119 PolarHBondContact O-N 2.97Å; A119-Q123 VanDerWaalsContact O-CB 3.29Å; A119-Q123 WeakPolarHBondContact O-CB 3.47Å; A119-Q123 PolarHBondContact O-N 3.49Å
120	A	91.8	Very high	91.1	Very high	33 Å²	33	49.2 Å²	49.2	27%	0.273	26%	0.255	S	S	.	.	H	α-helix	trans	-66	-37.8	177.9	0	0	0	0	0	113.3	R116 R117 Q123 K124	R116-A120 WeakPolarHBondContact O-CB 3.39Å; R116-A120 PolarHBondContact O-N 3.34Å; R117-A120 PolarHBondContact O-N 3.1Å; A120-Q123 PolarHBondContact O-N 2.9Å; A120-K124 WeakPolarHBondContact O-CB 3.49Å; A120-K124 PolarHBondContact O-N 3.42Å
121	D	92.1	Very high	91.5	Very high	62 Å²	62	51.2 Å²	51.2	33%	0.332	27%	0.273	S	S	.	.	H	α-helix	trans	-71.5	-38.1	178.9	-67.2	-37.5	0	0	0	111.9	L98 R117 Y118 K124 F125	L98-D121 HydrophobicContact CD1-CB 3.64Å; R117-D121 WeakPolarHBondContact CG-OD2 3.25Å; R117-D121 PolarHBondContact O-N 3.47Å; Y118-D121 PolarHBondContact O-N 2.97Å; D121-K124 PolarHBondContact O-N 3.32Å; D121-F125 PolarHBondContact O-N 3.06Å; D121-F125 VanDerWaalsContact O-N 3.08Å
122	V	92.9	Very high	91.8	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-67.3	-43	170.8	174.7	0	0	0	0	111.1	L84 V92 M94 L98 Y118 K124 F125 Q126	L84-V122 HydrophobicContact CD2-CG1 4Å; L84-V122 HydrophobicContact CD2-CG2 4.2Å; V92-V122 HydrophobicContact CG2-CG1 4.35Å; M94-V122 HydrophobicContact CB-CG2 4.29Å; M94-V122 HydrophobicContact CE-CG2 3.79Å; L98-V122 HydrophobicContact CD1-CG2 4Å; Y118-V122 WeakPolarHBondContact O-CG2 3.43Å; Y118-V122 PolarHBondContact O-N 2.99Å; V122-K124 VanDerWaalsContact C-N 3.31Å; V122-K124 PolarHBondContact O-N 3.31Å; V122-F125 WeakPolarHBondContact O-CB 3.16Å; V122-F125 PolarHBondContact O-N 3.43Å; V122-F125 VanDerWaalsContact O-N 3.11Å; V122-Q126 PolarHBondContact O-N 2.96Å
123	Q	93.8	Very high	92.2	Very high	12 Å²	12	52.3 Å²	52.3	6%	0.056	27%	0.269	C	S	.	.	H	α-helix	trans	-54.8	-48.9	174.2	-177	179.3	63.9	0	0	110.7	Y58 A61 D62 A119 A120 F125 Q126 T127	Y58-Q123 HydrophobicContact CD2-CG 3.53Å; Y58-Q123 WeakPolarHBondContact CD2-O 3.48Å; Y58-Q123 HydrophobicContact CE2-CG 3.5Å; Y58-Q123 VanDerWaalsContact CE2-CG 3.5Å; Y58-Q123 HydrophobicContact CG-CG 4.11Å; Y58-Q123 PolarHBondContact O-NE2 3.46Å; Y58-Q123 VanDerWaalsContact O-NE2 3.08Å; A61-Q123 HydrophobicContact CB-CB 3.85Å; A61-Q123 HydrophobicContact CB-CG 4.46Å; D62-Q123 VanDerWaalsContact CB-NE2 3.25Å; D62-Q123 PolarHBondContact OD1-NE2 3.08Å; A119-Q123 VanDerWaalsContact O-CB 3.29Å; A119-Q123 WeakPolarHBondContact O-CB 3.47Å; A119-Q123 PolarHBondContact O-N 3.49Å; A120-Q123 PolarHBondContact O-N 2.9Å; Q123-F125 VanDerWaalsContact C-N 3.28Å; Q123-F125 PolarHBondContact O-N 3.05Å; Q123-Q126 PolarHBondContact O-N 2.92Å; Q123-Q126 VanDerWaalsContact O-N 3.15Å; Q123-T127 PolarHBondContact O-N 3.14Å; Q123-T127 VanDerWaalsContact O-N 3.11Å; Q123-T127 PolarHBondContact O-OG1 3.32Å; Q123-T127 VanDerWaalsContact O-OG1 3.12Å
124	K	93.4	Very high	92.6	Very high	160 Å²	160	47.6 Å²	47.6	70%	0.696	24%	0.244	S	C	*	.	H	α-helix	trans	-59.3	-36.7	177.4	-176.4	-179.7	177.8	-176.5	0	112.6	A120 D121 V122 T127	A120-K124 WeakPolarHBondContact O-CB 3.49Å; A120-K124 PolarHBondContact O-N 3.42Å; D121-K124 PolarHBondContact O-N 3.32Å; V122-K124 VanDerWaalsContact C-N 3.31Å; V122-K124 PolarHBondContact O-N 3.31Å; K124-T127 PolarHBondContact O-OG1 3.15Å
125	F	93.8	Very high	92.7	Very high	101 Å²	101	49.6 Å²	49.6	44%	0.443	25%	0.251	S	S	.	.	H	α-helix	trans	-69.1	-35.3	177.4	-164.5	-102.3	0	0	0	112.4	P95 D121 V122 Q123	P95-F125 HydrophobicContact CG-CB 4.25Å; P95-F125 HydrophobicContact CG-CD2 3.76Å; P95-F125 HydrophobicContact CG-CE2 4.31Å; P95-F125 HydrophobicContact CG-CG 4.07Å; D121-F125 PolarHBondContact O-N 3.06Å; D121-F125 VanDerWaalsContact O-N 3.08Å; V122-F125 WeakPolarHBondContact O-CB 3.16Å; V122-F125 PolarHBondContact O-N 3.43Å; V122-F125 VanDerWaalsContact O-N 3.11Å; Q123-F125 VanDerWaalsContact C-N 3.28Å; Q123-F125 PolarHBondContact O-N 3.05Å
126	Q	94.3	Very high	92.8	Very high	5 Å²	5	50.9 Å²	50.9	2%	0.023	26%	0.258	C	S	.	.	H	α-helix	trans	-82.1	-14.6	178.6	-63.5	-56.8	-34.5	0	0	114.3	S93 V122 Q123 A128 E129 V130	S93-Q126 PolarHBondContact O-NE2 3.19Å; S93-Q126 PolarHBondContact OG-NE2 3.43Å; S93-Q126 VanDerWaalsContact OG-NE2 3.08Å; V122-Q126 PolarHBondContact O-N 2.96Å; Q123-Q126 PolarHBondContact O-N 2.92Å; Q123-Q126 VanDerWaalsContact O-N 3.15Å; Q126-A128 VanDerWaalsContact C-N 3.26Å; Q126-A128 PolarHBondContact O-N 3.39Å; Q126-A128 VanDerWaalsContact O-N 3.13Å; Q126-E129 PolarHBondContact O-N 3.07Å; Q126-V130 PolarHBondContact O-N 2.9Å; Q126-V130 VanDerWaalsContact O-N 3.15Å
127	T	93.3	Very high	92.9	Very high	61 Å²	61	48.5 Å²	48.5	37%	0.374	25%	0.249	S	C	.	.	H	α-helix	trans	-50	-40.6	-178.6	-56.3	0	0	0	0	113.9	Q123 K124 V130 A131	Q123-T127 PolarHBondContact O-N 3.14Å; Q123-T127 VanDerWaalsContact O-N 3.11Å; Q123-T127 PolarHBondContact O-OG1 3.32Å; Q123-T127 VanDerWaalsContact O-OG1 3.12Å; K124-T127 PolarHBondContact O-OG1 3.15Å; T127-V130 PolarHBondContact O-N 3.46Å; T127-A131 WeakPolarHBondContact O-CB 3.27Å; T127-A131 PolarHBondContact O-N 3.42Å
128	A	92.1	Very high	92.8	Very high	74 Å²	74	44 Å²	44	61%	0.612	23%	0.232	S	C	*	.	H	α-helix	trans	-67	-40.7	-175.7	0	0	0	0	0	112.8	Q126 K132	Q126-A128 VanDerWaalsContact C-N 3.26Å; Q126-A128 PolarHBondContact O-N 3.39Å; Q126-A128 VanDerWaalsContact O-N 3.13Å; A128-K132 WeakPolarHBondContact O-CB 3.5Å; A128-K132 PolarHBondContact O-N 3.37Å; A128-K132 VanDerWaalsContact O-N 3.14Å
129	E	92.9	Very high	92.5	Very high	53 Å²	53	47.9 Å²	47.9	25%	0.248	25%	0.25	C	S	.	.	H	α-helix	trans	-71.8	-38.8	176.9	-176	57.4	-149.3	0	0	110.9	P54 Q126 A131 K132 Q133	P54-E129 HydrophobicContact CB-CB 4.34Å; P54-E129 HydrophobicContact CB-CG 3.95Å; P54-E129 HydrophobicContact CG-CG 4.12Å; Q126-E129 PolarHBondContact O-N 3.07Å; E129-A131 PolarHBondContact O-N 2.77Å; E129-K132 PolarHBondContact O-N 2.72Å; E129-K132 IonicContact OE1-NZ 2.9Å; E129-K132 PolarHBondContact OE1-NZ 2.89Å; E129-K132 IonicContact OE2-NZ 2.71Å; E129-K132 PolarHBondContact OE2-NZ 3.47Å; E129-Q133 VanDerWaalsContact O-CG 3.27Å; E129-Q133 WeakPolarHBondContact O-CG 3.47Å; E129-Q133 PolarHBondContact O-N 3.28Å; E129-Q133 PolarHBondContact OE1-NE2 3.41Å
130	V	95.3	Very high	92	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-40.3	175.3	173.4	0	0	0	0	112	I29 L55 Y58 Q126 T127 Q133 L134	I29-V130 HydrophobicContact CB-CG1 4.38Å; I29-V130 HydrophobicContact CD1-CG1 4.33Å; I29-V130 HydrophobicContact CG1-CG1 4.09Å; L55-V130 HydrophobicContact CB-CG2 4.44Å; L55-V130 HydrophobicContact CD1-CG1 3.97Å; L55-V130 HydrophobicContact CD1-CG2 4.22Å; Y58-V130 HydrophobicContact CD1-CG1 4.49Å; Y58-V130 HydrophobicContact CD2-CG2 4.24Å; Y58-V130 HydrophobicContact CG-CG2 3.97Å; Q126-V130 PolarHBondContact O-N 2.9Å; Q126-V130 VanDerWaalsContact O-N 3.15Å; T127-V130 PolarHBondContact O-N 3.46Å; V130-Q133 PolarHBondContact O-N 2.96Å; V130-L134 WeakPolarHBondContact O-CB 3.15Å; V130-L134 PolarHBondContact O-N 2.9Å
131	A	93.5	Very high	91.6	Very high	55 Å²	55	50 Å²	50	46%	0.455	25%	0.252	S	S	.	.	H	α-helix	trans	-63.3	-43.6	175.1	0	0	0	0	0	111.8	T127 E129 L134 E135	T127-A131 WeakPolarHBondContact O-CB 3.27Å; T127-A131 PolarHBondContact O-N 3.42Å; E129-A131 PolarHBondContact O-N 2.77Å; A131-L134 PolarHBondContact O-N 3.23Å; A131-E135 WeakPolarHBondContact O-CB 3.3Å; A131-E135 PolarHBondContact O-N 2.86Å
132	K	94.4	Very high	90.8	Very high	105 Å²	105	55.2 Å²	55.2	46%	0.457	28%	0.277	S	S	.	.	H	α-helix	trans	-61	-40.6	174.1	162.7	171	160	-94	0	112.8	A128 E129 D136	A128-K132 WeakPolarHBondContact O-CB 3.5Å; A128-K132 PolarHBondContact O-N 3.37Å; A128-K132 VanDerWaalsContact O-N 3.14Å; E129-K132 PolarHBondContact O-N 2.72Å; E129-K132 IonicContact OE1-NZ 2.9Å; E129-K132 PolarHBondContact OE1-NZ 2.89Å; E129-K132 IonicContact OE2-NZ 2.71Å; E129-K132 PolarHBondContact OE2-NZ 3.47Å; K132-D136 PolarHBondContact O-N 3.31Å; K132-D136 VanDerWaalsContact O-N 3.11Å
133	Q	94.9	Very high	90	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-66.1	-38.8	175.1	-72	175.1	4.9	0	0	112.1	F42 V46 F50 D51 E129 V130 F137	F42-Q133 HydrophobicContact CE2-CB 4.39Å; F42-Q133 HydrophobicContact CZ-CB 4.08Å; V46-Q133 HydrophobicContact CG2-CB 3.99Å; V46-Q133 HydrophobicContact CG2-CG 4.42Å; F50-Q133 HydrophobicContact CB-CG 4.3Å; F50-Q133 HydrophobicContact CD1-CG 3.86Å; F50-Q133 HydrophobicContact CD2-CG 3.99Å; F50-Q133 HydrophobicContact CE1-CG 4.13Å; F50-Q133 HydrophobicContact CE2-CG 4.26Å; F50-Q133 HydrophobicContact CG-CG 3.79Å; F50-Q133 HydrophobicContact CZ-CG 4.34Å; D51-Q133 PolarHBondContact O-NE2 3.13Å; E129-Q133 VanDerWaalsContact O-CG 3.27Å; E129-Q133 WeakPolarHBondContact O-CG 3.47Å; E129-Q133 PolarHBondContact O-N 3.28Å; E129-Q133 PolarHBondContact OE1-NE2 3.41Å; V130-Q133 PolarHBondContact O-N 2.96Å; Q133-F137 PolarHBondContact O-N 3.26Å
134	L	93.6	Very high	89.1	Confident	7 Å²	7	63.4 Å²	63.4	4%	0.037	34%	0.335	C	S	.	.	H	α-helix	trans	-73.8	-29	178	-174.8	58.5	0	0	0	113.4	F26 I29 L32 F42 V130 A131 R138	F26-L134 HydrophobicContact CD1-CD1 4.49Å; F26-L134 WeakPolarHBondContact O-CD1 3.35Å; F26-L134 WeakPolarHBondContact O-CD2 3.36Å; F26-L134 WeakPolarHBondContact O-CG 3.46Å; I29-L134 HydrophobicContact CB-CD2 4.44Å; L32-L134 HydrophobicContact CD1-CD1 3.62Å; F42-L134 HydrophobicContact CD2-CD1 4.19Å; F42-L134 HydrophobicContact CE1-CD1 4.4Å; F42-L134 HydrophobicContact CE2-CB 4.18Å; F42-L134 HydrophobicContact CE2-CD1 4.02Å; F42-L134 HydrophobicContact CG-CD1 4.48Å; F42-L134 HydrophobicContact CZ-CB 3.9Å; F42-L134 HydrophobicContact CZ-CD1 4.13Å; V130-L134 WeakPolarHBondContact O-CB 3.15Å; V130-L134 PolarHBondContact O-N 2.9Å; A131-L134 PolarHBondContact O-N 3.23Å; L134-R138 PolarHBondContact O-N 3.1Å; L134-R138 VanDerWaalsContact O-N 3.12Å; L134-R138 PolarHBondContact O-NE 2.84Å
135	E	91.6	Very high	88	Confident	78 Å²	78	60.9 Å²	60.9	36%	0.364	33%	0.327	S	S	.	.	H	α-helix	trans	-67.5	-50.5	170	-174.6	58.4	-136	0	0	111.2	A131 F137 R138 Q139	A131-E135 WeakPolarHBondContact O-CB 3.3Å; A131-E135 PolarHBondContact O-N 2.86Å; E135-F137 VanDerWaalsContact C-N 3.29Å; E135-F137 PolarHBondContact O-N 3.07Å; E135-R138 PolarHBondContact O-N 2.7Å; E135-R138 VanDerWaalsContact O-N 3.14Å; E135-R138 IonicContact OE2-CZ 3.36Å; E135-R138 IonicContact OE2-NH1 2.84Å; E135-R138 IonicContact OE2-NH2 2.68Å; E135-R138 PolarHBondContact OE2-NH2 2.97Å; E135-Q139 WeakPolarHBondContact O-CG 3.23Å; E135-Q139 PolarHBondContact O-N 2.91Å; E135-Q139 PolarHBondContact OE1-NE2 2.89Å
136	D	91.1	Very high	87.2	Confident	28 Å²	28	56.9 Å²	56.9	15%	0.15	31%	0.311	C	S	.	.	H	α-helix	trans	-56.3	-42.1	173.9	172.1	112.7	0	0	0	111.8	H45 F50 K132 Q139 K140	H45-D136 IonicContact CD2-OD2 3.28Å; H45-D136 IonicContact CE1-OD2 3.73Å; H45-D136 PolarHBondContact CE1-OD2 3.38Å; H45-D136 IonicContact NE2-OD2 3.32Å; H45-D136 PolarHBondContact NE2-OD2 2.81Å; F50-D136 HydrophobicContact CE2-CB 4.02Å; F50-D136 WeakPolarHBondContact CE2-OD2 3.38Å; F50-D136 HydrophobicContact CZ-CB 3.66Å; F50-D136 VanDerWaalsContact CZ-CG 3.49Å; K132-D136 PolarHBondContact O-N 3.31Å; K132-D136 VanDerWaalsContact O-N 3.11Å; D136-Q139 PolarHBondContact O-N 3.35Å; D136-K140 WeakPolarHBondContact O-CG 3.45Å; D136-K140 PolarHBondContact O-N 3.07Å; D136-K140 IonicContact OD1-NZ 2.7Å; D136-K140 PolarHBondContact OD1-NZ 3.43Å; D136-K140 IonicContact OD2-NZ 3.48Å; D136-K140 PolarHBondContact OD2-NZ 2.87Å
137	F	91.8	Very high	86.1	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-59.3	-48.9	174.5	-179.6	-87.3	0	0	0	112.6	F26 V41 F42 H45 Q133 E135 Q139 K140 R141 T146	F26-F137 AromaticContact CD1-CD1 3.54Å; F26-F137 HydrophobicContact CD1-CD1 3.54Å; F26-F137 AromaticContact CD1-CE1 3.15Å; F26-F137 HydrophobicContact CD1-CE1 3.15Å; F26-F137 HydrophobicContact CD1-CZ 4.01Å; F26-F137 HydrophobicContact CD2-CE1 4.4Å; F26-F137 AromaticContact CE1-CD1 3.93Å; F26-F137 HydrophobicContact CE1-CD1 3.93Å; F26-F137 AromaticContact CE1-CE1 3.15Å; F26-F137 HydrophobicContact CE1-CE1 3.15Å; F26-F137 AromaticContact CE1-CZ 3.51Å; F26-F137 HydrophobicContact CE1-CZ 3.51Å; F26-F137 HydrophobicContact CE2-CE1 4.38Å; F26-F137 HydrophobicContact CG-CD1 4.25Å; F26-F137 AromaticContact CG-CE1 3.84Å; F26-F137 HydrophobicContact CG-CE1 3.84Å; F26-F137 AromaticContact CZ-CE1 3.8Å; F26-F137 HydrophobicContact CZ-CE1 3.8Å; F26-F137 AromaticContact CZ-CZ 3.99Å; F26-F137 HydrophobicContact CZ-CZ 3.99Å; V41-F137 HydrophobicContact CG1-CE2 4.05Å; V41-F137 HydrophobicContact CG1-CZ 4.05Å; F42-F137 HydrophobicContact CD2-CB 3.72Å; F42-F137 HydrophobicContact CD2-CD1 4.45Å; F42-F137 AromaticContact CD2-CD2 3.86Å; F42-F137 HydrophobicContact CD2-CD2 3.86Å; F42-F137 AromaticContact CD2-CG 3.73Å; F42-F137 HydrophobicContact CD2-CG 3.73Å; F42-F137 HydrophobicContact CE2-CB 3.83Å; F42-F137 HydrophobicContact CE2-CG 4.36Å; H45-F137 HydrophobicContact CB-CD2 3.69Å; H45-F137 HydrophobicContact CB-CE2 4.04Å; H45-F137 AromaticContact CD2-CD2 3.81Å; H45-F137 AromaticContact CG-CD2 3.59Å; H45-F137 AromaticContact ND1-CD2 3.92Å; Q133-F137 PolarHBondContact O-N 3.26Å; E135-F137 VanDerWaalsContact C-N 3.29Å; E135-F137 PolarHBondContact O-N 3.07Å; F137-Q139 VanDerWaalsContact C-N 3.3Å; F137-Q139 PolarHBondContact O-N 2.71Å; F137-K140 PolarHBondContact O-N 3.15Å; F137-R141 HydrophobicContact CE1-CB 4.32Å; F137-R141 PolarHBondContact O-N 3.05Å; F137-T146 HydrophobicContact CE2-CG2 3.69Å; F137-T146 HydrophobicContact CZ-CG2 3.67Å
138	R	89.1	Confident	85.4	Confident	72 Å²	72	60.3 Å²	60.3	27%	0.272	33%	0.329	S	S	.	.	H	α-helix	trans	-62.5	-38.5	179.5	-80.5	-179.2	-71	148.3	13.2	111.8	F26 D27 L134 E135 R141 M142	F26-R138 HydrophobicContact CB-CG 3.92Å; F26-R138 VanDerWaalsContact O-CD 3.3Å; F26-R138 WeakPolarHBondContact O-CD 3.01Å; F26-R138 PolarHBondContact O-NE 2.93Å; D27-R138 IonicContact OD1-NH1 2.66Å; D27-R138 PolarHBondContact OD1-NH1 2.93Å; L134-R138 PolarHBondContact O-N 3.1Å; L134-R138 VanDerWaalsContact O-N 3.12Å; L134-R138 PolarHBondContact O-NE 2.84Å; E135-R138 PolarHBondContact O-N 2.7Å; E135-R138 VanDerWaalsContact O-N 3.14Å; E135-R138 IonicContact OE2-CZ 3.36Å; E135-R138 IonicContact OE2-NH1 2.84Å; E135-R138 IonicContact OE2-NH2 2.68Å; E135-R138 PolarHBondContact OE2-NH2 2.97Å; R138-R141 PolarHBondContact O-N 3.47Å; R138-M142 WeakPolarHBondContact O-CB 3.34Å; R138-M142 PolarHBondContact O-N 2.78Å
139	Q	84.2	Confident	85	Confident	95 Å²	95	59.1 Å²	59.1	44%	0.444	31%	0.31	S	S	.	.	H	α-helix	trans	-65	-43.5	174.5	-67.4	175.1	9.5	0	0	111.8	E135 D136 F137 M142 M143	E135-Q139 WeakPolarHBondContact O-CG 3.23Å; E135-Q139 PolarHBondContact O-N 2.91Å; E135-Q139 PolarHBondContact OE1-NE2 2.89Å; D136-Q139 PolarHBondContact O-N 3.35Å; F137-Q139 VanDerWaalsContact C-N 3.3Å; F137-Q139 PolarHBondContact O-N 2.71Å; Q139-M142 PolarHBondContact O-N 3.47Å; Q139-M143 HydrophobicContact CB-CE 4.24Å; Q139-M143 VanDerWaalsContact O-CE 3.25Å; Q139-M143 WeakPolarHBondContact O-CE 3.21Å; Q139-M143 WeakPolarHBondContact O-CG 3.4Å; Q139-M143 PolarHBondContact O-N 3.26Å; Q139-M143 VanDerWaalsContact O-N 3.09Å
140	K	83	Confident	84.4	Confident	34 Å²	34	63.2 Å²	63.2	15%	0.148	33%	0.329	C	S	.	.	H	α-helix	trans	-69.6	-30.8	175.5	-61	-145.3	-171.7	88.6	0	113.2	D136 F137 M143 G144 M145	D136-K140 WeakPolarHBondContact O-CG 3.45Å; D136-K140 PolarHBondContact O-N 3.07Å; D136-K140 IonicContact OD1-NZ 2.7Å; D136-K140 PolarHBondContact OD1-NZ 3.43Å; D136-K140 IonicContact OD2-NZ 3.48Å; D136-K140 PolarHBondContact OD2-NZ 2.87Å; F137-K140 PolarHBondContact O-N 3.15Å; K140-M143 PolarHBondContact O-N 3.35Å; K140-G144 PolarHBondContact O-N 3.31Å; K140-M145 HydrophobicContact CB-CB 4.29Å; K140-M145 HydrophobicContact CD-CE 4.41Å; K140-M145 HydrophobicContact CG-CE 4.44Å; K140-M145 PolarHBondContact O-N 3.03Å
141	R	82.8	Confident	83.9	Confident	45 Å²	45	64 Å²	64	17%	0.17	33%	0.333	C	S	.	.	H	α-helix	trans	-65.1	-46.7	170.6	-163.2	179.4	-171.4	-165.1	-1.6	110.9	C23 F26 F137 R138 M143 G144 T146 E149 E156	C23-R141 VanDerWaalsContact CB-NH1 3.28Å; C23-R141 PolarHBondContact SG-NH1 3.37Å; F26-R141 VanDerWaalsContact CE2-NH1 3.3Å; F137-R141 HydrophobicContact CE1-CB 4.32Å; F137-R141 PolarHBondContact O-N 3.05Å; R138-R141 PolarHBondContact O-N 3.47Å; R141-M143 PolarHBondContact O-N 2.65Å; R141-G144 PolarHBondContact O-N 2.71Å; R141-T146 WeakPolarHBondContact CA-OG1 3.45Å; R141-T146 PolarHBondContact N-OG1 3.36Å; R141-E149 IonicContact CZ-OE1 2.7Å; R141-E149 IonicContact NE-OE1 3.4Å; R141-E149 PolarHBondContact NE-OE1 2.91Å; R141-E149 IonicContact NE-OE2 3.46Å; R141-E149 PolarHBondContact NE-OE2 2.97Å; R141-E149 IonicContact NH2-OE1 3.51Å; R141-E149 PolarHBondContact NH2-OE1 3.26Å; R141-E156 IonicContact CZ-OE1 3.18Å; R141-E156 IonicContact CZ-OE2 2.84Å; R141-E156 IonicContact NH1-OE1 2.63Å; R141-E156 PolarHBondContact NH1-OE1 2.99Å; R141-E156 IonicContact NH1-OE2 2.64Å; R141-E156 IonicContact NH2-OE1 3.27Å; R141-E156 PolarHBondContact NH2-OE1 3.47Å; R141-E156 VanDerWaalsContact NH2-OE1 3.11Å; R141-E156 IonicContact NH2-OE2 2.7Å; R141-E156 PolarHBondContact NH2-OE2 3.48Å
142	M	74.8	Confident	83.5	Confident	170 Å²	170	61.3 Å²	61.3	84%	0.837	31%	0.311	S	S	*	.	H	α-helix	trans	-59.9	-32.3	176.5	-171.4	-179.1	-64.7	0	0	113.1	R138 Q139 G144	R138-M142 WeakPolarHBondContact O-CB 3.34Å; R138-M142 PolarHBondContact O-N 2.78Å; Q139-M142 PolarHBondContact O-N 3.47Å; M142-G144 VanDerWaalsContact C-N 3.33Å
143	M	75.7	Confident	83	Confident	116 Å²	116	60.6 Å²	60.6	57%	0.571	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	5.8	174.8	-67.7	-177.3	-80.3	0	0	114.3	Q139 K140 R141 M145	Q139-M143 HydrophobicContact CB-CE 4.24Å; Q139-M143 VanDerWaalsContact O-CE 3.25Å; Q139-M143 WeakPolarHBondContact O-CE 3.21Å; Q139-M143 WeakPolarHBondContact O-CG 3.4Å; Q139-M143 PolarHBondContact O-N 3.26Å; Q139-M143 VanDerWaalsContact O-N 3.09Å; K140-M143 PolarHBondContact O-N 3.35Å; R141-M143 PolarHBondContact O-N 2.65Å; M143-M145 HydrophobicContact CB-CE 3.77Å; M143-M145 HydrophobicContact CB-CG 4.25Å; M143-M145 HydrophobicContact CE-CE 3.62Å; M143-M145 HydrophobicContact CG-CE 4.36Å; M143-M145 PolarHBondContact O-N 3.27Å; M143-M145 HydrophobicContact SD-CE 3.71Å
144	G	75.7	Confident	82.5	Confident	70 Å²	70	63.9 Å²	63.9	72%	0.722	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	19.3	-179.1	0	0	0	0	0	114.8	K140 R141 M142	K140-G144 PolarHBondContact O-N 3.31Å; R141-G144 PolarHBondContact O-N 2.71Å; M142-G144 VanDerWaalsContact C-N 3.33Å
145	M	70.9	Confident	82.1	Confident	107 Å²	107	63.7 Å²	63.7	53%	0.527	33%	0.327	S	S	.	.			trans	-98.9	11.3	-176.7	-64.6	-165.2	-72.7	0	0	113.7	K140 M143	K140-M145 HydrophobicContact CB-CB 4.29Å; K140-M145 HydrophobicContact CD-CE 4.41Å; K140-M145 HydrophobicContact CG-CE 4.44Å; K140-M145 PolarHBondContact O-N 3.03Å; M143-M145 HydrophobicContact CB-CE 3.77Å; M143-M145 HydrophobicContact CB-CG 4.25Å; M143-M145 HydrophobicContact CE-CE 3.62Å; M143-M145 HydrophobicContact CG-CE 4.36Å; M143-M145 PolarHBondContact O-N 3.27Å; M143-M145 HydrophobicContact SD-CE 3.71Å
146	T	77.1	Confident	81.8	Confident	16 Å²	16	62.4 Å²	62.4	10%	0.098	32%	0.321	C	S	.	.			trans	-82.9	128.4	-179.6	-69.8	0	0	0	0	111.9	V41 F137 R141 E149	V41-T146 HydrophobicContact CG1-CG2 4.03Å; F137-T146 HydrophobicContact CE2-CG2 3.69Å; F137-T146 HydrophobicContact CZ-CG2 3.67Å; R141-T146 WeakPolarHBondContact CA-OG1 3.45Å; R141-T146 PolarHBondContact N-OG1 3.36Å; T146-E149 WeakPolarHBondContact CG2-OE2 3.37Å
147	L	71.1	Confident	81.4	Confident	110 Å²	110	65.8 Å²	65.8	58%	0.576	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	143.9	173.7	-67.1	169	0	0	0	110.9	V41 L48 E149	V41-L147 WeakPolarHBondContact CG1-O 3.1Å; L48-L147 HydrophobicContact CD1-CD1 3.47Å; L48-L147 VanDerWaalsContact CD1-CD1 3.47Å; L147-E149 VanDerWaalsContact C-N 3.27Å; L147-E149 PolarHBondContact O-N 2.9Å
148	C	78.6	Confident	81.1	Confident	29 Å²	29	67.4 Å²	67.4	20%	0.196	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	22	-178.4	-65.6	0	0	0	0	115.4	V41 E150 Q151 V152 L177	V41-C148 HydrophobicContact CG2-CB 4.04Å; C148-E150 VanDerWaalsContact C-N 3.28Å; C148-E150 PolarHBondContact O-N 2.98Å; C148-Q151 WeakPolarHBondContact O-CB 3.12Å; C148-Q151 PolarHBondContact O-N 3.31Å; C148-Q151 PolarHBondContact SG-OE1 3.48Å; C148-Q151 VanDerWaalsContact SG-OE1 3.39Å; C148-V152 PolarHBondContact O-N 3.11Å; C148-L177 HydrophobicContact CB-CD1 4.2Å
149	E	82.4	Confident	80.5	Confident	49 Å²	49	71.2 Å²	71.2	23%	0.229	36%	0.362	C	S	.	.	H	α-helix	trans	-51.1	-44	173.1	-168.1	65	-164.1	0	0	112.8	R141 T146 L147 Q151 V152 M153	R141-E149 IonicContact CZ-OE1 2.7Å; R141-E149 IonicContact NE-OE1 3.4Å; R141-E149 PolarHBondContact NE-OE1 2.91Å; R141-E149 IonicContact NE-OE2 3.46Å; R141-E149 PolarHBondContact NE-OE2 2.97Å; R141-E149 IonicContact NH2-OE1 3.51Å; R141-E149 PolarHBondContact NH2-OE1 3.26Å; T146-E149 WeakPolarHBondContact CG2-OE2 3.37Å; L147-E149 VanDerWaalsContact C-N 3.27Å; L147-E149 PolarHBondContact O-N 2.9Å; E149-Q151 PolarHBondContact O-N 3.24Å; E149-Q151 VanDerWaalsContact O-N 3.14Å; E149-V152 WeakPolarHBondContact O-CA 3.41Å; E149-V152 WeakPolarHBondContact O-CB 3.3Å; E149-V152 PolarHBondContact O-N 3.25Å; E149-M153 HydrophobicContact CG-SD 4.43Å; E149-M153 PolarHBondContact O-N 3.4Å
150	E	81	Confident	80	Confident	138 Å²	138	73 Å²	73	65%	0.645	38%	0.382	S	S	*	.	H	α-helix	trans	-46.8	-39.3	170.8	-176.3	-146	149.6	0	0	113.3	C148 D154	C148-E150 VanDerWaalsContact C-N 3.28Å; C148-E150 PolarHBondContact O-N 2.98Å; E150-D154 PolarHBondContact O-N 2.9Å; E150-D154 VanDerWaalsContact O-N 3.07Å
151	Q	85.1	Confident	79.7	Confident	18 Å²	18	77.6 Å²	77.6	8%	0.084	41%	0.413	C	S	.	.	H	α-helix	trans	-78.6	-22.1	178.3	-79.3	80.6	88.3	0	0	113.1	T37 C148 E149 V173	T37-Q151 WeakPolarHBondContact CG2-O 3.47Å; C148-Q151 WeakPolarHBondContact O-CB 3.12Å; C148-Q151 PolarHBondContact O-N 3.31Å; C148-Q151 PolarHBondContact SG-OE1 3.48Å; C148-Q151 VanDerWaalsContact SG-OE1 3.39Å; E149-Q151 PolarHBondContact O-N 3.24Å; E149-Q151 VanDerWaalsContact O-N 3.14Å; Q151-V173 HydrophobicContact CB-CG1 3.87Å; Q151-V173 HydrophobicContact CG-CG1 4.07Å
152	V	84.8	Confident	79.4	Confident	0 Å²	0	79 Å²	79	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-76.4	-48.6	170.4	-160.7	0	0	0	0	108.8	F26 V41 C148 E149 D154 V155 E156	F26-V152 HydrophobicContact CE2-CG1 4.18Å; F26-V152 HydrophobicContact CZ-CG1 4.34Å; V41-V152 HydrophobicContact CB-CG2 4.2Å; V41-V152 HydrophobicContact CG1-CG2 4.05Å; V41-V152 HydrophobicContact CG2-CG2 3.86Å; C148-V152 PolarHBondContact O-N 3.11Å; E149-V152 WeakPolarHBondContact O-CA 3.41Å; E149-V152 WeakPolarHBondContact O-CB 3.3Å; E149-V152 PolarHBondContact O-N 3.25Å; V152-D154 VanDerWaalsContact C-N 3.34Å; V152-D154 PolarHBondContact O-N 3.48Å; V152-V155 PolarHBondContact O-N 2.97Å; V152-E156 VanDerWaalsContact CG1-CD 3.49Å; V152-E156 HydrophobicContact CG1-CG 4.18Å; V152-E156 WeakPolarHBondContact CG1-OE1 3.36Å; V152-E156 WeakPolarHBondContact CG1-OE2 3.4Å; V152-E156 PolarHBondContact O-N 3.03Å
153	M	83.4	Confident	79.8	Confident	89 Å²	89	82.9 Å²	82.9	44%	0.438	43%	0.429	S	S	.	.	H	α-helix	trans	-56.7	-40.1	178.6	-69.3	-177.8	72.8	0	0	113.2	E149 V155 E156 N157	E149-M153 HydrophobicContact CG-SD 4.43Å; E149-M153 PolarHBondContact O-N 3.4Å; M153-V155 PolarHBondContact O-N 3.38Å; M153-E156 PolarHBondContact O-N 2.65Å; M153-N157 VanDerWaalsContact O-CB 3.24Å; M153-N157 WeakPolarHBondContact O-CB 3.39Å; M153-N157 VanDerWaalsContact O-CG 3.25Å; M153-N157 PolarHBondContact O-N 3.12Å; M153-N157 PolarHBondContact O-ND2 2.81Å
154	D	84.2	Confident	80.2	Confident	71 Å²	71	81 Å²	81	38%	0.38	42%	0.424	S	S	.	.	H	α-helix	trans	-55.2	-38.6	174.3	177.8	45.6	0	0	0	111.9	E150 V152 K169 V173	E150-D154 PolarHBondContact O-N 2.9Å; E150-D154 VanDerWaalsContact O-N 3.07Å; V152-D154 VanDerWaalsContact C-N 3.34Å; V152-D154 PolarHBondContact O-N 3.48Å; D154-K169 VanDerWaalsContact O-CE 3.26Å; D154-K169 WeakPolarHBondContact O-CE 3.27Å; D154-K169 PolarHBondContact O-NZ 2.97Å; D154-K169 WeakPolarHBondContact OD1-CE 3.42Å; D154-K169 IonicContact OD1-NZ 3.86Å; D154-K169 PolarHBondContact OD1-NZ 3.21Å; D154-K169 VanDerWaalsContact OD2-CE 3.25Å; D154-K169 WeakPolarHBondContact OD2-CE 3.47Å; D154-K169 IonicContact OD2-NZ 2.86Å; D154-V173 VanDerWaalsContact OD2-CG2 3.27Å; D154-V173 WeakPolarHBondContact OD2-CG2 3.37Å
155	V	85.7	Confident	80.8	Confident	2 Å²	2	81.1 Å²	81.1	1%	0.012	41%	0.412	C	S	.	.	H	α-helix	trans	-91.3	-21.4	-179.2	-157.7	0	0	0	0	113.4	T37 V152 M153 L166 K169 E170 V173	T37-V155 HydrophobicContact CG2-CG2 4.47Å; V152-V155 PolarHBondContact O-N 2.97Å; M153-V155 PolarHBondContact O-N 3.38Å; V155-L166 HydrophobicContact CG1-CD1 3.59Å; V155-K169 HydrophobicContact CG1-CB 4.4Å; V155-K169 HydrophobicContact CG1-CG 4.42Å; V155-E170 HydrophobicContact CG1-CB 3.94Å; V155-E170 WeakPolarHBondContact CG1-OE2 3.43Å; V155-V173 HydrophobicContact CG2-CB 3.87Å; V155-V173 HydrophobicContact CG2-CG1 4.21Å; V155-V173 HydrophobicContact CG2-CG2 3.67Å
156	E	85.1	Confident	81.4	Confident	52 Å²	52	79.1 Å²	79.1	24%	0.243	40%	0.403	C	S	.	.	H	α-helix	trans	-70.6	-40.5	169.1	-70.8	166.5	150.3	0	0	110.8	C23 H38 R141 V152 M153 H158	C23-E156 WeakPolarHBondContact CB-OE1 3.25Å; C23-E156 PolarHBondContact SG-OE1 2.89Å; H38-E156 IonicContact NE2-OE1 2.64Å; R141-E156 IonicContact CZ-OE1 3.18Å; R141-E156 IonicContact CZ-OE2 2.84Å; R141-E156 IonicContact NH1-OE1 2.63Å; R141-E156 PolarHBondContact NH1-OE1 2.99Å; R141-E156 IonicContact NH1-OE2 2.64Å; R141-E156 IonicContact NH2-OE1 3.27Å; R141-E156 PolarHBondContact NH2-OE1 3.47Å; R141-E156 VanDerWaalsContact NH2-OE1 3.11Å; R141-E156 IonicContact NH2-OE2 2.7Å; R141-E156 PolarHBondContact NH2-OE2 3.48Å; V152-E156 VanDerWaalsContact CG1-CD 3.49Å; V152-E156 HydrophobicContact CG1-CG 4.18Å; V152-E156 WeakPolarHBondContact CG1-OE1 3.36Å; V152-E156 WeakPolarHBondContact CG1-OE2 3.4Å; V152-E156 PolarHBondContact O-N 3.03Å; M153-E156 PolarHBondContact O-N 2.65Å; E156-H158 PolarHBondContact O-N 3.35Å
157	N	83.6	Confident	81.8	Confident	99 Å²	99	83.7 Å²	83.7	53%	0.529	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	26	178.6	-67.1	-24.2	0	0	0	114.7	M153	M153-N157 VanDerWaalsContact O-CB 3.24Å; M153-N157 WeakPolarHBondContact O-CB 3.39Å; M153-N157 VanDerWaalsContact O-CG 3.25Å; M153-N157 PolarHBondContact O-N 3.12Å; M153-N157 PolarHBondContact O-ND2 2.81Å
158	H	85.8	Confident	82.5	Confident	34 Å²	34	84.3 Å²	84.3	16%	0.157	43%	0.429	C	S	.	.			trans	-92.6	121.6	-176.8	171.2	67	0	0	0	112.5	E156 D162 V164 L166 K169	E156-H158 PolarHBondContact O-N 3.35Å; H158-D162 VanDerWaalsContact CE1-CB 3.41Å; H158-D162 WeakPolarHBondContact CE1-CB 3.29Å; H158-D162 IonicContact CE1-OD2 3.5Å; H158-D162 PolarHBondContact CE1-OD2 3.42Å; H158-D162 IonicContact CG-OD2 2.76Å; H158-D162 IonicContact ND1-OD2 3.23Å; H158-D162 PolarHBondContact ND1-OD2 3.2Å; H158-V164 PolarHBondContact CE1-O 2.95Å; H158-L166 HydrophobicContact CB-CD1 4.08Å; H158-L166 VanDerWaalsContact CD2-CB 3.47Å; H158-L166 WeakPolarHBondContact CD2-CB 3.46Å; H158-L166 WeakPolarHBondContact NE2-CA 3.4Å; H158-L166 PolarHBondContact NE2-N 3.08Å; H158-L166 VanDerWaalsContact NE2-N 3.13Å; H158-K169 HydrophobicContact CB-CD 4.18Å
159	Y	75.4	Confident	83	Confident	151 Å²	151	84.9 Å²	84.9	59%	0.592	43%	0.428	S	S	*	.			trans	-92	143.2	-177.9	-70.3	-86.2	0	0	0	112.5	T161 D162	Y159-T161 PolarHBondContact O-N 2.81Å; Y159-D162 VanDerWaalsContact O-CB 3.3Å; Y159-D162 WeakPolarHBondContact O-CB 3.48Å; Y159-D162 PolarHBondContact O-N 3.3Å
160	P	73.8	Confident	83.4	Confident	134 Å²	134	82.8 Å²	82.8	87%	0.87	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-10.1	177	-26.1	35.3	0	0	0	116
161	T	76	Confident	83.9	Confident	129 Å²	129	79 Å²	79	79%	0.791	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-8.1	176	44	0	0	0	0	113.8	Y159	Y159-T161 PolarHBondContact O-N 2.81Å
162	D	78.4	Confident	84.1	Confident	76 Å²	76	80.5 Å²	80.5	41%	0.406	41%	0.412	S	S	.	.	S	Bend	trans	-65.3	150.2	-178.6	-87.3	-16.6	0	0	0	113.2	H158 Y159 V164	H158-D162 VanDerWaalsContact CE1-CB 3.41Å; H158-D162 WeakPolarHBondContact CE1-CB 3.29Å; H158-D162 IonicContact CE1-OD2 3.5Å; H158-D162 PolarHBondContact CE1-OD2 3.42Å; H158-D162 IonicContact CG-OD2 2.76Å; H158-D162 IonicContact ND1-OD2 3.23Å; H158-D162 PolarHBondContact ND1-OD2 3.2Å; Y159-D162 VanDerWaalsContact O-CB 3.3Å; Y159-D162 WeakPolarHBondContact O-CB 3.48Å; Y159-D162 PolarHBondContact O-N 3.3Å; D162-V164 VanDerWaalsContact C-N 3.25Å; D162-V164 PolarHBondContact O-N 3.02Å
163	R	81.7	Confident	84.3	Confident	250 Å²	250	81 Å²	81	94%	0.943	42%	0.415	S	S	*	.	S	Bend	trans	-74.6	-8.9	-178.5	-63.3	-177.7	-179.9	175.8	1.9	114.8
164	V	83.8	Confident	84.7	Confident	76 Å²	76	76.8 Å²	76.8	46%	0.461	39%	0.394	S	S	.	.	S	Bend	trans	-126.2	116.9	-176.1	177.6	0	0	0	0	107.6	H158 D162 M168	H158-V164 PolarHBondContact CE1-O 2.95Å; D162-V164 VanDerWaalsContact C-N 3.25Å; D162-V164 PolarHBondContact O-N 3.02Å; V164-M168 HydrophobicContact CG1-CB 3.79Å
165	P	88.1	Confident	85.1	Confident	73 Å²	73	73.9 Å²	73.9	47%	0.474	38%	0.378	S	S	.	.			trans	-58.1	147.4	-177.8	-25.7	34.2	0	0	0	113.4	D167 M168 K169	P165-D167 VanDerWaalsContact C-N 3.28Å; P165-D167 PolarHBondContact O-N 3.07Å; P165-D167 VanDerWaalsContact O-N 3.15Å; P165-M168 HydrophobicContact CB-CG 4.49Å; P165-M168 HydrophobicContact CG-SD 4.44Å; P165-M168 WeakPolarHBondContact O-CA 3.3Å; P165-M168 WeakPolarHBondContact O-CB 3.48Å; P165-M168 PolarHBondContact O-N 2.85Å; P165-K169 PolarHBondContact O-N 2.92Å
166	L	84.8	Confident	85.2	Confident	65 Å²	65	77.3 Å²	77.3	34%	0.34	40%	0.396	S	S	.	.	H	α-helix	trans	-44.3	-48.9	178.9	-178.5	56.1	0	0	0	113.3	V155 H158 M168 K169 E170	V155-L166 HydrophobicContact CG1-CD1 3.59Å; H158-L166 HydrophobicContact CB-CD1 4.08Å; H158-L166 VanDerWaalsContact CD2-CB 3.47Å; H158-L166 WeakPolarHBondContact CD2-CB 3.46Å; H158-L166 WeakPolarHBondContact NE2-CA 3.4Å; H158-L166 PolarHBondContact NE2-N 3.08Å; H158-L166 VanDerWaalsContact NE2-N 3.13Å; L166-M168 PolarHBondContact O-N 3.22Å; L166-K169 PolarHBondContact O-N 3.39Å; L166-K169 VanDerWaalsContact O-N 3.07Å; L166-E170 WeakPolarHBondContact O-CB 3.44Å; L166-E170 PolarHBondContact O-N 3.48Å
167	D	84.8	Confident	85.5	Confident	113 Å²	113	74.9 Å²	74.9	60%	0.604	39%	0.385	S	S	*	.	H	α-helix	trans	-61.9	-30.4	179.9	-62	-38	0	0	0	113.2	P165 K171	P165-D167 VanDerWaalsContact C-N 3.28Å; P165-D167 PolarHBondContact O-N 3.07Å; P165-D167 VanDerWaalsContact O-N 3.15Å; D167-K171 VanDerWaalsContact O-CB 3.3Å; D167-K171 WeakPolarHBondContact O-CB 3.35Å; D167-K171 WeakPolarHBondContact O-CD 3.5Å; D167-K171 VanDerWaalsContact O-CG 3.24Å; D167-K171 WeakPolarHBondContact O-CG 3.2Å; D167-K171 PolarHBondContact O-N 3.44Å; D167-K171 VanDerWaalsContact O-N 3.12Å
168	M	87.1	Confident	85.8	Confident	123 Å²	123	70.3 Å²	70.3	61%	0.606	36%	0.361	S	S	*	.	H	α-helix	trans	-79.7	-35.1	174.3	-63.1	-167	-176.9	0	0	111.7	V164 P165 L166 S172	V164-M168 HydrophobicContact CG1-CB 3.79Å; P165-M168 HydrophobicContact CB-CG 4.49Å; P165-M168 HydrophobicContact CG-SD 4.44Å; P165-M168 WeakPolarHBondContact O-CA 3.3Å; P165-M168 WeakPolarHBondContact O-CB 3.48Å; P165-M168 PolarHBondContact O-N 2.85Å; L166-M168 PolarHBondContact O-N 3.22Å; M168-S172 WeakPolarHBondContact O-CB 3.41Å; M168-S172 PolarHBondContact O-N 2.66Å
169	K	88.3	Confident	85.8	Confident	41 Å²	41	72 Å²	72	18%	0.178	37%	0.369	C	S	.	.	H	α-helix	trans	-65.2	-52.5	173.7	-163.6	178.1	-172.8	-174.9	0	110.5	D154 V155 H158 P165 L166 K171 S172 V173	D154-K169 VanDerWaalsContact O-CE 3.26Å; D154-K169 WeakPolarHBondContact O-CE 3.27Å; D154-K169 PolarHBondContact O-NZ 2.97Å; D154-K169 WeakPolarHBondContact OD1-CE 3.42Å; D154-K169 IonicContact OD1-NZ 3.86Å; D154-K169 PolarHBondContact OD1-NZ 3.21Å; D154-K169 VanDerWaalsContact OD2-CE 3.25Å; D154-K169 WeakPolarHBondContact OD2-CE 3.47Å; D154-K169 IonicContact OD2-NZ 2.86Å; V155-K169 HydrophobicContact CG1-CB 4.4Å; V155-K169 HydrophobicContact CG1-CG 4.42Å; H158-K169 HydrophobicContact CB-CD 4.18Å; P165-K169 PolarHBondContact O-N 2.92Å; L166-K169 PolarHBondContact O-N 3.39Å; L166-K169 VanDerWaalsContact O-N 3.07Å; K169-K171 PolarHBondContact O-N 3.44Å; K169-S172 PolarHBondContact O-N 2.65Å; K169-V173 WeakPolarHBondContact O-CG2 3.46Å; K169-V173 PolarHBondContact O-N 3.18Å
170	E	90.3	Very high	86.3	Confident	4 Å²	4	69.9 Å²	69.9	2%	0.019	36%	0.362	C	S	.	.	H	α-helix	trans	-52.9	-52.9	174.2	-174.3	78.1	-168.3	0	0	111.3	R35 P36 T37 H38 V155 L166 S172 V173 A174	R35-E170 WeakPolarHBondContact CA-OE1 3.3Å; R35-E170 WeakPolarHBondContact CB-OE1 3.46Å; R35-E170 IonicContact CZ-OE2 3.95Å; R35-E170 VanDerWaalsContact CZ-OE2 3.27Å; R35-E170 VanDerWaalsContact NH1-CD 3.28Å; R35-E170 IonicContact NH1-OE1 3.37Å; R35-E170 IonicContact NH1-OE2 2.74Å; R35-E170 PolarHBondContact NH1-OE2 3.2Å; R35-E170 IonicContact NH2-OE2 3.85Å; P36-E170 HydrophobicContact CG-CG 3.85Å; T37-E170 WeakPolarHBondContact CA-OE1 3.49Å; T37-E170 VanDerWaalsContact CB-OE1 3.23Å; T37-E170 WeakPolarHBondContact CB-OE1 3.38Å; T37-E170 PolarHBondContact N-OE1 3.3Å; T37-E170 PolarHBondContact OG1-O 3Å; H38-E170 IonicContact CE1-OE1 3.29Å; H38-E170 IonicContact CE1-OE2 2.72Å; H38-E170 PolarHBondContact CE1-OE2 3.01Å; H38-E170 VanDerWaalsContact CE1-OE2 3.28Å; H38-E170 IonicContact CG-OE1 3.93Å; H38-E170 PolarHBondContact N-OE1 2.99Å; H38-E170 IonicContact ND1-OE1 2.76Å; H38-E170 PolarHBondContact ND1-OE1 3.13Å; H38-E170 IonicContact ND1-OE2 3.55Å; H38-E170 PolarHBondContact ND1-OE2 2.82Å; V155-E170 HydrophobicContact CG1-CB 3.94Å; V155-E170 WeakPolarHBondContact CG1-OE2 3.43Å; L166-E170 WeakPolarHBondContact O-CB 3.44Å; L166-E170 PolarHBondContact O-N 3.48Å; E170-S172 VanDerWaalsContact C-N 3.32Å; E170-S172 PolarHBondContact O-N 3.39Å; E170-V173 PolarHBondContact O-N 2.86Å; E170-A174 WeakPolarHBondContact O-CB 3.45Å; E170-A174 PolarHBondContact O-N 2.9Å
171	K	91.2	Very high	86.7	Confident	59 Å²	59	63.8 Å²	63.8	26%	0.257	32%	0.323	S	S	.	.	H	α-helix	trans	-62.3	-36.6	177.1	-74.2	172.5	-177.3	171.4	0	112.5	P36 D167 K169 E175 L209 E210 V211	P36-K171 HydrophobicContact CG-CG 4.14Å; D167-K171 VanDerWaalsContact O-CB 3.3Å; D167-K171 WeakPolarHBondContact O-CB 3.35Å; D167-K171 WeakPolarHBondContact O-CD 3.5Å; D167-K171 VanDerWaalsContact O-CG 3.24Å; D167-K171 WeakPolarHBondContact O-CG 3.2Å; D167-K171 PolarHBondContact O-N 3.44Å; D167-K171 VanDerWaalsContact O-N 3.12Å; K169-K171 PolarHBondContact O-N 3.44Å; K171-E175 WeakPolarHBondContact O-CG 3.5Å; K171-E175 PolarHBondContact O-N 3.29Å; K171-L209 WeakPolarHBondContact CE-O 3.21Å; K171-E210 HydrophobicContact CD-CB 4.46Å; K171-E210 IonicContact NZ-OE2 3.83Å; K171-E210 PolarHBondContact NZ-OE2 3.11Å; K171-V211 HydrophobicContact CG-CG2 4.49Å
172	S	89.4	Confident	86.9	Confident	49 Å²	49	59.2 Å²	59.2	34%	0.343	29%	0.292	S	S	.	.	H	α-helix	trans	-72.5	-35.3	179.5	-168.3	0	0	0	0	113.4	M168 K169 E170 E175 N176	M168-S172 WeakPolarHBondContact O-CB 3.41Å; M168-S172 PolarHBondContact O-N 2.66Å; K169-S172 PolarHBondContact O-N 2.65Å; E170-S172 VanDerWaalsContact C-N 3.32Å; E170-S172 PolarHBondContact O-N 3.39Å; S172-E175 PolarHBondContact O-N 2.95Å; S172-N176 PolarHBondContact O-N 2.78Å; S172-N176 PolarHBondContact O-ND2 2.69Å
173	V	90.1	Very high	86.8	Confident	12 Å²	12	61.3 Å²	61.3	7%	0.073	30%	0.303	C	S	.	.	H	α-helix	trans	-71.4	-40	174.5	177.8	0	0	0	0	110	T37 Q151 D154 V155 K169 E170 E175 N176 L177	T37-V173 HydrophobicContact CG2-CB 4.36Å; T37-V173 HydrophobicContact CG2-CG1 3.72Å; Q151-V173 HydrophobicContact CB-CG1 3.87Å; Q151-V173 HydrophobicContact CG-CG1 4.07Å; D154-V173 VanDerWaalsContact OD2-CG2 3.27Å; D154-V173 WeakPolarHBondContact OD2-CG2 3.37Å; V155-V173 HydrophobicContact CG2-CB 3.87Å; V155-V173 HydrophobicContact CG2-CG1 4.21Å; V155-V173 HydrophobicContact CG2-CG2 3.67Å; K169-V173 WeakPolarHBondContact O-CG2 3.46Å; K169-V173 PolarHBondContact O-N 3.18Å; E170-V173 PolarHBondContact O-N 2.86Å; V173-E175 PolarHBondContact O-N 3.24Å; V173-N176 PolarHBondContact O-N 2.91Å; V173-L177 WeakPolarHBondContact O-CB 3.44Å; V173-L177 PolarHBondContact O-N 2.65Å
174	A	91.1	Very high	86.2	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.7	-38	170.8	0	0	0	0	0	113.1	P36 T37 L40 E170 L178 V211	P36-A174 HydrophobicContact CB-CB 3.96Å; T37-A174 PolarHBondContact OG1-N 3.08Å; L40-A174 WeakPolarHBondContact CD2-O 3.16Å; E170-A174 WeakPolarHBondContact O-CB 3.45Å; E170-A174 PolarHBondContact O-N 2.9Å; A174-L178 WeakPolarHBondContact O-CB 3.41Å; A174-L178 PolarHBondContact O-N 2.87Å; A174-V211 HydrophobicContact CB-CG1 3.92Å; A174-V211 HydrophobicContact CB-CG2 3.93Å
175	E	91.8	Very high	85	Confident	9 Å²	9	50.5 Å²	50.5	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-58.4	-47.3	172.4	-79.2	-172.7	-158.8	0	0	111.1	K171 S172 V173 E179 V211 K212 R214	K171-E175 WeakPolarHBondContact O-CG 3.5Å; K171-E175 PolarHBondContact O-N 3.29Å; S172-E175 PolarHBondContact O-N 2.95Å; V173-E175 PolarHBondContact O-N 3.24Å; E175-E179 PolarHBondContact O-N 3.41Å; E175-V211 HydrophobicContact CB-CG1 4.29Å; E175-V211 HydrophobicContact CG-CG1 3.69Å; E175-K212 HydrophobicContact CG-CB 4.25Å; E175-K212 WeakPolarHBondContact CG-O 3.19Å; E175-K212 VanDerWaalsContact OE1-CB 3.31Å; E175-K212 WeakPolarHBondContact OE1-CB 3.39Å; E175-K212 VanDerWaalsContact OE1-CG 3.24Å; E175-K212 WeakPolarHBondContact OE1-CG 3.22Å; E175-K212 PolarHBondContact OE1-N 3.26Å; E175-K212 IonicContact OE1-NZ 3.76Å; E175-K212 PolarHBondContact OE1-NZ 3.31Å; E175-R214 IonicContact OE2-CZ 2.66Å; E175-R214 IonicContact OE2-NE 3.54Å; E175-R214 PolarHBondContact OE2-NE 2.7Å; E175-R214 IonicContact OE2-NH2 3.24Å; E175-R214 PolarHBondContact OE2-NH2 3.46Å
176	N	89.7	Confident	83.2	Confident	74 Å²	74	54.5 Å²	54.5	40%	0.396	28%	0.281	S	S	.	.	H	α-helix	trans	-68	-43.2	-179.8	-68.2	-22	0	0	0	112.6	S172 V173 E179 K180	S172-N176 PolarHBondContact O-N 2.78Å; S172-N176 PolarHBondContact O-ND2 2.69Å; V173-N176 PolarHBondContact O-N 2.91Å; N176-E179 PolarHBondContact O-N 2.67Å; N176-K180 PolarHBondContact O-N 2.91Å
177	L	89.5	Confident	81.8	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-66.4	-38.7	179.1	-179.7	61.9	0	0	0	111.3	L40 V41 C148 V173 E179 K180 M181	L40-L177 HydrophobicContact CB-CD2 4.03Å; L40-L177 HydrophobicContact CD2-CB 3.88Å; L40-L177 HydrophobicContact CD2-CD2 3.91Å; L40-L177 HydrophobicContact CD2-CG 3.79Å; L40-L177 HydrophobicContact CG-CD2 3.74Å; L40-L177 HydrophobicContact CG-CG 3.96Å; V41-L177 HydrophobicContact CG2-CD2 3.52Å; C148-L177 HydrophobicContact CB-CD1 4.2Å; V173-L177 WeakPolarHBondContact O-CB 3.44Å; V173-L177 PolarHBondContact O-N 2.65Å; L177-E179 VanDerWaalsContact C-N 3.3Å; L177-E179 PolarHBondContact O-N 2.92Å; L177-K180 PolarHBondContact O-N 3Å; L177-M181 WeakPolarHBondContact O-CB 3.42Å; L177-M181 PolarHBondContact O-N 2.95Å
178	L	90	Very high	80.4	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.016	28%	0.282	C	S	.	.	H	α-helix	trans	-64.4	-35.8	175.4	-175.4	61	0	0	0	111.6	L40 A174 M181 F182 V202 M206 V211 N213	L40-L178 HydrophobicContact CD1-CD1 4.46Å; L40-L178 HydrophobicContact CD2-CB 3.86Å; A174-L178 WeakPolarHBondContact O-CB 3.41Å; A174-L178 PolarHBondContact O-N 2.87Å; L178-M181 HydrophobicContact CD1-CE 4.25Å; L178-F182 WeakPolarHBondContact O-CB 3.27Å; L178-F182 PolarHBondContact O-N 3.3Å; L178-V202 HydrophobicContact CD1-CG1 4.12Å; L178-M206 HydrophobicContact CD2-CB 4Å; L178-M206 HydrophobicContact CD2-CG 4.48Å; L178-V211 HydrophobicContact CD2-CG1 4.45Å; L178-N213 HydrophobicContact CD2-CB 4.2Å
179	E	86.9	Confident	79.1	Confident	70 Å²	70	50.6 Å²	50.6	33%	0.327	27%	0.265	S	S	.	.	H	α-helix	trans	-69.8	-45.1	173.9	-172	155.9	-137.1	0	0	111.9	E175 N176 L177 M181 F182 D183	E175-E179 PolarHBondContact O-N 3.41Å; N176-E179 PolarHBondContact O-N 2.67Å; L177-E179 VanDerWaalsContact C-N 3.3Å; L177-E179 PolarHBondContact O-N 2.92Å; E179-M181 VanDerWaalsContact C-N 3.31Å; E179-M181 PolarHBondContact O-N 3.26Å; E179-F182 PolarHBondContact O-N 3.01Å; E179-D183 PolarHBondContact O-N 2.88Å
180	K	84.6	Confident	77.7	Confident	106 Å²	106	54.7 Å²	54.7	46%	0.461	30%	0.296	S	S	.	.	H	α-helix	trans	-54.3	-45.9	171.5	-73.4	-176.5	-177.3	-176	0	111.5	N176 L177 S184	N176-K180 PolarHBondContact O-N 2.91Å; L177-K180 PolarHBondContact O-N 3Å; K180-S184 WeakPolarHBondContact O-CB 3.42Å; K180-S184 PolarHBondContact O-N 2.67Å; K180-S184 PolarHBondContact O-OG 2.92Å
181	M	83.6	Confident	77	Confident	7 Å²	7	58.2 Å²	58.2	3%	0.034	31%	0.314	C	S	.	.	H	α-helix	trans	-66.9	-40.3	-179	-153.7	-177	65.4	0	0	111.2	L40 Q44 I47 L177 L178 E179 S184 F199 V202	L40-M181 HydrophobicContact CD1-CE 4.07Å; L40-M181 HydrophobicContact CD1-SD 4.2Å; Q44-M181 HydrophobicContact CB-SD 4.19Å; Q44-M181 HydrophobicContact CG-SD 4.38Å; I47-M181 HydrophobicContact CD1-CE 4.46Å; I47-M181 HydrophobicContact CD1-SD 4.34Å; L177-M181 WeakPolarHBondContact O-CB 3.42Å; L177-M181 PolarHBondContact O-N 2.95Å; L178-M181 HydrophobicContact CD1-CE 4.25Å; E179-M181 VanDerWaalsContact C-N 3.31Å; E179-M181 PolarHBondContact O-N 3.26Å; M181-S184 PolarHBondContact O-N 3.18Å; M181-F199 HydrophobicContact CB-CE1 4.24Å; M181-F199 HydrophobicContact CE-CD1 3.96Å; M181-F199 HydrophobicContact CE-CE1 3.67Å; M181-F199 HydrophobicContact CG-CE1 3.81Å; M181-F199 HydrophobicContact CG-CZ 4.27Å; M181-F199 WeakPolarHBondContact O-CE1 3.22Å; M181-F199 VanDerWaalsContact O-CZ 3.25Å; M181-F199 WeakPolarHBondContact O-CZ 3.11Å; M181-F199 HydrophobicContact SD-CE1 4.43Å; M181-V202 HydrophobicContact CE-CB 4.33Å; M181-V202 HydrophobicContact CE-CG1 3.86Å; M181-V202 HydrophobicContact CE-CG2 4.43Å
182	F	79.6	Confident	76.4	Confident	32 Å²	32	62.5 Å²	62.5	14%	0.14	34%	0.335	C	S	.	.	H	α-helix	trans	-68	-40.1	179.3	-160.8	-77.1	0	0	0	113.1	L178 E179 S184 Q185 A215	L178-F182 WeakPolarHBondContact O-CB 3.27Å; L178-F182 PolarHBondContact O-N 3.3Å; E179-F182 PolarHBondContact O-N 3.01Å; F182-S184 PolarHBondContact O-N 3.31Å; F182-Q185 VanDerWaalsContact CD2-NE2 3.31Å; F182-Q185 VanDerWaalsContact CE1-NE2 3.3Å; F182-Q185 VanDerWaalsContact O-CB 3.31Å; F182-Q185 WeakPolarHBondContact O-CB 3.06Å; F182-Q185 WeakPolarHBondContact O-CG 3.26Å; F182-Q185 PolarHBondContact O-N 3.41Å; F182-Q185 PolarHBondContact O-OE1 2.96Å; F182-A215 HydrophobicContact CD1-CB 4.15Å; F182-A215 HydrophobicContact CG-CB 4.31Å
183	D	76.5	Confident	76.1	Confident	121 Å²	121	65.8 Å²	65.8	65%	0.647	35%	0.349	S	S	*	.	H	α-helix	trans	-73.9	-13.1	176.2	-95.6	8.7	0	0	0	112.7	E179 Q185 K219	E179-D183 PolarHBondContact O-N 2.88Å; D183-Q185 VanDerWaalsContact C-N 3.33Å; D183-Q185 PolarHBondContact O-N 3.38Å; D183-K219 IonicContact OD1-NZ 3.26Å; D183-K219 PolarHBondContact OD1-NZ 3.5Å
184	S	68.2	Low	75.9	Confident	51 Å²	51	67.9 Å²	67.9	36%	0.357	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	10.4	176.5	-56.8	0	0	0	0	114.5	K180 M181 F182 L186 T187 F188	K180-S184 WeakPolarHBondContact O-CB 3.42Å; K180-S184 PolarHBondContact O-N 2.67Å; K180-S184 PolarHBondContact O-OG 2.92Å; M181-S184 PolarHBondContact O-N 3.18Å; F182-S184 PolarHBondContact O-N 3.31Å; S184-L186 PolarHBondContact O-N 3.41Å; S184-T187 PolarHBondContact O-OG1 3.27Å; S184-F188 VanDerWaalsContact O-CE2 3.28Å; S184-F188 WeakPolarHBondContact O-CE2 3.25Å
185	Q	60.1	Low	75.6	Confident	47 Å²	47	68.3 Å²	68.3	22%	0.22	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-7.8	-166.6	-104.9	165.2	5.6	0	0	119.6	F182 D183 C195 F199	F182-Q185 VanDerWaalsContact CD2-NE2 3.31Å; F182-Q185 VanDerWaalsContact CE1-NE2 3.3Å; F182-Q185 VanDerWaalsContact O-CB 3.31Å; F182-Q185 WeakPolarHBondContact O-CB 3.06Å; F182-Q185 WeakPolarHBondContact O-CG 3.26Å; F182-Q185 PolarHBondContact O-N 3.41Å; F182-Q185 PolarHBondContact O-OE1 2.96Å; D183-Q185 VanDerWaalsContact C-N 3.33Å; D183-Q185 PolarHBondContact O-N 3.38Å; Q185-C195 PolarHBondContact O-SG 2.97Å; Q185-F199 HydrophobicContact CB-CE2 4.37Å; Q185-F199 HydrophobicContact CG-CD1 4.47Å; Q185-F199 HydrophobicContact CG-CD2 3.64Å; Q185-F199 HydrophobicContact CG-CE1 4.29Å; Q185-F199 HydrophobicContact CG-CE2 3.46Å; Q185-F199 VanDerWaalsContact CG-CE2 3.46Å; Q185-F199 HydrophobicContact CG-CG 4.17Å; Q185-F199 HydrophobicContact CG-CZ 3.82Å
186	L	50.3	Low	75.4	Confident	158 Å²	158	72.1 Å²	72.1	83%	0.827	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	15.8	-169	-66.8	172.3	0	0	0	114.2	S184	S184-L186 PolarHBondContact O-N 3.41Å
187	T	54.1	Low	75.4	Confident	110 Å²	110	69.6 Å²	69.6	68%	0.675	37%	0.367	S	S	*	.	S	Bend	trans	-120.6	-14.5	-167.3	-19.8	0	0	0	0	115	S184	S184-T187 PolarHBondContact O-OG1 3.27Å
188	F	56.9	Low	75.5	Confident	69 Å²	69	69.7 Å²	69.7	30%	0.303	37%	0.368	S	S	.	.	S	Bend	trans	-113.9	-33.1	-161.6	-47.7	-51	0	0	0	115.2	L48 S184 F199	L48-F188 HydrophobicContact CD2-CB 4.45Å; L48-F188 HydrophobicContact CD2-CD1 3.31Å; L48-F188 HydrophobicContact CD2-CE1 3.69Å; L48-F188 HydrophobicContact CD2-CG 4.02Å; S184-F188 VanDerWaalsContact O-CE2 3.28Å; S184-F188 WeakPolarHBondContact O-CE2 3.25Å; F188-F199 HydrophobicContact CD2-CZ 4.41Å
189	V	59	Low	75.5	Confident	40 Å²	40	69.8 Å²	69.8	24%	0.242	37%	0.368	C	S	.	.			trans	-132.9	128.4	-178.1	-177.2	0	0	0	0	108.6	D191 K194 C195	V189-D191 HydrophobicContact CG1-CB 4.21Å; V189-D191 PolarHBondContact O-N 3.49Å; V189-K194 HydrophobicContact CG1-CB 4.25Å; V189-K194 HydrophobicContact CG1-CG 4.43Å; V189-C195 HydrophobicContact CB-CB 4.09Å
190	P	58.2	Low	75.6	Confident	127 Å²	127	69.2 Å²	69.2	83%	0.825	37%	0.372	S	S	*	.	S	Bend	trans	-77.9	-5	-175.9	32.1	-36.9	0	0	0	114.3
191	D	76.9	Confident	76	Confident	77 Å²	77	64.4 Å²	64.4	41%	0.412	35%	0.352	S	S	.	.			trans	-103.2	115	173.9	178.3	-22.4	0	0	0	108.4	V189 D193 K194 C195	V189-D191 HydrophobicContact CG1-CB 4.21Å; V189-D191 PolarHBondContact O-N 3.49Å; D191-D193 VanDerWaalsContact C-N 3.34Å; D191-D193 PolarHBondContact OD1-N 3.37Å; D191-K194 HydrophobicContact CB-CB 3.98Å; D191-K194 PolarHBondContact OD1-N 3.28Å; D191-C195 WeakPolarHBondContact O-CB 3.24Å; D191-C195 PolarHBondContact O-N 2.7Å
192	E	78.7	Confident	76.4	Confident	149 Å²	149	64.1 Å²	64.1	70%	0.696	35%	0.35	S	S	*	.	H	α-helix	trans	-67.9	-32.6	-177.3	-65.3	-179.8	-178.4	0	0	112.1	Q196	E192-Q196 WeakPolarHBondContact O-CB 3.45Å; E192-Q196 PolarHBondContact O-N 3Å
193	D	83.1	Confident	77	Confident	118 Å²	118	63.5 Å²	63.5	63%	0.631	35%	0.351	S	S	*	.	H	α-helix	trans	-77.5	-41.8	179.7	-72.1	-44.8	0	0	0	110.9	D191 Q196 A197	D191-D193 VanDerWaalsContact C-N 3.34Å; D191-D193 PolarHBondContact OD1-N 3.37Å; D193-Q196 PolarHBondContact O-N 3.32Å; D193-A197 WeakPolarHBondContact O-CB 3.48Å; D193-A197 PolarHBondContact O-N 3.14Å
194	K	85.2	Confident	77.6	Confident	56 Å²	56	60 Å²	60	24%	0.243	34%	0.339	C	S	.	.	H	α-helix	trans	-64.3	-40.3	170.9	-170.6	172.6	-179	179.4	0	111.8	D51 I89 L90 V189 D191 A197 V198	D51-K194 IonicContact OD1-NZ 4Å; D51-K194 PolarHBondContact OD1-NZ 3.17Å; I89-K194 HydrophobicContact CG2-CB 3.89Å; I89-K194 HydrophobicContact CG2-CG 4.09Å; L90-K194 HydrophobicContact CD2-CG 4.19Å; V189-K194 HydrophobicContact CG1-CB 4.25Å; V189-K194 HydrophobicContact CG1-CG 4.43Å; D191-K194 HydrophobicContact CB-CB 3.98Å; D191-K194 PolarHBondContact OD1-N 3.28Å; K194-A197 PolarHBondContact O-N 2.81Å; K194-V198 WeakPolarHBondContact O-CG2 3.2Å; K194-V198 PolarHBondContact O-N 2.72Å
195	C	84.8	Confident	78.8	Confident	9 Å²	9	57.8 Å²	57.8	6%	0.061	32%	0.323	C	S	.	.	H	α-helix	trans	-56.8	-52.8	172.9	-167.4	0	0	0	0	111	Q185 V189 D191 A197 V198 F199	Q185-C195 PolarHBondContact O-SG 2.97Å; V189-C195 HydrophobicContact CB-CB 4.09Å; D191-C195 WeakPolarHBondContact O-CB 3.24Å; D191-C195 PolarHBondContact O-N 2.7Å; C195-A197 VanDerWaalsContact C-N 3.31Å; C195-A197 PolarHBondContact O-N 3.36Å; C195-V198 PolarHBondContact O-N 2.9Å; C195-F199 VanDerWaalsContact O-CD2 3.3Å; C195-F199 WeakPolarHBondContact O-CD2 3.21Å; C195-F199 PolarHBondContact O-N 3.37Å; C195-F199 VanDerWaalsContact SG-CE2 3.57Å
196	Q	86.9	Confident	80.4	Confident	90 Å²	90	55.6 Å²	55.6	42%	0.421	31%	0.313	S	S	.	.	H	α-helix	trans	-62.2	-36	179	-176.3	58.8	66.5	0	0	112.5	E192 D193 S200	E192-Q196 WeakPolarHBondContact O-CB 3.45Å; E192-Q196 PolarHBondContact O-N 3Å; D193-Q196 PolarHBondContact O-N 3.32Å; Q196-S200 PolarHBondContact NE2-OG 3.21Å; Q196-S200 VanDerWaalsContact NE2-OG 3.07Å; Q196-S200 VanDerWaalsContact O-CB 3.32Å; Q196-S200 WeakPolarHBondContact O-CB 3.31Å; Q196-S200 PolarHBondContact O-N 2.89Å; Q196-S200 PolarHBondContact O-OG 3.42Å
197	A	90.1	Very high	82.3	Confident	21 Å²	21	55.9 Å²	55.9	17%	0.174	31%	0.307	C	S	.	.	H	α-helix	trans	-63.6	-49.1	174.5	0	0	0	0	0	112.1	I89 L90 D193 K194 C195 F199 S200 A201	I89-A197 HydrophobicContact CB-CB 4.07Å; I89-A197 HydrophobicContact CG2-CB 3.64Å; L90-A197 HydrophobicContact CD1-CB 4.3Å; L90-A197 HydrophobicContact CD2-CB 4.05Å; L90-A197 HydrophobicContact CG-CB 3.98Å; D193-A197 WeakPolarHBondContact O-CB 3.48Å; D193-A197 PolarHBondContact O-N 3.14Å; K194-A197 PolarHBondContact O-N 2.81Å; C195-A197 VanDerWaalsContact C-N 3.31Å; C195-A197 PolarHBondContact O-N 3.36Å; A197-F199 PolarHBondContact O-N 3.03Å; A197-S200 PolarHBondContact O-N 2.75Å; A197-A201 PolarHBondContact O-N 3.24Å
198	V	90.9	Very high	84	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.018	30%	0.296	C	S	.	.	H	α-helix	trans	-55	-51.7	175.4	169.4	0	0	0	0	110.9	I47 P52 L56 L90 K194 C195 S200 A201 V202	I47-V198 HydrophobicContact CD1-CG1 3.72Å; I47-V198 HydrophobicContact CG1-CG1 3.83Å; P52-V198 HydrophobicContact CG-CG1 4.17Å; P52-V198 HydrophobicContact CG-CG2 3.65Å; L56-V198 HydrophobicContact CD1-CG1 4.21Å; L90-V198 HydrophobicContact CD2-CG2 3.62Å; K194-V198 WeakPolarHBondContact O-CG2 3.2Å; K194-V198 PolarHBondContact O-N 2.72Å; C195-V198 PolarHBondContact O-N 2.9Å; V198-S200 VanDerWaalsContact C-N 3.3Å; V198-S200 PolarHBondContact O-N 3.3Å; V198-A201 PolarHBondContact O-N 2.84Å; V198-V202 WeakPolarHBondContact O-CG2 3.25Å; V198-V202 PolarHBondContact O-N 2.95Å
199	F	90.3	Very high	85.6	Confident	5 Å²	5	53.1 Å²	53.1	2%	0.022	29%	0.288	C	S	.	.	H	α-helix	trans	-61.9	-36.1	179.3	-85.2	-71.5	0	0	0	113.1	M181 Q185 F188 C195 A197 A203	M181-F199 HydrophobicContact CB-CE1 4.24Å; M181-F199 HydrophobicContact CE-CD1 3.96Å; M181-F199 HydrophobicContact CE-CE1 3.67Å; M181-F199 HydrophobicContact CG-CE1 3.81Å; M181-F199 HydrophobicContact CG-CZ 4.27Å; M181-F199 WeakPolarHBondContact O-CE1 3.22Å; M181-F199 VanDerWaalsContact O-CZ 3.25Å; M181-F199 WeakPolarHBondContact O-CZ 3.11Å; M181-F199 HydrophobicContact SD-CE1 4.43Å; Q185-F199 HydrophobicContact CB-CE2 4.37Å; Q185-F199 HydrophobicContact CG-CD1 4.47Å; Q185-F199 HydrophobicContact CG-CD2 3.64Å; Q185-F199 HydrophobicContact CG-CE1 4.29Å; Q185-F199 HydrophobicContact CG-CE2 3.46Å; Q185-F199 VanDerWaalsContact CG-CE2 3.46Å; Q185-F199 HydrophobicContact CG-CG 4.17Å; Q185-F199 HydrophobicContact CG-CZ 3.82Å; F188-F199 HydrophobicContact CD2-CZ 4.41Å; C195-F199 VanDerWaalsContact O-CD2 3.3Å; C195-F199 WeakPolarHBondContact O-CD2 3.21Å; C195-F199 PolarHBondContact O-N 3.37Å; C195-F199 VanDerWaalsContact SG-CE2 3.57Å; A197-F199 PolarHBondContact O-N 3.03Å; F199-A203 VanDerWaalsContact O-CB 3.25Å; F199-A203 WeakPolarHBondContact O-CB 3.27Å; F199-A203 PolarHBondContact O-N 3.38Å
200	S	90.1	Very high	87.1	Confident	58 Å²	58	57.5 Å²	57.5	41%	0.406	31%	0.306	S	S	.	.	H	α-helix	trans	-69.1	-40.5	177.5	-54.3	0	0	0	0	111.5	Q196 A197 V198 A204	Q196-S200 PolarHBondContact NE2-OG 3.21Å; Q196-S200 VanDerWaalsContact NE2-OG 3.07Å; Q196-S200 VanDerWaalsContact O-CB 3.32Å; Q196-S200 WeakPolarHBondContact O-CB 3.31Å; Q196-S200 PolarHBondContact O-N 2.89Å; Q196-S200 PolarHBondContact O-OG 3.42Å; A197-S200 PolarHBondContact O-N 2.75Å; V198-S200 VanDerWaalsContact C-N 3.3Å; V198-S200 PolarHBondContact O-N 3.3Å; S200-A204 VanDerWaalsContact O-CB 3.3Å; S200-A204 WeakPolarHBondContact O-CB 3.43Å; S200-A204 PolarHBondContact O-N 3.32Å
201	A	92	Very high	88.5	Confident	5 Å²	5	51.6 Å²	51.6	4%	0.041	27%	0.268	C	S	.	.	H	α-helix	trans	-67.2	-42.2	176.5	0	0	0	0	0	112.6	L56 H60 F83 L90 A197 V198 A204 Y205	L56-A201 HydrophobicContact CB-CB 4.49Å; L56-A201 HydrophobicContact CD1-CB 4.07Å; L56-A201 HydrophobicContact CD2-CB 4.27Å; H60-A201 PolarHBondContact NE2-O 3.31Å; F83-A201 HydrophobicContact CZ-CB 4.16Å; L90-A201 HydrophobicContact CD1-CB 3.83Å; A197-A201 PolarHBondContact O-N 3.24Å; V198-A201 PolarHBondContact O-N 2.84Å; A201-A204 PolarHBondContact O-N 3.23Å; A201-Y205 PolarHBondContact O-N 3.41Å; A201-Y205 VanDerWaalsContact O-N 3.1Å
202	V	93.3	Very high	88.7	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.8	-49.1	173.4	175.4	0	0	0	0	110.8	L40 M43 I47 L56 L178 M181 V198 A204 Y205 M206	L40-V202 HydrophobicContact CD1-CG1 3.86Å; M43-V202 HydrophobicContact SD-CB 4.37Å; M43-V202 HydrophobicContact SD-CG1 3.69Å; M43-V202 HydrophobicContact SD-CG2 4.04Å; I47-V202 HydrophobicContact CD1-CG2 4.02Å; L56-V202 HydrophobicContact CD2-CG2 3.72Å; L178-V202 HydrophobicContact CD1-CG1 4.12Å; M181-V202 HydrophobicContact CE-CB 4.33Å; M181-V202 HydrophobicContact CE-CG1 3.86Å; M181-V202 HydrophobicContact CE-CG2 4.43Å; V198-V202 WeakPolarHBondContact O-CG2 3.25Å; V198-V202 PolarHBondContact O-N 2.95Å; V202-A204 VanDerWaalsContact C-N 3.27Å; V202-A204 PolarHBondContact O-N 2.95Å; V202-Y205 PolarHBondContact O-N 3.43Å; V202-Y205 VanDerWaalsContact O-N 3.14Å; V202-M206 HydrophobicContact CG1-CG 4.04Å; V202-M206 WeakPolarHBondContact O-CB 3.21Å; V202-M206 WeakPolarHBondContact O-CG 3.5Å; V202-M206 PolarHBondContact O-N 2.71Å
203	A	91.4	Very high	88.2	Confident	19 Å²	19	49.3 Å²	49.3	16%	0.157	25%	0.254	C	S	.	.	H	α-helix	trans	-62.8	-33.8	-179.1	0	0	0	0	0	112.7	F199 K207	F199-A203 VanDerWaalsContact O-CB 3.25Å; F199-A203 WeakPolarHBondContact O-CB 3.27Å; F199-A203 PolarHBondContact O-N 3.38Å; A203-K207 VanDerWaalsContact O-CB 3.25Å; A203-K207 WeakPolarHBondContact O-CB 3.36Å; A203-K207 PolarHBondContact O-N 3.4Å
204	A	90.3	Very high	87	Confident	47 Å²	47	49.8 Å²	49.8	39%	0.388	25%	0.247	S	C	.	.	H	α-helix	trans	-66.5	-42.8	173.1	0	0	0	0	0	112.3	S200 A201 V202 K207 H208	S200-A204 VanDerWaalsContact O-CB 3.3Å; S200-A204 WeakPolarHBondContact O-CB 3.43Å; S200-A204 PolarHBondContact O-N 3.32Å; A201-A204 PolarHBondContact O-N 3.23Å; V202-A204 VanDerWaalsContact C-N 3.27Å; V202-A204 PolarHBondContact O-N 2.95Å; A204-K207 PolarHBondContact O-N 3.39Å; A204-H208 PolarHBondContact O-N 2.93Å
205	Y	92.4	Very high	85.4	Confident	6 Å²	6	47.2 Å²	47.2	2%	0.024	24%	0.236	C	C	.	.	H	α-helix	trans	-69.3	-43.9	177.2	-165.8	-87.6	0	0	0	112.2	K33 L39 M43 L59 I63 A201 V202 K207 H208 L209	K33-Y205 WeakPolarHBondContact CG-OH 3.39Å; L39-Y205 HydrophobicContact CD2-CD1 3.91Å; L39-Y205 HydrophobicContact CD2-CE1 3.43Å; L39-Y205 VanDerWaalsContact CD2-CE1 3.43Å; M43-Y205 HydrophobicContact CE-CD1 3.87Å; M43-Y205 HydrophobicContact CE-CG 4.25Å; L59-Y205 HydrophobicContact CB-CD2 3.74Å; L59-Y205 HydrophobicContact CB-CE2 3.63Å; L59-Y205 HydrophobicContact CB-CG 4.37Å; L59-Y205 HydrophobicContact CD2-CE1 4.46Å; L59-Y205 HydrophobicContact CD2-CE2 4.33Å; L59-Y205 HydrophobicContact CG-CE2 4.49Å; L59-Y205 VanDerWaalsContact O-CE2 3.31Å; L59-Y205 WeakPolarHBondContact O-CE2 3.05Å; I63-Y205 HydrophobicContact CD1-CD2 3.5Å; I63-Y205 HydrophobicContact CD1-CE2 3.79Å; I63-Y205 HydrophobicContact CD1-CG 4.44Å; I63-Y205 HydrophobicContact CG1-CD2 3.99Å; I63-Y205 HydrophobicContact CG1-CE2 3.74Å; A201-Y205 PolarHBondContact O-N 3.41Å; A201-Y205 VanDerWaalsContact O-N 3.1Å; V202-Y205 PolarHBondContact O-N 3.43Å; V202-Y205 VanDerWaalsContact O-N 3.14Å; Y205-K207 VanDerWaalsContact C-N 3.27Å; Y205-K207 PolarHBondContact O-N 3.3Å; Y205-H208 WeakPolarHBondContact O-CA 3.37Å; Y205-H208 VanDerWaalsContact O-CB 3.29Å; Y205-H208 WeakPolarHBondContact O-CB 3.36Å; Y205-H208 PolarHBondContact O-N 3.29Å; Y205-L209 HydrophobicContact CD1-CD1 4.29Å; Y205-L209 HydrophobicContact CD1-CG 4.32Å; Y205-L209 HydrophobicContact CE1-CD1 3.81Å; Y205-L209 HydrophobicContact CE1-CD2 4.23Å; Y205-L209 HydrophobicContact CE1-CG 3.9Å; Y205-L209 PolarHBondContact O-N 2.69Å; Y205-L209 VanDerWaalsContact O-N 3.16Å
