A0A077ZDZ6_TRITR Loading...

protein-ribulosamine 3-kinase

AlphaFold DB , UniProt , Accession A0A077ZDZ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,181 aa.

						>A0A077ZDZ6_TRITR|A0A077ZDZ6
MLLDDFDAIDWTTERKFILPKLKAMTFDKNASIDFFRLYVIPIQIVDYTIRDYVTSWYSKLTNDDGFTKSVRYLFITALRVLIAGLKNVNWVTVLTHDVIDDFATHLRLFRKAKQKYEKIASTGSEPRPELLEQYFFEMEYELESSFCRKRLSMSKQGENEFLRSLGDVLVYLLLPTKDLCPHIFRLLLRDVLAVQVIGATVNLICDPDYICHTVATLLFAVPLKYEDFITVLEATDDADELNATMESLQQEIELQRSKDTGGADDGLIKQQLGSLFYLQKLIAGRLSRLQTSDSSLDEAGDGWQDCAAMYDLSLAFVLCNHVALCSFIDYLSQTDGKTYIDMYLTVEASEFSGFKNSFPNRSGRSTSEHTKRNESLIISSAREVALEIYNQYFQAKSDRLVDIDEGIKKRLQAMIRSKVHPSFWFDEAQQRAYEILENDIRFYPSFKRSPAYVKLLAELKLLLPQDKSDETNPFSIPPTTSVLGDQTDSGEVDSATVKDVVYETNIKTIGMGNEQSTIFAVYNIEVKKFDHCGQCMKHWIVTRRYSDFYNLNCVIKRKFPQLAKISFPAKKTFNNMHHGFLERRKRALNTYLKTLLDPALLKRCKGLENLLLEFLCRMDYNGDGGTLVEKLNSVVDPIRSGVKFVGNAVISMPDTLIDGVCKVGDGLGKVTRTVFGIQELTPSQVENFGGRVAASLNYESADSIPLRILMLLVDEIFGLQEQNQWIRRRMVSFLQQLIHAMYGSSLNRKIVEYVHWLTSEEQVINYVKLFRNSMWPNGVLAEAAPVRPQSTKARTRVVARTQTLSLLPDEFKLFIGNDSTTAGVCMVFEALQHECLNRRLCYVLLERLIVSVFPNRNVDQSTISRMNSSDEAELRSSLETETLTAYGQRGGGCINQGCGYMTDNGPIFVKLNRDAKASTMFKGEYASLAALYAANCVRVPKPIKVVPVVRGALFAAEYIDGMSRLNKYSALLGKQLARLHMHNSQLLKAQSERESWVTDRHDEFTIEPVTKFGFHETTCCGFIPMDNTWSDDWVEFFTQKRLQAQYDKVMESAGDRKLSELWPRMLEKIPSCFEKCGEIVPCLLHGDLWSGNVAETPTGPVIFDPASFYGHSEFEFGIASIFGGFNRQFYDAYYELIPKRPGFEKRLRLYALFNYLNHWNHFGSAYRESTLREVKAIIDS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.4	Very low	37.2	Very low	172 Å²	172	105.9 Å²	105.9	85%	0.847	55%	0.554	S	S	*	*				0	-76.4	0	-82.6	-169.4	72.3	0	0	111.8	L3 D4 D5	M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.28Å; M1-D4 WeakPolarHBondContact CA-OD2 3.38Å; M1-D4 PolarHBondContact N-OD2 3.17Å; M1-D4 PolarHBondContact O-N 2.78Å; M1-D5 PolarHBondContact O-N 2.96Å
2	L	28.6	Very low	37.6	Very low	120 Å²	120	105.3 Å²	105.3	63%	0.628	56%	0.558	S	S	*	*	H	α-helix	trans	-59.4	-38.6	-175.6	-133.3	133.8	0	0	0	113.1	F6	L2-F6 HydrophobicContact CD2-CD2 4.21Å; L2-F6 HydrophobicContact CD2-CE2 3.91Å; L2-F6 WeakPolarHBondContact O-CD2 3.24Å; L2-F6 PolarHBondContact O-N 2.81Å; L2-F6 VanDerWaalsContact O-N 3.15Å
3	L	35.8	Very low	38.1	Very low	136 Å²	136	102.5 Å²	102.5	71%	0.712	55%	0.547	S	S	*	.	H	α-helix	trans	-70.4	-39.3	172.9	-80	163	0	0	0	113	M1 D5 F6 D7	M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.28Å; L3-D5 VanDerWaalsContact C-N 3.34Å; L3-F6 WeakPolarHBondContact O-CA 3.42Å; L3-F6 VanDerWaalsContact O-CB 3.27Å; L3-F6 WeakPolarHBondContact O-CB 3.49Å; L3-F6 PolarHBondContact O-N 3.21Å; L3-F6 VanDerWaalsContact O-N 3.09Å; L3-D7 PolarHBondContact O-N 3.37Å
4	D	40.5	Very low	38.4	Very low	107 Å²	107	99.7 Å²	99.7	57%	0.572	53%	0.53	S	S	*	.	H	α-helix	trans	-67.5	-36.9	178.2	-52.1	-50.8	0	0	0	111.3	M1 F6 D7 A8	M1-D4 WeakPolarHBondContact CA-OD2 3.38Å; M1-D4 PolarHBondContact N-OD2 3.17Å; M1-D4 PolarHBondContact O-N 2.78Å; D4-F6 VanDerWaalsContact C-N 3.28Å; D4-F6 PolarHBondContact O-N 2.76Å; D4-D7 PolarHBondContact O-N 3.34Å; D4-A8 PolarHBondContact O-N 3.39Å; D4-A8 VanDerWaalsContact O-N 3.1Å
5	D	39.4	Very low	38.2	Very low	97 Å²	97	104.1 Å²	104.1	52%	0.519	54%	0.536	S	S	.	.	H	α-helix	trans	-65.8	-32.3	171.3	-68.2	-28.3	0	0	0	111.2	M1 L3 A8 I9	M1-D5 PolarHBondContact O-N 2.96Å; L3-D5 VanDerWaalsContact C-N 3.34Å; D5-A8 PolarHBondContact O-N 2.9Å; D5-I9 WeakPolarHBondContact O-CG1 3.1Å
6	F	33.8	Very low	38.6	Very low	42 Å²	42	108.3 Å²	108.3	18%	0.184	55%	0.549	C	S	.	.	H	α-helix	trans	-69.8	-35.8	174.6	-101.1	-65.6	0	0	0	112.8	L2 L3 D4 I9 W11	L2-F6 HydrophobicContact CD2-CD2 4.21Å; L2-F6 HydrophobicContact CD2-CE2 3.91Å; L2-F6 WeakPolarHBondContact O-CD2 3.24Å; L2-F6 PolarHBondContact O-N 2.81Å; L2-F6 VanDerWaalsContact O-N 3.15Å; L3-F6 WeakPolarHBondContact O-CA 3.42Å; L3-F6 VanDerWaalsContact O-CB 3.27Å; L3-F6 WeakPolarHBondContact O-CB 3.49Å; L3-F6 PolarHBondContact O-N 3.21Å; L3-F6 VanDerWaalsContact O-N 3.09Å; D4-F6 VanDerWaalsContact C-N 3.28Å; D4-F6 PolarHBondContact O-N 2.76Å; F6-I9 PolarHBondContact O-N 3.24Å; F6-W11 HydrophobicContact CD1-CH2 4.35Å; F6-W11 AromaticContact CD1-CZ2 3.73Å; F6-W11 HydrophobicContact CD1-CZ2 3.73Å; F6-W11 HydrophobicContact CE1-CH2 4.2Å; F6-W11 HydrophobicContact CE1-CZ2 4.04Å; F6-W11 PolarHBondContact O-NE1 3.34Å
7	D	40.4	Very low	38.9	Very low	136 Å²	136	110.9 Å²	110.9	73%	0.727	56%	0.556	S	S	*	*	H	α-helix	trans	-74.6	-26.3	175.9	-78.4	-20.3	0	0	0	112.3	L3 D4 I9	L3-D7 PolarHBondContact O-N 3.37Å; D4-D7 PolarHBondContact O-N 3.34Å; D7-I9 VanDerWaalsContact C-N 3.29Å; D7-I9 PolarHBondContact O-N 3.06Å
8	A	41.5	Very low	38.9	Very low	82 Å²	82	107.8 Å²	107.8	68%	0.678	54%	0.541	S	S	*	.	S	Bend	trans	-74	-16.6	174.9	0	0	0	0	0	113.8	D4 D5 D10	D4-A8 PolarHBondContact O-N 3.39Å; D4-A8 VanDerWaalsContact O-N 3.1Å; D5-A8 PolarHBondContact O-N 2.9Å; A8-D10 PolarHBondContact O-N 3.36Å
9	I	37.2	Very low	38.8	Very low	36 Å²	36	105.8 Å²	105.8	19%	0.185	53%	0.532	C	S	.	.	S	Bend	trans	-79.7	104.9	175.4	-63.8	164.9	0	0	0	108	D5 F6 D7 W11	D5-I9 WeakPolarHBondContact O-CG1 3.1Å; F6-I9 PolarHBondContact O-N 3.24Å; D7-I9 VanDerWaalsContact C-N 3.29Å; D7-I9 PolarHBondContact O-N 3.06Å; I9-W11 VanDerWaalsContact C-N 3.31Å; I9-W11 PolarHBondContact O-N 3.43Å; I9-W11 PolarHBondContact O-NE1 2.9Å
10	D	39.4	Very low	38.9	Very low	90 Å²	90	104.2 Å²	104.2	48%	0.481	53%	0.529	S	S	.	.			trans	-65.8	90.4	173.7	178.2	14.1	0	0	0	110.6	A8 T12 T13	A8-D10 PolarHBondContact O-N 3.36Å; D10-T12 PolarHBondContact O-N 3.05Å; D10-T12 PolarHBondContact OD1-N 3.41Å; D10-T12 PolarHBondContact OD1-OG1 3.41Å; D10-T13 PolarHBondContact O-N 3.05Å; D10-T13 PolarHBondContact OD2-OG1 2.94Å
11	W	38.3	Very low	39.1	Very low	147 Å²	147	106 Å²	106	56%	0.557	53%	0.533	S	S	*	.	H	α-helix	trans	-52.9	-19.8	-179.7	-69.1	92.3	0	0	0	114.2	F6 I9	F6-W11 HydrophobicContact CD1-CH2 4.35Å; F6-W11 AromaticContact CD1-CZ2 3.73Å; F6-W11 HydrophobicContact CD1-CZ2 3.73Å; F6-W11 HydrophobicContact CE1-CH2 4.2Å; F6-W11 HydrophobicContact CE1-CZ2 4.04Å; F6-W11 PolarHBondContact O-NE1 3.34Å; I9-W11 VanDerWaalsContact C-N 3.31Å; I9-W11 PolarHBondContact O-N 3.43Å; I9-W11 PolarHBondContact O-NE1 2.9Å
12	T	42.2	Very low	39.1	Very low	99 Å²	99	100.7 Å²	100.7	61%	0.607	51%	0.508	S	S	*	.	H	α-helix	trans	-83.8	-31.7	-175.8	64.9	0	0	0	0	113.6	D10	D10-T12 PolarHBondContact O-N 3.05Å; D10-T12 PolarHBondContact OD1-N 3.41Å; D10-T12 PolarHBondContact OD1-OG1 3.41Å
13	T	43.3	Very low	39.6	Very low	68 Å²	68	102.9 Å²	102.9	42%	0.417	51%	0.512	S	S	.	.	H	α-helix	trans	-85.6	-40.9	-173.6	-49.2	0	0	0	0	111.4	D10 R15 K16 F17	D10-T13 PolarHBondContact O-N 3.05Å; D10-T13 PolarHBondContact OD2-OG1 2.94Å; T13-R15 PolarHBondContact O-N 3.43Å; T13-K16 PolarHBondContact O-N 2.85Å; T13-F17 HydrophobicContact CG2-CD2 4.46Å; T13-F17 HydrophobicContact CG2-CE2 4.3Å; T13-F17 WeakPolarHBondContact O-CD2 3.49Å
14	E	42.2	Very low	39.9	Very low	64 Å²	64	100 Å²	100	30%	0.299	51%	0.508	S	S	.	.	H	α-helix	trans	-68.1	-37.1	-179.5	-71.9	-167.1	152.7	0	0	113.4	K16 F17 I18 P182	E14-K16 PolarHBondContact O-N 3.4Å; E14-F17 PolarHBondContact O-N 3.45Å; E14-F17 VanDerWaalsContact O-N 3.13Å; E14-I18 HydrophobicContact CB-CD1 4.31Å; E14-I18 PolarHBondContact O-N 3.43Å; E14-P182 WeakPolarHBondContact OE1-CB 3.25Å; E14-P182 WeakPolarHBondContact OE1-CD 3.5Å; E14-P182 VanDerWaalsContact OE1-CG 3.29Å; E14-P182 WeakPolarHBondContact OE1-CG 3.47Å
15	R	36.2	Very low	39.7	Very low	166 Å²	166	100.2 Å²	100.2	63%	0.626	51%	0.507	S	S	*	.	H	α-helix	trans	-61.5	-30.4	178.2	-155	-179.3	-167.3	-171.1	7.3	111.9	T13 L19	T13-R15 PolarHBondContact O-N 3.43Å; R15-L19 HydrophobicContact CG-CD1 4.34Å; R15-L19 WeakPolarHBondContact O-CB 3.46Å
16	K	44.5	Very low	39.4	Very low	171 Å²	171	101.6 Å²	101.6	74%	0.743	52%	0.519	S	S	*	.	H	α-helix	trans	-74.4	-31	177.1	-80.8	-178.1	178.1	173.2	0	113.4	T13 E14 P20	T13-K16 PolarHBondContact O-N 2.85Å; E14-K16 PolarHBondContact O-N 3.4Å; K16-P20 WeakPolarHBondContact O-CD 3.45Å; K16-P20 VanDerWaalsContact O-CG 3.22Å; K16-P20 WeakPolarHBondContact O-CG 3.25Å
17	F	43.4	Very low	39.6	Very low	152 Å²	152	108 Å²	108	67%	0.667	55%	0.547	S	S	*	.	H	α-helix	trans	-90.4	-37.6	-177.4	-80.6	-79.9	0	0	0	113.7	T13 E14	T13-F17 HydrophobicContact CG2-CD2 4.46Å; T13-F17 HydrophobicContact CG2-CE2 4.3Å; T13-F17 WeakPolarHBondContact O-CD2 3.49Å; E14-F17 PolarHBondContact O-N 3.45Å; E14-F17 VanDerWaalsContact O-N 3.13Å
18	I	38.4	Very low	39.5	Very low	56 Å²	56	106.9 Å²	106.9	29%	0.287	54%	0.541	S	S	.	.	H	α-helix	trans	-85.8	-43.5	-172	-59.1	177	0	0	0	111.4	E14 K21 L22	E14-I18 HydrophobicContact CB-CD1 4.31Å; E14-I18 PolarHBondContact O-N 3.43Å; I18-K21 PolarHBondContact O-N 3.36Å; I18-L22 HydrophobicContact CG2-CD1 3.73Å; I18-L22 HydrophobicContact CG2-CG 4.24Å; I18-L22 PolarHBondContact O-N 3.01Å
19	L	37.3	Very low	39.3	Very low	70 Å²	70	112.2 Å²	112.2	37%	0.366	55%	0.549	S	S	.	.	H	α-helix	trans	-62.7	-39.9	-172.5	-139.1	87.7	0	0	0	114	R15 L22 K23	R15-L19 HydrophobicContact CG-CD1 4.34Å; R15-L19 WeakPolarHBondContact O-CB 3.46Å; L19-L22 PolarHBondContact O-N 2.97Å; L19-K23 WeakPolarHBondContact O-CG 3.24Å; L19-K23 PolarHBondContact O-N 3.07Å
20	P	41.5	Very low	39.3	Very low	73 Å²	73	117.4 Å²	117.4	47%	0.474	58%	0.578	S	S	.	*	H	α-helix	trans	-67	-37.9	175.8	-20.6	33.5	0	0	0	112.6	K16 K23 A24	K16-P20 WeakPolarHBondContact O-CD 3.45Å; K16-P20 VanDerWaalsContact O-CG 3.22Å; K16-P20 WeakPolarHBondContact O-CG 3.25Å; P20-K23 PolarHBondContact O-N 3.35Å; P20-A24 WeakPolarHBondContact O-CB 3.12Å; P20-A24 PolarHBondContact O-N 3.04Å
21	K	43.7	Very low	39.2	Very low	141 Å²	141	114.3 Å²	114.3	61%	0.613	56%	0.564	S	S	*	*	H	α-helix	trans	-65.3	-41.7	175.9	-77.7	-177.3	174.9	179.5	0	111.6	I18 A24 M25	I18-K21 PolarHBondContact O-N 3.36Å; K21-A24 PolarHBondContact O-N 3.24Å; K21-M25 PolarHBondContact O-N 2.7Å
22	L	34.1	Very low	39.1	Very low	61 Å²	61	110.7 Å²	110.7	32%	0.319	56%	0.562	S	S	.	*	H	α-helix	trans	-61.9	-41.3	172.8	-81.2	168.3	0	0	0	112.1	I18 L19	I18-L22 HydrophobicContact CG2-CD1 3.73Å; I18-L22 HydrophobicContact CG2-CG 4.24Å; I18-L22 PolarHBondContact O-N 3.01Å; L19-L22 PolarHBondContact O-N 2.97Å
23	K	38	Very low	38.8	Very low	167 Å²	167	112.7 Å²	112.7	73%	0.726	57%	0.567	S	S	*	*	H	α-helix	trans	-69.1	-31.4	176.9	-78.6	-175.8	176.6	-176.9	0	113.4	L19 P20 M25	L19-K23 WeakPolarHBondContact O-CG 3.24Å; L19-K23 PolarHBondContact O-N 3.07Å; P20-K23 PolarHBondContact O-N 3.35Å; K23-M25 VanDerWaalsContact C-N 3.31Å
24	A	43.1	Very low	38.8	Very low	76 Å²	76	114.5 Å²	114.5	63%	0.628	57%	0.574	S	S	*	*	H	α-helix	trans	-76.3	-16.6	-179.2	0	0	0	0	0	113.4	P20 K21 T26	P20-A24 WeakPolarHBondContact O-CB 3.12Å; P20-A24 PolarHBondContact O-N 3.04Å; K21-A24 PolarHBondContact O-N 3.24Å; A24-T26 PolarHBondContact O-N 2.72Å; A24-T26 VanDerWaalsContact O-N 3.14Å
25	M	35.8	Very low	38.9	Very low	111 Å²	111	115.7 Å²	115.7	55%	0.547	58%	0.579	S	S	.	*			trans	-87.4	79	179.1	-72.9	-175.5	171.2	0	0	111.1	K21 K23 Y73	K21-M25 PolarHBondContact O-N 2.7Å; K23-M25 VanDerWaalsContact C-N 3.31Å; M25-Y73 HydrophobicContact CE-CE2 4.48Å; M25-Y73 HydrophobicContact SD-CE2 3.59Å; M25-Y73 VanDerWaalsContact SD-CE2 3.59Å
26	T	33.8	Very low	39.4	Very low	126 Å²	126	113.4 Å²	113.4	77%	0.773	57%	0.573	S	S	*	*			trans	-66.3	131.4	163.2	39.8	0	0	0	0	109.5	A24 D28	A24-T26 PolarHBondContact O-N 2.72Å; A24-T26 VanDerWaalsContact O-N 3.14Å; T26-D28 PolarHBondContact O-N 3.22Å
27	F	37.2	Very low	39.9	Very low	175 Å²	175	113.7 Å²	113.7	77%	0.768	57%	0.57	S	S	*	*			trans	-53.9	123.9	170.6	-84.1	-99.4	0	0	0	109.1	K29	F27-K29 PolarHBondContact O-N 3.06Å
28	D	38.6	Very low	40.8	Very low	113 Å²	113	107.2 Å²	107.2	60%	0.604	54%	0.542	S	S	*	.			trans	-62.2	102.7	172.2	-172.8	0.2	0	0	0	108.5	T26 N30	T26-D28 PolarHBondContact O-N 3.22Å; D28-N30 PolarHBondContact O-N 2.96Å; D28-N30 WeakPolarHBondContact OD1-CB 3.33Å; D28-N30 PolarHBondContact OD1-N 3.34Å
29	K	37.5	Very low	42.3	Very low	194 Å²	194	105.9 Å²	105.9	84%	0.843	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-10.1	178.9	-72.8	-175	176.4	-179	0	112.1	F27	F27-K29 PolarHBondContact O-N 3.06Å
30	N	37.6	Very low	44.2	Very low	146 Å²	146	105.7 Å²	105.7	78%	0.781	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	3.8	-177.9	-68.5	-16.3	0	0	0	113.8	D28 S32	D28-N30 PolarHBondContact O-N 2.96Å; D28-N30 WeakPolarHBondContact OD1-CB 3.33Å; D28-N30 PolarHBondContact OD1-N 3.34Å; N30-S32 PolarHBondContact O-N 2.99Å
31	A	36.2	Very low	46.1	Very low	25 Å²	25	103 Å²	103	21%	0.207	52%	0.517	C	S	.	.	S	Bend	trans	-60.9	125.7	172.5	0	0	0	0	0	109.8	F35 F36	A31-F35 HydrophobicContact CB-CB 3.97Å; A31-F35 HydrophobicContact CB-CD1 3.61Å; A31-F35 HydrophobicContact CB-CE1 4.29Å; A31-F35 HydrophobicContact CB-CG 3.88Å; A31-F36 HydrophobicContact CB-CE2 4.44Å; A31-F36 WeakPolarHBondContact O-CE2 3.49Å
32	S	36.2	Very low	48	Very low	71 Å²	71	97 Å²	97	50%	0.497	49%	0.492	S	S	.	.			trans	-56.1	157.1	-174.6	83.1	0	0	0	0	112	N30 D34 F35 F36	N30-S32 PolarHBondContact O-N 2.99Å; S32-D34 PolarHBondContact O-N 2.91Å; S32-D34 VanDerWaalsContact O-N 3.07Å; S32-D34 PolarHBondContact OG-N 3.35Å; S32-F35 WeakPolarHBondContact O-CA 3.36Å; S32-F35 WeakPolarHBondContact O-CB 3.15Å; S32-F35 PolarHBondContact O-N 3.07Å; S32-F36 PolarHBondContact O-N 2.87Å
33	I	37	Very low	50.4	Low	140 Å²	140	96.3 Å²	96.3	72%	0.718	49%	0.488	S	S	*	.	H	α-helix	trans	-54.6	-29.3	178.6	-67.8	168.4	0	0	0	112.1	F36 R37	I33-F36 PolarHBondContact O-N 3.01Å; I33-R37 PolarHBondContact O-N 3.01Å
34	D	43	Very low	52.7	Low	107 Å²	107	91.3 Å²	91.3	57%	0.572	47%	0.467	S	S	*	.	H	α-helix	trans	-69.7	-35	174.3	-73.4	-27.7	0	0	0	112.6	S32 F36 R37	S32-D34 PolarHBondContact O-N 2.91Å; S32-D34 VanDerWaalsContact O-N 3.07Å; S32-D34 PolarHBondContact OG-N 3.35Å; D34-F36 PolarHBondContact O-N 2.81Å; D34-R37 PolarHBondContact O-N 3.42Å
35	F	44.1	Very low	54.7	Low	89 Å²	89	88.7 Å²	88.7	39%	0.39	44%	0.443	S	S	.	.	H	α-helix	trans	-61.5	-27.1	172.4	-164.6	-90.3	0	0	0	111.9	A31 S32 Y39	A31-F35 HydrophobicContact CB-CB 3.97Å; A31-F35 HydrophobicContact CB-CD1 3.61Å; A31-F35 HydrophobicContact CB-CE1 4.29Å; A31-F35 HydrophobicContact CB-CG 3.88Å; S32-F35 WeakPolarHBondContact O-CA 3.36Å; S32-F35 WeakPolarHBondContact O-CB 3.15Å; S32-F35 PolarHBondContact O-N 3.07Å; F35-Y39 HydrophobicContact CD1-CD2 4.28Å; F35-Y39 HydrophobicContact CD1-CE2 4.43Å; F35-Y39 HydrophobicContact CD2-CD2 4.48Å; F35-Y39 AromaticContact CD2-CE2 3.95Å; F35-Y39 HydrophobicContact CD2-CE2 3.95Å; F35-Y39 HydrophobicContact CE1-CD2 4.21Å; F35-Y39 HydrophobicContact CE1-CE2 4.16Å; F35-Y39 HydrophobicContact CE2-CD2 4.41Å; F35-Y39 AromaticContact CE2-CE2 3.65Å; F35-Y39 HydrophobicContact CE2-CE2 3.65Å; F35-Y39 HydrophobicContact CG-CD2 4.42Å; F35-Y39 HydrophobicContact CG-CE2 4.33Å; F35-Y39 HydrophobicContact CZ-CD2 4.27Å; F35-Y39 AromaticContact CZ-CE2 3.76Å; F35-Y39 HydrophobicContact CZ-CE2 3.76Å; F35-Y39 AromaticContact CZ-CZ 3.97Å; F35-Y39 WeakPolarHBondContact O-CD2 3.1Å
36	F	45.9	Very low	57	Low	118 Å²	118	84 Å²	84	52%	0.518	42%	0.42	S	S	.	.	H	α-helix	trans	-74.9	-40.4	175.4	-80.3	-87.9	0	0	0	112.6	A31 S32 I33 D34 L38 Y39 V40	A31-F36 HydrophobicContact CB-CE2 4.44Å; A31-F36 WeakPolarHBondContact O-CE2 3.49Å; S32-F36 PolarHBondContact O-N 2.87Å; I33-F36 PolarHBondContact O-N 3.01Å; D34-F36 PolarHBondContact O-N 2.81Å; F36-L38 PolarHBondContact O-N 3.25Å; F36-Y39 PolarHBondContact O-N 3.44Å; F36-V40 WeakPolarHBondContact O-CG2 3.3Å; F36-V40 PolarHBondContact O-N 3.28Å
37	R	56.4	Low	59.6	Low	176 Å²	176	80.2 Å²	80.2	66%	0.664	40%	0.395	S	S	*	.	H	α-helix	trans	-64.6	-46.4	-173.4	-77.7	-173.1	174.5	-167.7	0.2	113.3	I33 D34 Y39	I33-R37 PolarHBondContact O-N 3.01Å; D34-R37 PolarHBondContact O-N 3.42Å; R37-Y39 VanDerWaalsContact C-N 3.28Å; R37-Y39 PolarHBondContact O-N 2.88Å
38	L	61.8	Low	62.1	Low	17 Å²	17	74.5 Å²	74.5	9%	0.089	37%	0.369	C	S	.	.	H	α-helix	trans	-67.9	-29.4	-175.9	-164.8	61.1	0	0	0	112.8	F36 P42 I83 E761 I765	F36-L38 PolarHBondContact O-N 3.25Å; L38-P42 WeakPolarHBondContact O-CD 3.33Å; L38-P42 VanDerWaalsContact O-CG 3.24Å; L38-P42 WeakPolarHBondContact O-CG 3.38Å; L38-I83 HydrophobicContact CD2-CG2 4.1Å; L38-E761 HydrophobicContact CD1-CG 3.58Å; L38-E761 HydrophobicContact CD2-CG 4.33Å; L38-E761 HydrophobicContact CG-CG 4.44Å; L38-I765 HydrophobicContact CD1-CD1 4.03Å; L38-I765 HydrophobicContact CD1-CG1 3.64Å