206	M	93.5	Very high	83.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-34.3	176.8	-72.2	-65.9	154	0	0	112.2	P36 L39 L40 M43 L178 V202 H208 L209 E210 V211	P36-M206 HydrophobicContact CB-SD 4.25Å; L39-M206 HydrophobicContact CB-CE 4.28Å; L39-M206 HydrophobicContact CD2-CE 4Å; L39-M206 HydrophobicContact CG-CE 4.04Å; L40-M206 HydrophobicContact CB-CE 3.67Å; L40-M206 HydrophobicContact CB-SD 4.29Å; L40-M206 HydrophobicContact CD1-CE 4.09Å; L40-M206 HydrophobicContact CD1-CG 4.48Å; L40-M206 HydrophobicContact CG-CE 4.37Å; M43-M206 HydrophobicContact CE-CE 3.97Å; M43-M206 HydrophobicContact SD-CE 3.57Å; M43-M206 VanDerWaalsContact SD-CE 3.57Å; L178-M206 HydrophobicContact CD2-CB 4Å; L178-M206 HydrophobicContact CD2-CG 4.48Å; V202-M206 HydrophobicContact CG1-CG 4.04Å; V202-M206 WeakPolarHBondContact O-CB 3.21Å; V202-M206 WeakPolarHBondContact O-CG 3.5Å; V202-M206 PolarHBondContact O-N 2.71Å; M206-H208 VanDerWaalsContact C-N 3.33Å; M206-H208 PolarHBondContact O-N 3.11Å; M206-L209 CarbonylContact O-C 3.55Å; M206-L209 PolarHBondContact O-N 3.07Å; M206-E210 PolarHBondContact O-N 2.9Å; M206-V211 HydrophobicContact CB-CB 4.19Å; M206-V211 WeakPolarHBondContact O-CB 3.45Å; M206-V211 PolarHBondContact O-N 2.82Å; M206-V211 HydrophobicContact SD-CG2 4.34Å
207	K	91.2	Very high	81.3	Confident	165 Å²	165	49.7 Å²	49.7	72%	0.717	26%	0.261	S	S	*	.	H	α-helix	trans	-65.1	-32	170.8	-178.7	-175	173.4	-167.6	0	113	A203 A204 Y205 L209 E210	A203-K207 VanDerWaalsContact O-CB 3.25Å; A203-K207 WeakPolarHBondContact O-CB 3.36Å; A203-K207 PolarHBondContact O-N 3.4Å; A204-K207 PolarHBondContact O-N 3.39Å; Y205-K207 VanDerWaalsContact C-N 3.27Å; Y205-K207 PolarHBondContact O-N 3.3Å; K207-L209 VanDerWaalsContact C-N 3.32Å; K207-E210 PolarHBondContact O-N 2.86Å
208	H	89.7	Confident	78.8	Confident	93 Å²	93	52.9 Å²	52.9	43%	0.431	28%	0.282	S	S	.	.	H	α-helix	trans	-67.7	-33.2	172.4	179.3	75.8	0	0	0	111.6	I63 A204 Y205 M206 E210	I63-H208 HydrophobicContact CD1-CB 3.71Å; I63-H208 HydrophobicContact CG1-CB 4.49Å; A204-H208 PolarHBondContact O-N 2.93Å; Y205-H208 WeakPolarHBondContact O-CA 3.37Å; Y205-H208 VanDerWaalsContact O-CB 3.29Å; Y205-H208 WeakPolarHBondContact O-CB 3.36Å; Y205-H208 PolarHBondContact O-N 3.29Å; M206-H208 VanDerWaalsContact C-N 3.33Å; M206-H208 PolarHBondContact O-N 3.11Å; H208-E210 PolarHBondContact O-N 3.14Å
209	L	90.5	Very high	76.4	Confident	27 Å²	27	58.3 Å²	58.3	14%	0.141	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	16.5	169.6	-57.3	-172.3	0	0	0	114.2	K33 P36 L39 K171 Y205 M206 K207 V211	K33-L209 WeakPolarHBondContact O-CD2 3.44Å; P36-L209 HydrophobicContact CB-CB 4.27Å; P36-L209 HydrophobicContact CB-CD1 3.84Å; P36-L209 HydrophobicContact CG-CD1 4.48Å; L39-L209 HydrophobicContact CD2-CD1 3.92Å; K171-L209 WeakPolarHBondContact CE-O 3.21Å; Y205-L209 HydrophobicContact CD1-CD1 4.29Å; Y205-L209 HydrophobicContact CD1-CG 4.32Å; Y205-L209 HydrophobicContact CE1-CD1 3.81Å; Y205-L209 HydrophobicContact CE1-CD2 4.23Å; Y205-L209 HydrophobicContact CE1-CG 3.9Å; Y205-L209 PolarHBondContact O-N 2.69Å; Y205-L209 VanDerWaalsContact O-N 3.16Å; M206-L209 CarbonylContact O-C 3.55Å; M206-L209 PolarHBondContact O-N 3.07Å; K207-L209 VanDerWaalsContact C-N 3.32Å; L209-V211 HydrophobicContact CB-CG2 4.38Å; L209-V211 PolarHBondContact O-N 2.66Å
210	E	89	Confident	73.8	Confident	133 Å²	133	66 Å²	66	62%	0.621	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	12.4	-179.5	-50.2	-175.3	138.2	0	0	116.5	K171 M206 K207 H208	K171-E210 HydrophobicContact CD-CB 4.46Å; K171-E210 IonicContact NZ-OE2 3.83Å; K171-E210 PolarHBondContact NZ-OE2 3.11Å; M206-E210 PolarHBondContact O-N 2.9Å; K207-E210 PolarHBondContact O-N 2.86Å; H208-E210 PolarHBondContact O-N 3.14Å
211	V	88	Confident	71	Confident	3 Å²	3	68.3 Å²	68.3	2%	0.018	36%	0.355	C	S	.	.			trans	-73.8	125.4	176.2	-175.6	0	0	0	0	109.8	P36 K171 A174 E175 L178 M206 L209	P36-V211 HydrophobicContact CB-CG2 3.66Å; P36-V211 HydrophobicContact CG-CG2 4.14Å; K171-V211 HydrophobicContact CG-CG2 4.49Å; A174-V211 HydrophobicContact CB-CG1 3.92Å; A174-V211 HydrophobicContact CB-CG2 3.93Å; E175-V211 HydrophobicContact CB-CG1 4.29Å; E175-V211 HydrophobicContact CG-CG1 3.69Å; L178-V211 HydrophobicContact CD2-CG1 4.45Å; M206-V211 HydrophobicContact CB-CB 4.19Å; M206-V211 WeakPolarHBondContact O-CB 3.45Å; M206-V211 PolarHBondContact O-N 2.82Å; M206-V211 HydrophobicContact SD-CG2 4.34Å; L209-V211 HydrophobicContact CB-CG2 4.38Å; L209-V211 PolarHBondContact O-N 2.66Å
212	K	81.4	Confident	68.3	Low	134 Å²	134	77.1 Å²	77.1	58%	0.583	39%	0.393	S	S	*	.			trans	-88.8	111.7	-173.8	-49.9	-179	-148.8	72.3	0	112.4	E175 R214	E175-K212 HydrophobicContact CG-CB 4.25Å; E175-K212 WeakPolarHBondContact CG-O 3.19Å; E175-K212 VanDerWaalsContact OE1-CB 3.31Å; E175-K212 WeakPolarHBondContact OE1-CB 3.39Å; E175-K212 VanDerWaalsContact OE1-CG 3.24Å; E175-K212 WeakPolarHBondContact OE1-CG 3.22Å; E175-K212 PolarHBondContact OE1-N 3.26Å; E175-K212 IonicContact OE1-NZ 3.76Å; E175-K212 PolarHBondContact OE1-NZ 3.31Å; K212-R214 PolarHBondContact O-N 3.37Å
213	N	68.4	Low	65.3	Low	44 Å²	44	88.7 Å²	88.7	24%	0.235	44%	0.436	C	S	.	.			trans	-72.7	99.2	172.6	-176.1	-24.1	0	0	0	111.6	L178 A215 G216	L178-N213 HydrophobicContact CD2-CB 4.2Å; N213-A215 WeakPolarHBondContact OD1-CB 3.36Å; N213-A215 PolarHBondContact OD1-N 2.81Å; N213-A215 VanDerWaalsContact OD1-N 3.08Å; N213-G216 PolarHBondContact OD1-N 3.33Å
214	R	58.4	Low	62.3	Low	127 Å²	127	91.3 Å²	91.3	48%	0.479	47%	0.465	S	S	.	.	H	α-helix	trans	-72.3	-28.1	178.6	-58.2	-179.5	-173.8	-174.2	5.1	113.5	E175 K212 G216 S218	E175-R214 IonicContact OE2-CZ 2.66Å; E175-R214 IonicContact OE2-NE 3.54Å; E175-R214 PolarHBondContact OE2-NE 2.7Å; E175-R214 IonicContact OE2-NH2 3.24Å; E175-R214 PolarHBondContact OE2-NH2 3.46Å; K212-R214 PolarHBondContact O-N 3.37Å; R214-G216 VanDerWaalsContact C-N 3.33Å; R214-G216 PolarHBondContact O-N 3Å; R214-S218 WeakPolarHBondContact O-CB 3.24Å; R214-S218 PolarHBondContact O-OG 2.99Å
215	A	50.6	Low	59.2	Low	3 Å²	3	98.5 Å²	98.5	3%	0.025	49%	0.487	C	S	.	.	H	α-helix	trans	-70	-26.6	179.4	0	0	0	0	0	113.2	F182 N213	F182-A215 HydrophobicContact CD1-CB 4.15Å; F182-A215 HydrophobicContact CG-CB 4.31Å; N213-A215 WeakPolarHBondContact OD1-CB 3.36Å; N213-A215 PolarHBondContact OD1-N 2.81Å; N213-A215 VanDerWaalsContact OD1-N 3.08Å
216	G	44.8	Very low	56.2	Low	40 Å²	40	103.6 Å²	103.6	41%	0.412	52%	0.521	S	S	.	.	H	α-helix	trans	-75	-47.2	-177.9	0	0	0	0	0	114.8	N213 R214	N213-G216 PolarHBondContact OD1-N 3.33Å; R214-G216 VanDerWaalsContact C-N 3.33Å; R214-G216 PolarHBondContact O-N 3Å
217	D	40.3	Very low	52.9	Low	111 Å²	111	114.9 Å²	114.9	59%	0.594	56%	0.564	S	S	*	*	H	α-helix	trans	-82.1	-31.2	-175.3	-93.2	-58.5	0	0	0	113.6	K219 K220	D217-K219 PolarHBondContact O-N 2.79Å; D217-K220 WeakPolarHBondContact OD1-CE 3.28Å; D217-K220 IonicContact OD1-NZ 3.8Å; D217-K220 PolarHBondContact OD1-NZ 3.28Å
218	S	38.7	Very low	49.9	Very low	88 Å²	88	114 Å²	114	62%	0.615	57%	0.566	S	S	*	*	H	α-helix	trans	-67.8	-28.9	-179.7	56.4	0	0	0	0	114	R214 K220	R214-S218 WeakPolarHBondContact O-CB 3.24Å; R214-S218 PolarHBondContact O-OG 2.99Å; S218-K220 VanDerWaalsContact C-N 3.28Å; S218-K220 PolarHBondContact O-N 2.85Å
219	K	40.1	Very low	46.9	Very low	117 Å²	117	117.8 Å²	117.8	51%	0.509	58%	0.581	S	S	.	*	G	3₁₀ helix	trans	-78.4	0.2	-177.1	-81.8	168.5	-178.7	158.7	0	114.8	D183 D217 S221	D183-K219 IonicContact OD1-NZ 3.26Å; D183-K219 PolarHBondContact OD1-NZ 3.5Å; D217-K219 PolarHBondContact O-N 2.79Å; K219-S221 PolarHBondContact O-N 2.85Å
220	K	36.1	Very low	43.9	Very low	166 Å²	166	124.2 Å²	124.2	72%	0.722	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-65	0.1	178.5	-74.3	174	178.3	168.9	0	115.9	D217 S218	D217-K220 WeakPolarHBondContact OD1-CE 3.28Å; D217-K220 IonicContact OD1-NZ 3.8Å; D217-K220 PolarHBondContact OD1-NZ 3.28Å; S218-K220 VanDerWaalsContact C-N 3.28Å; S218-K220 PolarHBondContact O-N 2.85Å
221	S	31.8	Very low	40.8	Very low	106 Å²	106	127.3 Å²	127.3	74%	0.741	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-135.3	45.9	178.9	-161	0	0	0	0	114.6	K219	K219-S221 PolarHBondContact O-N 2.85Å
222	K	35.1	Very low	38	Very low	191 Å²	191	133.9 Å²	133.9	83%	0.83	66%	0.657	S	S	*	*	S	Bend	trans	-174.8	57.6	152.1	-104.5	157.5	-172.9	173.8	0	116.4
223	R	29.4	Very low	35.2	Very low	243 Å²	243	136.4 Å²	136.4	92%	0.917	67%	0.67	S	S	*	*			trans	-175.3	130.1	143.4	-110.9	163.6	-79.6	-156.3	3.5	109.9
224	G	28.2	Very low	33.1	Very low	73 Å²	73	141.1 Å²	141.1	75%	0.753	70%	0.695	S	S	*	*			trans	-97.9	104.2	179.5	0	0	0	0	0	111.8
225	F	26.6	Very low	32	Very low	198 Å²	198	140.4 Å²	140.4	87%	0.868	71%	0.707	S	S	*	*			trans	-137.4	149.4	154.6	-86.7	-78.7	0	0	0	109.1
226	P	28.6	Very low	30.8	Very low	113 Å²	113	147.8 Å²	147.8	73%	0.734	74%	0.741	S	S	*	*			trans	-80.9	149	-163.3	-14.7	31.9	0	0	0	114.2	I228	P226-I228 PolarHBondContact O-N 3.3Å
227	W	24.3	Very low	29.9	Very low	237 Å²	237	153.5 Å²	153.5	90%	0.898	76%	0.755	S	S	*	*			trans	-69.4	110.6	172.1	-164	25.8	0	0	0	109.8	K229	W227-K229 PolarHBondContact O-N 3.43Å
228	I	27.9	Very low	29	Very low	148 Å²	148	153.1 Å²	153.1	76%	0.759	76%	0.761	S	S	*	*			trans	-73.5	101.7	179.8	-62.1	179.2	0	0	0	109.4	P226	P226-I228 PolarHBondContact O-N 3.3Å
229	K	27.1	Very low	28.4	Very low	172 Å²	172	157.5 Å²	157.5	75%	0.748	77%	0.769	S	S	*	*			trans	-75.8	112.5	150.9	-71	-177	175.4	-176.7	0	107.4	W227 K231	W227-K229 PolarHBondContact O-N 3.43Å; K229-K231 PolarHBondContact O-N 3.09Å
230	Q	26.5	Very low	27.6	Very low	161 Å²	161	159 Å²	159	75%	0.752	78%	0.781	S	S	*	*			trans	-57.1	131.8	164	-81.9	180	-31.1	0	0	108.8
231	K	25.5	Very low	27	Very low	198 Å²	198	163 Å²	163	86%	0.861	79%	0.791	S	S	*	*			trans	-145.5	110.6	178	-166.7	-176.8	-177.2	-171	0	107.7	K229	K229-K231 PolarHBondContact O-N 3.09Å
232	N	27.8	Very low	26.6	Very low	142 Å²	142	161.2 Å²	161.2	76%	0.759	79%	0.79	S	S	*	*			trans	-57	134.6	-175.1	-73.3	-26.4	0	0	0	112.8
233	H	23.8	Very low	25.9	Very low	186 Å²	186	161.3 Å²	161.3	86%	0.861	79%	0.791	S	S	*	*			trans	-160.4	151.2	138.6	-132.8	-79.3	0	0	0	113.7
234	D	24.4	Very low	25.5	Very low	143 Å²	143	157.2 Å²	157.2	77%	0.765	78%	0.781	S	S	*	*			trans	-66	160.1	179.3	-89.5	-68.5	0	0	0	115.8
235	P	33.7	Very low	25.3	Very low	113 Å²	113	159.7 Å²	159.7	73%	0.734	78%	0.782	S	S	*	*			trans	-91.5	146.7	-168.4	35.5	-36	0	0	0	115.3
236	Q	26.3	Very low	25.3	Very low	158 Å²	158	156 Å²	156	74%	0.738	78%	0.778	S	S	*	*			trans	-155.4	126.1	157.1	-110	-160.1	178.4	0	0	115.6
237	K	25.6	Very low	25	Very low	160 Å²	160	156.6 Å²	156.6	70%	0.696	78%	0.779	S	S	*	*			trans	58	92.6	141	-64.4	169	-176.3	154.9	0	121.7
238	S	22.6	Very low	24.9	Very low	103 Å²	103	157.1 Å²	157.1	72%	0.72	78%	0.781	S	S	*	*				78.2	148.1	115.3	79.2	0	0	0	0	124
239	K	25.3	Very low	24.8	Very low	180 Å²	180	158.6 Å²	158.6	78%	0.783	79%	0.789	S	S	*	*			trans	89.6	90.1	155.5	-64.1	-176.2	180	178.9	0	122.2
240	I	23.7	Very low	24.5	Very low	147 Å²	147	154.2 Å²	154.2	75%	0.754	79%	0.793	S	S	*	*				61.9	130.7	110.5	-65.2	167.1	0	0	0	121.6
241	R	23.1	Very low	24.3	Very low	251 Å²	251	150.4 Å²	150.4	95%	0.947	80%	0.797	S	S	*	*			trans	69.9	148.3	167.2	-74.1	170.5	-174.3	-163.7	1.6	117.4
242	G	22.4	Very low	24.1	Very low	69 Å²	69	146.7 Å²	146.7	71%	0.711	80%	0.796	S	S	*	*			cis	167.1	142.9	-11.4	0	0	0	0	0	115.7
243	F	21.6	Very low	24	Very low	193 Å²	193	146.7 Å²	146.7	85%	0.846	79%	0.794	S	S	*	*			trans	55.4	100.3	158.4	-86.5	-103.5	0	0	0	123.2
244	H	21.4	Very low	23.9	Very low	156 Å²	156	146.2 Å²	146.2	72%	0.722	79%	0.792	S	S	*	*				67.4	134.6	116.9	-83	-83.7	0	0	0	125.3
245	V	23.4	Very low	23.9	Very low	125 Å²	125	144.7 Å²	144.7	76%	0.758	79%	0.788	S	S	*	*			trans	76.6	133.7	147.5	169.5	0	0	0	0	115.2
246	P	25.8	Very low	23.5	Very low	121 Å²	121	148 Å²	148	79%	0.786	79%	0.791	S	S	*	*			cis	-138.6	177.3	49.8	42.3	-24.2	0	0	0	119.5
247	T	22.6	Very low	23.7	Very low	125 Å²	125	146.4 Å²	146.4	77%	0.767	79%	0.794	S	S	*	*			trans	-84	151.7	-179.1	-48.3	0	0	0	0	113.7
248	W	23.6	Very low	23.7	Very low	248 Å²	248	147.7 Å²	147.7	94%	0.939	80%	0.8	S	S	*	*			trans	-133.6	124.9	165.4	-92	3	0	0	0	111.2
249	I	25.8	Very low	23.8	Very low	179 Å²	179	149.8 Å²	149.8	92%	0.918	80%	0.803	S	S	*	*			trans	-148.9	136.9	145.3	-63.6	-169.6	0	0	0	107.6
250	G	20.5	Very low	24.6	Very low	81 Å²	81	146.3 Å²	146.3	84%	0.835	80%	0.799	S	S	*	*			trans	175.7	97.9	168.9	0	0	0	0	0	112.3
251	G	21.6	Very low	24.7	Very low	81 Å²	81	148 Å²	148	84%	0.835	80%	0.804	S	S	*	*			trans	158.3	115.9	178.2	0	0	0	0	0	112.3
252	S	22	Very low	25	Very low	119 Å²	119	141.9 Å²	141.9	83%	0.832	79%	0.794	S	S	*	*			trans	-108.5	154.1	-174.6	-67.1	0	0	0	0	113.5
253	I	24.6	Very low	25.2	Very low	142 Å²	142	144 Å²	144	73%	0.728	79%	0.789	S	S	*	*			trans	-1	128	136.3	-57.4	165.8	0	0	0	115.4
254	E	23.1	Very low	25.5	Very low	176 Å²	176	142.9 Å²	142.9	82%	0.822	78%	0.784	S	S	*	*				-167.8	-160.5	102.6	-155.7	94.9	-115	0	0	110.5
255	V	24.4	Very low	25.7	Very low	112 Å²	112	142.7 Å²	142.7	68%	0.679	79%	0.788	S	S	*	*			trans	-133.8	134.7	-144.4	173.3	0	0	0	0	113.6
256	K	25.2	Very low	26.8	Very low	181 Å²	181	141.1 Å²	141.1	79%	0.787	78%	0.78	S	S	*	*			trans	0	123.5	148.8	-177.9	-176.5	-175.1	177.6	0	118.8
257	P	29.7	Very low	26.9	Very low	125 Å²	125	145.4 Å²	145.4	81%	0.812	79%	0.786	S	S	*	*			trans	-97.9	-172.9	144.7	0.7	20.2	0	0	0	112.1
258	K	25.3	Very low	27.1	Very low	187 Å²	187	142.5 Å²	142.5	81%	0.813	78%	0.781	S	S	*	*			trans	-144.4	128	-175.7	179.1	-167.5	175	-165.6	0	109.3
259	D	24.6	Very low	27.3	Very low	147 Å²	147	141.2 Å²	141.2	79%	0.786	78%	0.776	S	S	*	*			trans	-68.9	166.9	-179.7	-44.8	-80.5	0	0	0	112.7
260	P	42.7	Very low	27.3	Very low	108 Å²	108	138.9 Å²	138.9	70%	0.701	76%	0.762	S	S	*	*				-142.7	153.1	90	39.9	-26.3	0	0	0	116.3
261	E	25.9	Very low	27.7	Very low	183 Å²	183	141.1 Å²	141.1	86%	0.855	75%	0.753	S	S	*	*			trans	53.9	139.1	135	-65.3	-170.5	122	0	0	121.2
262	V	28.5	Very low	28	Very low	121 Å²	121	147 Å²	147	73%	0.733	76%	0.756	S	S	*	*			cis	-163.5	169.6	-2	104.9	0	0	0	0	111.5
263	D	27.2	Very low	28.2	Very low	113 Å²	113	144.5 Å²	144.5	60%	0.604	75%	0.748	S	S	*	*			trans	100.5	138.8	152.3	-126.4	-18.2	0	0	0	122.7
264	K	28.3	Very low	28.3	Very low	171 Å²	171	144.4 Å²	144.4	74%	0.743	75%	0.754	S	S	*	*			trans	60.7	102.8	159.1	-76.1	135.2	-165.5	159.3	0	124.6
265	D	25.3	Very low	28.6	Very low	152 Å²	152	142 Å²	142	81%	0.813	76%	0.756	S	S	*	*			trans	-33.6	175.5	132.9	-111.2	-44.6	0	0	0	116.9
266	P	45.3	Very low	28.6	Very low	91 Å²	91	140.1 Å²	140.1	59%	0.591	76%	0.76	S	S	*	*			cis	-143.4	168.4	-8.9	38.9	-19.9	0	0	0	118.3
267	K	28.6	Very low	28.7	Very low	211 Å²	211	143.8 Å²	143.8	92%	0.917	77%	0.769	S	S	*	*			trans	62.1	154.7	156.2	-67.7	161.6	-177.8	173.4	0	118.6
268	G	27	Very low	28.4	Very low	64 Å²	64	141.5 Å²	141.5	66%	0.66	77%	0.768	S	S	*	*			cis	167.7	-173.6	-3.3	0	0	0	0	0	112.1
269	R	27.8	Very low	28.4	Very low	222 Å²	222	137.7 Å²	137.7	84%	0.838	77%	0.765	S	S	*	*			trans	84	153.8	174.7	-50.6	-177.9	105.2	151.3	4.1	117.3
270	E	25.2	Very low	28.6	Very low	130 Å²	130	138.2 Å²	138.2	61%	0.607	77%	0.766	S	S	*	*			cis	-163.6	136.3	-17.4	-107.3	172.8	-160.8	0	0	113.6
271	I	29.9	Very low	27.8	Very low	127 Å²	127	138.6 Å²	138.6	65%	0.651	77%	0.767	S	S	*	*				63	132.3	129	-64.2	175.9	0	0	0	125.1
272	K	27.7	Very low	27.6	Very low	206 Å²	206	138.5 Å²	138.5	90%	0.896	77%	0.767	S	S	*	*			trans	67.7	155.2	159.7	-74.1	161.3	-168.3	173.6	0	119.9
273	G	25.2	Very low	27.6	Very low	65 Å²	65	138.8 Å²	138.8	67%	0.67	77%	0.769	S	S	*	*			cis	159.7	137.4	-18.1	0	0	0	0	0	118.8
274	V	27.9	Very low	28.3	Very low	141 Å²	141	139.6 Å²	139.6	86%	0.855	78%	0.78	S	S	*	*			trans	82.9	136.6	136.5	176.6	0	0	0	0	123.9
275	S	28.1	Very low	28.4	Very low	124 Å²	124	137.9 Å²	137.9	87%	0.867	78%	0.784	S	S	*	*			trans	71.9	150.7	161.8	-72.5	0	0	0	0	121.5
276	G	25.9	Very low	29.4	Very low	73 Å²	73	135.8 Å²	135.8	75%	0.753	78%	0.778	S	S	*	*			cis	168	134.3	-13.8	0	0	0	0	0	118.8
277	R	25.9	Very low	28.6	Very low	259 Å²	259	137.1 Å²	137.1	98%	0.977	79%	0.79	S	S	*	*			trans	66.4	109.9	137	-159.4	-176.6	-166.1	-163.8	4	125.3
278	G	23.8	Very low	28.6	Very low	77 Å²	77	131.6 Å²	131.6	79%	0.794	78%	0.784	S	S	*	*			trans	87.5	167.3	143.1	0	0	0	0	0	119.6
279	S	25.9	Very low	28.5	Very low	107 Å²	107	138.2 Å²	138.2	75%	0.748	79%	0.794	S	S	*	*			cis	-173.3	142.3	-23.2	-161.7	0	0	0	0	112.8
280	L	27.9	Very low	28.4	Very low	157 Å²	157	136.4 Å²	136.4	82%	0.822	79%	0.793	S	S	*	*			trans	64.1	164.5	166.2	-63.1	166.2	0	0	0	117.8
281	T	25.7	Very low	29.9	Very low	117 Å²	117	134.9 Å²	134.9	72%	0.718	79%	0.794	S	S	*	*			cis	-156	171.2	12.5	-20.2	0	0	0	0	113.6
282	E	21.8	Very low	29.8	Very low	181 Å²	181	136.3 Å²	136.3	85%	0.846	80%	0.798	S	S	*	*			trans	83.5	158.8	150.3	-82.3	-178.1	-169.7	0	0	124.8
283	T	29.1	Very low	29.8	Very low	127 Å²	127	132.3 Å²	132.3	78%	0.779	79%	0.786	S	S	*	*			trans	-143.6	159.5	-175.4	54.3	0	0	0	0	110.7
284	P	41.8	Very low	30	Very low	129 Å²	129	135 Å²	135	84%	0.838	79%	0.79	S	S	*	*				-152.3	-170.5	106.4	37.7	-17.7	0	0	0	115.9
285	V	31.2	Very low	30	Very low	135 Å²	135	132.4 Å²	132.4	82%	0.818	78%	0.783	S	S	*	*			trans	-110.5	169.3	-172.5	-143	0	0	0	0	112.2
286	P	45.7	Very low	29.9	Very low	108 Å²	108	132.2 Å²	132.2	70%	0.701	78%	0.782	S	S	*	*				-158.4	168.9	89.8	41.4	-21.7	0	0	0	119.2
287	S	27.6	Very low	30.1	Very low	120 Å²	120	133 Å²	133	84%	0.839	78%	0.782	S	S	*	*			trans	66.4	146.7	155.8	-65	0	0	0	0	119.7
288	A	28.9	Very low	31.3	Very low	94 Å²	94	125.9 Å²	125.9	78%	0.777	77%	0.768	S	S	*	*			cis	-157	-162.5	-8.2	0	0	0	0	0	108
289	K	26.6	Very low	31.5	Very low	204 Å²	204	129.7 Å²	129.7	89%	0.887	77%	0.771	S	S	*	*			cis	-153.7	-150.1	4.8	-151.3	179.1	-176.8	-177.9	0	110.3
290	K	24.9	Very low	31.5	Very low	184 Å²	184	128.9 Å²	128.9	80%	0.8	77%	0.77	S	S	*	*			trans	-170.3	-171.6	-171.8	-131.8	-167.3	171.8	-170.7	0	111
291	P	57	Low	31.6	Very low	98 Å²	98	130 Å²	130	64%	0.636	77%	0.772	S	S	*	*			cis	-110.3	-158.2	-49.6	20.3	4.7	0	0	0	110.7
292	E	28	Very low	32.7	Very low	157 Å²	157	129.7 Å²	129.7	73%	0.734	77%	0.771	S	S	*	*			cis	-170.7	174.3	47.6	-82.5	-167.5	171.2	0	0	110.5
293	N	26.7	Very low	33	Very low	121 Å²	121	125.8 Å²	125.8	65%	0.647	77%	0.77	S	S	*	*			cis	-151.6	173	8.4	-128.6	-21.4	0	0	0	116.2
294	T	29.1	Very low	32.9	Very low	122 Å²	122	122.8 Å²	122.8	75%	0.748	76%	0.764	S	S	*	*			trans	-30.4	164.4	165.6	49.7	0	0	0	0	120.2
295	A	28.9	Very low	32.4	Very low	86 Å²	86	123.6 Å²	123.6	71%	0.711	76%	0.761	S	S	*	*			cis	-168.1	-155.2	-12.1	0	0	0	0	0	107.6
296	S	26	Very low	32.2	Very low	120 Å²	120	123.3 Å²	123.3	84%	0.839	76%	0.756	S	S	*	*			cis	-158.9	-172.7	14.3	-69	0	0	0	0	111.8
297	A	29.9	Very low	31.3	Very low	91 Å²	91	126.1 Å²	126.1	75%	0.752	76%	0.764	S	S	*	*			trans	-140.8	-161.3	167	0	0	0	0	0	108.3
298	P	50.1	Low	31.2	Very low	108 Å²	108	126.3 Å²	126.3	70%	0.701	76%	0.76	S	S	*	*			cis	-145.3	-167.8	1.2	44.3	-23.5	0	0	0	117.2
299	N	28.3	Very low	32.1	Very low	158 Å²	158	126.5 Å²	126.5	85%	0.845	75%	0.753	S	S	*	*			trans	71.4	155.9	150.6	-82.3	17.1	0	0	0	120.8
300	A	26.6	Very low	32	Very low	89 Å²	89	122.9 Å²	122.9	74%	0.736	75%	0.748	S	S	*	*			cis	-157.3	167.8	-5	0	0	0	0	0	114.1
301	E	30.2	Very low	32.1	Very low	182 Å²	182	119.6 Å²	119.6	85%	0.85	74%	0.744	S	S	*	*			trans	-78.6	-172.2	160.1	-99.4	-174	-164.7	0	0	111.5
302	P	47.4	Very low	30.6	Very low	109 Å²	109	121.1 Å²	121.1	71%	0.708	75%	0.751	S	S	*	*			cis	-148.7	-177.3	19.2	45.6	-25.4	0	0	0	119.7
303	A	28.3	Very low	30.5	Very low	99 Å²	99	122.1 Å²	122.1	82%	0.818	76%	0.756	S	S	*	*			trans	66.9	152.6	147	0	0	0	0	0	121.3
304	G	27	Very low	31.2	Very low	64 Å²	64	122 Å²	122	66%	0.66	76%	0.762	S	S	*	*			cis	153	161.6	-12.7	0	0	0	0	0	115.5
305	N	31.3	Very low	31.2	Very low	146 Å²	146	122.3 Å²	122.3	78%	0.781	76%	0.764	S	S	*	*			trans	68.9	157.2	162.8	-58	-17.6	0	0	0	118.3
306	N	28.4	Very low	32	Very low	130 Å²	130	123.6 Å²	123.6	70%	0.695	77%	0.765	S	S	*	*			cis	-170	159.2	-26.4	-98.2	-23.6	0	0	0	108.8
307	L	26.5	Very low	32.3	Very low	166 Å²	166	121.7 Å²	121.7	87%	0.869	76%	0.756	S	S	*	*				168.5	158.1	119.7	-87.9	166.3	0	0	0	113.3
308	T	25.1	Very low	32.2	Very low	124 Å²	124	125 Å²	125	76%	0.761	76%	0.761	S	S	*	*			trans	-127.7	-156.5	-174.1	55.2	0	0	0	0	108.3
309	P	47	Very low	31	Very low	98 Å²	98	123.2 Å²	123.2	64%	0.636	76%	0.763	S	S	*	*			cis	-143.6	-177.6	-7.1	33.5	-9.6	0	0	0	117.1
310	T	26.1	Very low	31.2	Very low	128 Å²	128	123.4 Å²	123.4	79%	0.785	76%	0.763	S	S	*	*			trans	60	151.2	144.1	43	0	0	0	0	121.3
311	T	25.1	Very low	31.3	Very low	115 Å²	115	125 Å²	125	71%	0.706	77%	0.768	S	S	*	*			cis	-155.1	168.6	-19.6	-44.9	0	0	0	0	105.3
312	T	26.4	Very low	31.1	Very low	130 Å²	130	119.7 Å²	119.7	80%	0.798	76%	0.763	S	S	*	*				164.4	153.9	78.7	-26.9	0	0	0	0	109.7
313	E	26.1	Very low	30.1	Very low	178 Å²	178	123.5 Å²	123.5	83%	0.832	78%	0.776	S	S	*	*			trans	-83.1	175.6	161.3	-78.7	-172.7	127.1	0	0	111.3
314	P	41.7	Very low	29.9	Very low	118 Å²	118	122.2 Å²	122.2	77%	0.766	77%	0.773	S	S	*	*			cis	-141	-170.5	16.2	42.3	-21.3	0	0	0	117.8
315	T	28	Very low	29.8	Very low	129 Å²	129	124.7 Å²	124.7	79%	0.791	78%	0.78	S	S	*	*			trans	-67.7	179.7	162.2	23.5	0	0	0	0	113.2
316	P	47.4	Very low	29.5	Very low	114 Å²	114	125.9 Å²	125.9	74%	0.74	79%	0.785	S	S	*	*			cis	-148.6	-166.2	25.7	45.7	-24.4	0	0	0	118.7
317	A	31.1	Very low	29.3	Very low	79 Å²	79	127.7 Å²	127.7	65%	0.653	79%	0.79	S	S	*	*			trans	68.9	153.4	150.7	0	0	0	0	0	120
318	D	27.9	Very low	29.4	Very low	160 Å²	160	126.4 Å²	126.4	86%	0.856	78%	0.783	S	S	*	*			cis	-153.7	144.8	-10.5	-104.8	-28.4	0	0	0	108.6
319	G	25.7	Very low	29.8	Very low	71 Å²	71	126.4 Å²	126.4	73%	0.732	79%	0.785	S	S	*	*				103.3	163.9	97.3	0	0	0	0	0	112.7
320	L	30.9	Very low	29	Very low	163 Å²	163	126 Å²	126	85%	0.853	79%	0.785	S	S	*	*			cis	-168.4	161.6	-20.9	-123.8	177.3	0	0	0	110.4
321	S	29.6	Very low	30.6	Very low	121 Å²	121	125.7 Å²	125.7	85%	0.846	79%	0.785	S	S	*	*			trans	79.5	149.4	170.8	-36.3	0	0	0	0	118.8
322	G	25.9	Very low	31.9	Very low	71 Å²	71	125.1 Å²	125.1	73%	0.732	78%	0.783	S	S	*	*			cis	167.1	154.3	-13.2	0	0	0	0	0	116.8
323	L	26.7	Very low	32	Very low	189 Å²	189	126.1 Å²	126.1	99%	0.99	78%	0.784	S	S	*	*			trans	65.5	145.5	156.2	-71.9	168.4	0	0	0	124.2
324	G	24.5	Very low	32.2	Very low	72 Å²	72	120.2 Å²	120.2	74%	0.742	77%	0.77	S	S	*	*			trans	110.4	109.8	168.1	0	0	0	0	0	114.3
325	S	25	Very low	32.4	Very low	117 Å²	117	121 Å²	121	82%	0.818	78%	0.775	S	S	*	*			cis	94.1	108.1	24.4	-167.4	0	0	0	0	115.7
326	L	25.3	Very low	32.6	Very low	170 Å²	170	122.4 Å²	122.4	89%	0.89	78%	0.777	S	S	*	*			trans	-179.2	170.1	132.8	-100.1	167.8	0	0	0	112.9
327	E	24.2	Very low	33	Very low	169 Å²	169	122.3 Å²	122.3	79%	0.79	78%	0.776	S	S	*	*			trans	-125.2	153.9	-167.9	-65.2	178.5	85.8	0	0	115
328	L	27.6	Very low	32.8	Very low	138 Å²	138	126.3 Å²	126.3	72%	0.723	78%	0.781	S	S	*	*			trans	58.7	166.1	147.4	-118.4	73.5	0	0	0	119.5
329	P	33.9	Very low	32.8	Very low	125 Å²	125	125.7 Å²	125.7	81%	0.812	78%	0.777	S	S	*	*				-132.3	178.5	57.6	33.7	-12.9	0	0	0	117.5
330	S	29.9	Very low	32.9	Very low	90 Å²	90	125.3 Å²	125.3	63%	0.629	77%	0.773	S	S	*	*			trans	-147.7	-161.8	174.4	-46.9	0	0	0	0	106.4
331	P	58.6	Low	33.4	Very low	120 Å²	120	124.1 Å²	124.1	78%	0.779	78%	0.775	S	S	*	*			cis	-107	-135.1	-23.5	37.4	-17.8	0	0	0	107.6
332	P	53.4	Low	33.2	Very low	103 Å²	103	121.4 Å²	121.4	67%	0.669	77%	0.766	S	S	*	*			cis	-122.5	-148.4	-21.5	35.4	-11.4	0	0	0	110.7
333	D	28.8	Very low	33.2	Very low	152 Å²	152	124.7 Å²	124.7	81%	0.813	77%	0.772	S	S	*	*			cis	-157.2	-176.6	1.5	-140.9	-41.2	0	0	0	112
334	G	30.3	Very low	33.4	Very low	53 Å²	53	120.7 Å²	120.7	55%	0.546	76%	0.759	S	S	.	*			trans	-105.8	-174.5	162.7	0	0	0	0	0	112.7
335	P	45.2	Very low	33.4	Very low	134 Å²	134	124.2 Å²	124.2	87%	0.87	77%	0.766	S	S	*	*			cis	-146.2	-165.1	36.8	42.2	-20.8	0	0	0	116.5
336	L	33	Very low	33.5	Very low	160 Å²	160	124.1 Å²	124.1	84%	0.838	76%	0.76	S	S	*	*			trans	-87.9	-174.8	161.8	-66.6	164.3	0	0	0	110.6
337	P	55.4	Low	33.5	Very low	111 Å²	111	123.7 Å²	123.7	72%	0.721	75%	0.754	S	S	*	*			cis	-125.5	-167.2	-36.1	33.5	-14	0	0	0	111.6
338	E	26.1	Very low	33.7	Very low	163 Å²	163	123.7 Å²	123.7	76%	0.762	75%	0.754	S	S	*	*				167.5	145.1	119.6	-90.3	-157.1	148.7	0	0	116.3
339	I	27.6	Very low	33.4	Very low	147 Å²	147	123 Å²	123	75%	0.754	76%	0.76	S	S	*	*			trans	41.1	135.7	139.1	-55.2	174.3	0	0	0	121.2
340	G	29.9	Very low	33.1	Very low	64 Å²	64	122.5 Å²	122.5	66%	0.66	76%	0.759	S	S	*	*			trans	-134.8	176.5	159.1	0	0	0	0	0	112.9
341	P	40.4	Very low	34.1	Very low	138 Å²	138	122.9 Å²	122.9	90%	0.896	76%	0.76	S	S	*	*			trans	-131.8	172.8	145.6	32.3	-16.3	0	0	0	111.4
342	G	25.8	Very low	32.6	Very low	63 Å²	63	124.8 Å²	124.8	65%	0.649	76%	0.758	S	S	*	*			cis	135.2	153.1	3	0	0	0	0	0	111.4
343	V	26	Very low	31.3	Very low	141 Å²	141	125.8 Å²	125.8	86%	0.855	76%	0.758	S	S	*	*			trans	73.3	122.7	-177.5	-168.5	0	0	0	0	114.5
344	S	29.7	Very low	31.2	Very low	105 Å²	105	124.3 Å²	124.3	73%	0.734	75%	0.754	S	S	*	*			cis	91.5	105.5	5.2	92.3	0	0	0	0	119.7
345	V	24.1	Very low	31.1	Very low	146 Å²	146	129.8 Å²	129.8	89%	0.885	77%	0.766	S	S	*	*			trans	-170	171.9	158.6	132.6	0	0	0	0	108.8
346	V	28.2	Very low	31.2	Very low	114 Å²	114	128.1 Å²	128.1	69%	0.691	75%	0.754	S	S	*	*				-172.6	131.7	-81.3	147.9	0	0	0	0	110.1
347	E	25.6	Very low	31.2	Very low	161 Å²	161	129 Å²	129	75%	0.752	75%	0.754	S	S	*	*			trans	51.5	132	158.2	-70.5	-174.6	125.1	0	0	125.4
348	H	27.4	Very low	29.9	Very low	170 Å²	170	131.9 Å²	131.9	79%	0.787	76%	0.758	S	S	*	*			trans	53.8	119.6	137.7	-74.1	-61.6	0	0	0	124.9
349	S	22.8	Very low	29.9	Very low	122 Å²	122	128 Å²	128	85%	0.853	75%	0.749	S	S	*	*				-167.5	153.1	121.1	59.2	0	0	0	0	114.2
350	S	27.5	Very low	30.1	Very low	115 Å²	115	126.1 Å²	126.1	80%	0.804	74%	0.74	S	S	*	*			trans	-112.5	-170	161.7	-138.7	0	0	0	0	108
351	P	49.4	Very low	30.1	Very low	98 Å²	98	132.7 Å²	132.7	64%	0.636	75%	0.745	S	S	*	*			cis	-150.5	-169.5	23.3	46	-25	0	0	0	118.5
352	H	28.8	Very low	29.7	Very low	160 Å²	160	132.3 Å²	132.3	74%	0.741	73%	0.732	S	S	*	*			trans	65.7	150.6	157	-78	-73.8	0	0	0	119.4
353	D	26.1	Very low	29.9	Very low	124 Å²	124	137.2 Å²	137.2	66%	0.663	73%	0.73	S	S	*	*			cis	-148.6	-170.6	-0.7	-133.9	-9.1	0	0	0	110.1
354	T	26.9	Very low	30.1	Very low	121 Å²	121	140.7 Å²	140.7	74%	0.742	73%	0.728	S	S	*	*			cis	-156.6	172.4	13.4	-15.4	0	0	0	0	110.2
355	H	27.1	Very low	30.2	Very low	169 Å²	169	145.3 Å²	145.3	78%	0.782	74%	0.735	S	S	*	*			trans	-156.5	154.9	167.7	-146.9	-42	0	0	0	112.3
356	P	47.6	Very low	30.8	Very low	98 Å²	98	143.8 Å²	143.8	64%	0.636	73%	0.728	S	S	*	*				-141.9	140	127.8	34.6	-18.9	0	0	0	113.7
357	E	32.2	Very low	30.8	Very low	179 Å²	179	143.2 Å²	143.2	84%	0.836	73%	0.729	S	S	*	*				75.7	142.6	110.4	-61.3	-171.8	131.2	0	0	116.2
358	E	27.8	Very low	31	Very low	172 Å²	172	146.7 Å²	146.7	80%	0.804	74%	0.735	S	S	*	*			cis	-140.1	179.2	17.2	-133.4	-161.4	124.1	0	0	109.6
359	S	27.3	Very low	31	Very low	80 Å²	80	147.9 Å²	147.9	56%	0.559	74%	0.738	S	S	*	*			cis	-158.6	173.4	1.9	-160.8	0	0	0	0	113.4
360	D	30.8	Very low	31.1	Very low	108 Å²	108	149.2 Å²	149.2	58%	0.578	74%	0.741	S	S	*	*			trans	29.9	118.9	152.5	-92	-3.3	0	0	0	125.9
361	R	30.5	Very low	31	Very low	202 Å²	202	146.6 Å²	146.6	76%	0.762	73%	0.732	S	S	*	*				65.1	143.2	124.2	-69.3	178.4	-140	-107.4	-11.9	122
362	E	31.3	Very low	30	Very low	131 Å²	131	153.7 Å²	153.7	61%	0.612	75%	0.746	S	S	*	*			cis	-161.1	161.2	-17.3	-138.7	-159.7	143.2	0	0	110.8
363	R	30.3	Very low	30	Very low	165 Å²	165	150.8 Å²	150.8	62%	0.623	74%	0.744	S	S	*	*			trans	74.9	121.5	151.1	-76.6	175.2	-168	-154.9	-0.2	124
364	R	30.5	Very low	30.1	Very low	215 Å²	215	154.2 Å²	154.2	81%	0.811	76%	0.756	S	S	*	*			trans	82.1	123.4	133.9	-66.2	168	178.8	179.1	-3.9	120.2
365	K	31.5	Very low	30.3	Very low	202 Å²	202	154 Å²	154	88%	0.878	76%	0.76	S	S	*	*			trans	-105.7	154.4	156.1	-66.4	179.3	175.5	174	0	107.6
366	P	37.6	Very low	30.3	Very low	114 Å²	114	149.9 Å²	149.9	74%	0.74	75%	0.754	S	S	*	*				-152.8	161	75.3	41.4	-21.8	0	0	0	118.9
367	S	27.7	Very low	29.3	Very low	101 Å²	101	156.7 Å²	156.7	71%	0.706	77%	0.767	S	S	*	*			trans	56	121.1	142.1	65.4	0	0	0	0	124.3
368	R	29	Very low	28.9	Very low	235 Å²	235	154.2 Å²	154.2	89%	0.887	76%	0.764	S	S	*	*			trans	74.2	110.3	133.4	-72.1	-178.1	170.1	-177.9	-1.3	122
369	K	28.1	Very low	28.7	Very low	195 Å²	195	152.1 Å²	152.1	85%	0.848	76%	0.759	S	S	*	*			trans	76.1	153.2	140.5	-69.6	-168.9	173.4	-172.5	0	119.3
370	V	25.7	Very low	28.6	Very low	149 Å²	149	160.1 Å²	160.1	90%	0.903	78%	0.777	S	S	*	*			trans	70	132.5	-173.7	-166.8	0	0	0	0	112.7
371	G	25.3	Very low	28.3	Very low	61 Å²	61	163.2 Å²	163.2	63%	0.629	79%	0.787	S	S	*	*			cis	136.9	145.2	-12.1	0	0	0	0	0	113.7
372	R	27	Very low	28.1	Very low	247 Å²	247	159.5 Å²	159.5	93%	0.932	79%	0.792	S	S	*	*			trans	67.9	143.5	-178.5	-76.9	178.1	174.2	166.8	-2.4	114.8
373	S	29.1	Very low	27.9	Very low	99 Å²	99	158.1 Å²	158.1	69%	0.692	80%	0.797	S	S	*	*			cis	-153.2	160	-4.9	-82.1	0	0	0	0	109.4
374	E	28.4	Very low	27.8	Very low	195 Å²	195	162.2 Å²	162.2	91%	0.911	81%	0.813	S	S	*	*			trans	-118.6	169	148.1	-76.6	-160.9	111	0	0	110.8
375	S	30.8	Very low	27.7	Very low	118 Å²	118	163.1 Å²	163.1	83%	0.825	82%	0.816	S	S	*	*			trans	-96.2	152	-148.7	-68.5	0	0	0	0	116.4
376	A	27.1	Very low	27.5	Very low	81 Å²	81	164.5 Å²	164.5	67%	0.669	82%	0.816	S	S	*	*			trans	5.3	126.8	150.6	0	0	0	0	0	118.6
377	R	26.7	Very low	27.1	Very low	241 Å²	241	162.5 Å²	162.5	91%	0.909	82%	0.816	S	S	*	*				60.7	140.5	71.9	-60.8	173.4	176.7	164.8	-2.8	112.4
378	V	24.1	Very low	27.1	Very low	127 Å²	127	162.7 Å²	162.7	77%	0.77	82%	0.817	S	S	*	*			cis	-144.4	159.7	36.5	172.2	0	0	0	0	111.7
379	D	24.1	Very low	27	Very low	128 Å²	128	156.2 Å²	156.2	68%	0.684	81%	0.808	S	S	*	*			trans	-33.5	156.4	172.4	-54.9	-108.5	0	0	0	119.5
380	R	24.8	Very low	26.9	Very low	249 Å²	249	158.1 Å²	158.1	94%	0.94	81%	0.81	S	S	*	*			trans	-141.9	130.8	131.7	-113.1	170.9	-166.9	175.4	5.3	113.1
381	H	25.2	Very low	26.9	Very low	172 Å²	172	160.4 Å²	160.4	80%	0.796	81%	0.807	S	S	*	*			trans	-69.8	152.3	176	-68.4	-98.3	0	0	0	112.7
382	S	25.7	Very low	27	Very low	125 Å²	125	166.8 Å²	166.8	87%	0.874	82%	0.821	S	S	*	*			trans	-115.2	139.3	147.1	-175.6	0	0	0	0	109.8
383	S	27.5	Very low	26.9	Very low	102 Å²	102	160.5 Å²	160.5	71%	0.713	82%	0.815	S	S	*	*			trans	-113.2	116.4	-168.8	157	0	0	0	0	111.6	R385	S383-R385 PolarHBondContact O-N 3.27Å
384	R	28.3	Very low	27	Very low	251 Å²	251	166.2 Å²	166.2	95%	0.947	82%	0.821	S	S	*	*			trans	-74.4	116.2	174.6	-66.8	-179.3	176	-177.5	-2.5	112.1
385	R	27.4	Very low	27.1	Very low	234 Å²	234	162 Å²	162	88%	0.883	81%	0.814	S	S	*	*			trans	-126.8	104.5	150.5	-74	-173.4	174.1	-163	-0.2	106.7	S383	S383-R385 PolarHBondContact O-N 3.27Å
386	R	27.4	Very low	27.4	Very low	231 Å²	231	167.7 Å²	167.7	87%	0.872	82%	0.817	S	S	*	*				71	85.8	68.2	-164.1	-177	-153	-91	2.2	112.1
387	G	28.8	Very low	27.6	Very low	72 Å²	72	168.5 Å²	168.5	74%	0.742	82%	0.817	S	S	*	*			trans	-75.4	-177.8	168.2	0	0	0	0	0	113.3
388	S	27.7	Very low	27.8	Very low	104 Å²	104	164.2 Å²	164.2	73%	0.727	81%	0.812	S	S	*	*			trans	-147.4	101.8	-178.3	-152.6	0	0	0	0	115
389	S	26.9	Very low	28.1	Very low	99 Å²	99	164.8 Å²	164.8	69%	0.692	82%	0.816	S	S	*	*			trans	47.2	118.7	130.6	66.4	0	0	0	0	122
390	R	26.6	Very low	28.4	Very low	235 Å²	235	165 Å²	165	89%	0.887	82%	0.817	S	S	*	*				-163.6	111.5	118.9	-105.7	173.6	177.2	-175.4	-2	109.8
391	K	26.3	Very low	28.7	Very low	197 Å²	197	161.2 Å²	161.2	86%	0.857	82%	0.815	S	S	*	*				72.9	99.8	92	-74.2	-161.1	174.5	-165.4	0	114.7
392	Q	26.9	Very low	29	Very low	195 Å²	195	161.7 Å²	161.7	91%	0.911	82%	0.817	S	S	*	*			trans	-72.8	162	156.7	-171.4	177.7	11.5	0	0	110.4
393	S	25.3	Very low	29.4	Very low	115 Å²	115	161.2 Å²	161.2	80%	0.804	81%	0.811	S	S	*	*			trans	-123.4	150.9	169	-165.7	0	0	0	0	111.8
394	R	30.7	Very low	29.6	Very low	219 Å²	219	162.3 Å²	162.3	83%	0.826	82%	0.816	S	S	*	*			trans	-91.7	167.6	175.9	-71.2	169	175.1	161.2	-3.9	109
395	S	30	Very low	29.7	Very low	108 Å²	108	156 Å²	156	76%	0.755	81%	0.81	S	S	*	*			cis	174.5	-179	-16.3	176.4	0	0	0	0	107.5
396	R	37.3	Very low	29.8	Very low	237 Å²	237	149.9 Å²	149.9	89%	0.894	80%	0.804	S	S	*	*			trans	89.9	147.6	169.1	-60.3	176.6	170.6	-171.6	-7.3	116.8
397	S	32.7	Very low	29.9	Very low	97 Å²	97	143.3 Å²	143.3	68%	0.678	80%	0.798	S	S	*	*			cis	-169.3	126.6	-10.6	43.5	0	0	0	0	108.5
398	D	29.9	Very low	29.9	Very low	151 Å²	151	146.4 Å²	146.4	81%	0.807	80%	0.803	S	S	*	*				79.5	110.6	84.8	-161.6	8.3	0	0	0	114.1
399	V	31	Very low	29.9	Very low	139 Å²	139	146.7 Å²	146.7	84%	0.842	81%	0.805	S	S	*	*			trans	-150.3	130	169.9	-179.7	0	0	0	0	109.2
400	D	30.2	Very low	30.4	Very low	132 Å²	132	148.1 Å²	148.1	71%	0.706	81%	0.812	S	S	*	*			trans	-96.6	142.9	-173.4	-133.3	-28.5	0	0	0	112.9
401	L	32.2	Very low	30.4	Very low	171 Å²	171	141.2 Å²	141.2	90%	0.895	81%	0.805	S	S	*	*			trans	-153.7	120.8	155.9	-81.7	-171.6	0	0	0	110.9
402	Q	29.8	Very low	31.6	Very low	181 Å²	181	137.2 Å²	137.2	85%	0.846	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-103.1	146.5	172.7	-67.4	-164.2	-65.2	0	0	112.7
403	P	33.8	Very low	31.5	Very low	115 Å²	115	135.9 Å²	135.9	75%	0.747	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-92.3	159.3	171.5	36.9	-34.6	0	0	0	113.2
404	P	33.7	Very low	31.7	Very low	126 Å²	126	135.8 Å²	135.8	82%	0.818	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-79.8	153.9	171.1	33.3	-34.5	0	0	0	113.2
405	S	28.8	Very low	32.4	Very low	117 Å²	117	130.6 Å²	130.6	82%	0.818	79%	0.791	S	S	*	*			trans	-85	179.9	173.1	-41.5	0	0	0	0	111.4
406	S	30.4	Very low	32.3	Very low	107 Å²	107	134.6 Å²	134.6	75%	0.748	80%	0.798	S	S	*	*			cis	-171.2	154	20.3	47.1	0	0	0	0	113.2
407	A	29.5	Very low	32	Very low	92 Å²	92	131.9 Å²	131.9	76%	0.76	80%	0.795	S	S	*	*			trans	66.3	160.4	155.3	0	0	0	0	0	117.8
408	T	28.2	Very low	31.7	Very low	137 Å²	137	135.1 Å²	135.1	84%	0.84	80%	0.804	S	S	*	*			cis	-148.7	153.8	6.6	-31.5	0	0	0	0	110.9
409	S	27.8	Very low	31.8	Very low	110 Å²	110	136.5 Å²	136.5	77%	0.769	81%	0.806	S	S	*	*			trans	-87	166.7	167.4	-33	0	0	0	0	111
410	P	36.5	Very low	32.7	Very low	130 Å²	130	134.7 Å²	134.7	84%	0.844	80%	0.797	S	S	*	*				-143.6	-177.9	54.6	40.9	-20.9	0	0	0	116.7
411	A	28.7	Very low	32.7	Very low	90 Å²	90	136.2 Å²	136.2	74%	0.744	80%	0.804	S	S	*	*			trans	-110.8	-174.8	168.6	0	0	0	0	0	109.5
412	P	49.8	Very low	32.6	Very low	112 Å²	112	135.2 Å²	135.2	73%	0.727	80%	0.799	S	S	*	*			cis	-131.1	-179.4	-4.6	42.8	-27.5	0	0	0	114.3
413	L	25.6	Very low	32.5	Very low	168 Å²	168	130 Å²	130	88%	0.88	80%	0.795	S	S	*	*			trans	169.5	155.4	135.3	-93.4	168.1	0	0	0	112
414	S	28.6	Very low	33	Very low	112 Å²	112	130.6 Å²	130.6	78%	0.783	80%	0.798	S	S	*	*			trans	-139.7	173.5	171.9	-47.2	0	0	0	0	108.6
415	P	46.5	Very low	32.8	Very low	110 Å²	110	128.1 Å²	128.1	71%	0.714	79%	0.789	S	S	*	*			cis	-127.9	177.6	-12	41.5	-27.7	0	0	0	113.4
416	Q	28.2	Very low	32.9	Very low	192 Å²	192	132.2 Å²	132.2	90%	0.897	79%	0.792	S	S	*	*			trans	177.7	169.1	133.6	-99.2	166.8	58.8	0	0	113.8
417	H	30	Very low	33.7	Very low	181 Å²	181	132.5 Å²	132.5	84%	0.838	79%	0.791	S	S	*	*			trans	-70.2	154.1	-173	-79.7	-125.3	0	0	0	115.2
418	L	27.6	Very low	33.8	Very low	165 Å²	165	134.2 Å²	134.2	86%	0.864	80%	0.798	S	S	*	*				179.6	147.5	111.4	-93.4	164.1	0	0	0	113.7
419	H	31.6	Very low	33.9	Very low	180 Å²	180	136.4 Å²	136.4	83%	0.833	80%	0.799	S	S	*	*			trans	-123.8	179.5	166.2	-98.8	-97.7	0	0	0	107.1
420	P	49	Very low	34.1	Very low	101 Å²	101	137.3 Å²	137.3	66%	0.656	80%	0.799	S	S	*	*			cis	-129.1	-173.1	-7	41.4	-26	0	0	0	113.5
421	L	30	Very low	34.6	Very low	163 Å²	163	137.1 Å²	137.1	85%	0.853	80%	0.798	S	S	*	*			trans	-177.1	163.3	131.6	-103.2	161.3	0	0	0	113
422	D	30.8	Very low	34.6	Very low	150 Å²	150	136.8 Å²	136.8	80%	0.802	80%	0.803	S	S	*	*			trans	-97.1	178.4	-159.5	-57.7	-84.7	0	0	0	117.3
423	G	27.2	Very low	33.9	Very low	73 Å²	73	138.9 Å²	138.9	75%	0.753	80%	0.803	S	S	*	*			trans	-87.6	-141.1	-178.7	0	0	0	0	0	115.5
424	P	45.3	Very low	34.6	Very low	126 Å²	126	136.8 Å²	136.8	82%	0.818	80%	0.8	S	S	*	*			cis	-142.8	178	2.4	43.8	-25.3	0	0	0	117.8
425	A	29.4	Very low	35.3	Very low	75 Å²	75	136.1 Å²	136.1	62%	0.62	79%	0.793	S	S	*	*			trans	66	107.7	141	0	0	0	0	0	125.7
426	F	29.4	Very low	34.6	Very low	202 Å²	202	136.1 Å²	136.1	89%	0.886	79%	0.791	S	S	*	*			trans	62.2	175.4	133.7	-55.7	-56.9	0	0	0	121.8
427	P	49.2	Very low	34.7	Very low	113 Å²	113	132.3 Å²	132.3	73%	0.734	79%	0.786	S	S	*	*				-131.6	179.4	-64.7	40.6	-26.2	0	0	0	114.3
428	S	30.9	Very low	35	Very low	129 Å²	129	129.2 Å²	129.2	90%	0.902	78%	0.781	S	S	*	*			trans	-160.7	163.4	163.1	-82.4	0	0	0	0	113.3
429	E	30.4	Very low	35.1	Very low	183 Å²	183	126.3 Å²	126.3	86%	0.855	78%	0.775	S	S	*	*			trans	-109.8	140	-158	-61.6	177.5	97.1	0	0	115.9
430	V	31.7	Very low	35.5	Very low	129 Å²	129	123.5 Å²	123.5	78%	0.782	77%	0.773	S	S	*	*				52.5	153.2	122.3	-176.1	0	0	0	0	120.1
431	P	45.9	Very low	34.8	Very low	125 Å²	125	127.6 Å²	127.6	81%	0.812	78%	0.783	S	S	*	*			cis	-121	169.8	-13.7	31.3	-13.8	0	0	0	115
432	G	30.4	Very low	35.3	Very low	83 Å²	83	127.6 Å²	127.6	86%	0.856	78%	0.783	S	S	*	*			trans	163.9	71.2	161	0	0	0	0	0	117.5
433	Q	34.9	Very low	36.5	Very low	157 Å²	157	125.1 Å²	125.1	73%	0.734	77%	0.766	S	S	*	*			trans	-107.2	149.1	173.3	-122.7	-179.1	10.5	0	0	111.5
434	P	39.4	Very low	37.9	Very low	123 Å²	123	130.6 Å²	130.6	80%	0.799	77%	0.772	S	S	*	*				-130.9	172.7	95.1	34.4	-20.8	0	0	0	112.5
435	P	44.2	Very low	38.7	Very low	99 Å²	99	128.2 Å²	128.2	64%	0.643	75%	0.752	S	S	*	*			trans	-101.6	148.7	-134.3	2.2	17.3	0	0	0	117.7
436	T	30.8	Very low	41	Very low	110 Å²	110	126.3 Å²	126.3	68%	0.675	73%	0.732	S	S	*	*				39	95.6	126.4	-37.1	0	0	0	0	117.8
437	S	29.8	Very low	43.3	Very low	112 Å²	112	121.7 Å²	121.7	78%	0.783	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-69.3	136.9	136.8	-54.3	0	0	0	0	108	S439	S437-S439 PolarHBondContact O-N 3.38Å
438	P	38.3	Very low	44.7	Very low	115 Å²	115	118.5 Å²	118.5	75%	0.747	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-66.2	129.5	175.3	27.7	-33	0	0	0	109.4
439	S	28.7	Very low	47.3	Very low	104 Å²	104	112.6 Å²	112.6	73%	0.727	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-56.7	144.1	159.5	-60.4	0	0	0	0	108.5	S437 Q441	S437-S439 PolarHBondContact O-N 3.38Å; S439-Q441 PolarHBondContact O-N 3.1Å; S439-Q441 VanDerWaalsContact O-N 3.12Å
440	P	39.2	Very low	49.8	Very low	122 Å²	122	108.7 Å²	108.7	79%	0.792	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-57.2	124.5	169.3	26	-33.1	0	0	0	107.8	L442	P440-L442 PolarHBondContact O-N 2.89Å
441	Q	34.7	Very low	52.3	Low	187 Å²	187	106.2 Å²	106.2	87%	0.874	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-59.7	131	168	-64.7	175.9	-85.3	0	0	106.5	S439 E443	S439-Q441 PolarHBondContact O-N 3.1Å; S439-Q441 VanDerWaalsContact O-N 3.12Å; Q441-E443 PolarHBondContact O-N 2.96Å
442	L	41.7	Very low	54.3	Low	162 Å²	162	100.2 Å²	100.2	85%	0.848	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-57.1	123.8	154.5	-102.6	71	0	0	0	105.3	P440 E444	P440-L442 PolarHBondContact O-N 2.89Å; L442-E444 PolarHBondContact O-N 3.12Å; L442-E444 VanDerWaalsContact O-N 3.09Å
443	E	54.4	Low	56.9	Low	98 Å²	98	98.6 Å²	98.6	46%	0.458	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-59.4	116.5	161	-71.1	-177.4	118.7	0	0	106.2	Q441 I445 K607	Q441-E443 PolarHBondContact O-N 2.96Å; E443-I445 VanDerWaalsContact C-N 3.27Å; E443-I445 PolarHBondContact O-N 3.26Å; E443-K607 IonicContact OE1-NZ 3.24Å; E443-K607 PolarHBondContact OE1-NZ 2.71Å; E443-K607 IonicContact OE2-NZ 3.74Å; E443-K607 PolarHBondContact OE2-NZ 2.7Å
444	E	57	Low	59.3	Low	188 Å²	188	97.9 Å²	97.9	88%	0.879	54%	0.543	S	S	*	.			trans	-62.8	97.6	166.5	-72.6	-177.8	127.9	0	0	107	L442 D446	L442-E444 PolarHBondContact O-N 3.12Å; L442-E444 VanDerWaalsContact O-N 3.09Å; E444-D446 PolarHBondContact O-N 2.84Å
445	I	62.8	Low	61.4	Low	76 Å²	76	96.6 Å²	96.6	39%	0.39	53%	0.53	S	S	.	.			trans	-63.7	123.2	171.9	-62	175.6	0	0	0	106	E443 L449 Q450	E443-I445 VanDerWaalsContact C-N 3.27Å; E443-I445 PolarHBondContact O-N 3.26Å; I445-L449 HydrophobicContact CG2-CD2 4.43Å; I445-L449 HydrophobicContact CG2-CG 4.48Å; I445-Q450 HydrophobicContact CG2-CB 4.3Å
446	D	78.4	Confident	63.4	Low	36 Å²	36	93.7 Å²	93.7	19%	0.193	51%	0.511	C	S	.	.			trans	-49.8	128.6	178.7	168.1	-106.6	0	0	0	111.2	E444 R448 L449 Q450 W501	E444-D446 PolarHBondContact O-N 2.84Å; D446-R448 PolarHBondContact O-N 2.98Å; D446-R448 VanDerWaalsContact O-N 3.12Å; D446-R448 WeakPolarHBondContact OD1-CA 3.28Å; D446-R448 WeakPolarHBondContact OD1-CB 3.46Å; D446-R448 PolarHBondContact OD1-N 3.18Å; D446-R448 VanDerWaalsContact OD1-N 3.09Å; D446-L449 HydrophobicContact CB-CB 4.26Å; D446-L449 PolarHBondContact O-N 3.03Å; D446-L449 VanDerWaalsContact O-N 3.08Å; D446-L449 PolarHBondContact OD1-N 3.19Å; D446-Q450 PolarHBondContact O-N 3.39Å; D446-W501 HydrophobicContact CB-CD2 3.83Å; D446-W501 VanDerWaalsContact CB-CE2 3.42Å; D446-W501 HydrophobicContact CB-CE3 4.5Å; D446-W501 HydrophobicContact CB-CG 4.09Å; D446-W501 HydrophobicContact CB-CH2 4.45Å; D446-W501 HydrophobicContact CB-CZ2 3.78Å; D446-W501 PolarHBondContact OD1-NE1 3.4Å
447	P	77.4	Confident	66	Low	105 Å²	105	92.5 Å²	92.5	68%	0.682	51%	0.505	S	S	*	.	H	α-helix	trans	-56.5	-30.8	-177.3	-28.8	36	0	0	0	113.9	Q450 E451	P447-Q450 PolarHBondContact O-N 3.41Å; P447-E451 PolarHBondContact O-N 3.49Å
448	R	78.8	Confident	68.8	Low	46 Å²	46	90.5 Å²	90.5	17%	0.174	49%	0.491	C	S	.	.	H	α-helix	trans	-71.6	-43.2	177.9	-144.8	178.2	90.5	179	9.9	111	D446 Q450 E451 L452 I529 D530 Y533	D446-R448 PolarHBondContact O-N 2.98Å; D446-R448 VanDerWaalsContact O-N 3.12Å; D446-R448 WeakPolarHBondContact OD1-CA 3.28Å; D446-R448 WeakPolarHBondContact OD1-CB 3.46Å; D446-R448 PolarHBondContact OD1-N 3.18Å; D446-R448 VanDerWaalsContact OD1-N 3.09Å; R448-Q450 VanDerWaalsContact C-N 3.25Å; R448-Q450 PolarHBondContact O-N 3.07Å; R448-E451 PolarHBondContact O-N 2.73Å; R448-L452 HydrophobicContact CG-CD1 4.44Å; R448-L452 WeakPolarHBondContact O-CB 3.48Å; R448-L452 WeakPolarHBondContact O-CD1 3.37Å; R448-L452 WeakPolarHBondContact O-CG 3.41Å; R448-L452 PolarHBondContact O-N 3.5Å; R448-I529 PolarHBondContact NH2-O 3.29Å; R448-D530 IonicContact CZ-OD1 3.87Å; R448-D530 IonicContact NH1-OD1 3.46Å; R448-D530 PolarHBondContact NH1-OD1 2.83Å; R448-D530 IonicContact NH2-OD1 2.82Å; R448-Y533 HydrophobicContact CG-CD2 4.48Å; R448-Y533 HydrophobicContact CG-CE2 3.84Å; R448-Y533 VanDerWaalsContact CZ-CG 3.45Å
449	L	84.1	Confident	71.2	Confident	5 Å²	5	85.8 Å²	85.8	3%	0.026	46%	0.458	C	S	.	.	H	α-helix	trans	-61.5	-34.6	170.7	-179.2	58.1	0	0	0	112	I445 D446 L452 E453 R494 V498 W501	I445-L449 HydrophobicContact CG2-CD2 4.43Å; I445-L449 HydrophobicContact CG2-CG 4.48Å; D446-L449 HydrophobicContact CB-CB 4.26Å; D446-L449 PolarHBondContact O-N 3.03Å; D446-L449 VanDerWaalsContact O-N 3.08Å; D446-L449 PolarHBondContact OD1-N 3.19Å; L449-L452 PolarHBondContact O-N 2.92Å; L449-E453 PolarHBondContact O-N 3.33Å; L449-E453 VanDerWaalsContact O-N 3.11Å; L449-R494 HydrophobicContact CD1-CG 4.13Å; L449-V498 HydrophobicContact CD1-CG2 3.84Å; L449-W501 HydrophobicContact CD2-CB 4.03Å
450	Q	83.6	Confident	74.1	Confident	101 Å²	101	85.9 Å²	85.9	47%	0.472	44%	0.443	S	S	.	.	H	α-helix	trans	-72.2	-28.5	177.4	-172.1	55.5	87.3	0	0	113.5	I445 D446 P447 R448	I445-Q450 HydrophobicContact CG2-CB 4.3Å; D446-Q450 PolarHBondContact O-N 3.39Å; P447-Q450 PolarHBondContact O-N 3.41Å; R448-Q450 VanDerWaalsContact C-N 3.25Å; R448-Q450 PolarHBondContact O-N 3.07Å
451	E	84.2	Confident	76.6	Confident	76 Å²	76	85.8 Å²	85.8	36%	0.355	44%	0.439	S	S	.	.	H	α-helix	trans	-67.3	-51.4	164.2	-172.6	-177.6	161.8	0	0	110.4	P447 R448 E453 Q454 K540	P447-E451 PolarHBondContact O-N 3.49Å; R448-E451 PolarHBondContact O-N 2.73Å; E451-E453 VanDerWaalsContact C-N 3.27Å; E451-E453 PolarHBondContact O-N 3.02Å; E451-E453 VanDerWaalsContact O-N 3.16Å; E451-Q454 WeakPolarHBondContact O-CB 3.25Å; E451-Q454 PolarHBondContact O-N 2.9Å; E451-K540 IonicContact OE1-NZ 3.17Å; E451-K540 PolarHBondContact OE1-NZ 2.92Å
452	L	87.7	Confident	79.1	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-68.3	-12.4	-171.5	-67.8	165.4	0	0	0	115.5	R448 L449 Q454 H490 V493 R494 Y536	R448-L452 HydrophobicContact CG-CD1 4.44Å; R448-L452 WeakPolarHBondContact O-CB 3.48Å; R448-L452 WeakPolarHBondContact O-CD1 3.37Å; R448-L452 WeakPolarHBondContact O-CG 3.41Å; R448-L452 PolarHBondContact O-N 3.5Å; L449-L452 PolarHBondContact O-N 2.92Å; L452-Q454 VanDerWaalsContact C-N 3.3Å; L452-H490 PolarHBondContact O-CE1 3.29Å; L452-V493 HydrophobicContact CD1-CG1 3.8Å; L452-V493 HydrophobicContact CD2-CG1 4.29Å; L452-R494 HydrophobicContact CB-CB 3.98Å; L452-R494 HydrophobicContact CB-CG 3.87Å; L452-R494 WeakPolarHBondContact O-CD 3.37Å; L452-R494 VanDerWaalsContact O-CG 3.26Å; L452-R494 WeakPolarHBondContact O-CG 3.45Å; L452-Y536 HydrophobicContact CD2-CE1 4.47Å
453	E	85	Confident	81.4	Confident	49 Å²	49	72.4 Å²	72.4	23%	0.229	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-11.3	168.8	-77.3	-67.7	165.2	0	0	113.6	L449 E451 D455 R494 R611	L449-E453 PolarHBondContact O-N 3.33Å; L449-E453 VanDerWaalsContact O-N 3.11Å; E451-E453 VanDerWaalsContact C-N 3.27Å; E451-E453 PolarHBondContact O-N 3.02Å; E451-E453 VanDerWaalsContact O-N 3.16Å; E453-D455 PolarHBondContact O-N 3.21Å; E453-R494 WeakPolarHBondContact OE1-CD 3.49Å; E453-R494 IonicContact OE1-CZ 3.99Å; E453-R494 IonicContact OE1-NE 2.66Å; E453-R494 PolarHBondContact OE1-NE 3.33Å; E453-R494 IonicContact OE1-NH2 3.88Å; E453-R494 IonicContact OE2-NE 2.86Å; E453-R494 PolarHBondContact OE2-NE 3.14Å; E453-R611 IonicContact OE2-CZ 3.81Å; E453-R611 IonicContact OE2-NE 3.44Å; E453-R611 PolarHBondContact OE2-NE 3.36Å; E453-R611 IonicContact OE2-NH2 2.65Å; E453-R611 PolarHBondContact OE2-NH2 3.03Å
454	Q	85.6	Confident	83	Confident	141 Å²	141	70.6 Å²	70.6	66%	0.659	37%	0.373	S	S	*	.	S	Bend	trans	-88.5	100.2	171.4	-67	177	80.7	0	0	110.2	E451 L452 H490	E451-Q454 WeakPolarHBondContact O-CB 3.25Å; E451-Q454 PolarHBondContact O-N 2.9Å; L452-Q454 VanDerWaalsContact C-N 3.3Å; Q454-H490 PolarHBondContact O-CE1 3.22Å
455	D	82.7	Confident	84.3	Confident	97 Å²	97	65.1 Å²	65.1	52%	0.519	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-59.9	129.9	178.4	-65.4	-37.9	0	0	0	110.6	E453 R611	E453-D455 PolarHBondContact O-N 3.21Å; D455-R611 IonicContact OD1-CZ 2.78Å; D455-R611 IonicContact OD1-NH1 3.98Å; D455-R611 PolarHBondContact OD1-NH1 2.86Å; D455-R611 IonicContact OD1-NH2 3.48Å; D455-R611 PolarHBondContact OD1-NH2 2.75Å; D455-R611 IonicContact OD2-CZ 3.47Å; D455-R611 IonicContact OD2-NH1 2.65Å; D455-R611 PolarHBondContact OD2-NH1 3.23Å; D455-R611 VanDerWaalsContact OD2-NH1 3.14Å; D455-R611 IonicContact OD2-NH2 2.71Å
456	P	86.8	Confident	85.3	Confident	38 Å²	38	66.2 Å²	66.2	25%	0.247	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-71.5	143.2	-164.4	25.6	-35.6	0	0	0	113.2	F486 H490	P456-F486 HydrophobicContact CB-CE1 3.84Å; P456-F486 HydrophobicContact CB-CZ 4.29Å; P456-F486 HydrophobicContact CG-CE1 3.77Å; P456-F486 HydrophobicContact CG-CZ 4.42Å; P456-H490 WeakPolarHBondContact CD-ND1 3.42Å; P456-H490 HydrophobicContact CG-CB 4.42Å
457	P	84.9	Confident	85.7	Confident	84 Å²	84	67.1 Å²	67.1	55%	0.545	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-61.7	144.8	-176.3	17.2	-26.4	0	0	0	113.7	W459 L462	P457-W459 PolarHBondContact O-N 2.7Å; P457-L462 HydrophobicContact CB-CD1 4.18Å; P457-L462 HydrophobicContact CB-CD2 4.17Å; P457-L462 HydrophobicContact CB-CG 4.39Å; P457-L462 HydrophobicContact CG-CD1 4Å; P457-L462 HydrophobicContact CG-CD2 4.15Å
458	S	88.1	Confident	86.2	Confident	70 Å²	70	64.4 Å²	64.4	49%	0.49	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-59.1	128.3	-178.6	178.8	0	0	0	0	111.7	R460 V461	S458-R460 PolarHBondContact O-N 3.46Å; S458-R460 VanDerWaalsContact O-N 3.1Å; S458-V461 WeakPolarHBondContact O-CB 3.5Å; S458-V461 PolarHBondContact O-N 3.14Å
459	W	90.1	Very high	86.6	Confident	16 Å²	16	68.7 Å²	68.7	6%	0.061	37%	0.369	C	S	.	.	H	α-helix	trans	-56.8	-30.2	-177.1	72.6	-87.8	0	0	0	113.7	P457 V461 L462 A463 L468 L471 Q479 E480 N483 V549	P457-W459 PolarHBondContact O-N 2.7Å; W459-V461 PolarHBondContact O-N 3.3Å; W459-L462 PolarHBondContact O-N 3.26Å; W459-L462 VanDerWaalsContact O-N 3.12Å; W459-A463 HydrophobicContact CE3-CB 4.39Å; W459-A463 WeakPolarHBondContact O-CB 3.13Å; W459-A463 PolarHBondContact O-N 3.44Å; W459-L468 HydrophobicContact CE3-CD2 4.14Å; W459-L468 HydrophobicContact CH2-CD2 4.04Å; W459-L468 HydrophobicContact CZ3-CD2 3.48Å; W459-L468 VanDerWaalsContact CZ3-CD2 3.48Å; W459-L471 HydrophobicContact CH2-CD1 4.1Å; W459-L471 HydrophobicContact CZ3-CD1 4.09Å; W459-Q479 HydrophobicContact CE3-CB 4.49Å; W459-Q479 HydrophobicContact CH2-CB 3.53Å; W459-Q479 HydrophobicContact CH2-CG 4.28Å; W459-Q479 HydrophobicContact CZ2-CB 3.8Å; W459-Q479 HydrophobicContact CZ3-CB 3.91Å; W459-Q479 HydrophobicContact CZ3-CG 4.33Å; W459-E480 HydrophobicContact CZ2-CG 4.26Å; W459-N483 VanDerWaalsContact CB-OD1 3.25Å; W459-N483 WeakPolarHBondContact CB-OD1 3.45Å; W459-N483 VanDerWaalsContact CD1-CB 3.48Å; W459-N483 VanDerWaalsContact CD1-CG 3.4Å; W459-N483 HydrophobicContact CG-CB 4.06Å; W459-N483 VanDerWaalsContact CG-CG 3.44Å; W459-V549 HydrophobicContact CZ3-CG2 4.49Å
460	R	89.4	Confident	86.8	Confident	107 Å²	107	75 Å²	75	40%	0.404	40%	0.403	S	S	.	.	H	α-helix	trans	-69.2	-11.9	176	-68.8	-180	161.9	126	-2.8	114.4	S458 L468 T476 E480	S458-R460 PolarHBondContact O-N 3.46Å; S458-R460 VanDerWaalsContact O-N 3.1Å; R460-L468 HydrophobicContact CG-CD2 4.38Å; R460-L468 WeakPolarHBondContact O-CD1 3.47Å; R460-T476 VanDerWaalsContact NH2-CG2 3.33Å; R460-E480 IonicContact CZ-OE1 3.81Å; R460-E480 VanDerWaalsContact CZ-OE1 3.25Å; R460-E480 IonicContact NH1-OE1 2.86Å; R460-E480 PolarHBondContact NH1-OE1 3.18Å; R460-E480 IonicContact NH2-OE1 2.74Å; R460-E480 PolarHBondContact NH2-OE1 2.89Å
461	V	90.3	Very high	87.2	Confident	120 Å²	120	71.8 Å²	71.8	73%	0.727	39%	0.389	S	S	*	.	H	α-helix	trans	-95.8	-22.2	173.2	-176.4	0	0	0	0	111.1	S458 W459	S458-V461 WeakPolarHBondContact O-CB 3.5Å; S458-V461 PolarHBondContact O-N 3.14Å; W459-V461 PolarHBondContact O-N 3.3Å
462	L	89	Confident	87.6	Confident	61 Å²	61	70.3 Å²	70.3	32%	0.319	39%	0.393	S	S	.	.	H	α-helix	trans	-97.9	-34.2	-175.2	-53.8	172.4	0	0	0	112.8	P457 W459 Y548	P457-L462 HydrophobicContact CB-CD1 4.18Å; P457-L462 HydrophobicContact CB-CD2 4.17Å; P457-L462 HydrophobicContact CB-CG 4.39Å; P457-L462 HydrophobicContact CG-CD1 4Å; P457-L462 HydrophobicContact CG-CD2 4.15Å; W459-L462 PolarHBondContact O-N 3.26Å; W459-L462 VanDerWaalsContact O-N 3.12Å; L462-Y548 HydrophobicContact CB-CD1 3.9Å; L462-Y548 HydrophobicContact CB-CD2 3.46Å; L462-Y548 VanDerWaalsContact CB-CD2 3.46Å; L462-Y548 HydrophobicContact CB-CE1 4.12Å; L462-Y548 HydrophobicContact CB-CE2 3.71Å; L462-Y548 HydrophobicContact CB-CG 3.56Å; L462-Y548 HydrophobicContact CD1-CD1 3.71Å; L462-Y548 HydrophobicContact CD1-CE1 3.52Å; L462-Y548 HydrophobicContact CD1-CE2 4.49Å; L462-Y548 HydrophobicContact CD1-CG 4.27Å; L462-Y548 HydrophobicContact CG-CD1 4.48Å; L462-Y548 HydrophobicContact CG-CE1 4.41Å
463	A	89.4	Confident	87.9	Confident	7 Å²	7	77.2 Å²	77.2	6%	0.058	42%	0.423	C	S	.	.	S	Bend	trans	-71.3	146.8	174	0	0	0	0	0	111.2	W459 L468 V549	W459-A463 HydrophobicContact CE3-CB 4.39Å; W459-A463 WeakPolarHBondContact O-CB 3.13Å; W459-A463 PolarHBondContact O-N 3.44Å; A463-L468 HydrophobicContact CB-CD1 4.15Å; A463-L468 HydrophobicContact CB-CD2 4.06Å; A463-L468 HydrophobicContact CB-CG 3.99Å; A463-V549 HydrophobicContact CB-CG2 3.85Å
464	S	88.3	Confident	88.3	Confident	59 Å²	59	78.4 Å²	78.4	41%	0.413	43%	0.428	S	S	.	.			trans	-63.9	142.3	-177.8	103.3	0	0	0	0	112	D466 T467 L468	S464-D466 PolarHBondContact O-N 2.82Å; S464-D466 PolarHBondContact OG-N 2.84Å; S464-T467 PolarHBondContact O-N 2.81Å; S464-T467 WeakPolarHBondContact OG-CB 3.4Å; S464-T467 PolarHBondContact OG-N 2.86Å; S464-T467 PolarHBondContact OG-OG1 3.38Å; S464-L468 WeakPolarHBondContact O-CG 3.41Å; S464-L468 PolarHBondContact O-N 3.3Å
465	S	83.4	Confident	88.8	Confident	74 Å²	74	73.8 Å²	73.8	52%	0.517	41%	0.406	S	S	.	.	H	α-helix	trans	-58.2	-31.4	-179.9	-173.8	0	0	0	0	112.8	K469	S465-K469 WeakPolarHBondContact O-CD 3.48Å; S465-K469 WeakPolarHBondContact O-CE 3.46Å; S465-K469 VanDerWaalsContact O-CG 3.24Å; S465-K469 WeakPolarHBondContact O-CG 3.39Å; S465-K469 PolarHBondContact O-N 3.4Å; S465-K469 WeakPolarHBondContact OG-CE 3.46Å; S465-K469 PolarHBondContact OG-NZ 3.22Å; S465-K469 VanDerWaalsContact OG-NZ 3.11Å
466	D	84.3	Confident	89.4	Confident	99 Å²	99	70.8 Å²	70.8	53%	0.529	39%	0.392	S	S	.	.	H	α-helix	trans	-85.5	-30.4	-178.7	-60.4	-44	0	0	0	112.3	S464 K469 N470	S464-D466 PolarHBondContact O-N 2.82Å; S464-D466 PolarHBondContact OG-N 2.84Å; D466-K469 IonicContact OD1-NZ 3.59Å; D466-K469 PolarHBondContact OD1-NZ 3.42Å; D466-N470 PolarHBondContact O-N 3.34Å; D466-N470 PolarHBondContact O-ND2 2.79Å
467	T	86.8	Confident	89.9	Confident	55 Å²	55	73 Å²	73	34%	0.337	40%	0.397	S	S	.	.	H	α-helix	trans	-61.3	-48.1	166.5	-46.9	0	0	0	0	110	S464 K469 N470 L471 V549	S464-T467 PolarHBondContact O-N 2.81Å; S464-T467 WeakPolarHBondContact OG-CB 3.4Å; S464-T467 PolarHBondContact OG-N 2.86Å; S464-T467 PolarHBondContact OG-OG1 3.38Å; T467-K469 PolarHBondContact O-N 3.16Å; T467-N470 PolarHBondContact O-N 3.01Å; T467-N470 VanDerWaalsContact O-N 3.07Å; T467-L471 HydrophobicContact CG2-CD2 4.39Å; T467-L471 WeakPolarHBondContact O-CG 3.3Å; T467-L471 PolarHBondContact O-N 3.3Å; T467-V549 HydrophobicContact CG2-CB 4.27Å; T467-V549 HydrophobicContact CG2-CG1 4.37Å; T467-V549 HydrophobicContact CG2-CG2 3.82Å
468	L	87.1	Confident	90.5	Very high	47 Å²	47	69.4 Å²	69.4	25%	0.246	37%	0.373	C	S	.	.	H	α-helix	trans	-61.2	-37	-177.9	-73.1	168.3	0	0	0	113.7	W459 R460 A463 S464 N470 L471	W459-L468 HydrophobicContact CE3-CD2 4.14Å; W459-L468 HydrophobicContact CH2-CD2 4.04Å; W459-L468 HydrophobicContact CZ3-CD2 3.48Å; W459-L468 VanDerWaalsContact CZ3-CD2 3.48Å; R460-L468 HydrophobicContact CG-CD2 4.38Å; R460-L468 WeakPolarHBondContact O-CD1 3.47Å; A463-L468 HydrophobicContact CB-CD1 4.15Å; A463-L468 HydrophobicContact CB-CD2 4.06Å; A463-L468 HydrophobicContact CB-CG 3.99Å; S464-L468 WeakPolarHBondContact O-CG 3.41Å; S464-L468 PolarHBondContact O-N 3.3Å; L468-N470 VanDerWaalsContact C-N 3.25Å; L468-N470 PolarHBondContact O-N 2.98Å; L468-L471 HydrophobicContact CD2-CD1 4.27Å
469	K	87.8	Confident	90.9	Very high	136 Å²	136	66.1 Å²	66.1	59%	0.591	35%	0.35	S	S	*	.	H	α-helix	trans	-66.9	-25.7	175.7	-70.5	160.7	-156.1	156.7	0	113.3	S465 D466 T467	S465-K469 WeakPolarHBondContact O-CD 3.48Å; S465-K469 WeakPolarHBondContact O-CE 3.46Å; S465-K469 VanDerWaalsContact O-CG 3.24Å; S465-K469 WeakPolarHBondContact O-CG 3.39Å; S465-K469 PolarHBondContact O-N 3.4Å; S465-K469 WeakPolarHBondContact OG-CE 3.46Å; S465-K469 PolarHBondContact OG-NZ 3.22Å; S465-K469 VanDerWaalsContact OG-NZ 3.11Å; D466-K469 IonicContact OD1-NZ 3.59Å; D466-K469 PolarHBondContact OD1-NZ 3.42Å; T467-K469 PolarHBondContact O-N 3.16Å
470	N	89.3	Confident	91.2	Very high	138 Å²	138	68 Å²	68	74%	0.738	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-0.8	-173.9	-69.2	-32.7	0	0	0	113.4	D466 T467 L468	D466-N470 PolarHBondContact O-N 3.34Å; D466-N470 PolarHBondContact O-ND2 2.79Å; T467-N470 PolarHBondContact O-N 3.01Å; T467-N470 VanDerWaalsContact O-N 3.07Å; L468-N470 VanDerWaalsContact C-N 3.25Å; L468-N470 PolarHBondContact O-N 2.98Å
471	L	90.9	Very high	91.6	Very high	34 Å²	34	63.2 Å²	63.2	18%	0.178	34%	0.342	C	S	.	.			trans	-74.9	129.2	175.6	-56.2	-173.7	0	0	0	111.1	W459 T467 L468 E475 T476 Q479 V549	W459-L471 HydrophobicContact CH2-CD1 4.1Å; W459-L471 HydrophobicContact CZ3-CD1 4.09Å; T467-L471 HydrophobicContact CG2-CD2 4.39Å; T467-L471 WeakPolarHBondContact O-CG 3.3Å; T467-L471 PolarHBondContact O-N 3.3Å; L468-L471 HydrophobicContact CD2-CD1 4.27Å; L471-E475 HydrophobicContact CD2-CG 4.17Å; L471-T476 WeakPolarHBondContact CB-OG1 3.47Å; L471-Q479 HydrophobicContact CD1-CG 4.49Å; L471-V549 HydrophobicContact CD1-CG1 4.46Å; L471-V549 HydrophobicContact CD2-CG1 3.9Å
472	G	92.6	Very high	92	Very high	44 Å²	44	57.6 Å²	57.6	45%	0.454	31%	0.308	S	S	.	.			trans	-64.9	159.7	168.2	0	0	0	0	0	111.8	K474 E475 T476	G472-K474 VanDerWaalsContact C-N 3.3Å; G472-K474 PolarHBondContact O-N 3.08Å; G472-E475 PolarHBondContact O-N 2.91Å; G472-T476 WeakPolarHBondContact O-CB 3.25Å; G472-T476 PolarHBondContact O-N 2.83Å; G472-T476 PolarHBondContact O-OG1 2.71Å
473	K	93.6	Very high	92.4	Very high	145 Å²	145	55.2 Å²	55.2	63%	0.63	30%	0.295	S	S	*	.	H	α-helix	trans	-53.4	-45.7	178.5	-73.7	-173.7	173.1	-174.8	0	112.6	D17 T476 K477	D17-K473 IonicContact OD1-NZ 2.71Å; D17-K473 PolarHBondContact OD1-NZ 3.15Å; D17-K473 IonicContact OD2-NZ 2.76Å; D17-K473 PolarHBondContact OD2-NZ 2.96Å; K473-T476 WeakPolarHBondContact O-CB 3.37Å; K473-T476 PolarHBondContact O-N 3.49Å; K473-K477 PolarHBondContact O-N 3.09Å; K473-K477 VanDerWaalsContact O-N 3.08Å
474	K	94.1	Very high	92.8	Very high	74 Å²	74	59.7 Å²	59.7	32%	0.322	32%	0.315	S	S	.	.	H	α-helix	trans	-66.9	-46.4	-178.1	-165.4	-171.9	171.9	-147.3	0	112	G472 T476 K477 R478 K638 N639 T640 E641	G472-K474 VanDerWaalsContact C-N 3.3Å; G472-K474 PolarHBondContact O-N 3.08Å; K474-T476 PolarHBondContact O-N 3.43Å; K474-K477 PolarHBondContact O-N 3.15Å; K474-K477 VanDerWaalsContact O-N 3.08Å; K474-R478 PolarHBondContact O-N 2.75Å; K474-K638 WeakPolarHBondContact CE-O 3.4Å; K474-N639 WeakPolarHBondContact CE-O 3.49Å; K474-N639 HydrophobicContact CG-CB 4.32Å; K474-N639 WeakPolarHBondContact CG-O 3.48Å; K474-T640 PolarHBondContact NZ-O 3.08Å; K474-E641 HydrophobicContact CD-CG 3.91Å
475	E	95.7	Very high	93.3	Very high	44 Å²	44	56.9 Å²	56.9	21%	0.206	30%	0.295	C	S	.	.	H	α-helix	trans	-64.4	-38.2	174.8	173	53.8	-163.2	0	0	112.3	L471 G472 K477 R478 Q479	L471-E475 HydrophobicContact CD2-CG 4.17Å; G472-E475 PolarHBondContact O-N 2.91Å; E475-K477 PolarHBondContact O-N 3.16Å; E475-R478 WeakPolarHBondContact O-CB 3.42Å; E475-R478 PolarHBondContact O-N 3.22Å; E475-R478 VanDerWaalsContact O-N 3.15Å; E475-R478 IonicContact OE1-NH1 2.68Å; E475-R478 PolarHBondContact OE1-NH1 3.3Å; E475-R478 VanDerWaalsContact OE1-NH1 3.09Å; E475-R478 WeakPolarHBondContact OE2-CD 3.37Å; E475-R478 IonicContact OE2-CZ 2.81Å; E475-R478 IonicContact OE2-NE 3.79Å; E475-R478 IonicContact OE2-NH1 2.68Å; E475-R478 PolarHBondContact OE2-NH1 2.9Å; E475-Q479 PolarHBondContact O-N 3.41Å; E475-Q479 WeakPolarHBondContact OE1-CG 3.43Å; E475-Q479 PolarHBondContact OE1-NE2 3.47Å
476	T	95.6	Very high	94	Very high	35 Å²	35	53.6 Å²	53.6	22%	0.215	27%	0.272	C	S	.	.	H	α-helix	trans	-57.2	-40.4	171.3	-57.1	0	0	0	0	110.8	R460 L471 G472 K473 K474 Q479 E480	R460-T476 VanDerWaalsContact NH2-CG2 3.33Å; L471-T476 WeakPolarHBondContact CB-OG1 3.47Å; G472-T476 WeakPolarHBondContact O-CB 3.25Å; G472-T476 PolarHBondContact O-N 2.83Å; G472-T476 PolarHBondContact O-OG1 2.71Å; K473-T476 WeakPolarHBondContact O-CB 3.37Å; K473-T476 PolarHBondContact O-N 3.49Å; K474-T476 PolarHBondContact O-N 3.43Å; T476-Q479 PolarHBondContact O-N 2.85Å; T476-E480 WeakPolarHBondContact O-CG 3.33Å; T476-E480 PolarHBondContact O-N 3.11Å
477	K	96.3	Very high	94.5	Very high	84 Å²	84	51 Å²	51	37%	0.365	26%	0.264	S	S	.	.	H	α-helix	trans	-72.7	-34.3	176.8	-165.7	48.8	166.2	171.6	0	113.1	K473 K474 E475 E480 V481	K473-K477 PolarHBondContact O-N 3.09Å; K473-K477 VanDerWaalsContact O-N 3.08Å; K474-K477 PolarHBondContact O-N 3.15Å; K474-K477 VanDerWaalsContact O-N 3.08Å; E475-K477 PolarHBondContact O-N 3.16Å; K477-E480 HydrophobicContact CD-CB 4.16Å; K477-E480 WeakPolarHBondContact CD-OE2 3.45Å; K477-E480 WeakPolarHBondContact CE-OE2 3.35Å; K477-E480 IonicContact NZ-OE2 3.27Å; K477-E480 PolarHBondContact NZ-OE2 3.34Å; K477-E480 PolarHBondContact O-N 3.08Å; K477-V481 WeakPolarHBondContact O-CG2 3.46Å; K477-V481 PolarHBondContact O-N 2.79Å; K477-V481 VanDerWaalsContact O-N 3.16Å
478	R	97.8	Very high	95.1	Very high	9 Å²	9	50.8 Å²	50.8	3%	0.034	26%	0.263	C	S	.	.	H	α-helix	trans	-57.9	-50	169.1	175.7	164	165	-79.4	0.3	111	K474 E475 E480 V481 I482 V550 K551 I636 N639 T640 E645	K474-R478 PolarHBondContact O-N 2.75Å; E475-R478 WeakPolarHBondContact O-CB 3.42Å; E475-R478 PolarHBondContact O-N 3.22Å; E475-R478 VanDerWaalsContact O-N 3.15Å; E475-R478 IonicContact OE1-NH1 2.68Å; E475-R478 PolarHBondContact OE1-NH1 3.3Å; E475-R478 VanDerWaalsContact OE1-NH1 3.09Å; E475-R478 WeakPolarHBondContact OE2-CD 3.37Å; E475-R478 IonicContact OE2-CZ 2.81Å; E475-R478 IonicContact OE2-NE 3.79Å; E475-R478 IonicContact OE2-NH1 2.68Å; E475-R478 PolarHBondContact OE2-NH1 2.9Å; R478-E480 VanDerWaalsContact C-N 3.34Å; R478-E480 PolarHBondContact O-N 3.17Å; R478-V481 PolarHBondContact O-N 2.98Å; R478-I482 HydrophobicContact CG-CD1 3.78Å; R478-I482 WeakPolarHBondContact O-CB 3.48Å; R478-I482 VanDerWaalsContact O-CG1 3.3Å; R478-I482 WeakPolarHBondContact O-CG1 3.49Å; R478-I482 PolarHBondContact O-N 3.16Å; R478-V550 PolarHBondContact NH1-O 2.63Å; R478-V550 PolarHBondContact NH2-O 3.18Å; R478-K551 PolarHBondContact NH2-O 3.03Å; R478-I636 HydrophobicContact CG-CG2 4.35Å; R478-N639 HydrophobicContact CB-CB 3.78Å; R478-T640 PolarHBondContact NE-OG1 3.38Å; R478-E645 IonicContact CZ-OE1 2.65Å; R478-E645 IonicContact CZ-OE2 3.82Å; R478-E645 IonicContact NE-OE1 2.67Å; R478-E645 IonicContact NE-OE2 4Å; R478-E645 VanDerWaalsContact NH2-CD 3.29Å; R478-E645 IonicContact NH2-OE1 2.69Å; R478-E645 PolarHBondContact NH2-OE1 3.48Å; R478-E645 IonicContact NH2-OE2 2.67Å; R478-E645 PolarHBondContact NH2-OE2 2.92Å
479	Q	97.3	Very high	95.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-36.7	176.6	-66.1	-57.1	-33	0	0	113	W459 L471 E475 T476 N483 V549 V550	W459-Q479 HydrophobicContact CE3-CB 4.49Å; W459-Q479 HydrophobicContact CH2-CB 3.53Å; W459-Q479 HydrophobicContact CH2-CG 4.28Å; W459-Q479 HydrophobicContact CZ2-CB 3.8Å; W459-Q479 HydrophobicContact CZ3-CB 3.91Å; W459-Q479 HydrophobicContact CZ3-CG 4.33Å; L471-Q479 HydrophobicContact CD1-CG 4.49Å; E475-Q479 PolarHBondContact O-N 3.41Å; E475-Q479 WeakPolarHBondContact OE1-CG 3.43Å; E475-Q479 PolarHBondContact OE1-NE2 3.47Å; T476-Q479 PolarHBondContact O-N 2.85Å; Q479-N483 WeakPolarHBondContact O-CB 3.35Å; Q479-N483 PolarHBondContact O-N 3.1Å; Q479-N483 PolarHBondContact O-ND2 3.45Å; Q479-V549 HydrophobicContact CG-CG1 4.16Å; Q479-V550 VanDerWaalsContact NE2-N 3.15Å; Q479-V550 PolarHBondContact NE2-O 2.71Å
480	E	96.5	Very high	96	Very high	56 Å²	56	42.2 Å²	42.2	26%	0.262	22%	0.224	S	C	.	.	H	α-helix	trans	-58.5	-50.8	173.5	-78.3	-175.6	170.2	0	0	112.3	W459 R460 T476 K477 R478 N483 E484	W459-E480 HydrophobicContact CZ2-CG 4.26Å; R460-E480 IonicContact CZ-OE1 3.81Å; R460-E480 VanDerWaalsContact CZ-OE1 3.25Å; R460-E480 IonicContact NH1-OE1 2.86Å; R460-E480 PolarHBondContact NH1-OE1 3.18Å; R460-E480 IonicContact NH2-OE1 2.74Å; R460-E480 PolarHBondContact NH2-OE1 2.89Å; T476-E480 WeakPolarHBondContact O-CG 3.33Å; T476-E480 PolarHBondContact O-N 3.11Å; K477-E480 HydrophobicContact CD-CB 4.16Å; K477-E480 WeakPolarHBondContact CD-OE2 3.45Å; K477-E480 WeakPolarHBondContact CE-OE2 3.35Å; K477-E480 IonicContact NZ-OE2 3.27Å; K477-E480 PolarHBondContact NZ-OE2 3.34Å; K477-E480 PolarHBondContact O-N 3.08Å; R478-E480 VanDerWaalsContact C-N 3.34Å; R478-E480 PolarHBondContact O-N 3.17Å; E480-N483 PolarHBondContact O-N 2.89Å; E480-E484 WeakPolarHBondContact O-CB 3.43Å; E480-E484 PolarHBondContact O-N 3.09Å
481	V	97.9	Very high	96.4	Very high	6 Å²	6	37.6 Å²	37.6	4%	0.036	21%	0.205	C	C	.	.	H	α-helix	trans	-71.3	-32.8	-177	-173.7	0	0	0	0	111.7	K477 R478 N483 E484 L485 L632 N635 I636	K477-V481 WeakPolarHBondContact O-CG2 3.46Å; K477-V481 PolarHBondContact O-N 2.79Å; K477-V481 VanDerWaalsContact O-N 3.16Å; R478-V481 PolarHBondContact O-N 2.98Å; V481-N483 VanDerWaalsContact C-N 3.34Å; V481-E484 PolarHBondContact O-N 3.43Å; V481-L485 WeakPolarHBondContact O-CB 3.07Å; V481-L485 PolarHBondContact O-N 3.09Å; V481-L632 HydrophobicContact CG1-CD2 3.96Å; V481-L632 WeakPolarHBondContact CG1-O 3.38Å; V481-N635 HydrophobicContact CG1-CB 3.98Å; V481-N635 HydrophobicContact CG2-CB 4.26Å; V481-I636 HydrophobicContact CB-CG1 3.99Å; V481-I636 HydrophobicContact CG1-CD1 4.41Å; V481-I636 HydrophobicContact CG1-CG1 3.67Å
482	I	98.3	Very high	96.7	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-61.4	-42.5	170.6	-72.2	172.8	0	0	0	111.2	R478 F486 V550 I553 I636	R478-I482 HydrophobicContact CG-CD1 3.78Å; R478-I482 WeakPolarHBondContact O-CB 3.48Å; R478-I482 VanDerWaalsContact O-CG1 3.3Å; R478-I482 WeakPolarHBondContact O-CG1 3.49Å; R478-I482 PolarHBondContact O-N 3.16Å; I482-F486 PolarHBondContact O-N 3.45Å; I482-F486 VanDerWaalsContact O-N 3.12Å; I482-V550 HydrophobicContact CD1-CB 4.25Å; I482-V550 HydrophobicContact CD1-CG1 4.34Å; I482-V550 HydrophobicContact CG2-CB 4.2Å; I482-V550 HydrophobicContact CG2-CG2 3.94Å; I482-I553 HydrophobicContact CB-CD1 4.35Å; I482-I553 HydrophobicContact CD1-CB 4.47Å; I482-I553 HydrophobicContact CD1-CD1 4.27Å; I482-I553 HydrophobicContact CD1-CG2 4.33Å; I482-I553 HydrophobicContact CG1-CD1 3.83Å; I482-I553 HydrophobicContact CG2-CD1 3.88Å; I482-I636 HydrophobicContact CD1-CG2 4.27Å; I482-I636 HydrophobicContact CG1-CD1 3.91Å; I482-I636 HydrophobicContact CG1-CG1 4.06Å; I482-I636 HydrophobicContact CG1-CG2 4.06Å
483	N	96.9	Very high	96.9	Very high	11 Å²	11	34.5 Å²	34.5	6%	0.059	18%	0.177	C	C	.	.	H	α-helix	trans	-76.8	-28.8	178.6	-77.5	-82.5	0	0	0	112.8	W459 Q479 E480 V481 A487 R543	W459-N483 VanDerWaalsContact CB-OD1 3.25Å; W459-N483 WeakPolarHBondContact CB-OD1 3.45Å; W459-N483 VanDerWaalsContact CD1-CB 3.48Å; W459-N483 VanDerWaalsContact CD1-CG 3.4Å; W459-N483 HydrophobicContact CG-CB 4.06Å; W459-N483 VanDerWaalsContact CG-CG 3.44Å; Q479-N483 WeakPolarHBondContact O-CB 3.35Å; Q479-N483 PolarHBondContact O-N 3.1Å; Q479-N483 PolarHBondContact O-ND2 3.45Å; E480-N483 PolarHBondContact O-N 2.89Å; V481-N483 VanDerWaalsContact C-N 3.34Å; N483-A487 VanDerWaalsContact O-CB 3.3Å; N483-A487 WeakPolarHBondContact O-CB 3.46Å; N483-A487 PolarHBondContact O-N 3.4Å; N483-R543 VanDerWaalsContact OD1-CZ 3.26Å; N483-R543 PolarHBondContact OD1-NE 3.11Å; N483-R543 PolarHBondContact OD1-NH2 3.12Å
484	E	97.7	Very high	97.1	Very high	101 Å²	101	27.8 Å²	27.8	47%	0.472	15%	0.148	S	C	.	.	H	α-helix	trans	-62.3	-49.2	167.8	-173.7	-173.9	159.9	0	0	110.8	E480 V481 F486 A487 T488 L632	E480-E484 WeakPolarHBondContact O-CB 3.43Å; E480-E484 PolarHBondContact O-N 3.09Å; V481-E484 PolarHBondContact O-N 3.43Å; E484-F486 VanDerWaalsContact C-N 3.33Å; E484-F486 PolarHBondContact O-N 3.1Å; E484-A487 PolarHBondContact O-N 3.39Å; E484-T488 HydrophobicContact CG-CG2 4.29Å; E484-T488 WeakPolarHBondContact O-CB 3.45Å; E484-T488 WeakPolarHBondContact O-CG2 3.39Å; E484-T488 PolarHBondContact O-N 3.2Å; E484-T488 PolarHBondContact O-OG1 2.77Å; E484-L632 HydrophobicContact CG-CD2 4.09Å
485	L	98.5	Very high	97.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-53.7	-49.2	175.3	175.2	66.7	0	0	0	111.2	V481 T488 E489 F535 L539 I553 L557 R625 Y629 L632 L633 I636	V481-L485 WeakPolarHBondContact O-CB 3.07Å; V481-L485 PolarHBondContact O-N 3.09Å; L485-T488 PolarHBondContact O-OG1 3.04Å; L485-E489 WeakPolarHBondContact O-CB 3.49Å; L485-E489 PolarHBondContact O-N 3.38Å; L485-F535 HydrophobicContact CD1-CE1 4.5Å; L485-F535 HydrophobicContact CD2-CZ 4.43Å; L485-L539 HydrophobicContact CG-CD1 4.32Å; L485-I553 HydrophobicContact CD2-CD1 4.29Å; L485-L557 HydrophobicContact CD2-CD2 3.94Å; L485-R625 PolarHBondContact O-NH2 2.89Å; L485-Y629 HydrophobicContact CD1-CD1 3.96Å; L485-Y629 HydrophobicContact CD1-CE1 4.1Å; L485-L632 HydrophobicContact CB-CD1 4.42Å; L485-L632 HydrophobicContact CD1-CB 4.43Å; L485-L632 HydrophobicContact CD1-CD1 3.82Å; L485-L633 HydrophobicContact CD1-CD1 4.28Å; L485-L633 HydrophobicContact CD2-CD1 4.11Å; L485-I636 HydrophobicContact CD2-CD1 4.06Å
486	F	98.2	Very high	97.2	Very high	5 Å²	5	23.4 Å²	23.4	2%	0.022	13%	0.129	C	C	.	.	H	α-helix	trans	-62.3	-51.3	177.2	167.8	-96.3	0	0	0	113.4	P456 I482 E484 T488 E489 H490 Y536 L539 K540	P456-F486 HydrophobicContact CB-CE1 3.84Å; P456-F486 HydrophobicContact CB-CZ 4.29Å; P456-F486 HydrophobicContact CG-CE1 3.77Å; P456-F486 HydrophobicContact CG-CZ 4.42Å; I482-F486 PolarHBondContact O-N 3.45Å; I482-F486 VanDerWaalsContact O-N 3.12Å; E484-F486 VanDerWaalsContact C-N 3.33Å; E484-F486 PolarHBondContact O-N 3.1Å; F486-T488 VanDerWaalsContact C-N 3.34Å; F486-T488 PolarHBondContact O-N 2.63Å; F486-E489 WeakPolarHBondContact O-CB 3.26Å; F486-E489 PolarHBondContact O-N 2.98Å; F486-H490 PolarHBondContact O-N 3.19Å; F486-Y536 HydrophobicContact CD2-CD2 4.22Å; F486-Y536 HydrophobicContact CD2-CE2 4.23Å; F486-Y536 AromaticContact CE2-CD2 3.78Å; F486-Y536 HydrophobicContact CE2-CD2 3.78Å; F486-Y536 AromaticContact CE2-CE2 3.39Å; F486-Y536 HydrophobicContact CE2-CE2 3.39Å; F486-Y536 HydrophobicContact CZ-CD2 4.42Å; F486-Y536 AromaticContact CZ-CE2 3.64Å; F486-Y536 HydrophobicContact CZ-CE2 3.64Å; F486-L539 HydrophobicContact CD2-CB 3.83Å; F486-K540 HydrophobicContact CE2-CB 3.96Å; F486-K540 HydrophobicContact CE2-CG 4.42Å
487	A	96.7	Very high	97.3	Very high	44 Å²	44	21.8 Å²	21.8	36%	0.364	12%	0.119	S	C	.	.	H	α-helix	trans	-67.9	-35.2	-176.2	0	0	0	0	0	112.2	N483 E484 A491	N483-A487 VanDerWaalsContact O-CB 3.3Å; N483-A487 WeakPolarHBondContact O-CB 3.46Å; N483-A487 PolarHBondContact O-N 3.4Å; E484-A487 PolarHBondContact O-N 3.39Å; A487-A491 PolarHBondContact O-N 3.13Å; A487-A491 VanDerWaalsContact O-N 3.1Å
488	T	97.6	Very high	97.2	Very high	51 Å²	51	17.8 Å²	17.8	31%	0.313	10%	0.102	S	C	.	.	H	α-helix	trans	-75.1	-25.6	174	56.8	0	0	0	0	112.8	E484 L485 F486 H492 R625	E484-T488 HydrophobicContact CG-CG2 4.29Å; E484-T488 WeakPolarHBondContact O-CB 3.45Å; E484-T488 WeakPolarHBondContact O-CG2 3.39Å; E484-T488 PolarHBondContact O-N 3.2Å; E484-T488 PolarHBondContact O-OG1 2.77Å; L485-T488 PolarHBondContact O-OG1 3.04Å; F486-T488 VanDerWaalsContact C-N 3.34Å; F486-T488 PolarHBondContact O-N 2.63Å; T488-H492 WeakPolarHBondContact O-CB 3.38Å; T488-H492 PolarHBondContact O-N 3.29Å; T488-H492 VanDerWaalsContact O-N 3.09Å; T488-R625 VanDerWaalsContact CB-NH1 3.26Å; T488-R625 PolarHBondContact OG1-NH1 2.9Å; T488-R625 PolarHBondContact OG1-NH2 3.35Å
489	E	98.3	Very high	97.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-69.6	-46.4	170.2	-164.1	67.7	-162.4	0	0	110.6	L485 F486 A491 H492 V493 H532 F535 R625 Y629	L485-E489 WeakPolarHBondContact O-CB 3.49Å; L485-E489 PolarHBondContact O-N 3.38Å; F486-E489 WeakPolarHBondContact O-CB 3.26Å; F486-E489 PolarHBondContact O-N 2.98Å; E489-A491 VanDerWaalsContact C-N 3.33Å; E489-A491 PolarHBondContact O-N 3.12Å; E489-H492 WeakPolarHBondContact O-CB 3.33Å; E489-H492 PolarHBondContact O-N 3.49Å; E489-H492 VanDerWaalsContact O-N 3.11Å; E489-V493 WeakPolarHBondContact O-CG2 3.23Å; E489-V493 PolarHBondContact O-N 3.11Å; E489-H532 IonicContact OE1-CE1 3.11Å; E489-H532 IonicContact OE1-CG 2.7Å; E489-H532 IonicContact OE1-ND1 2.66Å; E489-H532 PolarHBondContact OE1-ND1 2.94Å; E489-F535 HydrophobicContact CG-CD1 3.92Å; E489-F535 HydrophobicContact CG-CE1 4.41Å; E489-R625 VanDerWaalsContact N-NH2 3.16Å; E489-R625 IonicContact OE2-CZ 3.36Å; E489-R625 IonicContact OE2-NE 3.12Å; E489-R625 PolarHBondContact OE2-NE 2.88Å; E489-R625 IonicContact OE2-NH2 3.29Å; E489-R625 PolarHBondContact OE2-NH2 2.96Å; E489-Y629 VanDerWaalsContact CD-OH 3.25Å; E489-Y629 PolarHBondContact OE1-OH 2.91Å; E489-Y629 VanDerWaalsContact OE1-OH 3.05Å; E489-Y629 WeakPolarHBondContact OE2-CE1 3.44Å; E489-Y629 PolarHBondContact OE2-OH 3.12Å
490	H	97.2	Very high	97.1	Very high	4 Å²	4	18 Å²	18	2%	0.019	10%	0.103	C	C	.	.	H	α-helix	trans	-52.9	-50.3	173.3	178	-97.6	0	0	0	111.9	L452 Q454 P456 F486 H492 V493 R494 Y536	L452-H490 PolarHBondContact O-CE1 3.29Å; Q454-H490 PolarHBondContact O-CE1 3.22Å; P456-H490 WeakPolarHBondContact CD-ND1 3.42Å; P456-H490 HydrophobicContact CG-CB 4.42Å; F486-H490 PolarHBondContact O-N 3.19Å; H490-H492 VanDerWaalsContact C-N 3.29Å; H490-H492 PolarHBondContact O-N 2.79Å; H490-V493 PolarHBondContact O-N 3.4Å; H490-R494 WeakPolarHBondContact O-CB 3.3Å; H490-R494 PolarHBondContact O-N 2.95Å; H490-Y536 HydrophobicContact CB-CD2 3.92Å; H490-Y536 HydrophobicContact CB-CE2 3.7Å; H490-Y536 AromaticContact CD2-CE2 3.56Å; H490-Y536 AromaticContact CD2-CZ 3.66Å
491	A	96.3	Very high	97.1	Very high	41 Å²	41	19 Å²	19	34%	0.339	10%	0.104	S	C	.	.	H	α-helix	trans	-62.6	-34.3	178.9	0	0	0	0	0	113	A487 E489 M495	A487-A491 PolarHBondContact O-N 3.13Å; A487-A491 VanDerWaalsContact O-N 3.1Å; E489-A491 VanDerWaalsContact C-N 3.33Å; E489-A491 PolarHBondContact O-N 3.12Å; A491-M495 WeakPolarHBondContact O-CB 3.34Å; A491-M495 PolarHBondContact O-N 3.42Å; A491-M495 VanDerWaalsContact O-N 3.09Å
492	H	97.9	Very high	96.9	Very high	12 Å²	12	19 Å²	19	6%	0.056	10%	0.104	C	C	.	.	H	α-helix	trans	-70.3	-48.7	175.3	-174.1	59.4	0	0	0	112	T488 E489 H490 R494 M495 L496 H532 E622 R625	T488-H492 WeakPolarHBondContact O-CB 3.38Å; T488-H492 PolarHBondContact O-N 3.29Å; T488-H492 VanDerWaalsContact O-N 3.09Å; E489-H492 WeakPolarHBondContact O-CB 3.33Å; E489-H492 PolarHBondContact O-N 3.49Å; E489-H492 VanDerWaalsContact O-N 3.11Å; H490-H492 VanDerWaalsContact C-N 3.29Å; H490-H492 PolarHBondContact O-N 2.79Å; H492-R494 VanDerWaalsContact C-N 3.31Å; H492-R494 PolarHBondContact O-N 3.43Å; H492-M495 WeakPolarHBondContact O-CA 3.42Å; H492-M495 WeakPolarHBondContact O-CB 3.48Å; H492-M495 PolarHBondContact O-N 2.83Å; H492-L496 WeakPolarHBondContact NE2-CD1 3.5Å; H492-L496 PolarHBondContact O-N 3.27Å; H492-H532 AromaticContact CD2-CE1 3.67Å; H492-H532 AromaticContact CD2-CG 3.86Å; H492-H532 AromaticContact CD2-ND1 3.61Å; H492-H532 AromaticContact CD2-NE2 3.96Å; H492-H532 AromaticContact NE2-CD2 3.92Å; H492-H532 AromaticContact NE2-CE1 3.66Å; H492-H532 AromaticContact NE2-NE2 3.6Å; H492-E622 IonicContact CE1-OE2 2.7Å; H492-E622 PolarHBondContact CE1-OE2 3.23Å; H492-E622 IonicContact NE2-OE2 2.66Å; H492-E622 PolarHBondContact NE2-OE2 2.91Å; H492-R625 HydrophobicContact CB-CG 4.42Å
493	V	97.6	Very high	96.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.2	-44.8	175.8	-179.9	0	0	0	0	110.6	L452 E489 H490 M495 L496 S497 H532 Y533	L452-V493 HydrophobicContact CD1-CG1 3.8Å; L452-V493 HydrophobicContact CD2-CG1 4.29Å; E489-V493 WeakPolarHBondContact O-CG2 3.23Å; E489-V493 PolarHBondContact O-N 3.11Å; H490-V493 PolarHBondContact O-N 3.4Å; V493-M495 VanDerWaalsContact C-N 3.3Å; V493-M495 PolarHBondContact O-N 3.17Å; V493-L496 PolarHBondContact O-N 2.79Å; V493-S497 WeakPolarHBondContact O-CB 3.5Å; V493-S497 PolarHBondContact O-N 3.38Å; V493-S497 PolarHBondContact O-OG 3.2Å; V493-H532 HydrophobicContact CG2-CB 3.67Å; V493-Y533 HydrophobicContact CG1-CD2 4.06Å
494	R	96.4	Very high	96.8	Very high	5 Å²	5	18.9 Å²	18.9	2%	0.019	11%	0.106	C	C	.	.	H	α-helix	trans	-56.4	-44.6	173.3	-165.3	-159.5	108.1	-81.2	-13.1	111.4	L449 L452 E453 H490 H492 S497 V498 Q609	L449-R494 HydrophobicContact CD1-CG 4.13Å; L452-R494 HydrophobicContact CB-CB 3.98Å; L452-R494 HydrophobicContact CB-CG 3.87Å; L452-R494 WeakPolarHBondContact O-CD 3.37Å; L452-R494 VanDerWaalsContact O-CG 3.26Å; L452-R494 WeakPolarHBondContact O-CG 3.45Å; E453-R494 WeakPolarHBondContact OE1-CD 3.49Å; E453-R494 IonicContact OE1-CZ 3.99Å; E453-R494 IonicContact OE1-NE 2.66Å; E453-R494 PolarHBondContact OE1-NE 3.33Å; E453-R494 IonicContact OE1-NH2 3.88Å; E453-R494 IonicContact OE2-NE 2.86Å; E453-R494 PolarHBondContact OE2-NE 3.14Å; H490-R494 WeakPolarHBondContact O-CB 3.3Å; H490-R494 PolarHBondContact O-N 2.95Å; H492-R494 VanDerWaalsContact C-N 3.31Å; H492-R494 PolarHBondContact O-N 3.43Å; R494-S497 PolarHBondContact O-N 3Å; R494-V498 WeakPolarHBondContact O-CG2 3.5Å; R494-V498 PolarHBondContact O-N 3.46Å; R494-Q609 PolarHBondContact NH2-O 2.9Å
495	M	96.4	Very high	96.7	Very high	24 Å²	24	16.8 Å²	16.8	12%	0.118	10%	0.095	C	C	.	.	H	α-helix	trans	-64.5	-42	-179.1	-163.6	62.5	71.4	0	0	112.6	A491 H492 V493 V498 L499 L613 I618 T621	A491-M495 WeakPolarHBondContact O-CB 3.34Å; A491-M495 PolarHBondContact O-N 3.42Å; A491-M495 VanDerWaalsContact O-N 3.09Å; H492-M495 WeakPolarHBondContact O-CA 3.42Å; H492-M495 WeakPolarHBondContact O-CB 3.48Å; H492-M495 PolarHBondContact O-N 2.83Å; V493-M495 VanDerWaalsContact C-N 3.3Å; V493-M495 PolarHBondContact O-N 3.17Å; M495-V498 PolarHBondContact O-N 2.93Å; M495-L499 PolarHBondContact O-N 2.79Å; M495-L613 HydrophobicContact CE-CD1 3.44Å; M495-L613 VanDerWaalsContact CE-CD1 3.44Å; M495-L613 HydrophobicContact SD-CD1 3.87Å; M495-I618 HydrophobicContact CG-CG2 4.07Å; M495-I618 HydrophobicContact SD-CD1 4.46Å; M495-I618 HydrophobicContact SD-CG1 4.1Å; M495-I618 HydrophobicContact SD-CG2 4.35Å; M495-T621 HydrophobicContact CG-CG2 4.33Å
496	L	96.8	Very high	96.5	Very high	2 Å²	2	17 Å²	17	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-66.7	-41.2	174.2	-64.1	174	0	0	0	111.5	H492 V493 V498 L499 Q500 L525 I528 I529 H532	H492-L496 WeakPolarHBondContact NE2-CD1 3.5Å; H492-L496 PolarHBondContact O-N 3.27Å; V493-L496 PolarHBondContact O-N 2.79Å; L496-V498 VanDerWaalsContact C-N 3.3Å; L496-V498 PolarHBondContact O-N 2.83Å; L496-L499 WeakPolarHBondContact O-CA 3.38Å; L496-L499 VanDerWaalsContact O-CB 3.29Å; L496-L499 WeakPolarHBondContact O-CB 3.37Å; L496-L499 PolarHBondContact O-N 3.49Å; L496-Q500 PolarHBondContact O-N 3.05Å; L496-L525 HydrophobicContact CD2-CD1 4.45Å; L496-I528 HydrophobicContact CD1-CG2 3.94Å; L496-I529 HydrophobicContact CB-CD1 4.12Å; L496-I529 HydrophobicContact CB-CG1 3.51Å; L496-I529 HydrophobicContact CD1-CG1 4.4Å; L496-I529 VanDerWaalsContact O-CD1 3.3Å; L496-I529 WeakPolarHBondContact O-CD1 3.3Å; L496-H532 HydrophobicContact CD1-CB 4.5Å
497	S	96.1	Very high	96.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.7	-33.7	173.3	-69.1	0	0	0	0	112.6	V493 R494 Q500 W501	V493-S497 WeakPolarHBondContact O-CB 3.5Å; V493-S497 PolarHBondContact O-N 3.38Å; V493-S497 PolarHBondContact O-OG 3.2Å; R494-S497 PolarHBondContact O-N 3Å; S497-Q500 PolarHBondContact O-N 3.49Å; S497-W501 WeakPolarHBondContact O-CB 3.33Å; S497-W501 VanDerWaalsContact O-CD1 3.29Å; S497-W501 PolarHBondContact O-N 3.22Å
498	V	95.7	Very high	96.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.1	-42	168.8	169.1	0	0	0	0	111.1	L449 R494 M495 L496 Q500 V502 Q609	L449-V498 HydrophobicContact CD1-CG2 3.84Å; R494-V498 WeakPolarHBondContact O-CG2 3.5Å; R494-V498 PolarHBondContact O-N 3.46Å; M495-V498 PolarHBondContact O-N 2.93Å; L496-V498 VanDerWaalsContact C-N 3.3Å; L496-V498 PolarHBondContact O-N 2.83Å; V498-Q500 VanDerWaalsContact C-N 3.28Å; V498-Q500 PolarHBondContact O-N 2.78Å; V498-V502 HydrophobicContact CG1-CB 4.19Å; V498-V502 HydrophobicContact CG1-CG2 4.01Å; V498-V502 VanDerWaalsContact O-CB 3.28Å; V498-V502 WeakPolarHBondContact O-CB 3.34Å; V498-V502 PolarHBondContact O-N 2.97Å; V498-Q609 HydrophobicContact CG2-CB 3.94Å
499	L	96.9	Very high	96.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.11	C	C	.	.	I	π-helix	trans	-59.3	-39.3	175.1	-171.8	59.2	0	0	0	112.2	M495 L496 F503 A504 F522 L525 F576 L615 I618 I619	M495-L499 PolarHBondContact O-N 2.79Å; L496-L499 WeakPolarHBondContact O-CA 3.38Å; L496-L499 VanDerWaalsContact O-CB 3.29Å; L496-L499 WeakPolarHBondContact O-CB 3.37Å; L496-L499 PolarHBondContact O-N 3.49Å; L499-F503 HydrophobicContact CD1-CD2 4.31Å; L499-F503 WeakPolarHBondContact O-CB 3.29Å; L499-A504 PolarHBondContact O-N 3.17Å; L499-F522 HydrophobicContact CD1-CD1 4.26Å; L499-F522 HydrophobicContact CD1-CE1 3.74Å; L499-F522 HydrophobicContact CD1-CZ 4.37Å; L499-F522 HydrophobicContact CD2-CD1 4.3Å; L499-F522 HydrophobicContact CG-CD1 4.36Å; L499-F522 HydrophobicContact CG-CE1 4.32Å; L499-L525 HydrophobicContact CB-CD1 4.45Å; L499-L525 HydrophobicContact CB-CD2 4.42Å; L499-L525 HydrophobicContact CD2-CD1 3.88Å; L499-L525 HydrophobicContact CD2-CD2 4.32Å; L499-L525 HydrophobicContact CG-CD1 4.27Å; L499-L525 HydrophobicContact CG-CD2 3.96Å; L499-F576 HydrophobicContact CD2-CE2 4.36Å; L499-F576 HydrophobicContact CD2-CZ 3.82Å; L499-L615 HydrophobicContact CD1-CD1 3.29Å; L499-I618 HydrophobicContact CB-CG2 3.98Å; L499-I618 HydrophobicContact CD1-CG2 3.95Å; L499-I618 HydrophobicContact CD2-CG2 4.31Å; L499-I618 HydrophobicContact CG-CG2 4.31Å; L499-I619 HydrophobicContact CD1-CG1 4.26Å; L499-I619 HydrophobicContact CD2-CG1 4.44Å
500	Q	95.8	Very high	96	Very high	14 Å²	14	27.8 Å²	27.8	7%	0.065	13%	0.129	C	C	.	.	I	π-helix	trans	-71.2	-53.9	176.6	-173	-176.3	35.2	0	0	112.4	L496 S497 V498 A504 K505 L525 E526 I529	L496-Q500 PolarHBondContact O-N 3.05Å; S497-Q500 PolarHBondContact O-N 3.49Å; V498-Q500 VanDerWaalsContact C-N 3.28Å; V498-Q500 PolarHBondContact O-N 2.78Å; Q500-A504 PolarHBondContact O-N 2.88Å; Q500-K505 HydrophobicContact CG-CG 3.96Å; Q500-K505 PolarHBondContact O-N 2.88Å; Q500-L525 HydrophobicContact CB-CD2 4.09Å; Q500-L525 HydrophobicContact CB-CG 4.44Å; Q500-E526 PolarHBondContact NE2-OE2 3.33Å; Q500-I529 HydrophobicContact CB-CD1 3.49Å; Q500-I529 VanDerWaalsContact CB-CD1 3.49Å; Q500-I529 HydrophobicContact CG-CD1 4.07Å
501	W	95.3	Very high	95.9	Very high	77 Å²	77	35.7 Å²	35.7	29%	0.292	17%	0.166	S	C	.	.	I	π-helix	trans	-87.7	-25.5	-168.4	-69.8	114.2	0	0	0	115.2	D446 L449 S497 K505 P506	D446-W501 HydrophobicContact CB-CD2 3.83Å; D446-W501 VanDerWaalsContact CB-CE2 3.42Å; D446-W501 HydrophobicContact CB-CE3 4.5Å; D446-W501 HydrophobicContact CB-CG 4.09Å; D446-W501 HydrophobicContact CB-CH2 4.45Å; D446-W501 HydrophobicContact CB-CZ2 3.78Å; D446-W501 PolarHBondContact OD1-NE1 3.4Å; L449-W501 HydrophobicContact CD2-CB 4.03Å; S497-W501 WeakPolarHBondContact O-CB 3.33Å; S497-W501 VanDerWaalsContact O-CD1 3.29Å; S497-W501 PolarHBondContact O-N 3.22Å; W501-K505 HydrophobicContact CE3-CB 4.23Å; W501-K505 HydrophobicContact CE3-CG 4.2Å; W501-K505 HydrophobicContact CZ3-CB 4.42Å; W501-K505 HydrophobicContact CZ3-CG 4.26Å; W501-P506 VanDerWaalsContact O-CD 3.31Å; W501-P506 WeakPolarHBondContact O-CD 3.31Å; W501-P506 WeakPolarHBondContact O-CG 3.43Å
502	V	95.3	Very high	95.8	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.03	15%	0.153	C	C	.	.	I	π-helix	trans	-92.7	-28	176.4	178.2	0	0	0	0	112.1	V498 A604 K607 Q609	V498-V502 HydrophobicContact CG1-CB 4.19Å; V498-V502 HydrophobicContact CG1-CG2 4.01Å; V498-V502 VanDerWaalsContact O-CB 3.28Å; V498-V502 WeakPolarHBondContact O-CB 3.34Å; V498-V502 PolarHBondContact O-N 2.97Å; V502-A604 HydrophobicContact CG1-CB 3.98Å; V502-K607 HydrophobicContact CG1-CB 4.35Å; V502-K607 HydrophobicContact CG1-CD 4.08Å; V502-K607 HydrophobicContact CG1-CG 4.45Å; V502-Q609 HydrophobicContact CG2-CB 4.28Å
503	F	96.5	Very high	95.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	15%	0.153	C	C	.	.	I	π-helix	trans	-116.6	-64.6	-178.1	-57.6	-87.4	0	0	0	113.5	L499 P506 L507 F600 I601 A604 E605 L615 I618	L499-F503 HydrophobicContact CD1-CD2 4.31Å; L499-F503 WeakPolarHBondContact O-CB 3.29Å; F503-P506 WeakPolarHBondContact O-CD 3.44Å; F503-L507 VanDerWaalsContact O-CB 3.26Å; F503-L507 WeakPolarHBondContact O-CB 3.21Å; F503-L507 WeakPolarHBondContact O-CD1 3.36Å; F503-L507 WeakPolarHBondContact O-CG 3.33Å; F503-L507 PolarHBondContact O-N 3.38Å; F503-F600 HydrophobicContact CD1-CE1 4.49Å; F503-I601 HydrophobicContact CD1-CD1 3.98Å; F503-I601 HydrophobicContact CE1-CD1 4.39Å; F503-A604 HydrophobicContact CD1-CB 3.76Å; F503-A604 HydrophobicContact CE1-CB 3.47Å; F503-A604 VanDerWaalsContact CE1-CB 3.47Å; F503-A604 HydrophobicContact CZ-CB 4.15Å; F503-E605 HydrophobicContact CE1-CG 3.96Å; F503-E605 HydrophobicContact CZ-CG 3.98Å; F503-L615 HydrophobicContact CB-CD1 4.24Å; F503-L615 HydrophobicContact CD1-CB 4.19Å; F503-L615 HydrophobicContact CD1-CD1 3.98Å; F503-L615 HydrophobicContact CD1-CD2 3.96Å; F503-L615 HydrophobicContact CD1-CG 4.26Å; F503-L615 HydrophobicContact CD2-CD1 4.05Å; F503-L615 HydrophobicContact CE1-CB 3.84Å; F503-L615 HydrophobicContact CE1-CD1 4.33Å; F503-L615 HydrophobicContact CE1-CD2 4.4Å; F503-L615 HydrophobicContact CE1-CG 4.41Å; F503-L615 HydrophobicContact CE2-CD1 4.4Å; F503-L615 HydrophobicContact CG-CD1 3.82Å; F503-L615 HydrophobicContact CG-CD2 4.47Å; F503-L615 HydrophobicContact CZ-CB 4.16Å; F503-I618 HydrophobicContact CE2-CD1 3.85Å; F503-I618 HydrophobicContact CZ-CD1 4.39Å
504	A	95.9	Very high	95.4	Very high	12 Å²	12	37.1 Å²	37.1	10%	0.099	17%	0.173	C	C	.	.	I	π-helix	trans	-65.1	-54.4	-166.8	0	0	0	0	0	114	L499 Q500 L507 E508 F522 L525	L499-A504 PolarHBondContact O-N 3.17Å; Q500-A504 PolarHBondContact O-N 2.88Å; A504-L507 PolarHBondContact O-N 3.12Å; A504-E508 PolarHBondContact O-N 3.18Å; A504-E508 VanDerWaalsContact O-N 3.14Å; A504-F522 HydrophobicContact CB-CD2 3.93Å; A504-F522 HydrophobicContact CB-CE2 4.21Å; A504-L525 HydrophobicContact CB-CD2 3.88Å
505	K	94.6	Very high	95.1	Very high	56 Å²	56	39.8 Å²	39.8	24%	0.243	20%	0.195	C	C	.	.	H	α-helix	trans	-66.8	-37.5	-178.6	-62.8	-69.9	-175.5	-177.8	0	112.8	Q500 W501 E508 R509 E526	Q500-K505 HydrophobicContact CG-CG 3.96Å; Q500-K505 PolarHBondContact O-N 2.88Å; W501-K505 HydrophobicContact CE3-CB 4.23Å; W501-K505 HydrophobicContact CE3-CG 4.2Å; W501-K505 HydrophobicContact CZ3-CB 4.42Å; W501-K505 HydrophobicContact CZ3-CG 4.26Å; K505-E508 WeakPolarHBondContact O-CB 3.46Å; K505-E508 PolarHBondContact O-N 3.33Å; K505-R509 VanDerWaalsContact O-CB 3.27Å; K505-R509 WeakPolarHBondContact O-CB 3.5Å; K505-R509 PolarHBondContact O-N 2.96Å; K505-E526 WeakPolarHBondContact CE-OE2 3.14Å; K505-E526 IonicContact NZ-OE1 3.14Å; K505-E526 IonicContact NZ-OE2 3.3Å; K505-E526 PolarHBondContact NZ-OE2 3.48Å
506	P	95.4	Very high	94.9	Very high	4 Å²	4	44.8 Å²	44.8	3%	0.026	22%	0.222	C	C	.	.	H	α-helix	trans	-68.2	-40	172.1	-24.1	35.6	0	0	0	113.8	W501 F503 E508 R509 E510 F600	W501-P506 VanDerWaalsContact O-CD 3.31Å; W501-P506 WeakPolarHBondContact O-CD 3.31Å; W501-P506 WeakPolarHBondContact O-CG 3.43Å; F503-P506 WeakPolarHBondContact O-CD 3.44Å; P506-E508 PolarHBondContact O-N 3.04Å; P506-R509 PolarHBondContact O-N 2.89Å; P506-E510 WeakPolarHBondContact O-CB 3.23Å; P506-E510 PolarHBondContact O-N 3.12Å; P506-F600 HydrophobicContact CB-CE2 3.72Å; P506-F600 HydrophobicContact CB-CZ 3.79Å
507	L	95.9	Very high	94.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.5	-32.7	174.5	-78.2	167.8	0	0	0	112.7	F503 A504 I512 L513 L518 F522 F597 F600	F503-L507 VanDerWaalsContact O-CB 3.26Å; F503-L507 WeakPolarHBondContact O-CB 3.21Å; F503-L507 WeakPolarHBondContact O-CD1 3.36Å; F503-L507 WeakPolarHBondContact O-CG 3.33Å; F503-L507 PolarHBondContact O-N 3.38Å; A504-L507 PolarHBondContact O-N 3.12Å; L507-I512 HydrophobicContact CD2-CB 3.96Å; L507-I512 HydrophobicContact CD2-CD1 4.27Å; L507-I512 HydrophobicContact CD2-CG2 3.99Å; L507-I512 PolarHBondContact O-N 3.26Å; L507-I512 VanDerWaalsContact O-N 3.07Å; L507-L513 HydrophobicContact CB-CD1 4.41Å; L507-L513 HydrophobicContact CB-CG 4.48Å; L507-L513 HydrophobicContact CD1-CD1 3.99Å; L507-L513 HydrophobicContact CD2-CD1 4.48Å; L507-L513 HydrophobicContact CD2-CG 4.34Å; L507-L513 PolarHBondContact O-N 2.85Å; L507-L518 HydrophobicContact CB-CD2 3.93Å; L507-L518 HydrophobicContact CD1-CD2 4.35Å; L507-F522 HydrophobicContact CD1-CE2 4.24Å; L507-F597 HydrophobicContact CD1-CE2 4.14Å; L507-F597 HydrophobicContact CD2-CD2 3.75Å; L507-F597 HydrophobicContact CD2-CE2 3.66Å; L507-F600 HydrophobicContact CD1-CE1 4.08Å; L507-F600 HydrophobicContact CD2-CD1 3.38Å; L507-F600 HydrophobicContact CD2-CE1 3.48Å; L507-F600 VanDerWaalsContact CD2-CE1 3.48Å; L507-F600 HydrophobicContact CD2-CG 4.05Å; L507-F600 HydrophobicContact CD2-CZ 4.17Å; L507-F600 HydrophobicContact CG-CD1 3.93Å; L507-F600 HydrophobicContact CG-CE1 3.44Å; L507-F600 VanDerWaalsContact CG-CE1 3.44Å; L507-F600 HydrophobicContact CG-CZ 3.89Å
508	E	94.6	Very high	94.6	Very high	85 Å²	85	47.1 Å²	47.1	40%	0.397	24%	0.235	S	C	.	.	H	α-helix	trans	-72.8	-55.5	172.6	-164.6	169.8	-143	0	0	111.7	A504 K505 P506 E510 E511 L518	A504-E508 PolarHBondContact O-N 3.18Å; A504-E508 VanDerWaalsContact O-N 3.14Å; K505-E508 WeakPolarHBondContact O-CB 3.46Å; K505-E508 PolarHBondContact O-N 3.33Å; P506-E508 PolarHBondContact O-N 3.04Å; E508-E510 VanDerWaalsContact C-N 3.25Å; E508-E510 PolarHBondContact O-N 3.36Å; E508-E511 PolarHBondContact O-N 2.97Å; E508-L518 HydrophobicContact CB-CD1 3.48Å; E508-L518 VanDerWaalsContact CB-CD1 3.48Å; E508-L518 HydrophobicContact CG-CD1 3.87Å
509	R	94.8	Very high	94.4	Very high	158 Å²	158	51 Å²	51	60%	0.596	25%	0.252	S	S	*	.	H	α-helix	trans	-58.7	-34.1	-176.9	-173.3	-166.9	-65.2	153.3	-5.2	113.1	K505 P506 E511	K505-R509 VanDerWaalsContact O-CB 3.27Å; K505-R509 WeakPolarHBondContact O-CB 3.5Å; K505-R509 PolarHBondContact O-N 2.96Å; P506-R509 PolarHBondContact O-N 2.89Å; R509-E511 VanDerWaalsContact C-N 3.35Å
510	E	94.4	Very high	94.1	Very high	84 Å²	84	52.7 Å²	52.7	39%	0.393	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-1	177.1	-76.9	-165.1	-120.3	0	0	114.1	P506 E508 I512 R596 F600	P506-E510 WeakPolarHBondContact O-CB 3.23Å; P506-E510 PolarHBondContact O-N 3.12Å; E508-E510 VanDerWaalsContact C-N 3.25Å; E508-E510 PolarHBondContact O-N 3.36Å; E510-I512 HydrophobicContact CB-CD1 3.91Å; E510-I512 HydrophobicContact CB-CG1 3.74Å; E510-I512 PolarHBondContact O-N 2.92Å; E510-R596 VanDerWaalsContact O-CZ 3.25Å; E510-R596 PolarHBondContact O-NH1 3.39Å; E510-R596 PolarHBondContact O-NH2 2.92Å; E510-R596 IonicContact OE2-NH2 2.84Å; E510-R596 PolarHBondContact OE2-NH2 3.2Å; E510-F600 WeakPolarHBondContact OE1-CD2 3.21Å; E510-F600 WeakPolarHBondContact OE1-CE2 3.3Å
511	E	94.3	Very high	94	Very high	170 Å²	170	52.2 Å²	52.2	79%	0.794	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	35.6	-174.9	-52.9	-175.2	151	0	0	112.9	E508 R509	E508-E511 PolarHBondContact O-N 2.97Å; R509-E511 VanDerWaalsContact C-N 3.35Å
512	I	94.3	Very high	94	Very high	15 Å²	15	48.9 Å²	48.9	8%	0.077	25%	0.249	C	C	.	.	S	Bend	trans	-81	-35.1	175.1	-56.3	176.9	0	0	0	109.9	L507 E510 R596 F597 F600	L507-I512 HydrophobicContact CD2-CB 3.96Å; L507-I512 HydrophobicContact CD2-CD1 4.27Å; L507-I512 HydrophobicContact CD2-CG2 3.99Å; L507-I512 PolarHBondContact O-N 3.26Å; L507-I512 VanDerWaalsContact O-N 3.07Å; E510-I512 HydrophobicContact CB-CD1 3.91Å; E510-I512 HydrophobicContact CB-CG1 3.74Å; E510-I512 PolarHBondContact O-N 2.92Å; I512-R596 HydrophobicContact CD1-CG 4.48Å; I512-R596 HydrophobicContact CG1-CG 4.47Å; I512-F597 HydrophobicContact CG2-CB 3.89Å; I512-F597 HydrophobicContact CG2-CD2 3.75Å; I512-F597 HydrophobicContact CG2-CG 4.33Å; I512-F600 HydrophobicContact CD1-CB 3.62Å; I512-F600 HydrophobicContact CD1-CD1 4.49Å; I512-F600 HydrophobicContact CD1-CD2 3.64Å; I512-F600 HydrophobicContact CD1-CG 3.63Å
513	L	93.6	Very high	94	Very high	9 Å²	9	48.8 Å²	48.8	5%	0.047	25%	0.248	C	C	.	.	S	Bend	trans	-121.3	148	169.9	-63.8	-176.5	0	0	0	109.8	L507 D517 L518 I521 F597	L507-L513 HydrophobicContact CB-CD1 4.41Å; L507-L513 HydrophobicContact CB-CG 4.48Å; L507-L513 HydrophobicContact CD1-CD1 3.99Å; L507-L513 HydrophobicContact CD2-CD1 4.48Å; L507-L513 HydrophobicContact CD2-CG 4.34Å; L507-L513 PolarHBondContact O-N 2.85Å; L513-D517 HydrophobicContact CB-CB 4.12Å; L513-D517 HydrophobicContact CD2-CB 4.3Å; L513-L518 HydrophobicContact CB-CD1 4.2Å; L513-L518 HydrophobicContact CB-CD2 4.22Å; L513-L518 HydrophobicContact CB-CG 3.77Å; L513-L518 HydrophobicContact CD1-CD2 3.74Å; L513-L518 HydrophobicContact CD1-CG 4.07Å; L513-I521 HydrophobicContact CD1-CD1 4.02Å; L513-F597 HydrophobicContact CD1-CE2 3.99Å; L513-F597 HydrophobicContact CD2-CD2 4.19Å; L513-F597 HydrophobicContact CD2-CE2 4.13Å; L513-F597 HydrophobicContact CG-CD2 4.38Å; L513-F597 HydrophobicContact CG-CE2 4.14Å
514	S	93.4	Very high	93.8	Very high	60 Å²	60	49 Å²	49	42%	0.42	25%	0.249	S	C	.	.			trans	-73	155.4	166.8	64.1	0	0	0	0	110.5	L516 D517 L518	S514-L516 PolarHBondContact O-N 2.69Å; S514-L516 VanDerWaalsContact O-N 3.16Å; S514-D517 WeakPolarHBondContact O-CA 3.33Å; S514-D517 WeakPolarHBondContact O-CB 3.48Å; S514-D517 PolarHBondContact O-N 3.38Å; S514-D517 WeakPolarHBondContact OG-CB 3.31Å; S514-D517 PolarHBondContact OG-N 2.86Å; S514-D517 VanDerWaalsContact OG-N 3.17Å; S514-D517 PolarHBondContact OG-OD2 2.83Å; S514-L518 PolarHBondContact O-N 3.37Å
515	A	90.9	Very high	93.8	Very high	60 Å²	60	48.9 Å²	48.9	50%	0.496	25%	0.247	S	C	.	.	H	α-helix	trans	-53.8	-34.9	173.8	0	0	0	0	0	112.6	L518 E519	A515-L518 PolarHBondContact O-N 2.95Å; A515-E519 VanDerWaalsContact O-CB 3.25Å; A515-E519 WeakPolarHBondContact O-CB 3.22Å; A515-E519 PolarHBondContact O-N 3.09Å
516	L	92.1	Very high	93.8	Very high	129 Å²	129	50.6 Å²	50.6	68%	0.675	26%	0.256	S	S	*	.	H	α-helix	trans	-70	-34.6	175.1	-176	64.3	0	0	0	113.3	S514 T520	S514-L516 PolarHBondContact O-N 2.69Å; S514-L516 VanDerWaalsContact O-N 3.16Å; L516-T520 WeakPolarHBondContact O-CG2 3.41Å; L516-T520 PolarHBondContact O-N 3.47Å; L516-T520 PolarHBondContact O-OG1 3.12Å
517	D	92.3	Very high	93.8	Very high	38 Å²	38	54.3 Å²	54.3	20%	0.203	27%	0.273	C	S	.	.	H	α-helix	trans	-70.2	-36.9	172.4	-82	-45	0	0	0	111.7	L513 S514 T520 I521 R590	L513-D517 HydrophobicContact CB-CB 4.12Å; L513-D517 HydrophobicContact CD2-CB 4.3Å; S514-D517 WeakPolarHBondContact O-CA 3.33Å; S514-D517 WeakPolarHBondContact O-CB 3.48Å; S514-D517 PolarHBondContact O-N 3.38Å; S514-D517 WeakPolarHBondContact OG-CB 3.31Å; S514-D517 PolarHBondContact OG-N 2.86Å; S514-D517 VanDerWaalsContact OG-N 3.17Å; S514-D517 PolarHBondContact OG-OD2 2.83Å; D517-T520 PolarHBondContact O-N 3.48Å; D517-T520 PolarHBondContact O-OG1 3.02Å; D517-I521 WeakPolarHBondContact O-CB 3.28Å; D517-I521 WeakPolarHBondContact O-CD1 3.42Å; D517-I521 VanDerWaalsContact O-CG1 3.24Å; D517-I521 WeakPolarHBondContact O-CG1 3.14Å; D517-I521 PolarHBondContact O-N 2.83Å; D517-R590 IonicContact OD1-CZ 3.25Å; D517-R590 IonicContact OD1-NH2 3.46Å; D517-R590 PolarHBondContact OD1-NH2 3.48Å; D517-R590 IonicContact OD2-CZ 3.39Å; D517-R590 IonicContact OD2-NH1 3.91Å; D517-R590 PolarHBondContact OD2-NH1 2.82Å; D517-R590 IonicContact OD2-NH2 3.36Å; D517-R590 PolarHBondContact OD2-NH2 2.89Å
518	L	93.7	Very high	93.9	Very high	14 Å²	14	54.4 Å²	54.4	7%	0.073	27%	0.273	C	S	.	.	H	α-helix	trans	-67.8	-49.6	175.8	-77	161	0	0	0	111.4	L507 E508 L513 S514 A515 T520 I521 F522	L507-L518 HydrophobicContact CB-CD2 3.93Å; L507-L518 HydrophobicContact CD1-CD2 4.35Å; E508-L518 HydrophobicContact CB-CD1 3.48Å; E508-L518 VanDerWaalsContact CB-CD1 3.48Å; E508-L518 HydrophobicContact CG-CD1 3.87Å; L513-L518 HydrophobicContact CB-CD1 4.2Å; L513-L518 HydrophobicContact CB-CD2 4.22Å; L513-L518 HydrophobicContact CB-CG 3.77Å; L513-L518 HydrophobicContact CD1-CD2 3.74Å; L513-L518 HydrophobicContact CD1-CG 4.07Å; S514-L518 PolarHBondContact O-N 3.37Å; A515-L518 PolarHBondContact O-N 2.95Å; L518-T520 PolarHBondContact O-N 3.08Å; L518-T520 VanDerWaalsContact O-N 3.14Å; L518-I521 CarbonylContact O-C 3.44Å; L518-I521 PolarHBondContact O-N 2.99Å; L518-F522 HydrophobicContact CD2-CD2 3.87Å; L518-F522 HydrophobicContact CD2-CE2 3.93Å; L518-F522 PolarHBondContact O-N 3.27Å
519	E	92.4	Very high	94	Very high	80 Å²	80	50.4 Å²	50.4	37%	0.374	26%	0.255	S	S	.	.	H	α-helix	trans	-64.7	-15.8	177.7	176.7	58	-174.6	0	0	112.9	A515 P523 S524 R575	A515-E519 VanDerWaalsContact O-CB 3.25Å; A515-E519 WeakPolarHBondContact O-CB 3.22Å; A515-E519 PolarHBondContact O-N 3.09Å; E519-P523 WeakPolarHBondContact O-CA 3.31Å; E519-P523 VanDerWaalsContact O-CB 3.27Å; E519-P523 WeakPolarHBondContact O-CB 3.42Å; E519-S524 PolarHBondContact OE2-N 3.12Å; E519-R575 IonicContact OE1-CZ 2.7Å; E519-R575 IonicContact OE1-NH1 3.13Å; E519-R575 PolarHBondContact OE1-NH1 3.4Å; E519-R575 IonicContact OE1-NH2 3.7Å; E519-R575 PolarHBondContact OE1-NH2 3.33Å; E519-R575 IonicContact OE2-NH2 3.63Å
520	T	90.4	Very high	94.1	Very high	37 Å²	37	46.5 Å²	46.5	23%	0.227	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-1.4	170.4	53.8	0	0	0	0	114.6	L516 D517 L518 Y582	L516-T520 WeakPolarHBondContact O-CG2 3.41Å; L516-T520 PolarHBondContact O-N 3.47Å; L516-T520 PolarHBondContact O-OG1 3.12Å; D517-T520 PolarHBondContact O-N 3.48Å; D517-T520 PolarHBondContact O-OG1 3.02Å; L518-T520 PolarHBondContact O-N 3.08Å; L518-T520 VanDerWaalsContact O-N 3.14Å; T520-Y582 WeakPolarHBondContact O-CD1 3.06Å; T520-Y582 VanDerWaalsContact O-CE1 3.3Å; T520-Y582 WeakPolarHBondContact O-CE1 3.48Å
521	I	93.9	Very high	94.2	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.015	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-33.9	173.8	-68.9	171.4	0	0	0	111.3	L513 D517 L518 P523 A583 Q586 I587	L513-I521 HydrophobicContact CD1-CD1 4.02Å; D517-I521 WeakPolarHBondContact O-CB 3.28Å; D517-I521 WeakPolarHBondContact O-CD1 3.42Å; D517-I521 VanDerWaalsContact O-CG1 3.24Å; D517-I521 WeakPolarHBondContact O-CG1 3.14Å; D517-I521 PolarHBondContact O-N 2.83Å; L518-I521 CarbonylContact O-C 3.44Å; L518-I521 PolarHBondContact O-N 2.99Å; I521-P523 VanDerWaalsContact C-CD 3.45Å; I521-A583 HydrophobicContact CB-CB 4.46Å; I521-A583 HydrophobicContact CG2-CB 4.03Å; I521-A583 VanDerWaalsContact O-CB 3.26Å; I521-A583 WeakPolarHBondContact O-CB 3.4Å; I521-Q586 HydrophobicContact CD1-CB 4.38Å; I521-Q586 HydrophobicContact CG1-CB 4.38Å; I521-I587 HydrophobicContact CG2-CD1 3.85Å; I521-I587 HydrophobicContact CG2-CG1 4.06Å
522	F	95.5	Very high	94.4	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.035	19%	0.191	C	C	.	.	S	Bend	trans	-130.5	49	-178	-50.8	-62.7	0	0	0	112.6	L499 A504 L507 L518 S524 L525 L615 I619	L499-F522 HydrophobicContact CD1-CD1 4.26Å; L499-F522 HydrophobicContact CD1-CE1 3.74Å; L499-F522 HydrophobicContact CD1-CZ 4.37Å; L499-F522 HydrophobicContact CD2-CD1 4.3Å; L499-F522 HydrophobicContact CG-CD1 4.36Å; L499-F522 HydrophobicContact CG-CE1 4.32Å; A504-F522 HydrophobicContact CB-CD2 3.93Å; A504-F522 HydrophobicContact CB-CE2 4.21Å; L507-F522 HydrophobicContact CD1-CE2 4.24Å; L518-F522 HydrophobicContact CD2-CD2 3.87Å; L518-F522 HydrophobicContact CD2-CE2 3.93Å; L518-F522 PolarHBondContact O-N 3.27Å; F522-S524 PolarHBondContact O-N 2.84Å; F522-L525 HydrophobicContact CB-CB 4.13Å; F522-L525 HydrophobicContact CB-CD2 4.08Å; F522-L525 HydrophobicContact CG-CD2 4.41Å; F522-L525 WeakPolarHBondContact O-CB 3.46Å; F522-L525 PolarHBondContact O-N 3.1Å; F522-L615 HydrophobicContact CE1-CD1 4.09Å; F522-L615 HydrophobicContact CZ-CD1 4.15Å; F522-L615 HydrophobicContact CZ-CD2 4.26Å; F522-I619 HydrophobicContact CE1-CD1 3.89Å; F522-I619 HydrophobicContact CE1-CG1 4.07Å
523	P	94.1	Very high	94.5	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.013	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	126.9	-171.9	22.7	-32.3	0	0	0	112.6	E519 I521 L525 R575 Y579	E519-P523 WeakPolarHBondContact O-CA 3.31Å; E519-P523 VanDerWaalsContact O-CB 3.27Å; E519-P523 WeakPolarHBondContact O-CB 3.42Å; I521-P523 VanDerWaalsContact C-CD 3.45Å; P523-L525 VanDerWaalsContact C-N 3.3Å; P523-L525 PolarHBondContact O-N 3.13Å; P523-R575 HydrophobicContact CB-CG 4.23Å; P523-R575 WeakPolarHBondContact CG-O 3.36Å; P523-Y579 HydrophobicContact CG-CD2 4.11Å; P523-Y579 HydrophobicContact CG-CG 3.94Å
524	S	92.7	Very high	94.7	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.028	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	27.1	-177.2	-96.3	0	0	0	0	116.5	E519 F522 E526 E527 I528 R575	E519-S524 PolarHBondContact OE2-N 3.12Å; F522-S524 PolarHBondContact O-N 2.84Å; S524-E526 PolarHBondContact O-N 3.04Å; S524-E527 WeakPolarHBondContact CA-OE2 3.21Å; S524-E527 WeakPolarHBondContact CB-OE2 3.47Å; S524-E527 PolarHBondContact O-N 3.21Å; S524-E527 VanDerWaalsContact OG-CD 3.23Å; S524-E527 PolarHBondContact OG-OE1 3.39Å; S524-E527 PolarHBondContact OG-OE2 3.32Å; S524-I528 WeakPolarHBondContact O-CB 3.4Å; S524-I528 WeakPolarHBondContact O-CD1 3.39Å; S524-I528 VanDerWaalsContact O-CG1 3.25Å; S524-I528 WeakPolarHBondContact O-CG1 3.4Å; S524-I528 PolarHBondContact O-N 3.34Å; S524-I528 VanDerWaalsContact O-N 3.12Å; S524-R575 VanDerWaalsContact N-NH2 3.15Å; S524-R575 VanDerWaalsContact OG-CZ 3.31Å; S524-R575 PolarHBondContact OG-NE 2.91Å; S524-R575 PolarHBondContact OG-NH2 2.65Å
525	L	95.8	Very high	95	Very high	11 Å²	11	36.6 Å²	36.6	6%	0.058	20%	0.195	C	C	.	.	H	α-helix	trans	-55.3	-37	177.5	-180	58.7	0	0	0	112.7	L496 L499 Q500 A504 F522 P523 I529 F576	L496-L525 HydrophobicContact CD2-CD1 4.45Å; L499-L525 HydrophobicContact CB-CD1 4.45Å; L499-L525 HydrophobicContact CB-CD2 4.42Å; L499-L525 HydrophobicContact CD2-CD1 3.88Å; L499-L525 HydrophobicContact CD2-CD2 4.32Å; L499-L525 HydrophobicContact CG-CD1 4.27Å; L499-L525 HydrophobicContact CG-CD2 3.96Å; Q500-L525 HydrophobicContact CB-CD2 4.09Å; Q500-L525 HydrophobicContact CB-CG 4.44Å; A504-L525 HydrophobicContact CB-CD2 3.88Å; F522-L525 HydrophobicContact CB-CB 4.13Å; F522-L525 HydrophobicContact CB-CD2 4.08Å; F522-L525 HydrophobicContact CG-CD2 4.41Å; F522-L525 WeakPolarHBondContact O-CB 3.46Å; F522-L525 PolarHBondContact O-N 3.1Å; P523-L525 VanDerWaalsContact C-N 3.3Å; P523-L525 PolarHBondContact O-N 3.13Å; L525-I529 HydrophobicContact CD1-CD1 3.74Å; L525-I529 HydrophobicContact CD1-CG1 4.2Å; L525-I529 HydrophobicContact CG-CD1 3.76Å; L525-I529 VanDerWaalsContact O-CB 3.29Å; L525-I529 WeakPolarHBondContact O-CB 3.17Å; L525-I529 VanDerWaalsContact O-CD1 3.31Å; L525-I529 WeakPolarHBondContact O-CD1 3.43Å; L525-I529 WeakPolarHBondContact O-CG1 3.38Å; L525-I529 PolarHBondContact O-N 3Å; L525-F576 HydrophobicContact CD1-CE2 4.16Å
526	E	95.1	Very high	95.3	Very high	91 Å²	91	34.1 Å²	34.1	43%	0.425	17%	0.173	S	C	.	.	H	α-helix	trans	-70.9	-46.6	-177.9	-159.6	143.4	125.5	0	0	112.5	Q500 K505 S524 I528 I529 D530	Q500-E526 PolarHBondContact NE2-OE2 3.33Å; K505-E526 WeakPolarHBondContact CE-OE2 3.14Å; K505-E526 IonicContact NZ-OE1 3.14Å; K505-E526 IonicContact NZ-OE2 3.3Å; K505-E526 PolarHBondContact NZ-OE2 3.48Å; S524-E526 PolarHBondContact O-N 3.04Å; E526-I528 VanDerWaalsContact C-N 3.33Å; E526-I528 PolarHBondContact O-N 3.3Å; E526-I529 WeakPolarHBondContact O-CB 3.47Å; E526-I529 PolarHBondContact O-N 2.97Å; E526-D530 PolarHBondContact O-N 3Å; E526-D530 VanDerWaalsContact O-N 3.1Å
527	E	96.7	Very high	95.5	Very high	83 Å²	83	29.4 Å²	29.4	39%	0.388	15%	0.148	S	C	.	.	H	α-helix	trans	-71.1	-29.6	179.5	-51.4	101.2	137.6	0	0	112.6	S524 M531 L572	S524-E527 WeakPolarHBondContact CA-OE2 3.21Å; S524-E527 WeakPolarHBondContact CB-OE2 3.47Å; S524-E527 PolarHBondContact O-N 3.21Å; S524-E527 VanDerWaalsContact OG-CD 3.23Å; S524-E527 PolarHBondContact OG-OE1 3.39Å; S524-E527 PolarHBondContact OG-OE2 3.32Å; E527-M531 WeakPolarHBondContact O-CB 3.41Å; E527-M531 PolarHBondContact O-N 2.87Å; E527-L572 HydrophobicContact CB-CD1 3.57Å; E527-L572 HydrophobicContact CB-CD2 4.46Å
528	I	97	Very high	95.8	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-66.9	-44.3	173	-69	169.8	0	0	0	110.3	L496 S524 E526 D530 M531 H532 L572 F576	L496-I528 HydrophobicContact CD1-CG2 3.94Å; S524-I528 WeakPolarHBondContact O-CB 3.4Å; S524-I528 WeakPolarHBondContact O-CD1 3.39Å; S524-I528 VanDerWaalsContact O-CG1 3.25Å; S524-I528 WeakPolarHBondContact O-CG1 3.4Å; S524-I528 PolarHBondContact O-N 3.34Å; S524-I528 VanDerWaalsContact O-N 3.12Å; E526-I528 VanDerWaalsContact C-N 3.33Å; E526-I528 PolarHBondContact O-N 3.3Å; I528-D530 VanDerWaalsContact C-N 3.32Å; I528-D530 PolarHBondContact O-N 3.26Å; I528-M531 PolarHBondContact O-N 3.32Å; I528-H532 PolarHBondContact O-CD2 3.38Å; I528-H532 VanDerWaalsContact O-CD2 3.25Å; I528-H532 PolarHBondContact O-N 3Å; I528-L572 HydrophobicContact CD1-CB 4.34Å; I528-L572 HydrophobicContact CG1-CB 3.79Å; I528-L572 HydrophobicContact CG1-CD1 4.41Å; I528-F576 HydrophobicContact CD1-CB 3.37Å; I528-F576 HydrophobicContact CD1-CD2 4.12Å; I528-F576 HydrophobicContact CD1-CG 3.9Å
529	I	97	Very high	96	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-58	-41.8	175.7	-81.8	169.8	0	0	0	112.2	R448 L496 Q500 L525 E526 Y533	R448-I529 PolarHBondContact NH2-O 3.29Å; L496-I529 HydrophobicContact CB-CD1 4.12Å; L496-I529 HydrophobicContact CB-CG1 3.51Å; L496-I529 HydrophobicContact CD1-CG1 4.4Å; L496-I529 VanDerWaalsContact O-CD1 3.3Å; L496-I529 WeakPolarHBondContact O-CD1 3.3Å; Q500-I529 HydrophobicContact CB-CD1 3.49Å; Q500-I529 VanDerWaalsContact CB-CD1 3.49Å; Q500-I529 HydrophobicContact CG-CD1 4.07Å; L525-I529 HydrophobicContact CD1-CD1 3.74Å; L525-I529 HydrophobicContact CD1-CG1 4.2Å; L525-I529 HydrophobicContact CG-CD1 3.76Å; L525-I529 VanDerWaalsContact O-CB 3.29Å; L525-I529 WeakPolarHBondContact O-CB 3.17Å; L525-I529 VanDerWaalsContact O-CD1 3.31Å; L525-I529 WeakPolarHBondContact O-CD1 3.43Å; L525-I529 WeakPolarHBondContact O-CG1 3.38Å; L525-I529 PolarHBondContact O-N 3Å; E526-I529 WeakPolarHBondContact O-CB 3.47Å; E526-I529 PolarHBondContact O-N 2.97Å; I529-Y533 WeakPolarHBondContact O-CB 3.5Å; I529-Y533 PolarHBondContact O-N 3.01Å; I529-Y533 VanDerWaalsContact O-N 3.09Å
530	D	96.5	Very high	96.2	Very high	76 Å²	76	27.7 Å²	27.7	41%	0.406	14%	0.142	S	C	.	.	H	α-helix	trans	-76.4	-33.2	178	-79.1	-9.2	0	0	0	113.2	R448 E526 I528 Y533 T534	R448-D530 IonicContact CZ-OD1 3.87Å; R448-D530 IonicContact NH1-OD1 3.46Å; R448-D530 PolarHBondContact NH1-OD1 2.83Å; R448-D530 IonicContact NH2-OD1 2.82Å; E526-D530 PolarHBondContact O-N 3Å; E526-D530 VanDerWaalsContact O-N 3.1Å; I528-D530 VanDerWaalsContact C-N 3.32Å; I528-D530 PolarHBondContact O-N 3.26Å; D530-Y533 PolarHBondContact O-N 3.37Å; D530-T534 VanDerWaalsContact O-CB 3.28Å; D530-T534 WeakPolarHBondContact O-CB 3.39Å; D530-T534 PolarHBondContact O-N 2.68Å; D530-T534 PolarHBondContact O-OG1 3.31Å
531	M	97.1	Very high	96.5	Very high	7 Å²	7	32.5 Å²	32.5	3%	0.034	16%	0.16	C	C	.	.	H	α-helix	trans	-64	-46.5	176	169.6	174.2	-85.5	0	0	113	E527 I528 F535 R560 W568 F569 L572	E527-M531 WeakPolarHBondContact O-CB 3.41Å; E527-M531 PolarHBondContact O-N 2.87Å; I528-M531 PolarHBondContact O-N 3.32Å; M531-F535 PolarHBondContact O-N 3.28Å; M531-R560 PolarHBondContact O-NE 2.92Å; M531-R560 PolarHBondContact O-NH2 3.37Å; M531-R560 VanDerWaalsContact O-NH2 3.09Å; M531-W568 HydrophobicContact CE-CB 4.27Å; M531-W568 HydrophobicContact CE-CG 3.82Å; M531-F569 VanDerWaalsContact CE-CA 3.46Å; M531-F569 HydrophobicContact CE-CB 3.96Å; M531-F569 HydrophobicContact CE-CD2 4.5Å; M531-F569 HydrophobicContact CG-CD2 3.74Å; M531-F569 HydrophobicContact CG-CE2 4.37Å; M531-F569 VanDerWaalsContact SD-CA 3.51Å; M531-F569 HydrophobicContact SD-CB 3.81Å; M531-F569 HydrophobicContact SD-CD2 3.37Å; M531-F569 WeakPolarHBondContact SD-CD2 2.99Å; M531-F569 HydrophobicContact SD-CE2 4.21Å; M531-F569 HydrophobicContact SD-CG 3.91Å; M531-L572 HydrophobicContact CE-CD1 3.73Å; M531-L572 HydrophobicContact CE-CG 4.4Å; M531-L572 HydrophobicContact SD-CB 4.45Å; M531-L572 HydrophobicContact SD-CD1 4.05Å
532	H	98.3	Very high	96.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-68.9	-42.3	173.9	-76.5	-76.2	0	0	0	111.6	E489 H492 V493 L496 I528 T534 F535 Y536 F569 E622 Y629	E489-H532 IonicContact OE1-CE1 3.11Å; E489-H532 IonicContact OE1-CG 2.7Å; E489-H532 IonicContact OE1-ND1 2.66Å; E489-H532 PolarHBondContact OE1-ND1 2.94Å; H492-H532 AromaticContact CD2-CE1 3.67Å; H492-H532 AromaticContact CD2-CG 3.86Å; H492-H532 AromaticContact CD2-ND1 3.61Å; H492-H532 AromaticContact CD2-NE2 3.96Å; H492-H532 AromaticContact NE2-CD2 3.92Å; H492-H532 AromaticContact NE2-CE1 3.66Å; H492-H532 AromaticContact NE2-NE2 3.6Å; V493-H532 HydrophobicContact CG2-CB 3.67Å; L496-H532 HydrophobicContact CD1-CB 4.5Å; I528-H532 PolarHBondContact O-CD2 3.38Å; I528-H532 VanDerWaalsContact O-CD2 3.25Å; I528-H532 PolarHBondContact O-N 3Å; H532-T534 VanDerWaalsContact C-N 3.34Å; H532-T534 PolarHBondContact O-N 3.35Å; H532-F535 PolarHBondContact O-N 2.79Å; H532-F535 VanDerWaalsContact O-N 3.14Å; H532-Y536 WeakPolarHBondContact O-CB 3.5Å; H532-Y536 PolarHBondContact O-N 3.2Å; H532-F569 AromaticContact CE1-CE2 3.68Å; H532-F569 AromaticContact CE1-CZ 3.95Å; H532-F569 AromaticContact NE2-CE2 3.93Å; H532-E622 IonicContact CD2-OE2 3.74Å; H532-E622 IonicContact CE1-OE1 2.74Å; H532-E622 IonicContact NE2-OE1 3.62Å; H532-E622 PolarHBondContact NE2-OE1 3.24Å; H532-E622 IonicContact NE2-OE2 2.64Å; H532-E622 PolarHBondContact NE2-OE2 2.83Å; H532-Y629 PolarHBondContact CE1-OH 2.87Å; H532-Y629 PolarHBondContact ND1-OH 3.37Å
533	Y	97	Very high	96.7	Very high	51 Å²	51	34 Å²	34	20%	0.2	17%	0.167	C	C	.	.	H	α-helix	trans	-62	-39.3	176.2	-179.5	-105.6	0	0	0	112.7	R448 V493 I529 D530 F535 Y536 E537	R448-Y533 HydrophobicContact CG-CD2 4.48Å; R448-Y533 HydrophobicContact CG-CE2 3.84Å; R448-Y533 VanDerWaalsContact CZ-CG 3.45Å; V493-Y533 HydrophobicContact CG1-CD2 4.06Å; I529-Y533 WeakPolarHBondContact O-CB 3.5Å; I529-Y533 PolarHBondContact O-N 3.01Å; I529-Y533 VanDerWaalsContact O-N 3.09Å; D530-Y533 PolarHBondContact O-N 3.37Å; Y533-F535 VanDerWaalsContact C-N 3.3Å; Y533-F535 PolarHBondContact O-N 3.44Å; Y533-Y536 AromaticContact CD2-CD1 3.96Å; Y533-Y536 HydrophobicContact CD2-CD1 3.96Å; Y533-Y536 HydrophobicContact CE2-CD1 4.14Å; Y533-Y536 HydrophobicContact CE2-CE1 4.29Å; Y533-Y536 PolarHBondContact O-N 3.11Å; Y533-E537 HydrophobicContact CD1-CG 4.26Å; Y533-E537 HydrophobicContact CD2-CG 4.48Å; Y533-E537 HydrophobicContact CE1-CG 3.83Å; Y533-E537 HydrophobicContact CE2-CG 4.09Å; Y533-E537 WeakPolarHBondContact O-CB 3.35Å; Y533-E537 PolarHBondContact O-N 2.71Å
534	T	97.4	Very high	96.7	Very high	69 Å²	69	37.7 Å²	37.7	42%	0.423	19%	0.189	S	C	.	.	H	α-helix	trans	-62.1	-37.4	174.7	-59.7	0	0	0	0	111.7	D530 H532 S538	D530-T534 VanDerWaalsContact O-CB 3.28Å; D530-T534 WeakPolarHBondContact O-CB 3.39Å; D530-T534 PolarHBondContact O-N 2.68Å; D530-T534 PolarHBondContact O-OG1 3.31Å; H532-T534 VanDerWaalsContact C-N 3.34Å; H532-T534 PolarHBondContact O-N 3.35Å; T534-S538 WeakPolarHBondContact O-CB 3.49Å; T534-S538 PolarHBondContact O-N 3.28Å; T534-S538 PolarHBondContact O-OG 3.14Å