39	Y	68.7	Low	64.3	Low	27 Å²	27	69.4 Å²	69.4	11%	0.106	34%	0.342	C	S	.	.	H	α-helix	trans	-94.3	-21.1	-174	-74.5	-92.6	0	0	0	114.2	F35 F36 R37 I41 P42 I43 R80 I83	F35-Y39 HydrophobicContact CD1-CD2 4.28Å; F35-Y39 HydrophobicContact CD1-CE2 4.43Å; F35-Y39 HydrophobicContact CD2-CD2 4.48Å; F35-Y39 AromaticContact CD2-CE2 3.95Å; F35-Y39 HydrophobicContact CD2-CE2 3.95Å; F35-Y39 HydrophobicContact CE1-CD2 4.21Å; F35-Y39 HydrophobicContact CE1-CE2 4.16Å; F35-Y39 HydrophobicContact CE2-CD2 4.41Å; F35-Y39 AromaticContact CE2-CE2 3.65Å; F35-Y39 HydrophobicContact CE2-CE2 3.65Å; F35-Y39 HydrophobicContact CG-CD2 4.42Å; F35-Y39 HydrophobicContact CG-CE2 4.33Å; F35-Y39 HydrophobicContact CZ-CD2 4.27Å; F35-Y39 AromaticContact CZ-CE2 3.76Å; F35-Y39 HydrophobicContact CZ-CE2 3.76Å; F35-Y39 AromaticContact CZ-CZ 3.97Å; F35-Y39 WeakPolarHBondContact O-CD2 3.1Å; F36-Y39 PolarHBondContact O-N 3.44Å; R37-Y39 VanDerWaalsContact C-N 3.28Å; R37-Y39 PolarHBondContact O-N 2.88Å; Y39-I41 PolarHBondContact O-N 3.01Å; Y39-P42 WeakPolarHBondContact O-CD 3.3Å; Y39-I43 VanDerWaalsContact O-CB 3.25Å; Y39-I43 WeakPolarHBondContact O-CB 3.4Å; Y39-I43 WeakPolarHBondContact O-CD1 3.5Å; Y39-I43 WeakPolarHBondContact O-CG1 3.19Å; Y39-I43 PolarHBondContact O-N 3.17Å; Y39-R80 HydrophobicContact CE1-CG 3.72Å; Y39-I83 HydrophobicContact CD1-CD1 4.06Å; Y39-I83 HydrophobicContact CE1-CD1 3.6Å
40	V	78.5	Confident	66.5	Low	66 Å²	66	60.8 Å²	60.8	40%	0.4	31%	0.305	S	S	.	.	H	α-helix	trans	-57.3	-47.9	-176.6	165	0	0	0	0	112.4	F36 I43 Q44	F36-V40 WeakPolarHBondContact O-CG2 3.3Å; F36-V40 PolarHBondContact O-N 3.28Å; V40-I43 PolarHBondContact O-N 3.34Å; V40-Q44 WeakPolarHBondContact O-CG 3.4Å; V40-Q44 PolarHBondContact O-N 3.23Å
41	I	81.3	Confident	69	Low	17 Å²	17	58.4 Å²	58.4	9%	0.087	29%	0.285	C	S	.	.	H	α-helix	trans	-74.5	-45.9	-175.9	-57.2	150.3	0	0	0	111.3	Y39 I43 Q44 I45 I765 V768 K769 R772	Y39-I41 PolarHBondContact O-N 3.01Å; I41-I43 VanDerWaalsContact C-N 3.29Å; I41-I43 PolarHBondContact O-N 3.13Å; I41-Q44 WeakPolarHBondContact O-CB 3.1Å; I41-Q44 PolarHBondContact O-N 3.04Å; I41-Q44 VanDerWaalsContact O-N 3.13Å; I41-I45 HydrophobicContact CG2-CD1 4.48Å; I41-I45 PolarHBondContact O-N 2.97Å; I41-I765 HydrophobicContact CD1-CG2 3.79Å; I41-V768 HydrophobicContact CB-CG1 4.25Å; I41-V768 HydrophobicContact CG2-CG1 3.71Å; I41-K769 HydrophobicContact CD1-CD 4.16Å; I41-K769 VanDerWaalsContact CD1-CE 3.46Å; I41-K769 HydrophobicContact CD1-CG 3.62Å; I41-K769 HydrophobicContact CG1-CG 4.44Å; I41-K769 HydrophobicContact CG2-CG 4.36Å; I41-R772 HydrophobicContact CG2-CB 4.44Å
42	P	83.1	Confident	71.3	Confident	15 Å²	15	59 Å²	59	10%	0.097	29%	0.285	C	S	.	.	H	α-helix	trans	-54.6	-40.7	169.7	-30.8	37.8	0	0	0	114.2	L38 Y39 Q44 I45 V46 L79 V768	L38-P42 WeakPolarHBondContact O-CD 3.33Å; L38-P42 VanDerWaalsContact O-CG 3.24Å; L38-P42 WeakPolarHBondContact O-CG 3.38Å; Y39-P42 WeakPolarHBondContact O-CD 3.3Å; P42-Q44 VanDerWaalsContact C-N 3.35Å; P42-I45 WeakPolarHBondContact O-CB 3.35Å; P42-I45 PolarHBondContact O-N 3.45Å; P42-V46 WeakPolarHBondContact O-CG2 3.47Å; P42-V46 PolarHBondContact O-N 3.1Å; P42-L79 HydrophobicContact CB-CD1 4.03Å; P42-L79 HydrophobicContact CB-CD2 3.33Å; P42-L79 HydrophobicContact CB-CG 4.24Å; P42-V768 HydrophobicContact CG-CG1 4.06Å
43	I	84.6	Confident	73.6	Confident	46 Å²	46	57.9 Å²	57.9	24%	0.236	27%	0.27	C	S	.	.	H	α-helix	trans	-64.5	-40.7	176.2	-70.8	167.2	0	0	0	110.6	Y39 V40 I41 I45 V46 D47 R72	Y39-I43 VanDerWaalsContact O-CB 3.25Å; Y39-I43 WeakPolarHBondContact O-CB 3.4Å; Y39-I43 WeakPolarHBondContact O-CD1 3.5Å; Y39-I43 WeakPolarHBondContact O-CG1 3.19Å; Y39-I43 PolarHBondContact O-N 3.17Å; V40-I43 PolarHBondContact O-N 3.34Å; I41-I43 VanDerWaalsContact C-N 3.29Å; I41-I43 PolarHBondContact O-N 3.13Å; I43-I45 VanDerWaalsContact C-N 3.3Å; I43-I45 PolarHBondContact O-N 3.21Å; I43-V46 WeakPolarHBondContact O-CB 3.41Å; I43-V46 PolarHBondContact O-N 3.26Å; I43-D47 PolarHBondContact O-N 2.92Å; I43-D47 VanDerWaalsContact O-OD1 3.11Å; I43-R72 VanDerWaalsContact CG2-NH2 3.31Å
44	Q	85.5	Confident	75.8	Confident	62 Å²	62	51.2 Å²	51.2	29%	0.29	24%	0.236	S	C	.	.	H	α-helix	trans	-59.6	-40.5	173.2	-73	170.9	7.1	0	0	112.3	V40 I41 P42 D47 Y48	V40-Q44 WeakPolarHBondContact O-CG 3.4Å; V40-Q44 PolarHBondContact O-N 3.23Å; I41-Q44 WeakPolarHBondContact O-CB 3.1Å; I41-Q44 PolarHBondContact O-N 3.04Å; I41-Q44 VanDerWaalsContact O-N 3.13Å; P42-Q44 VanDerWaalsContact C-N 3.35Å; Q44-D47 PolarHBondContact O-N 3.43Å; Q44-Y48 VanDerWaalsContact O-CG 3.28Å; Q44-Y48 PolarHBondContact O-N 2.79Å
45	I	85.7	Confident	77.9	Confident	22 Å²	22	48.5 Å²	48.5	11%	0.113	22%	0.223	C	C	.	.	H	α-helix	trans	-62.2	-44.1	175.8	-68.9	162.4	0	0	0	110.8	I41 P42 I43 D47 Y48 T49 V768 F771 R772 W776	I41-I45 HydrophobicContact CG2-CD1 4.48Å; I41-I45 PolarHBondContact O-N 2.97Å; P42-I45 WeakPolarHBondContact O-CB 3.35Å; P42-I45 PolarHBondContact O-N 3.45Å; I43-I45 VanDerWaalsContact C-N 3.3Å; I43-I45 PolarHBondContact O-N 3.21Å; I45-D47 PolarHBondContact O-N 2.65Å; I45-Y48 PolarHBondContact O-N 3.43Å; I45-T49 WeakPolarHBondContact O-CB 3.27Å; I45-T49 PolarHBondContact O-N 3.07Å; I45-T49 PolarHBondContact O-OG1 2.55Å; I45-V768 HydrophobicContact CD1-CG1 3.48Å; I45-V768 VanDerWaalsContact CD1-CG1 3.48Å; I45-F771 HydrophobicContact CD1-CD1 3.88Å; I45-F771 HydrophobicContact CD1-CE1 4.33Å; I45-F771 HydrophobicContact CG2-CE1 4.06Å; I45-R772 HydrophobicContact CD1-CB 4.02Å; I45-R772 HydrophobicContact CG1-CB 3.83Å; I45-R772 HydrophobicContact CG1-CG 3.93Å; I45-W776 HydrophobicContact CG2-CH2 4.35Å; I45-W776 HydrophobicContact CG2-CZ3 3.95Å
46	V	85.3	Confident	79.8	Confident	11 Å²	11	46.8 Å²	46.8	7%	0.067	22%	0.222	C	C	.	.	H	α-helix	trans	-57.8	-42.4	174.4	170.3	0	0	0	0	110.3	P42 I43 T49 I50 R72 F75 I76	P42-V46 WeakPolarHBondContact O-CG2 3.47Å; P42-V46 PolarHBondContact O-N 3.1Å; I43-V46 WeakPolarHBondContact O-CB 3.41Å; I43-V46 PolarHBondContact O-N 3.26Å; V46-T49 WeakPolarHBondContact O-CB 3.38Å; V46-T49 PolarHBondContact O-N 3.38Å; V46-I50 HydrophobicContact CG1-CD1 3.68Å; V46-I50 HydrophobicContact CG1-CG1 4.45Å; V46-I50 VanDerWaalsContact O-CG1 3.28Å; V46-I50 WeakPolarHBondContact O-CG1 3.24Å; V46-I50 PolarHBondContact O-N 3.1Å; V46-R72 HydrophobicContact CG1-CG 4.36Å; V46-F75 HydrophobicContact CB-CB 4.44Å; V46-F75 HydrophobicContact CG1-CB 3.55Å; V46-F75 HydrophobicContact CG1-CG 4.21Å; V46-F75 HydrophobicContact CG2-CB 4.02Å; V46-I76 HydrophobicContact CG1-CG1 4.48Å
47	D	88.3	Confident	81.7	Confident	47 Å²	47	45.8 Å²	45.8	25%	0.251	22%	0.215	S	C	.	.	H	α-helix	trans	-68.3	-41.9	-177.3	-65.5	-2.1	0	0	0	112.1	I43 Q44 I45 I50 R51 R72	I43-D47 PolarHBondContact O-N 2.92Å; I43-D47 VanDerWaalsContact O-OD1 3.11Å; Q44-D47 PolarHBondContact O-N 3.43Å; I45-D47 PolarHBondContact O-N 2.65Å; D47-I50 PolarHBondContact O-N 3.14Å; D47-R51 WeakPolarHBondContact O-CB 3.37Å; D47-R51 PolarHBondContact O-N 3.46Å; D47-R72 VanDerWaalsContact CG-CZ 3.48Å; D47-R72 VanDerWaalsContact CG-NH2 3.33Å; D47-R72 IonicContact OD1-CZ 3.45Å; D47-R72 IonicContact OD1-NE 3.78Å; D47-R72 IonicContact OD1-NH1 2.69Å; D47-R72 PolarHBondContact OD1-NH1 3.21Å; D47-R72 IonicContact OD1-NH2 3.04Å; D47-R72 PolarHBondContact OD1-NH2 3.41Å; D47-R72 IonicContact OD2-CZ 2.85Å; D47-R72 VanDerWaalsContact OD2-CZ 3.3Å; D47-R72 IonicContact OD2-NH1 3.15Å; D47-R72 PolarHBondContact OD2-NH1 2.95Å; D47-R72 IonicContact OD2-NH2 3.34Å; D47-R72 PolarHBondContact OD2-NH2 2.9Å
48	Y	88.5	Confident	83	Confident	55 Å²	55	37.9 Å²	37.9	22%	0.216	19%	0.185	C	C	.	.	H	α-helix	trans	-65.4	-41.4	173.5	-62.5	-21.3	0	0	0	111.8	Q44 I45 I50 R51 D52 R772 W776	Q44-Y48 VanDerWaalsContact O-CG 3.28Å; Q44-Y48 PolarHBondContact O-N 2.79Å; I45-Y48 PolarHBondContact O-N 3.43Å; Y48-I50 VanDerWaalsContact C-N 3.34Å; Y48-I50 PolarHBondContact O-N 3.37Å; Y48-R51 PolarHBondContact O-N 3.2Å; Y48-D52 WeakPolarHBondContact O-CB 3.25Å; Y48-D52 PolarHBondContact O-N 3.06Å; Y48-R772 HydrophobicContact CD2-CG 4.39Å; Y48-R772 HydrophobicContact CE2-CG 4.14Å; Y48-W776 HydrophobicContact CD2-CB 3.73Å; Y48-W776 AromaticContact CD2-CD2 3.98Å; Y48-W776 HydrophobicContact CD2-CD2 3.98Å; Y48-W776 HydrophobicContact CD2-CE3 4.35Å; Y48-W776 AromaticContact CD2-CG 3.68Å; Y48-W776 HydrophobicContact CD2-CG 3.68Å; Y48-W776 HydrophobicContact CE2-CB 4.13Å; Y48-W776 HydrophobicContact CG-CD2 4.33Å; Y48-W776 HydrophobicContact CG-CG 4.1Å
49	T	84.4	Confident	84.2	Confident	6 Å²	6	40.2 Å²	40.2	4%	0.037	20%	0.203	C	C	.	.	H	α-helix	trans	-59.2	-46.8	176.4	-57.6	0	0	0	0	110.8	I45 V46 Y53 F75 V192 W776	I45-T49 WeakPolarHBondContact O-CB 3.27Å; I45-T49 PolarHBondContact O-N 3.07Å; I45-T49 PolarHBondContact O-OG1 2.55Å; V46-T49 WeakPolarHBondContact O-CB 3.38Å; V46-T49 PolarHBondContact O-N 3.38Å; T49-Y53 HydrophobicContact CG2-CD2 3.96Å; T49-Y53 VanDerWaalsContact O-CB 3.32Å; T49-Y53 WeakPolarHBondContact O-CB 3.45Å; T49-Y53 WeakPolarHBondContact O-CD2 3.32Å; T49-Y53 PolarHBondContact O-N 3.32Å; T49-F75 HydrophobicContact CG2-CE1 4.41Å; T49-F75 HydrophobicContact CG2-CZ 4.23Å; T49-V192 HydrophobicContact CG2-CG1 3.62Å; T49-W776 WeakPolarHBondContact OG1-CH2 3.3Å
50	I	85.4	Confident	85.2	Confident	13 Å²	13	47.1 Å²	47.1	7%	0.067	23%	0.234	C	C	.	.	H	α-helix	trans	-68.1	-42.6	179.4	-67.4	168.4	0	0	0	110.9	V46 D47 Y48 D52 V54 T55 V71 R72 F75	V46-I50 HydrophobicContact CG1-CD1 3.68Å; V46-I50 HydrophobicContact CG1-CG1 4.45Å; V46-I50 VanDerWaalsContact O-CG1 3.28Å; V46-I50 WeakPolarHBondContact O-CG1 3.24Å; V46-I50 PolarHBondContact O-N 3.1Å; D47-I50 PolarHBondContact O-N 3.14Å; Y48-I50 VanDerWaalsContact C-N 3.34Å; Y48-I50 PolarHBondContact O-N 3.37Å; I50-D52 PolarHBondContact O-N 2.97Å; I50-V54 HydrophobicContact CG2-CB 4.28Å; I50-V54 CarbonylContact O-C 3.45Å; I50-V54 WeakPolarHBondContact O-CA 3.26Å; I50-V54 WeakPolarHBondContact O-CB 3.47Å; I50-V54 PolarHBondContact O-N 2.96Å; I50-T55 PolarHBondContact O-N 3.21Å; I50-T55 PolarHBondContact O-OG1 3.32Å; I50-V71 HydrophobicContact CD1-CG1 4.29Å; I50-V71 HydrophobicContact CG1-CG1 4.14Å; I50-R72 HydrophobicContact CD1-CB 3.51Å; I50-R72 HydrophobicContact CD1-CG 3.86Å; I50-F75 HydrophobicContact CD1-CD2 4.37Å; I50-F75 HydrophobicContact CG1-CD2 4.37Å
51	R	89	Confident	85.5	Confident	97 Å²	97	49.6 Å²	49.6	37%	0.366	24%	0.244	S	C	.	.	I	π-helix	trans	-56.1	-51.5	177.3	-175.4	-166.8	68.8	-163.7	-7.8	111.3	D47 Y48 S56 G779	D47-R51 WeakPolarHBondContact O-CB 3.37Å; D47-R51 PolarHBondContact O-N 3.46Å; Y48-R51 PolarHBondContact O-N 3.2Å; R51-S56 PolarHBondContact O-N 3.14Å; R51-S56 VanDerWaalsContact O-N 3.16Å; R51-G779 VanDerWaalsContact CZ-O 3.26Å; R51-G779 PolarHBondContact NH1-O 2.7Å; R51-G779 PolarHBondContact NH2-O 2.9Å
52	D	85.8	Confident	85.7	Confident	37 Å²	37	51.5 Å²	51.5	20%	0.198	26%	0.256	C	S	.	.	I	π-helix	trans	-85.9	-33.7	-168.5	-62.7	-27.1	0	0	0	113	Y48 I50 S56 W776 L781	Y48-D52 WeakPolarHBondContact O-CB 3.25Å; Y48-D52 PolarHBondContact O-N 3.06Å; I50-D52 PolarHBondContact O-N 2.97Å; D52-S56 VanDerWaalsContact O-CB 3.24Å; D52-S56 WeakPolarHBondContact O-CB 3.46Å; D52-S56 PolarHBondContact O-OG 2.8Å; D52-W776 VanDerWaalsContact OD2-CD1 3.3Å; D52-W776 PolarHBondContact OD2-NE1 2.78Å; D52-L781 HydrophobicContact CB-CD2 4.42Å
53	Y	84.3	Confident	85.7	Confident	47 Å²	47	58.8 Å²	58.8	18%	0.184	29%	0.294	C	S	.	.	I	π-helix	trans	-104.8	-11.1	-175.2	-61	-73.1	0	0	0	114.9	T49 W57 Q196 W776 L781	T49-Y53 HydrophobicContact CG2-CD2 3.96Å; T49-Y53 VanDerWaalsContact O-CB 3.32Å; T49-Y53 WeakPolarHBondContact O-CB 3.45Å; T49-Y53 WeakPolarHBondContact O-CD2 3.32Å; T49-Y53 PolarHBondContact O-N 3.32Å; Y53-W57 PolarHBondContact O-NE1 3.39Å; Y53-Q196 HydrophobicContact CD1-CG 4.29Å; Y53-Q196 HydrophobicContact CE1-CB 4.15Å; Y53-Q196 HydrophobicContact CE1-CG 4.13Å; Y53-W776 AromaticContact CE2-CZ2 3.98Å; Y53-W776 HydrophobicContact CE2-CZ2 3.98Å; Y53-L781 HydrophobicContact CE2-CD1 4.41Å; Y53-L781 WeakPolarHBondContact OH-CD1 3.35Å
54	V	83	Confident	85.6	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.3	C	S	.	.	I	π-helix	trans	-123.1	-61.8	-178.6	-171.4	0	0	0	0	110.9	I50 S56 W57 Y58 F67 T68 V71 L188	I50-V54 HydrophobicContact CG2-CB 4.28Å; I50-V54 CarbonylContact O-C 3.45Å; I50-V54 WeakPolarHBondContact O-CA 3.26Å; I50-V54 WeakPolarHBondContact O-CB 3.47Å; I50-V54 PolarHBondContact O-N 2.96Å; V54-S56 PolarHBondContact O-N 3.43Å; V54-W57 HydrophobicContact CG1-CZ2 4.33Å; V54-W57 PolarHBondContact O-N 3.01Å; V54-W57 PolarHBondContact O-NE1 2.96Å; V54-Y58 WeakPolarHBondContact O-CB 3.35Å; V54-Y58 PolarHBondContact O-N 3.29Å; V54-F67 HydrophobicContact CG1-CD1 4.27Å; V54-F67 HydrophobicContact CG1-CE1 3.77Å; V54-T68 HydrophobicContact CG1-CG2 4.2Å; V54-V71 HydrophobicContact CG2-CG1 4.41Å; V54-L188 HydrophobicContact CG1-CD1 4.1Å; V54-L188 HydrophobicContact CG2-CD1 4.11Å; V54-L188 HydrophobicContact CG2-CD2 3.81Å; V54-L188 HydrophobicContact CG2-CG 4.47Å
55	T	85.9	Confident	85.4	Confident	50 Å²	50	60.7 Å²	60.7	31%	0.307	31%	0.307	S	S	.	.	I	π-helix	trans	-62.1	-32.4	-176.4	-54.4	0	0	0	0	111.9	I50 W57 Y58 S59	I50-T55 PolarHBondContact O-N 3.21Å; I50-T55 PolarHBondContact O-OG1 3.32Å; T55-W57 PolarHBondContact O-N 3.48Å; T55-Y58 PolarHBondContact O-N 2.91Å; T55-S59 VanDerWaalsContact O-CB 3.29Å; T55-S59 WeakPolarHBondContact O-CB 3.43Å; T55-S59 PolarHBondContact O-N 2.9Å; T55-S59 PolarHBondContact O-OG 3.2Å
56	S	84.3	Confident	85	Confident	54 Å²	54	60.7 Å²	60.7	38%	0.378	31%	0.313	S	S	.	.	H	α-helix	trans	-55.9	-32.3	-179	61.5	0	0	0	0	114.8	R51 D52 V54 K60	R51-S56 PolarHBondContact O-N 3.14Å; R51-S56 VanDerWaalsContact O-N 3.16Å; D52-S56 VanDerWaalsContact O-CB 3.24Å; D52-S56 WeakPolarHBondContact O-CB 3.46Å; D52-S56 PolarHBondContact O-OG 2.8Å; V54-S56 PolarHBondContact O-N 3.43Å; S56-K60 WeakPolarHBondContact O-CE 3.42Å
57	W	86.4	Confident	84.7	Confident	96 Å²	96	61.3 Å²	61.3	36%	0.364	32%	0.315	S	S	.	.	H	α-helix	trans	-109.4	-34.7	174.8	60.3	-94.8	0	0	0	112.3	Y53 V54 T55 S59 K60 L61 F67 L188	Y53-W57 PolarHBondContact O-NE1 3.39Å; V54-W57 HydrophobicContact CG1-CZ2 4.33Å; V54-W57 PolarHBondContact O-N 3.01Å; V54-W57 PolarHBondContact O-NE1 2.96Å; T55-W57 PolarHBondContact O-N 3.48Å; W57-S59 PolarHBondContact O-N 3.18Å; W57-K60 WeakPolarHBondContact O-CB 3.44Å; W57-K60 PolarHBondContact O-N 3.24Å; W57-L61 HydrophobicContact CE3-CD1 3.82Å; W57-L61 HydrophobicContact CZ3-CD1 3.83Å; W57-F67 HydrophobicContact CH2-CE1 4.3Å; W57-L188 HydrophobicContact CH2-CD1 4.46Å; W57-L188 HydrophobicContact CZ2-CD1 3.8Å
58	Y	83.6	Confident	84.4	Confident	11 Å²	11	60.1 Å²	60.1	4%	0.043	31%	0.309	C	S	.	.	H	α-helix	trans	-68.5	-37.3	-174.9	-178.5	-102.3	0	0	0	112.9	V54 T55 K60 L61 T62 D64 F67 T68	V54-Y58 WeakPolarHBondContact O-CB 3.35Å; V54-Y58 PolarHBondContact O-N 3.29Å; T55-Y58 PolarHBondContact O-N 2.91Å; Y58-K60 PolarHBondContact O-N 3.44Å; Y58-K60 VanDerWaalsContact O-N 3.15Å; Y58-L61 WeakPolarHBondContact O-CB 3.47Å; Y58-L61 PolarHBondContact O-N 3.09Å; Y58-T62 HydrophobicContact CD1-CG2 4.44Å; Y58-T62 HydrophobicContact CE1-CG2 3.73Å; Y58-T62 HydrophobicContact CE2-CG2 3.81Å; Y58-T62 PolarHBondContact O-N 3.39Å; Y58-T62 VanDerWaalsContact OH-CG2 3.29Å; Y58-T62 WeakPolarHBondContact OH-CG2 3.36Å; Y58-D64 WeakPolarHBondContact CE1-O 3.03Å; Y58-D64 PolarHBondContact OH-O 2.79Å; Y58-F67 HydrophobicContact CD1-CD1 4.12Å; Y58-F67 AromaticContact CD2-CD1 3.72Å; Y58-F67 HydrophobicContact CD2-CD1 3.72Å; Y58-F67 HydrophobicContact CD2-CE1 4.17Å; Y58-F67 HydrophobicContact CD2-CG 4.45Å; Y58-F67 HydrophobicContact CE1-CB 3.8Å; Y58-F67 HydrophobicContact CE1-CD1 4.03Å; Y58-F67 HydrophobicContact CE1-CG 4.36Å; Y58-F67 HydrophobicContact CE2-CB 3.93Å; Y58-F67 AromaticContact CE2-CD1 3.65Å; Y58-F67 HydrophobicContact CE2-CD1 3.65Å; Y58-F67 HydrophobicContact CE2-CE1 4.4Å; Y58-F67 AromaticContact CE2-CG 3.92Å; Y58-F67 HydrophobicContact CE2-CG 3.92Å; Y58-F67 AromaticContact CG-CD1 3.97Å; Y58-F67 HydrophobicContact CG-CD1 3.97Å; Y58-F67 AromaticContact CZ-CD1 3.83Å; Y58-F67 AromaticContact CZ-CG 3.89Å; Y58-F67 WeakPolarHBondContact OH-CB 3.36Å; Y58-T68 HydrophobicContact CD1-CG2 3.71Å; Y58-T68 HydrophobicContact CE1-CG2 4.15Å
59	S	86.1	Confident	84.1	Confident	65 Å²	65	62.8 Å²	62.8	46%	0.455	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18	175.9	61	0	0	0	0	113.8	T55 W57 L61	T55-S59 VanDerWaalsContact O-CB 3.29Å; T55-S59 WeakPolarHBondContact O-CB 3.43Å; T55-S59 PolarHBondContact O-N 2.9Å; T55-S59 PolarHBondContact O-OG 3.2Å; W57-S59 PolarHBondContact O-N 3.18Å; S59-L61 VanDerWaalsContact C-N 3.32Å