535	F	98.4	Very high	96.8	Very high	3 Å²	3	41.3 Å²	41.3	1%	0.013	21%	0.214	C	C	.	.	H	α-helix	trans	-72	-44.3	175.8	179.2	-128.7	0	0	0	111.8	L485 E489 M531 H532 Y533 E537 S538 L539 T556 L557 R560 F561 Y629	L485-F535 HydrophobicContact CD1-CE1 4.5Å; L485-F535 HydrophobicContact CD2-CZ 4.43Å; E489-F535 HydrophobicContact CG-CD1 3.92Å; E489-F535 HydrophobicContact CG-CE1 4.41Å; M531-F535 PolarHBondContact O-N 3.28Å; H532-F535 PolarHBondContact O-N 2.79Å; H532-F535 VanDerWaalsContact O-N 3.14Å; Y533-F535 VanDerWaalsContact C-N 3.3Å; Y533-F535 PolarHBondContact O-N 3.44Å; F535-E537 PolarHBondContact O-N 3.23Å; F535-S538 WeakPolarHBondContact O-CB 3.34Å; F535-S538 PolarHBondContact O-N 3.26Å; F535-L539 HydrophobicContact CD1-CD1 4.24Å; F535-L539 HydrophobicContact CD2-CD1 4.45Å; F535-L539 HydrophobicContact CD2-CG 4.39Å; F535-L539 HydrophobicContact CE1-CD1 3.86Å; F535-L539 HydrophobicContact CE2-CD1 4.1Å; F535-L539 HydrophobicContact CE2-CD2 4.28Å; F535-L539 HydrophobicContact CE2-CG 4.11Å; F535-L539 HydrophobicContact CZ-CD1 3.78Å; F535-L539 HydrophobicContact CZ-CD2 4.42Å; F535-L539 HydrophobicContact CZ-CG 4.27Å; F535-L539 WeakPolarHBondContact O-CG 3.33Å; F535-L539 PolarHBondContact O-N 3.45Å; F535-T556 HydrophobicContact CD2-CG2 4.36Å; F535-T556 HydrophobicContact CE2-CG2 4.15Å; F535-L557 HydrophobicContact CE2-CD2 4.32Å; F535-L557 HydrophobicContact CZ-CD2 4.09Å; F535-R560 HydrophobicContact CB-CG 4.08Å; F535-R560 HydrophobicContact CD1-CG 4.2Å; F535-R560 HydrophobicContact CD2-CB 3.63Å; F535-R560 HydrophobicContact CD2-CG 3.76Å; F535-R560 HydrophobicContact CE2-CB 4.01Å; F535-R560 HydrophobicContact CE2-CG 4.2Å; F535-R560 HydrophobicContact CG-CB 4.15Å; F535-R560 HydrophobicContact CG-CG 3.77Å; F535-F561 HydrophobicContact CE1-CE2 4.14Å; F535-F561 AromaticContact CE1-CZ 3.92Å; F535-F561 HydrophobicContact CE1-CZ 3.92Å; F535-F561 HydrophobicContact CE2-CE2 4.21Å; F535-F561 AromaticContact CZ-CE2 3.7Å; F535-F561 HydrophobicContact CZ-CE2 3.7Å; F535-F561 AromaticContact CZ-CZ 3.97Å; F535-F561 HydrophobicContact CZ-CZ 3.97Å; F535-Y629 HydrophobicContact CE1-CE1 4.03Å
536	Y	97.9	Very high	96.7	Very high	8 Å²	8	41.8 Å²	41.8	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-54.9	-47.9	171.3	161.4	-100.3	0	0	0	112	L452 F486 H490 H532 Y533 S538 L539 K540	L452-Y536 HydrophobicContact CD2-CE1 4.47Å; F486-Y536 HydrophobicContact CD2-CD2 4.22Å; F486-Y536 HydrophobicContact CD2-CE2 4.23Å; F486-Y536 AromaticContact CE2-CD2 3.78Å; F486-Y536 HydrophobicContact CE2-CD2 3.78Å; F486-Y536 AromaticContact CE2-CE2 3.39Å; F486-Y536 HydrophobicContact CE2-CE2 3.39Å; F486-Y536 HydrophobicContact CZ-CD2 4.42Å; F486-Y536 AromaticContact CZ-CE2 3.64Å; F486-Y536 HydrophobicContact CZ-CE2 3.64Å; H490-Y536 HydrophobicContact CB-CD2 3.92Å; H490-Y536 HydrophobicContact CB-CE2 3.7Å; H490-Y536 AromaticContact CD2-CE2 3.56Å; H490-Y536 AromaticContact CD2-CZ 3.66Å; H532-Y536 WeakPolarHBondContact O-CB 3.5Å; H532-Y536 PolarHBondContact O-N 3.2Å; Y533-Y536 AromaticContact CD2-CD1 3.96Å; Y533-Y536 HydrophobicContact CD2-CD1 3.96Å; Y533-Y536 HydrophobicContact CE2-CD1 4.14Å; Y533-Y536 HydrophobicContact CE2-CE1 4.29Å; Y533-Y536 PolarHBondContact O-N 3.11Å; Y536-S538 VanDerWaalsContact C-N 3.33Å; Y536-S538 PolarHBondContact O-N 2.97Å; Y536-L539 PolarHBondContact O-N 3.45Å; Y536-K540 HydrophobicContact CE1-CD 3.97Å; Y536-K540 WeakPolarHBondContact O-CB 3.42Å; Y536-K540 PolarHBondContact O-N 2.78Å
537	E	97.1	Very high	96.6	Very high	30 Å²	30	43 Å²	43	14%	0.14	23%	0.226	C	C	.	.	H	α-helix	trans	-64.6	-35.8	177.3	-82.8	-63.2	129.5	0	0	112.3	Y533 F535 K540 K541	Y533-E537 HydrophobicContact CD1-CG 4.26Å; Y533-E537 HydrophobicContact CD2-CG 4.48Å; Y533-E537 HydrophobicContact CE1-CG 3.83Å; Y533-E537 HydrophobicContact CE2-CG 4.09Å; Y533-E537 WeakPolarHBondContact O-CB 3.35Å; Y533-E537 PolarHBondContact O-N 2.71Å; F535-E537 PolarHBondContact O-N 3.23Å; E537-K540 WeakPolarHBondContact O-CB 3.44Å; E537-K540 PolarHBondContact O-N 2.71Å; E537-K540 WeakPolarHBondContact OE1-CD 3.46Å; E537-K540 WeakPolarHBondContact OE1-CE 3.43Å; E537-K540 IonicContact OE1-NZ 2.72Å; E537-K540 PolarHBondContact OE1-NZ 2.67Å; E537-K541 WeakPolarHBondContact O-CB 3.34Å; E537-K541 VanDerWaalsContact O-CG 3.23Å; E537-K541 WeakPolarHBondContact O-CG 3.48Å; E537-K541 PolarHBondContact O-N 3.25Å
538	S	98	Very high	96.4	Very high	41 Å²	41	42 Å²	42	29%	0.287	22%	0.219	S	C	.	.	H	α-helix	trans	-64.6	-43	173.3	-58.7	0	0	0	0	111.6	T534 F535 Y536 L542	T534-S538 WeakPolarHBondContact O-CB 3.49Å; T534-S538 PolarHBondContact O-N 3.28Å; T534-S538 PolarHBondContact O-OG 3.14Å; F535-S538 WeakPolarHBondContact O-CB 3.34Å; F535-S538 PolarHBondContact O-N 3.26Å; Y536-S538 VanDerWaalsContact C-N 3.33Å; Y536-S538 PolarHBondContact O-N 2.97Å; S538-L542 WeakPolarHBondContact O-CB 3.39Å; S538-L542 PolarHBondContact O-N 2.65Å
539	L	97.9	Very high	96.3	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.016	22%	0.224	C	C	.	.	H	α-helix	trans	-67.2	-37.9	174.2	-66.6	171.2	0	0	0	112.2	L485 F486 F535 Y536 R543 I553 T556	L485-L539 HydrophobicContact CG-CD1 4.32Å; F486-L539 HydrophobicContact CD2-CB 3.83Å; F535-L539 HydrophobicContact CD1-CD1 4.24Å; F535-L539 HydrophobicContact CD2-CD1 4.45Å; F535-L539 HydrophobicContact CD2-CG 4.39Å; F535-L539 HydrophobicContact CE1-CD1 3.86Å; F535-L539 HydrophobicContact CE2-CD1 4.1Å; F535-L539 HydrophobicContact CE2-CD2 4.28Å; F535-L539 HydrophobicContact CE2-CG 4.11Å; F535-L539 HydrophobicContact CZ-CD1 3.78Å; F535-L539 HydrophobicContact CZ-CD2 4.42Å; F535-L539 HydrophobicContact CZ-CG 4.27Å; F535-L539 WeakPolarHBondContact O-CG 3.33Å; F535-L539 PolarHBondContact O-N 3.45Å; Y536-L539 PolarHBondContact O-N 3.45Å; L539-R543 WeakPolarHBondContact O-CB 3.33Å; L539-R543 VanDerWaalsContact O-CG 3.23Å; L539-R543 WeakPolarHBondContact O-CG 3.46Å; L539-R543 PolarHBondContact O-N 3.43Å; L539-I553 HydrophobicContact CD2-CD1 4.05Å; L539-I553 HydrophobicContact CD2-CG1 4.43Å; L539-T556 HydrophobicContact CD2-CG2 3.86Å; L539-T556 HydrophobicContact CG-CG2 4.24Å
540	K	96.3	Very high	96.2	Very high	53 Å²	53	42.7 Å²	42.7	23%	0.23	22%	0.224	C	C	.	.	H	α-helix	trans	-59.5	-51.3	175.4	-168.6	-174.2	-172.4	179.8	0	110.1	E451 F486 Y536 E537 R543 V544	E451-K540 IonicContact OE1-NZ 3.17Å; E451-K540 PolarHBondContact OE1-NZ 2.92Å; F486-K540 HydrophobicContact CE2-CB 3.96Å; F486-K540 HydrophobicContact CE2-CG 4.42Å; Y536-K540 HydrophobicContact CE1-CD 3.97Å; Y536-K540 WeakPolarHBondContact O-CB 3.42Å; Y536-K540 PolarHBondContact O-N 2.78Å; E537-K540 WeakPolarHBondContact O-CB 3.44Å; E537-K540 PolarHBondContact O-N 2.71Å; E537-K540 WeakPolarHBondContact OE1-CD 3.46Å; E537-K540 WeakPolarHBondContact OE1-CE 3.43Å; E537-K540 IonicContact OE1-NZ 2.72Å; E537-K540 PolarHBondContact OE1-NZ 2.67Å; K540-R543 PolarHBondContact O-N 2.94Å; K540-V544 WeakPolarHBondContact O-CG2 3.27Å; K540-V544 PolarHBondContact O-N 3.01Å; K540-V544 VanDerWaalsContact O-N 3.12Å
541	K	97.1	Very high	96.1	Very high	138 Å²	138	45.9 Å²	45.9	60%	0.6	23%	0.234	S	C	*	.	H	α-helix	trans	-61.7	-47.9	178.2	-71.2	169	-173.8	-177.7	0	111.9	E537 R543 V544 S545	E537-K541 WeakPolarHBondContact O-CB 3.34Å; E537-K541 VanDerWaalsContact O-CG 3.23Å; E537-K541 WeakPolarHBondContact O-CG 3.48Å; E537-K541 PolarHBondContact O-N 3.25Å; K541-R543 VanDerWaalsContact C-N 3.35Å; K541-R543 PolarHBondContact O-N 3.39Å; K541-V544 PolarHBondContact O-N 3.17Å; K541-V544 VanDerWaalsContact O-N 3.13Å; K541-S545 PolarHBondContact O-N 2.95Å; K541-S545 PolarHBondContact O-OG 3.23Å
542	L	97.3	Very high	96.1	Very high	27 Å²	27	49 Å²	49	14%	0.141	25%	0.251	C	S	.	.	H	α-helix	trans	-56.8	-45.8	176.9	178.9	62.8	0	0	0	112.3	S538 V544 S545 D546 V550 I553	S538-L542 WeakPolarHBondContact O-CB 3.39Å; S538-L542 PolarHBondContact O-N 2.65Å; L542-V544 VanDerWaalsContact C-N 3.32Å; L542-V544 PolarHBondContact O-N 2.93Å; L542-S545 WeakPolarHBondContact CA-OG 3.41Å; L542-S545 PolarHBondContact O-N 2.98Å; L542-S545 PolarHBondContact O-OG 3.28Å; L542-D546 WeakPolarHBondContact O-CB 3.17Å; L542-D546 PolarHBondContact O-N 3.01Å; L542-D546 VanDerWaalsContact O-N 3.11Å; L542-V550 HydrophobicContact CD1-CG1 4.33Å; L542-V550 HydrophobicContact CD2-CG1 3.65Å; L542-V550 HydrophobicContact CG-CG1 3.9Å; L542-V550 HydrophobicContact CG-CG2 4.27Å; L542-I553 HydrophobicContact CD2-CB 4.31Å; L542-I553 HydrophobicContact CD2-CG1 3.96Å
543	R	95.4	Very high	96.1	Very high	15 Å²	15	49 Å²	49	6%	0.057	25%	0.251	C	S	.	.	H	α-helix	trans	-62.2	-37.7	177.3	-72.2	169.4	75.4	-108	3.5	112.2	N483 L539 K540 K541 N547 Y548 V550	N483-R543 VanDerWaalsContact OD1-CZ 3.26Å; N483-R543 PolarHBondContact OD1-NE 3.11Å; N483-R543 PolarHBondContact OD1-NH2 3.12Å; L539-R543 WeakPolarHBondContact O-CB 3.33Å; L539-R543 VanDerWaalsContact O-CG 3.23Å; L539-R543 WeakPolarHBondContact O-CG 3.46Å; L539-R543 PolarHBondContact O-N 3.43Å; K540-R543 PolarHBondContact O-N 2.94Å; K541-R543 VanDerWaalsContact C-N 3.35Å; K541-R543 PolarHBondContact O-N 3.39Å; R543-N547 PolarHBondContact O-N 3.38Å; R543-Y548 HydrophobicContact CB-CD1 4.28Å; R543-Y548 VanDerWaalsContact O-CA 3.3Å; R543-Y548 WeakPolarHBondContact O-CA 3.16Å; R543-Y548 PolarHBondContact O-N 3.11Å; R543-V550 HydrophobicContact CG-CG2 3.9Å
544	V	94.3	Very high	96.1	Very high	80 Å²	80	46.7 Å²	46.7	49%	0.485	24%	0.242	S	C	.	.	H	α-helix	trans	-69.8	-48.4	176.8	173.2	0	0	0	0	111.2	K540 K541 L542 D546 N547 Y548	K540-V544 WeakPolarHBondContact O-CG2 3.27Å; K540-V544 PolarHBondContact O-N 3.01Å; K540-V544 VanDerWaalsContact O-N 3.12Å; K541-V544 PolarHBondContact O-N 3.17Å; K541-V544 VanDerWaalsContact O-N 3.13Å; L542-V544 VanDerWaalsContact C-N 3.32Å; L542-V544 PolarHBondContact O-N 2.93Å; V544-D546 PolarHBondContact O-N 3.43Å; V544-N547 PolarHBondContact O-N 3.4Å; V544-N547 VanDerWaalsContact O-N 3.11Å; V544-Y548 HydrophobicContact CG2-CE1 4.35Å
545	S	95	Very high	96.1	Very high	79 Å²	79	47.3 Å²	47.3	55%	0.552	25%	0.248	S	C	*	.	H	α-helix	trans	-62.2	-28.7	-179.6	52.6	0	0	0	0	113.8	K541 L542	K541-S545 PolarHBondContact O-N 2.95Å; K541-S545 PolarHBondContact O-OG 3.23Å; L542-S545 WeakPolarHBondContact CA-OG 3.41Å; L542-S545 PolarHBondContact O-N 2.98Å; L542-S545 PolarHBondContact O-OG 3.28Å
546	D	94.1	Very high	96.1	Very high	22 Å²	22	48.3 Å²	48.3	12%	0.118	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	16.6	177.7	-84.3	-23	0	0	0	114.3	L542 V544 Y548 V549 V550 K551	L542-D546 WeakPolarHBondContact O-CB 3.17Å; L542-D546 PolarHBondContact O-N 3.01Å; L542-D546 VanDerWaalsContact O-N 3.11Å; V544-D546 PolarHBondContact O-N 3.43Å; D546-Y548 PolarHBondContact O-N 2.64Å; D546-V549 PolarHBondContact O-N 2.67Å; D546-V549 VanDerWaalsContact O-N 3.14Å; D546-V550 WeakPolarHBondContact OD2-CA 3.31Å; D546-K551 WeakPolarHBondContact OD1-CG 3.45Å; D546-K551 IonicContact OD1-NZ 2.73Å; D546-K551 PolarHBondContact OD1-NZ 3.29Å; D546-K551 PolarHBondContact OD2-N 2.77Å
547	N	92.6	Very high	96.1	Very high	116 Å²	116	48 Å²	48	62%	0.62	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	40.3	180	-61	-78.6	0	0	0	113.1	R543 V544 V549	R543-N547 PolarHBondContact O-N 3.38Å; V544-N547 PolarHBondContact O-N 3.4Å; V544-N547 VanDerWaalsContact O-N 3.11Å; N547-V549 VanDerWaalsContact C-N 3.26Å; N547-V549 PolarHBondContact O-N 2.97Å
548	Y	92.4	Very high	96.1	Very high	61 Å²	61	48.9 Å²	48.9	24%	0.239	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	13.8	180	-52.1	-83.5	0	0	0	116.3	L462 R543 V544 D546	L462-Y548 HydrophobicContact CB-CD1 3.9Å; L462-Y548 HydrophobicContact CB-CD2 3.46Å; L462-Y548 VanDerWaalsContact CB-CD2 3.46Å; L462-Y548 HydrophobicContact CB-CE1 4.12Å; L462-Y548 HydrophobicContact CB-CE2 3.71Å; L462-Y548 HydrophobicContact CB-CG 3.56Å; L462-Y548 HydrophobicContact CD1-CD1 3.71Å; L462-Y548 HydrophobicContact CD1-CE1 3.52Å; L462-Y548 HydrophobicContact CD1-CE2 4.49Å; L462-Y548 HydrophobicContact CD1-CG 4.27Å; L462-Y548 HydrophobicContact CG-CD1 4.48Å; L462-Y548 HydrophobicContact CG-CE1 4.41Å; R543-Y548 HydrophobicContact CB-CD1 4.28Å; R543-Y548 VanDerWaalsContact O-CA 3.3Å; R543-Y548 WeakPolarHBondContact O-CA 3.16Å; R543-Y548 PolarHBondContact O-N 3.11Å; V544-Y548 HydrophobicContact CG2-CE1 4.35Å; D546-Y548 PolarHBondContact O-N 2.64Å
549	V	94.4	Very high	96	Very high	16 Å²	16	51.8 Å²	51.8	10%	0.097	27%	0.271	C	S	.	.	S	Bend	trans	-127.2	87.5	172.1	-178.6	0	0	0	0	109	W459 A463 T467 L471 Q479 D546 N547 K551	W459-V549 HydrophobicContact CZ3-CG2 4.49Å; A463-V549 HydrophobicContact CB-CG2 3.85Å; T467-V549 HydrophobicContact CG2-CB 4.27Å; T467-V549 HydrophobicContact CG2-CG1 4.37Å; T467-V549 HydrophobicContact CG2-CG2 3.82Å; L471-V549 HydrophobicContact CD1-CG1 4.46Å; L471-V549 HydrophobicContact CD2-CG1 3.9Å; Q479-V549 HydrophobicContact CG-CG1 4.16Å; D546-V549 PolarHBondContact O-N 2.67Å; D546-V549 VanDerWaalsContact O-N 3.14Å; N547-V549 VanDerWaalsContact C-N 3.26Å; N547-V549 PolarHBondContact O-N 2.97Å; V549-K551 PolarHBondContact O-N 2.85Å
550	V	95.9	Very high	96	Very high	1 Å²	1	52 Å²	52	1%	0.006	27%	0.271	C	S	.	.			trans	-62.3	122.1	-168.6	175.3	0	0	0	0	111.9	R478 Q479 I482 L542 R543 D546 I553	R478-V550 PolarHBondContact NH1-O 2.63Å; R478-V550 PolarHBondContact NH2-O 3.18Å; Q479-V550 VanDerWaalsContact NE2-N 3.15Å; Q479-V550 PolarHBondContact NE2-O 2.71Å; I482-V550 HydrophobicContact CD1-CB 4.25Å; I482-V550 HydrophobicContact CD1-CG1 4.34Å; I482-V550 HydrophobicContact CG2-CB 4.2Å; I482-V550 HydrophobicContact CG2-CG2 3.94Å; L542-V550 HydrophobicContact CD1-CG1 4.33Å; L542-V550 HydrophobicContact CD2-CG1 3.65Å; L542-V550 HydrophobicContact CG-CG1 3.9Å; L542-V550 HydrophobicContact CG-CG2 4.27Å; R543-V550 HydrophobicContact CG-CG2 3.9Å; D546-V550 WeakPolarHBondContact OD2-CA 3.31Å; V550-I553 HydrophobicContact CG1-CB 4.07Å
551	K	94.1	Very high	96.1	Very high	143 Å²	143	49.7 Å²	49.7	62%	0.622	26%	0.261	S	S	*	.	S	Bend	trans	-80.7	-44.9	-176.5	-61.1	-170.6	-159.9	90.2	0	112.1	R478 D546 V549	R478-K551 PolarHBondContact NH2-O 3.03Å; D546-K551 WeakPolarHBondContact OD1-CG 3.45Å; D546-K551 IonicContact OD1-NZ 2.73Å; D546-K551 PolarHBondContact OD1-NZ 3.29Å; D546-K551 PolarHBondContact OD2-N 2.77Å; V549-K551 PolarHBondContact O-N 2.85Å
552	N	96.8	Very high	96	Very high	72 Å²	72	43.7 Å²	43.7	39%	0.385	24%	0.238	S	C	.	.			trans	-144.3	124.7	177.3	-177.6	-20.3	0	0	0	109.6	S554 P555 E645	N552-S554 PolarHBondContact OD1-N 3.35Å; N552-P555 VanDerWaalsContact OD1-CD 3.26Å; N552-P555 WeakPolarHBondContact OD1-CD 3.34Å; N552-E645 WeakPolarHBondContact CA-OE1 3.16Å
553	I	98.1	Very high	95.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.256	C	S	.	.			trans	-104.5	-13.7	-179.4	-164.5	168.5	0	0	0	113.9	I482 L485 L539 L542 V550 T556 L557 I636 E645 I649	I482-I553 HydrophobicContact CB-CD1 4.35Å; I482-I553 HydrophobicContact CD1-CB 4.47Å; I482-I553 HydrophobicContact CD1-CD1 4.27Å; I482-I553 HydrophobicContact CD1-CG2 4.33Å; I482-I553 HydrophobicContact CG1-CD1 3.83Å; I482-I553 HydrophobicContact CG2-CD1 3.88Å; L485-I553 HydrophobicContact CD2-CD1 4.29Å; L539-I553 HydrophobicContact CD2-CD1 4.05Å; L539-I553 HydrophobicContact CD2-CG1 4.43Å; L542-I553 HydrophobicContact CD2-CB 4.31Å; L542-I553 HydrophobicContact CD2-CG1 3.96Å; V550-I553 HydrophobicContact CG1-CB 4.07Å; I553-T556 PolarHBondContact O-N 3.29Å; I553-T556 VanDerWaalsContact O-N 3.12Å; I553-L557 HydrophobicContact CG1-CD1 4.33Å; I553-L557 HydrophobicContact CG1-CD2 4.44Å; I553-L557 HydrophobicContact CG1-CG 4.12Å; I553-L557 HydrophobicContact CG2-CD1 3.93Å; I553-L557 PolarHBondContact O-N 2.94Å; I553-I636 HydrophobicContact CD1-CD1 4.46Å; I553-I636 HydrophobicContact CG2-CG2 4.12Å; I553-E645 PolarHBondContact N-OE1 2.7Å; I553-E645 VanDerWaalsContact N-OE1 3.08Å; I553-I649 HydrophobicContact CG2-CD1 4.21Å; I553-I649 HydrophobicContact CG2-CG1 4.32Å
554	S	97.7	Very high	95.9	Very high	4 Å²	4	49.2 Å²	49.2	3%	0.028	29%	0.287	C	S	.	.	H	α-helix	trans	-56.8	-43	-170.5	-62	0	0	0	0	115.4	N552 T556 L557 L558 E645 S648 I649	N552-S554 PolarHBondContact OD1-N 3.35Å; S554-T556 VanDerWaalsContact C-N 3.3Å; S554-T556 PolarHBondContact O-N 3.39Å; S554-L557 PolarHBondContact O-N 3.31Å; S554-L558 PolarHBondContact O-N 2.9Å; S554-E645 WeakPolarHBondContact OG-CG 3.39Å; S554-E645 PolarHBondContact OG-O 3.08Å; S554-S648 WeakPolarHBondContact CB-OG 3.35Å; S554-I649 WeakPolarHBondContact OG-CG1 3.39Å
555	P	97.6	Very high	95.9	Very high	82 Å²	82	49.1 Å²	49.1	53%	0.532	28%	0.281	S	S	.	.	H	α-helix	trans	-59.4	-39.9	177.4	-24.9	35.1	0	0	0	112.7	N552 L557 N559	N552-P555 VanDerWaalsContact OD1-CD 3.26Å; N552-P555 WeakPolarHBondContact OD1-CD 3.34Å; P555-L557 VanDerWaalsContact C-N 3.33Å; P555-L557 PolarHBondContact O-N 3.43Å; P555-N559 WeakPolarHBondContact O-CB 3.13Å; P555-N559 PolarHBondContact O-N 3.03Å
556	T	98.1	Very high	96	Very high	24 Å²	24	45.5 Å²	45.5	15%	0.147	26%	0.257	C	S	.	.	H	α-helix	trans	-68.9	-31.7	179.6	-52.9	0	0	0	0	112.4	F535 L539 I553 S554	F535-T556 HydrophobicContact CD2-CG2 4.36Å; F535-T556 HydrophobicContact CE2-CG2 4.15Å; L539-T556 HydrophobicContact CD2-CG2 3.86Å; L539-T556 HydrophobicContact CG-CG2 4.24Å; I553-T556 PolarHBondContact O-N 3.29Å; I553-T556 VanDerWaalsContact O-N 3.12Å; S554-T556 VanDerWaalsContact C-N 3.3Å; S554-T556 PolarHBondContact O-N 3.39Å
557	L	98.4	Very high	96.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-75.8	-48.8	175.2	-59.7	174.7	0	0	0	111.6	L485 F535 I553 S554 P555 N559 R560 F561 L633 I649	L485-L557 HydrophobicContact CD2-CD2 3.94Å; F535-L557 HydrophobicContact CE2-CD2 4.32Å; F535-L557 HydrophobicContact CZ-CD2 4.09Å; I553-L557 HydrophobicContact CG1-CD1 4.33Å; I553-L557 HydrophobicContact CG1-CD2 4.44Å; I553-L557 HydrophobicContact CG1-CG 4.12Å; I553-L557 HydrophobicContact CG2-CD1 3.93Å; I553-L557 PolarHBondContact O-N 2.94Å; S554-L557 PolarHBondContact O-N 3.31Å; P555-L557 VanDerWaalsContact C-N 3.33Å; P555-L557 PolarHBondContact O-N 3.43Å; L557-N559 VanDerWaalsContact C-N 3.3Å; L557-N559 PolarHBondContact O-N 3.28Å; L557-R560 PolarHBondContact O-N 2.89Å; L557-R560 VanDerWaalsContact O-N 3.16Å; L557-F561 HydrophobicContact CD2-CE2 4.3Å; L557-F561 WeakPolarHBondContact O-CD2 3.35Å; L557-F561 PolarHBondContact O-N 3.02Å; L557-L633 HydrophobicContact CD1-CD2 4.23Å; L557-L633 HydrophobicContact CD1-CG 3.97Å; L557-L633 HydrophobicContact CD2-CD1 4.03Å; L557-L633 HydrophobicContact CD2-CD2 4.19Å; L557-L633 HydrophobicContact CD2-CG 4.13Å; L557-I649 HydrophobicContact CD1-CB 4.49Å; L557-I649 HydrophobicContact CD1-CG1 4.1Å; L557-I649 HydrophobicContact CD1-CG2 4.02Å
558	L	96.7	Very high	96.3	Very high	50 Å²	50	50.4 Å²	50.4	26%	0.262	27%	0.27	S	S	.	.	H	α-helix	trans	-61.7	-37.6	177.6	-77.7	-177.9	0	0	0	112	S554 R560 G562 S648 Q651 S652	S554-L558 PolarHBondContact O-N 2.9Å; L558-R560 PolarHBondContact O-N 2.82Å; L558-G562 CarbonylContact O-C 3.57Å; L558-G562 WeakPolarHBondContact O-CA 3.14Å; L558-G562 PolarHBondContact O-N 3.4Å; L558-S648 WeakPolarHBondContact CD1-OG 3.36Å; L558-Q651 HydrophobicContact CD2-CG 4.22Å; L558-S652 WeakPolarHBondContact CD2-OG 3.46Å
559	N	96.6	Very high	96.6	Very high	102 Å²	102	47.5 Å²	47.5	55%	0.545	26%	0.259	S	S	.	.	H	α-helix	trans	-69.2	-16.2	178.2	-168.9	87.2	0	0	0	113.9	P555 L557 E565	P555-N559 WeakPolarHBondContact O-CB 3.13Å; P555-N559 PolarHBondContact O-N 3.03Å; L557-N559 VanDerWaalsContact C-N 3.3Å; L557-N559 PolarHBondContact O-N 3.28Å; N559-E565 WeakPolarHBondContact O-CB 3.45Å; N559-E565 WeakPolarHBondContact O-CG 3.43Å
560	R	97.6	Very high	96.7	Very high	8 Å²	8	48.8 Å²	48.8	3%	0.03	26%	0.264	C	S	.	.	H	α-helix	trans	-102.1	-40.3	174.5	168.1	54	55.4	-111.1	4.2	112.7	M531 F535 L557 L558 E565 G566 F569	M531-R560 PolarHBondContact O-NE 2.92Å; M531-R560 PolarHBondContact O-NH2 3.37Å; M531-R560 VanDerWaalsContact O-NH2 3.09Å; F535-R560 HydrophobicContact CB-CG 4.08Å; F535-R560 HydrophobicContact CD1-CG 4.2Å; F535-R560 HydrophobicContact CD2-CB 3.63Å; F535-R560 HydrophobicContact CD2-CG 3.76Å; F535-R560 HydrophobicContact CE2-CB 4.01Å; F535-R560 HydrophobicContact CE2-CG 4.2Å; F535-R560 HydrophobicContact CG-CB 4.15Å; F535-R560 HydrophobicContact CG-CG 3.77Å; L557-R560 PolarHBondContact O-N 2.89Å; L557-R560 VanDerWaalsContact O-N 3.16Å; L558-R560 PolarHBondContact O-N 2.82Å; R560-E565 IonicContact CZ-OE2 3.89Å; R560-E565 IonicContact NH1-OE2 3.74Å; R560-E565 PolarHBondContact NH1-OE2 3.21Å; R560-E565 IonicContact NH2-OE2 2.7Å; R560-E565 PolarHBondContact NH2-OE2 3.1Å; R560-E565 CarbonylContact O-C 3.54Å; R560-G566 WeakPolarHBondContact O-CA 3.48Å; R560-G566 PolarHBondContact O-N 2.8Å; R560-F569 VanDerWaalsContact CD-CD2 3.45Å
561	F	98.2	Very high	96.8	Very high	3 Å²	3	55 Å²	55	1%	0.013	29%	0.291	C	S	.	.	H	α-helix	trans	-106.1	-14.6	-172.6	-55.1	-65.4	0	0	0	114.4	F535 L557 G566 F569 Y629 L633 C655 C656 I659	F535-F561 HydrophobicContact CE1-CE2 4.14Å; F535-F561 AromaticContact CE1-CZ 3.92Å; F535-F561 HydrophobicContact CE1-CZ 3.92Å; F535-F561 HydrophobicContact CE2-CE2 4.21Å; F535-F561 AromaticContact CZ-CE2 3.7Å; F535-F561 HydrophobicContact CZ-CE2 3.7Å; F535-F561 AromaticContact CZ-CZ 3.97Å; F535-F561 HydrophobicContact CZ-CZ 3.97Å; L557-F561 HydrophobicContact CD2-CE2 4.3Å; L557-F561 WeakPolarHBondContact O-CD2 3.35Å; L557-F561 PolarHBondContact O-N 3.02Å; F561-G566 WeakPolarHBondContact O-CA 3.44Å; F561-F569 HydrophobicContact CE1-CE1 4.3Å; F561-F569 HydrophobicContact CE1-CE2 4.41Å; F561-F569 HydrophobicContact CE1-CZ 4.18Å; F561-Y629 HydrophobicContact CE1-CD1 4.28Å; F561-Y629 AromaticContact CE1-CD2 3.94Å; F561-Y629 HydrophobicContact CE1-CD2 3.94Å; F561-Y629 HydrophobicContact CE1-CE1 4.45Å; F561-Y629 HydrophobicContact CE1-CE2 4.13Å; F561-Y629 HydrophobicContact CE1-CG 4.03Å; F561-Y629 HydrophobicContact CE2-CD1 4.4Å; F561-Y629 AromaticContact CZ-CD1 3.61Å; F561-Y629 HydrophobicContact CZ-CD1 3.61Å; F561-Y629 HydrophobicContact CZ-CD2 4.11Å; F561-Y629 AromaticContact CZ-CE1 3.79Å; F561-Y629 HydrophobicContact CZ-CE1 3.79Å; F561-Y629 HydrophobicContact CZ-CE2 4.27Å; F561-Y629 AromaticContact CZ-CG 3.79Å; F561-Y629 HydrophobicContact CZ-CG 3.79Å; F561-L633 HydrophobicContact CD2-CD2 4.16Å; F561-L633 HydrophobicContact CE2-CD2 4.29Å; F561-C655 HydrophobicContact CB-CB 4.29Å; F561-C655 WeakPolarHBondContact O-CB 3.46Å; F561-C656 WeakPolarHBondContact CG-SG 3.42Å; F561-I659 HydrophobicContact CB-CD1 4.42Å; F561-I659 HydrophobicContact CD1-CD1 4.33Å
562	G	94.6	Very high	96.9	Very high	12 Å²	12	48.3 Å²	48.3	12%	0.124	26%	0.262	C	S	.	.	S	Bend	trans	-100.2	161.9	176.9	0	0	0	0	0	113.1	L558 G566	L558-G562 CarbonylContact O-C 3.57Å; L558-G562 WeakPolarHBondContact O-CA 3.14Å; L558-G562 PolarHBondContact O-N 3.4Å; G562-G566 PolarHBondContact O-N 3.27Å
563	G	95	Very high	96.9	Very high	49 Å²	49	44.9 Å²	44.9	51%	0.505	24%	0.244	S	C	.	.	H	α-helix	trans	56.7	-152.9	172.8	0	0	0	0	0	114.5	E565 G566 E567	G563-E565 VanDerWaalsContact C-N 3.29Å; G563-E565 PolarHBondContact O-N 2.93Å; G563-G566 PolarHBondContact O-N 2.94Å; G563-E567 PolarHBondContact O-N 2.87Å
564	P	95.2	Very high	96.9	Very high	109 Å²	109	45.2 Å²	45.2	71%	0.708	25%	0.246	S	C	*	.	H	α-helix	trans	-59.7	-33.8	-177.1	-26.3	35.7	0	0	0	114.3	E567 W568	P564-E567 PolarHBondContact O-N 3.25Å; P564-W568 VanDerWaalsContact O-CB 3.32Å; P564-W568 WeakPolarHBondContact O-CB 3.35Å; P564-W568 PolarHBondContact O-N 3.31Å
565	E	94.6	Very high	96.8	Very high	78 Å²	78	48.9 Å²	48.9	36%	0.364	26%	0.26	S	S	.	.	H	α-helix	trans	-67.8	-37.1	175.3	-78.5	-69.3	126.7	0	0	111.8	N559 R560 G563 F569	N559-E565 WeakPolarHBondContact O-CB 3.45Å; N559-E565 WeakPolarHBondContact O-CG 3.43Å; R560-E565 IonicContact CZ-OE2 3.89Å; R560-E565 IonicContact NH1-OE2 3.74Å; R560-E565 PolarHBondContact NH1-OE2 3.21Å; R560-E565 IonicContact NH2-OE2 2.7Å; R560-E565 PolarHBondContact NH2-OE2 3.1Å; R560-E565 CarbonylContact O-C 3.54Å; G563-E565 VanDerWaalsContact C-N 3.29Å; G563-E565 PolarHBondContact O-N 2.93Å; E565-F569 VanDerWaalsContact O-CB 3.26Å; E565-F569 WeakPolarHBondContact O-CB 3.49Å; E565-F569 PolarHBondContact O-N 2.98Å
566	G	97.3	Very high	96.8	Very high	4 Å²	4	45.2 Å²	45.2	4%	0.041	24%	0.235	C	C	.	.	H	α-helix	trans	-67.4	-38.6	172.9	0	0	0	0	0	113.4	R560 F561 G562 G563 F569 Q570	R560-G566 WeakPolarHBondContact O-CA 3.48Å; R560-G566 PolarHBondContact O-N 2.8Å; F561-G566 WeakPolarHBondContact O-CA 3.44Å; G562-G566 PolarHBondContact O-N 3.27Å; G563-G566 PolarHBondContact O-N 2.94Å; G566-F569 PolarHBondContact O-N 3.12Å; G566-Q570 WeakPolarHBondContact O-CB 3.3Å; G566-Q570 PolarHBondContact O-N 3.11Å
567	E	97	Very high	96.8	Very high	135 Å²	135	44.1 Å²	44.1	63%	0.631	23%	0.229	S	C	*	.	H	α-helix	trans	-68.2	-40.1	173.7	-68.8	178.3	-177.6	0	0	111.9	G563 P564 Q570 K571	G563-E567 PolarHBondContact O-N 2.87Å; P564-E567 PolarHBondContact O-N 3.25Å; E567-Q570 WeakPolarHBondContact O-CB 3.49Å; E567-Q570 PolarHBondContact O-N 2.84Å; E567-K571 WeakPolarHBondContact O-CB 3.3Å; E567-K571 PolarHBondContact O-N 3.47Å
568	W	96.3	Very high	96.6	Very high	105 Å²	105	44.6 Å²	44.6	40%	0.398	23%	0.232	S	C	.	.	H	α-helix	trans	-64.3	-42.4	173.4	-174.4	-125.1	0	0	0	111.4	M531 P564 K571 L572	M531-W568 HydrophobicContact CE-CB 4.27Å; M531-W568 HydrophobicContact CE-CG 3.82Å; P564-W568 VanDerWaalsContact O-CB 3.32Å; P564-W568 WeakPolarHBondContact O-CB 3.35Å; P564-W568 PolarHBondContact O-N 3.31Å; W568-K571 HydrophobicContact CE3-CD 4.03Å; W568-K571 HydrophobicContact CZ3-CD 3.9Å; W568-K571 PolarHBondContact O-N 3.07Å; W568-L572 HydrophobicContact CD2-CD1 4.44Å; W568-L572 HydrophobicContact CD2-CG 4.3Å; W568-L572 HydrophobicContact CH2-CD2 3.93Å; W568-L572 HydrophobicContact CH2-CG 4.45Å; W568-L572 HydrophobicContact CZ2-CD1 3.88Å; W568-L572 HydrophobicContact CZ2-CD2 3.84Å; W568-L572 HydrophobicContact CZ2-CG 4.04Å; W568-L572 HydrophobicContact CZ3-CD2 4.45Å; W568-L572 PolarHBondContact O-N 2.89Å
569	F	98	Very high	96.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.1	-45.1	173.2	-177.4	-81.6	0	0	0	112.3	M531 H532 R560 F561 E565 G566 K571 T573 L626 Y629 I659	M531-F569 VanDerWaalsContact CE-CA 3.46Å; M531-F569 HydrophobicContact CE-CB 3.96Å; M531-F569 HydrophobicContact CE-CD2 4.5Å; M531-F569 HydrophobicContact CG-CD2 3.74Å; M531-F569 HydrophobicContact CG-CE2 4.37Å; M531-F569 VanDerWaalsContact SD-CA 3.51Å; M531-F569 HydrophobicContact SD-CB 3.81Å; M531-F569 HydrophobicContact SD-CD2 3.37Å; M531-F569 WeakPolarHBondContact SD-CD2 2.99Å; M531-F569 HydrophobicContact SD-CE2 4.21Å; M531-F569 HydrophobicContact SD-CG 3.91Å; H532-F569 AromaticContact CE1-CE2 3.68Å; H532-F569 AromaticContact CE1-CZ 3.95Å; H532-F569 AromaticContact NE2-CE2 3.93Å; R560-F569 VanDerWaalsContact CD-CD2 3.45Å; F561-F569 HydrophobicContact CE1-CE1 4.3Å; F561-F569 HydrophobicContact CE1-CE2 4.41Å; F561-F569 HydrophobicContact CE1-CZ 4.18Å; E565-F569 VanDerWaalsContact O-CB 3.26Å; E565-F569 WeakPolarHBondContact O-CB 3.49Å; E565-F569 PolarHBondContact O-N 2.98Å; G566-F569 PolarHBondContact O-N 3.12Å; F569-K571 PolarHBondContact O-N 3.24Å; F569-T573 VanDerWaalsContact O-CB 3.25Å; F569-T573 WeakPolarHBondContact O-CB 3.14Å; F569-T573 PolarHBondContact O-N 3Å; F569-T573 PolarHBondContact O-OG1 2.89Å; F569-L626 HydrophobicContact CE1-CD1 3.85Å; F569-L626 HydrophobicContact CZ-CD1 4.48Å; F569-Y629 AromaticContact CZ-CE2 3.92Å; F569-Y629 HydrophobicContact CZ-CE2 3.92Å; F569-I659 HydrophobicContact CD1-CD1 4.1Å; F569-I659 HydrophobicContact CD1-CG2 3.9Å; F569-I659 HydrophobicContact CE1-CG2 4.02Å
570	Q	98.2	Very high	96.4	Very high	44 Å²	44	42.6 Å²	42.6	21%	0.206	22%	0.215	C	C	.	.	H	α-helix	trans	-58.5	-45.5	174.2	-170.7	-178.3	57.1	0	0	112.1	G566 E567 A574 I659 H662	G566-Q570 WeakPolarHBondContact O-CB 3.3Å; G566-Q570 PolarHBondContact O-N 3.11Å; E567-Q570 WeakPolarHBondContact O-CB 3.49Å; E567-Q570 PolarHBondContact O-N 2.84Å; Q570-A574 WeakPolarHBondContact O-CB 3.31Å; Q570-A574 PolarHBondContact O-N 2.84Å; Q570-I659 HydrophobicContact CB-CG1 4.14Å; Q570-I659 HydrophobicContact CB-CG2 4.13Å; Q570-I659 HydrophobicContact CG-CG1 4.4Å; Q570-I659 HydrophobicContact CG-CG2 4.22Å; Q570-H662 HydrophobicContact CG-CB 4.04Å
571	K	97.1	Very high	96.2	Very high	131 Å²	131	46.2 Å²	46.2	57%	0.57	24%	0.239	S	C	*	.	H	α-helix	trans	-64.8	-47.6	-178.1	-178.1	175.1	174.9	179.6	0	112.4	E567 W568 F569 R575	E567-K571 WeakPolarHBondContact O-CB 3.3Å; E567-K571 PolarHBondContact O-N 3.47Å; W568-K571 HydrophobicContact CE3-CD 4.03Å; W568-K571 HydrophobicContact CZ3-CD 3.9Å; W568-K571 PolarHBondContact O-N 3.07Å; F569-K571 PolarHBondContact O-N 3.24Å; K571-R575 WeakPolarHBondContact O-CB 3.13Å; K571-R575 PolarHBondContact O-N 3.44Å; K571-R575 VanDerWaalsContact O-N 3.1Å
572	L	96.3	Very high	95.9	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.016	25%	0.25	C	S	.	.	H	α-helix	trans	-68.4	-48.1	179.5	-66.5	-172.6	0	0	0	111.7	E527 I528 M531 W568 A574 R575 F576	E527-L572 HydrophobicContact CB-CD1 3.57Å; E527-L572 HydrophobicContact CB-CD2 4.46Å; I528-L572 HydrophobicContact CD1-CB 4.34Å; I528-L572 HydrophobicContact CG1-CB 3.79Å; I528-L572 HydrophobicContact CG1-CD1 4.41Å; M531-L572 HydrophobicContact CE-CD1 3.73Å; M531-L572 HydrophobicContact CE-CG 4.4Å; M531-L572 HydrophobicContact SD-CB 4.45Å; M531-L572 HydrophobicContact SD-CD1 4.05Å; W568-L572 HydrophobicContact CD2-CD1 4.44Å; W568-L572 HydrophobicContact CD2-CG 4.3Å; W568-L572 HydrophobicContact CH2-CD2 3.93Å; W568-L572 HydrophobicContact CH2-CG 4.45Å; W568-L572 HydrophobicContact CZ2-CD1 3.88Å; W568-L572 HydrophobicContact CZ2-CD2 3.84Å; W568-L572 HydrophobicContact CZ2-CG 4.04Å; W568-L572 HydrophobicContact CZ3-CD2 4.45Å; W568-L572 PolarHBondContact O-N 2.89Å; L572-A574 VanDerWaalsContact C-N 3.3Å; L572-A574 PolarHBondContact O-N 3.24Å; L572-R575 WeakPolarHBondContact O-CA 3.47Å; L572-R575 WeakPolarHBondContact O-CB 3.21Å; L572-R575 PolarHBondContact O-N 3.09Å; L572-F576 PolarHBondContact O-N 3.46Å
573	T	97.4	Very high	95.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.7	-36.6	179.5	-51.7	0	0	0	0	111.9	F569 C577 E622 L626 V663	F569-T573 VanDerWaalsContact O-CB 3.25Å; F569-T573 WeakPolarHBondContact O-CB 3.14Å; F569-T573 PolarHBondContact O-N 3Å; F569-T573 PolarHBondContact O-OG1 2.89Å; T573-C577 VanDerWaalsContact O-CB 3.24Å; T573-C577 WeakPolarHBondContact O-CB 3.49Å; T573-C577 PolarHBondContact O-N 3.43Å; T573-C577 PolarHBondContact O-SG 2.98Å; T573-C577 VanDerWaalsContact O-SG 3.35Å; T573-E622 HydrophobicContact CG2-CG 4.13Å; T573-E622 WeakPolarHBondContact CG2-OE1 3.26Å; T573-L626 HydrophobicContact CG2-CD1 4.47Å; T573-L626 HydrophobicContact CG2-CD2 3.89Å; T573-V663 HydrophobicContact CG2-CG2 4.2Å
574	A	97.4	Very high	95.9	Very high	6 Å²	6	48.5 Å²	48.5	5%	0.05	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-42.3	171.9	0	0	0	0	0	112.1	Q570 L572 F576 S578 V663 E666	Q570-A574 WeakPolarHBondContact O-CB 3.31Å; Q570-A574 PolarHBondContact O-N 2.84Å; L572-A574 VanDerWaalsContact C-N 3.3Å; L572-A574 PolarHBondContact O-N 3.24Å; A574-F576 PolarHBondContact O-N 3.45Å; A574-S578 WeakPolarHBondContact O-CB 3.26Å; A574-S578 PolarHBondContact O-N 3.23Å; A574-S578 PolarHBondContact O-OG 2.94Å; A574-V663 HydrophobicContact CB-CG2 4.03Å; A574-E666 HydrophobicContact CB-CB 4.31Å; A574-E666 HydrophobicContact CB-CG 4.44Å
575	R	95.6	Very high	95.8	Very high	82 Å²	82	46.5 Å²	46.5	31%	0.309	22%	0.215	S	C	.	.	H	α-helix	trans	-62	-41.7	179.6	-163.8	167.7	99.7	92.1	-13.7	112	E519 P523 S524 K571 L572 S578 Y579	E519-R575 IonicContact OE1-CZ 2.7Å; E519-R575 IonicContact OE1-NH1 3.13Å; E519-R575 PolarHBondContact OE1-NH1 3.4Å; E519-R575 IonicContact OE1-NH2 3.7Å; E519-R575 PolarHBondContact OE1-NH2 3.33Å; E519-R575 IonicContact OE2-NH2 3.63Å; P523-R575 HydrophobicContact CB-CG 4.23Å; P523-R575 WeakPolarHBondContact CG-O 3.36Å; S524-R575 VanDerWaalsContact N-NH2 3.15Å; S524-R575 VanDerWaalsContact OG-CZ 3.31Å; S524-R575 PolarHBondContact OG-NE 2.91Å; S524-R575 PolarHBondContact OG-NH2 2.65Å; K571-R575 WeakPolarHBondContact O-CB 3.13Å; K571-R575 PolarHBondContact O-N 3.44Å; K571-R575 VanDerWaalsContact O-N 3.1Å; L572-R575 WeakPolarHBondContact O-CA 3.47Å; L572-R575 WeakPolarHBondContact O-CB 3.21Å; L572-R575 PolarHBondContact O-N 3.09Å; R575-S578 PolarHBondContact O-OG 3.41Å; R575-Y579 VanDerWaalsContact O-CD2 3.29Å; R575-Y579 WeakPolarHBondContact O-CD2 3.46Å
576	F	96.9	Very high	95.7	Very high	5 Å²	5	44.5 Å²	44.5	2%	0.022	21%	0.206	C	C	.	.	H	α-helix	trans	-76.1	-54.5	177.5	-171.6	-90.1	0	0	0	112.9	L499 L525 I528 L572 A574 S578 Y579 Q580 I619 E622	L499-F576 HydrophobicContact CD2-CE2 4.36Å; L499-F576 HydrophobicContact CD2-CZ 3.82Å; L525-F576 HydrophobicContact CD1-CE2 4.16Å; I528-F576 HydrophobicContact CD1-CB 3.37Å; I528-F576 HydrophobicContact CD1-CD2 4.12Å; I528-F576 HydrophobicContact CD1-CG 3.9Å; L572-F576 PolarHBondContact O-N 3.46Å; A574-F576 PolarHBondContact O-N 3.45Å; F576-S578 VanDerWaalsContact C-N 3.32Å; F576-S578 PolarHBondContact O-N 3.27Å; F576-Y579 PolarHBondContact O-N 3.16Å; F576-Q580 PolarHBondContact O-N 2.87Å; F576-I619 HydrophobicContact CE1-CG2 4.25Å; F576-I619 HydrophobicContact CZ-CG2 4.25Å; F576-E622 HydrophobicContact CD1-CB 3.79Å; F576-E622 HydrophobicContact CD1-CG 3.86Å; F576-E622 HydrophobicContact CE1-CB 3.83Å; F576-E622 HydrophobicContact CE1-CG 4.36Å
577	C	97.5	Very high	95.6	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.007	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-38.3	-176.6	-71.2	0	0	0	0	113	T573 Y579 Q580 M623 V663 V667	T573-C577 VanDerWaalsContact O-CB 3.24Å; T573-C577 WeakPolarHBondContact O-CB 3.49Å; T573-C577 PolarHBondContact O-N 3.43Å; T573-C577 PolarHBondContact O-SG 2.98Å; T573-C577 VanDerWaalsContact O-SG 3.35Å; C577-Y579 VanDerWaalsContact C-N 3.26Å; C577-Y579 PolarHBondContact O-N 3.25Å; C577-Q580 WeakPolarHBondContact O-CB 3.42Å; C577-Q580 PolarHBondContact O-N 2.71Å; C577-Q580 VanDerWaalsContact O-N 3.13Å; C577-M623 HydrophobicContact CB-CE 3.97Å; C577-V663 HydrophobicContact CB-CG1 3.55Å; C577-V667 HydrophobicContact CB-CG2 4.03Å
578	S	96.1	Very high	95.6	Very high	10 Å²	10	43 Å²	43	7%	0.07	20%	0.196	C	C	.	.	H	α-helix	trans	-63.6	-31.1	-179.6	61.9	0	0	0	0	113.3	A574 R575 F576 M670	A574-S578 WeakPolarHBondContact O-CB 3.26Å; A574-S578 PolarHBondContact O-N 3.23Å; A574-S578 PolarHBondContact O-OG 2.94Å; R575-S578 PolarHBondContact O-OG 3.41Å; F576-S578 VanDerWaalsContact C-N 3.32Å; F576-S578 PolarHBondContact O-N 3.27Å; S578-M670 VanDerWaalsContact O-CG 3.25Å; S578-M670 WeakPolarHBondContact O-CG 3.35Å
579	Y	94.7	Very high	95.5	Very high	70 Å²	70	41.5 Å²	41.5	28%	0.275	19%	0.194	S	C	.	.	H	α-helix	trans	-81.7	-12.2	176.6	-83	-104.2	0	0	0	113.9	P523 R575 F576 C577 T581 Y582 A583 M670	P523-Y579 HydrophobicContact CG-CD2 4.11Å; P523-Y579 HydrophobicContact CG-CG 3.94Å; R575-Y579 VanDerWaalsContact O-CD2 3.29Å; R575-Y579 WeakPolarHBondContact O-CD2 3.46Å; F576-Y579 PolarHBondContact O-N 3.16Å; C577-Y579 VanDerWaalsContact C-N 3.26Å; C577-Y579 PolarHBondContact O-N 3.25Å; Y579-T581 PolarHBondContact O-N 3.42Å; Y579-Y582 AromaticContact CD1-CD1 3.94Å; Y579-Y582 HydrophobicContact CD1-CD1 3.94Å; Y579-Y582 HydrophobicContact CE1-CD1 4.5Å; Y579-Y582 WeakPolarHBondContact O-CA 3.12Å; Y579-Y582 WeakPolarHBondContact O-CB 3.38Å; Y579-Y582 PolarHBondContact O-N 3.09Å; Y579-A583 PolarHBondContact O-N 3.18Å; Y579-M670 HydrophobicContact CD2-CE 4.09Å; Y579-M670 HydrophobicContact CE2-CE 3.47Å; Y579-M670 VanDerWaalsContact CE2-CE 3.47Å
580	Q	94	Very high	95.4	Very high	39 Å²	39	44.3 Å²	44.3	18%	0.182	20%	0.204	C	C	.	.	H	α-helix	trans	-45.7	-52	-175.9	178	-177.4	-41.5	0	0	113.6	F576 C577 Y582 A583 L584 I619	F576-Q580 PolarHBondContact O-N 2.87Å; C577-Q580 WeakPolarHBondContact O-CB 3.42Å; C577-Q580 PolarHBondContact O-N 2.71Å; C577-Q580 VanDerWaalsContact O-N 3.13Å; Q580-Y582 VanDerWaalsContact C-N 3.34Å; Q580-Y582 PolarHBondContact O-N 3.17Å; Q580-A583 PolarHBondContact O-N 3.14Å; Q580-L584 HydrophobicContact CG-CD1 3.92Å; Q580-L584 WeakPolarHBondContact O-CB 3.44Å; Q580-L584 WeakPolarHBondContact O-CG 3.3Å; Q580-L584 PolarHBondContact O-N 3.35Å; Q580-I619 HydrophobicContact CG-CG2 4.2Å
581	T	92.1	Very high	95.2	Very high	85 Å²	85	45 Å²	45	52%	0.521	21%	0.208	S	C	.	.	H	α-helix	trans	-64.5	-38.4	-178.6	-58.1	0	0	0	0	112.1	Y579 D585	Y579-T581 PolarHBondContact O-N 3.42Å; T581-D585 PolarHBondContact O-N 2.76Å; T581-D585 VanDerWaalsContact O-N 3.16Å
582	Y	92	Very high	95.1	Very high	66 Å²	66	46.3 Å²	46.3	26%	0.259	21%	0.213	S	C	.	.	H	α-helix	trans	-68.6	-47.4	176.8	172.8	-99.5	0	0	0	111.5	T520 Y579 Q580 L584 D585 Q586 L674	T520-Y582 WeakPolarHBondContact O-CD1 3.06Å; T520-Y582 VanDerWaalsContact O-CE1 3.3Å; T520-Y582 WeakPolarHBondContact O-CE1 3.48Å; Y579-Y582 AromaticContact CD1-CD1 3.94Å; Y579-Y582 HydrophobicContact CD1-CD1 3.94Å; Y579-Y582 HydrophobicContact CE1-CD1 4.5Å; Y579-Y582 WeakPolarHBondContact O-CA 3.12Å; Y579-Y582 WeakPolarHBondContact O-CB 3.38Å; Y579-Y582 PolarHBondContact O-N 3.09Å; Q580-Y582 VanDerWaalsContact C-N 3.34Å; Q580-Y582 PolarHBondContact O-N 3.17Å; Y582-L584 PolarHBondContact O-N 3.29Å; Y582-D585 PolarHBondContact O-N 3.37Å; Y582-Q586 HydrophobicContact CD1-CG 4.08Å; Y582-Q586 HydrophobicContact CD2-CG 4.06Å; Y582-Q586 HydrophobicContact CE1-CG 3.77Å; Y582-Q586 HydrophobicContact CE2-CG 3.73Å; Y582-Q586 HydrophobicContact CG-CG 4.23Å; Y582-Q586 WeakPolarHBondContact O-CB 3.45Å; Y582-Q586 WeakPolarHBondContact O-CG 3.21Å; Y582-Q586 PolarHBondContact O-N 3.2Å; Y582-Q586 PolarHBondContact OH-NE2 3.25Å; Y582-L674 HydrophobicContact CD2-CD2 3.76Å; Y582-L674 HydrophobicContact CE2-CD2 4.46Å; Y582-L674 HydrophobicContact CG-CD2 4.41Å
583	A	95.2	Very high	95.1	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-55	-49.9	176.3	0	0	0	0	0	111.3	I521 Y579 Q580 D585 Q586 I587	I521-A583 HydrophobicContact CB-CB 4.46Å; I521-A583 HydrophobicContact CG2-CB 4.03Å; I521-A583 VanDerWaalsContact O-CB 3.26Å; I521-A583 WeakPolarHBondContact O-CB 3.4Å; Y579-A583 PolarHBondContact O-N 3.18Å; Q580-A583 PolarHBondContact O-N 3.14Å; A583-D585 PolarHBondContact O-N 3.19Å; A583-Q586 PolarHBondContact O-N 2.98Å; A583-I587 WeakPolarHBondContact O-CB 3.42Å; A583-I587 WeakPolarHBondContact O-CD1 3.29Å; A583-I587 VanDerWaalsContact O-CG1 3.26Å; A583-I587 WeakPolarHBondContact O-CG1 3.17Å; A583-I587 PolarHBondContact O-N 3.01Å
584	L	95.3	Very high	95.1	Very high	44 Å²	44	56.3 Å²	56.3	23%	0.23	26%	0.259	C	S	.	.	H	α-helix	trans	-60	-44.4	178.4	-70.1	171.3	0	0	0	112.6	Q580 Y582 K588 K616 I619 P620	Q580-L584 HydrophobicContact CG-CD1 3.92Å; Q580-L584 WeakPolarHBondContact O-CB 3.44Å; Q580-L584 WeakPolarHBondContact O-CG 3.3Å; Q580-L584 PolarHBondContact O-N 3.35Å; Y582-L584 PolarHBondContact O-N 3.29Å; L584-K588 WeakPolarHBondContact O-CB 3.44Å; L584-K588 PolarHBondContact O-N 3.05Å; L584-K616 HydrophobicContact CD2-CB 3.95Å; L584-K616 WeakPolarHBondContact CD2-O 3.31Å; L584-I619 HydrophobicContact CD2-CD1 4.21Å; L584-P620 HydrophobicContact CD1-CG 4.48Å
585	D	92.9	Very high	95	Very high	68 Å²	68	59.9 Å²	59.9	36%	0.364	29%	0.289	S	S	.	.	H	α-helix	trans	-74.4	-26.7	177.4	-103.8	-31	0	0	0	113.6	T581 Y582 A583 K588 Q589	T581-D585 PolarHBondContact O-N 2.76Å; T581-D585 VanDerWaalsContact O-N 3.16Å; Y582-D585 PolarHBondContact O-N 3.37Å; A583-D585 PolarHBondContact O-N 3.19Å; D585-K588 VanDerWaalsContact OD1-CD 3.31Å; D585-K588 WeakPolarHBondContact OD1-CD 3.14Å; D585-K588 WeakPolarHBondContact OD1-CE 3.19Å; D585-K588 IonicContact OD1-NZ 2.69Å; D585-K588 PolarHBondContact OD1-NZ 2.85Å; D585-K588 IonicContact OD2-NZ 2.71Å; D585-Q589 VanDerWaalsContact O-CB 3.28Å; D585-Q589 WeakPolarHBondContact O-CB 3.42Å; D585-Q589 VanDerWaalsContact O-CG 3.22Å; D585-Q589 WeakPolarHBondContact O-CG 3.4Å; D585-Q589 PolarHBondContact O-N 3.4Å; D585-Q589 PolarHBondContact O-NE2 2.74Å
586	Q	93.2	Very high	95.1	Very high	36 Å²	36	61.8 Å²	61.8	17%	0.168	30%	0.296	C	S	.	.	H	α-helix	trans	-70.1	-47.9	172.3	-74.7	-75.6	89.4	0	0	111.4	I521 Y582 A583 K588 Q589 R590	I521-Q586 HydrophobicContact CD1-CB 4.38Å; I521-Q586 HydrophobicContact CG1-CB 4.38Å; Y582-Q586 HydrophobicContact CD1-CG 4.08Å; Y582-Q586 HydrophobicContact CD2-CG 4.06Å; Y582-Q586 HydrophobicContact CE1-CG 3.77Å; Y582-Q586 HydrophobicContact CE2-CG 3.73Å; Y582-Q586 HydrophobicContact CG-CG 4.23Å; Y582-Q586 WeakPolarHBondContact O-CB 3.45Å; Y582-Q586 WeakPolarHBondContact O-CG 3.21Å; Y582-Q586 PolarHBondContact O-N 3.2Å; Y582-Q586 PolarHBondContact OH-NE2 3.25Å; A583-Q586 PolarHBondContact O-N 2.98Å; Q586-K588 PolarHBondContact O-N 3.33Å; Q586-Q589 PolarHBondContact O-N 3.14Å; Q586-Q589 VanDerWaalsContact O-N 3.12Å; Q586-R590 WeakPolarHBondContact O-CG 3.23Å; Q586-R590 PolarHBondContact O-N 3.41Å
587	I	95.4	Very high	95.1	Very high	8 Å²	8	61.6 Å²	61.6	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-56.6	-51.2	174.6	-68.4	159.6	0	0	0	110.1	I521 A583 Q589 R590 Q591 F597 L615 I619	I521-I587 HydrophobicContact CG2-CD1 3.85Å; I521-I587 HydrophobicContact CG2-CG1 4.06Å; A583-I587 WeakPolarHBondContact O-CB 3.42Å; A583-I587 WeakPolarHBondContact O-CD1 3.29Å; A583-I587 VanDerWaalsContact O-CG1 3.26Å; A583-I587 WeakPolarHBondContact O-CG1 3.17Å; A583-I587 PolarHBondContact O-N 3.01Å; I587-Q589 PolarHBondContact O-N 3.29Å; I587-R590 PolarHBondContact O-N 2.84Å; I587-R590 VanDerWaalsContact O-N 3.11Å; I587-Q591 HydrophobicContact CG2-CG 4.45Å; I587-Q591 WeakPolarHBondContact O-CB 3.44Å; I587-Q591 WeakPolarHBondContact O-CG 3.45Å; I587-Q591 PolarHBondContact O-N 3.02Å; I587-F597 HydrophobicContact CG1-CZ 4.33Å; I587-F597 HydrophobicContact CG2-CE1 4.06Å; I587-F597 HydrophobicContact CG2-CZ 4.22Å; I587-L615 HydrophobicContact CD1-CD2 3.79Å; I587-L615 HydrophobicContact CD1-CG 4.16Å; I587-L615 HydrophobicContact CG1-CD2 4.34Å; I587-L615 HydrophobicContact CG2-CD2 4.24Å; I587-I619 HydrophobicContact CD1-CD1 3.39Å
588	K	95.9	Very high	95.1	Very high	98 Å²	98	63.5 Å²	63.5	43%	0.426	31%	0.305	S	S	.	.	H	α-helix	trans	-64	-19.6	177.1	172.9	178.2	155.1	-151.7	0	114.4	L584 D585 Q586 K592	L584-K588 WeakPolarHBondContact O-CB 3.44Å; L584-K588 PolarHBondContact O-N 3.05Å; D585-K588 VanDerWaalsContact OD1-CD 3.31Å; D585-K588 WeakPolarHBondContact OD1-CD 3.14Å; D585-K588 WeakPolarHBondContact OD1-CE 3.19Å; D585-K588 IonicContact OD1-NZ 2.69Å; D585-K588 PolarHBondContact OD1-NZ 2.85Å; D585-K588 IonicContact OD2-NZ 2.71Å; Q586-K588 PolarHBondContact O-N 3.33Å; K588-K592 WeakPolarHBondContact O-CD 3.5Å; K588-K592 VanDerWaalsContact O-CE 3.22Å; K588-K592 WeakPolarHBondContact O-CE 3.4Å; K588-K592 WeakPolarHBondContact O-CG 3.39Å
589	Q	94.4	Very high	95.2	Very high	74 Å²	74	65.6 Å²	65.6	35%	0.346	32%	0.323	S	S	.	.	H	α-helix	trans	-86.2	-41.3	169.3	-84.4	-175.1	78.1	0	0	112.1	D585 Q586 I587 K592 K593	D585-Q589 VanDerWaalsContact O-CB 3.28Å; D585-Q589 WeakPolarHBondContact O-CB 3.42Å; D585-Q589 VanDerWaalsContact O-CG 3.22Å; D585-Q589 WeakPolarHBondContact O-CG 3.4Å; D585-Q589 PolarHBondContact O-N 3.4Å; D585-Q589 PolarHBondContact O-NE2 2.74Å; Q586-Q589 PolarHBondContact O-N 3.14Å; Q586-Q589 VanDerWaalsContact O-N 3.12Å; I587-Q589 PolarHBondContact O-N 3.29Å; Q589-K592 PolarHBondContact O-N 3.39Å; Q589-K593 VanDerWaalsContact O-CG 3.3Å; Q589-K593 WeakPolarHBondContact O-CG 3.37Å; Q589-K593 PolarHBondContact O-N 3.45Å
590	R	94.8	Very high	95.3	Very high	59 Å²	59	63 Å²	63	22%	0.223	31%	0.313	C	S	.	.	H	α-helix	trans	-65.5	-46.8	178.2	-72.3	-176.9	179.8	-106.7	-1.9	111	D517 Q586 I587 K592 K593 D594 F597	D517-R590 IonicContact OD1-CZ 3.25Å; D517-R590 IonicContact OD1-NH2 3.46Å; D517-R590 PolarHBondContact OD1-NH2 3.48Å; D517-R590 IonicContact OD2-CZ 3.39Å; D517-R590 IonicContact OD2-NH1 3.91Å; D517-R590 PolarHBondContact OD2-NH1 2.82Å; D517-R590 IonicContact OD2-NH2 3.36Å; D517-R590 PolarHBondContact OD2-NH2 2.89Å; Q586-R590 WeakPolarHBondContact O-CG 3.23Å; Q586-R590 PolarHBondContact O-N 3.41Å; I587-R590 PolarHBondContact O-N 2.84Å; I587-R590 VanDerWaalsContact O-N 3.11Å; R590-K592 PolarHBondContact O-N 2.93Å; R590-K593 PolarHBondContact O-N 2.76Å; R590-D594 PolarHBondContact O-N 3.16Å; R590-F597 HydrophobicContact CB-CD1 3.47Å; R590-F597 VanDerWaalsContact CB-CD1 3.47Å; R590-F597 HydrophobicContact CB-CE1 3.62Å; R590-F597 HydrophobicContact CB-CG 4.05Å; R590-F597 HydrophobicContact CB-CZ 4.34Å
591	Q	95.1	Very high	95.5	Very high	59 Å²	59	61.1 Å²	61.1	28%	0.276	30%	0.304	S	S	.	.	H	α-helix	trans	-51.7	-24.9	172.5	-76.9	175.5	-32.3	0	0	114.5	I587 F597 N598	I587-Q591 HydrophobicContact CG2-CG 4.45Å; I587-Q591 WeakPolarHBondContact O-CB 3.44Å; I587-Q591 WeakPolarHBondContact O-CG 3.45Å; I587-Q591 PolarHBondContact O-N 3.02Å; Q591-F597 HydrophobicContact CG-CD1 4.06Å; Q591-F597 HydrophobicContact CG-CE1 3.95Å; Q591-N598 PolarHBondContact O-OD1 3.18Å
592	K	95.7	Very high	95.7	Very high	158 Å²	158	62.8 Å²	62.8	69%	0.687	31%	0.306	S	S	*	.	H	α-helix	trans	-95.4	-17.2	179.1	-66.8	173.5	-170.7	160.9	0	114.5	K588 Q589 R590	K588-K592 WeakPolarHBondContact O-CD 3.5Å; K588-K592 VanDerWaalsContact O-CE 3.22Å; K588-K592 WeakPolarHBondContact O-CE 3.4Å; K588-K592 WeakPolarHBondContact O-CG 3.39Å; Q589-K592 PolarHBondContact O-N 3.39Å; R590-K592 PolarHBondContact O-N 2.93Å
593	K	96.1	Very high	95.9	Very high	159 Å²	159	65.7 Å²	65.7	69%	0.691	32%	0.322	S	S	*	.	H	α-helix	trans	-108.8	-31.2	-174.5	-68.1	171.8	-170.5	170.6	0	111.9	Q589 R590	Q589-K593 VanDerWaalsContact O-CG 3.3Å; Q589-K593 WeakPolarHBondContact O-CG 3.37Å; Q589-K593 PolarHBondContact O-N 3.45Å; R590-K593 PolarHBondContact O-N 2.76Å
594	D	96.4	Very high	95.9	Very high	55 Å²	55	65.7 Å²	65.7	29%	0.294	32%	0.322	S	S	.	.			trans	-123.7	115.6	-172.8	-179.2	-6.4	0	0	0	109.8	R590 R596 F597 N598	R590-D594 PolarHBondContact O-N 3.16Å; D594-R596 WeakPolarHBondContact OD1-CA 3.38Å; D594-R596 WeakPolarHBondContact OD1-CB 3.33Å; D594-R596 PolarHBondContact OD1-N 3.43Å; D594-F597 HydrophobicContact CB-CB 4.04Å; D594-F597 PolarHBondContact OD1-N 2.93Å; D594-N598 WeakPolarHBondContact O-CB 3.47Å; D594-N598 PolarHBondContact O-N 3.2Å; D594-N598 VanDerWaalsContact O-N 3.1Å
595	A	96.5	Very high	95.9	Very high	80 Å²	80	65.1 Å²	65.1	66%	0.661	32%	0.318	S	S	*	.	H	α-helix	trans	-75.3	-27.2	179.3	0	0	0	0	0	112.8	A599	A595-A599 WeakPolarHBondContact O-CB 3.35Å; A595-A599 PolarHBondContact O-N 3.26Å
596	R	97.3	Very high	95.9	Very high	123 Å²	123	66.1 Å²	66.1	46%	0.464	33%	0.331	S	S	.	.	H	α-helix	trans	-68.6	-51.2	176.1	-174.1	-177	-177.1	-146.4	-6.7	109.5	E510 I512 D594 N598 A599 F600	E510-R596 VanDerWaalsContact O-CZ 3.25Å; E510-R596 PolarHBondContact O-NH1 3.39Å; E510-R596 PolarHBondContact O-NH2 2.92Å; E510-R596 IonicContact OE2-NH2 2.84Å; E510-R596 PolarHBondContact OE2-NH2 3.2Å; I512-R596 HydrophobicContact CD1-CG 4.48Å; I512-R596 HydrophobicContact CG1-CG 4.47Å; D594-R596 WeakPolarHBondContact OD1-CA 3.38Å; D594-R596 WeakPolarHBondContact OD1-CB 3.33Å; D594-R596 PolarHBondContact OD1-N 3.43Å; R596-N598 VanDerWaalsContact C-N 3.32Å; R596-N598 PolarHBondContact O-N 3.16Å; R596-A599 PolarHBondContact O-N 3.12Å; R596-F600 WeakPolarHBondContact O-CB 3.33Å; R596-F600 PolarHBondContact O-N 3.28Å
597	F	97.6	Very high	95.8	Very high	1 Å²	1	66.2 Å²	66.2	0%	0.004	33%	0.33	C	S	.	.	H	α-helix	trans	-58.9	-42	173.8	-176.4	-98.3	0	0	0	111.9	L507 I512 L513 I587 R590 Q591 D594 I601	L507-F597 HydrophobicContact CD1-CE2 4.14Å; L507-F597 HydrophobicContact CD2-CD2 3.75Å; L507-F597 HydrophobicContact CD2-CE2 3.66Å; I512-F597 HydrophobicContact CG2-CB 3.89Å; I512-F597 HydrophobicContact CG2-CD2 3.75Å; I512-F597 HydrophobicContact CG2-CG 4.33Å; L513-F597 HydrophobicContact CD1-CE2 3.99Å; L513-F597 HydrophobicContact CD2-CD2 4.19Å; L513-F597 HydrophobicContact CD2-CE2 4.13Å; L513-F597 HydrophobicContact CG-CD2 4.38Å; L513-F597 HydrophobicContact CG-CE2 4.14Å; I587-F597 HydrophobicContact CG1-CZ 4.33Å; I587-F597 HydrophobicContact CG2-CE1 4.06Å; I587-F597 HydrophobicContact CG2-CZ 4.22Å; R590-F597 HydrophobicContact CB-CD1 3.47Å; R590-F597 VanDerWaalsContact CB-CD1 3.47Å; R590-F597 HydrophobicContact CB-CE1 3.62Å; R590-F597 HydrophobicContact CB-CG 4.05Å; R590-F597 HydrophobicContact CB-CZ 4.34Å; Q591-F597 HydrophobicContact CG-CD1 4.06Å; Q591-F597 HydrophobicContact CG-CE1 3.95Å; D594-F597 HydrophobicContact CB-CB 4.04Å; D594-F597 PolarHBondContact OD1-N 2.93Å; F597-I601 HydrophobicContact CD1-CG1 4.2Å; F597-I601 HydrophobicContact CE1-CD1 4.48Å; F597-I601 HydrophobicContact CE1-CG1 3.86Å; F597-I601 HydrophobicContact CE2-CD1 4.24Å; F597-I601 HydrophobicContact CE2-CG1 4.22Å; F597-I601 HydrophobicContact CZ-CD1 4.01Å; F597-I601 HydrophobicContact CZ-CG1 3.87Å; F597-I601 VanDerWaalsContact O-CG1 3.3Å; F597-I601 WeakPolarHBondContact O-CG1 3.4Å; F597-I601 PolarHBondContact O-N 2.93Å
598	N	97.3	Very high	95.5	Very high	41 Å²	41	71.1 Å²	71.1	22%	0.219	36%	0.363	C	S	.	.	H	α-helix	trans	-64	-42.2	176.8	-175.8	85.2	0	0	0	113.2	Q591 D594 R596 I601 Q602	Q591-N598 PolarHBondContact O-OD1 3.18Å; D594-N598 WeakPolarHBondContact O-CB 3.47Å; D594-N598 PolarHBondContact O-N 3.2Å; D594-N598 VanDerWaalsContact O-N 3.1Å; R596-N598 VanDerWaalsContact C-N 3.32Å; R596-N598 PolarHBondContact O-N 3.16Å; N598-I601 PolarHBondContact O-N 3.31Å; N598-Q602 PolarHBondContact ND2-NE2 3.47Å; N598-Q602 WeakPolarHBondContact O-CG 3.36Å; N598-Q602 PolarHBondContact O-N 3.3Å; N598-Q602 VanDerWaalsContact O-N 3.12Å
599	A	97.1	Very high	95.2	Very high	53 Å²	53	68.3 Å²	68.3	44%	0.438	35%	0.351	S	S	.	.	H	α-helix	trans	-63.6	-48.5	177.5	0	0	0	0	0	111.1	A595 R596 I601 Q602 E603	A595-A599 WeakPolarHBondContact O-CB 3.35Å; A595-A599 PolarHBondContact O-N 3.26Å; R596-A599 PolarHBondContact O-N 3.12Å; A599-I601 VanDerWaalsContact C-N 3.34Å; A599-I601 PolarHBondContact O-N 3.34Å; A599-Q602 PolarHBondContact O-N 2.74Å; A599-Q602 VanDerWaalsContact O-N 3.12Å; A599-E603 PolarHBondContact O-N 3.07Å
600	F	98	Very high	95	Very high	16 Å²	16	64.8 Å²	64.8	7%	0.07	34%	0.335	C	S	.	.	H	α-helix	trans	-53.6	-48.2	175	171.5	-84.4	0	0	0	112	F503 P506 L507 E510 I512 R596 Q602 E603 A604	F503-F600 HydrophobicContact CD1-CE1 4.49Å; P506-F600 HydrophobicContact CB-CE2 3.72Å; P506-F600 HydrophobicContact CB-CZ 3.79Å; L507-F600 HydrophobicContact CD1-CE1 4.08Å; L507-F600 HydrophobicContact CD2-CD1 3.38Å; L507-F600 HydrophobicContact CD2-CE1 3.48Å; L507-F600 VanDerWaalsContact CD2-CE1 3.48Å; L507-F600 HydrophobicContact CD2-CG 4.05Å; L507-F600 HydrophobicContact CD2-CZ 4.17Å; L507-F600 HydrophobicContact CG-CD1 3.93Å; L507-F600 HydrophobicContact CG-CE1 3.44Å; L507-F600 VanDerWaalsContact CG-CE1 3.44Å; L507-F600 HydrophobicContact CG-CZ 3.89Å; E510-F600 WeakPolarHBondContact OE1-CD2 3.21Å; E510-F600 WeakPolarHBondContact OE1-CE2 3.3Å; I512-F600 HydrophobicContact CD1-CB 3.62Å; I512-F600 HydrophobicContact CD1-CD1 4.49Å; I512-F600 HydrophobicContact CD1-CD2 3.64Å; I512-F600 HydrophobicContact CD1-CG 3.63Å; R596-F600 WeakPolarHBondContact O-CB 3.33Å; R596-F600 PolarHBondContact O-N 3.28Å; F600-Q602 VanDerWaalsContact C-N 3.31Å; F600-Q602 PolarHBondContact O-N 3.16Å; F600-E603 PolarHBondContact O-N 3.22Å; F600-A604 HydrophobicContact CE1-CB 3.96Å; F600-A604 HydrophobicContact CZ-CB 4.11Å; F600-A604 VanDerWaalsContact O-CB 3.31Å; F600-A604 WeakPolarHBondContact O-CB 3.26Å; F600-A604 PolarHBondContact O-N 2.86Å
601	I	97.6	Very high	94.7	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-65	-36.1	-179.4	-64.2	-65.1	0	0	0	111.5	F503 F597 N598 A599 E605 L615	F503-I601 HydrophobicContact CD1-CD1 3.98Å; F503-I601 HydrophobicContact CE1-CD1 4.39Å; F597-I601 HydrophobicContact CD1-CG1 4.2Å; F597-I601 HydrophobicContact CE1-CD1 4.48Å; F597-I601 HydrophobicContact CE1-CG1 3.86Å; F597-I601 HydrophobicContact CE2-CD1 4.24Å; F597-I601 HydrophobicContact CE2-CG1 4.22Å; F597-I601 HydrophobicContact CZ-CD1 4.01Å; F597-I601 HydrophobicContact CZ-CG1 3.87Å; F597-I601 VanDerWaalsContact O-CG1 3.3Å; F597-I601 WeakPolarHBondContact O-CG1 3.4Å; F597-I601 PolarHBondContact O-N 2.93Å; N598-I601 PolarHBondContact O-N 3.31Å; A599-I601 VanDerWaalsContact C-N 3.34Å; A599-I601 PolarHBondContact O-N 3.34Å; I601-E605 HydrophobicContact CG2-CG 4.09Å; I601-E605 WeakPolarHBondContact CG2-OE1 3.42Å; I601-E605 VanDerWaalsContact O-CB 3.3Å; I601-E605 WeakPolarHBondContact O-CB 3.19Å; I601-E605 VanDerWaalsContact O-CG 3.23Å; I601-E605 WeakPolarHBondContact O-CG 3.47Å; I601-E605 PolarHBondContact O-N 3.35Å; I601-L615 HydrophobicContact CD1-CD2 3.6Å
602	Q	96.1	Very high	94.4	Very high	120 Å²	120	73 Å²	73	56%	0.561	36%	0.363	S	S	*	.	H	α-helix	trans	-68	-35.2	176	-72.1	177	-2.2	0	0	112.7	N598 A599 F600 S606	N598-Q602 PolarHBondContact ND2-NE2 3.47Å; N598-Q602 WeakPolarHBondContact O-CG 3.36Å; N598-Q602 PolarHBondContact O-N 3.3Å; N598-Q602 VanDerWaalsContact O-N 3.12Å; A599-Q602 PolarHBondContact O-N 2.74Å; A599-Q602 VanDerWaalsContact O-N 3.12Å; F600-Q602 VanDerWaalsContact C-N 3.31Å; F600-Q602 PolarHBondContact O-N 3.16Å; Q602-S606 PolarHBondContact O-N 3.02Å
603	E	96.6	Very high	94.1	Very high	127 Å²	127	68.4 Å²	68.4	59%	0.593	35%	0.346	S	S	*	.	H	α-helix	trans	-69.9	-48.5	173.6	-175	173	165.7	0	0	111.4	A599 F600 E605 S606 K607	A599-E603 PolarHBondContact O-N 3.07Å; F600-E603 PolarHBondContact O-N 3.22Å; E603-E605 PolarHBondContact O-N 3.16Å; E603-S606 WeakPolarHBondContact O-CB 2.94Å; E603-S606 PolarHBondContact O-N 3.48Å; E603-S606 PolarHBondContact O-OG 2.91Å; E603-K607 PolarHBondContact O-N 2.97Å
604	A	95.2	Very high	94	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.008	33%	0.33	C	S	.	.	H	α-helix	trans	-58.9	-46.7	177.3	0	0	0	0	0	112.5	V502 F503 F600 S606 K607 C610	V502-A604 HydrophobicContact CG1-CB 3.98Å; F503-A604 HydrophobicContact CD1-CB 3.76Å; F503-A604 HydrophobicContact CE1-CB 3.47Å; F503-A604 VanDerWaalsContact CE1-CB 3.47Å; F503-A604 HydrophobicContact CZ-CB 4.15Å; F600-A604 HydrophobicContact CE1-CB 3.96Å; F600-A604 HydrophobicContact CZ-CB 4.11Å; F600-A604 VanDerWaalsContact O-CB 3.31Å; F600-A604 WeakPolarHBondContact O-CB 3.26Å; F600-A604 PolarHBondContact O-N 2.86Å; A604-S606 PolarHBondContact O-N 2.93Å; A604-K607 WeakPolarHBondContact O-CB 3.17Å; A604-K607 PolarHBondContact O-N 3.47Å; A604-K607 VanDerWaalsContact O-N 3.1Å; A604-C610 PolarHBondContact O-SG 3.43Å; A604-C610 VanDerWaalsContact O-SG 3.41Å
605	E	95.8	Very high	94	Very high	31 Å²	31	61.9 Å²	61.9	15%	0.145	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-14.1	175.5	-70.1	179	174.7	0	0	113.6	F503 I601 E603 Q614 L615	F503-E605 HydrophobicContact CE1-CG 3.96Å; F503-E605 HydrophobicContact CZ-CG 3.98Å; I601-E605 HydrophobicContact CG2-CG 4.09Å; I601-E605 WeakPolarHBondContact CG2-OE1 3.42Å; I601-E605 VanDerWaalsContact O-CB 3.3Å; I601-E605 WeakPolarHBondContact O-CB 3.19Å; I601-E605 VanDerWaalsContact O-CG 3.23Å; I601-E605 WeakPolarHBondContact O-CG 3.47Å; I601-E605 PolarHBondContact O-N 3.35Å; E603-E605 PolarHBondContact O-N 3.16Å; E605-Q614 HydrophobicContact CG-CB 4.42Å; E605-Q614 WeakPolarHBondContact OE1-CA 3.44Å; E605-Q614 WeakPolarHBondContact OE1-CB 3.29Å; E605-Q614 WeakPolarHBondContact OE2-CG 3.48Å; E605-Q614 PolarHBondContact OE2-NE2 2.75Å; E605-L615 PolarHBondContact OE1-N 3Å
606	S	92.8	Very high	93.9	Very high	90 Å²	90	63 Å²	63	63%	0.629	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-14.9	173.8	82.1	0	0	0	0	114	Q602 E603 A604	Q602-S606 PolarHBondContact O-N 3.02Å; E603-S606 WeakPolarHBondContact O-CB 2.94Å; E603-S606 PolarHBondContact O-N 3.48Å; E603-S606 PolarHBondContact O-OG 2.91Å; A604-S606 PolarHBondContact O-N 2.93Å
607	K	90.4	Very high	93.8	Very high	37 Å²	37	60.1 Å²	60.1	16%	0.161	30%	0.3	C	S	.	.	S	Bend	trans	-67.2	135	-179	-61.6	-163.2	-172.9	-176	0	110.7	E443 V502 E603 A604 Q609 C610	E443-K607 IonicContact OE1-NZ 3.24Å; E443-K607 PolarHBondContact OE1-NZ 2.71Å; E443-K607 IonicContact OE2-NZ 3.74Å; E443-K607 PolarHBondContact OE2-NZ 2.7Å; V502-K607 HydrophobicContact CG1-CB 4.35Å; V502-K607 HydrophobicContact CG1-CD 4.08Å; V502-K607 HydrophobicContact CG1-CG 4.45Å; E603-K607 PolarHBondContact O-N 2.97Å; A604-K607 WeakPolarHBondContact O-CB 3.17Å; A604-K607 PolarHBondContact O-N 3.47Å; A604-K607 VanDerWaalsContact O-N 3.1Å; K607-Q609 PolarHBondContact O-N 2.71Å; K607-Q609 VanDerWaalsContact O-N 3.08Å; K607-C610 WeakPolarHBondContact O-CB 3.34Å; K607-C610 PolarHBondContact O-N 3.45Å; K607-C610 VanDerWaalsContact O-N 3.11Å
608	P	88.6	Confident	93.6	Very high	112 Å²	112	60.1 Å²	60.1	73%	0.727	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-54.2	-32.7	-174	-29.7	36	0	0	0	115.6	C610 R611	P608-C610 PolarHBondContact O-N 3.02Å; P608-R611 PolarHBondContact O-N 2.96Å
609	Q	89.8	Confident	93.6	Very high	39 Å²	39	58.2 Å²	58.2	18%	0.182	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-58	-29.5	-179.5	-62.9	87.5	-25.1	0	0	112.9	R494 V498 V502 K607 R611	R494-Q609 PolarHBondContact NH2-O 2.9Å; V498-Q609 HydrophobicContact CG2-CB 3.94Å; V502-Q609 HydrophobicContact CG2-CB 4.28Å; K607-Q609 PolarHBondContact O-N 2.71Å; K607-Q609 VanDerWaalsContact O-N 3.08Å; Q609-R611 PolarHBondContact O-N 2.92Å
610	C	89.4	Confident	93.6	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-67.2	-11.3	174.4	-64.9	0	0	0	0	113.3	A604 K607 P608 R612 L613	A604-C610 PolarHBondContact O-SG 3.43Å; A604-C610 VanDerWaalsContact O-SG 3.41Å; K607-C610 WeakPolarHBondContact O-CB 3.34Å; K607-C610 PolarHBondContact O-N 3.45Å; K607-C610 VanDerWaalsContact O-N 3.11Å; P608-C610 PolarHBondContact O-N 3.02Å; C610-R612 PolarHBondContact O-N 3.46Å; C610-L613 WeakPolarHBondContact O-CB 3.27Å; C610-L613 PolarHBondContact O-N 2.84Å
611	R	89.4	Confident	93.5	Very high	106 Å²	106	56.7 Å²	56.7	40%	0.4	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	47	35.8	-178.6	-60	-172.6	-176.5	-169.4	2.8	112.6	E453 D455 P608 Q609	E453-R611 IonicContact OE2-CZ 3.81Å; E453-R611 IonicContact OE2-NE 3.44Å; E453-R611 PolarHBondContact OE2-NE 3.36Å; E453-R611 IonicContact OE2-NH2 2.65Å; E453-R611 PolarHBondContact OE2-NH2 3.03Å; D455-R611 IonicContact OD1-CZ 2.78Å; D455-R611 IonicContact OD1-NH1 3.98Å; D455-R611 PolarHBondContact OD1-NH1 2.86Å; D455-R611 IonicContact OD1-NH2 3.48Å; D455-R611 PolarHBondContact OD1-NH2 2.75Å; D455-R611 IonicContact OD2-CZ 3.47Å; D455-R611 IonicContact OD2-NH1 2.65Å; D455-R611 PolarHBondContact OD2-NH1 3.23Å; D455-R611 VanDerWaalsContact OD2-NH1 3.14Å; D455-R611 IonicContact OD2-NH2 2.71Å; P608-R611 PolarHBondContact O-N 2.96Å; Q609-R611 PolarHBondContact O-N 2.92Å
612	R	89	Confident	93.5	Very high	183 Å²	183	56.7 Å²	56.7	69%	0.691	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	10.8	-175.4	-49.3	-176.2	-169.7	153.2	9.6	117.7	C610	C610-R612 PolarHBondContact O-N 3.46Å
613	L	89.3	Confident	93.6	Very high	62 Å²	62	52.5 Å²	52.5	33%	0.325	26%	0.257	S	S	.	.			trans	-78.5	142.3	170.4	-60.9	177.1	0	0	0	110.7	M495 C610 D617 I618	M495-L613 HydrophobicContact CE-CD1 3.44Å; M495-L613 VanDerWaalsContact CE-CD1 3.44Å; M495-L613 HydrophobicContact SD-CD1 3.87Å; C610-L613 WeakPolarHBondContact O-CB 3.27Å; C610-L613 PolarHBondContact O-N 2.84Å; L613-D617 HydrophobicContact CB-CB 4.46Å; L613-D617 HydrophobicContact CD2-CB 4.48Å; L613-I618 HydrophobicContact CB-CD1 4.24Å; L613-I618 HydrophobicContact CB-CG1 3.84Å; L613-I618 HydrophobicContact CD1-CG1 4.31Å
614	Q	94.8	Very high	93.6	Very high	76 Å²	76	51.5 Å²	51.5	36%	0.355	25%	0.253	S	S	.	.			trans	-84.9	159.9	171.3	-60.3	-162.2	-90.3	0	0	110.3	E605 K616 D617 I618	E605-Q614 HydrophobicContact CG-CB 4.42Å; E605-Q614 WeakPolarHBondContact OE1-CA 3.44Å; E605-Q614 WeakPolarHBondContact OE1-CB 3.29Å; E605-Q614 WeakPolarHBondContact OE2-CG 3.48Å; E605-Q614 PolarHBondContact OE2-NE2 2.75Å; Q614-K616 HydrophobicContact CB-CD 4.14Å; Q614-K616 HydrophobicContact CB-CG 4.06Å; Q614-K616 PolarHBondContact O-N 3.25Å; Q614-K616 VanDerWaalsContact O-N 3.1Å; Q614-D617 WeakPolarHBondContact CB-OD2 3.28Å; Q614-D617 PolarHBondContact N-OD2 3.25Å; Q614-D617 VanDerWaalsContact N-OD2 3.17Å; Q614-D617 WeakPolarHBondContact O-CA 3.47Å; Q614-D617 WeakPolarHBondContact O-CB 3.26Å; Q614-D617 PolarHBondContact O-N 3.07Å; Q614-I618 PolarHBondContact O-N 2.76Å; Q614-I618 VanDerWaalsContact O-N 3.13Å
615	L	96.2	Very high	93.7	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-54.4	-35.9	178.4	177.2	58.7	0	0	0	112	L499 F503 F522 I587 I601 E605 D617 I618 I619	L499-L615 HydrophobicContact CD1-CD1 3.29Å; F503-L615 HydrophobicContact CB-CD1 4.24Å; F503-L615 HydrophobicContact CD1-CB 4.19Å; F503-L615 HydrophobicContact CD1-CD1 3.98Å; F503-L615 HydrophobicContact CD1-CD2 3.96Å; F503-L615 HydrophobicContact CD1-CG 4.26Å; F503-L615 HydrophobicContact CD2-CD1 4.05Å; F503-L615 HydrophobicContact CE1-CB 3.84Å; F503-L615 HydrophobicContact CE1-CD1 4.33Å; F503-L615 HydrophobicContact CE1-CD2 4.4Å; F503-L615 HydrophobicContact CE1-CG 4.41Å; F503-L615 HydrophobicContact CE2-CD1 4.4Å; F503-L615 HydrophobicContact CG-CD1 3.82Å; F503-L615 HydrophobicContact CG-CD2 4.47Å; F503-L615 HydrophobicContact CZ-CB 4.16Å; F522-L615 HydrophobicContact CE1-CD1 4.09Å; F522-L615 HydrophobicContact CZ-CD1 4.15Å; F522-L615 HydrophobicContact CZ-CD2 4.26Å; I587-L615 HydrophobicContact CD1-CD2 3.79Å; I587-L615 HydrophobicContact CD1-CG 4.16Å; I587-L615 HydrophobicContact CG1-CD2 4.34Å; I587-L615 HydrophobicContact CG2-CD2 4.24Å; I601-L615 HydrophobicContact CD1-CD2 3.6Å; E605-L615 PolarHBondContact OE1-N 3Å; L615-D617 PolarHBondContact O-N 2.94Å; L615-I618 PolarHBondContact O-N 3.32Å; L615-I619 HydrophobicContact CD1-CD1 4.03Å; L615-I619 HydrophobicContact CD1-CG1 4.08Å; L615-I619 HydrophobicContact CG-CD1 4.04Å; L615-I619 WeakPolarHBondContact O-CG1 3.22Å; L615-I619 PolarHBondContact O-N 2.9Å
616	K	94.3	Very high	93.8	Very high	104 Å²	104	50.7 Å²	50.7	45%	0.452	25%	0.249	S	C	.	.	H	α-helix	trans	-61.7	-25.7	176.4	83.9	-164.7	-175.9	-164.9	0	113.6	L584 Q614 P620	L584-K616 HydrophobicContact CD2-CB 3.95Å; L584-K616 WeakPolarHBondContact CD2-O 3.31Å; Q614-K616 HydrophobicContact CB-CD 4.14Å; Q614-K616 HydrophobicContact CB-CG 4.06Å; Q614-K616 PolarHBondContact O-N 3.25Å; Q614-K616 VanDerWaalsContact O-N 3.1Å; K616-P620 WeakPolarHBondContact O-CD 3.05Å; K616-P620 WeakPolarHBondContact O-CG 3.44Å
617	D	93.9	Very high	94	Very high	62 Å²	62	49 Å²	49	33%	0.332	24%	0.235	S	C	.	.	H	α-helix	trans	-96.2	-24.6	-176.2	-52.8	-46.6	0	0	0	111	L613 Q614 L615	L613-D617 HydrophobicContact CB-CB 4.46Å; L613-D617 HydrophobicContact CD2-CB 4.48Å; Q614-D617 WeakPolarHBondContact CB-OD2 3.28Å; Q614-D617 PolarHBondContact N-OD2 3.25Å; Q614-D617 VanDerWaalsContact N-OD2 3.17Å; Q614-D617 WeakPolarHBondContact O-CA 3.47Å; Q614-D617 WeakPolarHBondContact O-CB 3.26Å; Q614-D617 PolarHBondContact O-N 3.07Å; L615-D617 PolarHBondContact O-N 2.94Å
618	I	95.1	Very high	94.4	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-76.4	-46.6	176.5	-64.2	171.1	0	0	0	111.4	M495 L499 F503 L613 Q614 L615 P620 T621	M495-I618 HydrophobicContact CG-CG2 4.07Å; M495-I618 HydrophobicContact SD-CD1 4.46Å; M495-I618 HydrophobicContact SD-CG1 4.1Å; M495-I618 HydrophobicContact SD-CG2 4.35Å; L499-I618 HydrophobicContact CB-CG2 3.98Å; L499-I618 HydrophobicContact CD1-CG2 3.95Å; L499-I618 HydrophobicContact CD2-CG2 4.31Å; L499-I618 HydrophobicContact CG-CG2 4.31Å; F503-I618 HydrophobicContact CE2-CD1 3.85Å; F503-I618 HydrophobicContact CZ-CD1 4.39Å; L613-I618 HydrophobicContact CB-CD1 4.24Å; L613-I618 HydrophobicContact CB-CG1 3.84Å; L613-I618 HydrophobicContact CD1-CG1 4.31Å; Q614-I618 PolarHBondContact O-N 2.76Å; Q614-I618 VanDerWaalsContact O-N 3.13Å; L615-I618 PolarHBondContact O-N 3.32Å; I618-P620 VanDerWaalsContact C-N 3.33Å; I618-T621 WeakPolarHBondContact O-CG2 3.34Å; I618-T621 PolarHBondContact O-N 3.46Å; I618-T621 PolarHBondContact O-OG1 3.14Å
619	I	95.6	Very high	94.9	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-39.2	-176.7	-62.2	162.8	0	0	0	113.1	L499 F522 F576 Q580 L584 I587 L615 T621	L499-I619 HydrophobicContact CD1-CG1 4.26Å; L499-I619 HydrophobicContact CD2-CG1 4.44Å; F522-I619 HydrophobicContact CE1-CD1 3.89Å; F522-I619 HydrophobicContact CE1-CG1 4.07Å; F576-I619 HydrophobicContact CE1-CG2 4.25Å; F576-I619 HydrophobicContact CZ-CG2 4.25Å; Q580-I619 HydrophobicContact CG-CG2 4.2Å; L584-I619 HydrophobicContact CD2-CD1 4.21Å; I587-I619 HydrophobicContact CD1-CD1 3.39Å; L615-I619 HydrophobicContact CD1-CD1 4.03Å; L615-I619 HydrophobicContact CD1-CG1 4.08Å; L615-I619 HydrophobicContact CG-CD1 4.04Å; L615-I619 WeakPolarHBondContact O-CG1 3.22Å; L615-I619 PolarHBondContact O-N 2.9Å; I619-T621 VanDerWaalsContact C-N 3.26Å; I619-T621 PolarHBondContact O-N 3.2Å
620	P	96.9	Very high	95.3	Very high	18 Å²	18	45.8 Å²	45.8	12%	0.117	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-7.4	176.2	-23.2	35.9	0	0	0	116.8	L584 K616 I618 E622 M623 Q624	L584-P620 HydrophobicContact CD1-CG 4.48Å; K616-P620 WeakPolarHBondContact O-CD 3.05Å; K616-P620 WeakPolarHBondContact O-CG 3.44Å; I618-P620 VanDerWaalsContact C-N 3.33Å; P620-E622 PolarHBondContact O-N 3.47Å; P620-M623 PolarHBondContact O-N 2.91Å; P620-Q624 WeakPolarHBondContact O-CG 3.4Å; P620-Q624 PolarHBondContact O-N 2.84Å; P620-Q624 VanDerWaalsContact O-N 3.14Å
621	T	96.8	Very high	95.7	Very high	19 Å²	19	50.1 Å²	50.1	12%	0.117	23%	0.232	C	C	.	.	H	α-helix	trans	-67.2	-24.5	-174.3	63.4	0	0	0	0	113	M495 I618 I619 Q624 R625	M495-T621 HydrophobicContact CG-CG2 4.33Å; I618-T621 WeakPolarHBondContact O-CG2 3.34Å; I618-T621 PolarHBondContact O-N 3.46Å; I618-T621 PolarHBondContact O-OG1 3.14Å; I619-T621 VanDerWaalsContact C-N 3.26Å; I619-T621 PolarHBondContact O-N 3.2Å; T621-Q624 PolarHBondContact O-N 3.3Å; T621-R625 WeakPolarHBondContact O-CB 3.21Å; T621-R625 PolarHBondContact O-N 3.24Å
622	E	97.4	Very high	96.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.1	-53.3	175.9	-174.1	47.7	-127.5	0	0	112	H492 H532 T573 F576 P620 Q624 R625 L626	H492-E622 IonicContact CE1-OE2 2.7Å; H492-E622 PolarHBondContact CE1-OE2 3.23Å; H492-E622 IonicContact NE2-OE2 2.66Å; H492-E622 PolarHBondContact NE2-OE2 2.91Å; H532-E622 IonicContact CD2-OE2 3.74Å; H532-E622 IonicContact CE1-OE1 2.74Å; H532-E622 IonicContact NE2-OE1 3.62Å; H532-E622 PolarHBondContact NE2-OE1 3.24Å; H532-E622 IonicContact NE2-OE2 2.64Å; H532-E622 PolarHBondContact NE2-OE2 2.83Å; T573-E622 HydrophobicContact CG2-CG 4.13Å; T573-E622 WeakPolarHBondContact CG2-OE1 3.26Å; F576-E622 HydrophobicContact CD1-CB 3.79Å; F576-E622 HydrophobicContact CD1-CG 3.86Å; F576-E622 HydrophobicContact CE1-CB 3.83Å; F576-E622 HydrophobicContact CE1-CG 4.36Å; P620-E622 PolarHBondContact O-N 3.47Å; E622-Q624 VanDerWaalsContact C-N 3.27Å; E622-Q624 PolarHBondContact O-N 3.18Å; E622-R625 PolarHBondContact O-N 3.02Å; E622-R625 VanDerWaalsContact O-N 3.14Å; E622-L626 PolarHBondContact O-N 3.38Å
623	M	97.4	Very high	96.6	Very high	31 Å²	31	36.9 Å²	36.9	15%	0.153	18%	0.183	C	C	.	.	H	α-helix	trans	-57.7	-40.7	172.3	172	55	68.8	0	0	111.5	C577 P620 L626 T627 L660 V663 V667	C577-M623 HydrophobicContact CB-CE 3.97Å; P620-M623 PolarHBondContact O-N 2.91Å; M623-L626 PolarHBondContact O-N 3.41Å; M623-T627 PolarHBondContact O-N 3.44Å; M623-T627 HydrophobicContact SD-CG2 4.47Å; M623-L660 HydrophobicContact SD-CD1 4.25Å; M623-V663 HydrophobicContact CE-CG1 3.67Å; M623-V667 HydrophobicContact CE-CG2 4.01Å
624	Q	97.3	Very high	97	Very high	107 Å²	107	37.5 Å²	37.5	50%	0.5	18%	0.184	S	C	.	.	H	α-helix	trans	-62.8	-45	176.4	-67.2	170.3	17.3	0	0	111.7	P620 T621 E622 L626 T627	P620-Q624 WeakPolarHBondContact O-CG 3.4Å; P620-Q624 PolarHBondContact O-N 2.84Å; P620-Q624 VanDerWaalsContact O-N 3.14Å; T621-Q624 PolarHBondContact O-N 3.3Å; E622-Q624 VanDerWaalsContact C-N 3.27Å; E622-Q624 PolarHBondContact O-N 3.18Å; Q624-L626 VanDerWaalsContact C-N 3.33Å; Q624-L626 PolarHBondContact O-N 2.77Å; Q624-T627 PolarHBondContact O-N 3.13Å; Q624-T627 PolarHBondContact O-OG1 3.29Å
625	R	98.4	Very high	97.2	Very high	14 Å²	14	37.3 Å²	37.3	5%	0.053	19%	0.185	C	C	.	.	H	α-helix	trans	-60.4	-44.4	178.1	-176.9	62.9	-178.9	162.6	-5.7	111.1	L485 T488 E489 H492 T621 E622 T627 K628 Y629	L485-R625 PolarHBondContact O-NH2 2.89Å; T488-R625 VanDerWaalsContact CB-NH1 3.26Å; T488-R625 PolarHBondContact OG1-NH1 2.9Å; T488-R625 PolarHBondContact OG1-NH2 3.35Å; E489-R625 VanDerWaalsContact N-NH2 3.16Å; E489-R625 IonicContact OE2-CZ 3.36Å; E489-R625 IonicContact OE2-NE 3.12Å; E489-R625 PolarHBondContact OE2-NE 2.88Å; E489-R625 IonicContact OE2-NH2 3.29Å; E489-R625 PolarHBondContact OE2-NH2 2.96Å; H492-R625 HydrophobicContact CB-CG 4.42Å; T621-R625 WeakPolarHBondContact O-CB 3.21Å; T621-R625 PolarHBondContact O-N 3.24Å; E622-R625 PolarHBondContact O-N 3.02Å; E622-R625 VanDerWaalsContact O-N 3.14Å; R625-T627 VanDerWaalsContact C-N 3.27Å; R625-T627 PolarHBondContact O-N 3.17Å; R625-K628 WeakPolarHBondContact O-CB 3.43Å; R625-K628 PolarHBondContact O-N 3.2Å; R625-Y629 HydrophobicContact CG-CE1 4.49Å; R625-Y629 HydrophobicContact CG-CE2 3.77Å; R625-Y629 WeakPolarHBondContact CG-OH 3.43Å; R625-Y629 PolarHBondContact NE-OH 2.7Å
626	L	97.6	Very high	97.3	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-56.2	-39.3	178.1	-173.9	63.2	0	0	0	112.8	F569 T573 E622 M623 Q624 K628 Y629 P630 I659 L660 V663	F569-L626 HydrophobicContact CE1-CD1 3.85Å; F569-L626 HydrophobicContact CZ-CD1 4.48Å; T573-L626 HydrophobicContact CG2-CD1 4.47Å; T573-L626 HydrophobicContact CG2-CD2 3.89Å; E622-L626 PolarHBondContact O-N 3.38Å; M623-L626 PolarHBondContact O-N 3.41Å; Q624-L626 VanDerWaalsContact C-N 3.33Å; Q624-L626 PolarHBondContact O-N 2.77Å; L626-K628 PolarHBondContact O-N 3.07Å; L626-Y629 HydrophobicContact CD1-CD2 4.5Å; L626-P630 WeakPolarHBondContact O-CD 3.25Å; L626-I659 HydrophobicContact CD1-CG2 3.75Å; L626-L660 HydrophobicContact CD2-CB 4.35Å; L626-L660 HydrophobicContact CD2-CD1 3.86Å; L626-L660 HydrophobicContact CG-CB 4.19Å; L626-L660 HydrophobicContact CG-CD1 3.92Å; L626-V663 HydrophobicContact CD2-CB 3.72Å; L626-V663 HydrophobicContact CD2-CG1 3.84Å; L626-V663 HydrophobicContact CD2-CG2 3.72Å
627	T	97.3	Very high	97.5	Very high	55 Å²	55	32.4 Å²	32.4	34%	0.337	16%	0.164	S	C	.	.	H	α-helix	trans	-67.9	-16.7	176.1	66.1	0	0	0	0	114.6	M623 Q624 R625 L660	M623-T627 PolarHBondContact O-N 3.44Å; M623-T627 HydrophobicContact SD-CG2 4.47Å; Q624-T627 PolarHBondContact O-N 3.13Å; Q624-T627 PolarHBondContact O-OG1 3.29Å; R625-T627 VanDerWaalsContact C-N 3.27Å; R625-T627 PolarHBondContact O-N 3.17Å; T627-L660 HydrophobicContact CG2-CD1 3.94Å; T627-L660 HydrophobicContact CG2-CD2 4.32Å
628	K	98.2	Very high	97.7	Very high	112 Å²	112	36.4 Å²	36.4	49%	0.487	18%	0.179	S	C	.	.	H	α-helix	trans	-88.1	-28.8	-178.5	-60.9	-58.2	-175.8	176.4	0	113.7	R625 L626 L631 L632	R625-K628 WeakPolarHBondContact O-CB 3.43Å; R625-K628 PolarHBondContact O-N 3.2Å; L626-K628 PolarHBondContact O-N 3.07Å; K628-L631 PolarHBondContact O-N 3.42Å; K628-L632 HydrophobicContact CB-CD1 4.15Å; K628-L632 WeakPolarHBondContact O-CB 3.14Å; K628-L632 WeakPolarHBondContact O-CG 3.24Å; K628-L632 PolarHBondContact O-N 3.44Å
629	Y	98.8	Very high	97.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.7	-46.1	-177.1	-63.4	-60.2	0	0	0	114	L485 E489 H532 F535 F561 F569 R625 L626 L631 L632 L633	L485-Y629 HydrophobicContact CD1-CD1 3.96Å; L485-Y629 HydrophobicContact CD1-CE1 4.1Å; E489-Y629 VanDerWaalsContact CD-OH 3.25Å; E489-Y629 PolarHBondContact OE1-OH 2.91Å; E489-Y629 VanDerWaalsContact OE1-OH 3.05Å; E489-Y629 WeakPolarHBondContact OE2-CE1 3.44Å; E489-Y629 PolarHBondContact OE2-OH 3.12Å; H532-Y629 PolarHBondContact CE1-OH 2.87Å; H532-Y629 PolarHBondContact ND1-OH 3.37Å; F535-Y629 HydrophobicContact CE1-CE1 4.03Å; F561-Y629 HydrophobicContact CE1-CD1 4.28Å; F561-Y629 AromaticContact CE1-CD2 3.94Å; F561-Y629 HydrophobicContact CE1-CD2 3.94Å; F561-Y629 HydrophobicContact CE1-CE1 4.45Å; F561-Y629 HydrophobicContact CE1-CE2 4.13Å; F561-Y629 HydrophobicContact CE1-CG 4.03Å; F561-Y629 HydrophobicContact CE2-CD1 4.4Å; F561-Y629 AromaticContact CZ-CD1 3.61Å; F561-Y629 HydrophobicContact CZ-CD1 3.61Å; F561-Y629 HydrophobicContact CZ-CD2 4.11Å; F561-Y629 AromaticContact CZ-CE1 3.79Å; F561-Y629 HydrophobicContact CZ-CE1 3.79Å; F561-Y629 HydrophobicContact CZ-CE2 4.27Å; F561-Y629 AromaticContact CZ-CG 3.79Å; F561-Y629 HydrophobicContact CZ-CG 3.79Å; F569-Y629 AromaticContact CZ-CE2 3.92Å; F569-Y629 HydrophobicContact CZ-CE2 3.92Å; R625-Y629 HydrophobicContact CG-CE1 4.49Å; R625-Y629 HydrophobicContact CG-CE2 3.77Å; R625-Y629 WeakPolarHBondContact CG-OH 3.43Å; R625-Y629 PolarHBondContact NE-OH 2.7Å; L626-Y629 HydrophobicContact CD1-CD2 4.5Å; Y629-L631 PolarHBondContact O-N 3.4Å; Y629-L632 PolarHBondContact O-N 2.95Å; Y629-L633 WeakPolarHBondContact O-CB 3.47Å; Y629-L633 WeakPolarHBondContact O-CD1 3.45Å; Y629-L633 PolarHBondContact O-N 3.12Å
630	P	98.4	Very high	97.8	Very high	8 Å²	8	37.5 Å²	37.5	5%	0.052	19%	0.185	C	C	.	.	H	α-helix	trans	-56.1	-49.4	175.8	-24.7	34.5	0	0	0	112.2	L626 L632 L633 E634 C656 R657	L626-P630 WeakPolarHBondContact O-CD 3.25Å; P630-L632 PolarHBondContact O-N 2.79Å; P630-L633 PolarHBondContact O-N 3.1Å; P630-E634 VanDerWaalsContact O-CB 3.27Å; P630-E634 WeakPolarHBondContact O-CB 3.37Å; P630-E634 WeakPolarHBondContact O-CG 3.29Å; P630-E634 PolarHBondContact O-N 3.39Å; P630-C656 HydrophobicContact CG-CB 3.8Å; P630-R657 HydrophobicContact CB-CG 3.82Å; P630-R657 HydrophobicContact CG-CG 4Å
631	L	97.8	Very high	97.7	Very high	91 Å²	91	43.8 Å²	43.8	48%	0.476	21%	0.212	S	C	.	.	H	α-helix	trans	-63.7	-40.4	-177	-55.5	176.6	0	0	0	112.5	K628 Y629 N635	K628-L631 PolarHBondContact O-N 3.42Å; Y629-L631 PolarHBondContact O-N 3.4Å; L631-N635 WeakPolarHBondContact O-CB 3.47Å; L631-N635 PolarHBondContact O-N 3.31Å; L631-N635 VanDerWaalsContact O-N 3.17Å; L631-N635 PolarHBondContact O-ND2 3.27Å
632	L	98.6	Very high	97.6	Very high	10 Å²	10	47.3 Å²	47.3	5%	0.052	23%	0.228	C	C	.	.	H	α-helix	trans	-67.7	-49	177	-72	168.7	0	0	0	110.8	V481 E484 L485 K628 Y629 P630 N635 I636	V481-L632 HydrophobicContact CG1-CD2 3.96Å; V481-L632 WeakPolarHBondContact CG1-O 3.38Å; E484-L632 HydrophobicContact CG-CD2 4.09Å; L485-L632 HydrophobicContact CB-CD1 4.42Å; L485-L632 HydrophobicContact CD1-CB 4.43Å; L485-L632 HydrophobicContact CD1-CD1 3.82Å; K628-L632 HydrophobicContact CB-CD1 4.15Å; K628-L632 WeakPolarHBondContact O-CB 3.14Å; K628-L632 WeakPolarHBondContact O-CG 3.24Å; K628-L632 PolarHBondContact O-N 3.44Å; Y629-L632 PolarHBondContact O-N 2.95Å; P630-L632 PolarHBondContact O-N 2.79Å; L632-N635 PolarHBondContact O-N 2.95Å; L632-I636 WeakPolarHBondContact O-CG1 3.25Å; L632-I636 PolarHBondContact O-N 2.7Å
633	L	98.7	Very high	97.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-68.1	-38	-177.5	-84.2	55.6	0	0	0	112	L485 L557 F561 Y629 P630 N635 I636 A637 I649 A653	L485-L633 HydrophobicContact CD1-CD1 4.28Å; L485-L633 HydrophobicContact CD2-CD1 4.11Å; L557-L633 HydrophobicContact CD1-CD2 4.23Å; L557-L633 HydrophobicContact CD1-CG 3.97Å; L557-L633 HydrophobicContact CD2-CD1 4.03Å; L557-L633 HydrophobicContact CD2-CD2 4.19Å; L557-L633 HydrophobicContact CD2-CG 4.13Å; F561-L633 HydrophobicContact CD2-CD2 4.16Å; F561-L633 HydrophobicContact CE2-CD2 4.29Å; Y629-L633 WeakPolarHBondContact O-CB 3.47Å; Y629-L633 WeakPolarHBondContact O-CD1 3.45Å; Y629-L633 PolarHBondContact O-N 3.12Å; P630-L633 PolarHBondContact O-N 3.1Å; L633-N635 VanDerWaalsContact C-N 3.32Å; L633-N635 PolarHBondContact O-N 3.05Å; L633-I636 PolarHBondContact O-N 3.09Å; L633-A637 WeakPolarHBondContact O-CB 3.37Å; L633-A637 PolarHBondContact O-N 3.31Å; L633-I649 HydrophobicContact CB-CG2 4.13Å; L633-I649 HydrophobicContact CG-CG2 4.48Å; L633-I649 WeakPolarHBondContact O-CG2 3.28Å; L633-A653 HydrophobicContact CB-CB 3.87Å
634	E	98.3	Very high	97.5	Very high	76 Å²	76	59 Å²	59	36%	0.355	28%	0.28	S	S	.	.	H	α-helix	trans	-60	-41.5	171.3	-74.1	164.2	-148.1	0	0	111.8	P630 A637 K638 A653 R657	P630-E634 VanDerWaalsContact O-CB 3.27Å; P630-E634 WeakPolarHBondContact O-CB 3.37Å; P630-E634 WeakPolarHBondContact O-CG 3.29Å; P630-E634 PolarHBondContact O-N 3.39Å; E634-A637 PolarHBondContact O-N 3.34Å; E634-K638 WeakPolarHBondContact O-CB 3.26Å; E634-K638 PolarHBondContact O-N 3Å; E634-A653 HydrophobicContact CG-CB 4.05Å; E634-R657 IonicContact OE1-CZ 3.37Å; E634-R657 IonicContact OE1-NH1 3.94Å; E634-R657 PolarHBondContact OE1-NH1 3.04Å
635	N	98	Very high	97.5	Very high	72 Å²	72	54.4 Å²	54.4	39%	0.385	26%	0.259	S	S	.	.	H	α-helix	trans	-70	-32.7	176.1	-82.5	-55.2	0	0	0	113.3	V481 L631 L632 L633 N639	V481-N635 HydrophobicContact CG1-CB 3.98Å; V481-N635 HydrophobicContact CG2-CB 4.26Å; L631-N635 WeakPolarHBondContact O-CB 3.47Å; L631-N635 PolarHBondContact O-N 3.31Å; L631-N635 VanDerWaalsContact O-N 3.17Å; L631-N635 PolarHBondContact O-ND2 3.27Å; L632-N635 PolarHBondContact O-N 2.95Å; L633-N635 VanDerWaalsContact C-N 3.32Å; L633-N635 PolarHBondContact O-N 3.05Å; N635-N639 PolarHBondContact O-N 3.48Å; N635-N639 PolarHBondContact O-ND2 3.01Å
636	I	98.6	Very high	97.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.4	-53	169.6	-60.9	167.2	0	0	0	109	R478 V481 I482 L485 I553 L632 L633 K638 N639 T640 I649	R478-I636 HydrophobicContact CG-CG2 4.35Å; V481-I636 HydrophobicContact CB-CG1 3.99Å; V481-I636 HydrophobicContact CG1-CD1 4.41Å; V481-I636 HydrophobicContact CG1-CG1 3.67Å; I482-I636 HydrophobicContact CD1-CG2 4.27Å; I482-I636 HydrophobicContact CG1-CD1 3.91Å; I482-I636 HydrophobicContact CG1-CG1 4.06Å; I482-I636 HydrophobicContact CG1-CG2 4.06Å; L485-I636 HydrophobicContact CD2-CD1 4.06Å; I553-I636 HydrophobicContact CD1-CD1 4.46Å; I553-I636 HydrophobicContact CG2-CG2 4.12Å; L632-I636 WeakPolarHBondContact O-CG1 3.25Å; L632-I636 PolarHBondContact O-N 2.7Å; L633-I636 PolarHBondContact O-N 3.09Å; I636-K638 VanDerWaalsContact C-N 3.27Å; I636-K638 PolarHBondContact O-N 3.44Å; I636-N639 CarbonylContact O-C 3.58Å; I636-N639 WeakPolarHBondContact O-CA 3.46Å; I636-N639 PolarHBondContact O-N 3.47Å; I636-T640 PolarHBondContact O-N 3.33Å; I636-T640 PolarHBondContact O-OG1 2.94Å; I636-I649 HydrophobicContact CB-CG2 4.38Å; I636-I649 HydrophobicContact CG2-CD1 3.85Å
637	A	98.3	Very high	97.5	Very high	2 Å²	2	61.8 Å²	61.8	2%	0.017	29%	0.293	C	S	.	.	H	α-helix	trans	-59.4	-32.2	179.9	0	0	0	0	0	114.1	L633 E634 N639 K646 I649 Q650	L633-A637 WeakPolarHBondContact O-CB 3.37Å; L633-A637 PolarHBondContact O-N 3.31Å; E634-A637 PolarHBondContact O-N 3.34Å; A637-N639 VanDerWaalsContact C-N 3.27Å; A637-N639 PolarHBondContact O-N 2.88Å; A637-K646 HydrophobicContact CB-CG 4.3Å; A637-K646 VanDerWaalsContact O-CD 3.31Å; A637-K646 WeakPolarHBondContact O-CD 3.34Å; A637-K646 WeakPolarHBondContact O-CE 3.25Å; A637-K646 WeakPolarHBondContact O-CG 3.21Å; A637-I649 HydrophobicContact CB-CB 3.98Å; A637-I649 HydrophobicContact CB-CG2 3.77Å; A637-Q650 HydrophobicContact CB-CG 3.78Å
638	K	97.6	Very high	97.6	Very high	146 Å²	146	60.3 Å²	60.3	64%	0.635	28%	0.284	S	S	*	.	H	α-helix	trans	-63.9	-34.1	172.8	-173.3	172.6	-178.8	175	0	111.8	K474 E634 I636	K474-K638 WeakPolarHBondContact CE-O 3.4Å; E634-K638 WeakPolarHBondContact O-CB 3.26Å; E634-K638 PolarHBondContact O-N 3Å; I636-K638 VanDerWaalsContact C-N 3.27Å; I636-K638 PolarHBondContact O-N 3.44Å
639	N	97.3	Very high	97.6	Very high	25 Å²	25	55 Å²	55	13%	0.134	26%	0.261	C	S	.	.	H	α-helix	trans	-95.5	-14.9	-178.4	-68.6	-72.5	0	0	0	114.2	K474 R478 N635 I636 A637	K474-N639 WeakPolarHBondContact CE-O 3.49Å; K474-N639 HydrophobicContact CG-CB 4.32Å; K474-N639 WeakPolarHBondContact CG-O 3.48Å; R478-N639 HydrophobicContact CB-CB 3.78Å; N635-N639 PolarHBondContact O-N 3.48Å; N635-N639 PolarHBondContact O-ND2 3.01Å; I636-N639 CarbonylContact O-C 3.58Å; I636-N639 WeakPolarHBondContact O-CA 3.46Å; I636-N639 PolarHBondContact O-N 3.47Å; A637-N639 VanDerWaalsContact C-N 3.27Å; A637-N639 PolarHBondContact O-N 2.88Å
640	T	97.3	Very high	97.6	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.006	28%	0.282	C	S	.	.			trans	-64	140.6	169.4	-56.1	0	0	0	0	112.4	K474 R478 I636 E642 E645 K646 I649	K474-T640 PolarHBondContact NZ-O 3.08Å; R478-T640 PolarHBondContact NE-OG1 3.38Å; I636-T640 PolarHBondContact O-N 3.33Å; I636-T640 PolarHBondContact O-OG1 2.94Å; T640-E642 WeakPolarHBondContact CG2-O 3.18Å; T640-E645 HydrophobicContact CG2-CB 4.03Å; T640-E645 HydrophobicContact CG2-CG 4.16Å; T640-E645 WeakPolarHBondContact CG2-OE2 3.47Å; T640-K646 HydrophobicContact CG2-CB 4.01Å; T640-I649 HydrophobicContact CG2-CD1 4.43Å; T640-I649 VanDerWaalsContact OG1-CD1 3.29Å; T640-I649 WeakPolarHBondContact OG1-CD1 3.48Å
641	E	93	Very high	97.6	Very high	149 Å²	149	64.3 Å²	64.3	70%	0.696	30%	0.304	S	S	*	.			trans	-101.5	-38.6	176.3	-74.4	-178.4	-172.5	0	0	113.4	K474	K474-E641 HydrophobicContact CD-CG 3.91Å
642	E	95.6	Very high	97.6	Very high	93 Å²	93	60 Å²	60	44%	0.435	28%	0.281	S	S	.	.	S	Bend	trans	-65.2	136.9	173.9	-152.9	-67	103	0	0	109.8	T640 E644 E645 K646	T640-E642 WeakPolarHBondContact CG2-O 3.18Å; E642-E644 PolarHBondContact OE1-N 3.33Å; E642-E644 WeakPolarHBondContact OE2-CA 3.14Å; E642-E644 WeakPolarHBondContact OE2-CB 3.47Å; E642-E644 PolarHBondContact OE2-N 2.94Å; E642-E645 HydrophobicContact CB-CB 4.35Å; E642-E645 PolarHBondContact OE2-N 3.4Å; E642-K646 WeakPolarHBondContact O-CB 3.38Å; E642-K646 PolarHBondContact O-N 3.14Å
643	K	96.2	Very high	97.6	Very high	127 Å²	127	59.5 Å²	59.5	55%	0.552	28%	0.279	S	S	*	.	H	α-helix	trans	-78.1	-43.5	-171	-167.6	-161.5	171	-121.4	0	112.1	K646 E647	K643-K646 PolarHBondContact O-N 3.12Å; K643-E647 VanDerWaalsContact CE-CD 3.44Å; K643-E647 WeakPolarHBondContact CE-OE1 3.4Å; K643-E647 IonicContact NZ-OE1 2.67Å; K643-E647 PolarHBondContact NZ-OE1 3.04Å; K643-E647 IonicContact NZ-OE2 2.69Å; K643-E647 PolarHBondContact NZ-OE2 3.37Å; K643-E647 WeakPolarHBondContact O-CG 3.2Å; K643-E647 PolarHBondContact O-N 2.81Å
644	E	96.7	Very high	97.6	Very high	149 Å²	149	62.8 Å²	62.8	70%	0.696	29%	0.294	S	S	*	.	H	α-helix	trans	-72.2	-43.3	-174	-59.8	177.8	-176.6	0	0	110.7	E642 K646 E647 S648	E642-E644 PolarHBondContact OE1-N 3.33Å; E642-E644 WeakPolarHBondContact OE2-CA 3.14Å; E642-E644 WeakPolarHBondContact OE2-CB 3.47Å; E642-E644 PolarHBondContact OE2-N 2.94Å; E644-K646 VanDerWaalsContact C-N 3.32Å; E644-K646 PolarHBondContact O-N 3.39Å; E644-E647 PolarHBondContact O-N 3.46Å; E644-S648 VanDerWaalsContact O-CB 3.29Å; E644-S648 WeakPolarHBondContact O-CB 3.49Å; E644-S648 PolarHBondContact O-N 2.94Å
645	E	97.4	Very high	97.6	Very high	12 Å²	12	60.4 Å²	60.4	6%	0.056	29%	0.285	C	S	.	.	H	α-helix	trans	-54.8	-49.1	168.4	-169.7	-166.1	-173	0	0	110	R478 N552 I553 S554 T640 E642 S648 I649	R478-E645 IonicContact CZ-OE1 2.65Å; R478-E645 IonicContact CZ-OE2 3.82Å; R478-E645 IonicContact NE-OE1 2.67Å; R478-E645 IonicContact NE-OE2 4Å; R478-E645 VanDerWaalsContact NH2-CD 3.29Å; R478-E645 IonicContact NH2-OE1 2.69Å; R478-E645 PolarHBondContact NH2-OE1 3.48Å; R478-E645 IonicContact NH2-OE2 2.67Å; R478-E645 PolarHBondContact NH2-OE2 2.92Å; N552-E645 WeakPolarHBondContact CA-OE1 3.16Å; I553-E645 PolarHBondContact N-OE1 2.7Å; I553-E645 VanDerWaalsContact N-OE1 3.08Å; S554-E645 WeakPolarHBondContact OG-CG 3.39Å; S554-E645 PolarHBondContact OG-O 3.08Å; T640-E645 HydrophobicContact CG2-CB 4.03Å; T640-E645 HydrophobicContact CG2-CG 4.16Å; T640-E645 WeakPolarHBondContact CG2-OE2 3.47Å; E642-E645 HydrophobicContact CB-CB 4.35Å; E642-E645 PolarHBondContact OE2-N 3.4Å; E645-S648 WeakPolarHBondContact O-CB 3.19Å; E645-S648 PolarHBondContact O-N 3.44Å; E645-I649 HydrophobicContact CG-CD1 3.86Å; E645-I649 HydrophobicContact CG-CG1 4.39Å; E645-I649 VanDerWaalsContact O-CG1 3.31Å; E645-I649 WeakPolarHBondContact O-CG1 3.48Å; E645-I649 PolarHBondContact O-N 2.87Å
646	K	98.1	Very high	97.6	Very high	71 Å²	71	57 Å²	57	31%	0.309	27%	0.267	S	S	.	.	H	α-helix	trans	-61.9	-47.8	-178.6	177.4	174.1	177.8	177.3	0	113.2	A637 T640 E642 K643 E644 S648 I649 Q650	A637-K646 HydrophobicContact CB-CG 4.3Å; A637-K646 VanDerWaalsContact O-CD 3.31Å; A637-K646 WeakPolarHBondContact O-CD 3.34Å; A637-K646 WeakPolarHBondContact O-CE 3.25Å; A637-K646 WeakPolarHBondContact O-CG 3.21Å; T640-K646 HydrophobicContact CG2-CB 4.01Å; E642-K646 WeakPolarHBondContact O-CB 3.38Å; E642-K646 PolarHBondContact O-N 3.14Å; K643-K646 PolarHBondContact O-N 3.12Å; E644-K646 VanDerWaalsContact C-N 3.32Å; E644-K646 PolarHBondContact O-N 3.39Å; K646-S648 PolarHBondContact O-N 3.48Å; K646-I649 PolarHBondContact O-N 2.93Å; K646-Q650 WeakPolarHBondContact O-CG 3.17Å; K646-Q650 PolarHBondContact O-N 3.19Å
647	E	98.3	Very high	97.6	Very high	99 Å²	99	60.8 Å²	60.8	46%	0.463	28%	0.282	S	S	.	.	H	α-helix	trans	-61.8	-36.1	177.5	-73.6	178.9	159.1	0	0	110.4	K643 E644 Q650 Q651	K643-E647 VanDerWaalsContact CE-CD 3.44Å; K643-E647 WeakPolarHBondContact CE-OE1 3.4Å; K643-E647 IonicContact NZ-OE1 2.67Å; K643-E647 PolarHBondContact NZ-OE1 3.04Å; K643-E647 IonicContact NZ-OE2 2.69Å; K643-E647 PolarHBondContact NZ-OE2 3.37Å; K643-E647 WeakPolarHBondContact O-CG 3.2Å; K643-E647 PolarHBondContact O-N 2.81Å; E644-E647 PolarHBondContact O-N 3.46Å; E647-Q650 PolarHBondContact O-N 3.46Å; E647-Q651 PolarHBondContact O-N 3.29Å
648	S	98.2	Very high	97.6	Very high	23 Å²	23	66.2 Å²	66.2	16%	0.161	31%	0.305	C	S	.	.	H	α-helix	trans	-70.5	-36.5	175.4	-170.2	0	0	0	0	114.3	S554 L558 E644 E645 K646 Q651 S652	S554-S648 WeakPolarHBondContact CB-OG 3.35Å; L558-S648 WeakPolarHBondContact CD1-OG 3.36Å; E644-S648 VanDerWaalsContact O-CB 3.29Å; E644-S648 WeakPolarHBondContact O-CB 3.49Å; E644-S648 PolarHBondContact O-N 2.94Å; E645-S648 WeakPolarHBondContact O-CB 3.19Å; E645-S648 PolarHBondContact O-N 3.44Å; K646-S648 PolarHBondContact O-N 3.48Å; S648-Q651 PolarHBondContact O-N 2.92Å; S648-S652 PolarHBondContact O-N 2.91Å; S648-S652 PolarHBondContact O-OG 3.32Å
649	I	98.6	Very high	97.7	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67.2	-39.7	170.5	-59.7	155.8	0	0	0	110.2	I553 S554 L557 L633 I636 A637 T640 E645 K646 Q651 S652 A653	I553-I649 HydrophobicContact CG2-CD1 4.21Å; I553-I649 HydrophobicContact CG2-CG1 4.32Å; S554-I649 WeakPolarHBondContact OG-CG1 3.39Å; L557-I649 HydrophobicContact CD1-CB 4.49Å; L557-I649 HydrophobicContact CD1-CG1 4.1Å; L557-I649 HydrophobicContact CD1-CG2 4.02Å; L633-I649 HydrophobicContact CB-CG2 4.13Å; L633-I649 HydrophobicContact CG-CG2 4.48Å; L633-I649 WeakPolarHBondContact O-CG2 3.28Å; I636-I649 HydrophobicContact CB-CG2 4.38Å; I636-I649 HydrophobicContact CG2-CD1 3.85Å; A637-I649 HydrophobicContact CB-CB 3.98Å; A637-I649 HydrophobicContact CB-CG2 3.77Å; T640-I649 HydrophobicContact CG2-CD1 4.43Å; T640-I649 VanDerWaalsContact OG1-CD1 3.29Å; T640-I649 WeakPolarHBondContact OG1-CD1 3.48Å; E645-I649 HydrophobicContact CG-CD1 3.86Å; E645-I649 HydrophobicContact CG-CG1 4.39Å; E645-I649 VanDerWaalsContact O-CG1 3.31Å; E645-I649 WeakPolarHBondContact O-CG1 3.48Å; E645-I649 PolarHBondContact O-N 2.87Å; K646-I649 PolarHBondContact O-N 2.93Å; I649-Q651 VanDerWaalsContact C-N 3.34Å; I649-Q651 PolarHBondContact O-N 2.82Å; I649-S652 WeakPolarHBondContact O-CB 3.33Å; I649-S652 PolarHBondContact O-N 2.74Å; I649-S652 VanDerWaalsContact O-N 3.16Å; I649-A653 PolarHBondContact O-N 3.48Å
650	Q	98.4	Very high	97.7	Very high	94 Å²	94	59.6 Å²	59.6	44%	0.439	28%	0.276	S	S	.	.	H	α-helix	trans	-64.3	-37.6	176.3	-72.4	-179.9	-42.7	0	0	112.2	A637 K646 E647 A653 E654	A637-Q650 HydrophobicContact CB-CG 3.78Å; K646-Q650 WeakPolarHBondContact O-CG 3.17Å; K646-Q650 PolarHBondContact O-N 3.19Å; E647-Q650 PolarHBondContact O-N 3.46Å; Q650-A653 PolarHBondContact O-N 3.23Å; Q650-E654 PolarHBondContact O-N 2.97Å
651	Q	98.4	Very high	97.7	Very high	111 Å²	111	64.7 Å²	64.7	52%	0.519	30%	0.304	S	S	.	.	H	α-helix	trans	-61.1	-44.9	169.7	-176.6	-176	8.3	0	0	111.5	L558 E647 S648 I649 A653 E654 C655	L558-Q651 HydrophobicContact CD2-CG 4.22Å; E647-Q651 PolarHBondContact O-N 3.29Å; S648-Q651 PolarHBondContact O-N 2.92Å; I649-Q651 VanDerWaalsContact C-N 3.34Å; I649-Q651 PolarHBondContact O-N 2.82Å; Q651-A653 PolarHBondContact O-N 3.14Å; Q651-E654 PolarHBondContact O-N 2.95Å; Q651-C655 PolarHBondContact O-N 3.49Å; Q651-C655 PolarHBondContact O-SG 2.74Å
652	S	98.5	Very high	97.9	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.9	-41	176.9	-57.4	0	0	0	0	112.3	L558 S648 I649 C655 C656	L558-S652 WeakPolarHBondContact CD2-OG 3.46Å; S648-S652 PolarHBondContact O-N 2.91Å; S648-S652 PolarHBondContact O-OG 3.32Å; I649-S652 WeakPolarHBondContact O-CB 3.33Å; I649-S652 PolarHBondContact O-N 2.74Å; I649-S652 VanDerWaalsContact O-N 3.16Å; S652-C655 PolarHBondContact O-N 2.94Å; S652-C656 PolarHBondContact O-N 2.86Å; S652-C656 PolarHBondContact O-SG 3.44Å
653	A	98.4	Very high	98	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.7	-40.1	174.2	0	0	0	0	0	112.1	L633 E634 I649 Q650 Q651 C656 R657	L633-A653 HydrophobicContact CB-CB 3.87Å; E634-A653 HydrophobicContact CG-CB 4.05Å; I649-A653 PolarHBondContact O-N 3.48Å; Q650-A653 PolarHBondContact O-N 3.23Å; Q651-A653 PolarHBondContact O-N 3.14Å; A653-C656 WeakPolarHBondContact O-CB 3.5Å; A653-C656 PolarHBondContact O-N 3.05Å; A653-C656 VanDerWaalsContact O-N 3.16Å; A653-R657 WeakPolarHBondContact O-CG 3.47Å; A653-R657 PolarHBondContact O-N 3.13Å
654	E	98.3	Very high	98	Very high	69 Å²	69	54 Å²	54	32%	0.322	26%	0.258	S	S	.	.	H	α-helix	trans	-63.8	-38.8	174.5	179.1	54.1	-156.4	0	0	112.3	Q650 Q651 R657 K658	Q650-E654 PolarHBondContact O-N 2.97Å; Q651-E654 PolarHBondContact O-N 2.95Å; E654-R657 PolarHBondContact O-N 3.1Å; E654-R657 IonicContact OE2-CZ 2.79Å; E654-R657 VanDerWaalsContact OE2-CZ 3.23Å; E654-R657 IonicContact OE2-NE 2.7Å; E654-R657 PolarHBondContact OE2-NE 3.15Å; E654-R657 IonicContact OE2-NH2 2.71Å; E654-R657 PolarHBondContact OE2-NH2 3.15Å; E654-K658 HydrophobicContact CG-CD 4.36Å; E654-K658 WeakPolarHBondContact O-CG 3.3Å; E654-K658 PolarHBondContact O-N 2.81Å; E654-K658 WeakPolarHBondContact OE1-CE 3.24Å; E654-K658 IonicContact OE1-NZ 2.82Å
655	C	98.5	Very high	97.9	Very high	25 Å²	25	50.5 Å²	50.5	17%	0.169	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-45.6	169.8	-68.4	0	0	0	0	111.3	F561 Q651 S652 R657 K658 I659	F561-C655 HydrophobicContact CB-CB 4.29Å; F561-C655 WeakPolarHBondContact O-CB 3.46Å; Q651-C655 PolarHBondContact O-N 3.49Å; Q651-C655 PolarHBondContact O-SG 2.74Å; S652-C655 PolarHBondContact O-N 2.94Å; C655-R657 VanDerWaalsContact C-N 3.29Å; C655-R657 PolarHBondContact O-N 2.92Å; C655-K658 WeakPolarHBondContact O-CB 3.46Å; C655-K658 PolarHBondContact O-N 3.17Å; C655-K658 VanDerWaalsContact O-N 3.14Å; C655-I659 WeakPolarHBondContact O-CD1 3.37Å; C655-I659 WeakPolarHBondContact O-CG1 3.3Å; C655-I659 PolarHBondContact O-N 2.68Å
656	C	98.6	Very high	97.9	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.007	25%	0.254	C	S	.	.	H	α-helix	trans	-57.5	-40.1	175.4	-62.7	0	0	0	0	112.6	F561 P630 S652 A653 I659 L660	F561-C656 WeakPolarHBondContact CG-SG 3.42Å; P630-C656 HydrophobicContact CG-CB 3.8Å; S652-C656 PolarHBondContact O-N 2.86Å; S652-C656 PolarHBondContact O-SG 3.44Å; A653-C656 WeakPolarHBondContact O-CB 3.5Å; A653-C656 PolarHBondContact O-N 3.05Å; A653-C656 VanDerWaalsContact O-N 3.16Å; C656-I659 PolarHBondContact O-N 2.98Å; C656-L660 WeakPolarHBondContact O-CB 3.27Å; C656-L660 PolarHBondContact O-N 2.99Å
657	R	98.4	Very high	97.7	Very high	79 Å²	79	51.8 Å²	51.8	30%	0.298	25%	0.251	S	S	.	.	H	α-helix	trans	-65	-43.1	174.9	-68.7	-174.7	-63.6	-103.5	3.4	112.2	P630 E634 A653 E654 C655 L660 N661	P630-R657 HydrophobicContact CB-CG 3.82Å; P630-R657 HydrophobicContact CG-CG 4Å; E634-R657 IonicContact OE1-CZ 3.37Å; E634-R657 IonicContact OE1-NH1 3.94Å; E634-R657 PolarHBondContact OE1-NH1 3.04Å; A653-R657 WeakPolarHBondContact O-CG 3.47Å; A653-R657 PolarHBondContact O-N 3.13Å; E654-R657 PolarHBondContact O-N 3.1Å; E654-R657 IonicContact OE2-CZ 2.79Å; E654-R657 VanDerWaalsContact OE2-CZ 3.23Å; E654-R657 IonicContact OE2-NE 2.7Å; E654-R657 PolarHBondContact OE2-NE 3.15Å; E654-R657 IonicContact OE2-NH2 2.71Å; E654-R657 PolarHBondContact OE2-NH2 3.15Å; C655-R657 VanDerWaalsContact C-N 3.29Å; C655-R657 PolarHBondContact O-N 2.92Å; R657-L660 PolarHBondContact O-N 3.29Å; R657-N661 WeakPolarHBondContact O-CB 3.41Å; R657-N661 VanDerWaalsContact O-CG 3.25Å; R657-N661 PolarHBondContact O-N 3.24Å; R657-N661 PolarHBondContact O-ND2 3.48Å
658	K	98.2	Very high	97.5	Very high	117 Å²	117	51.8 Å²	51.8	51%	0.509	25%	0.249	S	C	.	.	H	α-helix	trans	-61.8	-41.9	174.2	-72.9	165	175.9	160	0	112.3	E654 C655 H662	E654-K658 HydrophobicContact CG-CD 4.36Å; E654-K658 WeakPolarHBondContact O-CG 3.3Å; E654-K658 PolarHBondContact O-N 2.81Å; E654-K658 WeakPolarHBondContact OE1-CE 3.24Å; E654-K658 IonicContact OE1-NZ 2.82Å; C655-K658 WeakPolarHBondContact O-CB 3.46Å; C655-K658 PolarHBondContact O-N 3.17Å; C655-K658 VanDerWaalsContact O-N 3.14Å; K658-H662 WeakPolarHBondContact O-CB 3.25Å; K658-H662 PolarHBondContact O-N 2.95Å
659	I	98.4	Very high	97.3	Very high	6 Å²	6	51.9 Å²	51.9	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-61.4	-53.6	175.8	-65.1	164.1	0	0	0	109.8	F561 F569 Q570 L626 C655 C656 N661 H662 V663	F561-I659 HydrophobicContact CB-CD1 4.42Å; F561-I659 HydrophobicContact CD1-CD1 4.33Å; F569-I659 HydrophobicContact CD1-CD1 4.1Å; F569-I659 HydrophobicContact CD1-CG2 3.9Å; F569-I659 HydrophobicContact CE1-CG2 4.02Å; Q570-I659 HydrophobicContact CB-CG1 4.14Å; Q570-I659 HydrophobicContact CB-CG2 4.13Å; Q570-I659 HydrophobicContact CG-CG1 4.4Å; Q570-I659 HydrophobicContact CG-CG2 4.22Å; L626-I659 HydrophobicContact CD1-CG2 3.75Å; C655-I659 WeakPolarHBondContact O-CD1 3.37Å; C655-I659 WeakPolarHBondContact O-CG1 3.3Å; C655-I659 PolarHBondContact O-N 2.68Å; C656-I659 PolarHBondContact O-N 2.98Å; I659-N661 VanDerWaalsContact C-N 3.35Å; I659-N661 PolarHBondContact O-N 3.29Å; I659-H662 PolarHBondContact O-N 2.82Å; I659-V663 HydrophobicContact CG2-CG2 4.37Å; I659-V663 WeakPolarHBondContact O-CG2 3.42Å; I659-V663 PolarHBondContact O-N 3.22Å
660	L	98.1	Very high	97	Very high	26 Å²	26	53.3 Å²	53.3	14%	0.136	26%	0.256	C	S	.	.	H	α-helix	trans	-56.2	-45.1	178	176.5	59.9	0	0	0	112.6	M623 L626 T627 C656 R657 H662 V663 N664	M623-L660 HydrophobicContact SD-CD1 4.25Å; L626-L660 HydrophobicContact CD2-CB 4.35Å; L626-L660 HydrophobicContact CD2-CD1 3.86Å; L626-L660 HydrophobicContact CG-CB 4.19Å; L626-L660 HydrophobicContact CG-CD1 3.92Å; T627-L660 HydrophobicContact CG2-CD1 3.94Å; T627-L660 HydrophobicContact CG2-CD2 4.32Å; C656-L660 WeakPolarHBondContact O-CB 3.27Å; C656-L660 PolarHBondContact O-N 2.99Å; R657-L660 PolarHBondContact O-N 3.29Å; L660-H662 PolarHBondContact O-N 3.39Å; L660-V663 PolarHBondContact O-N 2.92Å; L660-N664 WeakPolarHBondContact O-CB 3.49Å; L660-N664 VanDerWaalsContact O-CG 3.28Å; L660-N664 PolarHBondContact O-N 3.16Å; L660-N664 PolarHBondContact O-ND2 3.24Å; L660-N664 VanDerWaalsContact O-ND2 3.16Å
661	N	97	Very high	96.8	Very high	108 Å²	108	50.3 Å²	50.3	58%	0.578	25%	0.25	S	S	*	.	H	α-helix	trans	-64	-39.7	178.5	-73.7	-26	0	0	0	112.7	R657 I659 E665	R657-N661 WeakPolarHBondContact O-CB 3.41Å; R657-N661 VanDerWaalsContact O-CG 3.25Å; R657-N661 PolarHBondContact O-N 3.24Å; R657-N661 PolarHBondContact O-ND2 3.48Å; I659-N661 VanDerWaalsContact C-N 3.35Å; I659-N661 PolarHBondContact O-N 3.29Å; N661-E665 PolarHBondContact O-N 2.93Å; N661-E665 VanDerWaalsContact O-N 3.14Å
662	H	97.8	Very high	96.6	Very high	76 Å²	76	46.5 Å²	46.5	35%	0.352	23%	0.233	S	C	.	.	H	α-helix	trans	-64.8	-48.8	174	179	-81.1	0	0	0	111.9	Q570 K658 I659 L660 N664 E665 E666	Q570-H662 HydrophobicContact CG-CB 4.04Å; K658-H662 WeakPolarHBondContact O-CB 3.25Å; K658-H662 PolarHBondContact O-N 2.95Å; I659-H662 PolarHBondContact O-N 2.82Å; L660-H662 PolarHBondContact O-N 3.39Å; H662-N664 VanDerWaalsContact C-N 3.27Å; H662-N664 PolarHBondContact O-N 2.68Å; H662-E665 PolarHBondContact O-N 3.14Å; H662-E665 VanDerWaalsContact O-N 3.12Å; H662-E666 PolarHBondContact O-N 3.49Å
663	V	97.9	Very high	96.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.8	-40.4	178.4	175.3	0	0	0	0	110.9	T573 A574 C577 M623 L626 I659 L660 E666 V667	T573-V663 HydrophobicContact CG2-CG2 4.2Å; A574-V663 HydrophobicContact CB-CG2 4.03Å; C577-V663 HydrophobicContact CB-CG1 3.55Å; M623-V663 HydrophobicContact CE-CG1 3.67Å; L626-V663 HydrophobicContact CD2-CB 3.72Å; L626-V663 HydrophobicContact CD2-CG1 3.84Å; L626-V663 HydrophobicContact CD2-CG2 3.72Å; I659-V663 HydrophobicContact CG2-CG2 4.37Å; I659-V663 WeakPolarHBondContact O-CG2 3.42Å; I659-V663 PolarHBondContact O-N 3.22Å; L660-V663 PolarHBondContact O-N 2.92Å; V663-E666 PolarHBondContact O-N 2.87Å; V663-V667 HydrophobicContact CG1-CG2 4.39Å; V663-V667 WeakPolarHBondContact O-CG2 3.48Å; V663-V667 PolarHBondContact O-N 3.12Å
664	N	95.3	Very high	96	Very high	69 Å²	69	50.6 Å²	50.6	37%	0.369	25%	0.254	S	S	.	.	H	α-helix	trans	-63.4	-40.2	175.2	-76.7	-33	0	0	0	113.3	L660 H662 K668	L660-N664 WeakPolarHBondContact O-CB 3.49Å; L660-N664 VanDerWaalsContact O-CG 3.28Å; L660-N664 PolarHBondContact O-N 3.16Å; L660-N664 PolarHBondContact O-ND2 3.24Å; L660-N664 VanDerWaalsContact O-ND2 3.16Å; H662-N664 VanDerWaalsContact C-N 3.27Å; H662-N664 PolarHBondContact O-N 2.68Å; N664-K668 WeakPolarHBondContact O-CB 3.36Å; N664-K668 PolarHBondContact O-N 2.86Å
665	E	95.8	Very high	95.8	Very high	75 Å²	75	49.3 Å²	49.3	35%	0.35	25%	0.251	S	S	.	.	H	α-helix	trans	-71	-31.1	176.4	-175	55.6	-145.8	0	0	112.3	N661 H662 K668 T669	N661-E665 PolarHBondContact O-N 2.93Å; N661-E665 VanDerWaalsContact O-N 3.14Å; H662-E665 PolarHBondContact O-N 3.14Å; H662-E665 VanDerWaalsContact O-N 3.12Å; E665-K668 PolarHBondContact O-N 2.9Å; E665-K668 IonicContact OE1-NZ 3.09Å; E665-K668 PolarHBondContact OE1-NZ 3.02Å; E665-K668 IonicContact OE2-NZ 3.91Å; E665-K668 PolarHBondContact OE2-NZ 3.31Å; E665-T669 VanDerWaalsContact O-CB 3.3Å; E665-T669 WeakPolarHBondContact O-CB 3.49Å; E665-T669 PolarHBondContact O-N 3.28Å; E665-T669 PolarHBondContact O-OG1 3.12Å
666	E	96	Very high	95.6	Very high	68 Å²	68	48.1 Å²	48.1	32%	0.318	24%	0.243	S	C	.	.	H	α-helix	trans	-73.8	-38.2	173.2	-75.8	-58.8	102.6	0	0	112.7	A574 H662 V663 K668 T669 M670	A574-E666 HydrophobicContact CB-CB 4.31Å; A574-E666 HydrophobicContact CB-CG 4.44Å; H662-E666 PolarHBondContact O-N 3.49Å; V663-E666 PolarHBondContact O-N 2.87Å; E666-K668 VanDerWaalsContact C-N 3.31Å; E666-K668 PolarHBondContact O-N 3.15Å; E666-T669 PolarHBondContact O-N 3.5Å; E666-M670 WeakPolarHBondContact O-CB 3.35Å; E666-M670 PolarHBondContact O-N 3.07Å
667	V	95.7	Very high	95.4	Very high	42 Å²	42	52.4 Å²	52.4	26%	0.255	26%	0.262	S	S	.	.	H	α-helix	trans	-57.4	-45.2	168.3	170.3	0	0	0	0	110.7	C577 M623 V663 M670 G671	C577-V667 HydrophobicContact CB-CG2 4.03Å; M623-V667 HydrophobicContact CE-CG2 4.01Å; V663-V667 HydrophobicContact CG1-CG2 4.39Å; V663-V667 WeakPolarHBondContact O-CG2 3.48Å; V663-V667 PolarHBondContact O-N 3.12Å; V667-M670 PolarHBondContact O-N 3.19Å; V667-G671 PolarHBondContact O-N 2.77Å
668	K	93.4	Very high	95.1	Very high	98 Å²	98	54.1 Å²	54.1	43%	0.426	27%	0.273	S	S	.	.	H	α-helix	trans	-64.2	-41.3	174.7	167.2	166.3	158.8	-83.7	0	112.3	N664 E665 E666 G671 N672	N664-K668 WeakPolarHBondContact O-CB 3.36Å; N664-K668 PolarHBondContact O-N 2.86Å; E665-K668 PolarHBondContact O-N 2.9Å; E665-K668 IonicContact OE1-NZ 3.09Å; E665-K668 PolarHBondContact OE1-NZ 3.02Å; E665-K668 IonicContact OE2-NZ 3.91Å; E665-K668 PolarHBondContact OE2-NZ 3.31Å; E666-K668 VanDerWaalsContact C-N 3.31Å; E666-K668 PolarHBondContact O-N 3.15Å; K668-G671 PolarHBondContact O-N 3.07Å; K668-N672 WeakPolarHBondContact O-CB 3.47Å; K668-N672 PolarHBondContact O-N 2.71Å; K668-N672 PolarHBondContact O-OD1 3.06Å
669	T	93.3	Very high	95	Very high	25 Å²	25	50 Å²	50	15%	0.153	26%	0.255	C	S	.	.	H	α-helix	trans	-65.6	-41.8	177.9	-63	0	0	0	0	111.4	E665 E666 N672 M673 K707	E665-T669 VanDerWaalsContact O-CB 3.3Å; E665-T669 WeakPolarHBondContact O-CB 3.49Å; E665-T669 PolarHBondContact O-N 3.28Å; E665-T669 PolarHBondContact O-OG1 3.12Å; E666-T669 PolarHBondContact O-N 3.5Å; T669-N672 PolarHBondContact O-N 3.31Å; T669-M673 WeakPolarHBondContact O-CB 3.29Å; T669-M673 PolarHBondContact O-N 3.49Å; T669-K707 HydrophobicContact CG2-CD 4.18Å; T669-K707 HydrophobicContact CG2-CG 4.46Å; T669-K707 WeakPolarHBondContact OG1-CE 3.33Å; T669-K707 PolarHBondContact OG1-NZ 3.29Å
670	M	93.1	Very high	94.9	Very high	31 Å²	31	52.4 Å²	52.4	15%	0.153	27%	0.265	C	S	.	.	H	α-helix	trans	-66.7	-42.6	174	-175.2	57.4	66.8	0	0	112	S578 Y579 E666 V667 N672 M673 L674	S578-M670 VanDerWaalsContact O-CG 3.25Å; S578-M670 WeakPolarHBondContact O-CG 3.35Å; Y579-M670 HydrophobicContact CD2-CE 4.09Å; Y579-M670 HydrophobicContact CE2-CE 3.47Å; Y579-M670 VanDerWaalsContact CE2-CE 3.47Å; E666-M670 WeakPolarHBondContact O-CB 3.35Å; E666-M670 PolarHBondContact O-N 3.07Å; V667-M670 PolarHBondContact O-N 3.19Å; M670-N672 VanDerWaalsContact C-N 3.31Å; M670-N672 PolarHBondContact O-N 2.89Å; M670-M673 WeakPolarHBondContact O-CB 3.48Å; M670-M673 PolarHBondContact O-N 3.27Å; M670-M673 VanDerWaalsContact O-N 3.14Å; M670-L674 HydrophobicContact CG-CD1 4.15Å; M670-L674 HydrophobicContact CG-CG 4.44Å; M670-L674 VanDerWaalsContact O-CG 3.29Å; M670-L674 WeakPolarHBondContact O-CG 3.15Å; M670-L674 PolarHBondContact O-N 3.42Å; M670-L674 HydrophobicContact SD-CG 4.32Å
671	G	93.4	Very high	94.8	Very high	30 Å²	30	59.4 Å²	59.4	31%	0.309	30%	0.295	S	S	.	.	H	α-helix	trans	-57.6	-42.6	173	0	0	0	0	0	112.8	V667 K668 L674 T675	V667-G671 PolarHBondContact O-N 2.77Å; K668-G671 PolarHBondContact O-N 3.07Å; G671-L674 PolarHBondContact O-N 2.87Å; G671-T675 WeakPolarHBondContact O-CB 3.05Å; G671-T675 PolarHBondContact O-N 2.87Å; G671-T675 PolarHBondContact O-OG1 3.05Å
672	N	94.1	Very high	94.7	Very high	31 Å²	31	57.4 Å²	57.4	17%	0.166	28%	0.281	C	S	.	.	H	α-helix	trans	-64.1	-42.9	173.5	-77.8	6.4	0	0	0	111.9	K668 T669 M670 T675 L676 M708	K668-N672 WeakPolarHBondContact O-CB 3.47Å; K668-N672 PolarHBondContact O-N 2.71Å; K668-N672 PolarHBondContact O-OD1 3.06Å; T669-N672 PolarHBondContact O-N 3.31Å; M670-N672 VanDerWaalsContact C-N 3.31Å; M670-N672 PolarHBondContact O-N 2.89Å; N672-T675 WeakPolarHBondContact O-CB 3.48Å; N672-T675 PolarHBondContact O-N 3.26Å; N672-L676 WeakPolarHBondContact O-CG 3.45Å; N672-L676 PolarHBondContact O-N 3.49Å; N672-M708 HydrophobicContact CB-CB 4.31Å; N672-M708 HydrophobicContact CB-CE 3.77Å; N672-M708 PolarHBondContact ND2-O 3.36Å
673	M	93.9	Very high	94.6	Very high	44 Å²	44	55.4 Å²	55.4	22%	0.217	27%	0.273	C	S	.	.	H	α-helix	trans	-63.8	-39.6	177.1	178.5	54.1	65.8	0	0	112.8	T669 M670 L676 K677 T704	T669-M673 WeakPolarHBondContact O-CB 3.29Å; T669-M673 PolarHBondContact O-N 3.49Å; M670-M673 WeakPolarHBondContact O-CB 3.48Å; M670-M673 PolarHBondContact O-N 3.27Å; M670-M673 VanDerWaalsContact O-N 3.14Å; M673-L676 PolarHBondContact O-N 2.85Å; M673-K677 WeakPolarHBondContact O-CG 3.48Å; M673-K677 PolarHBondContact O-N 3.14Å; M673-T704 WeakPolarHBondContact CE-O 3.29Å
674	L	91.4	Very high	94.5	Very high	42 Å²	42	56.7 Å²	56.7	22%	0.22	28%	0.28	C	S	.	.	H	α-helix	trans	-65.1	-41	173.7	-67.9	166.9	0	0	0	111.2	Y582 M670 G671 K677 E678	Y582-L674 HydrophobicContact CD2-CD2 3.76Å; Y582-L674 HydrophobicContact CE2-CD2 4.46Å; Y582-L674 HydrophobicContact CG-CD2 4.41Å; M670-L674 HydrophobicContact CG-CD1 4.15Å; M670-L674 HydrophobicContact CG-CG 4.44Å; M670-L674 VanDerWaalsContact O-CG 3.29Å; M670-L674 WeakPolarHBondContact O-CG 3.15Å; M670-L674 PolarHBondContact O-N 3.42Å; M670-L674 HydrophobicContact SD-CG 4.32Å; G671-L674 PolarHBondContact O-N 2.87Å; L674-K677 WeakPolarHBondContact O-CB 3.49Å; L674-K677 PolarHBondContact O-N 3.44Å; L674-E678 PolarHBondContact O-N 3.39Å; L674-E678 VanDerWaalsContact O-N 3.12Å
675	T	93.9	Very high	94.4	Very high	42 Å²	42	54.7 Å²	54.7	26%	0.258	27%	0.27	S	S	.	.	H	α-helix	trans	-63.7	-42.8	175.5	-54.7	0	0	0	0	111.5	G671 N672 K677 E678 Y679 M708	G671-T675 WeakPolarHBondContact O-CB 3.05Å; G671-T675 PolarHBondContact O-N 2.87Å; G671-T675 PolarHBondContact O-OG1 3.05Å; N672-T675 WeakPolarHBondContact O-CB 3.48Å; N672-T675 PolarHBondContact O-N 3.26Å; T675-K677 VanDerWaalsContact C-N 3.34Å; T675-K677 PolarHBondContact O-N 2.89Å; T675-E678 WeakPolarHBondContact O-CB 3.47Å; T675-E678 PolarHBondContact O-N 2.92Å; T675-Y679 HydrophobicContact CG2-CD2 4.21Å; T675-Y679 HydrophobicContact CG2-CE1 4.46Å; T675-Y679 HydrophobicContact CG2-CE2 3.59Å; T675-Y679 PolarHBondContact O-N 3.5Å; T675-M708 HydrophobicContact CG2-CE 4.12Å
676	L	95.1	Very high	94.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.1	-41.7	171.2	-76.7	172.8	0	0	0	112.3	N672 M673 E678 Y679 Q680 L703 T704 R706 M708 L731	N672-L676 WeakPolarHBondContact O-CG 3.45Å; N672-L676 PolarHBondContact O-N 3.49Å; M673-L676 PolarHBondContact O-N 2.85Å; L676-E678 PolarHBondContact O-N 3.39Å; L676-Y679 PolarHBondContact O-N 2.7Å; L676-Y679 VanDerWaalsContact O-N 3.15Å; L676-Q680 WeakPolarHBondContact O-CB 3.46Å; L676-Q680 PolarHBondContact O-N 3.1Å; L676-L703 WeakPolarHBondContact CD1-O 3.3Å; L676-L703 HydrophobicContact CD2-CB 4.13Å; L676-T704 HydrophobicContact CB-CG2 4.45Å; L676-R706 VanDerWaalsContact CD1-O 3.25Å; L676-R706 WeakPolarHBondContact CD1-O 3.46Å; L676-M708 HydrophobicContact CD1-CB 3.65Å; L676-M708 HydrophobicContact CD2-CB 4.03Å; L676-M708 HydrophobicContact CD2-SD 4.19Å; L676-M708 HydrophobicContact CG-CB 3.83Å; L676-M708 HydrophobicContact CG-SD 4.36Å; L676-L731 HydrophobicContact CD2-CD2 3.93Å
677	K	92.8	Very high	93.9	Very high	91 Å²	91	51.3 Å²	51.3	40%	0.396	27%	0.265	S	S	.	.	H	α-helix	trans	-64.4	-21.9	174.9	-74.2	169.6	-179.2	176.1	0	113.1	M673 L674 T675 K681 T704	M673-K677 WeakPolarHBondContact O-CG 3.48Å; M673-K677 PolarHBondContact O-N 3.14Å; L674-K677 WeakPolarHBondContact O-CB 3.49Å; L674-K677 PolarHBondContact O-N 3.44Å; T675-K677 VanDerWaalsContact C-N 3.34Å; T675-K677 PolarHBondContact O-N 2.89Å; K677-K681 WeakPolarHBondContact O-CD 3.35Å; K677-K681 VanDerWaalsContact O-CE 3.23Å; K677-K681 WeakPolarHBondContact O-CE 3.42Å; K677-K681 VanDerWaalsContact O-CG 3.28Å; K677-K681 WeakPolarHBondContact O-CG 3.16Å; K677-T704 HydrophobicContact CB-CG2 4.37Å; K677-T704 HydrophobicContact CG-CG2 3.69Å
678	E	93.8	Very high	93.6	Very high	115 Å²	115	49.3 Å²	49.3	54%	0.537	25%	0.252	S	S	.	.	H	α-helix	trans	-79.6	-44.2	167.6	-65.1	-153.5	165.4	0	0	112.5	L674 T675 L676 Q680 K681 K682	L674-E678 PolarHBondContact O-N 3.39Å; L674-E678 VanDerWaalsContact O-N 3.12Å; T675-E678 WeakPolarHBondContact O-CB 3.47Å; T675-E678 PolarHBondContact O-N 2.92Å; L676-E678 PolarHBondContact O-N 3.39Å; E678-Q680 PolarHBondContact O-N 2.93Å; E678-K681 PolarHBondContact O-N 3.39Å; E678-K682 WeakPolarHBondContact O-CG 3.5Å; E678-K682 PolarHBondContact O-N 2.83Å
679	Y	95.3	Very high	93.3	Very high	32 Å²	32	50.8 Å²	50.8	13%	0.125	26%	0.259	C	S	.	.	H	α-helix	trans	-65.4	-38	179.1	-64.3	-25.4	0	0	0	112.9	T675 L676 K681 K682 L683 E711 H727 L729 M745	T675-Y679 HydrophobicContact CG2-CD2 4.21Å; T675-Y679 HydrophobicContact CG2-CE1 4.46Å; T675-Y679 HydrophobicContact CG2-CE2 3.59Å; T675-Y679 PolarHBondContact O-N 3.5Å; L676-Y679 PolarHBondContact O-N 2.7Å; L676-Y679 VanDerWaalsContact O-N 3.15Å; Y679-K681 VanDerWaalsContact C-N 3.31Å; Y679-K681 PolarHBondContact O-N 3.01Å; Y679-K682 CarbonylContact O-C 3.59Å; Y679-K682 PolarHBondContact O-N 3.46Å; Y679-L683 PolarHBondContact O-N 2.84Å; Y679-E711 VanDerWaalsContact CE2-OE2 3.3Å; Y679-E711 WeakPolarHBondContact CE2-OE2 3.49Å; Y679-E711 PolarHBondContact OH-OE2 3.4Å; Y679-H727 AromaticContact CE2-NE2 3.99Å; Y679-H727 AromaticContact CZ-NE2 3.88Å; Y679-H727 PolarHBondContact OH-NE2 3.03Å; Y679-L729 HydrophobicContact CD2-CD1 3.81Å; Y679-L729 HydrophobicContact CD2-CD2 3.66Å; Y679-L729 HydrophobicContact CD2-CG 4.4Å; Y679-L729 HydrophobicContact CE2-CD2 3.5Å; Y679-M745 HydrophobicContact CD1-CE 4.03Å; Y679-M745 HydrophobicContact CD1-CG 4.32Å; Y679-M745 HydrophobicContact CE1-CE 4.18Å; Y679-M745 HydrophobicContact CG-CE 4.25Å
680	Q	96.2	Very high	92.9	Very high	55 Å²	55	52.8 Å²	52.8	26%	0.257	28%	0.278	S	S	.	.	H	α-helix	trans	-59.3	-40	174.6	-172.1	62.5	21.9	0	0	112.1	L676 E678 K682 L683 I701 L703 T704	L676-Q680 WeakPolarHBondContact O-CB 3.46Å; L676-Q680 PolarHBondContact O-N 3.1Å; E678-Q680 PolarHBondContact O-N 2.93Å; Q680-K682 PolarHBondContact O-N 2.89Å; Q680-L683 PolarHBondContact O-N 2.82Å; Q680-I701 PolarHBondContact NE2-O 3.34Å; Q680-L703 VanDerWaalsContact OE1-CG 3.3Å; Q680-T704 HydrophobicContact CB-CG2 3.78Å; Q680-T704 HydrophobicContact CG-CG2 4.07Å
681	K	95.4	Very high	92.4	Very high	174 Å²	174	52.3 Å²	52.3	76%	0.757	28%	0.278	S	S	*	.	H	α-helix	trans	-68	-21.8	175.8	-67.6	166.7	-170	165.7	0	113.3	K677 E678 Y679	K677-K681 WeakPolarHBondContact O-CD 3.35Å; K677-K681 VanDerWaalsContact O-CE 3.23Å; K677-K681 WeakPolarHBondContact O-CE 3.42Å; K677-K681 VanDerWaalsContact O-CG 3.28Å; K677-K681 WeakPolarHBondContact O-CG 3.16Å; E678-K681 PolarHBondContact O-N 3.39Å; Y679-K681 VanDerWaalsContact C-N 3.31Å; Y679-K681 PolarHBondContact O-N 3.01Å
682	K	95.5	Very high	92	Very high	65 Å²	65	57 Å²	57	28%	0.283	30%	0.3	S	S	.	.	H	α-helix	trans	-103.4	-2.7	-177.8	-67.2	-179.8	176.4	-165.6	0	113.1	E678 Y679 Q680 D743 K744 M745	E678-K682 WeakPolarHBondContact O-CG 3.5Å; E678-K682 PolarHBondContact O-N 2.83Å; Y679-K682 CarbonylContact O-C 3.59Å; Y679-K682 PolarHBondContact O-N 3.46Å; Q680-K682 PolarHBondContact O-N 2.89Å; K682-D743 WeakPolarHBondContact CB-O 3.23Å; K682-D743 WeakPolarHBondContact CD-O 3.25Å; K682-D743 WeakPolarHBondContact CE-OD1 3.48Å; K682-D743 VanDerWaalsContact CE-OD2 3.3Å; K682-D743 WeakPolarHBondContact CE-OD2 3.32Å; K682-D743 WeakPolarHBondContact CG-O 3.49Å; K682-D743 VanDerWaalsContact NZ-CG 3.33Å; K682-D743 IonicContact NZ-OD1 3.14Å; K682-D743 PolarHBondContact NZ-OD1 2.89Å; K682-D743 IonicContact NZ-OD2 2.72Å; K682-D743 PolarHBondContact NZ-OD2 2.82Å; K682-K744 CarbonylContact O-C 3.6Å; K682-K744 WeakPolarHBondContact O-CA 3.4Å; K682-M745 HydrophobicContact CB-CG 4.11Å; K682-M745 PolarHBondContact O-N 3.06Å
683	L	95.8	Very high	91.5	Very high	34 Å²	34	63 Å²	63	18%	0.178	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	131.8	-173.5	-162.1	67.6	0	0	0	111.1	Y679 Q680 T685 I701 L703 M745 L747	Y679-L683 PolarHBondContact O-N 2.84Å; Q680-L683 PolarHBondContact O-N 2.82Å; L683-T685 HydrophobicContact CD2-CG2 4.26Å; L683-T685 HydrophobicContact CG-CG2 4.38Å; L683-I701 HydrophobicContact CD2-CG2 3.73Å; L683-L703 HydrophobicContact CD1-CD1 3.98Å; L683-L703 HydrophobicContact CD2-CD1 4.03Å; L683-L703 HydrophobicContact CD2-CG 4.24Å; L683-M745 HydrophobicContact CD1-CB 4.33Å; L683-L747 HydrophobicContact CD1-CD1 4.03Å; L683-L747 HydrophobicContact CD1-CD2 4.19Å; L683-L747 HydrophobicContact CD1-CG 3.88Å; L683-L747 HydrophobicContact CD2-CD1 4.5Å; L683-L747 HydrophobicContact CG-CD1 4.49Å