60	K	89.7	Confident	83.7	Confident	173 Å²	173	63.4 Å²	63.4	75%	0.752	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-18.8	174.2	-58	176.3	179.2	167.6	0	112.3	S56 W57 Y58	S56-K60 WeakPolarHBondContact O-CE 3.42Å; W57-K60 WeakPolarHBondContact O-CB 3.44Å; W57-K60 PolarHBondContact O-N 3.24Å; Y58-K60 PolarHBondContact O-N 3.44Å; Y58-K60 VanDerWaalsContact O-N 3.15Å
61	L	85.1	Confident	83.4	Confident	118 Å²	118	63 Å²	63	62%	0.618	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-38	-178	-59.4	175.1	0	0	0	111.9	W57 Y58 S59	W57-L61 HydrophobicContact CE3-CD1 3.82Å; W57-L61 HydrophobicContact CZ3-CD1 3.83Å; Y58-L61 WeakPolarHBondContact O-CB 3.47Å; Y58-L61 PolarHBondContact O-N 3.09Å; S59-L61 VanDerWaalsContact C-N 3.32Å
62	T	84.9	Confident	83.2	Confident	56 Å²	56	62.6 Å²	62.6	34%	0.344	32%	0.323	S	S	.	.			trans	-155.2	155.5	-175.9	-177.2	0	0	0	0	112.6	Y58 D64	Y58-T62 HydrophobicContact CD1-CG2 4.44Å; Y58-T62 HydrophobicContact CE1-CG2 3.73Å; Y58-T62 HydrophobicContact CE2-CG2 3.81Å; Y58-T62 PolarHBondContact O-N 3.39Å; Y58-T62 VanDerWaalsContact OH-CG2 3.29Å; Y58-T62 WeakPolarHBondContact OH-CG2 3.36Å; T62-D64 HydrophobicContact CG2-CB 4.39Å; T62-D64 PolarHBondContact OG1-N 2.87Å; T62-D64 VanDerWaalsContact OG1-N 3.14Å
63	N	83.3	Confident	82.9	Confident	168 Å²	168	64.1 Å²	64.1	90%	0.898	33%	0.326	S	S	*	.	S	Bend	trans	-87.6	-5.2	171.6	-66.5	-30.5	0	0	0	112.9	D65	N63-D65 PolarHBondContact O-N 3.29Å
64	D	83.4	Confident	82.6	Confident	68 Å²	68	62.6 Å²	62.6	36%	0.364	32%	0.321	S	S	.	.			trans	-73.9	121.8	177.8	-178.3	81.5	0	0	0	111.1	Y58 T62 G66	Y58-D64 WeakPolarHBondContact CE1-O 3.03Å; Y58-D64 PolarHBondContact OH-O 2.79Å; T62-D64 HydrophobicContact CG2-CB 4.39Å; T62-D64 PolarHBondContact OG1-N 2.87Å; T62-D64 VanDerWaalsContact OG1-N 3.14Å; D64-G66 WeakPolarHBondContact OD2-CA 3.42Å; D64-G66 PolarHBondContact OD2-N 2.96Å
65	D	79.9	Confident	82.5	Confident	80 Å²	80	63.3 Å²	63.3	43%	0.428	33%	0.325	S	S	.	.			trans	-94.8	7.3	179.9	70.7	2.5	0	0	0	113.7	N63 F67 T68 K69	N63-D65 PolarHBondContact O-N 3.29Å; D65-F67 VanDerWaalsContact C-N 3.34Å; D65-F67 PolarHBondContact O-N 2.86Å; D65-T68 PolarHBondContact O-N 2.66Å; D65-T68 PolarHBondContact O-OG1 2.84Å; D65-K69 VanDerWaalsContact CG-CE 3.41Å; D65-K69 WeakPolarHBondContact O-CB 3.46Å; D65-K69 WeakPolarHBondContact O-CG 3.2Å; D65-K69 PolarHBondContact O-N 2.86Å; D65-K69 WeakPolarHBondContact OD1-CE 3.15Å; D65-K69 IonicContact OD1-NZ 3.65Å; D65-K69 PolarHBondContact OD1-NZ 3.29Å; D65-K69 WeakPolarHBondContact OD2-CE 3.39Å; D65-K69 IonicContact OD2-NZ 3.45Å; D65-K69 PolarHBondContact OD2-NZ 3.12Å
66	G	79.2	Confident	82.3	Confident	23 Å²	23	62 Å²	62	24%	0.237	32%	0.315	C	S	.	.	H	α-helix	trans	-62.4	-41.8	-178.4	0	0	0	0	0	112.1	D64 S70	D64-G66 WeakPolarHBondContact OD2-CA 3.42Å; D64-G66 PolarHBondContact OD2-N 2.96Å; G66-S70 WeakPolarHBondContact O-CB 3.44Å; G66-S70 PolarHBondContact O-N 3.12Å; G66-S70 PolarHBondContact O-OG 2.63Å
67	F	78.6	Confident	82.1	Confident	23 Å²	23	60.3 Å²	60.3	10%	0.101	30%	0.303	C	S	.	.	H	α-helix	trans	-62.2	-50.7	176.5	179	-108	0	0	0	112.4	V54 W57 Y58 D65 K69 S70 V71 I184 F185 L188	V54-F67 HydrophobicContact CG1-CD1 4.27Å; V54-F67 HydrophobicContact CG1-CE1 3.77Å; W57-F67 HydrophobicContact CH2-CE1 4.3Å; Y58-F67 HydrophobicContact CD1-CD1 4.12Å; Y58-F67 AromaticContact CD2-CD1 3.72Å; Y58-F67 HydrophobicContact CD2-CD1 3.72Å; Y58-F67 HydrophobicContact CD2-CE1 4.17Å; Y58-F67 HydrophobicContact CD2-CG 4.45Å; Y58-F67 HydrophobicContact CE1-CB 3.8Å; Y58-F67 HydrophobicContact CE1-CD1 4.03Å; Y58-F67 HydrophobicContact CE1-CG 4.36Å; Y58-F67 HydrophobicContact CE2-CB 3.93Å; Y58-F67 AromaticContact CE2-CD1 3.65Å; Y58-F67 HydrophobicContact CE2-CD1 3.65Å; Y58-F67 HydrophobicContact CE2-CE1 4.4Å; Y58-F67 AromaticContact CE2-CG 3.92Å; Y58-F67 HydrophobicContact CE2-CG 3.92Å; Y58-F67 AromaticContact CG-CD1 3.97Å; Y58-F67 HydrophobicContact CG-CD1 3.97Å; Y58-F67 AromaticContact CZ-CD1 3.83Å; Y58-F67 AromaticContact CZ-CG 3.89Å; Y58-F67 WeakPolarHBondContact OH-CB 3.36Å; D65-F67 VanDerWaalsContact C-N 3.34Å; D65-F67 PolarHBondContact O-N 2.86Å; F67-K69 VanDerWaalsContact C-N 3.32Å; F67-K69 PolarHBondContact O-N 3.26Å; F67-S70 WeakPolarHBondContact O-CB 3.4Å; F67-S70 PolarHBondContact O-N 3.03Å; F67-S70 VanDerWaalsContact O-N 3.11Å; F67-V71 HydrophobicContact CD1-CG2 4.23Å; F67-V71 HydrophobicContact CE1-CG2 3.87Å; F67-V71 HydrophobicContact CE2-CG2 4.15Å; F67-V71 HydrophobicContact CZ-CG2 3.82Å; F67-V71 WeakPolarHBondContact O-CG2 3.47Å; F67-V71 PolarHBondContact O-N 2.9Å; F67-I184 HydrophobicContact CE2-CG2 4.2Å; F67-F185 HydrophobicContact CD2-CD1 4.19Å; F67-F185 AromaticContact CD2-CE1 3.28Å; F67-F185 HydrophobicContact CD2-CE1 3.28Å; F67-F185 HydrophobicContact CD2-CE2 4.33Å; F67-F185 AromaticContact CD2-CZ 3.37Å; F67-F185 HydrophobicContact CD2-CZ 3.37Å; F67-F185 AromaticContact CE2-CD1 3.69Å; F67-F185 HydrophobicContact CE2-CD1 3.69Å; F67-F185 AromaticContact CE2-CE1 3.26Å; F67-F185 HydrophobicContact CE2-CE1 3.26Å; F67-F185 HydrophobicContact CE2-CE2 4.35Å; F67-F185 HydrophobicContact CE2-CG 4.4Å; F67-F185 AromaticContact CE2-CZ 3.64Å; F67-F185 HydrophobicContact CE2-CZ 3.64Å; F67-F185 HydrophobicContact CG-CE1 4.22Å; F67-F185 HydrophobicContact CG-CZ 4.45Å; F67-F185 HydrophobicContact CZ-CD1 4.4Å; F67-F185 HydrophobicContact CZ-CE1 4.2Å; F67-L188 HydrophobicContact CE1-CD1 4.07Å; F67-L188 HydrophobicContact CZ-CD1 3.87Å
68	T	81	Confident	81.9	Confident	23 Å²	23	56 Å²	56	14%	0.141	29%	0.288	C	S	.	.	H	α-helix	trans	-65.1	-36.1	-178.3	51.1	0	0	0	0	111.9	V54 Y58 D65 V71 R72	V54-T68 HydrophobicContact CG1-CG2 4.2Å; Y58-T68 HydrophobicContact CD1-CG2 3.71Å; Y58-T68 HydrophobicContact CE1-CG2 4.15Å; D65-T68 PolarHBondContact O-N 2.66Å; D65-T68 PolarHBondContact O-OG1 2.84Å; T68-V71 PolarHBondContact O-N 3.37Å; T68-R72 WeakPolarHBondContact O-CB 3.35Å; T68-R72 PolarHBondContact O-N 2.92Å
69	K	82.4	Confident	81.9	Confident	111 Å²	111	57 Å²	57	48%	0.483	29%	0.294	S	S	.	.	H	α-helix	trans	-62.5	-41.9	171.1	-75.4	171.9	-179.9	157.4	0	112.5	D65 F67 R72 Y73	D65-K69 VanDerWaalsContact CG-CE 3.41Å; D65-K69 WeakPolarHBondContact O-CB 3.46Å; D65-K69 WeakPolarHBondContact O-CG 3.2Å; D65-K69 PolarHBondContact O-N 2.86Å; D65-K69 WeakPolarHBondContact OD1-CE 3.15Å; D65-K69 IonicContact OD1-NZ 3.65Å; D65-K69 PolarHBondContact OD1-NZ 3.29Å; D65-K69 WeakPolarHBondContact OD2-CE 3.39Å; D65-K69 IonicContact OD2-NZ 3.45Å; D65-K69 PolarHBondContact OD2-NZ 3.12Å; F67-K69 VanDerWaalsContact C-N 3.32Å; F67-K69 PolarHBondContact O-N 3.26Å; K69-R72 WeakPolarHBondContact O-CB 3.38Å; K69-R72 PolarHBondContact O-N 3.17Å; K69-Y73 PolarHBondContact O-N 3.13Å
70	S	77.1	Confident	81.7	Confident	18 Å²	18	59.1 Å²	59.1	13%	0.126	29%	0.292	C	S	.	.	H	α-helix	trans	-66.3	-45.1	176.3	-64.6	0	0	0	0	111.9	G66 F67 R72 Y73 L74	G66-S70 WeakPolarHBondContact O-CB 3.44Å; G66-S70 PolarHBondContact O-N 3.12Å; G66-S70 PolarHBondContact O-OG 2.63Å; F67-S70 WeakPolarHBondContact O-CB 3.4Å; F67-S70 PolarHBondContact O-N 3.03Å; F67-S70 VanDerWaalsContact O-N 3.11Å; S70-R72 VanDerWaalsContact C-N 3.3Å; S70-R72 PolarHBondContact O-N 3.45Å; S70-Y73 WeakPolarHBondContact O-CB 3.32Å; S70-Y73 PolarHBondContact O-N 3.42Å; S70-L74 WeakPolarHBondContact O-CG 3.32Å; S70-L74 PolarHBondContact O-N 3.37Å
71	V	78.4	Confident	81.4	Confident	4 Å²	4	53 Å²	53	2%	0.024	27%	0.269	C	S	.	.	H	α-helix	trans	-55.3	-48	173	173.8	0	0	0	0	110.2	I50 V54 F67 T68 Y73 L74 F75 F185 L188	I50-V71 HydrophobicContact CD1-CG1 4.29Å; I50-V71 HydrophobicContact CG1-CG1 4.14Å; V54-V71 HydrophobicContact CG2-CG1 4.41Å; F67-V71 HydrophobicContact CD1-CG2 4.23Å; F67-V71 HydrophobicContact CE1-CG2 3.87Å; F67-V71 HydrophobicContact CE2-CG2 4.15Å; F67-V71 HydrophobicContact CZ-CG2 3.82Å; F67-V71 WeakPolarHBondContact O-CG2 3.47Å; F67-V71 PolarHBondContact O-N 2.9Å; T68-V71 PolarHBondContact O-N 3.37Å; V71-Y73 VanDerWaalsContact C-N 3.35Å; V71-Y73 PolarHBondContact O-N 3.43Å; V71-L74 PolarHBondContact O-N 3.49Å; V71-L74 VanDerWaalsContact O-N 3.17Å; V71-F75 HydrophobicContact CG1-CD2 3.56Å; V71-F75 HydrophobicContact CG1-CE2 3.51Å; V71-F75 WeakPolarHBondContact O-CD2 3.43Å; V71-F75 PolarHBondContact O-N 3.46Å; V71-F185 HydrophobicContact CG2-CD1 3.68Å; V71-F185 HydrophobicContact CG2-CE1 3.69Å; V71-L188 HydrophobicContact CG1-CD2 3.99Å; V71-L188 HydrophobicContact CG2-CD2 4.37Å
72	R	84	Confident	81.4	Confident	90 Å²	90	50.3 Å²	50.3	34%	0.34	25%	0.254	S	S	.	.	H	α-helix	trans	-56	-46.9	177	-170.9	-168.3	173	104.3	13.2	112.6	I43 V46 D47 I50 T68 K69 S70 L74 F75 I76	I43-R72 VanDerWaalsContact CG2-NH2 3.31Å; V46-R72 HydrophobicContact CG1-CG 4.36Å; D47-R72 VanDerWaalsContact CG-CZ 3.48Å; D47-R72 VanDerWaalsContact CG-NH2 3.33Å; D47-R72 IonicContact OD1-CZ 3.45Å; D47-R72 IonicContact OD1-NE 3.78Å; D47-R72 IonicContact OD1-NH1 2.69Å; D47-R72 PolarHBondContact OD1-NH1 3.21Å; D47-R72 IonicContact OD1-NH2 3.04Å; D47-R72 PolarHBondContact OD1-NH2 3.41Å; D47-R72 IonicContact OD2-CZ 2.85Å; D47-R72 VanDerWaalsContact OD2-CZ 3.3Å; D47-R72 IonicContact OD2-NH1 3.15Å; D47-R72 PolarHBondContact OD2-NH1 2.95Å; D47-R72 IonicContact OD2-NH2 3.34Å; D47-R72 PolarHBondContact OD2-NH2 2.9Å; I50-R72 HydrophobicContact CD1-CB 3.51Å; I50-R72 HydrophobicContact CD1-CG 3.86Å; T68-R72 WeakPolarHBondContact O-CB 3.35Å; T68-R72 PolarHBondContact O-N 2.92Å; K69-R72 WeakPolarHBondContact O-CB 3.38Å; K69-R72 PolarHBondContact O-N 3.17Å; S70-R72 VanDerWaalsContact C-N 3.3Å; S70-R72 PolarHBondContact O-N 3.45Å; R72-L74 VanDerWaalsContact C-N 3.32Å; R72-L74 PolarHBondContact O-N 3.4Å; R72-F75 PolarHBondContact O-N 3.46Å; R72-I76 HydrophobicContact CG-CD1 3.93Å; R72-I76 VanDerWaalsContact O-CG1 3.32Å; R72-I76 WeakPolarHBondContact O-CG1 3.48Å; R72-I76 PolarHBondContact O-N 2.96Å
73	Y	80.4	Confident	81.4	Confident	69 Å²	69	48.6 Å²	48.6	27%	0.271	24%	0.243	S	C	.	.	H	α-helix	trans	-59.5	-42.9	177.8	171.7	-95.3	0	0	0	112	M25 K69 S70 V71 I76 T77	M25-Y73 HydrophobicContact CE-CE2 4.48Å; M25-Y73 HydrophobicContact SD-CE2 3.59Å; M25-Y73 VanDerWaalsContact SD-CE2 3.59Å; K69-Y73 PolarHBondContact O-N 3.13Å; S70-Y73 WeakPolarHBondContact O-CB 3.32Å; S70-Y73 PolarHBondContact O-N 3.42Å; V71-Y73 VanDerWaalsContact C-N 3.35Å; V71-Y73 PolarHBondContact O-N 3.43Å; Y73-I76 PolarHBondContact O-N 2.91Å; Y73-T77 WeakPolarHBondContact O-CB 3.33Å; Y73-T77 PolarHBondContact O-N 2.91Å; Y73-T77 PolarHBondContact O-OG1 2.98Å
74	L	78.2	Confident	81.4	Confident	15 Å²	15	43 Å²	43	8%	0.079	22%	0.22	C	C	.	.	H	α-helix	trans	-65.2	-45.3	178.3	-66.8	175.7	0	0	0	111.8	S70 V71 R72 I76 T77 A78 L175 F185	S70-L74 WeakPolarHBondContact O-CG 3.32Å; S70-L74 PolarHBondContact O-N 3.37Å; V71-L74 PolarHBondContact O-N 3.49Å; V71-L74 VanDerWaalsContact O-N 3.17Å; R72-L74 VanDerWaalsContact C-N 3.32Å; R72-L74 PolarHBondContact O-N 3.4Å; L74-I76 VanDerWaalsContact C-N 3.34Å; L74-I76 PolarHBondContact O-N 2.85Å; L74-T77 PolarHBondContact O-N 3.36Å; L74-A78 WeakPolarHBondContact O-CB 3.45Å; L74-A78 PolarHBondContact O-N 3.23Å; L74-L175 HydrophobicContact CB-CD1 4.41Å; L74-L175 HydrophobicContact CD2-CD1 4.11Å; L74-L175 HydrophobicContact CD2-CD2 4.28Å; L74-F185 HydrophobicContact CD1-CB 3.68Å; L74-F185 HydrophobicContact CD1-CD1 3.95Å; L74-F185 HydrophobicContact CD1-CG 3.92Å
75	F	81.1	Confident	81.5	Confident	15 Å²	15	40.1 Å²	40.1	7%	0.066	21%	0.206	C	C	.	.	H	α-helix	trans	-59.3	-43.2	175	-89.1	-79.7	0	0	0	112.2	V46 T49 I50 V71 R72 A78 L79 L188 L189 V192 L193	V46-F75 HydrophobicContact CB-CB 4.44Å; V46-F75 HydrophobicContact CG1-CB 3.55Å; V46-F75 HydrophobicContact CG1-CG 4.21Å; V46-F75 HydrophobicContact CG2-CB 4.02Å; T49-F75 HydrophobicContact CG2-CE1 4.41Å; T49-F75 HydrophobicContact CG2-CZ 4.23Å; I50-F75 HydrophobicContact CD1-CD2 4.37Å; I50-F75 HydrophobicContact CG1-CD2 4.37Å; V71-F75 HydrophobicContact CG1-CD2 3.56Å; V71-F75 HydrophobicContact CG1-CE2 3.51Å; V71-F75 WeakPolarHBondContact O-CD2 3.43Å; V71-F75 PolarHBondContact O-N 3.46Å; R72-F75 PolarHBondContact O-N 3.46Å; F75-A78 PolarHBondContact O-N 3.32Å; F75-L79 VanDerWaalsContact O-CB 3.24Å; F75-L79 WeakPolarHBondContact O-CB 3.41Å; F75-L79 PolarHBondContact O-N 3.28Å; F75-L188 HydrophobicContact CE2-CD2 4.47Å; F75-L189 HydrophobicContact CD1-CD1 3.73Å; F75-L189 HydrophobicContact CD2-CD1 4.03Å; F75-L189 HydrophobicContact CE1-CD1 3.39Å; F75-L189 HydrophobicContact CE2-CD1 3.71Å; F75-L189 HydrophobicContact CG-CD1 4.04Å; F75-L189 HydrophobicContact CZ-CD1 3.38Å; F75-V192 HydrophobicContact CZ-CB 4.43Å; F75-V192 HydrophobicContact CZ-CG1 4.02Å; F75-L193 HydrophobicContact CE1-CD2 3.86Å; F75-L193 HydrophobicContact CE1-CG 4.21Å
76	I	82.4	Confident	81.9	Confident	22 Å²	22	38.8 Å²	38.8	11%	0.113	20%	0.199	C	C	.	.	H	α-helix	trans	-65.9	-40.2	177.8	-68.6	170.9	0	0	0	111.1	V46 R72 Y73 L74 L79 R80	V46-I76 HydrophobicContact CG1-CG1 4.48Å; R72-I76 HydrophobicContact CG-CD1 3.93Å; R72-I76 VanDerWaalsContact O-CG1 3.32Å; R72-I76 WeakPolarHBondContact O-CG1 3.48Å; R72-I76 PolarHBondContact O-N 2.96Å; Y73-I76 PolarHBondContact O-N 2.91Å; L74-I76 VanDerWaalsContact C-N 3.34Å; L74-I76 PolarHBondContact O-N 2.85Å; I76-L79 PolarHBondContact O-N 2.86Å; I76-R80 WeakPolarHBondContact O-CG 3.28Å; I76-R80 PolarHBondContact O-N 3.3Å
77	T	80.2	Confident	82.2	Confident	19 Å²	19	44 Å²	44	12%	0.117	22%	0.215	C	C	.	.	H	α-helix	trans	-63.8	-48.4	177.1	-59.2	0	0	0	0	110.8	Y73 L74 L79 R80 V81 L175	Y73-T77 WeakPolarHBondContact O-CB 3.33Å; Y73-T77 PolarHBondContact O-N 2.91Å; Y73-T77 PolarHBondContact O-OG1 2.98Å; L74-T77 PolarHBondContact O-N 3.36Å; T77-L79 VanDerWaalsContact C-N 3.33Å; T77-L79 PolarHBondContact O-N 3.37Å; T77-R80 WeakPolarHBondContact O-CB 3.39Å; T77-R80 PolarHBondContact O-N 3.06Å; T77-V81 PolarHBondContact O-N 3.05Å; T77-V81 VanDerWaalsContact O-N 3.1Å; T77-L175 HydrophobicContact CG2-CD2 4.07Å
78	A	80.8	Confident	82.5	Confident	6 Å²	6	49.6 Å²	49.6	5%	0.05	25%	0.246	C	C	.	.	H	α-helix	trans	-57.9	-45.9	175.9	0	0	0	0	0	111.6	L74 F75 R80 V81 L82 L174 L175	L74-A78 WeakPolarHBondContact O-CB 3.45Å; L74-A78 PolarHBondContact O-N 3.23Å; F75-A78 PolarHBondContact O-N 3.32Å; A78-R80 PolarHBondContact O-N 3.33Å; A78-V81 PolarHBondContact O-N 3.22Å; A78-L82 WeakPolarHBondContact O-CB 3.39Å; A78-L82 PolarHBondContact O-N 3.2Å; A78-L174 HydrophobicContact CB-CB 3.78Å; A78-L174 HydrophobicContact CB-CD1 4.17Å; A78-L175 HydrophobicContact CB-CD2 4Å
79	L	82.9	Confident	83	Confident	32 Å²	32	49.1 Å²	49.1	17%	0.168	24%	0.243	C	C	.	.	H	α-helix	trans	-60.5	-41.9	177	176.5	67.6	0	0	0	112.5	P42 F75 I76 T77 V81 L82 I83	P42-L79 HydrophobicContact CB-CD1 4.03Å; P42-L79 HydrophobicContact CB-CD2 3.33Å; P42-L79 HydrophobicContact CB-CG 4.24Å; F75-L79 VanDerWaalsContact O-CB 3.24Å; F75-L79 WeakPolarHBondContact O-CB 3.41Å; F75-L79 PolarHBondContact O-N 3.28Å; I76-L79 PolarHBondContact O-N 2.86Å; T77-L79 VanDerWaalsContact C-N 3.33Å; T77-L79 PolarHBondContact O-N 3.37Å; L79-V81 PolarHBondContact O-N 2.61Å; L79-L82 PolarHBondContact O-N 3.27Å; L79-I83 HydrophobicContact CD1-CD1 3.84Å; L79-I83 HydrophobicContact CD1-CG1 4.14Å; L79-I83 HydrophobicContact CD2-CD1 4.45Å; L79-I83 HydrophobicContact CG-CD1 3.81Å; L79-I83 HydrophobicContact CG-CG1 4.45Å; L79-I83 WeakPolarHBondContact O-CB 3.43Å; L79-I83 VanDerWaalsContact O-CG1 3.28Å; L79-I83 WeakPolarHBondContact O-CG1 3.49Å; L79-I83 PolarHBondContact O-N 3.22Å
80	R	82	Confident	83.3	Confident	109 Å²	109	48.5 Å²	48.5	41%	0.411	25%	0.245	S	C	.	.	H	α-helix	trans	-61.3	-43.6	176.3	-77.4	172.2	176.8	177.2	-0.3	111.8	Y39 I76 T77 A78 A84	Y39-R80 HydrophobicContact CE1-CG 3.72Å; I76-R80 WeakPolarHBondContact O-CG 3.28Å; I76-R80 PolarHBondContact O-N 3.3Å; T77-R80 WeakPolarHBondContact O-CB 3.39Å; T77-R80 PolarHBondContact O-N 3.06Å; A78-R80 PolarHBondContact O-N 3.33Å; R80-A84 WeakPolarHBondContact O-CB 3.4Å; R80-A84 PolarHBondContact O-N 3.01Å
81	V	83.6	Confident	84	Confident	44 Å²	44	50.4 Å²	50.4	27%	0.267	25%	0.25	S	C	.	.	H	α-helix	trans	-65.5	-42.7	177.5	174.5	0	0	0	0	110.9	T77 A78 L79 A84 G85 L174 F854	T77-V81 PolarHBondContact O-N 3.05Å; T77-V81 VanDerWaalsContact O-N 3.1Å; A78-V81 PolarHBondContact O-N 3.22Å; L79-V81 PolarHBondContact O-N 2.61Å; V81-A84 PolarHBondContact O-N 2.92Å; V81-G85 PolarHBondContact O-N 2.84Å; V81-L174 HydrophobicContact CB-CD2 4.45Å; V81-L174 HydrophobicContact CG1-CD2 4.27Å; V81-L174 WeakPolarHBondContact CG2-O 3.27Å; V81-F854 HydrophobicContact CG1-CE1 4.13Å
82	L	85.6	Confident	84.6	Confident	61 Å²	61	51.4 Å²	51.4	32%	0.319	26%	0.256	S	S	.	.	H	α-helix	trans	-60.9	-49	176.2	-178.7	60.8	0	0	0	112	A78 L79 A84 G85 L86 L174 V853 F854	A78-L82 WeakPolarHBondContact O-CB 3.39Å; A78-L82 PolarHBondContact O-N 3.2Å; L79-L82 PolarHBondContact O-N 3.27Å; L82-A84 VanDerWaalsContact C-N 3.31Å; L82-A84 PolarHBondContact O-N 3.39Å; L82-G85 PolarHBondContact O-N 2.88Å; L82-L86 HydrophobicContact CD1-CD1 4.17Å; L82-L86 HydrophobicContact CD1-CG 4.29Å; L82-L86 HydrophobicContact CG-CD1 3.92Å; L82-L86 HydrophobicContact CG-CG 4.47Å; L82-L86 WeakPolarHBondContact O-CG 3.34Å; L82-L86 PolarHBondContact O-N 3.08Å; L82-L174 HydrophobicContact CB-CD2 3.78Å; L82-L174 HydrophobicContact CD1-CD2 4.4Å; L82-V853 HydrophobicContact CD1-CG1 4.28Å; L82-F854 HydrophobicContact CD1-CZ 4.33Å
83	I	84.8	Confident	84.8	Confident	20 Å²	20	49.9 Å²	49.9	10%	0.103	26%	0.257	C	S	.	.	H	α-helix	trans	-60.9	-42.4	178.6	-70.3	168.9	0	0	0	110.6	L38 Y39 L79 G85 L86 K87	L38-I83 HydrophobicContact CD2-CG2 4.1Å; Y39-I83 HydrophobicContact CD1-CD1 4.06Å; Y39-I83 HydrophobicContact CE1-CD1 3.6Å; L79-I83 HydrophobicContact CD1-CD1 3.84Å; L79-I83 HydrophobicContact CD1-CG1 4.14Å; L79-I83 HydrophobicContact CD2-CD1 4.45Å; L79-I83 HydrophobicContact CG-CD1 3.81Å; L79-I83 HydrophobicContact CG-CG1 4.45Å; L79-I83 WeakPolarHBondContact O-CB 3.43Å; L79-I83 VanDerWaalsContact O-CG1 3.28Å; L79-I83 WeakPolarHBondContact O-CG1 3.49Å; L79-I83 PolarHBondContact O-N 3.22Å; I83-G85 VanDerWaalsContact C-N 3.34Å; I83-L86 PolarHBondContact O-N 3.04Å; I83-K87 HydrophobicContact CG2-CD 4.45Å; I83-K87 WeakPolarHBondContact O-CG 3.49Å; I83-K87 PolarHBondContact O-N 3.39Å; I83-K87 VanDerWaalsContact O-N 3.1Å
84	A	83.5	Confident	85.3	Confident	50 Å²	50	47.1 Å²	47.1	41%	0.413	25%	0.247	S	C	.	.	H	α-helix	trans	-62.5	-41.5	176.5	0	0	0	0	0	111.9	R80 V81 L82 K87 N88	R80-A84 WeakPolarHBondContact O-CB 3.4Å; R80-A84 PolarHBondContact O-N 3.01Å; V81-A84 PolarHBondContact O-N 2.92Å; L82-A84 VanDerWaalsContact C-N 3.31Å; L82-A84 PolarHBondContact O-N 3.39Å; A84-K87 PolarHBondContact O-N 3.13Å; A84-N88 PolarHBondContact O-ND2 3.5Å
85	G	85.6	Confident	85.9	Confident	8 Å²	8	49 Å²	49	8%	0.082	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-49	174.9	0	0	0	0	0	112.4	V81 L82 I83 K87 N88 V89	V81-G85 PolarHBondContact O-N 2.84Å; L82-G85 PolarHBondContact O-N 2.88Å; I83-G85 VanDerWaalsContact C-N 3.34Å; G85-K87 PolarHBondContact O-N 3.03Å; G85-N88 PolarHBondContact O-N 2.79Å; G85-V89 PolarHBondContact O-N 3.45Å
86	L	88.2	Confident	86.2	Confident	52 Å²	52	48.8 Å²	48.8	27%	0.272	26%	0.256	S	S	.	.	H	α-helix	trans	-59.5	-32.9	179.4	-72.5	166.2	0	0	0	113.2	L82 I83 N88 V89 W91 L849 V853	L82-L86 HydrophobicContact CD1-CD1 4.17Å; L82-L86 HydrophobicContact CD1-CG 4.29Å; L82-L86 HydrophobicContact CG-CD1 3.92Å; L82-L86 HydrophobicContact CG-CG 4.47Å; L82-L86 WeakPolarHBondContact O-CG 3.34Å; L82-L86 PolarHBondContact O-N 3.08Å; I83-L86 PolarHBondContact O-N 3.04Å; L86-N88 VanDerWaalsContact C-N 3.26Å; L86-N88 PolarHBondContact O-N 3.42Å; L86-V89 PolarHBondContact O-N 2.85Å; L86-W91 HydrophobicContact CD2-CH2 4.07Å; L86-W91 HydrophobicContact CD2-CZ2 3.72Å; L86-W91 PolarHBondContact O-NE1 3.34Å; L86-W91 VanDerWaalsContact O-NE1 3.14Å; L86-L849 HydrophobicContact CD2-CD1 4.24Å; L86-V853 HydrophobicContact CD2-CG2 3.6Å; L86-V853 HydrophobicContact CG-CG2 4.19Å
87	K	85.4	Confident	86.4	Confident	133 Å²	133	50.6 Å²	50.6	58%	0.578	27%	0.265	S	S	*	.	H	α-helix	trans	-68	-24.1	175.7	-76.9	-175.9	177.5	-162.6	0	113.5	I83 A84 G85	I83-K87 HydrophobicContact CG2-CD 4.45Å; I83-K87 WeakPolarHBondContact O-CG 3.49Å; I83-K87 PolarHBondContact O-N 3.39Å; I83-K87 VanDerWaalsContact O-N 3.1Å; A84-K87 PolarHBondContact O-N 3.13Å; G85-K87 PolarHBondContact O-N 3.03Å
88	N	86	Confident	86.9	Confident	141 Å²	141	50.8 Å²	50.8	75%	0.754	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-4.9	-178.6	-65.5	-29.4	0	0	0	113.3	A84 G85 L86	A84-N88 PolarHBondContact O-ND2 3.5Å; G85-N88 PolarHBondContact O-N 2.79Å; L86-N88 VanDerWaalsContact C-N 3.26Å; L86-N88 PolarHBondContact O-N 3.42Å
89	V	90.3	Very high	87.5	Confident	12 Å²	12	52.3 Å²	52.3	7%	0.073	27%	0.273	C	S	.	.			trans	-71	132.4	-179.2	176.5	0	0	0	0	110.6	G85 L86 W91 V94 V853	G85-V89 PolarHBondContact O-N 3.45Å; L86-V89 PolarHBondContact O-N 2.85Å; V89-W91 VanDerWaalsContact C-N 3.3Å; V89-W91 HydrophobicContact CB-CD2 4.26Å; V89-W91 HydrophobicContact CB-CG 4.45Å; V89-W91 HydrophobicContact CB-CZ2 4.21Å; V89-W91 HydrophobicContact CG1-CD2 3.8Å; V89-W91 HydrophobicContact CG1-CE3 4.18Å; V89-W91 HydrophobicContact CG1-CG 4.12Å; V89-W91 HydrophobicContact CG1-CZ2 4.24Å; V89-W91 HydrophobicContact CG2-CZ2 4.44Å; V89-W91 VanDerWaalsContact O-CD1 3.26Å; V89-W91 PolarHBondContact O-N 2.87Å; V89-V94 HydrophobicContact CG1-CG2 3.8Å; V89-V853 HydrophobicContact CG2-CB 4.35Å; V89-V853 HydrophobicContact CG2-CG2 3.69Å
90	N	89	Confident	87.9	Confident	98 Å²	98	52.1 Å²	52.1	52%	0.524	27%	0.272	S	S	.	.			trans	-77.4	82.1	167.5	-175.1	-14.3	0	0	0	110.3	V92 T93 V94	N90-V92 PolarHBondContact O-N 3.23Å; N90-V92 PolarHBondContact OD1-N 3.32Å; N90-T93 VanDerWaalsContact CG-OG1 3.31Å; N90-T93 PolarHBondContact ND2-OG1 3.14Å; N90-T93 VanDerWaalsContact ND2-OG1 3.07Å; N90-T93 PolarHBondContact O-N 2.99Å; N90-T93 VanDerWaalsContact O-N 3.13Å; N90-T93 PolarHBondContact OD1-N 3.11Å; N90-T93 PolarHBondContact OD1-OG1 2.9Å; N90-V94 PolarHBondContact O-N 3.3Å; N90-V94 VanDerWaalsContact O-N 3.12Å
91	W	92.2	Very high	88.3	Confident	59 Å²	59	47.2 Å²	47.2	22%	0.223	25%	0.254	C	S	.	.	H	α-helix	trans	-61.6	-26.5	-177.5	-70.7	107	0	0	0	114.6	L86 V89 V94 L95 V755 T759 L849	L86-W91 HydrophobicContact CD2-CH2 4.07Å; L86-W91 HydrophobicContact CD2-CZ2 3.72Å; L86-W91 PolarHBondContact O-NE1 3.34Å; L86-W91 VanDerWaalsContact O-NE1 3.14Å; V89-W91 VanDerWaalsContact C-N 3.3Å; V89-W91 HydrophobicContact CB-CD2 4.26Å; V89-W91 HydrophobicContact CB-CG 4.45Å; V89-W91 HydrophobicContact CB-CZ2 4.21Å; V89-W91 HydrophobicContact CG1-CD2 3.8Å; V89-W91 HydrophobicContact CG1-CE3 4.18Å; V89-W91 HydrophobicContact CG1-CG 4.12Å; V89-W91 HydrophobicContact CG1-CZ2 4.24Å; V89-W91 HydrophobicContact CG2-CZ2 4.44Å; V89-W91 VanDerWaalsContact O-CD1 3.26Å; V89-W91 PolarHBondContact O-N 2.87Å; W91-V94 HydrophobicContact CE3-CB 4.46Å; W91-V94 HydrophobicContact CE3-CG1 4.41Å; W91-V94 HydrophobicContact CZ3-CG1 4.48Å; W91-V94 PolarHBondContact O-N 3.4Å; W91-L95 HydrophobicContact CE3-CD1 4.45Å; W91-L95 HydrophobicContact CE3-CG 4.39Å; W91-L95 WeakPolarHBondContact O-CB 3.2Å; W91-L95 WeakPolarHBondContact O-CG 3.35Å; W91-L95 PolarHBondContact O-N 2.87Å; W91-V755 HydrophobicContact CB-CG1 4.14Å; W91-T759 HydrophobicContact CB-CG2 3.65Å; W91-T759 HydrophobicContact CD2-CG2 3.66Å; W91-T759 HydrophobicContact CE3-CG2 4Å; W91-T759 HydrophobicContact CG-CG2 3.5Å; W91-L849 HydrophobicContact CH2-CD1 3.62Å; W91-L849 HydrophobicContact CZ3-CD1 4.15Å
92	V	89.7	Confident	88.7	Confident	25 Å²	25	45.5 Å²	45.5	15%	0.152	24%	0.243	C	C	.	.	H	α-helix	trans	-61.9	-48.2	174.3	179.1	0	0	0	0	109.8	N90 T96 I705 V752 V755	N90-V92 PolarHBondContact O-N 3.23Å; N90-V92 PolarHBondContact OD1-N 3.32Å; V92-T96 HydrophobicContact CG1-CG2 4.48Å; V92-T96 VanDerWaalsContact O-CB 3.29Å; V92-T96 WeakPolarHBondContact O-CB 3.46Å; V92-T96 WeakPolarHBondContact O-CG2 3.41Å; V92-T96 PolarHBondContact O-N 2.96Å; V92-T96 PolarHBondContact O-OG1 3.42Å; V92-I705 HydrophobicContact CG1-CD1 4.49Å; V92-V752 HydrophobicContact CG1-CG2 4.01Å; V92-V752 HydrophobicContact CG2-CG1 4.06Å; V92-V755 HydrophobicContact CG2-CG1 4.01Å
93	T	89	Confident	89.1	Confident	58 Å²	58	45.1 Å²	45.1	36%	0.356	24%	0.239	S	C	.	.	H	α-helix	trans	-65.5	-47.5	177.5	-55.4	0	0	0	0	110.7	N90 L95 H97 D98	N90-T93 VanDerWaalsContact CG-OG1 3.31Å; N90-T93 PolarHBondContact ND2-OG1 3.14Å; N90-T93 VanDerWaalsContact ND2-OG1 3.07Å; N90-T93 PolarHBondContact O-N 2.99Å; N90-T93 VanDerWaalsContact O-N 3.13Å; N90-T93 PolarHBondContact OD1-N 3.11Å; N90-T93 PolarHBondContact OD1-OG1 2.9Å; T93-L95 PolarHBondContact O-N 3Å; T93-H97 HydrophobicContact CG2-CB 4.13Å; T93-H97 WeakPolarHBondContact O-CA 3.45Å; T93-H97 WeakPolarHBondContact O-CB 3.36Å; T93-H97 PolarHBondContact O-N 2.86Å; T93-D98 PolarHBondContact O-N 2.91Å
94	V	91.4	Very high	89.4	Confident	11 Å²	11	44.1 Å²	44.1	7%	0.067	23%	0.234	C	C	.	.	I	π-helix	trans	-57.8	-48.6	-178.1	175.7	0	0	0	0	111.6	V89 N90 W91 D98 V99 S852	V89-V94 HydrophobicContact CG1-CG2 3.8Å; N90-V94 PolarHBondContact O-N 3.3Å; N90-V94 VanDerWaalsContact O-N 3.12Å; W91-V94 HydrophobicContact CE3-CB 4.46Å; W91-V94 HydrophobicContact CE3-CG1 4.41Å; W91-V94 HydrophobicContact CZ3-CG1 4.48Å; W91-V94 PolarHBondContact O-N 3.4Å; V94-D98 WeakPolarHBondContact O-CB 3.29Å; V94-D98 PolarHBondContact O-N 3.32Å; V94-V99 HydrophobicContact CG1-CG2 4.08Å; V94-V99 WeakPolarHBondContact O-CB 3.43Å; V94-V99 VanDerWaalsContact O-CG2 3.27Å; V94-V99 WeakPolarHBondContact O-CG2 3.38Å; V94-V99 PolarHBondContact O-N 3.49Å; V94-S852 WeakPolarHBondContact CG2-OG 3.28Å
95	L	91.2	Very high	89.7	Confident	53 Å²	53	42.5 Å²	42.5	28%	0.277	22%	0.219	S	C	.	.	I	π-helix	trans	-85.1	-22.1	-172.7	-64.3	177.5	0	0	0	114.5	W91 T93 V99 V755 T759	W91-L95 HydrophobicContact CE3-CD1 4.45Å; W91-L95 HydrophobicContact CE3-CG 4.39Å; W91-L95 WeakPolarHBondContact O-CB 3.2Å; W91-L95 WeakPolarHBondContact O-CG 3.35Å; W91-L95 PolarHBondContact O-N 2.87Å; T93-L95 PolarHBondContact O-N 3Å; L95-V99 HydrophobicContact CD2-CG2 4.26Å; L95-V755 HydrophobicContact CB-CG2 4.26Å; L95-V755 HydrophobicContact CD1-CG1 3.98Å; L95-V755 HydrophobicContact CD1-CG2 4.47Å; L95-T759 HydrophobicContact CD1-CG2 3.97Å
96	T	86.5	Confident	90.1	Very high	11 Å²	11	42.1 Å²	42.1	7%	0.067	22%	0.215	C	C	.	.	I	π-helix	trans	-104.8	-22.1	-178.6	70.6	0	0	0	0	113.8	V92 I705 R708 I751 V755	V92-T96 HydrophobicContact CG1-CG2 4.48Å; V92-T96 VanDerWaalsContact O-CB 3.29Å; V92-T96 WeakPolarHBondContact O-CB 3.46Å; V92-T96 WeakPolarHBondContact O-CG2 3.41Å; V92-T96 PolarHBondContact O-N 2.96Å; V92-T96 PolarHBondContact O-OG1 3.42Å; T96-I705 HydrophobicContact CG2-CG2 3.95Å; T96-R708 PolarHBondContact O-NH2 3.23Å; T96-I751 HydrophobicContact CG2-CG2 3.9Å; T96-V755 HydrophobicContact CG2-CG2 4.01Å
97	H	87.2	Confident	90.4	Very high	61 Å²	61	39.7 Å²	39.7	28%	0.282	20%	0.202	S	C	.	.	I	π-helix	trans	-105.8	-69.3	177.9	-170.8	-88.1	0	0	0	111	T93 I100 D101 R708	T93-H97 HydrophobicContact CG2-CB 4.13Å; T93-H97 WeakPolarHBondContact O-CA 3.45Å; T93-H97 WeakPolarHBondContact O-CB 3.36Å; T93-H97 PolarHBondContact O-N 2.86Å; H97-I100 PolarHBondContact O-N 3.5Å; H97-D101 IonicContact CE1-OD2 3.89Å; H97-D101 PolarHBondContact CE1-OD2 3.44Å; H97-D101 IonicContact NE2-OD2 2.92Å; H97-D101 PolarHBondContact O-N 3.04Å; H97-R708 VanDerWaalsContact CA-NH2 3.29Å; H97-R708 PolarHBondContact CD2-NH1 3.13Å; H97-R708 PolarHBondContact O-NH2 3.16Å; H97-R708 VanDerWaalsContact O-NH2 3.17Å
98	D	89.9	Confident	90.6	Very high	22 Å²	22	35.3 Å²	35.3	12%	0.118	18%	0.182	C	C	.	.	I	π-helix	trans	-71.4	-50.5	-162.3	-70.1	-25.6	0	0	0	114.4	T93 V94 I100 D101 D102 R848	T93-D98 PolarHBondContact O-N 2.91Å; V94-D98 WeakPolarHBondContact O-CB 3.29Å; V94-D98 PolarHBondContact O-N 3.32Å; D98-I100 PolarHBondContact O-N 3.26Å; D98-D101 PolarHBondContact O-N 2.88Å; D98-D102 PolarHBondContact O-N 3.03Å; D98-R848 HydrophobicContact CB-CG 4.25Å; D98-R848 VanDerWaalsContact CB-CZ 3.41Å; D98-R848 PolarHBondContact O-NH2 2.79Å; D98-R848 IonicContact OD1-CZ 2.66Å; D98-R848 IonicContact OD1-NH1 3.88Å; D98-R848 PolarHBondContact OD1-NH1 3.17Å; D98-R848 IonicContact OD2-NH1 2.93Å
99	V	93.2	Very high	90.9	Very high	39 Å²	39	28.7 Å²	28.7	24%	0.236	15%	0.147	C	C	.	.	H	α-helix	trans	-63.2	-35.2	178.2	170.3	0	0	0	0	111	V94 L95 D102 F103 L845	V94-V99 HydrophobicContact CG1-CG2 4.08Å; V94-V99 WeakPolarHBondContact O-CB 3.43Å; V94-V99 VanDerWaalsContact O-CG2 3.27Å; V94-V99 WeakPolarHBondContact O-CG2 3.38Å; V94-V99 PolarHBondContact O-N 3.49Å; L95-V99 HydrophobicContact CD2-CG2 4.26Å; V99-D102 PolarHBondContact O-N 2.98Å; V99-F103 VanDerWaalsContact O-CB 3.32Å; V99-F103 WeakPolarHBondContact O-CB 3.44Å; V99-F103 PolarHBondContact O-N 3.16Å; V99-L845 HydrophobicContact CB-CD2 4.27Å; V99-L845 HydrophobicContact CG1-CD2 3.96Å; V99-L845 HydrophobicContact CG2-CD2 3.95Å
100	I	91.4	Very high	91	Very high	28 Å²	28	28.1 Å²	28.1	14%	0.144	14%	0.143	C	C	.	.	H	α-helix	trans	-68.6	-40.3	179	-57.9	-60	0	0	0	110.6	H97 D98 F103 A104 I709 L712 L713	H97-I100 PolarHBondContact O-N 3.5Å; D98-I100 PolarHBondContact O-N 3.26Å; I100-F103 PolarHBondContact O-N 3.15Å; I100-A104 VanDerWaalsContact O-CB 3.27Å; I100-A104 WeakPolarHBondContact O-CB 3Å; I100-A104 PolarHBondContact O-N 3.25Å; I100-I709 HydrophobicContact CD1-CG2 4.49Å; I100-I709 HydrophobicContact CG1-CD1 4.46Å; I100-I709 HydrophobicContact CG1-CG1 4.26Å; I100-I709 HydrophobicContact CG2-CG1 4.24Å; I100-I709 HydrophobicContact CG2-CG2 4.21Å; I100-L712 HydrophobicContact CG2-CD2 3.93Å; I100-L713 HydrophobicContact CG2-CD2 4.49Å; I100-L713 HydrophobicContact CG2-CG 4.44Å
101	D	90.2	Very high	91.1	Very high	5 Å²	5	24.9 Å²	24.9	3%	0.027	12%	0.124	C	C	.	.	H	α-helix	trans	-66.7	-41.5	174.8	-75	13.4	0	0	0	112.3	H97 D98 F103 A104 T105 R708 L712	H97-D101 IonicContact CE1-OD2 3.89Å; H97-D101 PolarHBondContact CE1-OD2 3.44Å; H97-D101 IonicContact NE2-OD2 2.92Å; H97-D101 PolarHBondContact O-N 3.04Å; D98-D101 PolarHBondContact O-N 2.88Å; D101-F103 VanDerWaalsContact C-N 3.34Å; D101-A104 PolarHBondContact O-N 2.91Å; D101-T105 WeakPolarHBondContact O-CB 3.22Å; D101-T105 PolarHBondContact O-N 3Å; D101-T105 PolarHBondContact O-OG1 3.1Å; D101-R708 IonicContact OD1-CZ 3.84Å; D101-R708 IonicContact OD1-NH1 3.99Å; D101-R708 PolarHBondContact OD1-NH1 3.36Å; D101-R708 IonicContact OD1-NH2 2.84Å; D101-R708 PolarHBondContact OD1-NH2 3.05Å; D101-R708 IonicContact OD2-NH1 2.76Å; D101-L712 VanDerWaalsContact OD1-CD2 3.3Å; D101-L712 WeakPolarHBondContact OD1-CD2 3.31Å
102	D	91.9	Very high	90.9	Very high	8 Å²	8	25.1 Å²	25.1	4%	0.043	13%	0.126	C	C	.	.	H	α-helix	trans	-63.7	-41.5	176.9	-71.8	-26.6	0	0	0	111.1	D98 V99 H106 V844 L845 R848	D98-D102 PolarHBondContact O-N 3.03Å; V99-D102 PolarHBondContact O-N 2.98Å; D102-H106 WeakPolarHBondContact O-CB 3.32Å; D102-H106 PolarHBondContact O-N 3.45Å; D102-V844 HydrophobicContact CB-CG1 3.96Å; D102-L845 HydrophobicContact CB-CD2 4.2Å; D102-R848 IonicContact OD1-CZ 3Å; D102-R848 IonicContact OD1-NE 2.61Å; D102-R848 IonicContact OD1-NH2 2.75Å; D102-R848 PolarHBondContact OD1-NH2 3.12Å; D102-R848 IonicContact OD2-CZ 3.3Å; D102-R848 VanDerWaalsContact OD2-CZ 3.29Å; D102-R848 IonicContact OD2-NE 2.88Å; D102-R848 PolarHBondContact OD2-NE 3.34Å; D102-R848 IonicContact OD2-NH2 2.87Å; D102-R848 PolarHBondContact OD2-NH2 2.81Å
103	F	94.3	Very high	91	Very high	53 Å²	53	23.9 Å²	23.9	23%	0.232	12%	0.119	C	C	.	.	H	α-helix	trans	-68.3	-44.3	176.6	-172.5	-111.3	0	0	0	112.3	V99 I100 D101 T105 H106 L107 L713 V828 L841	V99-F103 VanDerWaalsContact O-CB 3.32Å; V99-F103 WeakPolarHBondContact O-CB 3.44Å; V99-F103 PolarHBondContact O-N 3.16Å; I100-F103 PolarHBondContact O-N 3.15Å; D101-F103 VanDerWaalsContact C-N 3.34Å; F103-T105 VanDerWaalsContact C-N 3.32Å; F103-T105 PolarHBondContact O-N 3Å; F103-H106 WeakPolarHBondContact O-CB 3.46Å; F103-H106 PolarHBondContact O-N 3.34Å; F103-H106 VanDerWaalsContact O-N 3.16Å; F103-L107 HydrophobicContact CD1-CD1 4.05Å; F103-L107 HydrophobicContact CD1-CG 4.45Å; F103-L107 HydrophobicContact CE1-CD1 3.58Å; F103-L107 HydrophobicContact CE1-CG 4.13Å; F103-L107 HydrophobicContact CZ-CD1 4.04Å; F103-L107 HydrophobicContact CZ-CD2 4.18Å; F103-L107 HydrophobicContact CZ-CG 4.2Å; F103-L107 WeakPolarHBondContact O-CG 3.45Å; F103-L107 PolarHBondContact O-N 3.47Å; F103-L713 HydrophobicContact CD1-CD2 3.92Å; F103-L713 HydrophobicContact CE1-CD2 4.4Å; F103-V828 HydrophobicContact CZ-CG1 4.19Å; F103-L841 HydrophobicContact CD2-CD2 3.93Å; F103-L841 HydrophobicContact CE2-CD2 4.28Å
104	A	91.4	Very high	91	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.1	-43	175.3	0	0	0	0	0	111.9	I100 D101 H106 L107 R108 L712 E716	I100-A104 VanDerWaalsContact O-CB 3.27Å; I100-A104 WeakPolarHBondContact O-CB 3Å; I100-A104 PolarHBondContact O-N 3.25Å; D101-A104 PolarHBondContact O-N 2.91Å; A104-H106 VanDerWaalsContact C-N 3.31Å; A104-H106 PolarHBondContact O-N 2.85Å; A104-L107 PolarHBondContact O-N 2.9Å; A104-R108 WeakPolarHBondContact O-CB 3.32Å; A104-R108 PolarHBondContact O-N 2.83Å; A104-L712 HydrophobicContact CB-CD1 4.16Å; A104-L712 HydrophobicContact CB-CD2 3.47Å; A104-L712 VanDerWaalsContact CB-CD2 3.47Å; A104-L712 HydrophobicContact CB-CG 3.56Å; A104-E716 HydrophobicContact CB-CG 4.17Å