684	D	94.8	Very high	91	Very high	27 Å²	27	62.3 Å²	62.3	14%	0.144	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	106.6	174.4	-165.2	-41.1	0	0	0	109.8	S686 K744 M745 L746 L747	D684-S686 VanDerWaalsContact C-N 3.33Å; D684-S686 WeakPolarHBondContact OD1-CB 3.4Å; D684-S686 PolarHBondContact OD1-N 2.82Å; D684-S686 PolarHBondContact OD1-OG 2.86Å; D684-K744 HydrophobicContact CB-CD 4.18Å; D684-K744 WeakPolarHBondContact OD2-CD 3.35Å; D684-K744 WeakPolarHBondContact OD2-CE 3.29Å; D684-K744 IonicContact OD2-NZ 3.75Å; D684-K744 PolarHBondContact OD2-NZ 2.92Å; D684-M745 PolarHBondContact N-O 2.89Å; D684-L746 HydrophobicContact CB-CD1 4.07Å; D684-L747 PolarHBondContact O-N 3.41Å
685	T	94.3	Very high	90.8	Very high	27 Å²	27	63.7 Å²	63.7	17%	0.166	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	3.2	179.8	57.1	0	0	0	0	113	L683 G687 L688 K699 I701	L683-T685 HydrophobicContact CD2-CG2 4.26Å; L683-T685 HydrophobicContact CG-CG2 4.38Å; T685-G687 PolarHBondContact O-N 2.73Å; T685-L688 HydrophobicContact CG2-CD1 4.33Å; T685-L688 WeakPolarHBondContact O-CB 3.34Å; T685-L688 PolarHBondContact O-N 3.37Å; T685-L688 VanDerWaalsContact O-N 3.08Å; T685-K699 PolarHBondContact OG1-O 3.07Å; T685-I701 HydrophobicContact CG2-CG2 4.34Å
686	S	91.8	Very high	90.5	Very high	56 Å²	56	65.6 Å²	65.6	39%	0.392	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	-26.8	-176.5	68.1	0	0	0	0	113.7	D684 L688 K689	D684-S686 VanDerWaalsContact C-N 3.33Å; D684-S686 WeakPolarHBondContact OD1-CB 3.4Å; D684-S686 PolarHBondContact OD1-N 2.82Å; D684-S686 PolarHBondContact OD1-OG 2.86Å; S686-L688 PolarHBondContact O-N 3.49Å; S686-K689 WeakPolarHBondContact O-CB 3.42Å; S686-K689 WeakPolarHBondContact O-CG 3.21Å; S686-K689 PolarHBondContact O-N 2.75Å
687	G	88.9	Confident	90.2	Very high	16 Å²	16	70.4 Å²	70.4	17%	0.165	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	-10.3	175.4	0	0	0	0	0	114.6	T685 L747 K748 C749	T685-G687 PolarHBondContact O-N 2.73Å; G687-L747 CarbonylContact C-O 3.59Å; G687-L747 VanDerWaalsContact C-O 3.22Å; G687-L747 WeakPolarHBondContact CA-O 3.42Å; G687-L747 PolarHBondContact N-O 3.2Å; G687-K748 WeakPolarHBondContact O-CA 3.42Å; G687-C749 PolarHBondContact O-N 3.21Å
688	L	90.1	Very high	90.1	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-76.8	-23.5	174.4	-61.7	-179.6	0	0	0	112.9	T685 S686 A690 S691 Y695 L747 P766	T685-L688 HydrophobicContact CG2-CD1 4.33Å; T685-L688 WeakPolarHBondContact O-CB 3.34Å; T685-L688 PolarHBondContact O-N 3.37Å; T685-L688 VanDerWaalsContact O-N 3.08Å; S686-L688 PolarHBondContact O-N 3.49Å; L688-A690 PolarHBondContact O-N 2.96Å; L688-S691 PolarHBondContact O-N 2.8Å; L688-S691 VanDerWaalsContact O-O 3.1Å; L688-Y695 HydrophobicContact CB-CD2 4.12Å; L688-L747 HydrophobicContact CD2-CB 4.03Å; L688-L747 HydrophobicContact CG-CB 4.16Å; L688-L747 PolarHBondContact N-O 3.34Å; L688-P766 HydrophobicContact CD2-CG 3.37Å
689	K	87.3	Confident	89.9	Confident	129 Å²	129	67.1 Å²	67.1	56%	0.561	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-56.7	-8.2	-175.6	-66.9	177.4	178.3	180	0	115.7	S686 S691 Y695	S686-K689 WeakPolarHBondContact O-CB 3.42Å; S686-K689 WeakPolarHBondContact O-CG 3.21Å; S686-K689 PolarHBondContact O-N 2.75Å; K689-S691 VanDerWaalsContact C-N 3.27Å; K689-Y695 HydrophobicContact CD-CE2 4.23Å; K689-Y695 VanDerWaalsContact CE-CZ 3.49Å; K689-Y695 VanDerWaalsContact CE-OH 3.25Å; K689-Y695 WeakPolarHBondContact CE-OH 3.3Å; K689-Y695 HydrophobicContact CG-CD1 4.28Å; K689-Y695 HydrophobicContact CG-CD2 3.58Å; K689-Y695 HydrophobicContact CG-CE1 4.23Å; K689-Y695 HydrophobicContact CG-CE2 3.51Å; K689-Y695 HydrophobicContact CG-CG 3.97Å
690	A	84.1	Confident	89.6	Confident	68 Å²	68	70.4 Å²	70.4	56%	0.562	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-73.7	-14.8	171.2	0	0	0	0	0	113.7	L688 M763	L688-A690 PolarHBondContact O-N 2.96Å; A690-M763 HydrophobicContact CB-CE 3.82Å; A690-M763 HydrophobicContact CB-SD 3.9Å
691	S	83.3	Confident	89.4	Confident	21 Å²	21	68.5 Å²	68.5	15%	0.147	37%	0.372	C	S	.	.	S	Bend	trans	-125	130	166.9	164.1	0	0	0	0	108.9	L688 K689 L694 Y695	L688-S691 PolarHBondContact O-N 2.8Å; L688-S691 VanDerWaalsContact O-O 3.1Å; K689-S691 VanDerWaalsContact C-N 3.27Å; S691-L694 PolarHBondContact OG-N 2.93Å; S691-Y695 VanDerWaalsContact O-CB 3.23Å; S691-Y695 WeakPolarHBondContact O-CB 3.47Å; S691-Y695 PolarHBondContact O-N 3.26Å; S691-Y695 VanDerWaalsContact O-N 3.15Å
692	V	83.4	Confident	89.3	Confident	127 Å²	127	62.2 Å²	62.2	77%	0.77	35%	0.347	S	S	*	.	H	α-helix	trans	-69.2	-43.1	179.8	179.7	0	0	0	0	110.6	Y695 A696	V692-Y695 PolarHBondContact O-N 3.37Å; V692-A696 WeakPolarHBondContact O-CB 3.11Å; V692-A696 PolarHBondContact O-N 2.88Å
693	E	84.6	Confident	89.2	Confident	157 Å²	157	59.1 Å²	59.1	73%	0.734	33%	0.333	S	S	*	.	H	α-helix	trans	-60.2	-56	178.8	-65.5	150.4	-163.8	0	0	111.6	Y695 A696 E697	E693-Y695 VanDerWaalsContact C-N 3.28Å; E693-Y695 PolarHBondContact O-N 2.88Å; E693-A696 WeakPolarHBondContact O-CB 3.32Å; E693-A696 PolarHBondContact O-N 3.46Å; E693-A696 VanDerWaalsContact O-N 3.07Å; E693-E697 PolarHBondContact O-N 2.88Å
694	L	83.6	Confident	89.1	Confident	30 Å²	30	59.1 Å²	59.1	16%	0.157	34%	0.335	C	S	.	.	H	α-helix	trans	-66.8	-29.6	-178.5	-63.6	174	0	0	0	112.4	S691 Y698	S691-L694 PolarHBondContact OG-N 2.93Å; L694-Y698 HydrophobicContact CD2-CD2 4.34Å; L694-Y698 HydrophobicContact CD2-CE2 3.92Å; L694-Y698 WeakPolarHBondContact O-CD2 3.39Å; L694-Y698 PolarHBondContact O-N 2.85Å
695	Y	86.9	Confident	89	Confident	72 Å²	72	64.9 Å²	64.9	28%	0.282	36%	0.361	S	S	.	.	H	α-helix	trans	-73.8	-34.5	172.1	-175.1	-110.3	0	0	0	112.1	L688 K689 S691 V692 E693 K699	L688-Y695 HydrophobicContact CB-CD2 4.12Å; K689-Y695 HydrophobicContact CD-CE2 4.23Å; K689-Y695 VanDerWaalsContact CE-CZ 3.49Å; K689-Y695 VanDerWaalsContact CE-OH 3.25Å; K689-Y695 WeakPolarHBondContact CE-OH 3.3Å; K689-Y695 HydrophobicContact CG-CD1 4.28Å; K689-Y695 HydrophobicContact CG-CD2 3.58Å; K689-Y695 HydrophobicContact CG-CE1 4.23Å; K689-Y695 HydrophobicContact CG-CE2 3.51Å; K689-Y695 HydrophobicContact CG-CG 3.97Å; S691-Y695 VanDerWaalsContact O-CB 3.23Å; S691-Y695 WeakPolarHBondContact O-CB 3.47Å; S691-Y695 PolarHBondContact O-N 3.26Å; S691-Y695 VanDerWaalsContact O-N 3.15Å; V692-Y695 PolarHBondContact O-N 3.37Å; E693-Y695 VanDerWaalsContact C-N 3.28Å; E693-Y695 PolarHBondContact O-N 2.88Å; Y695-K699 HydrophobicContact CD2-CB 4.18Å; Y695-K699 HydrophobicContact CE2-CB 4Å; Y695-K699 HydrophobicContact CE2-CG 4.37Å; Y695-K699 WeakPolarHBondContact O-CA 3.2Å; Y695-K699 WeakPolarHBondContact O-CB 3.25Å; Y695-K699 PolarHBondContact O-N 2.87Å
696	A	87.8	Confident	89	Confident	81 Å²	81	66.3 Å²	66.3	67%	0.669	36%	0.363	S	S	*	.	H	α-helix	trans	-65.6	-44.1	173.3	0	0	0	0	0	111.6	V692 E693	V692-A696 WeakPolarHBondContact O-CB 3.11Å; V692-A696 PolarHBondContact O-N 2.88Å; E693-A696 WeakPolarHBondContact O-CB 3.32Å; E693-A696 PolarHBondContact O-N 3.46Å; E693-A696 VanDerWaalsContact O-N 3.07Å
697	E	87.7	Confident	89.1	Confident	102 Å²	102	67.1 Å²	67.1	48%	0.477	36%	0.36	S	S	.	.	H	α-helix	trans	-69.9	-44.5	-179.1	-166.5	176.1	-157.9	0	0	112.7	E693 K769	E693-E697 PolarHBondContact O-N 2.88Å; E697-K769 WeakPolarHBondContact OE1-CE 3.44Å; E697-K769 IonicContact OE1-NZ 3.66Å; E697-K769 PolarHBondContact OE1-NZ 3.43Å
698	Y	90.7	Very high	89.4	Confident	16 Å²	16	66.5 Å²	66.5	6%	0.063	35%	0.353	C	S	.	.	H	α-helix	trans	-117.3	8	-169.1	-51.6	-73.6	0	0	0	116.3	L694 S700 I701 M734 I767 K769	L694-Y698 HydrophobicContact CD2-CD2 4.34Å; L694-Y698 HydrophobicContact CD2-CE2 3.92Å; L694-Y698 WeakPolarHBondContact O-CD2 3.39Å; L694-Y698 PolarHBondContact O-N 2.85Å; Y698-S700 PolarHBondContact O-N 2.82Å; Y698-S700 VanDerWaalsContact O-N 3.08Å; Y698-I701 HydrophobicContact CD1-CB 4.42Å; Y698-I701 HydrophobicContact CD1-CD1 4.01Å; Y698-I701 WeakPolarHBondContact O-CG2 3.13Å; Y698-I701 PolarHBondContact O-N 2.79Å; Y698-M734 HydrophobicContact CE1-CE 4.35Å; Y698-I767 HydrophobicContact CD1-CD1 3.55Å; Y698-I767 HydrophobicContact CD1-CG2 4.49Å; Y698-I767 HydrophobicContact CD2-CD1 3.81Å; Y698-I767 HydrophobicContact CE1-CD1 4.08Å; Y698-I767 HydrophobicContact CE1-CG2 3.94Å; Y698-I767 HydrophobicContact CE2-CB 4.48Å; Y698-I767 HydrophobicContact CE2-CD1 4.35Å; Y698-I767 HydrophobicContact CE2-CG2 4.5Å; Y698-I767 HydrophobicContact CG-CD1 3.39Å; Y698-K769 WeakPolarHBondContact OH-CE 3.39Å
699	K	89.6	Confident	89.7	Confident	121 Å²	121	69.2 Å²	69.2	53%	0.526	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.5	-41.9	174.8	151.4	-168.6	165.2	-155	0	112.9	T685 Y695	T685-K699 PolarHBondContact OG1-O 3.07Å; Y695-K699 HydrophobicContact CD2-CB 4.18Å; Y695-K699 HydrophobicContact CE2-CB 4Å; Y695-K699 HydrophobicContact CE2-CG 4.37Å; Y695-K699 WeakPolarHBondContact O-CA 3.2Å; Y695-K699 WeakPolarHBondContact O-CB 3.25Å; Y695-K699 PolarHBondContact O-N 2.87Å
700	S	89.5	Confident	90.1	Very high	101 Å²	101	64.9 Å²	64.9	71%	0.706	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.7	39.9	-175.8	52.6	0	0	0	0	111.4	Y698 D702	Y698-S700 PolarHBondContact O-N 2.82Å; Y698-S700 VanDerWaalsContact O-N 3.08Å; S700-D702 PolarHBondContact O-N 3.25Å
701	I	92.6	Very high	90.7	Very high	14 Å²	14	63.5 Å²	63.5	7%	0.072	33%	0.33	C	S	.	.			trans	-58.4	134	170.6	-175	174.2	0	0	0	110.4	Q680 L683 T685 Y698 L703 M734 I767	Q680-I701 PolarHBondContact NE2-O 3.34Å; L683-I701 HydrophobicContact CD2-CG2 3.73Å; T685-I701 HydrophobicContact CG2-CG2 4.34Å; Y698-I701 HydrophobicContact CD1-CB 4.42Å; Y698-I701 HydrophobicContact CD1-CD1 4.01Å; Y698-I701 WeakPolarHBondContact O-CG2 3.13Å; Y698-I701 PolarHBondContact O-N 2.79Å; I701-L703 HydrophobicContact CD1-CD2 3.8Å; I701-L703 HydrophobicContact CG1-CD2 4.17Å; I701-M734 HydrophobicContact CD1-CE 4.07Å; I701-M734 HydrophobicContact CD1-SD 3.64Å; I701-I767 HydrophobicContact CD1-CD1 3.99Å
702	D	93.2	Very high	91.3	Very high	43 Å²	43	62.8 Å²	62.8	23%	0.23	33%	0.326	C	S	.	.			trans	-106.5	113.5	168.9	-167.7	-9.1	0	0	0	109.6	S700 T704 Q705 R706	S700-D702 PolarHBondContact O-N 3.25Å; D702-T704 VanDerWaalsContact C-N 3.29Å; D702-T704 WeakPolarHBondContact OD1-CA 3.38Å; D702-T704 WeakPolarHBondContact OD1-CB 3.03Å; D702-T704 PolarHBondContact OD1-N 2.66Å; D702-T704 PolarHBondContact OD1-OG1 3.03Å; D702-T704 PolarHBondContact OD2-OG1 3.06Å; D702-Q705 HydrophobicContact CB-CG 4.11Å; D702-Q705 PolarHBondContact OD2-NE2 3.03Å; D702-R706 PolarHBondContact O-NH1 2.64Å; D702-R706 VanDerWaalsContact O-NH1 3.1Å
703	L	94.1	Very high	92	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-77.9	-15.9	176.2	-55.4	175.4	0	0	0	111.9	L676 Q680 L683 I701 Q705 L729 L731 V736	L676-L703 WeakPolarHBondContact CD1-O 3.3Å; L676-L703 HydrophobicContact CD2-CB 4.13Å; Q680-L703 VanDerWaalsContact OE1-CG 3.3Å; L683-L703 HydrophobicContact CD1-CD1 3.98Å; L683-L703 HydrophobicContact CD2-CD1 4.03Å; L683-L703 HydrophobicContact CD2-CG 4.24Å; I701-L703 HydrophobicContact CD1-CD2 3.8Å; I701-L703 HydrophobicContact CG1-CD2 4.17Å; L703-Q705 VanDerWaalsContact C-N 3.33Å; L703-L729 HydrophobicContact CD1-CD1 4.2Å; L703-L731 HydrophobicContact CD2-CD1 3.99Å; L703-V736 HydrophobicContact CD2-CG2 4.33Å
704	T	93.1	Very high	92.7	Very high	34 Å²	34	52.3 Å²	52.3	21%	0.209	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-84.6	-6.1	-176.9	71.7	0	0	0	0	113.8	M673 L676 K677 Q680 D702 R706	M673-T704 WeakPolarHBondContact CE-O 3.29Å; L676-T704 HydrophobicContact CB-CG2 4.45Å; K677-T704 HydrophobicContact CB-CG2 4.37Å; K677-T704 HydrophobicContact CG-CG2 3.69Å; Q680-T704 HydrophobicContact CB-CG2 3.78Å; Q680-T704 HydrophobicContact CG-CG2 4.07Å; D702-T704 VanDerWaalsContact C-N 3.29Å; D702-T704 WeakPolarHBondContact OD1-CA 3.38Å; D702-T704 WeakPolarHBondContact OD1-CB 3.03Å; D702-T704 PolarHBondContact OD1-N 2.66Å; D702-T704 PolarHBondContact OD1-OG1 3.03Å; D702-T704 PolarHBondContact OD2-OG1 3.06Å; T704-R706 VanDerWaalsContact C-N 3.26Å
705	Q	93.3	Very high	93.3	Very high	148 Å²	148	53.1 Å²	53.1	69%	0.692	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-89.5	14	173	-63.2	174.3	22.2	0	0	112.6	D702 L703	D702-Q705 HydrophobicContact CB-CG 4.11Å; D702-Q705 PolarHBondContact OD2-NE2 3.03Å; L703-Q705 VanDerWaalsContact C-N 3.33Å
706	R	92.9	Very high	93.9	Very high	56 Å²	56	49.7 Å²	49.7	21%	0.211	27%	0.266	C	S	.	.	S	Bend	trans	-136.9	149.5	-171.8	-70.8	173	167.8	70.8	14.6	111.2	L676 D702 T704 L731 D732 D733	L676-R706 VanDerWaalsContact CD1-O 3.25Å; L676-R706 WeakPolarHBondContact CD1-O 3.46Å; D702-R706 PolarHBondContact O-NH1 2.64Å; D702-R706 VanDerWaalsContact O-NH1 3.1Å; T704-R706 VanDerWaalsContact C-N 3.26Å; R706-L731 HydrophobicContact CB-CB 4.28Å; R706-L731 HydrophobicContact CB-CD1 4.09Å; R706-L731 VanDerWaalsContact CD-CD1 3.43Å; R706-L731 HydrophobicContact CG-CD1 4.41Å; R706-D732 WeakPolarHBondContact CB-OD1 3.48Å; R706-D733 VanDerWaalsContact CD-OD1 3.27Å; R706-D733 WeakPolarHBondContact CD-OD1 3.48Å; R706-D733 IonicContact CZ-OD1 3.63Å; R706-D733 IonicContact CZ-OD2 3.96Å; R706-D733 VanDerWaalsContact CZ-OD2 3.31Å; R706-D733 VanDerWaalsContact NE-CG 3.25Å; R706-D733 IonicContact NE-OD1 2.69Å; R706-D733 PolarHBondContact NE-OD1 3.29Å; R706-D733 IonicContact NE-OD2 2.69Å; R706-D733 PolarHBondContact NE-OD2 2.93Å; R706-D733 IonicContact NH2-OD1 2.85Å; R706-D733 IonicContact NH2-OD2 2.78Å; R706-D733 PolarHBondContact NH2-OD2 3.37Å
707	K	93.3	Very high	94.3	Very high	74 Å²	74	49.5 Å²	49.5	32%	0.322	25%	0.248	S	C	.	.			trans	-85.2	110.8	173	-171.5	165	-178.2	156.9	0	110	T669 L709 L731 D732	T669-K707 HydrophobicContact CG2-CD 4.18Å; T669-K707 HydrophobicContact CG2-CG 4.46Å; T669-K707 WeakPolarHBondContact OG1-CE 3.33Å; T669-K707 PolarHBondContact OG1-NZ 3.29Å; K707-L709 HydrophobicContact CD-CD2 4.4Å; K707-L709 HydrophobicContact CG-CD2 4.09Å; K707-L709 PolarHBondContact O-N 2.74Å; K707-L731 CarbonylContact O-C 3.58Å; K707-L731 WeakPolarHBondContact O-CA 3.46Å; K707-D732 WeakPolarHBondContact CB-OD2 3.18Å; K707-D732 PolarHBondContact N-OD2 2.89Å; K707-D732 PolarHBondContact O-N 3.34Å; K707-D732 VanDerWaalsContact O-N 3.12Å
708	M	96.8	Very high	94.5	Very high	3 Å²	3	45 Å²	45	2%	0.015	23%	0.228	C	C	.	.			trans	-68.5	121.8	167.6	179.5	172.1	74.4	0	0	109.8	N672 T675 L676 E711 L729 L731	N672-M708 HydrophobicContact CB-CB 4.31Å; N672-M708 HydrophobicContact CB-CE 3.77Å; N672-M708 PolarHBondContact ND2-O 3.36Å; T675-M708 HydrophobicContact CG2-CE 4.12Å; L676-M708 HydrophobicContact CD1-CB 3.65Å; L676-M708 HydrophobicContact CD2-CB 4.03Å; L676-M708 HydrophobicContact CD2-SD 4.19Å; L676-M708 HydrophobicContact CG-CB 3.83Å; L676-M708 HydrophobicContact CG-SD 4.36Å; M708-E711 HydrophobicContact CE-CG 4.13Å; M708-E711 HydrophobicContact SD-CB 3.89Å; M708-E711 HydrophobicContact SD-CG 4.03Å; M708-L729 HydrophobicContact SD-CD2 4.05Å; M708-L731 HydrophobicContact CB-CD2 3.85Å; M708-L731 HydrophobicContact CG-CD2 4.23Å
709	L	94.9	Very high	94.4	Very high	56 Å²	56	45.7 Å²	45.7	29%	0.293	23%	0.234	S	C	.	.			trans	-94.7	-39.7	-179.7	-57.3	179	0	0	0	111.4	K707 L730 T818	K707-L709 HydrophobicContact CD-CD2 4.4Å; K707-L709 HydrophobicContact CG-CD2 4.09Å; K707-L709 PolarHBondContact O-N 2.74Å; L709-L730 HydrophobicContact CB-CD2 4.5Å; L709-L730 HydrophobicContact CB-CG 4.42Å; L709-L730 PolarHBondContact N-O 3.25Å; L709-T818 HydrophobicContact CD1-CG2 3.59Å; L709-T818 WeakPolarHBondContact CD1-OG1 3.42Å
710	F	96.3	Very high	94.2	Very high	39 Å²	39	49.8 Å²	49.8	17%	0.171	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	156.1	-179.7	-161	-113.5	0	0	0	111.8	L730 T810 W811 I814	F710-L730 HydrophobicContact CB-CB 4.14Å; F710-L730 HydrophobicContact CB-CD2 4.2Å; F710-L730 PolarHBondContact N-O 2.9Å; F710-L730 PolarHBondContact O-N 3.04Å; F710-T810 HydrophobicContact CE1-CG2 4.25Å; F710-T810 HydrophobicContact CE2-CG2 4Å; F710-T810 HydrophobicContact CZ-CG2 3.61Å; F710-W811 AromaticContact CD1-CD2 3.8Å; F710-W811 HydrophobicContact CD1-CD2 3.8Å; F710-W811 AromaticContact CD1-CE2 3.79Å; F710-W811 AromaticContact CD1-CE3 3.8Å; F710-W811 HydrophobicContact CD1-CE3 3.8Å; F710-W811 AromaticContact CD1-CH2 3.83Å; F710-W811 HydrophobicContact CD1-CH2 3.83Å; F710-W811 AromaticContact CD1-CZ2 3.83Å; F710-W811 HydrophobicContact CD1-CZ2 3.83Å; F710-W811 AromaticContact CD1-CZ3 3.83Å; F710-W811 HydrophobicContact CD1-CZ3 3.83Å; F710-W811 AromaticContact CE1-CD2 3.8Å; F710-W811 HydrophobicContact CE1-CD2 3.8Å; F710-W811 AromaticContact CE1-CE2 3.6Å; F710-W811 HydrophobicContact CE1-CE3 4.28Å; F710-W811 HydrophobicContact CE1-CG 4.17Å; F710-W811 HydrophobicContact CE1-CH2 4.42Å; F710-W811 AromaticContact CE1-CZ2 3.95Å; F710-W811 HydrophobicContact CE1-CZ2 3.95Å; F710-W811 AromaticContact CE1-NE1 3.8Å; F710-I814 HydrophobicContact CB-CD1 4.31Å; F710-I814 HydrophobicContact CB-CG2 4.27Å; F710-I814 HydrophobicContact CD1-CD1 4.3Å; F710-I814 HydrophobicContact CD2-CD1 3.54Å; F710-I814 HydrophobicContact CE2-CD1 3.81Å; F710-I814 HydrophobicContact CG-CD1 3.82Å; F710-I814 HydrophobicContact CZ-CD1 4.3Å
711	E	96.6	Very high	94.1	Very high	38 Å²	38	51.3 Å²	51.3	18%	0.178	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	160.8	174.7	59.6	134.9	-150.2	0	0	112.5	Y679 M708 H727 C728 L729	Y679-E711 VanDerWaalsContact CE2-OE2 3.3Å; Y679-E711 WeakPolarHBondContact CE2-OE2 3.49Å; Y679-E711 PolarHBondContact OH-OE2 3.4Å; M708-E711 HydrophobicContact CE-CG 4.13Å; M708-E711 HydrophobicContact SD-CB 3.89Å; M708-E711 HydrophobicContact SD-CG 4.03Å; E711-H727 IonicContact OE2-CD2 2.85Å; E711-H727 IonicContact OE2-CE1 3.73Å; E711-H727 PolarHBondContact OE2-CE1 3.02Å; E711-H727 IonicContact OE2-NE2 3.26Å; E711-H727 PolarHBondContact OE2-NE2 3.38Å; E711-C728 VanDerWaalsContact CA-O 3.25Å; E711-C728 WeakPolarHBondContact CA-O 3.47Å; E711-L729 HydrophobicContact CB-CD2 3.85Å
712	G	96.9	Very high	94.1	Very high	7 Å²	7	54.2 Å²	54.2	7%	0.072	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.2	173	173.1	0	0	0	0	0	115.1	C728	G712-C728 PolarHBondContact N-O 3.44Å; G712-C728 PolarHBondContact O-N 2.83Å
713	P	97.6	Very high	94.2	Very high	59 Å²	59	55.2 Å²	55.2	38%	0.383	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	130.1	-178.8	31.7	-35.5	0	0	0	112.6	V726 Q803	P713-V726 WeakPolarHBondContact CA-O 3.34Å; P713-Q803 VanDerWaalsContact CG-NE2 3.28Å
714	L	98.4	Very high	94.3	Very high	5 Å²	5	56.4 Å²	56.4	3%	0.026	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	158.3	169.8	-68.1	178.8	0	0	0	110.2	V726 C728 F785 L800 A802 W811	L714-V726 HydrophobicContact CB-CG2 4.29Å; L714-V726 PolarHBondContact N-O 2.93Å; L714-V726 WeakPolarHBondContact O-CG2 3.33Å; L714-V726 PolarHBondContact O-N 2.82Å; L714-C728 HydrophobicContact CD1-CB 4.27Å; L714-F785 HydrophobicContact CD1-CE1 4.14Å; L714-F785 HydrophobicContact CD1-CZ 3.97Å; L714-L800 HydrophobicContact CD1-CB 4.2Å; L714-L800 HydrophobicContact CD1-CD1 4.07Å; L714-A802 HydrophobicContact CD2-CB 3.79Å; L714-W811 HydrophobicContact CD1-CD2 3.85Å; L714-W811 HydrophobicContact CD1-CE3 4.32Å; L714-W811 HydrophobicContact CD1-CG 4.13Å; L714-W811 HydrophobicContact CD1-CZ2 4.15Å; L714-W811 HydrophobicContact CD2-CG 4.34Å; L714-W811 HydrophobicContact CG-CD2 4.48Å; L714-W811 HydrophobicContact CG-CZ2 4.27Å
715	V	98.3	Very high	94.5	Very high	46 Å²	46	60.8 Å²	60.8	28%	0.279	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	117.2	169.6	-173.7	0	0	0	0	108.7	A723 V801	V715-A723 HydrophobicContact CG1-CB 3.79Å; V715-V801 HydrophobicContact CB-CB 4.24Å; V715-V801 PolarHBondContact N-O 2.89Å; V715-V801 PolarHBondContact O-N 2.87Å
716	W	97.5	Very high	94.7	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	111.3	175.1	179.4	18.6	0	0	0	110.2	V718 A723 I724 V726 L737 Q750 L764 Y798 L800	W716-V718 HydrophobicContact CD2-CG2 3.92Å; W716-V718 HydrophobicContact CE3-CG2 4.45Å; W716-V718 HydrophobicContact CG-CG2 4.2Å; W716-V718 HydrophobicContact CZ2-CG2 4.31Å; W716-V718 PolarHBondContact O-N 3.18Å; W716-A723 CarbonylContact O-C 3.53Å; W716-A723 WeakPolarHBondContact O-CA 3.36Å; W716-I724 PolarHBondContact N-O 2.7Å; W716-I724 PolarHBondContact O-N 2.67Å; W716-V726 HydrophobicContact CB-CG1 4.32Å; W716-V726 HydrophobicContact CB-CG2 3.95Å; W716-V726 HydrophobicContact CE3-CG1 4.13Å; W716-L737 HydrophobicContact CD2-CD1 3.94Å; W716-L737 HydrophobicContact CE3-CB 4.36Å; W716-L737 HydrophobicContact CE3-CD1 3.95Å; W716-L737 HydrophobicContact CH2-CD1 4.13Å; W716-L737 HydrophobicContact CZ2-CD1 4.15Å; W716-L737 HydrophobicContact CZ3-CB 4.36Å; W716-L737 HydrophobicContact CZ3-CD1 4.03Å; W716-Q750 HydrophobicContact CE3-CG 4.19Å; W716-Q750 HydrophobicContact CH2-CB 3.96Å; W716-Q750 HydrophobicContact CH2-CG 3.49Å; W716-Q750 VanDerWaalsContact CH2-CG 3.49Å; W716-Q750 HydrophobicContact CZ2-CB 4.29Å; W716-Q750 HydrophobicContact CZ2-CG 4.19Å; W716-Q750 HydrophobicContact CZ3-CB 4.42Å; W716-Q750 HydrophobicContact CZ3-CG 3.48Å; W716-Q750 VanDerWaalsContact CZ3-CG 3.48Å; W716-L764 HydrophobicContact CH2-CB 4.07Å; W716-L764 HydrophobicContact CZ2-CB 3.63Å; W716-L764 HydrophobicContact CZ2-CD1 3.55Å; W716-L764 HydrophobicContact CZ2-CG 4.25Å; W716-Y798 AromaticContact CE2-CD1 3.74Å; W716-Y798 HydrophobicContact CH2-CE1 4.19Å; W716-Y798 AromaticContact CZ2-CD1 3.56Å; W716-Y798 HydrophobicContact CZ2-CD1 3.56Å; W716-Y798 AromaticContact CZ2-CE1 3.52Å; W716-Y798 HydrophobicContact CZ2-CE1 3.52Å; W716-Y798 AromaticContact NE1-CD1 3.65Å; W716-L800 HydrophobicContact CB-CD2 3.92Å; W716-L800 HydrophobicContact CG-CD2 4.05Å
717	R	96.2	Very high	95	Very high	77 Å²	77	52.7 Å²	52.7	29%	0.291	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	110.1	169.9	-71.2	169.7	179.6	156.5	9.4	108.6	A723 D781 E799 V801	R717-A723 HydrophobicContact CG-CB 4.39Å; R717-D781 IonicContact CZ-OD2 2.7Å; R717-D781 VanDerWaalsContact CZ-OD2 3.27Å; R717-D781 IonicContact NH1-OD2 3.23Å; R717-D781 PolarHBondContact NH1-OD2 2.9Å; R717-D781 IonicContact NH2-OD2 3.56Å; R717-D781 PolarHBondContact NH2-OD2 2.95Å; R717-E799 HydrophobicContact CB-CB 4.03Å; R717-E799 HydrophobicContact CB-CG 4.14Å; R717-E799 WeakPolarHBondContact CD-OE1 3.23Å; R717-E799 IonicContact CZ-OE1 2.74Å; R717-E799 PolarHBondContact N-O 2.89Å; R717-E799 IonicContact NE-OE1 3.87Å; R717-E799 IonicContact NH1-OE1 2.71Å; R717-E799 PolarHBondContact NH1-OE1 3.36Å; R717-V801 HydrophobicContact CG-CG2 4.18Å; R717-V801 VanDerWaalsContact CZ-CG2 3.48Å
718	V	92.9	Very high	95.2	Very high	9 Å²	9	49.1 Å²	49.1	6%	0.055	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-41.6	177.8	178.7	0	0	0	0	110.6	W716 K722 I724 Q750 S751 L764	W716-V718 HydrophobicContact CD2-CG2 3.92Å; W716-V718 HydrophobicContact CE3-CG2 4.45Å; W716-V718 HydrophobicContact CG-CG2 4.2Å; W716-V718 HydrophobicContact CZ2-CG2 4.31Å; W716-V718 PolarHBondContact O-N 3.18Å; V718-K722 HydrophobicContact CB-CD 4.22Å; V718-K722 HydrophobicContact CB-CG 4.41Å; V718-K722 HydrophobicContact CG1-CD 4.34Å; V718-K722 PolarHBondContact N-O 3.49Å; V718-I724 HydrophobicContact CG2-CD1 3.72Å; V718-I724 HydrophobicContact CG2-CG1 4.2Å; V718-Q750 HydrophobicContact CG1-CB 3.91Å; V718-Q750 HydrophobicContact CG2-CB 3.95Å; V718-Q750 HydrophobicContact CG2-CG 4.06Å; V718-S751 WeakPolarHBondContact CG1-O 3.18Å; V718-L764 HydrophobicContact CG1-CD1 4.25Å
719	T	89	Confident	95.3	Very high	29 Å²	29	49.1 Å²	49.1	18%	0.178	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	173	168	77.6	0	0	0	0	108.5	E721 K722 K752	T719-E721 VanDerWaalsContact CB-OE2 3.25Å; T719-E721 WeakPolarHBondContact CB-OE2 3.43Å; T719-E721 PolarHBondContact O-N 3.48Å; T719-E721 PolarHBondContact OG1-N 2.8Å; T719-E721 PolarHBondContact OG1-OE2 3.11Å; T719-K722 PolarHBondContact N-O 2.69Å; T719-K722 CarbonylContact O-C 3.22Å; T719-K722 PolarHBondContact O-N 2.97Å; T719-K722 VanDerWaalsContact O-N 3.1Å; T719-K722 WeakPolarHBondContact OG1-CB 3.36Å; T719-K722 PolarHBondContact OG1-N 3.03Å; T719-K752 WeakPolarHBondContact CG2-O 3.44Å
720	K	85.6	Confident	95.4	Very high	207 Å²	207	46.4 Å²	46.4	90%	0.9	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.6	177	-66.1	179.3	178.3	179.2	0	112.9
721	E	87.6	Confident	95.4	Very high	134 Å²	134	44.6 Å²	44.6	63%	0.626	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-10.1	-178.9	-45.8	72.7	-152.1	0	0	112.6	T719 N754	T719-E721 VanDerWaalsContact CB-OE2 3.25Å; T719-E721 WeakPolarHBondContact CB-OE2 3.43Å; T719-E721 PolarHBondContact O-N 3.48Å; T719-E721 PolarHBondContact OG1-N 2.8Å; T719-E721 PolarHBondContact OG1-OE2 3.11Å; E721-N754 PolarHBondContact OE2-ND2 2.94Å; E721-N754 VanDerWaalsContact OE2-ND2 3.1Å
722	K	92.7	Very high	95.3	Very high	74 Å²	74	45.5 Å²	45.5	32%	0.322	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	93.3	-168.5	-171.7	-175.4	173.1	-163	0	111.8	V718 T719	V718-K722 HydrophobicContact CB-CD 4.22Å; V718-K722 HydrophobicContact CB-CG 4.41Å; V718-K722 HydrophobicContact CG1-CD 4.34Å; V718-K722 PolarHBondContact N-O 3.49Å; T719-K722 PolarHBondContact N-O 2.69Å; T719-K722 CarbonylContact O-C 3.22Å; T719-K722 PolarHBondContact O-N 2.97Å; T719-K722 VanDerWaalsContact O-N 3.1Å; T719-K722 WeakPolarHBondContact OG1-CB 3.36Å; T719-K722 PolarHBondContact OG1-N 3.03Å
723	A	95.1	Very high	95.2	Very high	64 Å²	64	47.6 Å²	47.6	53%	0.529	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	151.7	165.3	0	0	0	0	0	110.9	V715 W716 R717	V715-A723 HydrophobicContact CG1-CB 3.79Å; W716-A723 CarbonylContact O-C 3.53Å; W716-A723 WeakPolarHBondContact O-CA 3.36Å; R717-A723 HydrophobicContact CG-CB 4.39Å
724	I	96.4	Very high	95.1	Very high	26 Å²	26	45 Å²	45	13%	0.133	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	128.3	-180	-50.1	-178.2	0	0	0	108.8	W716 V718 V726 Q739 Q750	W716-I724 PolarHBondContact N-O 2.7Å; W716-I724 PolarHBondContact O-N 2.67Å; V718-I724 HydrophobicContact CG2-CD1 3.72Å; V718-I724 HydrophobicContact CG2-CG1 4.2Å; I724-V726 HydrophobicContact CG2-CG1 4.3Å; I724-V726 PolarHBondContact O-N 3.42Å; I724-Q739 HydrophobicContact CG2-CG 3.61Å; I724-Q750 HydrophobicContact CD1-CG 3.87Å; I724-Q750 VanDerWaalsContact CD1-NE2 3.29Å
725	D	97.1	Very high	95	Very high	126 Å²	126	44.7 Å²	44.7	67%	0.674	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	124.4	170.4	-59.3	-34.6	0	0	0	109.7
726	V	97.8	Very high	95	Very high	6 Å²	6	42.5 Å²	42.5	4%	0.036	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	145.3	178.5	-72	0	0	0	0	110.8	P713 L714 W716 I724 L737 A738 Q739	P713-V726 WeakPolarHBondContact CA-O 3.34Å; L714-V726 HydrophobicContact CB-CG2 4.29Å; L714-V726 PolarHBondContact N-O 2.93Å; L714-V726 WeakPolarHBondContact O-CG2 3.33Å; L714-V726 PolarHBondContact O-N 2.82Å; W716-V726 HydrophobicContact CB-CG1 4.32Å; W716-V726 HydrophobicContact CB-CG2 3.95Å; W716-V726 HydrophobicContact CE3-CG1 4.13Å; I724-V726 HydrophobicContact CG2-CG1 4.3Å; I724-V726 PolarHBondContact O-N 3.42Å; V726-L737 HydrophobicContact CG1-CB 4.4Å; V726-A738 CarbonylContact C-O 3.59Å; V726-A738 WeakPolarHBondContact CA-O 3.33Å; V726-Q739 HydrophobicContact CG1-CG 4.25Å
727	H	97.7	Very high	95	Very high	27 Å²	27	42.5 Å²	42.5	13%	0.125	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	114.1	162.6	-168.7	91.9	0	0	0	107.3	Y679 E711 A738 M745	Y679-H727 AromaticContact CE2-NE2 3.99Å; Y679-H727 AromaticContact CZ-NE2 3.88Å; Y679-H727 PolarHBondContact OH-NE2 3.03Å; E711-H727 IonicContact OE2-CD2 2.85Å; E711-H727 IonicContact OE2-CE1 3.73Å; E711-H727 PolarHBondContact OE2-CE1 3.02Å; E711-H727 IonicContact OE2-NE2 3.26Å; E711-H727 PolarHBondContact OE2-NE2 3.38Å; H727-A738 PolarHBondContact N-O 3.34Å; H727-A738 PolarHBondContact O-N 2.92Å; H727-M745 HydrophobicContact CB-CE 4.03Å
728	C	98	Very high	95	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	135.9	-177	-67.5	0	0	0	0	110.3	E711 G712 L714 L735 V736 L737 W811	E711-C728 VanDerWaalsContact CA-O 3.25Å; E711-C728 WeakPolarHBondContact CA-O 3.47Å; G712-C728 PolarHBondContact N-O 3.44Å; G712-C728 PolarHBondContact O-N 2.83Å; L714-C728 HydrophobicContact CD1-CB 4.27Å; C728-L735 HydrophobicContact CB-CD1 4.25Å; C728-V736 CarbonylContact C-O 3.5Å; C728-V736 VanDerWaalsContact CA-O 3.29Å; C728-V736 WeakPolarHBondContact CA-O 3.4Å; C728-L737 WeakPolarHBondContact SG-CD2 3.36Å; C728-W811 HydrophobicContact CB-CH2 3.4Å; C728-W811 HydrophobicContact CB-CZ2 3.86Å; C728-W811 HydrophobicContact CB-CZ3 4.07Å
729	L	97.9	Very high	95.2	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	115.8	171	-51.7	177.5	0	0	0	107.9	Y679 L703 M708 E711 L731 V736	Y679-L729 HydrophobicContact CD2-CD1 3.81Å; Y679-L729 HydrophobicContact CD2-CD2 3.66Å; Y679-L729 HydrophobicContact CD2-CG 4.4Å; Y679-L729 HydrophobicContact CE2-CD2 3.5Å; L703-L729 HydrophobicContact CD1-CD1 4.2Å; M708-L729 HydrophobicContact SD-CD2 4.05Å; E711-L729 HydrophobicContact CB-CD2 3.85Å; L729-L731 HydrophobicContact CB-CD2 4.3Å; L729-V736 HydrophobicContact CB-CB 4.32Å; L729-V736 PolarHBondContact N-O 2.98Å; L729-V736 PolarHBondContact O-N 2.98Å
730	L	97.7	Very high	95.4	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	112.7	169.3	179.9	63.8	0	0	0	108.5	L709 F710 L735 L770 W811 I814 I815	L709-L730 HydrophobicContact CB-CD2 4.5Å; L709-L730 HydrophobicContact CB-CG 4.42Å; L709-L730 PolarHBondContact N-O 3.25Å; F710-L730 HydrophobicContact CB-CB 4.14Å; F710-L730 HydrophobicContact CB-CD2 4.2Å; F710-L730 PolarHBondContact N-O 2.9Å; F710-L730 PolarHBondContact O-N 3.04Å; L730-L735 HydrophobicContact CB-CD1 4.3Å; L730-L735 HydrophobicContact CD1-CB 4.36Å; L730-L735 HydrophobicContact CD1-CD1 4.4Å; L730-L770 HydrophobicContact CD1-CD1 3.62Å; L730-L770 HydrophobicContact CD1-CD2 4.21Å; L730-W811 HydrophobicContact CB-CZ3 4.09Å; L730-I814 HydrophobicContact CD2-CB 4.38Å; L730-I814 HydrophobicContact CD2-CG2 3.61Å; L730-I815 HydrophobicContact CD1-CG1 4.04Å; L730-I815 HydrophobicContact CD2-CB 4.49Å; L730-I815 HydrophobicContact CD2-CG1 3.79Å; L730-I815 HydrophobicContact CG-CG1 4.49Å
731	L	96.9	Very high	95.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.205	C	C	.	.			trans	-96.7	-176.4	173.5	-47.8	-175.7	0	0	0	109.1	L676 L703 R706 K707 M708 L729 M734 V736	L676-L731 HydrophobicContact CD2-CD2 3.93Å; L703-L731 HydrophobicContact CD2-CD1 3.99Å; R706-L731 HydrophobicContact CB-CB 4.28Å; R706-L731 HydrophobicContact CB-CD1 4.09Å; R706-L731 VanDerWaalsContact CD-CD1 3.43Å; R706-L731 HydrophobicContact CG-CD1 4.41Å; K707-L731 CarbonylContact O-C 3.58Å; K707-L731 WeakPolarHBondContact O-CA 3.46Å; M708-L731 HydrophobicContact CB-CD2 3.85Å; M708-L731 HydrophobicContact CG-CD2 4.23Å; L729-L731 HydrophobicContact CB-CD2 4.3Å; L731-M734 HydrophobicContact CB-CG 4.22Å; L731-M734 WeakPolarHBondContact CB-O 3.23Å; L731-M734 HydrophobicContact CD1-CG 3.86Å; L731-M734 HydrophobicContact CD1-SD 4.28Å; L731-M734 HydrophobicContact CG-CG 4.27Å; L731-M734 PolarHBondContact N-O 3.36Å; L731-V736 HydrophobicContact CD1-CG2 4.26Å
732	D	94.4	Very high	95.6	Very high	57 Å²	57	42.8 Å²	42.8	31%	0.305	22%	0.216	S	C	.	.	S	Bend	trans	-67.4	-43.8	174.6	39.1	19.5	0	0	0	112.8	R706 K707 T818 L822	R706-D732 WeakPolarHBondContact CB-OD1 3.48Å; K707-D732 WeakPolarHBondContact CB-OD2 3.18Å; K707-D732 PolarHBondContact N-OD2 2.89Å; K707-D732 PolarHBondContact O-N 3.34Å; K707-D732 VanDerWaalsContact O-N 3.12Å; D732-T818 WeakPolarHBondContact O-CG2 3.2Å; D732-L822 WeakPolarHBondContact O-CD1 3.28Å
733	D	94	Very high	95.5	Very high	52 Å²	52	44 Å²	44	28%	0.278	23%	0.227	S	C	.	.	S	Bend	trans	-100.3	-22	-178.9	73.1	-20.2	0	0	0	115.1	R706 L770	R706-D733 VanDerWaalsContact CD-OD1 3.27Å; R706-D733 WeakPolarHBondContact CD-OD1 3.48Å; R706-D733 IonicContact CZ-OD1 3.63Å; R706-D733 IonicContact CZ-OD2 3.96Å; R706-D733 VanDerWaalsContact CZ-OD2 3.31Å; R706-D733 VanDerWaalsContact NE-CG 3.25Å; R706-D733 IonicContact NE-OD1 2.69Å; R706-D733 PolarHBondContact NE-OD1 3.29Å; R706-D733 IonicContact NE-OD2 2.69Å; R706-D733 PolarHBondContact NE-OD2 2.93Å; R706-D733 IonicContact NH2-OD1 2.85Å; R706-D733 IonicContact NH2-OD2 2.78Å; R706-D733 PolarHBondContact NH2-OD2 3.37Å; D733-L770 WeakPolarHBondContact O-CB 3.37Å; D733-L770 PolarHBondContact O-N 3.12Å
734	M	95.3	Very high	95.4	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.015	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	155.7	-170.2	71.1	178.9	57.3	0	0	115.5	Y698 I701 L731 V736 I767 I768	Y698-M734 HydrophobicContact CE1-CE 4.35Å; I701-M734 HydrophobicContact CD1-CE 4.07Å; I701-M734 HydrophobicContact CD1-SD 3.64Å; L731-M734 HydrophobicContact CB-CG 4.22Å; L731-M734 WeakPolarHBondContact CB-O 3.23Å; L731-M734 HydrophobicContact CD1-CG 3.86Å; L731-M734 HydrophobicContact CD1-SD 4.28Å; L731-M734 HydrophobicContact CG-CG 4.27Å; L731-M734 PolarHBondContact N-O 3.36Å; M734-V736 HydrophobicContact CG-CG2 3.88Å; M734-V736 HydrophobicContact SD-CG2 3.73Å; M734-I767 HydrophobicContact CB-CG2 4.29Å; M734-I767 HydrophobicContact CE-CG2 4.09Å; M734-I767 HydrophobicContact CG-CG2 4.45Å; M734-I767 HydrophobicContact SD-CG2 3.58Å; M734-I767 VanDerWaalsContact SD-CG2 3.58Å; M734-I768 CarbonylContact C-O 3.6Å; M734-I768 VanDerWaalsContact CA-O 3.25Å; M734-I768 WeakPolarHBondContact CA-O 3.4Å; M734-I768 WeakPolarHBondContact CB-O 3.17Å
735	L	97.5	Very high	95.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122	166.2	176.2	63.6	0	0	0	109.7	C728 L730 L737 I768 L770 V787 L800 W811 I815	C728-L735 HydrophobicContact CB-CD1 4.25Å; L730-L735 HydrophobicContact CB-CD1 4.3Å; L730-L735 HydrophobicContact CD1-CB 4.36Å; L730-L735 HydrophobicContact CD1-CD1 4.4Å; L735-L737 HydrophobicContact CD2-CD2 4.39Å; L735-L737 HydrophobicContact CG-CD2 4.15Å; L735-I768 HydrophobicContact CB-CB 4.4Å; L735-I768 HydrophobicContact CD2-CD1 4.36Å; L735-I768 PolarHBondContact N-O 2.88Å; L735-I768 PolarHBondContact O-N 3.19Å; L735-L770 HydrophobicContact CB-CD2 4.13Å; L735-V787 HydrophobicContact CD2-CG2 4.2Å; L735-L800 HydrophobicContact CD2-CD1 4.18Å; L735-W811 HydrophobicContact CD1-CZ3 4.1Å; L735-I815 HydrophobicContact CD2-CD1 4.06Å
736	V	97.5	Very high	95.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.3	-178.1	-173.5	0	0	0	0	110.5	L703 C728 L729 L731 M734 L747 P766 I767	L703-V736 HydrophobicContact CD2-CG2 4.33Å; C728-V736 CarbonylContact C-O 3.5Å; C728-V736 VanDerWaalsContact CA-O 3.29Å; C728-V736 WeakPolarHBondContact CA-O 3.4Å; L729-V736 HydrophobicContact CB-CB 4.32Å; L729-V736 PolarHBondContact N-O 2.98Å; L729-V736 PolarHBondContact O-N 2.98Å; L731-V736 HydrophobicContact CD1-CG2 4.26Å; M734-V736 HydrophobicContact CG-CG2 3.88Å; M734-V736 HydrophobicContact SD-CG2 3.73Å; V736-L747 HydrophobicContact CG1-CD1 4.34Å; V736-L747 HydrophobicContact CG1-CD2 3.58Å; V736-P766 CarbonylContact C-O 3.56Å; V736-I767 HydrophobicContact CG1-CG1 4.25Å; V736-I767 HydrophobicContact CG2-CG1 4.4Å
737	L	97.8	Very high	95.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	81.6	-176.6	-51.1	-177.5	0	0	0	110.7	W716 V726 C728 L735 P766 I768 Y798 L800	W716-L737 HydrophobicContact CD2-CD1 3.94Å; W716-L737 HydrophobicContact CE3-CB 4.36Å; W716-L737 HydrophobicContact CE3-CD1 3.95Å; W716-L737 HydrophobicContact CH2-CD1 4.13Å; W716-L737 HydrophobicContact CZ2-CD1 4.15Å; W716-L737 HydrophobicContact CZ3-CB 4.36Å; W716-L737 HydrophobicContact CZ3-CD1 4.03Å; V726-L737 HydrophobicContact CG1-CB 4.4Å; C728-L737 WeakPolarHBondContact SG-CD2 3.36Å; L735-L737 HydrophobicContact CD2-CD2 4.39Å; L735-L737 HydrophobicContact CG-CD2 4.15Å; L737-P766 PolarHBondContact N-O 3.45Å; L737-I768 HydrophobicContact CD1-CD1 4.12Å; L737-Y798 HydrophobicContact CD1-CD1 3.88Å; L737-Y798 HydrophobicContact CD1-CE1 4.17Å; L737-L800 HydrophobicContact CD1-CD2 4.46Å; L737-L800 HydrophobicContact CD2-CD1 4.29Å; L737-L800 HydrophobicContact CD2-CD2 4.32Å
738	A	97.1	Very high	95	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.008	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	131	-175.7	0	0	0	0	0	112.7	V726 H727 M745 L747	V726-A738 CarbonylContact C-O 3.59Å; V726-A738 WeakPolarHBondContact CA-O 3.33Å; H727-A738 PolarHBondContact N-O 3.34Å; H727-A738 PolarHBondContact O-N 2.92Å; A738-M745 HydrophobicContact CB-CB 4.23Å; A738-M745 HydrophobicContact CB-CE 3.96Å; A738-L747 HydrophobicContact CB-CD2 3.99Å
739	Q	96.3	Very high	94.7	Very high	25 Å²	25	43.1 Å²	43.1	12%	0.117	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	118.5	168.6	-85.3	140.6	92.2	0	0	109.6	I724 V726 Q741 L746	I724-Q739 HydrophobicContact CG2-CG 3.61Å; V726-Q739 HydrophobicContact CG1-CG 4.25Å; Q739-Q741 PolarHBondContact O-N 2.8Å; Q739-L746 HydrophobicContact CB-CB 4.28Å; Q739-L746 PolarHBondContact N-O 2.93Å; Q739-L746 WeakPolarHBondContact O-CB 3.47Å; Q739-L746 PolarHBondContact O-N 2.76Å
740	K	92.8	Very high	94.4	Very high	140 Å²	140	43.3 Å²	43.3	61%	0.609	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	107.4	177.3	-169.1	167.1	-172.1	163.7	0	110.3	K744 M745	K740-K744 WeakPolarHBondContact CA-O 3.22Å; K740-M745 HydrophobicContact CB-SD 4.48Å; K740-M745 HydrophobicContact CG-SD 4.34Å
741	Q	90.9	Very high	93.8	Very high	111 Å²	111	44.6 Å²	44.6	52%	0.519	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	110.3	-179.3	-176	174.9	-1.7	0	0	109.8	Q739 D743 K744	Q739-Q741 PolarHBondContact O-N 2.8Å; Q741-D743 PolarHBondContact O-N 3.34Å; Q741-D743 VanDerWaalsContact O-N 3.12Å; Q741-K744 PolarHBondContact N-O 3.09Å; Q741-K744 WeakPolarHBondContact O-CA 3.32Å; Q741-K744 WeakPolarHBondContact O-CB 3.28Å; Q741-K744 PolarHBondContact O-N 3.09Å
742	E	87.7	Confident	92.7	Very high	184 Å²	184	48 Å²	48	86%	0.86	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	-110.3	-173.3	-59.2	175.2	-169.7	0	0	111.3
743	D	89.5	Confident	91.5	Very high	101 Å²	101	48.1 Å²	48.1	54%	0.54	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	15.4	173.1	-159.5	40.2	0	0	0	113.2	K682 Q741	K682-D743 WeakPolarHBondContact CB-O 3.23Å; K682-D743 WeakPolarHBondContact CD-O 3.25Å; K682-D743 WeakPolarHBondContact CE-OD1 3.48Å; K682-D743 VanDerWaalsContact CE-OD2 3.3Å; K682-D743 WeakPolarHBondContact CE-OD2 3.32Å; K682-D743 WeakPolarHBondContact CG-O 3.49Å; K682-D743 VanDerWaalsContact NZ-CG 3.33Å; K682-D743 IonicContact NZ-OD1 3.14Å; K682-D743 PolarHBondContact NZ-OD1 2.89Å; K682-D743 IonicContact NZ-OD2 2.72Å; K682-D743 PolarHBondContact NZ-OD2 2.82Å; Q741-D743 PolarHBondContact O-N 3.34Å; Q741-D743 VanDerWaalsContact O-N 3.12Å
744	K	94.2	Very high	89.6	Confident	110 Å²	110	51.5 Å²	51.5	48%	0.478	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	152.9	179	-72	-178.9	162	-167.2	0	113.3	K682 D684 K740 Q741	K682-K744 CarbonylContact O-C 3.6Å; K682-K744 WeakPolarHBondContact O-CA 3.4Å; D684-K744 HydrophobicContact CB-CD 4.18Å; D684-K744 WeakPolarHBondContact OD2-CD 3.35Å; D684-K744 WeakPolarHBondContact OD2-CE 3.29Å; D684-K744 IonicContact OD2-NZ 3.75Å; D684-K744 PolarHBondContact OD2-NZ 2.92Å; K740-K744 WeakPolarHBondContact CA-O 3.22Å; Q741-K744 PolarHBondContact N-O 3.09Å; Q741-K744 WeakPolarHBondContact O-CA 3.32Å; Q741-K744 WeakPolarHBondContact O-CB 3.28Å; Q741-K744 PolarHBondContact O-N 3.09Å
745	M	95.3	Very high	87.5	Confident	6 Å²	6	57.8 Å²	57.8	3%	0.03	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	89.9	173	-60.1	-66.7	-84.6	0	0	108.2	Y679 K682 L683 D684 H727 A738 K740	Y679-M745 HydrophobicContact CD1-CE 4.03Å; Y679-M745 HydrophobicContact CD1-CG 4.32Å; Y679-M745 HydrophobicContact CE1-CE 4.18Å; Y679-M745 HydrophobicContact CG-CE 4.25Å; K682-M745 HydrophobicContact CB-CG 4.11Å; K682-M745 PolarHBondContact O-N 3.06Å; L683-M745 HydrophobicContact CD1-CB 4.33Å; D684-M745 PolarHBondContact N-O 2.89Å; H727-M745 HydrophobicContact CB-CE 4.03Å; A738-M745 HydrophobicContact CB-CB 4.23Å; A738-M745 HydrophobicContact CB-CE 3.96Å; K740-M745 HydrophobicContact CB-SD 4.48Å; K740-M745 HydrophobicContact CG-SD 4.34Å
746	L	95.6	Very high	84.9	Confident	17 Å²	17	63.5 Å²	63.5	9%	0.089	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	121.3	-173.7	177.5	67.9	0	0	0	111.7	D684 Q739 K748	D684-L746 HydrophobicContact CB-CD1 4.07Å; Q739-L746 HydrophobicContact CB-CB 4.28Å; Q739-L746 PolarHBondContact N-O 2.93Å; Q739-L746 WeakPolarHBondContact O-CB 3.47Å; Q739-L746 PolarHBondContact O-N 2.76Å; L746-K748 HydrophobicContact CD2-CB 4.23Å; L746-K748 HydrophobicContact CD2-CD 4.07Å; L746-K748 HydrophobicContact CG-CB 4.11Å
747	L	95.9	Very high	82.6	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	118.1	167.2	-56.4	-168.5	0	0	0	109.2	L683 D684 G687 L688 V736 A738 P766 I767	L683-L747 HydrophobicContact CD1-CD1 4.03Å; L683-L747 HydrophobicContact CD1-CD2 4.19Å; L683-L747 HydrophobicContact CD1-CG 3.88Å; L683-L747 HydrophobicContact CD2-CD1 4.5Å; L683-L747 HydrophobicContact CG-CD1 4.49Å; D684-L747 PolarHBondContact O-N 3.41Å; G687-L747 CarbonylContact C-O 3.59Å; G687-L747 VanDerWaalsContact C-O 3.22Å; G687-L747 WeakPolarHBondContact CA-O 3.42Å; G687-L747 PolarHBondContact N-O 3.2Å; L688-L747 HydrophobicContact CD2-CB 4.03Å; L688-L747 HydrophobicContact CG-CB 4.16Å; L688-L747 PolarHBondContact N-O 3.34Å; V736-L747 HydrophobicContact CG1-CD1 4.34Å; V736-L747 HydrophobicContact CG1-CD2 3.58Å; A738-L747 HydrophobicContact CB-CD2 3.99Å; L747-P766 HydrophobicContact CB-CB 4.44Å; L747-P766 HydrophobicContact CB-CG 3.94Å; L747-I767 HydrophobicContact CD1-CD1 3.9Å; L747-I767 HydrophobicContact CD1-CG1 4.26Å
748	K	93.9	Very high	80.1	Confident	90 Å²	90	75.7 Å²	75.7	39%	0.391	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	121.2	-173.7	176.3	176.5	178.4	177.5	0	112.7	G687 L746 Q750	G687-K748 WeakPolarHBondContact O-CA 3.42Å; L746-K748 HydrophobicContact CD2-CB 4.23Å; L746-K748 HydrophobicContact CD2-CD 4.07Å; L746-K748 HydrophobicContact CG-CB 4.11Å; K748-Q750 PolarHBondContact O-NE2 3.49Å
749	C	91.6	Very high	77.6	Confident	6 Å²	6	85.3 Å²	85.3	4%	0.041	44%	0.435	C	S	.	.			trans	-65.8	141.9	177.2	-54.9	0	0	0	0	111.1	G687 M763 L764	G687-C749 PolarHBondContact O-N 3.21Å; C749-M763 HydrophobicContact CB-CB 4.45Å; C749-M763 HydrophobicContact CB-CE 3.58Å; C749-M763 HydrophobicContact CB-SD 4.17Å; C749-L764 CarbonylContact C-O 3.56Å; C749-L764 VanDerWaalsContact CA-O 3.26Å; C749-L764 WeakPolarHBondContact CA-O 3.44Å
750	Q	91.4	Very high	75.5	Confident	7 Å²	7	88.1 Å²	88.1	3%	0.033	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.6	-174.6	-56.9	-65.4	-14.9	0	0	111.2	W716 V718 I724 K748 L764	W716-Q750 HydrophobicContact CE3-CG 4.19Å; W716-Q750 HydrophobicContact CH2-CB 3.96Å; W716-Q750 HydrophobicContact CH2-CG 3.49Å; W716-Q750 VanDerWaalsContact CH2-CG 3.49Å; W716-Q750 HydrophobicContact CZ2-CB 4.29Å; W716-Q750 HydrophobicContact CZ2-CG 4.19Å; W716-Q750 HydrophobicContact CZ3-CB 4.42Å; W716-Q750 HydrophobicContact CZ3-CG 3.48Å; W716-Q750 VanDerWaalsContact CZ3-CG 3.48Å; V718-Q750 HydrophobicContact CG1-CB 3.91Å; V718-Q750 HydrophobicContact CG2-CB 3.95Å; V718-Q750 HydrophobicContact CG2-CG 4.06Å; I724-Q750 HydrophobicContact CD1-CG 3.87Å; I724-Q750 VanDerWaalsContact CD1-NE2 3.29Å; K748-Q750 PolarHBondContact O-NE2 3.49Å; Q750-L764 PolarHBondContact N-O 2.87Å; Q750-L764 PolarHBondContact O-N 2.63Å
751	S	84.1	Confident	73.8	Confident	27 Å²	27	85.2 Å²	85.2	19%	0.189	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	139	171.7	-169.1	0	0	0	0	111.2	V718 S753	V718-S751 WeakPolarHBondContact CG1-O 3.18Å; S751-S753 VanDerWaalsContact C-N 3.29Å; S751-S753 PolarHBondContact OG-N 2.87Å
752	K	74.6	Confident	72.7	Confident	71 Å²	71	84.3 Å²	84.3	31%	0.309	45%	0.453	S	S	.	.	S	Bend	trans	-77.8	-8	168.9	-81.8	-177.4	165.6	169	0	113.9	T719 L764 I797	T719-K752 WeakPolarHBondContact CG2-O 3.44Å; K752-L764 HydrophobicContact CD-CD1 4.44Å; K752-L764 HydrophobicContact CD-CD2 4.19Å; K752-L764 HydrophobicContact CD-CG 4.42Å; K752-L764 HydrophobicContact CG-CD1 4.11Å; K752-L764 HydrophobicContact CG-CD2 4.49Å; K752-L764 HydrophobicContact CG-CG 4.19Å; K752-I797 PolarHBondContact NZ-O 2.85Å
753	S	68.6	Low	72.4	Confident	59 Å²	59	77.7 Å²	77.7	41%	0.413	42%	0.423	S	S	.	.			trans	-94.6	126.7	-177.8	-178.3	0	0	0	0	112.4	S751 M755	S751-S753 VanDerWaalsContact C-N 3.29Å; S751-S753 PolarHBondContact OG-N 2.87Å; S753-M755 VanDerWaalsContact C-N 3.26Å; S753-M755 PolarHBondContact O-N 2.86Å; S753-M755 PolarHBondContact OG-N 2.83Å
754	N	54.8	Low	72.4	Confident	124 Å²	124	72.9 Å²	72.9	66%	0.663	40%	0.397	S	S	*	.			trans	-70.8	-17.5	176.6	-45.4	62.8	0	0	0	113.2	E721	E721-N754 PolarHBondContact OE2-ND2 2.94Å; E721-N754 VanDerWaalsContact OE2-ND2 3.1Å
755	M	50.5	Low	72.3	Confident	135 Å²	135	67.9 Å²	67.9	67%	0.665	38%	0.376	S	S	*	.	S	Bend	trans	-98.8	146.2	-169.6	-122.3	-166.1	78	0	0	113.1	S753 K761	S753-M755 VanDerWaalsContact C-N 3.26Å; S753-M755 PolarHBondContact O-N 2.86Å; S753-M755 PolarHBondContact OG-N 2.83Å; M755-K761 PolarHBondContact O-NZ 3.12Å
756	T	44	Very low	72.2	Confident	120 Å²	120	67.6 Å²	67.6	74%	0.736	38%	0.375	S	S	*	.	S	Bend	trans	-72.3	141.7	172.9	41.2	0	0	0	0	112.6
757	A	48.5	Very low	72.2	Confident	85 Å²	85	67.1 Å²	67.1	70%	0.702	37%	0.372	S	S	*	.			trans	37.1	89.5	164.7	0	0	0	0	0	119.5
758	Q	44.5	Very low	72.1	Confident	170 Å²	170	67.2 Å²	67.2	79%	0.794	37%	0.373	S	S	*	.				-138.8	161.5	128.8	-75.7	-154.7	-59.4	0	0	108.2
759	E	44.8	Very low	72	Confident	203 Å²	203	66.7 Å²	66.7	95%	0.949	37%	0.371	S	S	*	.	S	Bend	trans	-79.1	160.1	-173.2	-66.4	166.4	137.3	0	0	111.8
760	G	51.7	Low	72.1	Confident	84 Å²	84	66.4 Å²	66.4	87%	0.866	37%	0.369	S	S	*	.			trans	87	17.9	-175.7	0	0	0	0	0	115.8	Q762	G760-Q762 PolarHBondContact O-N 3.32Å
761	K	58.7	Low	72	Confident	80 Å²	80	70 Å²	70	35%	0.348	39%	0.388	S	S	.	.			trans	-68.4	113	177.8	-72.5	-178.5	174.3	-166.8	0	112.5	M755 M763	M755-K761 PolarHBondContact O-NZ 3.12Å; K761-M763 PolarHBondContact O-N 3.1Å
762	Q	67.3	Low	72.1	Confident	91 Å²	91	70.8 Å²	70.8	43%	0.425	39%	0.393	S	S	.	.			trans	-57	112.3	166.9	-161.2	-169.7	41.6	0	0	109.7	G760 A795	G760-Q762 PolarHBondContact O-N 3.32Å; Q762-A795 PolarHBondContact NE2-O 3.45Å
763	M	81.9	Confident	73	Confident	45 Å²	45	67.4 Å²	67.4	22%	0.222	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	146.3	169.8	-60.7	-159.1	78.2	0	0	109.5	A690 C749 K761 Q796	A690-M763 HydrophobicContact CB-CE 3.82Å; A690-M763 HydrophobicContact CB-SD 3.9Å; C749-M763 HydrophobicContact CB-CB 4.45Å; C749-M763 HydrophobicContact CB-CE 3.58Å; C749-M763 HydrophobicContact CB-SD 4.17Å; K761-M763 PolarHBondContact O-N 3.1Å; M763-Q796 PolarHBondContact O-NE2 3.35Å
764	L	89.6	Confident	74.1	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.005	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	135.2	165.3	-57.2	178.1	0	0	0	109.2	W716 V718 C749 Q750 K752 Q796 Y798	W716-L764 HydrophobicContact CH2-CB 4.07Å; W716-L764 HydrophobicContact CZ2-CB 3.63Å; W716-L764 HydrophobicContact CZ2-CD1 3.55Å; W716-L764 HydrophobicContact CZ2-CG 4.25Å; V718-L764 HydrophobicContact CG1-CD1 4.25Å; C749-L764 CarbonylContact C-O 3.56Å; C749-L764 VanDerWaalsContact CA-O 3.26Å; C749-L764 WeakPolarHBondContact CA-O 3.44Å; Q750-L764 PolarHBondContact N-O 2.87Å; Q750-L764 PolarHBondContact O-N 2.63Å; K752-L764 HydrophobicContact CD-CD1 4.44Å; K752-L764 HydrophobicContact CD-CD2 4.19Å; K752-L764 HydrophobicContact CD-CG 4.42Å; K752-L764 HydrophobicContact CG-CD1 4.11Å; K752-L764 HydrophobicContact CG-CD2 4.49Å; K752-L764 HydrophobicContact CG-CG 4.19Å; L764-Q796 HydrophobicContact CD2-CB 4.13Å; L764-Q796 HydrophobicContact CD2-CG 3.84Å; L764-Y798 HydrophobicContact CB-CE1 3.8Å; L764-Y798 HydrophobicContact CD1-CD1 4.42Å; L764-Y798 HydrophobicContact CD1-CE1 4.34Å; L764-Y798 HydrophobicContact CD2-CE1 4.35Å; L764-Y798 HydrophobicContact CG-CE1 4.39Å
765	S	91.3	Very high	76.1	Confident	5 Å²	5	63.9 Å²	63.9	4%	0.035	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-74.9	146.9	172	-178.2	0	0	0	0	110	I767 Y798	S765-I767 WeakPolarHBondContact CB-O 3.25Å; S765-I767 PolarHBondContact OG-N 3.1Å; S765-I767 PolarHBondContact OG-O 3.32Å; S765-Y798 PolarHBondContact N-OH 2.9Å; S765-Y798 VanDerWaalsContact N-OH 3.08Å; S765-Y798 VanDerWaalsContact O-CE1 3.24Å; S765-Y798 WeakPolarHBondContact O-CE1 3.3Å; S765-Y798 PolarHBondContact O-OH 3.32Å
766	P	94	Very high	78.2	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.348	C	S	.	.	S	Bend	trans	-80.6	-0.6	164.8	36.2	-35.9	0	0	0	112.4	L688 V736 L737 L747	L688-P766 HydrophobicContact CD2-CG 3.37Å; V736-P766 CarbonylContact C-O 3.56Å; L737-P766 PolarHBondContact N-O 3.45Å; L747-P766 HydrophobicContact CB-CB 4.44Å; L747-P766 HydrophobicContact CB-CG 3.94Å
767	I	94.3	Very high	80.7	Confident	7 Å²	7	64.7 Å²	64.7	4%	0.036	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129.6	176.8	-62.9	165	0	0	0	108.5	Y698 I701 M734 V736 L747 S765	Y698-I767 HydrophobicContact CD1-CD1 3.55Å; Y698-I767 HydrophobicContact CD1-CG2 4.49Å; Y698-I767 HydrophobicContact CD2-CD1 3.81Å; Y698-I767 HydrophobicContact CE1-CD1 4.08Å; Y698-I767 HydrophobicContact CE1-CG2 3.94Å; Y698-I767 HydrophobicContact CE2-CB 4.48Å; Y698-I767 HydrophobicContact CE2-CD1 4.35Å; Y698-I767 HydrophobicContact CE2-CG2 4.5Å; Y698-I767 HydrophobicContact CG-CD1 3.39Å; I701-I767 HydrophobicContact CD1-CD1 3.99Å; M734-I767 HydrophobicContact CB-CG2 4.29Å; M734-I767 HydrophobicContact CE-CG2 4.09Å; M734-I767 HydrophobicContact CG-CG2 4.45Å; M734-I767 HydrophobicContact SD-CG2 3.58Å; M734-I767 VanDerWaalsContact SD-CG2 3.58Å; V736-I767 HydrophobicContact CG1-CG1 4.25Å; V736-I767 HydrophobicContact CG2-CG1 4.4Å; L747-I767 HydrophobicContact CD1-CD1 3.9Å; L747-I767 HydrophobicContact CD1-CG1 4.26Å; S765-I767 WeakPolarHBondContact CB-O 3.25Å; S765-I767 PolarHBondContact OG-N 3.1Å; S765-I767 PolarHBondContact OG-O 3.32Å
768	I	94.1	Very high	83	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	116	-176.8	-52.3	172.9	0	0	0	107.9	M734 L735 L737 V773 V787 F789 Y798	M734-I768 CarbonylContact C-O 3.6Å; M734-I768 VanDerWaalsContact CA-O 3.25Å; M734-I768 WeakPolarHBondContact CA-O 3.4Å; M734-I768 WeakPolarHBondContact CB-O 3.17Å; L735-I768 HydrophobicContact CB-CB 4.4Å; L735-I768 HydrophobicContact CD2-CD1 4.36Å; L735-I768 PolarHBondContact N-O 2.88Å; L735-I768 PolarHBondContact O-N 3.19Å; L737-I768 HydrophobicContact CD1-CD1 4.12Å; I768-V773 HydrophobicContact CG2-CG2 3.75Å; I768-V787 HydrophobicContact CD1-CG1 4.26Å; I768-V787 HydrophobicContact CG2-CG1 4.34Å; I768-F789 HydrophobicContact CG2-CB 3.9Å; I768-F789 HydrophobicContact CG2-CD2 4.38Å; I768-F789 HydrophobicContact CG2-CG 4.23Å; I768-Y798 HydrophobicContact CD1-CD1 3.82Å; I768-Y798 HydrophobicContact CD1-CD2 3.69Å; I768-Y798 HydrophobicContact CD1-CE1 3.91Å; I768-Y798 HydrophobicContact CD1-CE2 3.78Å; I768-Y798 HydrophobicContact CD1-CG 3.75Å; I768-Y798 HydrophobicContact CG1-CD2 4.38Å; I768-Y798 HydrophobicContact CG1-CE1 4.17Å; I768-Y798 HydrophobicContact CG1-CE2 3.95Å
769	K	92.3	Very high	85.3	Confident	79 Å²	79	58 Å²	58	34%	0.343	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	139.1	172	-59.2	-176.3	-174.8	179.2	0	109.6	E697 Y698 D771 V773 F789	E697-K769 WeakPolarHBondContact OE1-CE 3.44Å; E697-K769 IonicContact OE1-NZ 3.66Å; E697-K769 PolarHBondContact OE1-NZ 3.43Å; Y698-K769 WeakPolarHBondContact OH-CE 3.39Å; K769-D771 WeakPolarHBondContact CB-OD1 3.37Å; K769-V773 VanDerWaalsContact O-CG2 3.23Å; K769-V773 WeakPolarHBondContact O-CG2 3.43Å; K769-F789 HydrophobicContact CB-CE2 4.05Å; K769-F789 WeakPolarHBondContact O-CD2 3.29Å
770	L	94.2	Very high	87.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.306	C	S	.	.	S	Bend	trans	-89.4	-22.3	-170.6	-68	173.9	0	0	0	114.2	L730 D733 L735 S772 V773 I815 T818 V819 L822	L730-L770 HydrophobicContact CD1-CD1 3.62Å; L730-L770 HydrophobicContact CD1-CD2 4.21Å; D733-L770 WeakPolarHBondContact O-CB 3.37Å; D733-L770 PolarHBondContact O-N 3.12Å; L735-L770 HydrophobicContact CB-CD2 4.13Å; L770-S772 PolarHBondContact O-N 2.96Å; L770-V773 HydrophobicContact CD2-CG2 4.46Å; L770-V773 PolarHBondContact O-N 3.21Å; L770-V773 VanDerWaalsContact O-N 3.17Å; L770-I815 HydrophobicContact CD2-CG2 4.12Å; L770-T818 HydrophobicContact CD1-CG2 3.6Å; L770-V819 HydrophobicContact CB-CG2 4.03Å; L770-V819 HydrophobicContact CD2-CG2 4.09Å; L770-L822 HydrophobicContact CB-CD1 3.42Å; L770-L822 VanDerWaalsContact CB-CD1 3.42Å; L770-L822 HydrophobicContact CD1-CD1 4.33Å
771	D	88.6	Confident	89.8	Confident	81 Å²	81	52.6 Å²	52.6	43%	0.433	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-41.9	-48.7	174.9	63.9	-32.3	0	0	0	113.1	K769 K823	K769-D771 WeakPolarHBondContact CB-OD1 3.37Å; D771-K823 WeakPolarHBondContact O-CE 3.18Å
772	S	85.1	Confident	91.6	Very high	44 Å²	44	58.2 Å²	58.2	31%	0.308	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	26	-172.2	-56.9	0	0	0	0	112.8	L770 T790	L770-S772 PolarHBondContact O-N 2.96Å; S772-T790 WeakPolarHBondContact CB-O 3.1Å; S772-T790 PolarHBondContact O-N 2.97Å; S772-T790 VanDerWaalsContact O-N 3.12Å; S772-T790 PolarHBondContact O-OG1 2.99Å
773	V	94	Very high	93	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	147.2	177.5	163	0	0	0	0	112.9	I768 K769 L770 L775 V787 I788 F789 V819 K823	I768-V773 HydrophobicContact CG2-CG2 3.75Å; K769-V773 VanDerWaalsContact O-CG2 3.23Å; K769-V773 WeakPolarHBondContact O-CG2 3.43Å; L770-V773 HydrophobicContact CD2-CG2 4.46Å; L770-V773 PolarHBondContact O-N 3.21Å; L770-V773 VanDerWaalsContact O-N 3.17Å; V773-L775 HydrophobicContact CG1-CD2 3.88Å; V773-V787 HydrophobicContact CG1-CG1 3.83Å; V773-V787 HydrophobicContact CG2-CG1 4.16Å; V773-I788 CarbonylContact C-O 3.27Å; V773-I788 VanDerWaalsContact CA-O 3.31Å; V773-I788 WeakPolarHBondContact CA-O 3.42Å; V773-F789 HydrophobicContact CG2-CB 4.23Å; V773-F789 HydrophobicContact CG2-CD2 4.21Å; V773-V819 HydrophobicContact CB-CG2 4.09Å; V773-V819 HydrophobicContact CG1-CG2 4.03Å; V773-V819 WeakPolarHBondContact O-CG1 3.33Å; V773-K823 PolarHBondContact O-NZ 3.09Å
774	F	92.3	Very high	93.8	Very high	78 Å²	78	56 Å²	56	34%	0.342	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	152.3	159.6	55.4	-81.6	0	0	0	111.1	I788 T790	F774-I788 HydrophobicContact CD1-CB 4.34Å; F774-I788 HydrophobicContact CD2-CB 3.92Å; F774-I788 HydrophobicContact CD2-CD1 4.07Å; F774-I788 HydrophobicContact CD2-CG1 4.41Å; F774-I788 HydrophobicContact CD2-CG2 4.42Å; F774-I788 HydrophobicContact CE1-CB 4.09Å; F774-I788 HydrophobicContact CE1-CG2 3.78Å; F774-I788 HydrophobicContact CE2-CB 3.66Å; F774-I788 HydrophobicContact CE2-CD1 3.6Å; F774-I788 HydrophobicContact CE2-CG1 4.16Å; F774-I788 HydrophobicContact CE2-CG2 3.69Å; F774-I788 HydrophobicContact CG-CB 4.27Å; F774-I788 HydrophobicContact CZ-CB 3.76Å; F774-I788 HydrophobicContact CZ-CD1 4.35Å; F774-I788 HydrophobicContact CZ-CG2 3.32Å; F774-I788 PolarHBondContact N-O 3.33Å; F774-I788 PolarHBondContact O-N 3.48Å; F774-T790 HydrophobicContact CE1-CG2 3.79Å; F774-T790 HydrophobicContact CZ-CG2 4.34Å
775	L	95.9	Very high	94.2	Very high	30 Å²	30	56 Å²	56	16%	0.157	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	152.6	-175.6	-54.5	-175.4	0	0	0	112.2	V773 Y786 V787 H812 I815 K816	V773-L775 HydrophobicContact CG1-CD2 3.88Å; L775-Y786 WeakPolarHBondContact CA-O 3.35Å; L775-V787 HydrophobicContact CD2-CB 4.19Å; L775-V787 HydrophobicContact CD2-CG1 4.16Å; L775-V787 HydrophobicContact CD2-CG2 3.87Å; L775-H812 WeakPolarHBondContact CD1-O 3.41Å; L775-I815 HydrophobicContact CD1-CB 3.95Å; L775-I815 HydrophobicContact CD1-CG2 3.95Å; L775-I815 HydrophobicContact CD2-CG2 4.01Å; L775-I815 HydrophobicContact CG-CG2 4.4Å; L775-K816 HydrophobicContact CD1-CB 4.06Å
776	R	96	Very high	94.5	Very high	158 Å²	158	59.2 Å²	59.2	60%	0.596	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.5	136.1	168.6	-64.3	-172.3	176.6	-168.2	-1.6	111.4	F785 Y786 I788	R776-F785 CarbonylContact O-C 3.53Å; R776-F785 WeakPolarHBondContact O-CA 3.19Å; R776-Y786 HydrophobicContact CB-CD2 4.41Å; R776-Y786 PolarHBondContact N-O 3.28Å; R776-Y786 VanDerWaalsContact N-O 3.1Å; R776-Y786 PolarHBondContact O-N 2.83Å; R776-I788 HydrophobicContact CG-CD1 4.47Å