105	T	90.4	Very high	90.8	Very high	15 Å²	15	25.3 Å²	25.3	9%	0.092	12%	0.12	C	C	.	.	H	α-helix	trans	-62	-40.8	175.2	-56	0	0	0	0	111.2	D101 F103 R108 L109	D101-T105 WeakPolarHBondContact O-CB 3.22Å; D101-T105 PolarHBondContact O-N 3Å; D101-T105 PolarHBondContact O-OG1 3.1Å; F103-T105 VanDerWaalsContact C-N 3.32Å; F103-T105 PolarHBondContact O-N 3Å; T105-R108 WeakPolarHBondContact O-CB 3.49Å; T105-R108 PolarHBondContact O-N 3.44Å; T105-L109 HydrophobicContact CG2-CD1 4.38Å; T105-L109 WeakPolarHBondContact O-CG 3.49Å; T105-L109 PolarHBondContact O-N 3.18Å
106	H	94	Very high	90.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.7	-45.5	176	-170.7	70.8	0	0	0	112.5	D102 F103 A104 R108 L109 F110 F136 L837 L841	D102-H106 WeakPolarHBondContact O-CB 3.32Å; D102-H106 PolarHBondContact O-N 3.45Å; F103-H106 WeakPolarHBondContact O-CB 3.46Å; F103-H106 PolarHBondContact O-N 3.34Å; F103-H106 VanDerWaalsContact O-N 3.16Å; A104-H106 VanDerWaalsContact C-N 3.31Å; A104-H106 PolarHBondContact O-N 2.85Å; H106-R108 VanDerWaalsContact C-N 3.34Å; H106-R108 PolarHBondContact O-N 3.2Å; H106-L109 PolarHBondContact O-N 3.5Å; H106-F110 PolarHBondContact O-N 2.92Å; H106-F110 VanDerWaalsContact O-N 3.07Å; H106-F136 AromaticContact CE1-CE2 3.95Å; H106-F136 AromaticContact CE1-CZ 3.58Å; H106-F136 AromaticContact ND1-CZ 3.5Å; H106-F136 WeakPolarHBondContact ND1-CZ 3.24Å; H106-L837 PolarHBondContact CE1-O 2.87Å; H106-L841 HydrophobicContact CB-CD1 4.13Å
107	L	93.4	Very high	90.5	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-64.4	-37.7	175.8	-66.6	-178.6	0	0	0	112.3	F103 A104 F110 R111 I717 V828 A831	F103-L107 HydrophobicContact CD1-CD1 4.05Å; F103-L107 HydrophobicContact CD1-CG 4.45Å; F103-L107 HydrophobicContact CE1-CD1 3.58Å; F103-L107 HydrophobicContact CE1-CG 4.13Å; F103-L107 HydrophobicContact CZ-CD1 4.04Å; F103-L107 HydrophobicContact CZ-CD2 4.18Å; F103-L107 HydrophobicContact CZ-CG 4.2Å; F103-L107 WeakPolarHBondContact O-CG 3.45Å; F103-L107 PolarHBondContact O-N 3.47Å; A104-L107 PolarHBondContact O-N 2.9Å; L107-F110 PolarHBondContact O-N 2.96Å; L107-R111 WeakPolarHBondContact O-CB 3.48Å; L107-R111 PolarHBondContact O-N 3.37Å; L107-I717 HydrophobicContact CD1-CG1 3.92Å; L107-V828 HydrophobicContact CD1-CG2 3.98Å; L107-V828 HydrophobicContact CD2-CB 4.41Å; L107-V828 HydrophobicContact CD2-CG1 4.33Å; L107-V828 HydrophobicContact CD2-CG2 4.09Å; L107-A831 HydrophobicContact CD2-CB 4.31Å
108	R	90.2	Very high	90.3	Very high	42 Å²	42	29.2 Å²	29.2	16%	0.158	13%	0.134	C	C	.	.	H	α-helix	trans	-61.8	-46.3	175.7	-172.1	176.1	-179.6	-176.4	3.4	112	A104 T105 H106 F110 R111 K112 V693 E716	A104-R108 WeakPolarHBondContact O-CB 3.32Å; A104-R108 PolarHBondContact O-N 2.83Å; T105-R108 WeakPolarHBondContact O-CB 3.49Å; T105-R108 PolarHBondContact O-N 3.44Å; H106-R108 VanDerWaalsContact C-N 3.34Å; H106-R108 PolarHBondContact O-N 3.2Å; R108-F110 VanDerWaalsContact C-N 3.31Å; R108-F110 PolarHBondContact O-N 3.25Å; R108-R111 PolarHBondContact O-N 2.96Å; R108-K112 PolarHBondContact O-N 3.4Å; R108-V693 HydrophobicContact CB-CG2 4.47Å; R108-E716 VanDerWaalsContact CB-OE2 3.28Å; R108-E716 WeakPolarHBondContact CB-OE2 3.38Å
109	L	91.4	Very high	90	Very high	1 Å²	1	35 Å²	35	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-57.8	-47	176	-74.5	168	0	0	0	110.8	T105 H106 A113 F136 M139 E140 L143	T105-L109 HydrophobicContact CG2-CD1 4.38Å; T105-L109 WeakPolarHBondContact O-CG 3.49Å; T105-L109 PolarHBondContact O-N 3.18Å; H106-L109 PolarHBondContact O-N 3.5Å; L109-A113 WeakPolarHBondContact O-CB 3.33Å; L109-A113 PolarHBondContact O-N 3.47Å; L109-F136 HydrophobicContact CB-CD2 3.91Å; L109-F136 HydrophobicContact CB-CE1 4.38Å; L109-F136 HydrophobicContact CB-CE2 3.36Å; L109-F136 HydrophobicContact CB-CZ 3.61Å; L109-F136 HydrophobicContact CD1-CE1 4.22Å; L109-F136 HydrophobicContact CD1-CE2 4.43Å; L109-F136 HydrophobicContact CD1-CZ 3.8Å; L109-F136 HydrophobicContact CG-CZ 4.33Å; L109-M139 VanDerWaalsContact CD2-C 3.48Å; L109-M139 HydrophobicContact CD2-CB 3.89Å; L109-E140 HydrophobicContact CD1-CB 4.24Å; L109-E140 HydrophobicContact CD1-CG 4.34Å; L109-E140 VanDerWaalsContact CD2-CA 3.48Å; L109-E140 HydrophobicContact CD2-CB 4.01Å; L109-E140 VanDerWaalsContact CD2-N 3.35Å; L109-L143 HydrophobicContact CD2-CD1 3.64Å; L109-L143 HydrophobicContact CG-CD1 4.41Å
110	F	93.7	Very high	89.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.1	-47.1	178	-174.1	-101.2	0	0	0	112.6	H106 L107 R108 K112 A113 K114 L132 F136 M827 E830 A831 H834 L837	H106-F110 PolarHBondContact O-N 2.92Å; H106-F110 VanDerWaalsContact O-N 3.07Å; L107-F110 PolarHBondContact O-N 2.96Å; R108-F110 VanDerWaalsContact C-N 3.31Å; R108-F110 PolarHBondContact O-N 3.25Å; F110-K112 PolarHBondContact O-N 3.31Å; F110-A113 PolarHBondContact O-N 3.06Å; F110-K114 HydrophobicContact CE1-CD 4.19Å; F110-K114 WeakPolarHBondContact O-CB 3.18Å; F110-K114 PolarHBondContact O-N 3.25Å; F110-L132 HydrophobicContact CE2-CD2 3.82Å; F110-L132 HydrophobicContact CE2-CG 4.31Å; F110-L132 HydrophobicContact CZ-CD2 4.09Å; F110-F136 HydrophobicContact CB-CD2 4.19Å; F110-F136 HydrophobicContact CB-CE2 4.13Å; F110-F136 HydrophobicContact CD2-CD2 4.44Å; F110-M827 HydrophobicContact CD1-CG 3.92Å; F110-M827 HydrophobicContact CE1-CG 4.03Å; F110-E830 HydrophobicContact CE1-CB 4.27Å; F110-E830 HydrophobicContact CE1-CG 4.32Å; F110-E830 HydrophobicContact CZ-CB 4.2Å; F110-E830 HydrophobicContact CZ-CG 3.85Å; F110-A831 HydrophobicContact CB-CB 4.12Å; F110-A831 HydrophobicContact CD1-CB 3.61Å; F110-A831 HydrophobicContact CD2-CB 3.97Å; F110-A831 HydrophobicContact CE1-CB 3.96Å; F110-A831 HydrophobicContact CE2-CB 4.29Å; F110-A831 HydrophobicContact CG-CB 3.6Å; F110-A831 HydrophobicContact CZ-CB 4.29Å; F110-H834 AromaticContact CE2-CD2 3.87Å; F110-L837 HydrophobicContact CD2-CD1 3.55Å; F110-L837 HydrophobicContact CE2-CD1 3.92Å
111	R	90.4	Very high	88.2	Confident	31 Å²	31	36.3 Å²	36.3	12%	0.117	17%	0.169	C	C	.	.	H	α-helix	trans	-58	-48.4	178.7	-169.4	-172.5	-43.5	104.6	44.7	111.7	L107 R108 A113 K114 Q115 E716 M827	L107-R111 WeakPolarHBondContact O-CB 3.48Å; L107-R111 PolarHBondContact O-N 3.37Å; R108-R111 PolarHBondContact O-N 2.96Å; R111-A113 VanDerWaalsContact C-N 3.34Å; R111-A113 PolarHBondContact O-N 3.28Å; R111-K114 PolarHBondContact O-N 3.4Å; R111-Q115 VanDerWaalsContact O-CG 3.32Å; R111-Q115 WeakPolarHBondContact O-CG 3.43Å; R111-Q115 PolarHBondContact O-N 3.03Å; R111-E716 IonicContact CZ-OE2 3.34Å; R111-E716 PolarHBondContact NE-O 2.96Å; R111-E716 IonicContact NH1-OE2 2.66Å; R111-E716 PolarHBondContact NH1-OE2 3Å; R111-E716 VanDerWaalsContact NH2-C 3.25Å; R111-E716 VanDerWaalsContact NH2-CA 3.27Å; R111-E716 PolarHBondContact NH2-O 2.88Å; R111-E716 IonicContact NH2-OE2 3.77Å; R111-E716 PolarHBondContact NH2-OE2 3.33Å; R111-M827 HydrophobicContact CB-SD 3.84Å; R111-M827 HydrophobicContact CG-SD 3.83Å
112	K	88.8	Confident	87.2	Confident	63 Å²	63	40.6 Å²	40.6	27%	0.274	20%	0.199	S	C	.	.	H	α-helix	trans	-62.1	-42.3	178.4	-76.2	-173.5	166.1	-165.8	0	112.1	R108 F110 K114 Q115 K116 M139	R108-K112 PolarHBondContact O-N 3.4Å; F110-K112 PolarHBondContact O-N 3.31Å; K112-K114 VanDerWaalsContact C-N 3.35Å; K112-Q115 PolarHBondContact O-N 3.34Å; K112-K116 WeakPolarHBondContact O-CB 3.36Å; K112-K116 PolarHBondContact O-N 2.75Å; K112-M139 HydrophobicContact CB-CG 4.11Å; K112-M139 HydrophobicContact CB-SD 4.2Å
113	A	91	Very high	86.3	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.3	-43.3	176	0	0	0	0	0	111.6	L109 F110 R111 K116 Y117 L132 F136	L109-A113 WeakPolarHBondContact O-CB 3.33Å; L109-A113 PolarHBondContact O-N 3.47Å; F110-A113 PolarHBondContact O-N 3.06Å; R111-A113 VanDerWaalsContact C-N 3.34Å; R111-A113 PolarHBondContact O-N 3.28Å; A113-K116 PolarHBondContact O-N 3.19Å; A113-Y117 WeakPolarHBondContact O-CB 3.15Å; A113-Y117 PolarHBondContact O-N 2.82Å; A113-L132 HydrophobicContact CB-CD1 4.02Å; A113-F136 HydrophobicContact CB-CB 4.05Å
114	K	89.3	Confident	84.8	Confident	47 Å²	47	46.1 Å²	46.1	20%	0.204	25%	0.252	C	S	.	.	H	α-helix	trans	-65	-45	177.6	-167.2	177	-173.9	-170.9	0	112.3	F110 R111 K112 K116 Y117 E118 L132 E830	F110-K114 HydrophobicContact CE1-CD 4.19Å; F110-K114 WeakPolarHBondContact O-CB 3.18Å; F110-K114 PolarHBondContact O-N 3.25Å; R111-K114 PolarHBondContact O-N 3.4Å; K112-K114 VanDerWaalsContact C-N 3.35Å; K114-K116 VanDerWaalsContact C-N 3.31Å; K114-K116 PolarHBondContact O-N 3.35Å; K114-Y117 WeakPolarHBondContact O-CB 3.01Å; K114-Y117 PolarHBondContact O-N 3.27Å; K114-Y117 VanDerWaalsContact O-N 3.14Å; K114-E118 WeakPolarHBondContact CE-OE1 3.22Å; K114-E118 HydrophobicContact CG-CG 4.36Å; K114-E118 IonicContact NZ-OE1 3.61Å; K114-E118 WeakPolarHBondContact O-CB 3.49Å; K114-E118 WeakPolarHBondContact O-CG 3.18Å; K114-E118 PolarHBondContact O-N 3.01Å; K114-L132 HydrophobicContact CB-CD1 4.21Å; K114-E830 WeakPolarHBondContact CE-OE1 3.49Å; K114-E830 WeakPolarHBondContact CE-OE2 3.43Å; K114-E830 IonicContact NZ-OE1 3.69Å; K114-E830 PolarHBondContact NZ-OE1 3.49Å; K114-E830 IonicContact NZ-OE2 2.9Å; K114-E830 PolarHBondContact NZ-OE2 3.18Å
115	Q	87	Confident	83.3	Confident	52 Å²	52	49 Å²	49	24%	0.243	27%	0.272	C	S	.	.	H	α-helix	trans	-59.2	-40.9	174.2	-73.2	174.9	-27.4	0	0	112.1	R111 K112 K119 E722	R111-Q115 VanDerWaalsContact O-CG 3.32Å; R111-Q115 WeakPolarHBondContact O-CG 3.43Å; R111-Q115 PolarHBondContact O-N 3.03Å; K112-Q115 PolarHBondContact O-N 3.34Å; Q115-K119 WeakPolarHBondContact O-CB 3.48Å; Q115-K119 WeakPolarHBondContact O-CD 3.49Å; Q115-K119 WeakPolarHBondContact O-CG 3.47Å; Q115-K119 PolarHBondContact O-N 2.89Å; Q115-K119 VanDerWaalsContact O-N 3.15Å; Q115-E722 PolarHBondContact NE2-OE2 3.04Å
116	K	86.2	Confident	81.7	Confident	64 Å²	64	55.3 Å²	55.3	28%	0.278	30%	0.301	S	S	.	.	H	α-helix	trans	-65.2	-43.1	175	-175.1	178.2	179	-178	0	111	K112 A113 K114 I120 Y135 E138 M139	K112-K116 WeakPolarHBondContact O-CB 3.36Å; K112-K116 PolarHBondContact O-N 2.75Å; A113-K116 PolarHBondContact O-N 3.19Å; K114-K116 VanDerWaalsContact C-N 3.31Å; K114-K116 PolarHBondContact O-N 3.35Å; K116-I120 HydrophobicContact CG-CD1 4.19Å; K116-I120 WeakPolarHBondContact O-CG1 3.49Å; K116-I120 PolarHBondContact O-N 3.06Å; K116-Y135 HydrophobicContact CD-CD1 4Å; K116-Y135 HydrophobicContact CD-CD2 4.41Å; K116-Y135 HydrophobicContact CD-CE1 4.46Å; K116-Y135 HydrophobicContact CD-CG 3.99Å; K116-Y135 HydrophobicContact CG-CD2 4.3Å; K116-Y135 HydrophobicContact CG-CG 4.37Å; K116-E138 IonicContact NZ-OE2 2.65Å; K116-E138 PolarHBondContact NZ-OE2 3.39Å; K116-M139 HydrophobicContact CD-CE 4.32Å
117	Y	85.8	Confident	80.1	Confident	44 Å²	44	59.3 Å²	59.3	17%	0.173	33%	0.327	C	S	.	.	H	α-helix	trans	-61.5	-50.1	177.7	179.5	-102	0	0	0	112.4	A113 K114 K119 I120 A121 P127 R128 L131 L132 Y135	A113-Y117 WeakPolarHBondContact O-CB 3.15Å; A113-Y117 PolarHBondContact O-N 2.82Å; K114-Y117 WeakPolarHBondContact O-CB 3.01Å; K114-Y117 PolarHBondContact O-N 3.27Å; K114-Y117 VanDerWaalsContact O-N 3.14Å; Y117-K119 VanDerWaalsContact C-N 3.35Å; Y117-K119 PolarHBondContact O-N 3.23Å; Y117-I120 PolarHBondContact O-N 3.48Å; Y117-I120 VanDerWaalsContact O-N 3.1Å; Y117-A121 PolarHBondContact O-N 3.25Å; Y117-P127 HydrophobicContact CE1-CB 4.48Å; Y117-P127 WeakPolarHBondContact OH-CA 3.15Å; Y117-P127 WeakPolarHBondContact OH-CB 3.17Å; Y117-R128 WeakPolarHBondContact CE2-O 3.3Å; Y117-L131 HydrophobicContact CD2-CB 4.13Å; Y117-L131 HydrophobicContact CE2-CB 4.06Å; Y117-L132 HydrophobicContact CD2-CB 4.27Å; Y117-L132 HydrophobicContact CG-CB 4.47Å; Y117-L132 HydrophobicContact CG-CD1 4.41Å; Y117-Y135 HydrophobicContact CD2-CD2 4.38Å; Y117-Y135 HydrophobicContact CD2-CE2 4.24Å
118	E	83.5	Confident	78.8	Confident	98 Å²	98	66.2 Å²	66.2	46%	0.458	35%	0.353	S	S	.	.	H	α-helix	trans	-62.9	-38.6	179.4	-70.9	170.6	165.5	0	0	112.3	K114 I120 A121 S122	K114-E118 WeakPolarHBondContact CE-OE1 3.22Å; K114-E118 HydrophobicContact CG-CG 4.36Å; K114-E118 IonicContact NZ-OE1 3.61Å; K114-E118 WeakPolarHBondContact O-CB 3.49Å; K114-E118 WeakPolarHBondContact O-CG 3.18Å; K114-E118 PolarHBondContact O-N 3.01Å; E118-I120 PolarHBondContact O-N 3.46Å; E118-A121 PolarHBondContact O-N 3.39Å; E118-S122 PolarHBondContact O-N 3.11Å; E118-S122 VanDerWaalsContact O-N 3.08Å; E118-S122 PolarHBondContact O-OG 3.36Å
119	K	82.1	Confident	77.6	Confident	145 Å²	145	68 Å²	68	63%	0.63	37%	0.37	S	S	*	.	H	α-helix	trans	-63.4	-25.5	174.5	-77.9	172.6	179.7	174.5	0	113.7	Q115 Y117 S122	Q115-K119 WeakPolarHBondContact O-CB 3.48Å; Q115-K119 WeakPolarHBondContact O-CD 3.49Å; Q115-K119 WeakPolarHBondContact O-CG 3.47Å; Q115-K119 PolarHBondContact O-N 2.89Å; Q115-K119 VanDerWaalsContact O-N 3.15Å; Y117-K119 VanDerWaalsContact C-N 3.35Å; Y117-K119 PolarHBondContact O-N 3.23Å; K119-S122 PolarHBondContact O-OG 2.74Å
120	I	75.5	Confident	76.7	Confident	53 Å²	53	72.9 Å²	72.9	27%	0.272	39%	0.392	S	S	.	.	H	α-helix	trans	-93.4	-34.6	179	-65.6	169	0	0	0	110.6	K116 Y117 E118 S122 T123 Y135	K116-I120 HydrophobicContact CG-CD1 4.19Å; K116-I120 WeakPolarHBondContact O-CG1 3.49Å; K116-I120 PolarHBondContact O-N 3.06Å; Y117-I120 PolarHBondContact O-N 3.48Å; Y117-I120 VanDerWaalsContact O-N 3.1Å; E118-I120 PolarHBondContact O-N 3.46Å; I120-S122 PolarHBondContact O-N 3.23Å; I120-T123 PolarHBondContact O-N 2.65Å; I120-T123 VanDerWaalsContact O-N 3.09Å; I120-T123 PolarHBondContact O-OG1 2.95Å; I120-Y135 HydrophobicContact CD1-CE2 3.91Å; I120-Y135 VanDerWaalsContact CD1-OH 3.22Å; I120-Y135 WeakPolarHBondContact CD1-OH 3.46Å
121	A	71.9	Confident	76.1	Confident	41 Å²	41	75 Å²	75	34%	0.339	40%	0.404	S	S	.	.	H	α-helix	trans	-59.1	-36.1	170.8	0	0	0	0	0	111.2	Y117 E118 T123 G124	Y117-A121 PolarHBondContact O-N 3.25Å; E118-A121 PolarHBondContact O-N 3.39Å; A121-T123 VanDerWaalsContact C-N 3.28Å; A121-T123 PolarHBondContact O-N 2.85Å; A121-G124 PolarHBondContact O-N 3.4Å
122	S	69.1	Low	76	Confident	95 Å²	95	73.9 Å²	73.9	66%	0.664	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-17.2	176.2	68	0	0	0	0	114.7	E118 K119 I120 G124	E118-S122 PolarHBondContact O-N 3.11Å; E118-S122 VanDerWaalsContact O-N 3.08Å; E118-S122 PolarHBondContact O-OG 3.36Å; K119-S122 PolarHBondContact O-OG 2.74Å; I120-S122 PolarHBondContact O-N 3.23Å; S122-G124 PolarHBondContact O-N 3.04Å
123	T	72.7	Confident	76	Confident	104 Å²	104	72.9 Å²	72.9	64%	0.638	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	6.7	173.8	61	0	0	0	0	113.3	I120 A121	I120-T123 PolarHBondContact O-N 2.65Å; I120-T123 VanDerWaalsContact O-N 3.09Å; I120-T123 PolarHBondContact O-OG1 2.95Å; A121-T123 VanDerWaalsContact C-N 3.28Å; A121-T123 PolarHBondContact O-N 2.85Å
124	G	62.5	Low	75.8	Confident	72 Å²	72	76.3 Å²	76.3	74%	0.742	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	12.2	176.3	0	0	0	0	0	114.4	A121 S122	A121-G124 PolarHBondContact O-N 3.4Å; S122-G124 PolarHBondContact O-N 3.04Å
125	S	59.6	Low	75.7	Confident	60 Å²	60	75.3 Å²	75.3	42%	0.42	41%	0.407	S	S	.	.			trans	-78	141.6	172.9	-57.9	0	0	0	0	110.4	P127	S125-P127 WeakPolarHBondContact O-CD 3.44Å
126	E	58	Low	75.9	Confident	148 Å²	148	72.9 Å²	72.9	69%	0.692	40%	0.396	S	S	*	.			trans	-59.2	120.7	176.6	-83.8	-176.8	167	0	0	111.2	R128	E126-R128 PolarHBondContact O-N 2.93Å; E126-R128 IonicContact OE2-NH2 3.24Å
127	P	59.6	Low	76	Confident	84 Å²	84	69.9 Å²	69.9	55%	0.545	38%	0.383	S	S	.	.			trans	-67.9	114	174.5	23.9	-28.7	0	0	0	109.7	Y117 S125	Y117-P127 HydrophobicContact CE1-CB 4.48Å; Y117-P127 WeakPolarHBondContact OH-CA 3.15Å; Y117-P127 WeakPolarHBondContact OH-CB 3.17Å; S125-P127 WeakPolarHBondContact O-CD 3.44Å
128	R	66.5	Low	75.8	Confident	147 Å²	147	71 Å²	71	56%	0.555	39%	0.39	S	S	*	.			trans	-109	126.9	170.8	-59.6	-174.4	-174.2	171.8	2.5	109.3	Y117 E126 E130 L131	Y117-R128 WeakPolarHBondContact CE2-O 3.3Å; E126-R128 PolarHBondContact O-N 2.93Å; E126-R128 IonicContact OE2-NH2 3.24Å; R128-E130 WeakPolarHBondContact CB-OE2 3.16Å; R128-E130 PolarHBondContact O-N 3.4Å; R128-E130 VanDerWaalsContact O-N 3.13Å; R128-L131 HydrophobicContact CB-CD1 3.79Å; R128-L131 HydrophobicContact CB-CG 4.19Å; R128-L131 HydrophobicContact CG-CD1 4.28Å; R128-L131 VanDerWaalsContact O-CB 3.29Å; R128-L131 WeakPolarHBondContact O-CB 3.48Å; R128-L131 PolarHBondContact O-N 2.92Å
129	P	65.4	Low	75.8	Confident	79 Å²	79	67.1 Å²	67.1	51%	0.513	37%	0.372	S	S	.	.	H	α-helix	trans	-58.1	-29.3	-179	21.4	-30.6	0	0	0	112.7	L131 L132	P129-L131 PolarHBondContact O-N 3.48Å; P129-L132 PolarHBondContact O-N 3.27Å