777	E	96.1	Very high	94.6	Very high	115 Å²	115	59.2 Å²	59.2	54%	0.537	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	147.1	168.5	-64.8	-170	173.1	0	0	111.6	A779 M808	E777-A779 PolarHBondContact O-N 2.95Å; E777-M808 HydrophobicContact CG-CE 4.35Å
778	V	96	Very high	94.6	Very high	5 Å²	5	59.5 Å²	59.5	3%	0.03	30%	0.295	C	S	.	.			trans	-89.7	104.9	175.8	179.8	0	0	0	0	110	T780 D781 A784 Y786	V778-T780 WeakPolarHBondContact CG1-OG1 3.28Å; V778-T780 PolarHBondContact O-N 3.43Å; V778-D781 HydrophobicContact CG1-CB 4.17Å; V778-D781 CarbonylContact O-C 3.59Å; V778-D781 VanDerWaalsContact O-C 3.27Å; V778-D781 PolarHBondContact O-N 3.12Å; V778-D781 VanDerWaalsContact O-O 3.06Å; V778-A784 HydrophobicContact CB-CB 3.83Å; V778-A784 WeakPolarHBondContact CB-O 3.44Å; V778-A784 HydrophobicContact CG1-CB 4.33Å; V778-A784 HydrophobicContact CG2-CB 3.7Å; V778-A784 WeakPolarHBondContact CG2-O 3.16Å; V778-A784 PolarHBondContact N-O 3.48Å; V778-Y786 HydrophobicContact CG2-CD1 4.36Å; V778-Y786 HydrophobicContact CG2-CD2 3.85Å; V778-Y786 HydrophobicContact CG2-CE1 4.19Å; V778-Y786 HydrophobicContact CG2-CE2 3.67Å; V778-Y786 HydrophobicContact CG2-CG 4.2Å
779	A	93.9	Very high	94.5	Very high	108 Å²	108	61 Å²	61	89%	0.893	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-26.9	-177.9	0	0	0	0	0	114.8	E777	E777-A779 PolarHBondContact O-N 2.95Å
780	T	94.9	Very high	94.2	Very high	136 Å²	136	59.7 Å²	59.7	83%	0.834	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-14.6	177.9	48.1	0	0	0	0	114.6	V778	V778-T780 WeakPolarHBondContact CG1-OG1 3.28Å; V778-T780 PolarHBondContact O-N 3.43Å
781	D	95.8	Very high	93.5	Very high	39 Å²	39	64.3 Å²	64.3	21%	0.209	32%	0.317	C	S	.	.			trans	-149.5	101.2	-177.2	-177	-6.7	0	0	0	110.1	R717 V778 K783 A784	R717-D781 IonicContact CZ-OD2 2.7Å; R717-D781 VanDerWaalsContact CZ-OD2 3.27Å; R717-D781 IonicContact NH1-OD2 3.23Å; R717-D781 PolarHBondContact NH1-OD2 2.9Å; R717-D781 IonicContact NH2-OD2 3.56Å; R717-D781 PolarHBondContact NH2-OD2 2.95Å; V778-D781 HydrophobicContact CG1-CB 4.17Å; V778-D781 CarbonylContact O-C 3.59Å; V778-D781 VanDerWaalsContact O-C 3.27Å; V778-D781 PolarHBondContact O-N 3.12Å; V778-D781 VanDerWaalsContact O-O 3.06Å; D781-K783 PolarHBondContact O-N 3.1Å; D781-K783 PolarHBondContact OD1-N 2.79Å; D781-A784 HydrophobicContact CB-CB 4.01Å; D781-A784 PolarHBondContact O-N 2.89Å
782	R	96.2	Very high	92.8	Very high	198 Å²	198	68.7 Å²	68.7	75%	0.747	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-0.6	-176.9	-61.7	-175.4	-178.7	-175.1	-1	114.6	V805 M808	R782-V805 HydrophobicContact CB-CG2 4.21Å; R782-M808 WeakPolarHBondContact O-CE 3.27Å
783	K	97.6	Very high	92	Very high	89 Å²	89	71.8 Å²	71.8	39%	0.387	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-6.7	169.5	-60.8	-171.6	-178	-170.3	0	113.1	D781 V801 A802 Q803 V805 M808	D781-K783 PolarHBondContact O-N 3.1Å; D781-K783 PolarHBondContact OD1-N 2.79Å; K783-V801 HydrophobicContact CB-CG1 3.88Å; K783-V801 WeakPolarHBondContact O-CA 3.43Å; K783-A802 PolarHBondContact O-N 2.87Å; K783-Q803 WeakPolarHBondContact CE-O 3.49Å; K783-Q803 PolarHBondContact NZ-O 3.41Å; K783-V805 HydrophobicContact CG-CG2 4.11Å; K783-M808 WeakPolarHBondContact O-CG 3.35Å
784	A	97.6	Very high	91.3	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	147.4	-174.4	0	0	0	0	0	112.5	V778 D781 L800 V801	V778-A784 HydrophobicContact CB-CB 3.83Å; V778-A784 WeakPolarHBondContact CB-O 3.44Å; V778-A784 HydrophobicContact CG1-CB 4.33Å; V778-A784 HydrophobicContact CG2-CB 3.7Å; V778-A784 WeakPolarHBondContact CG2-O 3.16Å; V778-A784 PolarHBondContact N-O 3.48Å; D781-A784 HydrophobicContact CB-CB 4.01Å; D781-A784 PolarHBondContact O-N 2.89Å; A784-L800 CarbonylContact C-O 3.44Å; A784-L800 VanDerWaalsContact CA-O 3.23Å; A784-L800 WeakPolarHBondContact CA-O 3.45Å; A784-V801 HydrophobicContact CB-CB 4.36Å; A784-V801 HydrophobicContact CB-CG1 4.14Å; A784-V801 HydrophobicContact CB-CG2 3.91Å
785	F	97.9	Very high	91	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	148.8	174.3	65.7	-74	0	0	0	109.8	L714 R776 V787 L800 M808 W811 I815	L714-F785 HydrophobicContact CD1-CE1 4.14Å; L714-F785 HydrophobicContact CD1-CZ 3.97Å; R776-F785 CarbonylContact O-C 3.53Å; R776-F785 WeakPolarHBondContact O-CA 3.19Å; F785-V787 HydrophobicContact CD2-CG2 3.93Å; F785-V787 HydrophobicContact CE2-CG2 3.54Å; F785-L800 HydrophobicContact CD1-CB 4.26Å; F785-L800 WeakPolarHBondContact CD1-O 3.3Å; F785-L800 HydrophobicContact CE1-CB 3.78Å; F785-L800 HydrophobicContact CE2-CB 4.36Å; F785-L800 HydrophobicContact CE2-CD1 4.17Å; F785-L800 HydrophobicContact CZ-CB 3.84Å; F785-L800 HydrophobicContact CZ-CD1 3.94Å; F785-L800 PolarHBondContact N-O 2.67Å; F785-L800 PolarHBondContact O-N 2.83Å; F785-M808 HydrophobicContact CB-CG 4.48Å; F785-M808 HydrophobicContact CB-SD 4.23Å; F785-M808 HydrophobicContact CD1-CG 3.92Å; F785-W811 HydrophobicContact CE1-CB 4.02Å; F785-W811 HydrophobicContact CZ-CB 3.81Å; F785-W811 HydrophobicContact CZ-CG 4.41Å; F785-I815 HydrophobicContact CE2-CD1 3.79Å; F785-I815 HydrophobicContact CZ-CD1 4.14Å
786	Y	97.6	Very high	90.6	Very high	73 Å²	73	71.2 Å²	71.2	29%	0.286	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	125.3	170	-63.1	-62.2	0	0	0	109.7	L775 R776 V778 I797 Y798 E799	L775-Y786 WeakPolarHBondContact CA-O 3.35Å; R776-Y786 HydrophobicContact CB-CD2 4.41Å; R776-Y786 PolarHBondContact N-O 3.28Å; R776-Y786 VanDerWaalsContact N-O 3.1Å; R776-Y786 PolarHBondContact O-N 2.83Å; V778-Y786 HydrophobicContact CG2-CD1 4.36Å; V778-Y786 HydrophobicContact CG2-CD2 3.85Å; V778-Y786 HydrophobicContact CG2-CE1 4.19Å; V778-Y786 HydrophobicContact CG2-CE2 3.67Å; V778-Y786 HydrophobicContact CG2-CG 4.2Å; Y786-I797 HydrophobicContact CD1-CG2 3.51Å; Y786-I797 HydrophobicContact CE1-CG2 4.09Å; Y786-I797 HydrophobicContact CG-CG2 4.07Å; Y786-Y798 CarbonylContact C-O 3.47Å; Y786-Y798 VanDerWaalsContact CA-O 3.28Å; Y786-Y798 WeakPolarHBondContact CA-O 3.49Å; Y786-E799 HydrophobicContact CD1-CB 3.92Å; Y786-E799 HydrophobicContact CD1-CG 4.19Å; Y786-E799 HydrophobicContact CE1-CB 3.81Å; Y786-E799 HydrophobicContact CE1-CG 3.84Å
787	V	96.9	Very high	90.5	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	123.4	157.9	-176.2	0	0	0	0	106.5	L735 I768 V773 L775 F785 Y798 L800	L735-V787 HydrophobicContact CD2-CG2 4.2Å; I768-V787 HydrophobicContact CD1-CG1 4.26Å; I768-V787 HydrophobicContact CG2-CG1 4.34Å; V773-V787 HydrophobicContact CG1-CG1 3.83Å; V773-V787 HydrophobicContact CG2-CG1 4.16Å; L775-V787 HydrophobicContact CD2-CB 4.19Å; L775-V787 HydrophobicContact CD2-CG1 4.16Å; L775-V787 HydrophobicContact CD2-CG2 3.87Å; F785-V787 HydrophobicContact CD2-CG2 3.93Å; F785-V787 HydrophobicContact CE2-CG2 3.54Å; V787-Y798 PolarHBondContact N-O 2.91Å; V787-Y798 PolarHBondContact O-N 2.56Å; V787-L800 HydrophobicContact CG2-CD1 3.75Å; V787-L800 HydrophobicContact CG2-CG 4.44Å
788	I	94.6	Very high	90.5	Very high	13 Å²	13	62 Å²	62	7%	0.067	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	115.7	-177	-48.4	178.5	0	0	0	108.3	V773 F774 R776 Q796 I797	V773-I788 CarbonylContact C-O 3.27Å; V773-I788 VanDerWaalsContact CA-O 3.31Å; V773-I788 WeakPolarHBondContact CA-O 3.42Å; F774-I788 HydrophobicContact CD1-CB 4.34Å; F774-I788 HydrophobicContact CD2-CB 3.92Å; F774-I788 HydrophobicContact CD2-CD1 4.07Å; F774-I788 HydrophobicContact CD2-CG1 4.41Å; F774-I788 HydrophobicContact CD2-CG2 4.42Å; F774-I788 HydrophobicContact CE1-CB 4.09Å; F774-I788 HydrophobicContact CE1-CG2 3.78Å; F774-I788 HydrophobicContact CE2-CB 3.66Å; F774-I788 HydrophobicContact CE2-CD1 3.6Å; F774-I788 HydrophobicContact CE2-CG1 4.16Å; F774-I788 HydrophobicContact CE2-CG2 3.69Å; F774-I788 HydrophobicContact CG-CB 4.27Å; F774-I788 HydrophobicContact CZ-CB 3.76Å; F774-I788 HydrophobicContact CZ-CD1 4.35Å; F774-I788 HydrophobicContact CZ-CG2 3.32Å; F774-I788 PolarHBondContact N-O 3.33Å; F774-I788 PolarHBondContact O-N 3.48Å; R776-I788 HydrophobicContact CG-CD1 4.47Å; I788-Q796 WeakPolarHBondContact CA-O 3.18Å; I788-I797 HydrophobicContact CD1-CG1 4.25Å; I788-I797 HydrophobicContact CG1-CG1 4.08Å; I788-I797 HydrophobicContact CG1-CG2 4.3Å; I788-I797 HydrophobicContact CG2-CG1 3.85Å
789	F	90.5	Very high	90.5	Very high	33 Å²	33	63.9 Å²	63.9	15%	0.145	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	131.3	177.4	173.7	-110.1	0	0	0	109.3	I768 K769 V773 W791 A795 Q796	I768-F789 HydrophobicContact CG2-CB 3.9Å; I768-F789 HydrophobicContact CG2-CD2 4.38Å; I768-F789 HydrophobicContact CG2-CG 4.23Å; K769-F789 HydrophobicContact CB-CE2 4.05Å; K769-F789 WeakPolarHBondContact O-CD2 3.29Å; V773-F789 HydrophobicContact CG2-CB 4.23Å; V773-F789 HydrophobicContact CG2-CD2 4.21Å; F789-W791 AromaticContact CD1-CE3 3.63Å; F789-W791 HydrophobicContact CD1-CE3 3.63Å; F789-W791 AromaticContact CD1-CZ3 3.84Å; F789-W791 HydrophobicContact CD1-CZ3 3.84Å; F789-W791 HydrophobicContact CE1-CD2 4.33Å; F789-W791 AromaticContact CE1-CE3 3.53Å; F789-W791 HydrophobicContact CE1-CE3 3.53Å; F789-W791 HydrophobicContact CE1-CZ3 4.05Å; F789-A795 CarbonylContact O-C 3.54Å; F789-A795 WeakPolarHBondContact O-CA 3.34Å; F789-Q796 PolarHBondContact N-O 2.87Å; F789-Q796 PolarHBondContact O-N 3.47Å
790	T	86.1	Confident	90.7	Very high	53 Å²	53	58.8 Å²	58.8	33%	0.325	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	146.7	178.5	29.4	0	0	0	0	111.4	S772 F774 G794 A795	S772-T790 WeakPolarHBondContact CB-O 3.1Å; S772-T790 PolarHBondContact O-N 2.97Å; S772-T790 VanDerWaalsContact O-N 3.12Å; S772-T790 PolarHBondContact O-OG1 2.99Å; F774-T790 HydrophobicContact CE1-CG2 3.79Å; F774-T790 HydrophobicContact CZ-CG2 4.34Å; T790-G794 WeakPolarHBondContact CA-O 3.37Å; T790-A795 HydrophobicContact CG2-CB 3.72Å
791	W	80.3	Confident	90.9	Very high	96 Å²	96	52.8 Å²	52.8	36%	0.364	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	173.9	168.9	69.8	98.1	0	0	0	108.9	F789 S793 G794 Q796	F789-W791 AromaticContact CD1-CE3 3.63Å; F789-W791 HydrophobicContact CD1-CE3 3.63Å; F789-W791 AromaticContact CD1-CZ3 3.84Å; F789-W791 HydrophobicContact CD1-CZ3 3.84Å; F789-W791 HydrophobicContact CE1-CD2 4.33Å; F789-W791 AromaticContact CE1-CE3 3.53Å; F789-W791 HydrophobicContact CE1-CE3 3.53Å; F789-W791 HydrophobicContact CE1-CZ3 4.05Å; W791-S793 PolarHBondContact O-N 3.36Å; W791-G794 PolarHBondContact N-O 3.29Å; W791-G794 PolarHBondContact O-N 2.91Å; W791-Q796 HydrophobicContact CH2-CG 3.65Å; W791-Q796 HydrophobicContact CZ3-CB 4.07Å; W791-Q796 HydrophobicContact CZ3-CG 3.61Å
792	D	72.6	Confident	91	Very high	173 Å²	173	51.2 Å²	51.2	93%	0.925	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.4	-168.2	-52.1	-66.1	0	0	0	114.8
793	S	69.5	Low	91	Very high	109 Å²	109	48.1 Å²	48.1	76%	0.762	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	2.2	179	-29.3	0	0	0	0	114.5	W791	W791-S793 PolarHBondContact O-N 3.36Å
794	G	79.3	Confident	91	Very high	32 Å²	32	46.1 Å²	46.1	33%	0.33	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	155.4	-158.8	174.7	0	0	0	0	0	116.8	T790 W791	T790-G794 WeakPolarHBondContact CA-O 3.37Å; W791-G794 PolarHBondContact N-O 3.29Å; W791-G794 PolarHBondContact O-N 2.91Å
795	A	85.3	Confident	91	Very high	46 Å²	46	49.1 Å²	49.1	38%	0.38	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	143.8	-177.5	0	0	0	0	0	112.6	Q762 F789 T790	Q762-A795 PolarHBondContact NE2-O 3.45Å; F789-A795 CarbonylContact O-C 3.54Å; F789-A795 WeakPolarHBondContact O-CA 3.34Å; T790-A795 HydrophobicContact CG2-CB 3.72Å
796	Q	88.9	Confident	91	Very high	20 Å²	20	52.4 Å²	52.4	9%	0.093	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.8	167	-79.2	167.7	-1.9	0	0	110.4	M763 L764 I788 F789 W791 Y798	M763-Q796 PolarHBondContact O-NE2 3.35Å; L764-Q796 HydrophobicContact CD2-CB 4.13Å; L764-Q796 HydrophobicContact CD2-CG 3.84Å; I788-Q796 WeakPolarHBondContact CA-O 3.18Å; F789-Q796 PolarHBondContact N-O 2.87Å; F789-Q796 PolarHBondContact O-N 3.47Å; W791-Q796 HydrophobicContact CH2-CG 3.65Å; W791-Q796 HydrophobicContact CZ3-CB 4.07Å; W791-Q796 HydrophobicContact CZ3-CG 3.61Å; Q796-Y798 HydrophobicContact CB-CD2 4.28Å; Q796-Y798 HydrophobicContact CB-CE2 3.54Å; Q796-Y798 HydrophobicContact CG-CE2 4.49Å; Q796-Y798 PolarHBondContact OE1-OH 2.84Å
797	I	92.9	Very high	91	Very high	79 Å²	79	51 Å²	51	41%	0.405	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127.3	169.1	-58.9	166.4	0	0	0	109	K752 Y786 I788	K752-I797 PolarHBondContact NZ-O 2.85Å; Y786-I797 HydrophobicContact CD1-CG2 3.51Å; Y786-I797 HydrophobicContact CE1-CG2 4.09Å; Y786-I797 HydrophobicContact CG-CG2 4.07Å; I788-I797 HydrophobicContact CD1-CG1 4.25Å; I788-I797 HydrophobicContact CG1-CG1 4.08Å; I788-I797 HydrophobicContact CG1-CG2 4.3Å; I788-I797 HydrophobicContact CG2-CG1 3.85Å
798	Y	95.9	Very high	91	Very high	1 Å²	1	51.2 Å²	51.2	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124.1	172.6	-63.1	-101.1	0	0	0	108.9	W716 L737 L764 S765 I768 Y786 V787 Q796	W716-Y798 AromaticContact CE2-CD1 3.74Å; W716-Y798 HydrophobicContact CH2-CE1 4.19Å; W716-Y798 AromaticContact CZ2-CD1 3.56Å; W716-Y798 HydrophobicContact CZ2-CD1 3.56Å; W716-Y798 AromaticContact CZ2-CE1 3.52Å; W716-Y798 HydrophobicContact CZ2-CE1 3.52Å; W716-Y798 AromaticContact NE1-CD1 3.65Å; L737-Y798 HydrophobicContact CD1-CD1 3.88Å; L737-Y798 HydrophobicContact CD1-CE1 4.17Å; L764-Y798 HydrophobicContact CB-CE1 3.8Å; L764-Y798 HydrophobicContact CD1-CD1 4.42Å; L764-Y798 HydrophobicContact CD1-CE1 4.34Å; L764-Y798 HydrophobicContact CD2-CE1 4.35Å; L764-Y798 HydrophobicContact CG-CE1 4.39Å; S765-Y798 PolarHBondContact N-OH 2.9Å; S765-Y798 VanDerWaalsContact N-OH 3.08Å; S765-Y798 VanDerWaalsContact O-CE1 3.24Å; S765-Y798 WeakPolarHBondContact O-CE1 3.3Å; S765-Y798 PolarHBondContact O-OH 3.32Å; I768-Y798 HydrophobicContact CD1-CD1 3.82Å; I768-Y798 HydrophobicContact CD1-CD2 3.69Å; I768-Y798 HydrophobicContact CD1-CE1 3.91Å; I768-Y798 HydrophobicContact CD1-CE2 3.78Å; I768-Y798 HydrophobicContact CD1-CG 3.75Å; I768-Y798 HydrophobicContact CG1-CD2 4.38Å; I768-Y798 HydrophobicContact CG1-CE1 4.17Å; I768-Y798 HydrophobicContact CG1-CE2 3.95Å; Y786-Y798 CarbonylContact C-O 3.47Å; Y786-Y798 VanDerWaalsContact CA-O 3.28Å; Y786-Y798 WeakPolarHBondContact CA-O 3.49Å; V787-Y798 PolarHBondContact N-O 2.91Å; V787-Y798 PolarHBondContact O-N 2.56Å; Q796-Y798 HydrophobicContact CB-CD2 4.28Å; Q796-Y798 HydrophobicContact CB-CE2 3.54Å; Q796-Y798 HydrophobicContact CG-CE2 4.49Å; Q796-Y798 PolarHBondContact OE1-OH 2.84Å
799	E	96.8	Very high	91.1	Very high	44 Å²	44	55.8 Å²	55.8	21%	0.206	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	113.4	173.2	-173.7	-175.1	166.2	0	0	109.1	R717 Y786	R717-E799 HydrophobicContact CB-CB 4.03Å; R717-E799 HydrophobicContact CB-CG 4.14Å; R717-E799 WeakPolarHBondContact CD-OE1 3.23Å; R717-E799 IonicContact CZ-OE1 2.74Å; R717-E799 PolarHBondContact N-O 2.89Å; R717-E799 IonicContact NE-OE1 3.87Å; R717-E799 IonicContact NH1-OE1 2.71Å; R717-E799 PolarHBondContact NH1-OE1 3.36Å; Y786-E799 HydrophobicContact CD1-CB 3.92Å; Y786-E799 HydrophobicContact CD1-CG 4.19Å; Y786-E799 HydrophobicContact CE1-CB 3.81Å; Y786-E799 HydrophobicContact CE1-CG 3.84Å
800	L	98.2	Very high	91.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	140.2	-179.7	-59.5	-177.1	0	0	0	110	L714 W716 L735 L737 A784 F785 V787	L714-L800 HydrophobicContact CD1-CB 4.2Å; L714-L800 HydrophobicContact CD1-CD1 4.07Å; W716-L800 HydrophobicContact CB-CD2 3.92Å; W716-L800 HydrophobicContact CG-CD2 4.05Å; L735-L800 HydrophobicContact CD2-CD1 4.18Å; L737-L800 HydrophobicContact CD1-CD2 4.46Å; L737-L800 HydrophobicContact CD2-CD1 4.29Å; L737-L800 HydrophobicContact CD2-CD2 4.32Å; A784-L800 CarbonylContact C-O 3.44Å; A784-L800 VanDerWaalsContact CA-O 3.23Å; A784-L800 WeakPolarHBondContact CA-O 3.45Å; F785-L800 HydrophobicContact CD1-CB 4.26Å; F785-L800 WeakPolarHBondContact CD1-O 3.3Å; F785-L800 HydrophobicContact CE1-CB 3.78Å; F785-L800 HydrophobicContact CE2-CB 4.36Å; F785-L800 HydrophobicContact CE2-CD1 4.17Å; F785-L800 HydrophobicContact CZ-CB 3.84Å; F785-L800 HydrophobicContact CZ-CD1 3.94Å; F785-L800 PolarHBondContact N-O 2.67Å; F785-L800 PolarHBondContact O-N 2.83Å; V787-L800 HydrophobicContact CG2-CD1 3.75Å; V787-L800 HydrophobicContact CG2-CG 4.44Å
801	V	98.1	Very high	92	Very high	11 Å²	11	54.6 Å²	54.6	7%	0.067	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	126.6	-174.7	-161.8	0	0	0	0	110.7	V715 R717 K783 A784	V715-V801 HydrophobicContact CB-CB 4.24Å; V715-V801 PolarHBondContact N-O 2.89Å; V715-V801 PolarHBondContact O-N 2.87Å; R717-V801 HydrophobicContact CG-CG2 4.18Å; R717-V801 VanDerWaalsContact CZ-CG2 3.48Å; K783-V801 HydrophobicContact CB-CG1 3.88Å; K783-V801 WeakPolarHBondContact O-CA 3.43Å; A784-V801 HydrophobicContact CB-CB 4.36Å; A784-V801 HydrophobicContact CB-CG1 4.14Å; A784-V801 HydrophobicContact CB-CG2 3.91Å
802	A	98.1	Very high	92.8	Very high	6 Å²	6	51.4 Å²	51.4	5%	0.05	30%	0.302	C	S	.	.			trans	-88	165.5	175.6	0	0	0	0	0	112.4	L714 K783 S804 E807 M808	L714-A802 HydrophobicContact CD2-CB 3.79Å; K783-A802 PolarHBondContact O-N 2.87Å; A802-S804 VanDerWaalsContact C-N 3.29Å; A802-S804 WeakPolarHBondContact CB-O 3.42Å; A802-E807 HydrophobicContact CB-CB 4.04Å; A802-E807 HydrophobicContact CB-CG 3.89Å; A802-M808 HydrophobicContact CB-CB 3.94Å
803	Q	96.8	Very high	94	Very high	132 Å²	132	47.3 Å²	47.3	62%	0.617	28%	0.28	S	S	*	.	S	Bend	trans	-71.2	-29	175	-47.2	-173.3	26.6	0	0	111.3	P713 K783 E807	P713-Q803 VanDerWaalsContact CG-NE2 3.28Å; K783-Q803 WeakPolarHBondContact CE-O 3.49Å; K783-Q803 PolarHBondContact NZ-O 3.41Å; Q803-E807 WeakPolarHBondContact CA-OE2 3.3Å; Q803-E807 WeakPolarHBondContact CB-OE2 3.41Å; Q803-E807 WeakPolarHBondContact CG-OE2 3.14Å; Q803-E807 PolarHBondContact N-OE2 2.91Å
804	S	97.8	Very high	95.3	Very high	47 Å²	47	44.5 Å²	44.5	33%	0.329	26%	0.256	S	S	.	.	S	Bend	trans	-135.5	162.5	178.8	75.8	0	0	0	0	113.5	A802 A806 E807 M808	A802-S804 VanDerWaalsContact C-N 3.29Å; A802-S804 WeakPolarHBondContact CB-O 3.42Å; S804-A806 VanDerWaalsContact C-N 3.31Å; S804-E807 PolarHBondContact N-OE2 3.45Å; S804-E807 WeakPolarHBondContact OG-CB 3.43Å; S804-E807 PolarHBondContact OG-N 2.85Å; S804-E807 VanDerWaalsContact OG-N 3.07Å; S804-M808 PolarHBondContact O-N 3.24Å
805	V	97.8	Very high	96.2	Very high	64 Å²	64	43 Å²	43	39%	0.388	24%	0.24	S	C	.	.	H	α-helix	trans	-68.5	-32	175.3	-177.2	0	0	0	0	111.4	R782 K783 K809	R782-V805 HydrophobicContact CB-CG2 4.21Å; K783-V805 HydrophobicContact CG-CG2 4.11Å; V805-K809 PolarHBondContact O-N 3.48Å; V805-K809 VanDerWaalsContact O-N 3.13Å
806	A	97.7	Very high	96.6	Very high	69 Å²	69	45.7 Å²	45.7	57%	0.57	24%	0.243	S	C	*	.	H	α-helix	trans	-66.4	-48.5	175.6	0	0	0	0	0	110.9	S804 M808 K809 T810	S804-A806 VanDerWaalsContact C-N 3.31Å; A806-M808 VanDerWaalsContact C-N 3.33Å; A806-M808 PolarHBondContact O-N 2.9Å; A806-K809 WeakPolarHBondContact O-CB 3.4Å; A806-K809 PolarHBondContact O-N 2.9Å; A806-K809 VanDerWaalsContact O-N 3.15Å; A806-T810 PolarHBondContact O-N 3.39Å; A806-T810 PolarHBondContact O-OG1 3.17Å; A806-T810 VanDerWaalsContact O-OG1 3.1Å
807	E	97.1	Very high	96.9	Very high	44 Å²	44	48.1 Å²	48.1	21%	0.206	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-38.2	175.6	-177.1	-176.8	-143.7	0	0	112.2	A802 Q803 S804 K809 T810 W811	A802-E807 HydrophobicContact CB-CB 4.04Å; A802-E807 HydrophobicContact CB-CG 3.89Å; Q803-E807 WeakPolarHBondContact CA-OE2 3.3Å; Q803-E807 WeakPolarHBondContact CB-OE2 3.41Å; Q803-E807 WeakPolarHBondContact CG-OE2 3.14Å; Q803-E807 PolarHBondContact N-OE2 2.91Å; S804-E807 PolarHBondContact N-OE2 3.45Å; S804-E807 WeakPolarHBondContact OG-CB 3.43Å; S804-E807 PolarHBondContact OG-N 2.85Å; S804-E807 VanDerWaalsContact OG-N 3.07Å; E807-K809 VanDerWaalsContact C-N 3.35Å; E807-K809 PolarHBondContact O-N 3.24Å; E807-T810 PolarHBondContact O-N 2.78Å; E807-W811 VanDerWaalsContact O-CD1 3.28Å; E807-W811 PolarHBondContact O-N 3.32Å
808	M	96.9	Very high	97	Very high	3 Å²	3	45 Å²	45	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-56.4	-48.6	171.8	-174.7	-79.9	-74.9	0	0	111.2	E777 R782 K783 F785 A802 S804 A806 W811 H812	E777-M808 HydrophobicContact CG-CE 4.35Å; R782-M808 WeakPolarHBondContact O-CE 3.27Å; K783-M808 WeakPolarHBondContact O-CG 3.35Å; F785-M808 HydrophobicContact CB-CG 4.48Å; F785-M808 HydrophobicContact CB-SD 4.23Å; F785-M808 HydrophobicContact CD1-CG 3.92Å; A802-M808 HydrophobicContact CB-CB 3.94Å; S804-M808 PolarHBondContact O-N 3.24Å; A806-M808 VanDerWaalsContact C-N 3.33Å; A806-M808 PolarHBondContact O-N 2.9Å; M808-W811 PolarHBondContact O-N 3.4Å; M808-H812 WeakPolarHBondContact O-CB 3.24Å; M808-H812 PolarHBondContact O-N 3.1Å; M808-H812 HydrophobicContact SD-CB 4.36Å
809	K	97.3	Very high	97	Very high	109 Å²	109	45.1 Å²	45.1	47%	0.474	25%	0.248	S	C	.	.	H	α-helix	trans	-62.4	-45.9	176.4	-73.5	-170.2	168.1	-154.4	0	112.2	V805 A806 E807 W811 H812 D813	V805-K809 PolarHBondContact O-N 3.48Å; V805-K809 VanDerWaalsContact O-N 3.13Å; A806-K809 WeakPolarHBondContact O-CB 3.4Å; A806-K809 PolarHBondContact O-N 2.9Å; A806-K809 VanDerWaalsContact O-N 3.15Å; E807-K809 VanDerWaalsContact C-N 3.35Å; E807-K809 PolarHBondContact O-N 3.24Å; K809-W811 VanDerWaalsContact C-N 3.31Å; K809-W811 PolarHBondContact O-N 3.33Å; K809-H812 PolarHBondContact O-N 2.78Å; K809-D813 WeakPolarHBondContact O-CB 3.48Å; K809-D813 VanDerWaalsContact O-CG 3.22Å; K809-D813 PolarHBondContact O-N 3.44Å
810	T	97.8	Very high	96.8	Very high	61 Å²	61	46.1 Å²	46.1	37%	0.374	26%	0.255	S	S	.	.	H	α-helix	trans	-55.9	-45.3	176.1	-53.9	0	0	0	0	111.8	F710 A806 E807 I814	F710-T810 HydrophobicContact CE1-CG2 4.25Å; F710-T810 HydrophobicContact CE2-CG2 4Å; F710-T810 HydrophobicContact CZ-CG2 3.61Å; A806-T810 PolarHBondContact O-N 3.39Å; A806-T810 PolarHBondContact O-OG1 3.17Å; A806-T810 VanDerWaalsContact O-OG1 3.1Å; E807-T810 PolarHBondContact O-N 2.78Å; T810-I814 HydrophobicContact CG2-CD1 3.66Å; T810-I814 HydrophobicContact CG2-CG1 4.46Å; T810-I814 WeakPolarHBondContact O-CB 3.36Å; T810-I814 WeakPolarHBondContact O-CD1 3.41Å; T810-I814 WeakPolarHBondContact O-CG1 3.23Å; T810-I814 PolarHBondContact O-N 3.42Å; T810-I814 VanDerWaalsContact O-N 3.11Å
811	W	97.9	Very high	96.5	Very high	1 Å²	1	50.2 Å²	50.2	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-62.8	-49.8	174.3	-86.3	107.5	0	0	0	112.6	F710 L714 C728 L730 L735 F785 E807 M808 K809 D813 I815	F710-W811 AromaticContact CD1-CD2 3.8Å; F710-W811 HydrophobicContact CD1-CD2 3.8Å; F710-W811 AromaticContact CD1-CE2 3.79Å; F710-W811 AromaticContact CD1-CE3 3.8Å; F710-W811 HydrophobicContact CD1-CE3 3.8Å; F710-W811 AromaticContact CD1-CH2 3.83Å; F710-W811 HydrophobicContact CD1-CH2 3.83Å; F710-W811 AromaticContact CD1-CZ2 3.83Å; F710-W811 HydrophobicContact CD1-CZ2 3.83Å; F710-W811 AromaticContact CD1-CZ3 3.83Å; F710-W811 HydrophobicContact CD1-CZ3 3.83Å; F710-W811 AromaticContact CE1-CD2 3.8Å; F710-W811 HydrophobicContact CE1-CD2 3.8Å; F710-W811 AromaticContact CE1-CE2 3.6Å; F710-W811 HydrophobicContact CE1-CE3 4.28Å; F710-W811 HydrophobicContact CE1-CG 4.17Å; F710-W811 HydrophobicContact CE1-CH2 4.42Å; F710-W811 AromaticContact CE1-CZ2 3.95Å; F710-W811 HydrophobicContact CE1-CZ2 3.95Å; F710-W811 AromaticContact CE1-NE1 3.8Å; L714-W811 HydrophobicContact CD1-CD2 3.85Å; L714-W811 HydrophobicContact CD1-CE3 4.32Å; L714-W811 HydrophobicContact CD1-CG 4.13Å; L714-W811 HydrophobicContact CD1-CZ2 4.15Å; L714-W811 HydrophobicContact CD2-CG 4.34Å; L714-W811 HydrophobicContact CG-CD2 4.48Å; L714-W811 HydrophobicContact CG-CZ2 4.27Å; C728-W811 HydrophobicContact CB-CH2 3.4Å; C728-W811 HydrophobicContact CB-CZ2 3.86Å; C728-W811 HydrophobicContact CB-CZ3 4.07Å; L730-W811 HydrophobicContact CB-CZ3 4.09Å; L735-W811 HydrophobicContact CD1-CZ3 4.1Å; F785-W811 HydrophobicContact CE1-CB 4.02Å; F785-W811 HydrophobicContact CZ-CB 3.81Å; F785-W811 HydrophobicContact CZ-CG 4.41Å; E807-W811 VanDerWaalsContact O-CD1 3.28Å; E807-W811 PolarHBondContact O-N 3.32Å; M808-W811 PolarHBondContact O-N 3.4Å; K809-W811 VanDerWaalsContact C-N 3.31Å; K809-W811 PolarHBondContact O-N 3.33Å; W811-D813 PolarHBondContact O-N 2.88Å; W811-I815 HydrophobicContact CE3-CD1 3.87Å; W811-I815 HydrophobicContact CE3-CG1 4.27Å; W811-I815 WeakPolarHBondContact O-CB 3.45Å; W811-I815 WeakPolarHBondContact O-CD1 3.25Å; W811-I815 WeakPolarHBondContact O-CG1 3.42Å; W811-I815 PolarHBondContact O-N 3.17Å
812	H	97.1	Very high	96.2	Very high	29 Å²	29	51.9 Å²	51.9	13%	0.134	29%	0.288	C	S	.	.	H	α-helix	trans	-57.7	-49.3	-179.9	174.7	-88.1	0	0	0	111.8	L775 M808 K809 K816	L775-H812 WeakPolarHBondContact CD1-O 3.41Å; M808-H812 WeakPolarHBondContact O-CB 3.24Å; M808-H812 PolarHBondContact O-N 3.1Å; M808-H812 HydrophobicContact SD-CB 4.36Å; K809-H812 PolarHBondContact O-N 2.78Å; H812-K816 WeakPolarHBondContact O-CB 3.25Å; H812-K816 PolarHBondContact O-N 3.47Å
813	D	97.2	Very high	95.6	Very high	87 Å²	87	56 Å²	56	47%	0.465	31%	0.305	S	S	.	.	H	α-helix	trans	-75.4	-34.8	-171.8	-61.9	-24.6	0	0	0	111.9	K809 W811 S817	K809-D813 WeakPolarHBondContact O-CB 3.48Å; K809-D813 VanDerWaalsContact O-CG 3.22Å; K809-D813 PolarHBondContact O-N 3.44Å; W811-D813 PolarHBondContact O-N 2.88Å; D813-S817 WeakPolarHBondContact O-CB 3.44Å; D813-S817 PolarHBondContact O-N 2.89Å
814	I	96.6	Very high	95.1	Very high	50 Å²	50	57 Å²	57	26%	0.256	31%	0.307	S	S	.	.	H	α-helix	trans	-70.4	-48.4	172.7	-59.8	170.2	0	0	0	110.7	F710 L730 T810 K816 S817 T818	F710-I814 HydrophobicContact CB-CD1 4.31Å; F710-I814 HydrophobicContact CB-CG2 4.27Å; F710-I814 HydrophobicContact CD1-CD1 4.3Å; F710-I814 HydrophobicContact CD2-CD1 3.54Å; F710-I814 HydrophobicContact CE2-CD1 3.81Å; F710-I814 HydrophobicContact CG-CD1 3.82Å; F710-I814 HydrophobicContact CZ-CD1 4.3Å; L730-I814 HydrophobicContact CD2-CB 4.38Å; L730-I814 HydrophobicContact CD2-CG2 3.61Å; T810-I814 HydrophobicContact CG2-CD1 3.66Å; T810-I814 HydrophobicContact CG2-CG1 4.46Å; T810-I814 WeakPolarHBondContact O-CB 3.36Å; T810-I814 WeakPolarHBondContact O-CD1 3.41Å; T810-I814 WeakPolarHBondContact O-CG1 3.23Å; T810-I814 PolarHBondContact O-N 3.42Å; T810-I814 VanDerWaalsContact O-N 3.11Å; I814-K816 VanDerWaalsContact C-N 3.27Å; I814-K816 PolarHBondContact O-N 2.97Å; I814-S817 WeakPolarHBondContact O-CB 3.5Å; I814-S817 PolarHBondContact O-N 3Å; I814-S817 VanDerWaalsContact O-N 3.09Å; I814-T818 PolarHBondContact O-N 2.77Å; I814-T818 PolarHBondContact O-OG1 3.18Å
815	I	96.9	Very high	94	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-58.2	-43.8	177.3	-64.7	164.5	0	0	0	109.9	L730 L735 L770 L775 F785 W811 S817 T818 V819	L730-I815 HydrophobicContact CD1-CG1 4.04Å; L730-I815 HydrophobicContact CD2-CB 4.49Å; L730-I815 HydrophobicContact CD2-CG1 3.79Å; L730-I815 HydrophobicContact CG-CG1 4.49Å; L735-I815 HydrophobicContact CD2-CD1 4.06Å; L770-I815 HydrophobicContact CD2-CG2 4.12Å; L775-I815 HydrophobicContact CD1-CB 3.95Å; L775-I815 HydrophobicContact CD1-CG2 3.95Å; L775-I815 HydrophobicContact CD2-CG2 4.01Å; L775-I815 HydrophobicContact CG-CG2 4.4Å; F785-I815 HydrophobicContact CE2-CD1 3.79Å; F785-I815 HydrophobicContact CZ-CD1 4.14Å; W811-I815 HydrophobicContact CE3-CD1 3.87Å; W811-I815 HydrophobicContact CE3-CG1 4.27Å; W811-I815 WeakPolarHBondContact O-CB 3.45Å; W811-I815 WeakPolarHBondContact O-CD1 3.25Å; W811-I815 WeakPolarHBondContact O-CG1 3.42Å; W811-I815 PolarHBondContact O-N 3.17Å; I815-S817 PolarHBondContact O-N 3.21Å; I815-T818 PolarHBondContact O-N 2.92Å; I815-V819 HydrophobicContact CG2-CG2 4.18Å; I815-V819 WeakPolarHBondContact O-CB 3.49Å; I815-V819 WeakPolarHBondContact O-CG2 3.28Å; I815-V819 PolarHBondContact O-N 2.84Å
816	K	95.2	Very high	92.1	Very high	102 Å²	102	59 Å²	59	44%	0.443	33%	0.334	S	S	.	.	H	α-helix	trans	-59.2	-46.2	175.8	-173.9	-172.7	171.7	-164	0	111.4	L775 H812 I814 T818 V819 D820	L775-K816 HydrophobicContact CD1-CB 4.06Å; H812-K816 WeakPolarHBondContact O-CB 3.25Å; H812-K816 PolarHBondContact O-N 3.47Å; I814-K816 VanDerWaalsContact C-N 3.27Å; I814-K816 PolarHBondContact O-N 2.97Å; K816-T818 PolarHBondContact O-N 2.85Å; K816-V819 PolarHBondContact O-N 2.85Å; K816-D820 VanDerWaalsContact CE-OD2 3.29Å; K816-D820 WeakPolarHBondContact CE-OD2 3.27Å; K816-D820 WeakPolarHBondContact O-CB 3.43Å; K816-D820 PolarHBondContact O-N 2.91Å
817	S	95.4	Very high	89.3	Confident	71 Å²	71	59 Å²	59	50%	0.497	33%	0.334	S	S	.	.	H	α-helix	trans	-58.5	-47.1	177.9	-167.3	0	0	0	0	111.9	D813 I814 I815 V819 D820 V821	D813-S817 WeakPolarHBondContact O-CB 3.44Å; D813-S817 PolarHBondContact O-N 2.89Å; I814-S817 WeakPolarHBondContact O-CB 3.5Å; I814-S817 PolarHBondContact O-N 3Å; I814-S817 VanDerWaalsContact O-N 3.09Å; I815-S817 PolarHBondContact O-N 3.21Å; S817-V819 PolarHBondContact O-N 3.46Å; S817-D820 PolarHBondContact O-N 2.91Å; S817-V821 WeakPolarHBondContact O-CG2 3.46Å; S817-V821 PolarHBondContact O-N 2.87Å
818	T	95.3	Very high	86.3	Confident	13 Å²	13	62.3 Å²	62.3	8%	0.08	36%	0.362	C	S	.	.	H	α-helix	trans	-59.4	-47.1	175.6	-53	0	0	0	0	111.8	L709 D732 L770 I814 I815 K816 D820 V821 L822	L709-T818 HydrophobicContact CD1-CG2 3.59Å; L709-T818 WeakPolarHBondContact CD1-OG1 3.42Å; D732-T818 WeakPolarHBondContact O-CG2 3.2Å; L770-T818 HydrophobicContact CD1-CG2 3.6Å; I814-T818 PolarHBondContact O-N 2.77Å; I814-T818 PolarHBondContact O-OG1 3.18Å; I815-T818 PolarHBondContact O-N 2.92Å; K816-T818 PolarHBondContact O-N 2.85Å; T818-D820 PolarHBondContact O-N 3.05Å; T818-V821 PolarHBondContact O-N 3.41Å; T818-L822 HydrophobicContact CG2-CD1 4.36Å; T818-L822 WeakPolarHBondContact O-CG 3.25Å; T818-L822 PolarHBondContact O-N 2.93Å
819	V	94.5	Very high	83.4	Confident	5 Å²	5	70.6 Å²	70.6	3%	0.03	40%	0.403	C	S	.	.	H	α-helix	trans	-61.9	-41.4	178	170	0	0	0	0	111.7	L770 V773 I815 K816 S817 V821 K823	L770-V819 HydrophobicContact CB-CG2 4.03Å; L770-V819 HydrophobicContact CD2-CG2 4.09Å; V773-V819 HydrophobicContact CB-CG2 4.09Å; V773-V819 HydrophobicContact CG1-CG2 4.03Å; V773-V819 WeakPolarHBondContact O-CG1 3.33Å; I815-V819 HydrophobicContact CG2-CG2 4.18Å; I815-V819 WeakPolarHBondContact O-CB 3.49Å; I815-V819 WeakPolarHBondContact O-CG2 3.28Å; I815-V819 PolarHBondContact O-N 2.84Å; K816-V819 PolarHBondContact O-N 2.85Å; S817-V819 PolarHBondContact O-N 3.46Å; V819-V821 VanDerWaalsContact C-N 3.33Å; V819-K823 HydrophobicContact CG1-CD 3.95Å; V819-K823 VanDerWaalsContact CG1-CE 3.48Å; V819-K823 WeakPolarHBondContact O-CB 3.37Å; V819-K823 VanDerWaalsContact O-CG 3.28Å; V819-K823 WeakPolarHBondContact O-CG 3.44Å; V819-K823 PolarHBondContact O-N 2.82Å
820	D	92.7	Very high	80.3	Confident	65 Å²	65	76.8 Å²	76.8	35%	0.348	42%	0.423	S	S	.	.	H	α-helix	trans	-73.1	-23.3	178.3	-72.4	-14.3	0	0	0	112.3	K816 S817 T818 K824	K816-D820 VanDerWaalsContact CE-OD2 3.29Å; K816-D820 WeakPolarHBondContact CE-OD2 3.27Å; K816-D820 WeakPolarHBondContact O-CB 3.43Å; K816-D820 PolarHBondContact O-N 2.91Å; S817-D820 PolarHBondContact O-N 2.91Å; T818-D820 PolarHBondContact O-N 3.05Å; D820-K824 VanDerWaalsContact O-CD 3.27Å; D820-K824 WeakPolarHBondContact O-CD 3.36Å; D820-K824 WeakPolarHBondContact O-CE 3.39Å; D820-K824 VanDerWaalsContact O-CG 3.25Å; D820-K824 WeakPolarHBondContact O-CG 3.46Å
821	V	91.9	Very high	76.9	Confident	85 Å²	85	82.4 Å²	82.4	52%	0.515	45%	0.45	S	S	.	.	H	α-helix	trans	-75.4	-50.4	169.7	167.6	0	0	0	0	110.8	S817 T818 V819 K823 K824 S825	S817-V821 WeakPolarHBondContact O-CG2 3.46Å; S817-V821 PolarHBondContact O-N 2.87Å; T818-V821 PolarHBondContact O-N 3.41Å; V819-V821 VanDerWaalsContact C-N 3.33Å; V821-K823 VanDerWaalsContact C-N 3.26Å; V821-K823 PolarHBondContact O-N 2.74Å; V821-K824 WeakPolarHBondContact O-CA 3.31Å; V821-K824 WeakPolarHBondContact O-CB 2.98Å; V821-K824 PolarHBondContact O-N 2.71Å; V821-S825 PolarHBondContact O-N 3.36Å; V821-S825 PolarHBondContact O-OG 3.34Å
822	L	90.9	Very high	73.6	Confident	47 Å²	47	87.6 Å²	87.6	25%	0.246	49%	0.486	C	S	.	.	H	α-helix	trans	-56.1	-40.5	177.5	-73	172.3	0	0	0	112.3	D732 L770 T818 K824 S825 G826	D732-L822 WeakPolarHBondContact O-CD1 3.28Å; L770-L822 HydrophobicContact CB-CD1 3.42Å; L770-L822 VanDerWaalsContact CB-CD1 3.42Å; L770-L822 HydrophobicContact CD1-CD1 4.33Å; T818-L822 HydrophobicContact CG2-CD1 4.36Å; T818-L822 WeakPolarHBondContact O-CG 3.25Å; T818-L822 PolarHBondContact O-N 2.93Å; L822-K824 VanDerWaalsContact C-N 3.25Å; L822-K824 PolarHBondContact O-N 2.7Å; L822-S825 WeakPolarHBondContact CA-OG 3.44Å; L822-S825 PolarHBondContact O-N 2.72Å; L822-S825 PolarHBondContact O-OG 3.08Å; L822-G826 PolarHBondContact O-N 3.24Å
823	K	87.4	Confident	70.6	Confident	93 Å²	93	93 Å²	93	40%	0.404	51%	0.514	S	S	.	.	H	α-helix	trans	-69.9	-19.3	177.1	-73.3	169.8	-174.9	169.1	0	113.6	D771 V773 V819 V821 A827	D771-K823 WeakPolarHBondContact O-CE 3.18Å; V773-K823 PolarHBondContact O-NZ 3.09Å; V819-K823 HydrophobicContact CG1-CD 3.95Å; V819-K823 VanDerWaalsContact CG1-CE 3.48Å; V819-K823 WeakPolarHBondContact O-CB 3.37Å; V819-K823 VanDerWaalsContact O-CG 3.28Å; V819-K823 WeakPolarHBondContact O-CG 3.44Å; V819-K823 PolarHBondContact O-N 2.82Å; V821-K823 VanDerWaalsContact C-N 3.26Å; V821-K823 PolarHBondContact O-N 2.74Å; K823-A827 WeakPolarHBondContact O-CB 3.47Å
824	K	84.6	Confident	67.6	Low	152 Å²	152	94.4 Å²	94.4	66%	0.661	53%	0.529	S	S	*	.	H	α-helix	trans	-84.8	-44.1	171.4	-70.7	165.6	-170.7	172	0	111.4	D820 V821 L822 G826 A827	D820-K824 VanDerWaalsContact O-CD 3.27Å; D820-K824 WeakPolarHBondContact O-CD 3.36Å; D820-K824 WeakPolarHBondContact O-CE 3.39Å; D820-K824 VanDerWaalsContact O-CG 3.25Å; D820-K824 WeakPolarHBondContact O-CG 3.46Å; V821-K824 WeakPolarHBondContact O-CA 3.31Å; V821-K824 WeakPolarHBondContact O-CB 2.98Å; V821-K824 PolarHBondContact O-N 2.71Å; L822-K824 VanDerWaalsContact C-N 3.25Å; L822-K824 PolarHBondContact O-N 2.7Å; K824-G826 VanDerWaalsContact C-N 3.29Å; K824-G826 PolarHBondContact O-N 2.96Å; K824-A827 WeakPolarHBondContact O-CB 3.48Å; K824-A827 PolarHBondContact O-N 3.39Å
825	S	74.8	Confident	64.4	Low	88 Å²	88	101.1 Å²	101.1	62%	0.615	56%	0.559	S	S	*	*	H	α-helix	trans	-64.8	-34.1	176	53.9	0	0	0	0	112.3	V821 L822 A827	V821-S825 PolarHBondContact O-N 3.36Å; V821-S825 PolarHBondContact O-OG 3.34Å; L822-S825 WeakPolarHBondContact CA-OG 3.44Å; L822-S825 PolarHBondContact O-N 2.72Å; L822-S825 PolarHBondContact O-OG 3.08Å; S825-A827 VanDerWaalsContact C-N 3.27Å; S825-A827 PolarHBondContact O-N 3.46Å
826	G	58.3	Low	61.2	Low	65 Å²	65	104.5 Å²	104.5	67%	0.67	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-2	171.9	0	0	0	0	0	115.5	L822 K824	L822-G826 PolarHBondContact O-N 3.24Å; K824-G826 VanDerWaalsContact C-N 3.29Å; K824-G826 PolarHBondContact O-N 2.96Å
827	A	38.7	Very low	58.1	Low	70 Å²	70	106.8 Å²	106.8	58%	0.579	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	13.7	-174.2	0	0	0	0	0	115.1	K823 K824 S825	K823-A827 WeakPolarHBondContact O-CB 3.47Å; K824-A827 WeakPolarHBondContact O-CB 3.48Å; K824-A827 PolarHBondContact O-N 3.39Å; S825-A827 VanDerWaalsContact C-N 3.27Å; S825-A827 PolarHBondContact O-N 3.46Å
828	S	35.5	Very low	55	Low	112 Å²	112	106.5 Å²	106.5	78%	0.783	62%	0.624	S	S	*	*	S	Bend	trans	-100.9	63.2	172.4	-166.1	0	0	0	0	112.2
829	M	34.7	Very low	51.9	Low	178 Å²	178	113 Å²	113	88%	0.877	66%	0.663	S	S	*	*	S	Bend	trans	-164.8	35.1	163.6	-111.5	-58.8	-128.7	0	0	113.4
830	R	31.7	Very low	49.2	Very low	239 Å²	239	118.8 Å²	118.8	90%	0.902	70%	0.699	S	S	*	*			trans	-133.8	89.5	167.7	-79.8	-167	174	-177.6	-0.2	111.1	S832	R830-S832 PolarHBondContact O-N 3.08Å; R830-S832 VanDerWaalsContact O-N 3.12Å
831	L	27.9	Very low	46.5	Very low	178 Å²	178	121.6 Å²	121.6	93%	0.932	72%	0.721	S	S	*	*			trans	-58	110.9	168.6	-81	161.7	0	0	0	110.3	I833	L831-I833 PolarHBondContact O-N 3.45Å
832	S	27.9	Very low	43.4	Very low	111 Å²	111	125.7 Å²	125.7	78%	0.776	74%	0.739	S	S	*	*			trans	-76.5	109.8	172.1	54.1	0	0	0	0	110.2	R830	R830-S832 PolarHBondContact O-N 3.08Å; R830-S832 VanDerWaalsContact O-N 3.12Å
833	I	34.4	Very low	40.3	Very low	141 Å²	141	128.7 Å²	128.7	72%	0.723	76%	0.764	S	S	*	*			trans	-61.2	129.6	176.5	-60.4	174.3	0	0	0	109.5	L831 H835	L831-I833 PolarHBondContact O-N 3.45Å; I833-H835 PolarHBondContact O-N 3.35Å; I833-H835 PolarHBondContact O-ND1 2.97Å
834	P	34.3	Very low	38.1	Very low	118 Å²	118	129.6 Å²	129.6	77%	0.766	78%	0.779	S	S	*	*			trans	-67.3	131	-173.6	26.6	-35	0	0	0	111.9	G836	P834-G836 PolarHBondContact O-N 2.99Å
835	H	29.8	Very low	35.4	Very low	191 Å²	191	128 Å²	128	88%	0.884	78%	0.782	S	S	*	*			trans	-86.7	101.3	177.6	-81.5	52.7	0	0	0	111.2	I833	I833-H835 PolarHBondContact O-N 3.35Å; I833-H835 PolarHBondContact O-ND1 2.97Å
836	G	29.4	Very low	33.2	Very low	71 Å²	71	129.9 Å²	129.9	73%	0.732	79%	0.79	S	S	*	*			trans	-80.3	118.5	166.7	0	0	0	0	0	111.9	P834	P834-G836 PolarHBondContact O-N 2.99Å
837	V	30.6	Very low	31.9	Very low	150 Å²	150	134 Å²	134	91%	0.909	80%	0.796	S	S	*	*			trans	30.4	102.7	153.2	-168.6	0	0	0	0	118.5
838	G	30	Very low	31.4	Very low	65 Å²	65	138.8 Å²	138.8	67%	0.67	81%	0.81	S	S	*	*				111.9	155.5	123.2	0	0	0	0	0	120.3
839	V	29.2	Very low	31.1	Very low	148 Å²	148	137.5 Å²	137.5	90%	0.897	81%	0.806	S	S	*	*			trans	74.8	132.3	167.7	-165.4	0	0	0	0	117.1
840	T	38.1	Very low	31.8	Very low	127 Å²	127	134.1 Å²	134.1	78%	0.779	80%	0.798	S	S	*	*			trans	-76.7	161.1	179.8	45.8	0	0	0	0	113.5
841	P	35.5	Very low	31.5	Very low	125 Å²	125	130.5 Å²	130.5	81%	0.812	80%	0.795	S	S	*	*			trans	-130.1	161.5	132.9	37.2	-29.9	0	0	0	114.1
842	L	27.2	Very low	31.7	Very low	171 Å²	171	129.4 Å²	129.4	90%	0.895	79%	0.79	S	S	*	*			trans	-89.4	165.2	171.6	-73.7	155.1	0	0	0	111.2
843	S	26.8	Very low	32.3	Very low	110 Å²	110	129.6 Å²	129.6	77%	0.769	79%	0.789	S	S	*	*			trans	-61.2	162.7	169.5	-32.5	0	0	0	0	111.9
844	P	41.6	Very low	32.1	Very low	112 Å²	112	128.2 Å²	128.2	73%	0.727	79%	0.792	S	S	*	*				-151.8	164.3	62.2	39.2	-17.6	0	0	0	119.4
845	T	27.2	Very low	31.8	Very low	119 Å²	119	131.4 Å²	131.4	73%	0.73	80%	0.796	S	S	*	*			trans	27.6	134.9	131.2	-33.2	0	0	0	0	118.9
846	T	28.3	Very low	31.8	Very low	126 Å²	126	129.7 Å²	129.7	77%	0.773	79%	0.794	S	S	*	*				-168.8	161.9	71.3	-50.4	0	0	0	0	114.4
847	L	30.3	Very low	31.8	Very low	152 Å²	152	130 Å²	130	80%	0.796	80%	0.796	S	S	*	*			trans	-65.2	161.4	177.7	-57.4	159.8	0	0	0	115.4
848	I	28.5	Very low	31.6	Very low	170 Å²	170	128.2 Å²	128.2	87%	0.872	79%	0.791	S	S	*	*				166.6	148.7	118.4	-87.1	164.3	0	0	0	113
849	A	29	Very low	31.5	Very low	85 Å²	85	131.7 Å²	131.7	70%	0.702	79%	0.793	S	S	*	*			trans	-138	-175.4	166.9	0	0	0	0	0	107.2
850	P	50.6	Low	31.4	Very low	108 Å²	108	136.1 Å²	136.1	70%	0.701	79%	0.794	S	S	*	*			cis	-143.8	-160.2	7.5	34.5	-8.7	0	0	0	115.1
851	L	25.4	Very low	30.8	Very low	163 Å²	163	133.6 Å²	133.6	85%	0.853	79%	0.793	S	S	*	*			trans	131.4	145.7	139.7	-66.6	178.4	0	0	0	119.1
852	N	31.8	Very low	30.4	Very low	155 Å²	155	133 Å²	133	83%	0.829	79%	0.792	S	S	*	*			trans	-90.4	177.9	173.1	-89	2.9	0	0	0	110.6
853	P	40.4	Very low	30.4	Very low	114 Å²	114	129 Å²	129	74%	0.74	78%	0.779	S	S	*	*			cis	-156.7	178.8	37.4	45.4	-22.6	0	0	0	121.5
854	S	29.4	Very low	30.5	Very low	113 Å²	113	130.8 Å²	130.8	79%	0.79	78%	0.779	S	S	*	*			trans	33.1	140.5	142.8	-59	0	0	0	0	124.7
855	E	29.8	Very low	30.1	Very low	184 Å²	184	132.6 Å²	132.6	86%	0.86	78%	0.778	S	S	*	*				-165.8	-171.3	117.2	-106.4	-151.9	114.1	0	0	115.4
856	N	29.8	Very low	30.1	Very low	156 Å²	156	132.6 Å²	132.6	83%	0.834	77%	0.77	S	S	*	*			trans	-105.3	167	-158.3	-61.2	-76.9	0	0	0	116.5
857	G	28.9	Very low	30.3	Very low	76 Å²	76	136 Å²	136	78%	0.784	77%	0.768	S	S	*	*			trans	-176.3	149.7	163.8	0	0	0	0	0	114.3
858	S	25.1	Very low	30.2	Very low	113 Å²	113	135.1 Å²	135.1	79%	0.79	77%	0.765	S	S	*	*			trans	-163.9	164.9	-177.3	-156.6	0	0	0	0	116
859	L	28.7	Very low	30.3	Very low	138 Å²	138	132 Å²	132	72%	0.723	76%	0.758	S	S	*	*			trans	85.4	127.4	163.3	-55.4	172.9	0	0	0	121.4
860	R	26.9	Very low	30.4	Very low	241 Å²	241	133.9 Å²	133.9	91%	0.909	76%	0.76	S	S	*	*			trans	37.2	145.1	135.1	-49.5	178	-172.5	-140.2	2.7	120.8
861	G	25.9	Very low	29.6	Very low	74 Å²	74	135.2 Å²	135.2	76%	0.763	77%	0.767	S	S	*	*			cis	149.8	160.1	-5.5	0	0	0	0	0	114.4
862	S	26.2	Very low	29.8	Very low	114 Å²	114	131 Å²	131	80%	0.797	76%	0.762	S	S	*	*			trans	86.8	122.9	163.4	-150.5	0	0	0	0	122.4
863	S	27.8	Very low	29.9	Very low	87 Å²	87	132.9 Å²	132.9	61%	0.608	77%	0.766	S	S	*	*			trans	63.7	134	134.1	58.7	0	0	0	0	125
864	D	29.1	Very low	29.6	Very low	147 Å²	147	134.7 Å²	134.7	79%	0.786	77%	0.769	S	S	*	*			trans	73.8	145.7	143.7	-60.7	-14.6	0	0	0	119.9
865	Q	32	Very low	30.2	Very low	149 Å²	149	134 Å²	134	70%	0.696	77%	0.771	S	S	*	*			cis	-164.5	144.7	-7.5	165.1	178.3	-7.1	0	0	112
866	E	28.9	Very low	30.9	Very low	120 Å²	120	130 Å²	130	56%	0.561	76%	0.759	S	S	*	*			trans	57.1	135.9	160.3	-74.7	-177.2	103.6	0	0	125.3
867	R	31.8	Very low	31.9	Very low	196 Å²	196	129.5 Å²	129.5	74%	0.74	75%	0.751	S	S	*	*			trans	43.9	140.3	135.9	-68.7	-169	-102.2	-159.6	-1.6	120.9
868	D	28.3	Very low	33.2	Very low	135 Å²	135	130.3 Å²	130.3	72%	0.722	74%	0.743	S	S	*	*			cis	-159.9	154.7	26.2	-122	-22.8	0	0	0	115.1
869	S	29.8	Very low	34.7	Very low	104 Å²	104	126.8 Å²	126.8	73%	0.727	72%	0.724	S	S	*	*			trans	79.5	142.5	146.4	81.2	0	0	0	0	124.8
870	V	32.3	Very low	36.3	Very low	124 Å²	124	125.3 Å²	125.3	75%	0.752	72%	0.716	S	S	*	*			trans	80.7	130.2	156.8	-163.9	0	0	0	0	121.2
871	T	34.3	Very low	38.2	Very low	136 Å²	136	118.1 Å²	118.1	83%	0.834	69%	0.691	S	S	*	*			trans	56.5	114.1	169	41.1	0	0	0	0	118.7
872	G	29.6	Very low	40.3	Very low	74 Å²	74	116.8 Å²	116.8	76%	0.763	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-102.9	154	170.2	0	0	0	0	0	113.1
873	H	33.1	Very low	42.5	Very low	196 Å²	196	115.2 Å²	115.2	91%	0.907	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-93.7	124.2	165.3	-89.1	-95.3	0	0	0	110	A875	H873-A875 PolarHBondContact O-N 3.38Å
874	N	35	Very low	44.7	Very low	152 Å²	152	117.2 Å²	117.2	81%	0.813	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-74.3	120.8	172	-71.9	-20.6	0	0	0	110	V876	N874-V876 PolarHBondContact O-N 3.01Å
875	A	41.5	Very low	46.7	Very low	99 Å²	99	111.9 Å²	111.9	82%	0.818	62%	0.619	S	S	*	*			trans	-71.9	107.4	158.5	0	0	0	0	0	107.9	H873 H877	H873-A875 PolarHBondContact O-N 3.38Å; A875-H877 PolarHBondContact O-N 3.26Å
876	V	44.3	Very low	48.8	Very low	100 Å²	100	105.8 Å²	105.8	61%	0.606	59%	0.591	S	S	*	*			trans	-68.7	123.2	-178.5	179.2	0	0	0	0	109.4	N874 L880	N874-V876 PolarHBondContact O-N 3.01Å; V876-L880 HydrophobicContact CG1-CB 4.22Å
877	H	50.1	Low	51	Low	144 Å²	144	102.9 Å²	102.9	67%	0.667	58%	0.582	S	S	*	*			trans	-61.8	134.1	176	-112.3	-91.5	0	0	0	110.1	A875 G879 L880	A875-H877 PolarHBondContact O-N 3.26Å; H877-G879 PolarHBondContact O-N 2.92Å; H877-G879 VanDerWaalsContact O-N 3.09Å; H877-L880 HydrophobicContact CB-CG 4.48Å; H877-L880 WeakPolarHBondContact O-CB 3.39Å; H877-L880 PolarHBondContact O-N 2.8Å
878	P	56.7	Low	53	Low	94 Å²	94	100.7 Å²	100.7	61%	0.61	58%	0.584	S	S	*	*	H	α-helix	trans	-60.2	-27	-176.7	21.4	-32.8	0	0	0	113.5	L880 K881 L882	P878-L880 VanDerWaalsContact C-N 3.29Å; P878-L880 PolarHBondContact O-N 3.43Å; P878-K881 PolarHBondContact O-N 3.22Å; P878-L882 PolarHBondContact O-N 3.41Å; P878-L882 VanDerWaalsContact O-N 3.1Å
879	G	56.3	Low	55.2	Low	38 Å²	38	100.6 Å²	100.6	39%	0.392	57%	0.574	S	S	.	*	H	α-helix	trans	-63.8	-28.4	173.4	0	0	0	0	0	114.4	H877 I883	H877-G879 PolarHBondContact O-N 2.92Å; H877-G879 VanDerWaalsContact O-N 3.09Å; G879-I883 WeakPolarHBondContact O-CD1 3.22Å; G879-I883 VanDerWaalsContact O-CG1 3.29Å; G879-I883 WeakPolarHBondContact O-CG1 3.21Å; G879-I883 PolarHBondContact O-N 2.98Å
880	L	62.6	Low	56.9	Low	108 Å²	108	98 Å²	98	57%	0.565	56%	0.564	S	S	*	*	H	α-helix	trans	-73.1	-43.4	174.7	-66.6	175.7	0	0	0	111.1	V876 H877 P878 L882 I883 E884	V876-L880 HydrophobicContact CG1-CB 4.22Å; H877-L880 HydrophobicContact CB-CG 4.48Å; H877-L880 WeakPolarHBondContact O-CB 3.39Å; H877-L880 PolarHBondContact O-N 2.8Å; P878-L880 VanDerWaalsContact C-N 3.29Å; P878-L880 PolarHBondContact O-N 3.43Å; L880-L882 VanDerWaalsContact C-N 3.26Å; L880-L882 PolarHBondContact O-N 3.17Å; L880-I883 PolarHBondContact O-N 3.37Å; L880-E884 WeakPolarHBondContact O-CB 3.48Å; L880-E884 PolarHBondContact O-N 3.22Å
881	K	66.9	Low	58.7	Low	89 Å²	89	93.6 Å²	93.6	39%	0.387	54%	0.535	S	S	.	.	H	α-helix	trans	-61.2	-36.1	176.1	-165	-168.5	174.4	-154.2	0	111.6	P878 M885 F1032 E1035	P878-K881 PolarHBondContact O-N 3.22Å; K881-M885 VanDerWaalsContact O-CB 3.3Å; K881-M885 WeakPolarHBondContact O-CB 3.42Å; K881-M885 PolarHBondContact O-N 3.37Å; K881-F1032 HydrophobicContact CB-CE2 4.41Å; K881-F1032 HydrophobicContact CD-CE2 4.39Å; K881-F1032 HydrophobicContact CG-CE2 4.41Å; K881-E1035 IonicContact NZ-OE2 2.71Å; K881-E1035 PolarHBondContact NZ-OE2 2.92Å
882	L	70	Confident	60	Low	47 Å²	47	90.8 Å²	90.8	25%	0.246	52%	0.517	C	S	.	.	H	α-helix	trans	-65	-45.4	174.5	179.4	56.4	0	0	0	112.2	P878 L880 M885 L886 L1029 F1032	P878-L882 PolarHBondContact O-N 3.41Å; P878-L882 VanDerWaalsContact O-N 3.1Å; L880-L882 VanDerWaalsContact C-N 3.26Å; L880-L882 PolarHBondContact O-N 3.17Å; L882-M885 HydrophobicContact CD1-CE 3.98Å; L882-M885 PolarHBondContact O-N 2.82Å; L882-L886 HydrophobicContact CD1-CD1 3.9Å; L882-L886 HydrophobicContact CD1-CG 4.12Å; L882-L886 HydrophobicContact CG-CD1 4.03Å; L882-L886 WeakPolarHBondContact O-CB 3.47Å; L882-L886 VanDerWaalsContact O-CG 3.28Å; L882-L886 WeakPolarHBondContact O-CG 3.43Å; L882-L886 PolarHBondContact O-N 2.93Å; L882-L1029 HydrophobicContact CD1-CD2 3.95Å; L882-F1032 HydrophobicContact CB-CE1 4.16Å; L882-F1032 HydrophobicContact CB-CE2 3.97Å; L882-F1032 HydrophobicContact CB-CZ 3.73Å; L882-F1032 HydrophobicContact CD1-CD1 4.04Å; L882-F1032 HydrophobicContact CD1-CD2 4.13Å; L882-F1032 HydrophobicContact CD1-CE1 4.25Å; L882-F1032 HydrophobicContact CD1-CE2 4.34Å; L882-F1032 HydrophobicContact CD1-CG 3.98Å; L882-F1032 HydrophobicContact CD1-CZ 4.4Å; L882-F1032 HydrophobicContact CD2-CE1 4.48Å
883	I	72.4	Confident	61.2	Low	81 Å²	81	94.7 Å²	94.7	42%	0.415	52%	0.515	S	S	.	.	H	α-helix	trans	-64.8	-42.4	177.7	-69.3	164.9	0	0	0	110.9	G879 L880 L886 T887 L895	G879-I883 WeakPolarHBondContact O-CD1 3.22Å; G879-I883 VanDerWaalsContact O-CG1 3.29Å; G879-I883 WeakPolarHBondContact O-CG1 3.21Å; G879-I883 PolarHBondContact O-N 2.98Å; L880-I883 PolarHBondContact O-N 3.37Å; I883-L886 PolarHBondContact O-N 3.28Å; I883-T887 WeakPolarHBondContact O-CB 3.26Å; I883-T887 PolarHBondContact O-N 2.9Å; I883-T887 PolarHBondContact O-OG1 2.65Å; I883-L895 HydrophobicContact CG2-CD1 4.15Å
884	E	73	Confident	62.3	Low	128 Å²	128	89.4 Å²	89.4	60%	0.598	50%	0.496	S	S	*	.	H	α-helix	trans	-60.7	-50.1	176.2	-171.4	169.2	-143.7	0	0	111	L880 L886 T887 D888	L880-E884 WeakPolarHBondContact O-CB 3.48Å; L880-E884 PolarHBondContact O-N 3.22Å; E884-L886 PolarHBondContact O-N 2.9Å; E884-T887 WeakPolarHBondContact O-CB 3.33Å; E884-T887 PolarHBondContact O-N 2.73Å; E884-T887 VanDerWaalsContact O-N 3.15Å; E884-D888 PolarHBondContact O-N 3.43Å
885	M	72.5	Confident	63.2	Low	36 Å²	36	86.8 Å²	86.8	18%	0.177	48%	0.482	C	S	.	.	H	α-helix	trans	-61.8	-42.6	177	-172.4	-159.9	67.2	0	0	112.9	K881 L882 T887 D888 R889 V1028 F1032	K881-M885 VanDerWaalsContact O-CB 3.3Å; K881-M885 WeakPolarHBondContact O-CB 3.42Å; K881-M885 PolarHBondContact O-N 3.37Å; L882-M885 HydrophobicContact CD1-CE 3.98Å; L882-M885 PolarHBondContact O-N 2.82Å; M885-T887 VanDerWaalsContact C-N 3.28Å; M885-T887 PolarHBondContact O-N 3.01Å; M885-D888 PolarHBondContact O-N 3.41Å; M885-R889 HydrophobicContact CG-CG 4.44Å; M885-R889 VanDerWaalsContact O-CB 3.3Å; M885-R889 WeakPolarHBondContact O-CB 3.34Å; M885-R889 VanDerWaalsContact O-CG 3.25Å; M885-R889 WeakPolarHBondContact O-CG 3.31Å; M885-R889 PolarHBondContact O-N 2.93Å; M885-V1028 HydrophobicContact CE-CG1 3.39Å; M885-V1028 HydrophobicContact SD-CG1 4.34Å; M885-F1032 HydrophobicContact CE-CB 3.79Å; M885-F1032 HydrophobicContact CE-CD2 3.98Å; M885-F1032 HydrophobicContact CE-CG 4.2Å; M885-F1032 HydrophobicContact SD-CB 4.04Å; M885-F1032 HydrophobicContact SD-CD2 3.83Å; M885-F1032 HydrophobicContact SD-CG 4.41Å
886	L	74.6	Confident	63.6	Low	20 Å²	20	87.8 Å²	87.8	11%	0.105	47%	0.473	C	S	.	.	H	α-helix	trans	-65.4	-33	176.1	-72.9	170.6	0	0	0	112	L882 I883 E884 G890 F891 L1025 V1028	L882-L886 HydrophobicContact CD1-CD1 3.9Å; L882-L886 HydrophobicContact CD1-CG 4.12Å; L882-L886 HydrophobicContact CG-CD1 4.03Å; L882-L886 WeakPolarHBondContact O-CB 3.47Å; L882-L886 VanDerWaalsContact O-CG 3.28Å; L882-L886 WeakPolarHBondContact O-CG 3.43Å; L882-L886 PolarHBondContact O-N 2.93Å; I883-L886 PolarHBondContact O-N 3.28Å; E884-L886 PolarHBondContact O-N 2.9Å; L886-G890 PolarHBondContact O-N 3.28Å; L886-F891 HydrophobicContact CB-CB 4.44Å; L886-F891 HydrophobicContact CD2-CB 4.37Å; L886-F891 HydrophobicContact CD2-CD2 4.29Å; L886-F891 HydrophobicContact CD2-CG 4.5Å; L886-F891 WeakPolarHBondContact O-CB 3.34Å; L886-F891 PolarHBondContact O-N 2.66Å; L886-L1025 HydrophobicContact CD2-CD1 3.59Å; L886-V1028 HydrophobicContact CD2-CG1 4.03Å
887	T	75.3	Confident	63.7	Low	60 Å²	60	91.4 Å²	91.4	37%	0.368	48%	0.483	S	S	.	.	H	α-helix	trans	-68.5	-48.8	174.9	-57	0	0	0	0	111.1	I883 E884 M885 R889 G890 V892	I883-T887 WeakPolarHBondContact O-CB 3.26Å; I883-T887 PolarHBondContact O-N 2.9Å; I883-T887 PolarHBondContact O-OG1 2.65Å; E884-T887 WeakPolarHBondContact O-CB 3.33Å; E884-T887 PolarHBondContact O-N 2.73Å; E884-T887 VanDerWaalsContact O-N 3.15Å; M885-T887 VanDerWaalsContact C-N 3.28Å; M885-T887 PolarHBondContact O-N 3.01Å; T887-R889 VanDerWaalsContact C-N 3.32Å; T887-R889 PolarHBondContact O-N 2.78Å; T887-G890 WeakPolarHBondContact O-CA 3.02Å; T887-G890 PolarHBondContact O-N 2.8Å; T887-V892 HydrophobicContact CG2-CG2 4.07Å
888	D	73.9	Confident	63.8	Low	149 Å²	149	87.1 Å²	87.1	80%	0.797	47%	0.47	S	S	*	.	H	α-helix	trans	-64.1	-33.3	177.2	-99.1	19.8	0	0	0	112.9	E884 M885 G890	E884-D888 PolarHBondContact O-N 3.43Å; M885-D888 PolarHBondContact O-N 3.41Å; D888-G890 PolarHBondContact O-N 3.08Å
889	R	74.4	Confident	63.6	Low	134 Å²	134	86.7 Å²	86.7	51%	0.506	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-2.9	171.8	-69.8	-72.7	-156.5	-147	9	113.4	M885 T887 F891 V1028 E1031	M885-R889 HydrophobicContact CG-CG 4.44Å; M885-R889 VanDerWaalsContact O-CB 3.3Å; M885-R889 WeakPolarHBondContact O-CB 3.34Å; M885-R889 VanDerWaalsContact O-CG 3.25Å; M885-R889 WeakPolarHBondContact O-CG 3.31Å; M885-R889 PolarHBondContact O-N 2.93Å; T887-R889 VanDerWaalsContact C-N 3.32Å; T887-R889 PolarHBondContact O-N 2.78Å; R889-F891 HydrophobicContact CB-CD2 3.8Å; R889-F891 HydrophobicContact CB-CE2 3.98Å; R889-V1028 HydrophobicContact CB-CG1 4.46Å; R889-V1028 HydrophobicContact CG-CG1 4.01Å; R889-V1028 HydrophobicContact CG-CG2 4.18Å; R889-E1031 IonicContact CZ-OE2 2.69Å; R889-E1031 IonicContact NE-OE2 3.06Å; R889-E1031 VanDerWaalsContact NH2-CD 3.26Å; R889-E1031 IonicContact NH2-OE1 2.67Å; R889-E1031 PolarHBondContact NH2-OE1 3.27Å; R889-E1031 IonicContact NH2-OE2 3.55Å; R889-E1031 PolarHBondContact NH2-OE2 2.97Å
890	G	66.1	Low	63.3	Low	50 Å²	50	93.4 Å²	93.4	52%	0.515	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	0.8	173.2	0	0	0	0	0	116.5	L886 T887 D888 V892	L886-G890 PolarHBondContact O-N 3.28Å; T887-G890 WeakPolarHBondContact O-CA 3.02Å; T887-G890 PolarHBondContact O-N 2.8Å; D888-G890 PolarHBondContact O-N 3.08Å; G890-V892 PolarHBondContact O-N 2.74Å
891	F	70.5	Confident	63.1	Low	31 Å²	31	92.8 Å²	92.8	14%	0.136	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-77.6	29.4	-176.4	-67.2	-84.4	0	0	0	114.2	L886 R889 H893 V894 K1024 L1025 V1028	L886-F891 HydrophobicContact CB-CB 4.44Å; L886-F891 HydrophobicContact CD2-CB 4.37Å; L886-F891 HydrophobicContact CD2-CD2 4.29Å; L886-F891 HydrophobicContact CD2-CG 4.5Å; L886-F891 WeakPolarHBondContact O-CB 3.34Å; L886-F891 PolarHBondContact O-N 2.66Å; R889-F891 HydrophobicContact CB-CD2 3.8Å; R889-F891 HydrophobicContact CB-CE2 3.98Å; F891-H893 PolarHBondContact O-N 3.01Å; F891-H893 VanDerWaalsContact O-N 3.17Å; F891-V894 HydrophobicContact CB-CB 4.47Å; F891-V894 HydrophobicContact CB-CG2 3.96Å; F891-V894 HydrophobicContact CD1-CG2 3.9Å; F891-V894 HydrophobicContact CG-CG2 4.43Å; F891-V894 WeakPolarHBondContact O-CB 3.43Å; F891-V894 PolarHBondContact O-N 2.93Å; F891-K1024 HydrophobicContact CE1-CB 4.49Å; F891-K1024 HydrophobicContact CZ-CB 3.91Å; F891-L1025 HydrophobicContact CD1-CB 4.26Å; F891-L1025 HydrophobicContact CD1-CD1 4.04Å; F891-L1025 HydrophobicContact CE1-CB 3.78Å; F891-L1025 HydrophobicContact CE1-CD1 4.31Å; F891-L1025 HydrophobicContact CG-CD1 4.17Å; F891-L1025 HydrophobicContact CZ-CB 4.23Å; F891-V1028 HydrophobicContact CE2-CB 4.48Å; F891-V1028 HydrophobicContact CE2-CG2 4.11Å
892	V	60.6	Low	63	Low	76 Å²	76	92.1 Å²	92.1	46%	0.461	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-56.9	-34.8	-177.6	-172.5	0	0	0	0	111.8	T887 G890 V894 L895	T887-V892 HydrophobicContact CG2-CG2 4.07Å; G890-V892 PolarHBondContact O-N 2.74Å; V892-V894 VanDerWaalsContact C-N 3.27Å; V892-V894 PolarHBondContact O-N 3.17Å; V892-L895 PolarHBondContact O-N 3.17Å
893	H	56.3	Low	62.9	Low	157 Å²	157	95.7 Å²	95.7	73%	0.727	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-72.4	-11.9	178.3	-66.8	-64.5	0	0	0	114.9	F891	F891-H893 PolarHBondContact O-N 3.01Å; F891-H893 VanDerWaalsContact O-N 3.17Å
894	V	55.3	Low	63	Low	85 Å²	85	97.1 Å²	97.1	52%	0.515	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-81.3	-21.1	175.9	-174.5	0	0	0	0	111.7	F891 V892 D896 L1025	F891-V894 HydrophobicContact CB-CB 4.47Å; F891-V894 HydrophobicContact CB-CG2 3.96Å; F891-V894 HydrophobicContact CD1-CG2 3.9Å; F891-V894 HydrophobicContact CG-CG2 4.43Å; F891-V894 WeakPolarHBondContact O-CB 3.43Å; F891-V894 PolarHBondContact O-N 2.93Å; V892-V894 VanDerWaalsContact C-N 3.27Å; V892-V894 PolarHBondContact O-N 3.17Å; V894-D896 VanDerWaalsContact C-N 3.34Å; V894-L1025 HydrophobicContact CG1-CD2 4.05Å
895	L	54.7	Low	63.4	Low	97 Å²	97	92.8 Å²	92.8	51%	0.508	48%	0.478	S	S	.	.	S	Bend	trans	-84.7	-7.7	177.7	-62.9	173.9	0	0	0	113.3	I883 V892	I883-L895 HydrophobicContact CG2-CD1 4.15Å; V892-L895 PolarHBondContact O-N 3.17Å
896	D	48.3	Very low	63.5	Low	120 Å²	120	93.2 Å²	93.2	64%	0.642	49%	0.488	S	S	*	.	S	Bend	trans	-111.7	151.8	172.9	-161.6	-1.5	0	0	0	110.1	V894 S898	V894-D896 VanDerWaalsContact C-N 3.34Å; D896-S898 VanDerWaalsContact C-N 3.32Å; D896-S898 PolarHBondContact O-N 3.03Å
897	H	47.6	Very low	63.7	Low	175 Å²	175	96.6 Å²	96.6	81%	0.81	51%	0.506	S	S	*	.			trans	-80.4	64.9	-159.9	-69.4	-56.3	0	0	0	114.7
898	S	51.4	Low	64.1	Low	55 Å²	55	94.8 Å²	94.8	39%	0.385	50%	0.499	S	S	.	.			trans	-89	-11.1	-172.5	-154.4	0	0	0	0	116.3	D896 R900 N901	D896-S898 VanDerWaalsContact C-N 3.32Å; D896-S898 PolarHBondContact O-N 3.03Å; S898-R900 PolarHBondContact O-N 2.95Å; S898-R900 VanDerWaalsContact O-N 3.11Å; S898-N901 PolarHBondContact O-N 2.83Å
899	S	52.7	Low	64.6	Low	84 Å²	84	88.1 Å²	88.1	59%	0.587	47%	0.465	S	S	*	.	H	α-helix	trans	-53.1	-37.8	-176.9	55.7	0	0	0	0	113.8	N901 Q902 E903	S899-N901 PolarHBondContact O-N 3.12Å; S899-Q902 PolarHBondContact O-N 2.74Å; S899-E903 PolarHBondContact O-N 3.39Å
900	R	49.3	Very low	64.8	Low	180 Å²	180	87.1 Å²	87.1	68%	0.679	47%	0.469	S	S	*	.	H	α-helix	trans	-65.6	-1.4	178.3	-159.9	179.7	176	-158.9	-0.7	114.6	S898 K904	S898-R900 PolarHBondContact O-N 2.95Å; S898-R900 VanDerWaalsContact O-N 3.11Å; R900-K904 WeakPolarHBondContact O-CD 2.94Å; R900-K904 WeakPolarHBondContact O-CE 3.46Å; R900-K904 WeakPolarHBondContact O-CG 3.47Å; R900-K904 PolarHBondContact O-NZ 3.27Å