130	E	72.2	Confident	75.9	Confident	103 Å²	103	60.2 Å²	60.2	48%	0.481	34%	0.342	S	S	.	.	H	α-helix	trans	-65.1	-23.1	176.5	-56.9	82.6	179.7	0	0	113.1	R128 Q134	R128-E130 WeakPolarHBondContact CB-OE2 3.16Å; R128-E130 PolarHBondContact O-N 3.4Å; R128-E130 VanDerWaalsContact O-N 3.13Å; E130-Q134 VanDerWaalsContact O-CG 3.25Å; E130-Q134 WeakPolarHBondContact O-CG 3.29Å; E130-Q134 PolarHBondContact O-N 3.42Å; E130-Q134 VanDerWaalsContact O-N 3.16Å
131	L	80.7	Confident	75.9	Confident	45 Å²	45	64.4 Å²	64.4	24%	0.236	36%	0.355	C	S	.	.	H	α-helix	trans	-69.3	-36.4	176.4	-74.6	156.9	0	0	0	111.6	Y117 R128 P129 E133 Q134 Y135	Y117-L131 HydrophobicContact CD2-CB 4.13Å; Y117-L131 HydrophobicContact CE2-CB 4.06Å; R128-L131 HydrophobicContact CB-CD1 3.79Å; R128-L131 HydrophobicContact CB-CG 4.19Å; R128-L131 HydrophobicContact CG-CD1 4.28Å; R128-L131 VanDerWaalsContact O-CB 3.29Å; R128-L131 WeakPolarHBondContact O-CB 3.48Å; R128-L131 PolarHBondContact O-N 2.92Å; P129-L131 PolarHBondContact O-N 3.48Å; L131-E133 VanDerWaalsContact C-N 3.35Å; L131-E133 PolarHBondContact O-N 3.1Å; L131-Q134 WeakPolarHBondContact O-CB 3.36Å; L131-Q134 PolarHBondContact O-N 2.9Å; L131-Y135 HydrophobicContact CB-CE2 4.13Å; L131-Y135 VanDerWaalsContact O-CD2 3.31Å; L131-Y135 WeakPolarHBondContact O-CD2 3.49Å; L131-Y135 VanDerWaalsContact O-CG 3.25Å; L131-Y135 PolarHBondContact O-N 3.4Å
132	L	88.2	Confident	76	Confident	8 Å²	8	68.1 Å²	68.1	4%	0.042	37%	0.366	C	S	.	.	H	α-helix	trans	-63	-44.2	179	179.4	59.9	0	0	0	111	F110 A113 K114 Y117 P129 Q134 Y135 F136	F110-L132 HydrophobicContact CE2-CD2 3.82Å; F110-L132 HydrophobicContact CE2-CG 4.31Å; F110-L132 HydrophobicContact CZ-CD2 4.09Å; A113-L132 HydrophobicContact CB-CD1 4.02Å; K114-L132 HydrophobicContact CB-CD1 4.21Å; Y117-L132 HydrophobicContact CD2-CB 4.27Å; Y117-L132 HydrophobicContact CG-CB 4.47Å; Y117-L132 HydrophobicContact CG-CD1 4.41Å; P129-L132 PolarHBondContact O-N 3.27Å; L132-Q134 VanDerWaalsContact C-N 3.33Å; L132-Q134 PolarHBondContact O-N 3.17Å; L132-Y135 PolarHBondContact O-N 3.22Å; L132-F136 PolarHBondContact O-N 2.74Å
133	E	90.2	Very high	76.1	Confident	41 Å²	41	66 Å²	66	19%	0.192	35%	0.346	C	S	.	.	H	α-helix	trans	-64.1	-38.9	175.9	-61.5	-179.1	172.5	0	0	111.6	L131 F136 F137 M154 H834 C836	L131-E133 VanDerWaalsContact C-N 3.35Å; L131-E133 PolarHBondContact O-N 3.1Å; E133-F136 WeakPolarHBondContact O-CB 3.44Å; E133-F136 PolarHBondContact O-N 2.97Å; E133-F137 WeakPolarHBondContact O-CD2 3.16Å; E133-F137 PolarHBondContact O-N 3.05Å; E133-M154 HydrophobicContact CB-CE 4.23Å; E133-H834 IonicContact OE1-ND1 2.65Å; E133-H834 PolarHBondContact OE1-ND1 2.65Å; E133-C836 VanDerWaalsContact CG-SG 3.55Å; E133-C836 PolarHBondContact OE1-SG 2.92Å; E133-C836 PolarHBondContact OE2-SG 3.46Å; E133-C836 VanDerWaalsContact OE2-SG 3.41Å
134	Q	85.5	Confident	75.8	Confident	72 Å²	72	63.6 Å²	63.6	34%	0.336	33%	0.328	S	S	.	.	H	α-helix	trans	-63.1	-48.1	174.6	-72.1	173.5	19	0	0	111.8	E130 L131 L132 F136 F137 E138	E130-Q134 VanDerWaalsContact O-CG 3.25Å; E130-Q134 WeakPolarHBondContact O-CG 3.29Å; E130-Q134 PolarHBondContact O-N 3.42Å; E130-Q134 VanDerWaalsContact O-N 3.16Å; L131-Q134 WeakPolarHBondContact O-CB 3.36Å; L131-Q134 PolarHBondContact O-N 2.9Å; L132-Q134 VanDerWaalsContact C-N 3.33Å; L132-Q134 PolarHBondContact O-N 3.17Å; Q134-F136 VanDerWaalsContact C-N 3.29Å; Q134-F136 PolarHBondContact O-N 2.9Å; Q134-F137 PolarHBondContact O-N 3.37Å; Q134-E138 WeakPolarHBondContact O-CG 3.47Å; Q134-E138 PolarHBondContact O-N 2.63Å
135	Y	87.1	Confident	75.4	Confident	27 Å²	27	64.9 Å²	64.9	11%	0.106	33%	0.325	C	S	.	.	H	α-helix	trans	-62.7	-35.9	177.2	-64.7	-27.8	0	0	0	112.1	K116 Y117 I120 L131 L132 F137 E138 M139	K116-Y135 HydrophobicContact CD-CD1 4Å; K116-Y135 HydrophobicContact CD-CD2 4.41Å; K116-Y135 HydrophobicContact CD-CE1 4.46Å; K116-Y135 HydrophobicContact CD-CG 3.99Å; K116-Y135 HydrophobicContact CG-CD2 4.3Å; K116-Y135 HydrophobicContact CG-CG 4.37Å; Y117-Y135 HydrophobicContact CD2-CD2 4.38Å; Y117-Y135 HydrophobicContact CD2-CE2 4.24Å; I120-Y135 HydrophobicContact CD1-CE2 3.91Å; I120-Y135 VanDerWaalsContact CD1-OH 3.22Å; I120-Y135 WeakPolarHBondContact CD1-OH 3.46Å; L131-Y135 HydrophobicContact CB-CE2 4.13Å; L131-Y135 VanDerWaalsContact O-CD2 3.31Å; L131-Y135 WeakPolarHBondContact O-CD2 3.49Å; L131-Y135 VanDerWaalsContact O-CG 3.25Å; L131-Y135 PolarHBondContact O-N 3.4Å; L132-Y135 PolarHBondContact O-N 3.22Å; Y135-F137 PolarHBondContact O-N 3.37Å; Y135-E138 WeakPolarHBondContact CD1-OE2 3.46Å; Y135-E138 PolarHBondContact O-N 2.54Å; Y135-M139 VanDerWaalsContact O-CG 3.24Å; Y135-M139 WeakPolarHBondContact O-CG 3.24Å; Y135-M139 PolarHBondContact O-N 3.28Å
136	F	91.8	Very high	75.1	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-56.3	-50.6	173.4	-179.6	-80	0	0	0	111.9	H106 L109 F110 A113 L132 E133 Q134 M139 E140 L837 R840	H106-F136 AromaticContact CE1-CE2 3.95Å; H106-F136 AromaticContact CE1-CZ 3.58Å; H106-F136 AromaticContact ND1-CZ 3.5Å; H106-F136 WeakPolarHBondContact ND1-CZ 3.24Å; L109-F136 HydrophobicContact CB-CD2 3.91Å; L109-F136 HydrophobicContact CB-CE1 4.38Å; L109-F136 HydrophobicContact CB-CE2 3.36Å; L109-F136 HydrophobicContact CB-CZ 3.61Å; L109-F136 HydrophobicContact CD1-CE1 4.22Å; L109-F136 HydrophobicContact CD1-CE2 4.43Å; L109-F136 HydrophobicContact CD1-CZ 3.8Å; L109-F136 HydrophobicContact CG-CZ 4.33Å; F110-F136 HydrophobicContact CB-CD2 4.19Å; F110-F136 HydrophobicContact CB-CE2 4.13Å; F110-F136 HydrophobicContact CD2-CD2 4.44Å; A113-F136 HydrophobicContact CB-CB 4.05Å; L132-F136 PolarHBondContact O-N 2.74Å; E133-F136 WeakPolarHBondContact O-CB 3.44Å; E133-F136 PolarHBondContact O-N 2.97Å; Q134-F136 VanDerWaalsContact C-N 3.29Å; Q134-F136 PolarHBondContact O-N 2.9Å; F136-M139 PolarHBondContact O-N 3.48Å; F136-E140 PolarHBondContact O-N 3.02Å; F136-L837 HydrophobicContact CB-CD2 3.85Å; F136-L837 HydrophobicContact CD1-CD2 3.34Å; F136-L837 HydrophobicContact CD2-CD1 3.84Å; F136-L837 HydrophobicContact CD2-CD2 3.74Å; F136-L837 HydrophobicContact CD2-CG 4.4Å; F136-L837 HydrophobicContact CE1-CD2 3.78Å; F136-L837 HydrophobicContact CE2-CD1 4.23Å; F136-L837 HydrophobicContact CE2-CD2 4.11Å; F136-L837 HydrophobicContact CG-CD1 4.22Å; F136-L837 HydrophobicContact CG-CD2 3.34Å; F136-L837 HydrophobicContact CG-CG 4.42Å; F136-L837 HydrophobicContact CZ-CD2 4.15Å; F136-R840 HydrophobicContact CE1-CG 4.31Å
137	F	88.3	Confident	75.1	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.009	30%	0.302	C	S	.	.	H	α-helix	trans	-75	-25.1	-178.2	-72.2	-65.9	0	0	0	113.5	E133 Q134 Y135 E140 Y141 C148 R149 K150 M154 C836 L837 R840	E133-F137 WeakPolarHBondContact O-CD2 3.16Å; E133-F137 PolarHBondContact O-N 3.05Å; Q134-F137 PolarHBondContact O-N 3.37Å; Y135-F137 PolarHBondContact O-N 3.37Å; F137-E140 WeakPolarHBondContact CD1-OE2 3.43Å; F137-E140 PolarHBondContact O-N 2.69Å; F137-Y141 PolarHBondContact O-N 3.35Å; F137-C148 PolarHBondContact O-SG 3.42Å; F137-R149 HydrophobicContact CE1-CB 4.43Å; F137-K150 HydrophobicContact CB-CB 3.79Å; F137-K150 HydrophobicContact CB-CD 3.99Å; F137-K150 HydrophobicContact CB-CG 3.91Å; F137-K150 HydrophobicContact CD1-CB 3.93Å; F137-K150 HydrophobicContact CD2-CB 4.18Å; F137-K150 HydrophobicContact CD2-CG 3.94Å; F137-K150 HydrophobicContact CG-CB 3.7Å; F137-K150 HydrophobicContact CG-CD 4.5Å; F137-K150 HydrophobicContact CG-CG 3.89Å; F137-M154 HydrophobicContact CD2-CG 4.18Å; F137-M154 HydrophobicContact CD2-SD 3.76Å; F137-M154 HydrophobicContact CE2-CG 3.73Å; F137-M154 HydrophobicContact CE2-SD 3.9Å; F137-C836 HydrophobicContact CE2-CB 4.5Å; F137-L837 HydrophobicContact CE2-CD2 4.15Å; F137-L837 HydrophobicContact CZ-CD2 4.23Å; F137-R840 HydrophobicContact CE1-CB 4.09Å; F137-R840 HydrophobicContact CE1-CG 4.11Å; F137-R840 HydrophobicContact CZ-CB 4.28Å
138	E	81.9	Confident	75.6	Confident	67 Å²	67	57.4 Å²	57.4	31%	0.313	29%	0.287	S	S	.	.	H	α-helix	trans	-63.6	-47.1	166.6	-74.2	172.5	-165.4	0	0	111	K116 Q134 Y135 E140 Y141 E142	K116-E138 IonicContact NZ-OE2 2.65Å; K116-E138 PolarHBondContact NZ-OE2 3.39Å; Q134-E138 WeakPolarHBondContact O-CG 3.47Å; Q134-E138 PolarHBondContact O-N 2.63Å; Y135-E138 WeakPolarHBondContact CD1-OE2 3.46Å; Y135-E138 PolarHBondContact O-N 2.54Å; E138-E140 VanDerWaalsContact C-N 3.27Å; E138-E140 PolarHBondContact O-N 3Å; E138-Y141 WeakPolarHBondContact O-CB 3.24Å; E138-Y141 PolarHBondContact O-N 3.49Å; E138-E142 WeakPolarHBondContact O-CG 3.42Å; E138-E142 PolarHBondContact O-N 2.87Å
139	M	84.1	Confident	76.3	Confident	17 Å²	17	50.6 Å²	50.6	8%	0.084	26%	0.262	C	S	.	.	H	α-helix	trans	-62.8	-34.5	175.9	-65.4	-59.9	91.1	0	0	112	L109 K112 K116 Y135 F136 E142 L143	L109-M139 VanDerWaalsContact CD2-C 3.48Å; L109-M139 HydrophobicContact CD2-CB 3.89Å; K112-M139 HydrophobicContact CB-CG 4.11Å; K112-M139 HydrophobicContact CB-SD 4.2Å; K116-M139 HydrophobicContact CD-CE 4.32Å; Y135-M139 VanDerWaalsContact O-CG 3.24Å; Y135-M139 WeakPolarHBondContact O-CG 3.24Å; Y135-M139 PolarHBondContact O-N 3.28Å; F136-M139 PolarHBondContact O-N 3.48Å; M139-E142 VanDerWaalsContact CE-CD 3.42Å; M139-E142 WeakPolarHBondContact CE-OE1 3.37Å; M139-E142 WeakPolarHBondContact CE-OE2 3.27Å; M139-L143 WeakPolarHBondContact O-CB 3.3Å; M139-L143 WeakPolarHBondContact O-CG 3.45Å; M139-L143 PolarHBondContact O-N 3.38Å
140	E	83.3	Confident	77.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.3	-45.8	173.8	-174.3	-179.5	-131.6	0	0	110.9	L109 F136 F137 E138 E142 L143 E144 R149 R840	L109-E140 HydrophobicContact CD1-CB 4.24Å; L109-E140 HydrophobicContact CD1-CG 4.34Å; L109-E140 VanDerWaalsContact CD2-CA 3.48Å; L109-E140 HydrophobicContact CD2-CB 4.01Å; L109-E140 VanDerWaalsContact CD2-N 3.35Å; F136-E140 PolarHBondContact O-N 3.02Å; F137-E140 WeakPolarHBondContact CD1-OE2 3.43Å; F137-E140 PolarHBondContact O-N 2.69Å; E138-E140 VanDerWaalsContact C-N 3.27Å; E138-E140 PolarHBondContact O-N 3Å; E140-E142 VanDerWaalsContact C-N 3.35Å; E140-E142 PolarHBondContact O-N 2.86Å; E140-L143 PolarHBondContact O-N 3.25Å; E140-E144 HydrophobicContact CG-CG 4.45Å; E140-E144 WeakPolarHBondContact O-CB 3.46Å; E140-E144 PolarHBondContact O-N 2.95Å; E140-R149 IonicContact OE1-NH1 2.69Å; E140-R149 PolarHBondContact OE1-NH1 2.84Å; E140-R149 PolarHBondContact OE2-N 2.65Å; E140-R840 IonicContact OE1-CZ 3.93Å; E140-R840 IonicContact OE1-NE 3.27Å; E140-R840 PolarHBondContact OE1-NE 2.92Å; E140-R840 IonicContact OE1-NH2 3.74Å; E140-R840 PolarHBondContact OE1-NH2 3.29Å
141	Y	76.2	Confident	77.4	Confident	140 Å²	140	51 Å²	51	55%	0.549	25%	0.251	S	S	.	.	H	α-helix	trans	-60.9	-44.1	178.4	-178	-107.3	0	0	0	111.9	F137 E138 S145 C148	F137-Y141 PolarHBondContact O-N 3.35Å; E138-Y141 WeakPolarHBondContact O-CB 3.24Å; E138-Y141 PolarHBondContact O-N 3.49Å; Y141-S145 WeakPolarHBondContact O-CA 3.38Å; Y141-S145 PolarHBondContact O-N 3.36Å; Y141-S145 VanDerWaalsContact O-N 3.1Å; Y141-C148 HydrophobicContact CD2-CB 4.05Å
142	E	72.8	Confident	77.5	Confident	120 Å²	120	49 Å²	49	56%	0.561	24%	0.24	S	C	*	.	H	α-helix	trans	-63.3	-44.1	176.1	-71.7	177	-165.1	0	0	112.3	E138 M139 E140 S145	E138-E142 WeakPolarHBondContact O-CG 3.42Å; E138-E142 PolarHBondContact O-N 2.87Å; M139-E142 VanDerWaalsContact CE-CD 3.42Å; M139-E142 WeakPolarHBondContact CE-OE1 3.37Å; M139-E142 WeakPolarHBondContact CE-OE2 3.27Å; E140-E142 VanDerWaalsContact C-N 3.35Å; E140-E142 PolarHBondContact O-N 2.86Å; E142-S145 PolarHBondContact O-OG 2.89Å
143	L	71.3	Confident	77.5	Confident	50 Å²	50	49 Å²	49	26%	0.262	24%	0.241	S	C	.	.	H	α-helix	trans	-78.1	-37.8	-175.1	-76.8	173.8	0	0	0	114.1	L109 M139 E140	L109-L143 HydrophobicContact CD2-CD1 3.64Å; L109-L143 HydrophobicContact CG-CD1 4.41Å; M139-L143 WeakPolarHBondContact O-CB 3.3Å; M139-L143 WeakPolarHBondContact O-CG 3.45Å; M139-L143 PolarHBondContact O-N 3.38Å; E140-L143 PolarHBondContact O-N 3.25Å
144	E	66.6	Low	77.2	Confident	53 Å²	53	50.7 Å²	50.7	25%	0.248	25%	0.25	C	C	.	.	H	α-helix	trans	-92.7	-15.5	-175.9	-66.3	-168.7	-172.7	0	0	112.7	E140 S146 R149 R840	E140-E144 HydrophobicContact CG-CG 4.45Å; E140-E144 WeakPolarHBondContact O-CB 3.46Å; E140-E144 PolarHBondContact O-N 2.95Å; E144-S146 WeakPolarHBondContact O-CB 3.48Å; E144-S146 PolarHBondContact O-N 3.04Å; E144-S146 PolarHBondContact O-OG 3.09Å; E144-R149 IonicContact OE1-NH1 3.05Å; E144-R149 IonicContact OE2-CZ 2.85Å; E144-R149 IonicContact OE2-NH1 2.75Å; E144-R149 PolarHBondContact OE2-NH1 3.47Å; E144-R840 IonicContact OE1-NH2 3.88Å; E144-R840 PolarHBondContact OE1-NH2 2.85Å
145	S	54.7	Low	77.1	Confident	99 Å²	99	49.5 Å²	49.5	69%	0.692	25%	0.249	S	C	*	.	S	Bend	trans	49.6	-11.4	176.9	-63.5	0	0	0	0	117.3	Y141 E142	Y141-S145 WeakPolarHBondContact O-CA 3.38Å; Y141-S145 PolarHBondContact O-N 3.36Å; Y141-S145 VanDerWaalsContact O-N 3.1Å; E142-S145 PolarHBondContact O-OG 2.89Å
146	S	51.8	Low	76.9	Confident	71 Å²	71	53.2 Å²	53.2	50%	0.497	27%	0.266	S	S	.	.	S	Bend	trans	-119	-27.4	-169.7	52.2	0	0	0	0	111.6	E144	E144-S146 WeakPolarHBondContact O-CB 3.48Å; E144-S146 PolarHBondContact O-N 3.04Å; E144-S146 PolarHBondContact O-OG 3.09Å
147	F	59.8	Low	76.1	Confident	30 Å²	30	59.2 Å²	59.2	13%	0.132	29%	0.294	C	S	.	.			trans	-149.9	151.3	-176.8	-50.4	-72.3	0	0	0	112.8	S865 R866	F147-S865 VanDerWaalsContact CD1-C 3.47Å; F147-S865 VanDerWaalsContact CD1-O 3.3Å; F147-S865 WeakPolarHBondContact CD1-O 3.49Å; F147-R866 HydrophobicContact CE1-CB 4.14Å; F147-R866 HydrophobicContact CE1-CG 3.57Å; F147-R866 HydrophobicContact CZ-CG 3.83Å
148	C	68.8	Low	75.4	Confident	34 Å²	34	59.3 Å²	59.3	23%	0.23	30%	0.296	C	S	.	.			trans	-137.8	124.3	171.1	179	0	0	0	0	109.1	F137 Y141 K150	F137-C148 PolarHBondContact O-SG 3.42Å; Y141-C148 HydrophobicContact CD2-CB 4.05Å; C148-K150 PolarHBondContact O-N 3.06Å; C148-K150 WeakPolarHBondContact SG-CB 3.48Å
149	R	81.9	Confident	75.6	Confident	5 Å²	5	56.3 Å²	56.3	2%	0.019	28%	0.282	C	S	.	.			trans	-88.3	13.3	-176.5	-63.7	178.3	-179.8	78.7	-1.1	111.8	F137 E140 E144 R151 L152 S153 R840 E847 S865	F137-R149 HydrophobicContact CE1-CB 4.43Å; E140-R149 IonicContact OE1-NH1 2.69Å; E140-R149 PolarHBondContact OE1-NH1 2.84Å; E140-R149 PolarHBondContact OE2-N 2.65Å; E144-R149 IonicContact OE1-NH1 3.05Å; E144-R149 IonicContact OE2-CZ 2.85Å; E144-R149 IonicContact OE2-NH1 2.75Å; E144-R149 PolarHBondContact OE2-NH1 3.47Å; R149-R151 PolarHBondContact O-N 2.73Å; R149-L152 HydrophobicContact CB-CD1 4.44Å; R149-L152 HydrophobicContact CB-CD2 3.51Å; R149-L152 HydrophobicContact CB-CG 3.87Å; R149-L152 HydrophobicContact CG-CD2 3.54Å; R149-L152 HydrophobicContact CG-CG 4.44Å; R149-L152 WeakPolarHBondContact O-CG 3.42Å; R149-L152 PolarHBondContact O-N 3.26Å; R149-S153 VanDerWaalsContact O-CB 3.3Å; R149-S153 WeakPolarHBondContact O-CB 3.28Å; R149-S153 PolarHBondContact O-N 3.37Å; R149-S153 PolarHBondContact O-OG 3.29Å; R149-R840 HydrophobicContact CB-CG 4.08Å; R149-E847 IonicContact CZ-OE1 2.65Å; R149-E847 IonicContact CZ-OE2 3.7Å; R149-E847 IonicContact NE-OE1 3.97Å; R149-E847 PolarHBondContact NE-OE1 3.1Å; R149-E847 VanDerWaalsContact NE-OE1 3.08Å; R149-E847 IonicContact NE-OE2 3.91Å; R149-E847 IonicContact NH2-OE1 3.72Å; R149-E847 IonicContact NH2-OE2 3.73Å; R149-E847 PolarHBondContact NH2-OE2 3.44Å; R149-S865 PolarHBondContact NH2-OG 2.65Å
150	K	83.4	Confident	75.4	Confident	77 Å²	77	57.4 Å²	57.4	34%	0.335	29%	0.287	S	S	.	.	H	α-helix	trans	-52.7	-50	178.1	-169.9	173.5	-177.8	170	0	112.8	F137 C148 L152 S153 M154	F137-K150 HydrophobicContact CB-CB 3.79Å; F137-K150 HydrophobicContact CB-CD 3.99Å; F137-K150 HydrophobicContact CB-CG 3.91Å; F137-K150 HydrophobicContact CD1-CB 3.93Å; F137-K150 HydrophobicContact CD2-CB 4.18Å; F137-K150 HydrophobicContact CD2-CG 3.94Å; F137-K150 HydrophobicContact CG-CB 3.7Å; F137-K150 HydrophobicContact CG-CD 4.5Å; F137-K150 HydrophobicContact CG-CG 3.89Å; C148-K150 PolarHBondContact O-N 3.06Å; C148-K150 WeakPolarHBondContact SG-CB 3.48Å; K150-L152 PolarHBondContact O-N 3.05Å; K150-S153 PolarHBondContact O-N 2.93Å; K150-M154 HydrophobicContact CD-SD 4.26Å; K150-M154 HydrophobicContact CG-CG 4.26Å; K150-M154 HydrophobicContact CG-SD 3.53Å; K150-M154 VanDerWaalsContact CG-SD 3.53Å; K150-M154 VanDerWaalsContact O-CB 3.29Å; K150-M154 WeakPolarHBondContact O-CB 3.3Å; K150-M154 WeakPolarHBondContact O-CG 3.4Å; K150-M154 PolarHBondContact O-N 3.23Å
151	R	77	Confident	74.9	Confident	114 Å²	114	60.5 Å²	60.5	43%	0.43	30%	0.302	S	S	.	.	H	α-helix	trans	-65	-42.7	-176.2	-177.4	177.8	177.2	175.8	1.5	112	R149 S153 S155 E161	R149-R151 PolarHBondContact O-N 2.73Å; R151-S153 VanDerWaalsContact C-N 3.32Å; R151-S155 VanDerWaalsContact O-CB 3.31Å; R151-S155 WeakPolarHBondContact O-CB 3.31Å; R151-S155 PolarHBondContact O-N 3.42Å; R151-S155 VanDerWaalsContact O-N 3.14Å; R151-E161 IonicContact CZ-OE2 3.5Å; R151-E161 IonicContact NE-OE2 2.93Å; R151-E161 IonicContact NH2-OE1 2.75Å; R151-E161 IonicContact NH2-OE2 3.32Å; R151-E161 PolarHBondContact NH2-OE2 2.95Å
152	L	82.6	Confident	75.1	Confident	2 Å²	2	54 Å²	54	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-71	-30.8	179.8	81.1	88.1	0	0	0	111.8	R149 K150 E159 F162 Y843 N868	R149-L152 HydrophobicContact CB-CD1 4.44Å; R149-L152 HydrophobicContact CB-CD2 3.51Å; R149-L152 HydrophobicContact CB-CG 3.87Å; R149-L152 HydrophobicContact CG-CD2 3.54Å; R149-L152 HydrophobicContact CG-CG 4.44Å; R149-L152 WeakPolarHBondContact O-CG 3.42Å; R149-L152 PolarHBondContact O-N 3.26Å; K150-L152 PolarHBondContact O-N 3.05Å; L152-E159 WeakPolarHBondContact O-CB 3.41Å; L152-F162 HydrophobicContact CB-CB 4.41Å; L152-Y843 HydrophobicContact CD1-CD2 3.08Å; L152-Y843 HydrophobicContact CD1-CE2 3.64Å; L152-Y843 HydrophobicContact CD1-CG 3.69Å; L152-N868 HydrophobicContact CD2-CB 4.44Å; L152-N868 VanDerWaalsContact CD2-CG 3.42Å; L152-N868 WeakPolarHBondContact CD2-ND2 3.23Å; L152-N868 WeakPolarHBondContact CD2-OD1 3.39Å
153	S	88.3	Confident	75.7	Confident	7 Å²	7	48.3 Å²	48.3	5%	0.049	25%	0.25	C	S	.	.	H	α-helix	trans	-87.9	-31.3	-176.5	-71.7	0	0	0	0	114.4	R149 K150 R151 C836 R840	R149-S153 VanDerWaalsContact O-CB 3.3Å; R149-S153 WeakPolarHBondContact O-CB 3.28Å; R149-S153 PolarHBondContact O-N 3.37Å; R149-S153 PolarHBondContact O-OG 3.29Å; K150-S153 PolarHBondContact O-N 2.93Å; R151-S153 VanDerWaalsContact C-N 3.32Å; S153-C836 VanDerWaalsContact CB-O 3.29Å; S153-C836 WeakPolarHBondContact CB-O 3.24Å; S153-C836 PolarHBondContact OG-O 3.46Å; S153-R840 WeakPolarHBondContact OG-CA 3.44Å; S153-R840 WeakPolarHBondContact OG-CB 3.37Å; S153-R840 PolarHBondContact OG-N 3.01Å
154	M	84.8	Confident	76	Confident	78 Å²	78	51.2 Å²	51.2	38%	0.384	26%	0.258	S	S	.	.	H	α-helix	trans	-105	-17.3	-174.8	-58	-174.8	81.2	0	0	113.9	E133 F137 K150 C836	E133-M154 HydrophobicContact CB-CE 4.23Å; F137-M154 HydrophobicContact CD2-CG 4.18Å; F137-M154 HydrophobicContact CD2-SD 3.76Å; F137-M154 HydrophobicContact CE2-CG 3.73Å; F137-M154 HydrophobicContact CE2-SD 3.9Å; K150-M154 HydrophobicContact CD-SD 4.26Å; K150-M154 HydrophobicContact CG-CG 4.26Å; K150-M154 HydrophobicContact CG-SD 3.53Å; K150-M154 VanDerWaalsContact CG-SD 3.53Å; K150-M154 VanDerWaalsContact O-CB 3.29Å; K150-M154 WeakPolarHBondContact O-CB 3.3Å; K150-M154 WeakPolarHBondContact O-CG 3.4Å; K150-M154 PolarHBondContact O-N 3.23Å; M154-C836 HydrophobicContact CG-CB 4.33Å
155	S	81.9	Confident	76.3	Confident	46 Å²	46	50.1 Å²	50.1	32%	0.322	26%	0.255	S	S	.	.			trans	-118.4	124.4	-177.8	176.2	0	0	0	0	111.9	R151 Q157 G158 E159	R151-S155 VanDerWaalsContact O-CB 3.31Å; R151-S155 WeakPolarHBondContact O-CB 3.31Å; R151-S155 PolarHBondContact O-N 3.42Å; R151-S155 VanDerWaalsContact O-N 3.14Å; S155-Q157 VanDerWaalsContact C-N 3.25Å; S155-Q157 PolarHBondContact O-N 3.35Å; S155-Q157 PolarHBondContact OG-N 3.29Å; S155-G158 PolarHBondContact O-N 2.84Å; S155-G158 VanDerWaalsContact O-N 3.16Å; S155-G158 PolarHBondContact OG-N 3.14Å; S155-E159 PolarHBondContact O-N 3.44Å
156	K	82.9	Confident	77.5	Confident	105 Å²	105	45.4 Å²	45.4	46%	0.457	22%	0.223	S	C	.	.	H	α-helix	trans	-61.8	-35.4	175.2	-170.9	65.5	-167.6	168.3	0	112.7	E159 N160	K156-E159 IonicContact NZ-OE2 3.23Å; K156-E159 PolarHBondContact NZ-OE2 2.87Å; K156-N160 WeakPolarHBondContact O-CB 3.43Å; K156-N160 PolarHBondContact O-N 3.41Å; K156-N160 PolarHBondContact O-ND2 3.07Å
157	Q	75.6	Confident	78.8	Confident	127 Å²	127	42 Å²	42	59%	0.593	20%	0.199	S	C	*	.	H	α-helix	trans	-66.8	-46.9	174.9	-178.7	-178	-10.7	0	0	110.8	S155 E159 N160 E161	S155-Q157 VanDerWaalsContact C-N 3.25Å; S155-Q157 PolarHBondContact O-N 3.35Å; S155-Q157 PolarHBondContact OG-N 3.29Å; Q157-E159 VanDerWaalsContact C-N 3.31Å; Q157-E159 PolarHBondContact O-N 3.42Å; Q157-N160 PolarHBondContact O-N 3.26Å; Q157-E161 WeakPolarHBondContact CG-OE1 3.49Å; Q157-E161 PolarHBondContact NE2-OE1 2.94Å; Q157-E161 WeakPolarHBondContact O-CG 3.26Å; Q157-E161 PolarHBondContact O-N 3Å
158	G	74	Confident	79.5	Confident	4 Å²	4	41.4 Å²	41.4	4%	0.041	20%	0.197	C	C	.	.	H	α-helix	trans	-57.6	-44.9	176.7	0	0	0	0	0	112.4	S155 E161 F162	S155-G158 PolarHBondContact O-N 2.84Å; S155-G158 VanDerWaalsContact O-N 3.16Å; S155-G158 PolarHBondContact OG-N 3.14Å; G158-E161 PolarHBondContact O-N 3.44Å; G158-F162 PolarHBondContact O-N 3.22Å
159	E	85.9	Confident	79.9	Confident	4 Å²	4	40.5 Å²	40.5	2%	0.019	19%	0.19	C	C	.	.	H	α-helix	trans	-59.9	-48.3	174.7	-173.4	-178.6	-144.3	0	0	112.1	L152 S155 K156 Q157 E161 F162 L163 R839 Y843	L152-E159 WeakPolarHBondContact O-CB 3.41Å; S155-E159 PolarHBondContact O-N 3.44Å; K156-E159 IonicContact NZ-OE2 3.23Å; K156-E159 PolarHBondContact NZ-OE2 2.87Å; Q157-E159 VanDerWaalsContact C-N 3.31Å; Q157-E159 PolarHBondContact O-N 3.42Å; E159-E161 VanDerWaalsContact C-N 3.29Å; E159-E161 PolarHBondContact O-N 3.41Å; E159-F162 PolarHBondContact O-N 3.4Å; E159-L163 HydrophobicContact CG-CD1 3.83Å; E159-L163 HydrophobicContact CG-CG 4.15Å; E159-L163 VanDerWaalsContact O-CB 3.31Å; E159-L163 WeakPolarHBondContact O-CB 3.36Å; E159-L163 VanDerWaalsContact O-CG 3.31Å; E159-L163 WeakPolarHBondContact O-CG 3.35Å; E159-L163 PolarHBondContact O-N 3.02Å; E159-R839 VanDerWaalsContact CD-NH1 3.3Å; E159-R839 IonicContact OE1-CZ 2.85Å; E159-R839 IonicContact OE1-NH1 2.72Å; E159-R839 PolarHBondContact OE1-NH1 2.92Å; E159-R839 IonicContact OE2-NH1 3.14Å; E159-R839 PolarHBondContact OE2-NH1 3.18Å; E159-Y843 HydrophobicContact CG-CE2 4.33Å; E159-Y843 VanDerWaalsContact CG-OH 3.31Å; E159-Y843 WeakPolarHBondContact CG-OH 3.3Å; E159-Y843 PolarHBondContact OE1-OH 3.16Å
160	N	80.8	Confident	79.8	Confident	39 Å²	39	41.2 Å²	41.2	21%	0.209	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-36.1	-179.2	-74.4	-25.1	0	0	0	112.3	K156 Q157 R164	K156-N160 WeakPolarHBondContact O-CB 3.43Å; K156-N160 PolarHBondContact O-N 3.41Å; K156-N160 PolarHBondContact O-ND2 3.07Å; Q157-N160 PolarHBondContact O-N 3.26Å; N160-R164 WeakPolarHBondContact O-CB 3.41Å; N160-R164 WeakPolarHBondContact O-CD 3.45Å; N160-R164 WeakPolarHBondContact O-CG 3.44Å; N160-R164 PolarHBondContact O-N 3.46Å
161	E	72.8	Confident	79.5	Confident	65 Å²	65	37.6 Å²	37.6	30%	0.304	18%	0.179	S	C	.	.	H	α-helix	trans	-67.8	-43	174.9	-72.6	168.3	-176.5	0	0	111.8	R151 Q157 G158 E159 R164 S165	R151-E161 IonicContact CZ-OE2 3.5Å; R151-E161 IonicContact NE-OE2 2.93Å; R151-E161 IonicContact NH2-OE1 2.75Å; R151-E161 IonicContact NH2-OE2 3.32Å; R151-E161 PolarHBondContact NH2-OE2 2.95Å; Q157-E161 WeakPolarHBondContact CG-OE1 3.49Å; Q157-E161 PolarHBondContact NE2-OE1 2.94Å; Q157-E161 WeakPolarHBondContact O-CG 3.26Å; Q157-E161 PolarHBondContact O-N 3Å; G158-E161 PolarHBondContact O-N 3.44Å; E159-E161 VanDerWaalsContact C-N 3.29Å; E159-E161 PolarHBondContact O-N 3.41Å; E161-R164 PolarHBondContact O-N 3.43Å; E161-S165 PolarHBondContact O-N 3.3Å; E161-S165 PolarHBondContact O-OG 3.44Å
162	F	79.7	Confident	79.4	Confident	5 Å²	5	37.8 Å²	37.8	2%	0.022	18%	0.181	C	C	.	.	H	α-helix	trans	-61.5	-50.9	173.3	174.3	-102.2	0	0	0	111.1	L152 G158 E159 R164 S165 L166 Y843 I864 N868	L152-F162 HydrophobicContact CB-CB 4.41Å; G158-F162 PolarHBondContact O-N 3.22Å; E159-F162 PolarHBondContact O-N 3.4Å; F162-R164 VanDerWaalsContact C-N 3.32Å; F162-R164 PolarHBondContact O-N 3.5Å; F162-S165 CarbonylContact O-C 3.39Å; F162-S165 WeakPolarHBondContact O-CB 3.49Å; F162-S165 PolarHBondContact O-N 3.47Å; F162-L166 HydrophobicContact CE1-CB 4.43Å; F162-L166 HydrophobicContact CE1-CD2 4.07Å; F162-L166 WeakPolarHBondContact O-CB 3.34Å; F162-L166 PolarHBondContact O-N 3.24Å; F162-Y843 HydrophobicContact CD1-CD1 4.1Å; F162-Y843 AromaticContact CD1-CE1 3.89Å; F162-Y843 HydrophobicContact CD1-CE1 3.89Å; F162-Y843 AromaticContact CE1-CD1 3.45Å; F162-Y843 HydrophobicContact CE1-CD1 3.45Å; F162-Y843 VanDerWaalsContact CE1-CD1 3.45Å; F162-Y843 AromaticContact CE1-CE1 3.6Å; F162-Y843 HydrophobicContact CE1-CE1 3.6Å; F162-Y843 HydrophobicContact CE1-CG 4.23Å; F162-Y843 HydrophobicContact CZ-CD1 4.35Å; F162-I864 HydrophobicContact CE2-CG2 4.32Å; F162-I864 HydrophobicContact CZ-CG2 4.28Å; F162-N868 WeakPolarHBondContact CD2-ND2 3.24Å; F162-N868 WeakPolarHBondContact CD2-OD1 3.41Å; F162-N868 VanDerWaalsContact CE2-ND2 3.29Å; F162-N868 WeakPolarHBondContact CE2-ND2 3.1Å
163	L	84.4	Confident	79.3	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-56.5	-44.5	178.1	-77.5	176.9	0	0	0	111.1	E159 S165 L166 G167 A194 I198 Y843	E159-L163 HydrophobicContact CG-CD1 3.83Å; E159-L163 HydrophobicContact CG-CG 4.15Å; E159-L163 VanDerWaalsContact O-CB 3.31Å; E159-L163 WeakPolarHBondContact O-CB 3.36Å; E159-L163 VanDerWaalsContact O-CG 3.31Å; E159-L163 WeakPolarHBondContact O-CG 3.35Å; E159-L163 PolarHBondContact O-N 3.02Å; L163-S165 PolarHBondContact O-N 3.26Å; L163-L166 HydrophobicContact CD2-CD2 4.34Å; L163-L166 CarbonylContact O-C 3.59Å; L163-L166 WeakPolarHBondContact O-CB 3.47Å; L163-L166 PolarHBondContact O-N 3.43Å; L163-G167 PolarHBondContact O-N 2.95Å; L163-A194 VanDerWaalsContact C-CB 3.5Å; L163-A194 HydrophobicContact CB-CB 4.02Å; L163-A194 WeakPolarHBondContact O-CB 3.27Å; L163-I198 HydrophobicContact CD2-CB 4.19Å; L163-I198 HydrophobicContact CD2-CG2 3.64Å; L163-Y843 HydrophobicContact CD2-CE1 3.92Å; L163-Y843 WeakPolarHBondContact CD2-OH 3.33Å
164	R	77.6	Confident	78.9	Confident	111 Å²	111	38 Å²	38	42%	0.419	18%	0.181	S	C	.	.	H	α-helix	trans	-61	-43.4	175.3	-76	167.4	179.7	165.3	1.5	112.2	N160 E161 F162 G167 D168 R190	N160-R164 WeakPolarHBondContact O-CB 3.41Å; N160-R164 WeakPolarHBondContact O-CD 3.45Å; N160-R164 WeakPolarHBondContact O-CG 3.44Å; N160-R164 PolarHBondContact O-N 3.46Å; E161-R164 PolarHBondContact O-N 3.43Å; F162-R164 VanDerWaalsContact C-N 3.32Å; F162-R164 PolarHBondContact O-N 3.5Å; R164-G167 PolarHBondContact O-N 3.31Å; R164-D168 PolarHBondContact O-N 2.99Å; R164-R190 VanDerWaalsContact O-CD 3.3Å; R164-R190 WeakPolarHBondContact O-CD 3.45Å; R164-R190 WeakPolarHBondContact O-CG 3.37Å
165	S	73.7	Confident	78.5	Confident	29 Å²	29	34.5 Å²	34.5	20%	0.203	16%	0.164	C	C	.	.	H	α-helix	trans	-64.6	-41.8	176.8	-56.7	0	0	0	0	111.5	E161 F162 L163 G167 D168 V169	E161-S165 PolarHBondContact O-N 3.3Å; E161-S165 PolarHBondContact O-OG 3.44Å; F162-S165 CarbonylContact O-C 3.39Å; F162-S165 WeakPolarHBondContact O-CB 3.49Å; F162-S165 PolarHBondContact O-N 3.47Å; L163-S165 PolarHBondContact O-N 3.26Å; S165-G167 VanDerWaalsContact C-N 3.32Å; S165-G167 PolarHBondContact O-N 3.5Å; S165-D168 WeakPolarHBondContact O-CB 3.39Å; S165-D168 PolarHBondContact O-N 3.33Å; S165-V169 WeakPolarHBondContact O-CG2 3.38Å; S165-V169 PolarHBondContact O-N 3.16Å; S165-V169 VanDerWaalsContact O-N 3.1Å
166	L	80	Confident	77.8	Confident	1 Å²	1	35 Å²	35	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-60.9	-41.4	172.6	178.2	63	0	0	0	111.4	F162 L163 D168 V169 L170 I198 L846 I850	F162-L166 HydrophobicContact CE1-CB 4.43Å; F162-L166 HydrophobicContact CE1-CD2 4.07Å; F162-L166 WeakPolarHBondContact O-CB 3.34Å; F162-L166 PolarHBondContact O-N 3.24Å; L163-L166 HydrophobicContact CD2-CD2 4.34Å; L163-L166 CarbonylContact O-C 3.59Å; L163-L166 WeakPolarHBondContact O-CB 3.47Å; L163-L166 PolarHBondContact O-N 3.43Å; L166-D168 VanDerWaalsContact C-N 3.32Å; L166-D168 PolarHBondContact O-N 3.16Å; L166-V169 WeakPolarHBondContact O-CB 3.44Å; L166-V169 PolarHBondContact O-N 3.05Å; L166-V169 VanDerWaalsContact O-N 3.17Å; L166-L170 HydrophobicContact CD1-CD1 4.5Å; L166-L170 HydrophobicContact CD1-CG 4.31Å; L166-L170 HydrophobicContact CG-CD1 4.11Å; L166-L170 HydrophobicContact CG-CG 4.35Å; L166-L170 WeakPolarHBondContact O-CB 3.24Å; L166-L170 VanDerWaalsContact O-CG 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.39Å; L166-L170 PolarHBondContact O-N 3Å; L166-I198 HydrophobicContact CD2-CD1 4.28Å; L166-L846 HydrophobicContact CD2-CD2 3.74Å; L166-I850 HydrophobicContact CD1-CD1 3.5Å; L166-I850 VanDerWaalsContact CD1-CD1 3.5Å
167	G	79.1	Confident	76.7	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.4	-40.1	174.8	0	0	0	0	0	112.2	L163 R164 S165 V169 L170 V171	L163-G167 PolarHBondContact O-N 2.95Å; R164-G167 PolarHBondContact O-N 3.31Å; S165-G167 VanDerWaalsContact C-N 3.32Å; S165-G167 PolarHBondContact O-N 3.5Å; G167-V169 VanDerWaalsContact C-N 3.35Å; G167-L170 PolarHBondContact O-N 2.98Å; G167-V171 WeakPolarHBondContact O-CB 3.5Å; G167-V171 VanDerWaalsContact O-CG2 3.23Å; G167-V171 WeakPolarHBondContact O-CG2 3.17Å; G167-V171 PolarHBondContact O-N 2.9Å
168	D	75.4	Confident	75.8	Confident	17 Å²	17	37.3 Å²	37.3	9%	0.091	18%	0.182	C	C	.	.	H	α-helix	trans	-61.5	-43.3	173.8	-83.6	-32.6	0	0	0	111.3	R164 S165 L166 V171 Y172 R186 R190 R951	R164-D168 PolarHBondContact O-N 2.99Å; S165-D168 WeakPolarHBondContact O-CB 3.39Å; S165-D168 PolarHBondContact O-N 3.33Å; L166-D168 VanDerWaalsContact C-N 3.32Å; L166-D168 PolarHBondContact O-N 3.16Å; D168-V171 PolarHBondContact O-N 2.93Å; D168-Y172 WeakPolarHBondContact O-CB 3.3Å; D168-Y172 PolarHBondContact O-N 2.9Å; D168-R186 IonicContact OD1-CZ 2.72Å; D168-R186 IonicContact OD1-NE 3.88Å; D168-R186 PolarHBondContact OD1-NE 3.28Å; D168-R186 IonicContact OD1-NH2 3.89Å; D168-R186 PolarHBondContact OD1-NH2 3.46Å; D168-R186 IonicContact OD2-NH2 3.04Å; D168-R186 PolarHBondContact OD2-NH2 3.04Å; D168-R190 WeakPolarHBondContact OD1-CD 3.02Å; D168-R951 IonicContact OD2-CZ 3.91Å; D168-R951 IonicContact OD2-NH1 3.86Å; D168-R951 PolarHBondContact OD2-NH1 3.27Å; D168-R951 IonicContact OD2-NH2 3.7Å
169	V	75.8	Confident	74.9	Confident	14 Å²	14	39.6 Å²	39.6	9%	0.085	19%	0.194	C	C	.	.	H	α-helix	trans	-63.1	-48.1	175.7	174.8	0	0	0	0	110.9	S165 L166 G167 V171 Y172 L173 V859 M867	S165-V169 WeakPolarHBondContact O-CG2 3.38Å; S165-V169 PolarHBondContact O-N 3.16Å; S165-V169 VanDerWaalsContact O-N 3.1Å; L166-V169 WeakPolarHBondContact O-CB 3.44Å; L166-V169 PolarHBondContact O-N 3.05Å; L166-V169 VanDerWaalsContact O-N 3.17Å; G167-V169 VanDerWaalsContact C-N 3.35Å; V169-V171 VanDerWaalsContact C-N 3.33Å; V169-V171 PolarHBondContact O-N 2.88Å; V169-Y172 CarbonylContact O-C 3.57Å; V169-Y172 WeakPolarHBondContact O-CB 3.24Å; V169-Y172 PolarHBondContact O-N 3.27Å; V169-Y172 VanDerWaalsContact O-N 3.13Å; V169-L173 HydrophobicContact CG1-CD1 3.6Å; V169-L173 HydrophobicContact CG1-CG 4.07Å; V169-L173 WeakPolarHBondContact O-CB 3.42Å; V169-L173 VanDerWaalsContact O-CG 3.26Å; V169-L173 WeakPolarHBondContact O-CG 3.38Å; V169-L173 PolarHBondContact O-N 2.98Å; V169-V859 HydrophobicContact CG1-CG1 4.29Å; V169-V859 HydrophobicContact CG1-CG2 4.49Å; V169-M867 HydrophobicContact CG2-CE 3.15Å; V169-M867 HydrophobicContact CG2-SD 3.66Å
170	L	79.5	Confident	73.3	Confident	20 Å²	20	41.8 Å²	41.8	11%	0.105	21%	0.205	C	C	.	.	H	α-helix	trans	-61.7	-42.3	179.5	-70.4	175	0	0	0	111.1	L166 G167 Y172 L173 L174 I198 I850	L166-L170 HydrophobicContact CD1-CD1 4.5Å; L166-L170 HydrophobicContact CD1-CG 4.31Å; L166-L170 HydrophobicContact CG-CD1 4.11Å; L166-L170 HydrophobicContact CG-CG 4.35Å; L166-L170 WeakPolarHBondContact O-CB 3.24Å; L166-L170 VanDerWaalsContact O-CG 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.39Å; L166-L170 PolarHBondContact O-N 3Å; G167-L170 PolarHBondContact O-N 2.98Å; L170-Y172 VanDerWaalsContact C-N 3.32Å; L170-Y172 PolarHBondContact O-N 2.84Å; L170-L173 PolarHBondContact O-N 2.7Å; L170-L174 HydrophobicContact CB-CD1 4.25Å; L170-L174 WeakPolarHBondContact O-CB 3.42Å; L170-L174 WeakPolarHBondContact O-CG 3.34Å; L170-L174 PolarHBondContact O-N 3.49Å; L170-I198 HydrophobicContact CD1-CD1 3.51Å; L170-I850 HydrophobicContact CD2-CD1 4.31Å; L170-I850 HydrophobicContact CD2-CG1 4.4Å
171	V	77	Confident	71.9	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-59	-44.9	174.3	167.9	0	0	0	0	110.9	G167 D168 V169 L175 L180 R186 L189	G167-V171 WeakPolarHBondContact O-CB 3.5Å; G167-V171 VanDerWaalsContact O-CG2 3.23Å; G167-V171 WeakPolarHBondContact O-CG2 3.17Å; G167-V171 PolarHBondContact O-N 2.9Å; D168-V171 PolarHBondContact O-N 2.93Å; V169-V171 VanDerWaalsContact C-N 3.33Å; V169-V171 PolarHBondContact O-N 2.88Å; V171-L175 HydrophobicContact CG1-CD1 4.29Å; V171-L175 WeakPolarHBondContact O-CB 3.27Å; V171-L175 PolarHBondContact O-N 3.05Å; V171-L180 HydrophobicContact CG1-CD2 3.44Å; V171-L180 VanDerWaalsContact CG1-CD2 3.44Å; V171-R186 HydrophobicContact CG1-CG 4.09Å; V171-L189 HydrophobicContact CG2-CB 4.25Å; V171-L189 HydrophobicContact CG2-CD2 3.94Å; V171-L189 HydrophobicContact CG2-CG 4.01Å