901	N	58.8	Low	65.7	Low	94 Å²	94	90 Å²	90	50%	0.503	47%	0.472	S	S	.	.	H	α-helix	trans	-103.2	-26.6	169.6	-70	-27.4	0	0	0	112.7	S898 S899 K904 V905	S898-N901 PolarHBondContact O-N 2.83Å; S899-N901 PolarHBondContact O-N 3.12Å; N901-K904 PolarHBondContact OD1-NZ 3.43Å; N901-V905 WeakPolarHBondContact O-CG2 3.44Å
902	Q	66	Low	66.4	Low	75 Å²	75	89.4 Å²	89.4	35%	0.35	47%	0.47	S	S	.	.	H	α-helix	trans	-75.9	-42.6	176.9	-63.4	169	-24.8	0	0	110.7	S899 K904 V905 A906 V1018	S899-Q902 PolarHBondContact O-N 2.74Å; Q902-K904 VanDerWaalsContact C-N 3.34Å; Q902-K904 PolarHBondContact O-N 3.37Å; Q902-V905 WeakPolarHBondContact O-CB 3.3Å; Q902-V905 PolarHBondContact O-N 2.98Å; Q902-A906 PolarHBondContact O-N 3.06Å; Q902-A906 VanDerWaalsContact O-N 3.16Å; Q902-V1018 HydrophobicContact CG-CG1 4.41Å; Q902-V1018 HydrophobicContact CG-CG2 3.97Å
903	E	66.8	Low	67.6	Low	122 Å²	122	89 Å²	89	57%	0.57	47%	0.467	S	S	*	.	H	α-helix	trans	-49.5	-51.1	173.2	-168.6	172.2	-138.9	0	0	111.6	S899 V905 A906 D907	S899-E903 PolarHBondContact O-N 3.39Å; E903-V905 VanDerWaalsContact C-N 3.26Å; E903-V905 PolarHBondContact O-N 3.18Å; E903-A906 WeakPolarHBondContact O-CB 3.41Å; E903-A906 PolarHBondContact O-N 2.91Å; E903-D907 PolarHBondContact O-N 3.43Å
904	K	75.3	Confident	68.7	Low	111 Å²	111	85.9 Å²	85.9	48%	0.483	45%	0.454	S	S	.	.	H	α-helix	trans	-62.1	-25.3	176.7	-61.8	173.6	-168.9	143.7	0	114.9	R900 N901 Q902 G908	R900-K904 WeakPolarHBondContact O-CD 2.94Å; R900-K904 WeakPolarHBondContact O-CE 3.46Å; R900-K904 WeakPolarHBondContact O-CG 3.47Å; R900-K904 PolarHBondContact O-NZ 3.27Å; N901-K904 PolarHBondContact OD1-NZ 3.43Å; Q902-K904 VanDerWaalsContact C-N 3.34Å; Q902-K904 PolarHBondContact O-N 3.37Å; K904-G908 PolarHBondContact O-N 2.93Å
905	V	81.4	Confident	69.9	Low	37 Å²	37	83 Å²	83	22%	0.224	44%	0.438	C	S	.	.	H	α-helix	trans	-79.5	-32.1	176.7	175	0	0	0	0	110.2	N901 Q902 E903 A909 M1011 R1014 L1015	N901-V905 WeakPolarHBondContact O-CG2 3.44Å; Q902-V905 WeakPolarHBondContact O-CB 3.3Å; Q902-V905 PolarHBondContact O-N 2.98Å; E903-V905 VanDerWaalsContact C-N 3.26Å; E903-V905 PolarHBondContact O-N 3.18Å; V905-A909 VanDerWaalsContact O-CB 3.3Å; V905-A909 WeakPolarHBondContact O-CB 3.46Å; V905-A909 PolarHBondContact O-N 3.48Å; V905-M1011 HydrophobicContact CG1-CB 4.03Å; V905-M1011 HydrophobicContact CG1-CG 4.35Å; V905-R1014 HydrophobicContact CG1-CB 4.33Å; V905-L1015 HydrophobicContact CB-CD2 4.4Å; V905-L1015 HydrophobicContact CG1-CD2 4.17Å; V905-L1015 HydrophobicContact CG1-CG 4.08Å
906	A	75	Confident	71.2	Confident	45 Å²	45	79 Å²	79	37%	0.372	42%	0.417	S	S	.	.	H	α-helix	trans	-68.7	-45.7	169.3	0	0	0	0	0	111.5	Q902 E903 G908 A909 L910 L1015	Q902-A906 PolarHBondContact O-N 3.06Å; Q902-A906 VanDerWaalsContact O-N 3.16Å; E903-A906 WeakPolarHBondContact O-CB 3.41Å; E903-A906 PolarHBondContact O-N 2.91Å; A906-G908 PolarHBondContact O-N 3.05Å; A906-A909 PolarHBondContact O-N 2.97Å; A906-L910 PolarHBondContact O-N 3.4Å; A906-L1015 HydrophobicContact CB-CD1 4.42Å; A906-L1015 HydrophobicContact CB-CD2 4.22Å
907	D	78.6	Confident	72.7	Confident	92 Å²	92	78.9 Å²	78.9	49%	0.492	41%	0.411	S	S	.	.	H	α-helix	trans	-57.8	-48.6	174.5	-62.9	-31.3	0	0	0	111.2	E903 A909 L910 D911	E903-D907 PolarHBondContact O-N 3.43Å; D907-A909 VanDerWaalsContact C-N 3.34Å; D907-A909 PolarHBondContact O-N 3.36Å; D907-L910 WeakPolarHBondContact O-CB 3.37Å; D907-L910 PolarHBondContact O-N 3.19Å; D907-D911 PolarHBondContact O-N 2.94Å
908	G	83.3	Confident	74.2	Confident	21 Å²	21	78.3 Å²	78.3	22%	0.216	40%	0.402	C	S	.	.	H	α-helix	trans	-62.9	-36.2	177.9	0	0	0	0	0	113.7	K904 A906 D911 E912	K904-G908 PolarHBondContact O-N 2.93Å; A906-G908 PolarHBondContact O-N 3.05Å; G908-D911 PolarHBondContact O-N 2.65Å; G908-E912 WeakPolarHBondContact O-CG 3.26Å; G908-E912 PolarHBondContact O-N 3.3Å
909	A	83.4	Confident	75.3	Confident	10 Å²	10	77.8 Å²	77.8	8%	0.083	39%	0.394	C	S	.	.	H	α-helix	trans	-67	-39.2	174.5	0	0	0	0	0	111.6	V905 A906 D907 E912 V913 L1008 M1011 L1015	V905-A909 VanDerWaalsContact O-CB 3.3Å; V905-A909 WeakPolarHBondContact O-CB 3.46Å; V905-A909 PolarHBondContact O-N 3.48Å; A906-A909 PolarHBondContact O-N 2.97Å; D907-A909 VanDerWaalsContact C-N 3.34Å; D907-A909 PolarHBondContact O-N 3.36Å; A909-E912 PolarHBondContact O-N 3.27Å; A909-V913 WeakPolarHBondContact O-CG2 3.34Å; A909-V913 PolarHBondContact O-N 3.16Å; A909-L1008 HydrophobicContact CB-CD1 3.89Å; A909-M1011 HydrophobicContact CB-CB 3.98Å; A909-M1011 HydrophobicContact CB-SD 4.14Å; A909-M1011 PolarHBondContact N-SD 2.97Å; A909-M1011 VanDerWaalsContact N-SD 3.4Å; A909-L1015 HydrophobicContact CB-CD1 4.41Å
910	L	79.9	Confident	76.2	Confident	112 Å²	112	76.7 Å²	76.7	59%	0.586	38%	0.381	S	S	*	.	H	α-helix	trans	-65.4	-41.8	175.5	-175.2	62.7	0	0	0	111.6	A906 D907 V913 M914	A906-L910 PolarHBondContact O-N 3.4Å; D907-L910 WeakPolarHBondContact O-CB 3.37Å; D907-L910 PolarHBondContact O-N 3.19Å; L910-V913 PolarHBondContact O-N 3.02Å; L910-M914 WeakPolarHBondContact O-CB 3.4Å; L910-M914 VanDerWaalsContact O-CG 3.3Å; L910-M914 WeakPolarHBondContact O-CG 3.33Å; L910-M914 PolarHBondContact O-N 3.48Å
911	D	84.1	Confident	77	Confident	110 Å²	110	72.5 Å²	72.5	59%	0.588	37%	0.371	S	S	*	.	H	α-helix	trans	-61.2	-41.7	173.7	-95.7	-21.8	0	0	0	112.3	D907 G908 M914 S915	D907-D911 PolarHBondContact O-N 2.94Å; G908-D911 PolarHBondContact O-N 2.65Å; D911-M914 CarbonylContact O-C 3.58Å; D911-M914 PolarHBondContact O-N 3.17Å; D911-S915 VanDerWaalsContact O-CB 3.31Å; D911-S915 WeakPolarHBondContact O-CB 3.29Å; D911-S915 PolarHBondContact O-N 3.29Å
912	E	86.6	Confident	76.6	Confident	20 Å²	20	70 Å²	70	9%	0.093	37%	0.368	C	S	.	.	H	α-helix	trans	-67.7	-38.8	176.2	-69.9	-75.1	-132.7	0	0	112.2	G908 A909 M914 S915 L916 R1004 S1007 L1008 M1011	G908-E912 WeakPolarHBondContact O-CG 3.26Å; G908-E912 PolarHBondContact O-N 3.3Å; A909-E912 PolarHBondContact O-N 3.27Å; E912-M914 VanDerWaalsContact C-N 3.35Å; E912-S915 WeakPolarHBondContact O-CB 3.04Å; E912-S915 PolarHBondContact O-N 3.34Å; E912-L916 WeakPolarHBondContact O-CB 3.35Å; E912-L916 WeakPolarHBondContact O-CG 3.23Å; E912-L916 PolarHBondContact O-N 3.07Å; E912-R1004 IonicContact OE1-NH1 3.63Å; E912-R1004 PolarHBondContact OE1-NH1 3.12Å; E912-R1004 WeakPolarHBondContact OE2-CD 3.39Å; E912-R1004 IonicContact OE2-CZ 3.34Å; E912-R1004 IonicContact OE2-NE 2.97Å; E912-R1004 IonicContact OE2-NH1 2.78Å; E912-R1004 PolarHBondContact OE2-NH1 3.24Å; E912-S1007 VanDerWaalsContact OE1-CB 3.26Å; E912-S1007 WeakPolarHBondContact OE1-CB 3.41Å; E912-S1007 PolarHBondContact OE1-OG 3.41Å; E912-L1008 HydrophobicContact CB-CB 4.44Å; E912-M1011 HydrophobicContact CG-CE 3.95Å; E912-M1011 HydrophobicContact CG-SD 4.45Å
913	V	85	Confident	75.8	Confident	66 Å²	66	68.1 Å²	68.1	40%	0.4	36%	0.363	S	S	.	.	H	α-helix	trans	-61	-44	171.2	168.6	0	0	0	0	110.9	A909 L910 S915 L916 K917 L1008	A909-V913 WeakPolarHBondContact O-CG2 3.34Å; A909-V913 PolarHBondContact O-N 3.16Å; L910-V913 PolarHBondContact O-N 3.02Å; V913-S915 VanDerWaalsContact C-N 3.31Å; V913-S915 PolarHBondContact O-N 3.02Å; V913-L916 PolarHBondContact O-N 3.26Å; V913-K917 WeakPolarHBondContact O-CB 3.08Å; V913-K917 PolarHBondContact O-N 3.15Å; V913-L1008 HydrophobicContact CG2-CD1 3.86Å; V913-L1008 HydrophobicContact CG2-CD2 3.57Å; V913-L1008 HydrophobicContact CG2-CG 4.39Å
914	M	78.8	Confident	74.8	Confident	92 Å²	92	68.4 Å²	68.4	45%	0.453	37%	0.367	S	S	.	.	H	α-helix	trans	-71.6	-25.6	177.5	-68.9	-68.1	-85.3	0	0	112.4	L910 D911 E912 K917 R918	L910-M914 WeakPolarHBondContact O-CB 3.4Å; L910-M914 VanDerWaalsContact O-CG 3.3Å; L910-M914 WeakPolarHBondContact O-CG 3.33Å; L910-M914 PolarHBondContact O-N 3.48Å; D911-M914 CarbonylContact O-C 3.58Å; D911-M914 PolarHBondContact O-N 3.17Å; E912-M914 VanDerWaalsContact C-N 3.35Å; M914-K917 HydrophobicContact SD-CD 4.25Å; M914-R918 WeakPolarHBondContact O-CG 3.37Å; M914-R918 PolarHBondContact O-N 3.05Å; M914-R918 PolarHBondContact O-NE 2.88Å
915	S	80.1	Confident	72.9	Confident	24 Å²	24	67.9 Å²	67.9	17%	0.168	38%	0.378	C	S	.	.	H	α-helix	trans	-69.7	-51.6	170.1	-167.8	0	0	0	0	111.3	D911 E912 V913 K917 R918 L919	D911-S915 VanDerWaalsContact O-CB 3.31Å; D911-S915 WeakPolarHBondContact O-CB 3.29Å; D911-S915 PolarHBondContact O-N 3.29Å; E912-S915 WeakPolarHBondContact O-CB 3.04Å; E912-S915 PolarHBondContact O-N 3.34Å; V913-S915 VanDerWaalsContact C-N 3.31Å; V913-S915 PolarHBondContact O-N 3.02Å; S915-K917 VanDerWaalsContact C-N 3.34Å; S915-K917 PolarHBondContact O-N 3.04Å; S915-R918 PolarHBondContact O-N 2.95Å; S915-R918 VanDerWaalsContact O-N 3.12Å; S915-L919 PolarHBondContact O-N 3.33Å
916	L	83.8	Confident	70.7	Confident	13 Å²	13	74 Å²	74	7%	0.068	41%	0.408	C	S	.	.	H	α-helix	trans	-56.1	-45.6	173.6	-79.7	164.9	0	0	0	111.9	E912 V913 R918 L919 L920 V1001 R1004 L1005 L1008	E912-L916 WeakPolarHBondContact O-CB 3.35Å; E912-L916 WeakPolarHBondContact O-CG 3.23Å; E912-L916 PolarHBondContact O-N 3.07Å; V913-L916 PolarHBondContact O-N 3.26Å; L916-R918 VanDerWaalsContact C-N 3.31Å; L916-R918 PolarHBondContact O-N 3.07Å; L916-L919 PolarHBondContact O-N 3.46Å; L916-L920 WeakPolarHBondContact O-CB 3.37Å; L916-L920 VanDerWaalsContact O-CG 3.3Å; L916-L920 WeakPolarHBondContact O-CG 3.49Å; L916-L920 PolarHBondContact O-N 2.88Å; L916-V1001 HydrophobicContact CD2-CB 4.42Å; L916-V1001 HydrophobicContact CD2-CG1 4.04Å; L916-V1001 HydrophobicContact CD2-CG2 4.4Å; L916-R1004 HydrophobicContact CD1-CB 4.26Å; L916-R1004 HydrophobicContact CD2-CB 3.6Å; L916-R1004 HydrophobicContact CG-CB 3.79Å; L916-L1005 HydrophobicContact CD1-CD2 4.08Å; L916-L1005 HydrophobicContact CD1-CG 4.22Å; L916-L1005 HydrophobicContact CD2-CG 4.18Å; L916-L1008 HydrophobicContact CD1-CD2 3.88Å
917	K	78.8	Confident	68.5	Low	118 Å²	118	77.5 Å²	77.5	51%	0.513	43%	0.43	S	S	.	.	H	α-helix	trans	-56.6	-43.4	175.8	-175.4	173.5	-179.6	179.4	0	111.8	V913 M914 S915 I921	V913-K917 WeakPolarHBondContact O-CB 3.08Å; V913-K917 PolarHBondContact O-N 3.15Å; M914-K917 HydrophobicContact SD-CD 4.25Å; S915-K917 VanDerWaalsContact C-N 3.34Å; S915-K917 PolarHBondContact O-N 3.04Å; K917-I921 HydrophobicContact CD-CD1 4.4Å; K917-I921 HydrophobicContact CG-CD1 3.63Å; K917-I921 HydrophobicContact CG-CG1 4.46Å; K917-I921 VanDerWaalsContact O-CB 3.28Å; K917-I921 WeakPolarHBondContact O-CB 3.45Å; K917-I921 VanDerWaalsContact O-CG1 3.23Å; K917-I921 WeakPolarHBondContact O-CG1 3.02Å; K917-I921 PolarHBondContact O-N 3.07Å
918	R	79.4	Confident	66.2	Low	164 Å²	164	82.1 Å²	82.1	62%	0.619	45%	0.449	S	S	*	.	H	α-helix	trans	-68.4	-43.6	176.3	-75.9	173.8	-72.6	-178.9	-2.6	112.6	M914 S915 L916 L920 G922	M914-R918 WeakPolarHBondContact O-CG 3.37Å; M914-R918 PolarHBondContact O-N 3.05Å; M914-R918 PolarHBondContact O-NE 2.88Å; S915-R918 PolarHBondContact O-N 2.95Å; S915-R918 VanDerWaalsContact O-N 3.12Å; L916-R918 VanDerWaalsContact C-N 3.31Å; L916-R918 PolarHBondContact O-N 3.07Å; R918-L920 VanDerWaalsContact C-N 3.33Å; R918-L920 PolarHBondContact O-N 2.84Å; R918-G922 PolarHBondContact O-N 3.48Å
919	L	75.3	Confident	63.6	Low	43 Å²	43	88.1 Å²	88.1	23%	0.225	48%	0.476	C	S	.	.	H	α-helix	trans	-60.4	-40.7	177.4	-80.2	161.9	0	0	0	112.5	S915 L916 S923 E1000 V1001 R1004	S915-L919 PolarHBondContact O-N 3.33Å; L916-L919 PolarHBondContact O-N 3.46Å; L919-S923 PolarHBondContact O-OG 3.41Å; L919-E1000 HydrophobicContact CD1-CG 3.85Å; L919-E1000 HydrophobicContact CD2-CG 4.21Å; L919-V1001 HydrophobicContact CB-CG2 4.19Å; L919-V1001 HydrophobicContact CD1-CG2 4.49Å; L919-R1004 HydrophobicContact CD1-CG 4.17Å
920	L	71.7	Confident	60.9	Low	62 Å²	62	93.5 Å²	93.5	33%	0.325	51%	0.513	S	S	.	.	H	α-helix	trans	-77.9	-47.3	-179.3	-65.5	168.9	0	0	0	111.7	L916 R918 G922 S923 L991 L993 V1001	L916-L920 WeakPolarHBondContact O-CB 3.37Å; L916-L920 VanDerWaalsContact O-CG 3.3Å; L916-L920 WeakPolarHBondContact O-CG 3.49Å; L916-L920 PolarHBondContact O-N 2.88Å; R918-L920 VanDerWaalsContact C-N 3.33Å; R918-L920 PolarHBondContact O-N 2.84Å; L920-G922 VanDerWaalsContact C-N 3.29Å; L920-G922 PolarHBondContact O-N 3.45Å; L920-S923 WeakPolarHBondContact O-CB 3.49Å; L920-S923 PolarHBondContact O-N 2.94Å; L920-S923 VanDerWaalsContact O-N 3.09Å; L920-S923 PolarHBondContact O-OG 3.39Å; L920-S923 VanDerWaalsContact O-OG 3.09Å; L920-L991 HydrophobicContact CD2-CD2 3.67Å; L920-L993 HydrophobicContact CD2-CD1 4.31Å; L920-V1001 HydrophobicContact CD2-CG1 4.48Å; L920-V1001 HydrophobicContact CD2-CG2 4.24Å
921	I	64.8	Low	58.4	Low	91 Å²	91	96.5 Å²	96.5	47%	0.467	52%	0.524	S	S	.	.	H	α-helix	trans	-65.6	-32.4	178.7	-66.9	174.9	0	0	0	111.7	K917 S923 I924	K917-I921 HydrophobicContact CD-CD1 4.4Å; K917-I921 HydrophobicContact CG-CD1 3.63Å; K917-I921 HydrophobicContact CG-CG1 4.46Å; K917-I921 VanDerWaalsContact O-CB 3.28Å; K917-I921 WeakPolarHBondContact O-CB 3.45Å; K917-I921 VanDerWaalsContact O-CG1 3.23Å; K917-I921 WeakPolarHBondContact O-CG1 3.02Å; K917-I921 PolarHBondContact O-N 3.07Å; I921-S923 PolarHBondContact O-N 3.36Å; I921-I924 HydrophobicContact CB-CD1 4.5Å; I921-I924 HydrophobicContact CG1-CD1 4.39Å; I921-I924 WeakPolarHBondContact O-CG1 3.48Å; I921-I924 PolarHBondContact O-N 2.93Å
922	G	51.5	Low	56	Low	42 Å²	42	97 Å²	97	43%	0.433	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	8.7	171.6	0	0	0	0	0	115.4	R918 L920 R997	R918-G922 PolarHBondContact O-N 3.48Å; L920-G922 VanDerWaalsContact C-N 3.29Å; L920-G922 PolarHBondContact O-N 3.45Å; G922-R997 PolarHBondContact O-NH1 2.94Å
923	S	49	Very low	53.1	Low	35 Å²	35	105.3 Å²	105.3	25%	0.245	57%	0.572	C	S	.	*	T	Hydrogen-bonded Turn	trans	-104.4	-12.1	172.9	-45.9	0	0	0	0	113.3	L919 L920 I921 S925 L993	L919-S923 PolarHBondContact O-OG 3.41Å; L920-S923 WeakPolarHBondContact O-CB 3.49Å; L920-S923 PolarHBondContact O-N 2.94Å; L920-S923 VanDerWaalsContact O-N 3.09Å; L920-S923 PolarHBondContact O-OG 3.39Å; L920-S923 VanDerWaalsContact O-OG 3.09Å; I921-S923 PolarHBondContact O-N 3.36Å; S923-S925 PolarHBondContact O-N 3.16Å; S923-L993 WeakPolarHBondContact OG-CD2 3.39Å
924	I	45.1	Very low	50.4	Low	128 Å²	128	111.2 Å²	111.2	66%	0.656	60%	0.595	S	S	*	*	S	Bend	trans	-97.1	16.6	-167.5	-34.9	171.3	0	0	0	112.5	I921	I921-I924 HydrophobicContact CB-CD1 4.5Å; I921-I924 HydrophobicContact CG1-CD1 4.39Å; I921-I924 WeakPolarHBondContact O-CG1 3.48Å; I921-I924 PolarHBondContact O-N 2.93Å
925	S	35.8	Very low	48	Very low	101 Å²	101	115.5 Å²	115.5	71%	0.706	61%	0.614	S	S	*	*	S	Bend	trans	-144.5	7.7	-170.1	-51.7	0	0	0	0	116.3	S923	S923-S925 PolarHBondContact O-N 3.16Å
926	L	34.4	Very low	45.5	Very low	165 Å²	165	122.7 Å²	122.7	86%	0.864	65%	0.645	S	S	*	*			trans	-146	82	179	-74.1	177.8	0	0	0	111.9
927	S	29.8	Very low	42.7	Very low	118 Å²	118	131.5 Å²	131.5	83%	0.825	69%	0.685	S	S	*	*			trans	-160.8	51.3	166.4	69	0	0	0	0	113.3
928	E	29.3	Very low	40.3	Very low	190 Å²	190	134.8 Å²	134.8	89%	0.888	70%	0.702	S	S	*	*	S	Bend	trans	-127.2	133.2	159.9	-75.3	-172.6	135.7	0	0	109.1
929	D	28.4	Very low	37.8	Very low	147 Å²	147	136.1 Å²	136.1	79%	0.786	72%	0.716	S	S	*	*			trans	31.7	134.7	175.4	-63	-23.9	0	0	0	123
930	S	28	Very low	35.3	Very low	123 Å²	123	142.6 Å²	142.6	86%	0.86	75%	0.745	S	S	*	*			trans	-146.7	67.9	163	-68.1	0	0	0	0	109.5
931	Q	27.4	Very low	34.1	Very low	175 Å²	175	144.6 Å²	144.6	82%	0.818	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-94.9	118.9	159.8	-68.6	-164.1	-101.6	0	0	109
932	P	32.7	Very low	32.2	Very low	119 Å²	119	149.2 Å²	149.2	77%	0.773	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-79.4	144.1	159.8	32.9	-30.8	0	0	0	109.9
933	E	26.2	Very low	31	Very low	196 Å²	196	156.7 Å²	156.7	92%	0.916	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-77.9	147.3	172.9	-63.6	176.5	129.7	0	0	110.9
934	E	28.9	Very low	30.7	Very low	189 Å²	189	160.9 Å²	160.9	88%	0.883	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-103.2	117.6	174.5	-67.3	-174.6	148.8	0	0	111.1
935	E	27.8	Very low	29.8	Very low	182 Å²	182	159 Å²	159	85%	0.85	83%	0.827	S	S	*	*			trans	-141.5	104	149.6	-74.8	-157.5	156.4	0	0	106.2
936	H	26.5	Very low	29.5	Very low	176 Å²	176	160.8 Å²	160.8	82%	0.815	83%	0.828	S	S	*	*				99.7	100.5	77.6	-94.5	-48.3	0	0	0	112.2
937	E	26.5	Very low	29.3	Very low	197 Å²	197	161.3 Å²	161.3	92%	0.921	83%	0.826	S	S	*	*			trans	-142.8	165.2	148.8	-126.7	171.8	-153.7	0	0	109
938	E	28.1	Very low	29.3	Very low	187 Å²	187	160.3 Å²	160.3	87%	0.874	82%	0.815	S	S	*	*			trans	-93.2	145.1	-153.1	-53.8	178.6	113.1	0	0	115.3
939	E	26.2	Very low	29.1	Very low	192 Å²	192	160.2 Å²	160.2	90%	0.897	82%	0.815	S	S	*	*				-171.1	156.8	116	-104.4	-176.6	164.3	0	0	113.1
940	Q	23.4	Very low	29.1	Very low	179 Å²	179	157.6 Å²	157.6	84%	0.836	81%	0.813	S	S	*	*			trans	-101.4	-177.6	169.4	-54.1	-172	1.9	0	0	108.7
941	P	45.4	Very low	30	Very low	105 Å²	105	156.6 Å²	156.6	68%	0.682	80%	0.804	S	S	*	*			cis	-145.5	-166.7	8.5	32.4	-5.5	0	0	0	116.9
942	E	26.2	Very low	30.1	Very low	187 Å²	187	156.5 Å²	156.5	87%	0.874	80%	0.803	S	S	*	*			trans	104.3	138.9	152.1	-48.8	-141.3	126.7	0	0	120.7
943	K	25	Very low	31.1	Very low	199 Å²	199	155.6 Å²	155.6	87%	0.865	80%	0.798	S	S	*	*			trans	-98.9	178.8	172.5	-67.6	179	172.2	-175.6	0	108.5
944	P	43.3	Very low	31.2	Very low	124 Å²	124	150.8 Å²	150.8	81%	0.805	79%	0.792	S	S	*	*			cis	-127.3	-148.8	6.6	40.5	-18.2	0	0	0	110.9
945	S	26.3	Very low	31.3	Very low	89 Å²	89	149.6 Å²	149.6	62%	0.622	79%	0.786	S	S	*	*			cis	-158.5	149.4	4.6	49.4	0	0	0	0	112.6
946	D	29.8	Very low	31.4	Very low	138 Å²	138	148.7 Å²	148.7	74%	0.738	78%	0.782	S	S	*	*				37.3	126.4	129.8	-52.3	-16.6	0	0	0	122.1
947	E	29.8	Very low	31.6	Very low	176 Å²	176	145.5 Å²	145.5	82%	0.822	78%	0.779	S	S	*	*				71	153.1	128.5	-66.9	-165.8	177	0	0	120.4
948	T	29.3	Very low	31.8	Very low	97 Å²	97	144.7 Å²	144.7	60%	0.595	78%	0.775	S	S	*	*			cis	-165.9	159.5	-15	-98.4	0	0	0	0	110.1
949	E	26.5	Very low	31.6	Very low	188 Å²	188	140.2 Å²	140.2	88%	0.879	76%	0.764	S	S	*	*			trans	68.7	153.5	162.5	-86.6	163.9	172.9	0	0	121.7
950	A	26.9	Very low	31.7	Very low	91 Å²	91	137 Å²	137	75%	0.752	76%	0.757	S	S	*	*			trans	-116.4	-133	167.9	0	0	0	0	0	106.6
951	P	47	Very low	31.9	Very low	102 Å²	102	135.9 Å²	135.9	66%	0.662	76%	0.757	S	S	*	*			cis	-140.7	-169.7	-8.8	42	-21.3	0	0	0	115.7
952	Q	30.9	Very low	31	Very low	173 Å²	173	135.3 Å²	135.3	81%	0.808	76%	0.755	S	S	*	*			trans	71.1	168.7	143.1	-85.6	176.2	-4.8	0	0	121
953	P	53	Low	30.9	Very low	101 Å²	101	129.3 Å²	129.3	66%	0.656	74%	0.744	S	S	*	*			cis	-135.6	165.5	-30.1	34.1	-18.1	0	0	0	115.1
954	A	28.2	Very low	31	Very low	95 Å²	95	129.8 Å²	129.8	79%	0.785	74%	0.742	S	S	*	*			trans	-166.4	94.9	137.4	0	0	0	0	0	111.3
955	E	30.5	Very low	30.2	Very low	164 Å²	164	130.4 Å²	130.4	77%	0.766	74%	0.736	S	S	*	*				28.1	141	124.6	-69.7	161.3	-153.2	0	0	120.3
956	E	30.2	Very low	30.1	Very low	163 Å²	163	134 Å²	134	76%	0.762	74%	0.743	S	S	*	*			cis	-168.4	150	-1.2	-133.5	179.4	-166.5	0	0	112.5
957	S	30.7	Very low	29.9	Very low	109 Å²	109	132.3 Å²	132.3	76%	0.762	74%	0.737	S	S	*	*			trans	59.6	153.7	150.4	72.5	0	0	0	0	121.6
958	E	30.6	Very low	29.7	Very low	179 Å²	179	131.3 Å²	131.3	84%	0.836	74%	0.737	S	S	*	*			cis	-163.8	164.9	-33.6	-152.8	-178.4	-150.9	0	0	110
959	C	25.4	Very low	29.6	Very low	93 Å²	93	131.1 Å²	131.1	63%	0.628	75%	0.746	S	S	*	*			trans	62.7	112.4	151	-87.9	0	0	0	0	124.5
960	T	27.4	Very low	29.5	Very low	124 Å²	124	127.6 Å²	127.6	76%	0.761	74%	0.741	S	S	*	*				67.7	115	125.4	58.4	0	0	0	0	124.2
961	D	27.1	Very low	30.2	Very low	157 Å²	157	129.4 Å²	129.4	84%	0.84	75%	0.745	S	S	*	*				88.7	154.5	114.4	-156.7	34.7	0	0	0	122.6
962	S	27.5	Very low	29.1	Very low	92 Å²	92	129.7 Å²	129.7	64%	0.643	75%	0.75	S	S	*	*			trans	-34.6	136.6	178.5	161.7	0	0	0	0	119.2
963	G	24.2	Very low	29	Very low	61 Å²	61	128.4 Å²	128.4	63%	0.629	75%	0.754	S	S	*	*				135.5	122.3	106.6	0	0	0	0	0	120.6
964	Y	25.5	Very low	27.8	Very low	209 Å²	209	132.6 Å²	132.6	82%	0.82	76%	0.762	S	S	*	*				66.3	136.8	126.2	-80.4	-73.9	0	0	0	124.2
965	M	26.7	Very low	27.7	Very low	138 Å²	138	136.2 Å²	136.2	68%	0.68	76%	0.763	S	S	*	*			trans	74.1	121	159.1	-61.4	-53.2	176.9	0	0	118.1
966	Q	25.8	Very low	27.6	Very low	165 Å²	165	136.2 Å²	136.2	77%	0.771	77%	0.768	S	S	*	*				79.2	144.5	81.8	-133.1	176.5	43.1	0	0	110.5
967	V	25.5	Very low	27.4	Very low	102 Å²	102	132 Å²	132	62%	0.618	77%	0.769	S	S	*	*			cis	-166.5	136.4	49.7	174.5	0	0	0	0	110.9
968	N	24.6	Very low	27.3	Very low	155 Å²	155	131.9 Å²	131.9	83%	0.829	77%	0.774	S	S	*	*			trans	54.7	161.3	159.7	-56.2	-13.1	0	0	0	118.9
969	A	26.7	Very low	27.3	Very low	93 Å²	93	133.5 Å²	133.5	77%	0.769	78%	0.778	S	S	*	*			cis	-151.7	159.4	13.3	0	0	0	0	0	112.4
970	S	25.5	Very low	27.5	Very low	113 Å²	113	137.7 Å²	137.7	79%	0.79	79%	0.789	S	S	*	*			trans	-75.6	162.2	163.6	-41.1	0	0	0	0	111.2
971	P	40.2	Very low	27.8	Very low	129 Å²	129	140.7 Å²	140.7	84%	0.838	79%	0.794	S	S	*	*				-141.3	168.3	85.2	38.6	-24.1	0	0	0	115.8
972	S	25.3	Very low	27.9	Very low	108 Å²	108	141.1 Å²	141.1	76%	0.755	80%	0.796	S	S	*	*			trans	-66.6	149.4	-178.5	55.1	0	0	0	0	116.3
973	T	28.6	Very low	28.2	Very low	147 Å²	147	145.9 Å²	145.9	90%	0.902	81%	0.808	S	S	*	*				-145.9	152.8	130	13.2	0	0	0	0	110.8
974	K	27.5	Very low	28.6	Very low	188 Å²	188	150.5 Å²	150.5	82%	0.817	82%	0.818	S	S	*	*			trans	-81	176.7	167.7	-50.3	177.3	-176.9	179.5	0	108.5
975	E	27.1	Very low	28.8	Very low	172 Å²	172	143.8 Å²	143.8	80%	0.804	81%	0.813	S	S	*	*			cis	-145.3	-177.2	26.1	-67.3	-179.2	139.1	0	0	112.4
976	D	27.2	Very low	29	Very low	164 Å²	164	141.4 Å²	141.4	88%	0.877	81%	0.81	S	S	*	*			trans	-45.4	158	175.1	-45.4	-54.2	0	0	0	115.2
977	G	26.4	Very low	29.5	Very low	75 Å²	75	141.8 Å²	141.8	77%	0.773	82%	0.815	S	S	*	*			cis	148.7	140.3	-3.6	0	0	0	0	0	112.6
978	A	28.7	Very low	30	Very low	105 Å²	105	141.6 Å²	141.6	87%	0.868	82%	0.818	S	S	*	*			trans	-154.1	141.1	166.5	0	0	0	0	0	108.4
979	K	29.7	Very low	30.6	Very low	214 Å²	214	138.5 Å²	138.5	93%	0.93	82%	0.815	S	S	*	*			trans	-84.4	137.9	174.3	-64.5	-178.6	178.7	-175.5	0	109.4
980	Q	30.6	Very low	31.6	Very low	181 Å²	181	139.7 Å²	139.7	85%	0.846	81%	0.814	S	S	*	*			trans	-120	148.5	156.8	-166.4	160	-10.5	0	0	106.9
981	E	33	Very low	33	Very low	187 Å²	187	139 Å²	139	87%	0.874	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-91.3	116.3	-171.5	-66.2	164.2	148.5	0	0	108.7
982	D	30	Very low	33.8	Very low	165 Å²	165	139.4 Å²	139.4	88%	0.882	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-82.6	136.3	174.7	-71.8	-50.9	0	0	0	110.2
983	E	34.1	Very low	35.8	Very low	193 Å²	193	135.3 Å²	135.3	90%	0.902	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-75	155.8	-176.9	-71	-171.7	119	0	0	113.7	G985	E983-G985 PolarHBondContact O-N 3.28Å
984	D	31	Very low	38.3	Very low	157 Å²	157	131.4 Å²	131.4	84%	0.84	75%	0.749	S	S	*	*			trans	-73	114.6	-174.1	-168.9	10.5	0	0	0	112.5	S986	D984-S986 PolarHBondContact O-N 2.69Å
985	G	31.3	Very low	40.4	Very low	68 Å²	68	127.6 Å²	127.6	70%	0.701	73%	0.734	S	S	*	*			trans	-76.3	57.4	-173	0	0	0	0	0	114.8	E983 I987	E983-G985 PolarHBondContact O-N 3.28Å; G985-I987 PolarHBondContact O-N 3Å; G985-I987 VanDerWaalsContact O-N 3.12Å
986	S	30.9	Very low	42.7	Very low	89 Å²	89	127 Å²	127	62%	0.622	73%	0.731	S	S	*	*			trans	-64.6	108.2	-179.2	-174.7	0	0	0	0	112.8	D984 S988	D984-S986 PolarHBondContact O-N 2.69Å; S986-S988 VanDerWaalsContact C-N 3.26Å; S986-S988 PolarHBondContact O-N 3.22Å; S986-S988 PolarHBondContact OG-OG 3.38Å
987	I	35.1	Very low	44.8	Very low	172 Å²	172	124 Å²	124	88%	0.882	71%	0.708	S	S	*	*			trans	-77.3	75.9	175.3	-51.7	179.3	0	0	0	109.7	G985 A989	G985-I987 PolarHBondContact O-N 3Å; G985-I987 VanDerWaalsContact O-N 3.12Å; I987-A989 PolarHBondContact O-N 2.96Å
988	S	35.7	Very low	47.3	Very low	98 Å²	98	124.8 Å²	124.8	69%	0.685	69%	0.688	S	S	*	*			trans	-82.3	108.6	175.1	-72.7	0	0	0	0	111.5	S986	S986-S988 VanDerWaalsContact C-N 3.26Å; S986-S988 PolarHBondContact O-N 3.22Å; S986-S988 PolarHBondContact OG-OG 3.38Å
989	A	38.8	Very low	49.9	Very low	91 Å²	91	123 Å²	123	75%	0.752	66%	0.664	S	S	*	*			trans	-69	134	168.8	0	0	0	0	0	110.5	I987 L991	I987-A989 PolarHBondContact O-N 2.96Å; A989-L991 PolarHBondContact O-N 3.4Å
990	P	46.4	Very low	52.5	Low	117 Å²	117	114.9 Å²	114.9	76%	0.76	63%	0.629	S	S	*	*			trans	-72.6	125.4	-173.8	27.7	-34.3	0	0	0	112.4	V992	P990-V992 PolarHBondContact O-N 3.06Å
991	L	55	Low	55.1	Low	100 Å²	100	107 Å²	107	52%	0.524	59%	0.593	S	S	.	*			trans	-71.4	108	178.7	-170.4	70.7	0	0	0	111.3	L920 A989 L993	L920-L991 HydrophobicContact CD2-CD2 3.67Å; A989-L991 PolarHBondContact O-N 3.4Å; L991-L993 VanDerWaalsContact C-N 3.32Å; L991-L993 HydrophobicContact CD2-CD1 4.24Å; L991-L993 HydrophobicContact CD2-CD2 3.91Å; L991-L993 HydrophobicContact CD2-CG 4.01Å; L991-L993 HydrophobicContact CG-CD2 4.09Å; L991-L993 HydrophobicContact CG-CG 4.11Å; L991-L993 PolarHBondContact O-N 3.04Å
992	V	57.7	Low	57.6	Low	137 Å²	137	101 Å²	101	83%	0.83	57%	0.571	S	S	*	*			trans	-78.8	77.7	-177.8	-171.6	0	0	0	0	111.2	P990	P990-V992 PolarHBondContact O-N 3.06Å
993	L	67.9	Low	60.4	Low	21 Å²	21	99.6 Å²	99.6	11%	0.11	55%	0.554	C	S	.	*			trans	-77	147.2	169.9	-61.6	179.9	0	0	0	111.6	L920 S923 L991 R998 V1001	L920-L993 HydrophobicContact CD2-CD1 4.31Å; S923-L993 WeakPolarHBondContact OG-CD2 3.39Å; L991-L993 VanDerWaalsContact C-N 3.32Å; L991-L993 HydrophobicContact CD2-CD1 4.24Å; L991-L993 HydrophobicContact CD2-CD2 3.91Å; L991-L993 HydrophobicContact CD2-CG 4.01Å; L991-L993 HydrophobicContact CG-CD2 4.09Å; L991-L993 HydrophobicContact CG-CG 4.11Å; L991-L993 PolarHBondContact O-N 3.04Å; L993-R998 HydrophobicContact CB-CB 4.34Å; L993-R998 PolarHBondContact O-NH1 3.01Å; L993-R998 PolarHBondContact O-NH2 3.23Å; L993-V1001 HydrophobicContact CD1-CG2 4.25Å
994	S	79.9	Confident	63	Low	65 Å²	65	94 Å²	94	46%	0.455	52%	0.524	S	S	.	.			trans	-63.7	154	163.7	67.8	0	0	0	0	110.5	E996 R997 R998	S994-E996 PolarHBondContact O-N 2.96Å; S994-R997 PolarHBondContact O-N 3.17Å; S994-R997 WeakPolarHBondContact OG-CG 3.42Å; S994-R998 PolarHBondContact O-N 3.1Å
995	Q	71.7	Confident	65.7	Low	108 Å²	108	90.8 Å²	90.8	51%	0.505	51%	0.507	S	S	.	.	H	α-helix	trans	-59.1	-45.7	-173.8	-176.7	56.2	29.7	0	0	112.6	R997 R998 D999	Q995-R997 VanDerWaalsContact C-N 3.35Å; Q995-R997 PolarHBondContact O-N 2.97Å; Q995-R998 WeakPolarHBondContact O-CB 3.46Å; Q995-R998 PolarHBondContact O-N 2.99Å; Q995-D999 PolarHBondContact NE2-OD1 3.16Å; Q995-D999 PolarHBondContact NE2-OD2 3.34Å; Q995-D999 VanDerWaalsContact O-CG 3.28Å; Q995-D999 PolarHBondContact O-N 3Å
996	E	74.9	Confident	68.5	Low	159 Å²	159	92 Å²	92	74%	0.743	50%	0.497	S	S	*	.	H	α-helix	trans	-60.6	-39.9	177	-174.6	176.4	-149.3	0	0	112.9	S994 D999 E1000	S994-E996 PolarHBondContact O-N 2.96Å; E996-D999 PolarHBondContact O-N 3.11Å; E996-E1000 PolarHBondContact O-N 3.31Å
997	R	72	Confident	71.3	Confident	101 Å²	101	89.2 Å²	89.2	38%	0.381	48%	0.478	S	S	.	.	H	α-helix	trans	-69.4	-37.7	174.7	-73.9	-174.6	-179.7	-163.4	3.6	112.3	G922 S994 Q995 D999 E1000 V1001	G922-R997 PolarHBondContact O-NH1 2.94Å; S994-R997 PolarHBondContact O-N 3.17Å; S994-R997 WeakPolarHBondContact OG-CG 3.42Å; Q995-R997 VanDerWaalsContact C-N 3.35Å; Q995-R997 PolarHBondContact O-N 2.97Å; R997-D999 VanDerWaalsContact C-N 3.34Å; R997-E1000 PolarHBondContact O-N 3.18Å; R997-V1001 WeakPolarHBondContact O-CB 3.48Å; R997-V1001 VanDerWaalsContact O-CG2 3.3Å; R997-V1001 WeakPolarHBondContact O-CG2 3.42Å; R997-V1001 PolarHBondContact O-N 3.49Å
998	R	79.8	Confident	74	Confident	92 Å²	92	82 Å²	82	35%	0.347	44%	0.441	S	S	.	.	H	α-helix	trans	-59.6	-46.4	173.1	-179.5	-177	-66.4	99.1	14.4	110.4	L993 S994 Q995 V1001 C1002	L993-R998 HydrophobicContact CB-CB 4.34Å; L993-R998 PolarHBondContact O-NH1 3.01Å; L993-R998 PolarHBondContact O-NH2 3.23Å; S994-R998 PolarHBondContact O-N 3.1Å; Q995-R998 WeakPolarHBondContact O-CB 3.46Å; Q995-R998 PolarHBondContact O-N 2.99Å; R998-V1001 PolarHBondContact O-N 2.99Å; R998-C1002 PolarHBondContact O-N 2.84Å; R998-C1002 PolarHBondContact O-SG 3.25Å
999	D	82.3	Confident	76.5	Confident	69 Å²	69	81.5 Å²	81.5	37%	0.369	43%	0.43	S	S	.	.	H	α-helix	trans	-71.5	-29.4	-178.6	-63.3	-27	0	0	0	112.9	Q995 E996 R997 R1003	Q995-D999 PolarHBondContact NE2-OD1 3.16Å; Q995-D999 PolarHBondContact NE2-OD2 3.34Å; Q995-D999 VanDerWaalsContact O-CG 3.28Å; Q995-D999 PolarHBondContact O-N 3Å; E996-D999 PolarHBondContact O-N 3.11Å; R997-D999 VanDerWaalsContact C-N 3.34Å; D999-R1003 WeakPolarHBondContact O-CG 3.49Å; D999-R1003 PolarHBondContact O-N 3.45Å; D999-R1003 PolarHBondContact O-NE 2.87Å; D999-R1003 VanDerWaalsContact O-NE 3.07Å
1000	E	84.6	Confident	78.9	Confident	43 Å²	43	81.8 Å²	81.8	20%	0.201	42%	0.416	C	S	.	.	H	α-helix	trans	-67.9	-48	166.6	-174.4	69.8	-151	0	0	111.6	L919 E996 R997 C1002 R1003 R1004	L919-E1000 HydrophobicContact CD1-CG 3.85Å; L919-E1000 HydrophobicContact CD2-CG 4.21Å; E996-E1000 PolarHBondContact O-N 3.31Å; R997-E1000 PolarHBondContact O-N 3.18Å; E1000-C1002 PolarHBondContact O-N 3.46Å; E1000-R1003 VanDerWaalsContact CA-NH2 3.33Å; E1000-R1003 PolarHBondContact O-N 2.95Å; E1000-R1003 IonicContact OE1-NH1 3.82Å; E1000-R1003 IonicContact OE2-CZ 2.73Å; E1000-R1003 IonicContact OE2-NH1 3.31Å; E1000-R1003 PolarHBondContact OE2-NH1 3.22Å; E1000-R1003 IonicContact OE2-NH2 3.01Å; E1000-R1003 PolarHBondContact OE2-NH2 3.18Å; E1000-R1004 HydrophobicContact CG-CG 4.33Å; E1000-R1004 WeakPolarHBondContact O-CB 3.29Å; E1000-R1004 WeakPolarHBondContact O-CG 3.35Å; E1000-R1004 PolarHBondContact O-N 3.47Å; E1000-R1004 IonicContact OE1-CZ 2.79Å; E1000-R1004 VanDerWaalsContact OE1-CZ 3.23Å; E1000-R1004 IonicContact OE1-NE 3.84Å; E1000-R1004 PolarHBondContact OE1-NE 2.96Å; E1000-R1004 IonicContact OE1-NH2 3.75Å; E1000-R1004 PolarHBondContact OE1-NH2 2.81Å
1001	V	84.4	Confident	80.8	Confident	14 Å²	14	77.8 Å²	77.8	9%	0.085	39%	0.387	C	S	.	.	H	α-helix	trans	-59.7	-42.9	179	165.4	0	0	0	0	111.6	L916 L919 L920 L993 R997 R998 R1004 L1005	L916-V1001 HydrophobicContact CD2-CB 4.42Å; L916-V1001 HydrophobicContact CD2-CG1 4.04Å; L916-V1001 HydrophobicContact CD2-CG2 4.4Å; L919-V1001 HydrophobicContact CB-CG2 4.19Å; L919-V1001 HydrophobicContact CD1-CG2 4.49Å; L920-V1001 HydrophobicContact CD2-CG1 4.48Å; L920-V1001 HydrophobicContact CD2-CG2 4.24Å; L993-V1001 HydrophobicContact CD1-CG2 4.25Å; R997-V1001 WeakPolarHBondContact O-CB 3.48Å; R997-V1001 VanDerWaalsContact O-CG2 3.3Å; R997-V1001 WeakPolarHBondContact O-CG2 3.42Å; R997-V1001 PolarHBondContact O-N 3.49Å; R998-V1001 PolarHBondContact O-N 2.99Å; V1001-R1004 PolarHBondContact O-N 3.11Å; V1001-L1005 HydrophobicContact CG1-CD1 3.92Å; V1001-L1005 WeakPolarHBondContact O-CG 3.48Å; V1001-L1005 PolarHBondContact O-N 3.42Å
1002	C	86.4	Confident	82.2	Confident	63 Å²	63	76.4 Å²	76.4	43%	0.426	38%	0.38	S	S	.	.	H	α-helix	trans	-60.4	-49.5	174.2	-67.9	0	0	0	0	111.9	R998 E1000 R1004 L1005 D1006	R998-C1002 PolarHBondContact O-N 2.84Å; R998-C1002 PolarHBondContact O-SG 3.25Å; E1000-C1002 PolarHBondContact O-N 3.46Å; C1002-R1004 VanDerWaalsContact C-N 3.27Å; C1002-R1004 PolarHBondContact O-N 2.96Å; C1002-L1005 PolarHBondContact O-N 3.44Å; C1002-L1005 VanDerWaalsContact O-N 3.16Å; C1002-D1006 PolarHBondContact O-N 3.43Å
1003	R	88.9	Confident	83.5	Confident	134 Å²	134	74.9 Å²	74.9	51%	0.506	36%	0.363	S	S	.	.	H	α-helix	trans	-60.6	-34.6	177.7	-76.8	-178.5	-72.8	105.8	-5.3	113	D999 E1000 S1007	D999-R1003 WeakPolarHBondContact O-CG 3.49Å; D999-R1003 PolarHBondContact O-N 3.45Å; D999-R1003 PolarHBondContact O-NE 2.87Å; D999-R1003 VanDerWaalsContact O-NE 3.07Å; E1000-R1003 VanDerWaalsContact CA-NH2 3.33Å; E1000-R1003 PolarHBondContact O-N 2.95Å; E1000-R1003 IonicContact OE1-NH1 3.82Å; E1000-R1003 IonicContact OE2-CZ 2.73Å; E1000-R1003 IonicContact OE2-NH1 3.31Å; E1000-R1003 PolarHBondContact OE2-NH1 3.22Å; E1000-R1003 IonicContact OE2-NH2 3.01Å; E1000-R1003 PolarHBondContact OE2-NH2 3.18Å; R1003-S1007 WeakPolarHBondContact O-CB 3.49Å; R1003-S1007 PolarHBondContact O-N 2.93Å
1004	R	88.1	Confident	84.2	Confident	75 Å²	75	80.3 Å²	80.3	28%	0.283	38%	0.382	S	S	.	.	H	α-helix	trans	-72.3	-37.5	176.3	-67.3	-75.9	168.7	-168.6	-8.3	112.3	E912 L916 L919 E1000 V1001 C1002 S1007 L1008	E912-R1004 IonicContact OE1-NH1 3.63Å; E912-R1004 PolarHBondContact OE1-NH1 3.12Å; E912-R1004 WeakPolarHBondContact OE2-CD 3.39Å; E912-R1004 IonicContact OE2-CZ 3.34Å; E912-R1004 IonicContact OE2-NE 2.97Å; E912-R1004 IonicContact OE2-NH1 2.78Å; E912-R1004 PolarHBondContact OE2-NH1 3.24Å; L916-R1004 HydrophobicContact CD1-CB 4.26Å; L916-R1004 HydrophobicContact CD2-CB 3.6Å; L916-R1004 HydrophobicContact CG-CB 3.79Å; L919-R1004 HydrophobicContact CD1-CG 4.17Å; E1000-R1004 HydrophobicContact CG-CG 4.33Å; E1000-R1004 WeakPolarHBondContact O-CB 3.29Å; E1000-R1004 WeakPolarHBondContact O-CG 3.35Å; E1000-R1004 PolarHBondContact O-N 3.47Å; E1000-R1004 IonicContact OE1-CZ 2.79Å; E1000-R1004 VanDerWaalsContact OE1-CZ 3.23Å; E1000-R1004 IonicContact OE1-NE 3.84Å; E1000-R1004 PolarHBondContact OE1-NE 2.96Å; E1000-R1004 IonicContact OE1-NH2 3.75Å; E1000-R1004 PolarHBondContact OE1-NH2 2.81Å; V1001-R1004 PolarHBondContact O-N 3.11Å; C1002-R1004 VanDerWaalsContact C-N 3.27Å; C1002-R1004 PolarHBondContact O-N 2.96Å; R1004-S1007 WeakPolarHBondContact O-CB 3.36Å; R1004-S1007 PolarHBondContact O-N 2.91Å; R1004-L1008 WeakPolarHBondContact O-CB 3.42Å; R1004-L1008 PolarHBondContact O-N 2.89Å
1005	L	88.1	Confident	84.4	Confident	90 Å²	90	79.9 Å²	79.9	47%	0.471	38%	0.375	S	S	.	.	H	α-helix	trans	-65.5	-43.2	172.5	-79.1	162.8	0	0	0	111.7	L916 V1001 C1002 S1007 L1008 L1009	L916-L1005 HydrophobicContact CD1-CD2 4.08Å; L916-L1005 HydrophobicContact CD1-CG 4.22Å; L916-L1005 HydrophobicContact CD2-CG 4.18Å; V1001-L1005 HydrophobicContact CG1-CD1 3.92Å; V1001-L1005 WeakPolarHBondContact O-CG 3.48Å; V1001-L1005 PolarHBondContact O-N 3.42Å; C1002-L1005 PolarHBondContact O-N 3.44Å; C1002-L1005 VanDerWaalsContact O-N 3.16Å; L1005-S1007 VanDerWaalsContact C-N 3.34Å; L1005-S1007 PolarHBondContact O-N 2.89Å; L1005-L1008 PolarHBondContact O-N 3.42Å; L1005-L1009 VanDerWaalsContact O-CB 3.29Å; L1005-L1009 WeakPolarHBondContact O-CB 3.3Å; L1005-L1009 PolarHBondContact O-N 3.41Å
1006	D	89.9	Confident	84.7	Confident	93 Å²	93	80 Å²	80	50%	0.497	38%	0.375	S	S	.	.	H	α-helix	trans	-64	-37.6	174.7	-74.7	-27.9	0	0	0	112.5	C1002 Q1010	C1002-D1006 PolarHBondContact O-N 3.43Å; D1006-Q1010 WeakPolarHBondContact O-CG 3.36Å; D1006-Q1010 PolarHBondContact O-N 2.92Å; D1006-Q1010 PolarHBondContact O-NE2 3.18Å
1007	S	90	Very high	84.9	Confident	32 Å²	32	74.6 Å²	74.6	22%	0.224	36%	0.358	C	S	.	.	H	α-helix	trans	-61.2	-52.7	173.3	-175.4	0	0	0	0	110.8	E912 R1003 R1004 L1005 L1009 Q1010 M1011	E912-S1007 VanDerWaalsContact OE1-CB 3.26Å; E912-S1007 WeakPolarHBondContact OE1-CB 3.41Å; E912-S1007 PolarHBondContact OE1-OG 3.41Å; R1003-S1007 WeakPolarHBondContact O-CB 3.49Å; R1003-S1007 PolarHBondContact O-N 2.93Å; R1004-S1007 WeakPolarHBondContact O-CB 3.36Å; R1004-S1007 PolarHBondContact O-N 2.91Å; L1005-S1007 VanDerWaalsContact C-N 3.34Å; L1005-S1007 PolarHBondContact O-N 2.89Å; S1007-L1009 PolarHBondContact O-N 2.92Å; S1007-Q1010 PolarHBondContact O-N 3.42Å; S1007-M1011 WeakPolarHBondContact O-CG 3.45Å; S1007-M1011 PolarHBondContact O-N 3.48Å; S1007-M1011 VanDerWaalsContact O-N 3.17Å
1008	L	90.6	Very high	85.3	Confident	20 Å²	20	71.8 Å²	71.8	11%	0.105	35%	0.352	C	S	.	.	H	α-helix	trans	-61.9	-42.9	178.9	178.2	59.5	0	0	0	112.4	A909 E912 V913 L916 R1004 L1005 Q1010 M1011 I1012	A909-L1008 HydrophobicContact CB-CD1 3.89Å; E912-L1008 HydrophobicContact CB-CB 4.44Å; V913-L1008 HydrophobicContact CG2-CD1 3.86Å; V913-L1008 HydrophobicContact CG2-CD2 3.57Å; V913-L1008 HydrophobicContact CG2-CG 4.39Å; L916-L1008 HydrophobicContact CD1-CD2 3.88Å; R1004-L1008 WeakPolarHBondContact O-CB 3.42Å; R1004-L1008 PolarHBondContact O-N 2.89Å; L1005-L1008 PolarHBondContact O-N 3.42Å; L1008-Q1010 VanDerWaalsContact C-N 3.32Å; L1008-Q1010 PolarHBondContact O-N 3.39Å; L1008-M1011 PolarHBondContact O-N 3.04Å; L1008-I1012 HydrophobicContact CD1-CD1 4.02Å; L1008-I1012 HydrophobicContact CD1-CG1 4.17Å; L1008-I1012 HydrophobicContact CG-CD1 3.85Å; L1008-I1012 HydrophobicContact CG-CG1 4.42Å; L1008-I1012 WeakPolarHBondContact O-CG1 3.29Å; L1008-I1012 PolarHBondContact O-N 3.03Å
1009	L	89.3	Confident	85.1	Confident	87 Å²	87	73.1 Å²	73.1	46%	0.455	36%	0.362	S	S	.	.	H	α-helix	trans	-59.8	-41.6	178.1	-178.5	61.8	0	0	0	111.7	L1005 S1007 M1011 I1012 Q1013	L1005-L1009 VanDerWaalsContact O-CB 3.29Å; L1005-L1009 WeakPolarHBondContact O-CB 3.3Å; L1005-L1009 PolarHBondContact O-N 3.41Å; S1007-L1009 PolarHBondContact O-N 2.92Å; L1009-M1011 VanDerWaalsContact C-N 3.33Å; L1009-M1011 PolarHBondContact O-N 3.38Å; L1009-I1012 PolarHBondContact O-N 2.66Å; L1009-Q1013 WeakPolarHBondContact O-CB 3.25Å; L1009-Q1013 VanDerWaalsContact O-CG 3.3Å; L1009-Q1013 WeakPolarHBondContact O-CG 3.49Å; L1009-Q1013 PolarHBondContact O-N 2.89Å
1010	Q	88.2	Confident	84.9	Confident	97 Å²	97	75.1 Å²	75.1	45%	0.453	37%	0.369	S	S	.	.	H	α-helix	trans	-66.7	-31	174.6	-72.9	172.8	60.1	0	0	113.2	D1006 S1007 L1008 R1014	D1006-Q1010 WeakPolarHBondContact O-CG 3.36Å; D1006-Q1010 PolarHBondContact O-N 2.92Å; D1006-Q1010 PolarHBondContact O-NE2 3.18Å; S1007-Q1010 PolarHBondContact O-N 3.42Å; L1008-Q1010 VanDerWaalsContact C-N 3.32Å; L1008-Q1010 PolarHBondContact O-N 3.39Å; Q1010-R1014 WeakPolarHBondContact O-CD 3.13Å; Q1010-R1014 VanDerWaalsContact O-CG 3.29Å; Q1010-R1014 WeakPolarHBondContact O-CG 3.43Å; Q1010-R1014 PolarHBondContact O-N 3.44Å
1011	M	86.8	Confident	84.4	Confident	34 Å²	34	78.2 Å²	78.2	17%	0.167	38%	0.384	C	S	.	.	H	α-helix	trans	-73.3	-43.5	174.1	-62.7	-174.3	-160.7	0	0	111.3	V905 A909 E912 S1007 L1008 L1009 Q1013 R1014 L1015	V905-M1011 HydrophobicContact CG1-CB 4.03Å; V905-M1011 HydrophobicContact CG1-CG 4.35Å; A909-M1011 HydrophobicContact CB-CB 3.98Å; A909-M1011 HydrophobicContact CB-SD 4.14Å; A909-M1011 PolarHBondContact N-SD 2.97Å; A909-M1011 VanDerWaalsContact N-SD 3.4Å; E912-M1011 HydrophobicContact CG-CE 3.95Å; E912-M1011 HydrophobicContact CG-SD 4.45Å; S1007-M1011 WeakPolarHBondContact O-CG 3.45Å; S1007-M1011 PolarHBondContact O-N 3.48Å; S1007-M1011 VanDerWaalsContact O-N 3.17Å; L1008-M1011 PolarHBondContact O-N 3.04Å; L1009-M1011 VanDerWaalsContact C-N 3.33Å; L1009-M1011 PolarHBondContact O-N 3.38Å; M1011-Q1013 PolarHBondContact O-N 2.64Å; M1011-R1014 WeakPolarHBondContact O-CB 3.38Å; M1011-R1014 PolarHBondContact O-N 3.37Å; M1011-R1014 VanDerWaalsContact O-N 3.16Å; M1011-L1015 WeakPolarHBondContact O-CG 3.41Å; M1011-L1015 PolarHBondContact O-N 3.17Å
1012	I	84.4	Confident	84.1	Confident	70 Å²	70	83.6 Å²	83.6	36%	0.359	41%	0.408	S	S	.	.	H	α-helix	trans	-59.5	-45.8	175.7	-68.7	170.1	0	0	0	110.9	L1008 L1009 R1014 L1015 Q1016	L1008-I1012 HydrophobicContact CD1-CD1 4.02Å; L1008-I1012 HydrophobicContact CD1-CG1 4.17Å; L1008-I1012 HydrophobicContact CG-CD1 3.85Å; L1008-I1012 HydrophobicContact CG-CG1 4.42Å; L1008-I1012 WeakPolarHBondContact O-CG1 3.29Å; L1008-I1012 PolarHBondContact O-N 3.03Å; L1009-I1012 PolarHBondContact O-N 2.66Å; I1012-R1014 VanDerWaalsContact C-N 3.28Å; I1012-R1014 PolarHBondContact O-N 3.35Å; I1012-L1015 PolarHBondContact O-N 3.14Å; I1012-L1015 VanDerWaalsContact O-N 3.1Å; I1012-Q1016 HydrophobicContact CG2-CG 4.35Å; I1012-Q1016 WeakPolarHBondContact O-CG 3.28Å; I1012-Q1016 PolarHBondContact O-N 3.03Å
1013	Q	85.9	Confident	83.6	Confident	105 Å²	105	86.1 Å²	86.1	49%	0.491	41%	0.413	S	S	.	.	H	α-helix	trans	-60	-35.5	176.5	-74.7	172.9	-2.6	0	0	112.9	L1009 M1011 A1017	L1009-Q1013 WeakPolarHBondContact O-CB 3.25Å; L1009-Q1013 VanDerWaalsContact O-CG 3.3Å; L1009-Q1013 WeakPolarHBondContact O-CG 3.49Å; L1009-Q1013 PolarHBondContact O-N 2.89Å; M1011-Q1013 PolarHBondContact O-N 2.64Å; Q1013-A1017 PolarHBondContact O-N 3.35Å; Q1013-A1017 VanDerWaalsContact O-N 3.11Å
1014	R	82.3	Confident	83	Confident	135 Å²	135	83.9 Å²	83.9	51%	0.509	41%	0.407	S	S	.	.	H	α-helix	trans	-69.5	-38.4	174.2	-71.2	169.2	-168.1	146.8	11.9	112.1	V905 Q1010 M1011 I1012 A1017 V1018	V905-R1014 HydrophobicContact CG1-CB 4.33Å; Q1010-R1014 WeakPolarHBondContact O-CD 3.13Å; Q1010-R1014 VanDerWaalsContact O-CG 3.29Å; Q1010-R1014 WeakPolarHBondContact O-CG 3.43Å; Q1010-R1014 PolarHBondContact O-N 3.44Å; M1011-R1014 WeakPolarHBondContact O-CB 3.38Å; M1011-R1014 PolarHBondContact O-N 3.37Å; M1011-R1014 VanDerWaalsContact O-N 3.16Å; I1012-R1014 VanDerWaalsContact C-N 3.28Å; I1012-R1014 PolarHBondContact O-N 3.35Å; R1014-A1017 PolarHBondContact O-N 2.97Å; R1014-V1018 WeakPolarHBondContact O-CG2 3.42Å; R1014-V1018 PolarHBondContact O-N 3.34Å
1015	L	82.9	Confident	82.4	Confident	56 Å²	56	81.9 Å²	81.9	29%	0.293	40%	0.402	S	S	.	.	H	α-helix	trans	-69.4	-38.4	176.8	-66	168.2	0	0	0	111.7	V905 A906 A909 M1011 I1012 A1017 V1018 E1019	V905-L1015 HydrophobicContact CB-CD2 4.4Å; V905-L1015 HydrophobicContact CG1-CD2 4.17Å; V905-L1015 HydrophobicContact CG1-CG 4.08Å; A906-L1015 HydrophobicContact CB-CD1 4.42Å; A906-L1015 HydrophobicContact CB-CD2 4.22Å; A909-L1015 HydrophobicContact CB-CD1 4.41Å; M1011-L1015 WeakPolarHBondContact O-CG 3.41Å; M1011-L1015 PolarHBondContact O-N 3.17Å; I1012-L1015 PolarHBondContact O-N 3.14Å; I1012-L1015 VanDerWaalsContact O-N 3.1Å; L1015-A1017 PolarHBondContact O-N 3.14Å; L1015-V1018 WeakPolarHBondContact O-CB 3.48Å; L1015-V1018 PolarHBondContact O-N 3.44Å; L1015-E1019 PolarHBondContact O-N 3.37Å
1016	Q	79.3	Confident	81.7	Confident	110 Å²	110	80.8 Å²	80.8	51%	0.514	40%	0.402	S	S	.	.	H	α-helix	trans	-62.3	-39.9	172.9	-73.4	175.8	-35.6	0	0	112.3	I1012 V1018 E1019 E1020	I1012-Q1016 HydrophobicContact CG2-CG 4.35Å; I1012-Q1016 WeakPolarHBondContact O-CG 3.28Å; I1012-Q1016 PolarHBondContact O-N 3.03Å; Q1016-V1018 VanDerWaalsContact C-N 3.3Å; Q1016-V1018 PolarHBondContact O-N 3.26Å; Q1016-E1019 PolarHBondContact O-N 3.47Å; Q1016-E1020 PolarHBondContact O-N 3.42Å
1017	A	79.2	Confident	81	Confident	47 Å²	47	82.4 Å²	82.4	39%	0.388	41%	0.406	S	S	.	.	H	α-helix	trans	-61.8	-38.1	173.6	0	0	0	0	0	112.3	Q1013 R1014 L1015 E1020 E1021	Q1013-A1017 PolarHBondContact O-N 3.35Å; Q1013-A1017 VanDerWaalsContact O-N 3.11Å; R1014-A1017 PolarHBondContact O-N 2.97Å; L1015-A1017 PolarHBondContact O-N 3.14Å; A1017-E1020 PolarHBondContact O-N 3Å; A1017-E1021 WeakPolarHBondContact O-CG 3.29Å; A1017-E1021 PolarHBondContact O-N 3.24Å
1018	V	79.1	Confident	80.4	Confident	42 Å²	42	81.4 Å²	81.4	26%	0.255	40%	0.399	S	S	.	.	H	α-helix	trans	-68.3	-38	175	173.2	0	0	0	0	111.9	Q902 R1014 L1015 Q1016 E1020 E1021 H1022	Q902-V1018 HydrophobicContact CG-CG1 4.41Å; Q902-V1018 HydrophobicContact CG-CG2 3.97Å; R1014-V1018 WeakPolarHBondContact O-CG2 3.42Å; R1014-V1018 PolarHBondContact O-N 3.34Å; L1015-V1018 WeakPolarHBondContact O-CB 3.48Å; L1015-V1018 PolarHBondContact O-N 3.44Å; Q1016-V1018 VanDerWaalsContact C-N 3.3Å; Q1016-V1018 PolarHBondContact O-N 3.26Å; V1018-E1020 VanDerWaalsContact C-N 3.34Å; V1018-E1021 PolarHBondContact O-N 3.33Å; V1018-H1022 WeakPolarHBondContact O-CB 3.44Å; V1018-H1022 PolarHBondContact O-N 3.36Å
1019	E	76.3	Confident	79.4	Confident	119 Å²	119	84 Å²	84	56%	0.556	41%	0.413	S	S	*	.	H	α-helix	trans	-64.3	-38.8	173.3	-177.8	172.7	-153.1	0	0	111.8	L1015 Q1016 H1022 H1023	L1015-E1019 PolarHBondContact O-N 3.37Å; Q1016-E1019 PolarHBondContact O-N 3.47Å; E1019-H1022 PolarHBondContact O-N 2.87Å; E1019-H1023 PolarHBondContact O-N 3.47Å; E1019-H1023 PolarHBondContact O-ND1 3.09Å
1020	E	77.4	Confident	78.5	Confident	111 Å²	111	82.7 Å²	82.7	52%	0.519	41%	0.41	S	S	.	.	H	α-helix	trans	-69.3	-40.4	175.7	-153.2	-162.3	152.9	0	0	112	Q1016 A1017 V1018 H1023 K1024	Q1016-E1020 PolarHBondContact O-N 3.42Å; A1017-E1020 PolarHBondContact O-N 3Å; V1018-E1020 VanDerWaalsContact C-N 3.34Å; E1020-H1023 PolarHBondContact O-N 2.99Å; E1020-K1024 WeakPolarHBondContact O-CD 3.34Å; E1020-K1024 VanDerWaalsContact O-CG 3.29Å; E1020-K1024 WeakPolarHBondContact O-CG 3.46Å; E1020-K1024 PolarHBondContact O-N 3.48Å; E1020-K1024 WeakPolarHBondContact OE1-CE 3.42Å; E1020-K1024 IonicContact OE1-NZ 3.52Å; E1020-K1024 PolarHBondContact OE1-NZ 3.38Å; E1020-K1024 IonicContact OE2-NZ 2.64Å
1021	E	75.7	Confident	77.6	Confident	109 Å²	109	81.8 Å²	81.8	51%	0.509	41%	0.406	S	S	.	.	H	α-helix	trans	-62.5	-40.6	171.4	-77.3	-176.5	168.9	0	0	112	A1017 V1018 K1024 L1025	A1017-E1021 WeakPolarHBondContact O-CG 3.29Å; A1017-E1021 PolarHBondContact O-N 3.24Å; V1018-E1021 PolarHBondContact O-N 3.33Å; E1021-K1024 PolarHBondContact O-N 2.96Å; E1021-L1025 WeakPolarHBondContact O-CB 3.4Å; E1021-L1025 PolarHBondContact O-N 2.92Å
1022	H	77.4	Confident	76.7	Confident	126 Å²	126	82.3 Å²	82.3	58%	0.583	41%	0.408	S	S	*	.	H	α-helix	trans	-64.4	-41.4	176.1	-177.6	-86.9	0	0	0	112	V1018 E1019 L1025 S1026	V1018-H1022 WeakPolarHBondContact O-CB 3.44Å; V1018-H1022 PolarHBondContact O-N 3.36Å; E1019-H1022 PolarHBondContact O-N 2.87Å; H1022-L1025 PolarHBondContact O-N 3.2Å; H1022-S1026 WeakPolarHBondContact O-CB 3.3Å; H1022-S1026 PolarHBondContact O-N 3.49Å
1023	H	75.7	Confident	75.6	Confident	116 Å²	116	83 Å²	83	54%	0.537	42%	0.419	S	S	.	.	H	α-helix	trans	-61.7	-47.1	173.9	-81.4	87.9	0	0	0	111.9	E1019 E1020 L1025 S1026 E1027	E1019-H1023 PolarHBondContact O-N 3.47Å; E1019-H1023 PolarHBondContact O-ND1 3.09Å; E1020-H1023 PolarHBondContact O-N 2.99Å; H1023-L1025 VanDerWaalsContact C-N 3.33Å; H1023-L1025 PolarHBondContact O-N 3.09Å; H1023-S1026 WeakPolarHBondContact O-CB 3.37Å; H1023-S1026 PolarHBondContact O-N 2.95Å; H1023-E1027 PolarHBondContact O-N 3.35Å
1024	K	76.8	Confident	74.2	Confident	88 Å²	88	83.5 Å²	83.5	38%	0.383	42%	0.424	S	S	.	.	H	α-helix	trans	-62.3	-38.6	177.1	-67.6	162.2	-175.3	163.9	0	112.4	F891 E1020 E1021 E1027 V1028	F891-K1024 HydrophobicContact CE1-CB 4.49Å; F891-K1024 HydrophobicContact CZ-CB 3.91Å; E1020-K1024 WeakPolarHBondContact O-CD 3.34Å; E1020-K1024 VanDerWaalsContact O-CG 3.29Å; E1020-K1024 WeakPolarHBondContact O-CG 3.46Å; E1020-K1024 PolarHBondContact O-N 3.48Å; E1020-K1024 WeakPolarHBondContact OE1-CE 3.42Å; E1020-K1024 IonicContact OE1-NZ 3.52Å; E1020-K1024 PolarHBondContact OE1-NZ 3.38Å; E1020-K1024 IonicContact OE2-NZ 2.64Å; E1021-K1024 PolarHBondContact O-N 2.96Å; K1024-E1027 PolarHBondContact O-N 2.93Å; K1024-V1028 WeakPolarHBondContact O-CG2 3.47Å; K1024-V1028 PolarHBondContact O-N 3.39Å
1025	L	75.8	Confident	72.7	Confident	32 Å²	32	82 Å²	82	17%	0.168	42%	0.423	C	S	.	.	H	α-helix	trans	-64.9	-43.2	174.2	179.7	63.1	0	0	0	111.3	L886 F891 V894 E1021 H1022 H1023 E1027 V1028 L1029	L886-L1025 HydrophobicContact CD2-CD1 3.59Å; F891-L1025 HydrophobicContact CD1-CB 4.26Å; F891-L1025 HydrophobicContact CD1-CD1 4.04Å; F891-L1025 HydrophobicContact CE1-CB 3.78Å; F891-L1025 HydrophobicContact CE1-CD1 4.31Å; F891-L1025 HydrophobicContact CG-CD1 4.17Å; F891-L1025 HydrophobicContact CZ-CB 4.23Å; V894-L1025 HydrophobicContact CG1-CD2 4.05Å; E1021-L1025 WeakPolarHBondContact O-CB 3.4Å; E1021-L1025 PolarHBondContact O-N 2.92Å; H1022-L1025 PolarHBondContact O-N 3.2Å; H1023-L1025 VanDerWaalsContact C-N 3.33Å; H1023-L1025 PolarHBondContact O-N 3.09Å; L1025-E1027 VanDerWaalsContact C-N 3.33Å; L1025-E1027 PolarHBondContact O-N 3.34Å; L1025-V1028 PolarHBondContact O-N 3.1Å; L1025-L1029 HydrophobicContact CD1-CD1 4.31Å; L1025-L1029 HydrophobicContact CD1-CG 4.38Å; L1025-L1029 HydrophobicContact CG-CD1 4.08Å; L1025-L1029 WeakPolarHBondContact O-CB 3.25Å; L1025-L1029 VanDerWaalsContact O-CG 3.25Å; L1025-L1029 WeakPolarHBondContact O-CG 3.3Å; L1025-L1029 PolarHBondContact O-N 3.18Å
1026	S	72.6	Confident	71.1	Confident	67 Å²	67	81.6 Å²	81.6	47%	0.469	43%	0.432	S	S	.	.	H	α-helix	trans	-63.8	-36.8	175.9	-170.6	0	0	0	0	112.5	H1022 H1023 S1030	H1022-S1026 WeakPolarHBondContact O-CB 3.3Å; H1022-S1026 PolarHBondContact O-N 3.49Å; H1023-S1026 WeakPolarHBondContact O-CB 3.37Å; H1023-S1026 PolarHBondContact O-N 2.95Å; S1026-S1030 PolarHBondContact O-N 3.47Å
1027	E	76.1	Confident	69.3	Low	127 Å²	127	80 Å²	80	59%	0.593	44%	0.438	S	S	*	.	H	α-helix	trans	-64	-51	174.7	-172.7	171.6	-151.1	0	0	110.9	H1023 K1024 L1025 L1029 S1030 E1031	H1023-E1027 PolarHBondContact O-N 3.35Å; K1024-E1027 PolarHBondContact O-N 2.93Å; L1025-E1027 VanDerWaalsContact C-N 3.33Å; L1025-E1027 PolarHBondContact O-N 3.34Å; E1027-L1029 VanDerWaalsContact C-N 3.33Å; E1027-L1029 PolarHBondContact O-N 3.15Å; E1027-S1030 WeakPolarHBondContact O-CA 3.48Å; E1027-S1030 WeakPolarHBondContact O-CB 3.37Å; E1027-S1030 PolarHBondContact O-N 3.45Å; E1027-S1030 PolarHBondContact O-OG 2.92Å; E1027-E1031 PolarHBondContact O-N 2.86Å
1028	V	75.7	Confident	67.5	Low	11 Å²	11	84.2 Å²	84.2	7%	0.067	45%	0.454	C	S	.	.	H	α-helix	trans	-62.6	-35.5	177.3	167.2	0	0	0	0	112.9	M885 L886 R889 F891 K1024 L1025 S1030 E1031 F1032	M885-V1028 HydrophobicContact CE-CG1 3.39Å; M885-V1028 HydrophobicContact SD-CG1 4.34Å; L886-V1028 HydrophobicContact CD2-CG1 4.03Å; R889-V1028 HydrophobicContact CB-CG1 4.46Å; R889-V1028 HydrophobicContact CG-CG1 4.01Å; R889-V1028 HydrophobicContact CG-CG2 4.18Å; F891-V1028 HydrophobicContact CE2-CB 4.48Å; F891-V1028 HydrophobicContact CE2-CG2 4.11Å; K1024-V1028 WeakPolarHBondContact O-CG2 3.47Å; K1024-V1028 PolarHBondContact O-N 3.39Å; L1025-V1028 PolarHBondContact O-N 3.1Å; V1028-S1030 VanDerWaalsContact C-N 3.32Å; V1028-E1031 PolarHBondContact O-N 2.95Å; V1028-F1032 PolarHBondContact O-N 2.95Å; V1028-F1032 VanDerWaalsContact O-N 3.14Å
1029	L	70.6	Confident	65.7	Low	76 Å²	76	90.8 Å²	90.8	40%	0.398	48%	0.48	S	S	.	.	H	α-helix	trans	-67.8	-32	172	-71.3	171.7	0	0	0	112.2	L882 L1025 E1027 S1033	L882-L1029 HydrophobicContact CD1-CD2 3.95Å; L1025-L1029 HydrophobicContact CD1-CD1 4.31Å; L1025-L1029 HydrophobicContact CD1-CG 4.38Å; L1025-L1029 HydrophobicContact CG-CD1 4.08Å; L1025-L1029 WeakPolarHBondContact O-CB 3.25Å; L1025-L1029 VanDerWaalsContact O-CG 3.25Å; L1025-L1029 WeakPolarHBondContact O-CG 3.3Å; L1025-L1029 PolarHBondContact O-N 3.18Å; E1027-L1029 VanDerWaalsContact C-N 3.33Å; E1027-L1029 PolarHBondContact O-N 3.15Å; L1029-S1033 PolarHBondContact O-N 3.45Å; L1029-S1033 VanDerWaalsContact O-N 3.14Å
1030	S	69.4	Low	63.7	Low	58 Å²	58	97.6 Å²	97.6	41%	0.406	51%	0.511	S	S	.	.	H	α-helix	trans	-70.9	-38.9	173.9	83.5	0	0	0	0	112.3	S1026 E1027 V1028 F1032 S1033 L1034	S1026-S1030 PolarHBondContact O-N 3.47Å; E1027-S1030 WeakPolarHBondContact O-CA 3.48Å; E1027-S1030 WeakPolarHBondContact O-CB 3.37Å; E1027-S1030 PolarHBondContact O-N 3.45Å; E1027-S1030 PolarHBondContact O-OG 2.92Å; V1028-S1030 VanDerWaalsContact C-N 3.32Å; S1030-F1032 PolarHBondContact O-N 3.41Å; S1030-S1033 PolarHBondContact O-N 3.04Å; S1030-L1034 WeakPolarHBondContact O-CG 3.41Å; S1030-L1034 PolarHBondContact O-N 3.06Å
1031	E	69.9	Low	63	Low	78 Å²	78	97 Å²	97	36%	0.364	51%	0.511	S	S	.	.	H	α-helix	trans	-57.4	-47.8	171.9	-68.3	-175.1	127.6	0	0	111.3	R889 E1027 V1028 S1033 L1034 E1035	R889-E1031 IonicContact CZ-OE2 2.69Å; R889-E1031 IonicContact NE-OE2 3.06Å; R889-E1031 VanDerWaalsContact NH2-CD 3.26Å; R889-E1031 IonicContact NH2-OE1 2.67Å; R889-E1031 PolarHBondContact NH2-OE1 3.27Å; R889-E1031 IonicContact NH2-OE2 3.55Å; R889-E1031 PolarHBondContact NH2-OE2 2.97Å; E1027-E1031 PolarHBondContact O-N 2.86Å; V1028-E1031 PolarHBondContact O-N 2.95Å; E1031-S1033 VanDerWaalsContact C-N 3.31Å; E1031-S1033 PolarHBondContact O-N 2.69Å; E1031-L1034 PolarHBondContact O-N 3.34Å; E1031-L1034 VanDerWaalsContact O-N 3.09Å; E1031-E1035 PolarHBondContact O-N 2.9Å
1032	F	68.8	Low	62.4	Low	45 Å²	45	96.3 Å²	96.3	20%	0.197	51%	0.511	C	S	.	.	H	α-helix	trans	-61.4	-38.8	177.9	-173.4	-96.8	0	0	0	112.5	K881 L882 M885 V1028 S1030 L1034 E1035 G1036	K881-F1032 HydrophobicContact CB-CE2 4.41Å; K881-F1032 HydrophobicContact CD-CE2 4.39Å; K881-F1032 HydrophobicContact CG-CE2 4.41Å; L882-F1032 HydrophobicContact CB-CE1 4.16Å; L882-F1032 HydrophobicContact CB-CE2 3.97Å; L882-F1032 HydrophobicContact CB-CZ 3.73Å; L882-F1032 HydrophobicContact CD1-CD1 4.04Å; L882-F1032 HydrophobicContact CD1-CD2 4.13Å; L882-F1032 HydrophobicContact CD1-CE1 4.25Å; L882-F1032 HydrophobicContact CD1-CE2 4.34Å; L882-F1032 HydrophobicContact CD1-CG 3.98Å; L882-F1032 HydrophobicContact CD1-CZ 4.4Å; L882-F1032 HydrophobicContact CD2-CE1 4.48Å; M885-F1032 HydrophobicContact CE-CB 3.79Å; M885-F1032 HydrophobicContact CE-CD2 3.98Å; M885-F1032 HydrophobicContact CE-CG 4.2Å; M885-F1032 HydrophobicContact SD-CB 4.04Å; M885-F1032 HydrophobicContact SD-CD2 3.83Å; M885-F1032 HydrophobicContact SD-CG 4.41Å; V1028-F1032 PolarHBondContact O-N 2.95Å; V1028-F1032 VanDerWaalsContact O-N 3.14Å; S1030-F1032 PolarHBondContact O-N 3.41Å; F1032-L1034 VanDerWaalsContact C-N 3.3Å; F1032-L1034 PolarHBondContact O-N 2.71Å; F1032-E1035 PolarHBondContact O-N 2.92Å; F1032-G1036 PolarHBondContact O-N 2.92Å
1033	S	60.1	Low	61.5	Low	86 Å²	86	94.7 Å²	94.7	60%	0.601	51%	0.507	S	S	*	.	H	α-helix	trans	-66.3	-32.1	175.1	-166	0	0	0	0	112.6	L1029 S1030 E1031 A1037	L1029-S1033 PolarHBondContact O-N 3.45Å; L1029-S1033 VanDerWaalsContact O-N 3.14Å; S1030-S1033 PolarHBondContact O-N 3.04Å; E1031-S1033 VanDerWaalsContact C-N 3.31Å; E1031-S1033 PolarHBondContact O-N 2.69Å; S1033-A1037 PolarHBondContact O-N 3.42Å
1034	L	56.2	Low	60.7	Low	114 Å²	114	93.4 Å²	93.4	60%	0.597	51%	0.505	S	S	*	.	H	α-helix	trans	-78.1	-36.4	176.2	-70.1	166.1	0	0	0	112.5	S1030 E1031 F1032 G1036 A1037 N1038	S1030-L1034 WeakPolarHBondContact O-CG 3.41Å; S1030-L1034 PolarHBondContact O-N 3.06Å; E1031-L1034 PolarHBondContact O-N 3.34Å; E1031-L1034 VanDerWaalsContact O-N 3.09Å; F1032-L1034 VanDerWaalsContact C-N 3.3Å; F1032-L1034 PolarHBondContact O-N 2.71Å; L1034-G1036 VanDerWaalsContact C-N 3.34Å; L1034-A1037 PolarHBondContact O-N 2.67Å; L1034-N1038 PolarHBondContact O-ND2 3.25Å
1035	E	51.5	Low	59.7	Low	103 Å²	103	93.8 Å²	93.8	48%	0.481	51%	0.513	S	S	.	.	H	α-helix	trans	-62.7	-41.6	169.1	-76.6	-152.7	158.2	0	0	111.5	K881 E1031 F1032 A1037 N1038	K881-E1035 IonicContact NZ-OE2 2.71Å; K881-E1035 PolarHBondContact NZ-OE2 2.92Å; E1031-E1035 PolarHBondContact O-N 2.9Å; F1032-E1035 PolarHBondContact O-N 2.92Å; E1035-A1037 PolarHBondContact O-N 3.44Å; E1035-N1038 PolarHBondContact O-N 3.44Å
1036	G	49.6	Very low	58.6	Low	48 Å²	48	97.9 Å²	97.9	50%	0.495	54%	0.536	S	S	.	.	H	α-helix	trans	-59.9	-29.1	176.7	0	0	0	0	0	113.7	F1032 L1034 N1038	F1032-G1036 PolarHBondContact O-N 2.92Å; L1034-G1036 VanDerWaalsContact C-N 3.34Å; G1036-N1038 VanDerWaalsContact C-N 3.34Å
1037	A	41.2	Very low	57.6	Low	76 Å²	76	100.1 Å²	100.1	63%	0.628	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-13.1	176.1	0	0	0	0	0	114.2	S1033 L1034 E1035	S1033-A1037 PolarHBondContact O-N 3.42Å; L1034-A1037 PolarHBondContact O-N 2.67Å; E1035-A1037 PolarHBondContact O-N 3.44Å
1038	N	40.7	Very low	56.2	Low	136 Å²	136	98 Å²	98	73%	0.727	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	4.7	178.1	-75	-70.1	0	0	0	113.7	L1034 E1035 G1036	L1034-N1038 PolarHBondContact O-ND2 3.25Å; E1035-N1038 PolarHBondContact O-N 3.44Å; G1036-N1038 VanDerWaalsContact C-N 3.34Å
1039	F	42.1	Very low	54.6	Low	181 Å²	181	105.3 Å²	105.3	79%	0.794	58%	0.576	S	S	*	*			trans	-124.7	67.2	176.1	-87.6	-83	0	0	0	111.8
1040	Q	34.6	Very low	53.1	Low	262 Å²	262	107.9 Å²	107.9	100%	1.224	59%	0.592	S	S	*	*			trans	-147.6	0	164.4	-112.8	170.2	54.1	0	0	111.4

Retrieved 1,040 of 1,040 residues in 980.9 ms (Link to these results)

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