172	Y	76.2	Confident	71	Confident	118 Å²	118	41.6 Å²	41.6	46%	0.463	21%	0.213	S	C	.	.	H	α-helix	trans	-64.4	-37.9	176.5	174.6	-100.5	0	0	0	113.5	D168 V169 L170 T177 R857	D168-Y172 WeakPolarHBondContact O-CB 3.3Å; D168-Y172 PolarHBondContact O-N 2.9Å; V169-Y172 CarbonylContact O-C 3.57Å; V169-Y172 WeakPolarHBondContact O-CB 3.24Å; V169-Y172 PolarHBondContact O-N 3.27Å; V169-Y172 VanDerWaalsContact O-N 3.13Å; L170-Y172 VanDerWaalsContact C-N 3.32Å; L170-Y172 PolarHBondContact O-N 2.84Å; Y172-T177 HydrophobicContact CD2-CG2 4.43Å; Y172-T177 HydrophobicContact CE2-CG2 4.12Å; Y172-R857 PolarHBondContact O-NH1 3.41Å
173	L	79.1	Confident	70.1	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-73.7	-38.2	179.4	-70.1	175.5	0	0	0	112.1	V169 L170 I850 F854 R857 V859	V169-L173 HydrophobicContact CG1-CD1 3.6Å; V169-L173 HydrophobicContact CG1-CG 4.07Å; V169-L173 WeakPolarHBondContact O-CB 3.42Å; V169-L173 VanDerWaalsContact O-CG 3.26Å; V169-L173 WeakPolarHBondContact O-CG 3.38Å; V169-L173 PolarHBondContact O-N 2.98Å; L170-L173 PolarHBondContact O-N 2.7Å; L173-I850 HydrophobicContact CD1-CG2 3.73Å; L173-F854 HydrophobicContact CB-CD1 4.44Å; L173-F854 HydrophobicContact CB-CD2 4.26Å; L173-F854 HydrophobicContact CB-CE1 4.45Å; L173-F854 HydrophobicContact CB-CE2 4.26Å; L173-F854 HydrophobicContact CB-CG 4.35Å; L173-F854 HydrophobicContact CB-CZ 4.37Å; L173-F854 HydrophobicContact CD1-CB 4.43Å; L173-F854 HydrophobicContact CD1-CD2 3.71Å; L173-F854 HydrophobicContact CD1-CE2 4.21Å; L173-F854 HydrophobicContact CD1-CG 4.15Å; L173-F854 HydrophobicContact CD2-CB 4.03Å; L173-F854 HydrophobicContact CD2-CG 4.15Å; L173-F854 HydrophobicContact CG-CD2 4.4Å; L173-F854 HydrophobicContact CG-CG 4.46Å; L173-R857 HydrophobicContact CD2-CB 3.69Å; L173-R857 VanDerWaalsContact CD2-CD 3.5Å; L173-R857 HydrophobicContact CD2-CG 4.2Å; L173-R857 VanDerWaalsContact O-CZ 3.23Å; L173-R857 PolarHBondContact O-NH1 2.92Å; L173-R857 VanDerWaalsContact O-NH1 3.15Å; L173-R857 PolarHBondContact O-NH2 3.02Å; L173-V859 HydrophobicContact CD2-CG2 3.82Å; L173-V859 HydrophobicContact CG-CG2 4.47Å
174	L	80.3	Confident	69.1	Low	13 Å²	13	49.9 Å²	49.9	7%	0.068	25%	0.252	C	S	.	.	H	α-helix	trans	-92.2	-26.7	-170.6	-63.7	174.9	0	0	0	113.9	A78 V81 L82 L170 F854	A78-L174 HydrophobicContact CB-CB 3.78Å; A78-L174 HydrophobicContact CB-CD1 4.17Å; V81-L174 HydrophobicContact CB-CD2 4.45Å; V81-L174 HydrophobicContact CG1-CD2 4.27Å; V81-L174 WeakPolarHBondContact CG2-O 3.27Å; L82-L174 HydrophobicContact CB-CD2 3.78Å; L82-L174 HydrophobicContact CD1-CD2 4.4Å; L170-L174 HydrophobicContact CB-CD1 4.25Å; L170-L174 WeakPolarHBondContact O-CB 3.42Å; L170-L174 WeakPolarHBondContact O-CG 3.34Å; L170-L174 PolarHBondContact O-N 3.49Å; L174-F854 HydrophobicContact CD2-CE1 4.28Å; L174-F854 HydrophobicContact CD2-CE2 4.39Å; L174-F854 HydrophobicContact CD2-CZ 3.55Å
175	L	75.9	Confident	68.6	Low	5 Å²	5	45.5 Å²	45.5	3%	0.026	24%	0.236	C	C	.	.	S	Bend	trans	-114.2	141.3	-177.2	-62.8	-179.3	0	0	0	112.2	L74 T77 A78 V171 L180 L189	L74-L175 HydrophobicContact CB-CD1 4.41Å; L74-L175 HydrophobicContact CD2-CD1 4.11Å; L74-L175 HydrophobicContact CD2-CD2 4.28Å; T77-L175 HydrophobicContact CG2-CD2 4.07Å; A78-L175 HydrophobicContact CB-CD2 4Å; V171-L175 HydrophobicContact CG1-CD1 4.29Å; V171-L175 WeakPolarHBondContact O-CB 3.27Å; V171-L175 PolarHBondContact O-N 3.05Å; L175-L180 HydrophobicContact CB-CD2 4.17Å; L175-L189 HydrophobicContact CD1-CD2 3.48Å; L175-L189 VanDerWaalsContact CD1-CD2 3.48Å; L175-L189 HydrophobicContact CG-CD2 4.34Å
176	P	67.8	Low	68.2	Low	57 Å²	57	47.9 Å²	47.9	37%	0.37	24%	0.241	S	C	.	.			trans	-60.6	140.2	170.3	-20.8	33.2	0	0	0	110.9	K178 D179 L180	P176-K178 PolarHBondContact O-N 3.3Å; P176-K178 VanDerWaalsContact O-N 3.09Å; P176-D179 HydrophobicContact CB-CB 4.45Å; P176-D179 WeakPolarHBondContact CG-OD2 3.38Å; P176-D179 PolarHBondContact O-N 3.38Å; P176-L180 PolarHBondContact O-N 2.76Å
177	T	60.2	Low	67.7	Low	96 Å²	96	50 Å²	50	59%	0.589	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-57.9	-29.3	-179.6	52	0	0	0	0	113.6	Y172 D179 L180	Y172-T177 HydrophobicContact CD2-CG2 4.43Å; Y172-T177 HydrophobicContact CE2-CG2 4.12Å; T177-D179 VanDerWaalsContact C-N 3.31Å; T177-D179 PolarHBondContact O-N 3.05Å; T177-L180 HydrophobicContact CG2-CD1 4.25Å; T177-L180 WeakPolarHBondContact O-CB 3.38Å; T177-L180 PolarHBondContact O-N 2.76Å
178	K	55.7	Low	67.3	Low	184 Å²	184	51.1 Å²	51.1	80%	0.8	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-70.4	-24.4	175.9	-62.6	-176.9	-179.1	179.6	0	113.7	P176	P176-K178 PolarHBondContact O-N 3.3Å; P176-K178 VanDerWaalsContact O-N 3.09Å
179	D	56	Low	67.1	Low	52 Å²	52	50.5 Å²	50.5	28%	0.278	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-93.8	2	179.7	-63.9	-27	0	0	0	111.8	P176 T177 C181	P176-D179 HydrophobicContact CB-CB 4.45Å; P176-D179 WeakPolarHBondContact CG-OD2 3.38Å; P176-D179 PolarHBondContact O-N 3.38Å; T177-D179 VanDerWaalsContact C-N 3.31Å; T177-D179 PolarHBondContact O-N 3.05Å; D179-C181 PolarHBondContact O-N 2.89Å; D179-C181 VanDerWaalsContact O-N 3.12Å
180	L	52	Low	67.1	Low	49 Å²	49	51.9 Å²	51.9	26%	0.257	26%	0.258	S	S	.	.			trans	-74.3	12	176.5	-64.2	174.7	0	0	0	114.1	V171 L175 P176 T177	V171-L180 HydrophobicContact CG1-CD2 3.44Å; V171-L180 VanDerWaalsContact CG1-CD2 3.44Å; L175-L180 HydrophobicContact CB-CD2 4.17Å; P176-L180 PolarHBondContact O-N 2.76Å; T177-L180 HydrophobicContact CG2-CD1 4.25Å; T177-L180 WeakPolarHBondContact O-CB 3.38Å; T177-L180 PolarHBondContact O-N 2.76Å
181	C	51.8	Low	67	Low	81 Å²	81	53.6 Å²	53.6	55%	0.547	27%	0.268	S	S	.	.			trans	-77.7	154.6	171.5	-78.9	0	0	0	0	111.7	D179	D179-C181 PolarHBondContact O-N 2.89Å; D179-C181 VanDerWaalsContact O-N 3.12Å
182	P	54.5	Low	66.9	Low	20 Å²	20	54.1 Å²	54.1	13%	0.13	27%	0.27	C	S	.	.	S	Bend		-68.2	167.9	-54.3	21.5	-33.9	0	0	0	114	E14 I184 F185	E14-P182 WeakPolarHBondContact OE1-CB 3.25Å; E14-P182 WeakPolarHBondContact OE1-CD 3.5Å; E14-P182 VanDerWaalsContact OE1-CG 3.29Å; E14-P182 WeakPolarHBondContact OE1-CG 3.47Å; P182-I184 HydrophobicContact CG-CG2 4.13Å; P182-I184 PolarHBondContact O-N 2.71Å; P182-F185 VanDerWaalsContact CD-CD2 3.43Å; P182-F185 HydrophobicContact CG-CD2 3.63Å; P182-F185 HydrophobicContact CG-CE2 3.64Å; P182-F185 PolarHBondContact O-N 3.45Å
183	H	60.4	Low	66.8	Low	127 Å²	127	50 Å²	50	59%	0.588	26%	0.257	S	S	*	.	H	α-helix	trans	-46	-35.7	-176.4	-171.4	67.9	0	0	0	114.3	F185 R186 L187	H183-F185 PolarHBondContact O-N 2.85Å; H183-R186 PolarHBondContact O-N 3.42Å; H183-L187 VanDerWaalsContact CD2-CD1 3.42Å; H183-L187 WeakPolarHBondContact CD2-CD1 3.14Å; H183-L187 WeakPolarHBondContact NE2-CD1 3.5Å; H183-L187 WeakPolarHBondContact O-CG 3.48Å; H183-L187 PolarHBondContact O-N 3.27Å
184	I	64.3	Low	66.6	Low	51 Å²	51	50 Å²	50	26%	0.262	26%	0.257	S	S	.	.	H	α-helix	trans	-61.7	-37.4	-179.4	-163.1	60.8	0	0	0	113.4	F67 P182 L187 L188	F67-I184 HydrophobicContact CE2-CG2 4.2Å; P182-I184 HydrophobicContact CG-CG2 4.13Å; P182-I184 PolarHBondContact O-N 2.71Å; I184-L187 PolarHBondContact O-N 2.87Å; I184-L188 WeakPolarHBondContact O-CB 3.39Å; I184-L188 PolarHBondContact O-N 2.75Å
185	F	65.4	Low	66.3	Low	20 Å²	20	51.3 Å²	51.3	9%	0.088	27%	0.265	C	S	.	.	H	α-helix	trans	-69.5	-39.2	178.8	-70.4	-75.1	0	0	0	111.3	F67 V71 L74 P182 H183 L189	F67-F185 HydrophobicContact CD2-CD1 4.19Å; F67-F185 AromaticContact CD2-CE1 3.28Å; F67-F185 HydrophobicContact CD2-CE1 3.28Å; F67-F185 HydrophobicContact CD2-CE2 4.33Å; F67-F185 AromaticContact CD2-CZ 3.37Å; F67-F185 HydrophobicContact CD2-CZ 3.37Å; F67-F185 AromaticContact CE2-CD1 3.69Å; F67-F185 HydrophobicContact CE2-CD1 3.69Å; F67-F185 AromaticContact CE2-CE1 3.26Å; F67-F185 HydrophobicContact CE2-CE1 3.26Å; F67-F185 HydrophobicContact CE2-CE2 4.35Å; F67-F185 HydrophobicContact CE2-CG 4.4Å; F67-F185 AromaticContact CE2-CZ 3.64Å; F67-F185 HydrophobicContact CE2-CZ 3.64Å; F67-F185 HydrophobicContact CG-CE1 4.22Å; F67-F185 HydrophobicContact CG-CZ 4.45Å; F67-F185 HydrophobicContact CZ-CD1 4.4Å; F67-F185 HydrophobicContact CZ-CE1 4.2Å; V71-F185 HydrophobicContact CG2-CD1 3.68Å; V71-F185 HydrophobicContact CG2-CE1 3.69Å; L74-F185 HydrophobicContact CD1-CB 3.68Å; L74-F185 HydrophobicContact CD1-CD1 3.95Å; L74-F185 HydrophobicContact CD1-CG 3.92Å; P182-F185 VanDerWaalsContact CD-CD2 3.43Å; P182-F185 HydrophobicContact CG-CD2 3.63Å; P182-F185 HydrophobicContact CG-CE2 3.64Å; P182-F185 PolarHBondContact O-N 3.45Å; H183-F185 PolarHBondContact O-N 2.85Å; F185-L189 VanDerWaalsContact O-CB 3.22Å; F185-L189 WeakPolarHBondContact O-CB 3.36Å; F185-L189 PolarHBondContact O-N 2.97Å
186	R	65.8	Low	66.3	Low	79 Å²	79	55 Å²	55	30%	0.298	28%	0.282	S	S	.	.	H	α-helix	trans	-62.7	-46.2	173.2	170.1	174.5	170	-177.8	-2	110.9	D168 V171 H183 R190	D168-R186 IonicContact OD1-CZ 2.72Å; D168-R186 IonicContact OD1-NE 3.88Å; D168-R186 PolarHBondContact OD1-NE 3.28Å; D168-R186 IonicContact OD1-NH2 3.89Å; D168-R186 PolarHBondContact OD1-NH2 3.46Å; D168-R186 IonicContact OD2-NH2 3.04Å; D168-R186 PolarHBondContact OD2-NH2 3.04Å; V171-R186 HydrophobicContact CG1-CG 4.09Å; H183-R186 PolarHBondContact O-N 3.42Å; R186-R190 WeakPolarHBondContact O-CB 3.46Å; R186-R190 PolarHBondContact O-N 3.45Å
187	L	69.8	Low	66.6	Low	46 Å²	46	53.7 Å²	53.7	24%	0.241	27%	0.273	C	S	.	.	H	α-helix	trans	-61.1	-45.8	178.3	-72.2	178.4	0	0	0	111.8	H183 I184 R190 D191	H183-L187 VanDerWaalsContact CD2-CD1 3.42Å; H183-L187 WeakPolarHBondContact CD2-CD1 3.14Å; H183-L187 WeakPolarHBondContact NE2-CD1 3.5Å; H183-L187 WeakPolarHBondContact O-CG 3.48Å; H183-L187 PolarHBondContact O-N 3.27Å; I184-L187 PolarHBondContact O-N 2.87Å; L187-R190 PolarHBondContact O-N 3.39Å; L187-D191 WeakPolarHBondContact O-CB 3.46Å; L187-D191 PolarHBondContact O-N 3.29Å
188	L	70.9	Confident	67.7	Low	22 Å²	22	50.6 Å²	50.6	12%	0.115	25%	0.252	C	S	.	.	H	α-helix	trans	-65.2	-47.1	179.5	-172.5	146	0	0	0	111.5	V54 W57 F67 V71 F75 I184 R190 D191 V192	V54-L188 HydrophobicContact CG1-CD1 4.1Å; V54-L188 HydrophobicContact CG2-CD1 4.11Å; V54-L188 HydrophobicContact CG2-CD2 3.81Å; V54-L188 HydrophobicContact CG2-CG 4.47Å; W57-L188 HydrophobicContact CH2-CD1 4.46Å; W57-L188 HydrophobicContact CZ2-CD1 3.8Å; F67-L188 HydrophobicContact CE1-CD1 4.07Å; F67-L188 HydrophobicContact CZ-CD1 3.87Å; V71-L188 HydrophobicContact CG1-CD2 3.99Å; V71-L188 HydrophobicContact CG2-CD2 4.37Å; F75-L188 HydrophobicContact CE2-CD2 4.47Å; I184-L188 WeakPolarHBondContact O-CB 3.39Å; I184-L188 PolarHBondContact O-N 2.75Å; L188-R190 VanDerWaalsContact C-N 3.34Å; L188-R190 PolarHBondContact O-N 3.29Å; L188-D191 PolarHBondContact O-N 2.9Å; L188-V192 HydrophobicContact CD2-CG2 4.18Å; L188-V192 HydrophobicContact CG-CG2 4.34Å; L188-V192 VanDerWaalsContact O-CB 3.3Å; L188-V192 WeakPolarHBondContact O-CB 3.41Å; L188-V192 WeakPolarHBondContact O-CG2 3.37Å; L188-V192 PolarHBondContact O-N 3.06Å
189	L	71.1	Confident	69.2	Low	4 Å²	4	41.9 Å²	41.9	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-64	-41.4	178.8	-172.9	61.6	0	0	0	111.2	F75 V171 L175 F185 L193	F75-L189 HydrophobicContact CD1-CD1 3.73Å; F75-L189 HydrophobicContact CD2-CD1 4.03Å; F75-L189 HydrophobicContact CE1-CD1 3.39Å; F75-L189 HydrophobicContact CE2-CD1 3.71Å; F75-L189 HydrophobicContact CG-CD1 4.04Å; F75-L189 HydrophobicContact CZ-CD1 3.38Å; V171-L189 HydrophobicContact CG2-CB 4.25Å; V171-L189 HydrophobicContact CG2-CD2 3.94Å; V171-L189 HydrophobicContact CG2-CG 4.01Å; L175-L189 HydrophobicContact CD1-CD2 3.48Å; L175-L189 VanDerWaalsContact CD1-CD2 3.48Å; L175-L189 HydrophobicContact CG-CD2 4.34Å; F185-L189 VanDerWaalsContact O-CB 3.22Å; F185-L189 WeakPolarHBondContact O-CB 3.36Å; F185-L189 PolarHBondContact O-N 2.97Å; L189-L193 HydrophobicContact CD1-CD1 3.61Å; L189-L193 HydrophobicContact CD1-CG 3.87Å; L189-L193 HydrophobicContact CG-CD1 3.74Å; L189-L193 HydrophobicContact CG-CG 4.33Å; L189-L193 WeakPolarHBondContact O-CB 3.44Å; L189-L193 VanDerWaalsContact O-CG 3.24Å; L189-L193 WeakPolarHBondContact O-CG 3.33Å; L189-L193 PolarHBondContact O-N 3.13Å
190	R	76.6	Confident	70.4	Confident	44 Å²	44	41.1 Å²	41.1	17%	0.166	22%	0.216	C	C	.	.	H	α-helix	trans	-58	-56.6	174.6	-177.5	-165.1	78.3	-175.2	-2.8	110.8	R164 D168 R186 L187 L188 A194	R164-R190 VanDerWaalsContact O-CD 3.3Å; R164-R190 WeakPolarHBondContact O-CD 3.45Å; R164-R190 WeakPolarHBondContact O-CG 3.37Å; D168-R190 WeakPolarHBondContact OD1-CD 3.02Å; R186-R190 WeakPolarHBondContact O-CB 3.46Å; R186-R190 PolarHBondContact O-N 3.45Å; L187-R190 PolarHBondContact O-N 3.39Å; L188-R190 VanDerWaalsContact C-N 3.34Å; L188-R190 PolarHBondContact O-N 3.29Å; R190-A194 WeakPolarHBondContact O-CB 3.32Å; R190-A194 PolarHBondContact O-N 3.49Å
191	D	76	Confident	71.9	Confident	56 Å²	56	41 Å²	41	30%	0.299	22%	0.217	S	C	.	.	H	α-helix	trans	-70.7	-36.9	-172.2	-73.2	-4.2	0	0	0	112.2	L187 L188 V195	L187-D191 WeakPolarHBondContact O-CB 3.46Å; L187-D191 PolarHBondContact O-N 3.29Å; L188-D191 PolarHBondContact O-N 2.9Å; D191-V195 WeakPolarHBondContact O-CB 3.27Å; D191-V195 PolarHBondContact O-N 2.95Å
192	V	76.3	Confident	73.7	Confident	12 Å²	12	37.2 Å²	37.2	7%	0.073	19%	0.192	C	C	.	.	I	π-helix	trans	-67.7	-51.2	175.8	174	0	0	0	0	111.2	T49 F75 L188 Q196 V197	T49-V192 HydrophobicContact CG2-CG1 3.62Å; F75-V192 HydrophobicContact CZ-CB 4.43Å; F75-V192 HydrophobicContact CZ-CG1 4.02Å; L188-V192 HydrophobicContact CD2-CG2 4.18Å; L188-V192 HydrophobicContact CG-CG2 4.34Å; L188-V192 VanDerWaalsContact O-CB 3.3Å; L188-V192 WeakPolarHBondContact O-CB 3.41Å; L188-V192 WeakPolarHBondContact O-CG2 3.37Å; L188-V192 PolarHBondContact O-N 3.06Å; V192-Q196 WeakPolarHBondContact O-CB 3.49Å; V192-Q196 PolarHBondContact O-N 2.88Å; V192-V197 PolarHBondContact O-N 3.41Å; V192-V197 VanDerWaalsContact O-N 3.08Å
193	L	72.6	Confident	75.3	Confident	33 Å²	33	39.3 Å²	39.3	17%	0.173	20%	0.202	C	C	.	.	I	π-helix	trans	-64.4	-46.9	180	-72	176.9	0	0	0	111.5	F75 L189 V197 I198	F75-L193 HydrophobicContact CE1-CD2 3.86Å; F75-L193 HydrophobicContact CE1-CG 4.21Å; L189-L193 HydrophobicContact CD1-CD1 3.61Å; L189-L193 HydrophobicContact CD1-CG 3.87Å; L189-L193 HydrophobicContact CG-CD1 3.74Å; L189-L193 HydrophobicContact CG-CG 4.33Å; L189-L193 WeakPolarHBondContact O-CB 3.44Å; L189-L193 VanDerWaalsContact O-CG 3.24Å; L189-L193 WeakPolarHBondContact O-CG 3.33Å; L189-L193 PolarHBondContact O-N 3.13Å; L193-V197 WeakPolarHBondContact O-CB 3.26Å; L193-I198 VanDerWaalsContact O-CG1 3.3Å; L193-I198 WeakPolarHBondContact O-CG1 3.43Å; L193-I198 PolarHBondContact O-N 3.21Å
194	A	76.2	Confident	76.5	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.19	C	C	.	.	I	π-helix	trans	-71	-54.7	-173.3	0	0	0	0	0	112.4	L163 R190 I198 G199	L163-A194 VanDerWaalsContact C-CB 3.5Å; L163-A194 HydrophobicContact CB-CB 4.02Å; L163-A194 WeakPolarHBondContact O-CB 3.27Å; R190-A194 WeakPolarHBondContact O-CB 3.32Å; R190-A194 PolarHBondContact O-N 3.49Å; A194-I198 WeakPolarHBondContact O-CB 3.16Å; A194-G199 PolarHBondContact O-N 3.12Å
195	V	73.4	Confident	77.6	Confident	39 Å²	39	37.3 Å²	37.3	24%	0.236	20%	0.195	C	C	.	.	I	π-helix	trans	-89.6	-45.3	-168.3	-175.4	0	0	0	0	111.2	D191 G199 A200	D191-V195 WeakPolarHBondContact O-CB 3.27Å; D191-V195 PolarHBondContact O-N 2.95Å; V195-G199 WeakPolarHBondContact O-CA 3.4Å; V195-A200 PolarHBondContact O-N 3.25Å
196	Q	74.6	Confident	79	Confident	84 Å²	84	36.4 Å²	36.4	39%	0.393	19%	0.191	S	C	.	.	I	π-helix	trans	-85.9	-30.6	-172	-57.3	-61.4	-29.4	0	0	113.1	Y53 V192 A200	Y53-Q196 HydrophobicContact CD1-CG 4.29Å; Y53-Q196 HydrophobicContact CE1-CB 4.15Å; Y53-Q196 HydrophobicContact CE1-CG 4.13Å; V192-Q196 WeakPolarHBondContact O-CB 3.49Å; V192-Q196 PolarHBondContact O-N 2.88Å; Q196-A200 WeakPolarHBondContact O-CB 3.46Å
197	V	76.1	Confident	80.2	Confident	28 Å²	28	35 Å²	35	17%	0.17	19%	0.189	C	C	.	.	I	π-helix	trans	-97.1	-63.7	178.9	179.8	0	0	0	0	111	V192 L193 T201 F771	V192-V197 PolarHBondContact O-N 3.41Å; V192-V197 VanDerWaalsContact O-N 3.08Å; L193-V197 WeakPolarHBondContact O-CB 3.26Å; V197-T201 WeakPolarHBondContact O-CB 3.43Å; V197-T201 PolarHBondContact O-N 3.47Å; V197-T201 PolarHBondContact O-OG1 2.91Å; V197-F771 HydrophobicContact CG1-CZ 4.12Å
198	I	83.3	Confident	81.4	Confident	31 Å²	31	33.9 Å²	33.9	16%	0.159	19%	0.185	C	C	.	.	I	π-helix	trans	-66.9	-52.9	-177	-63.6	168.3	0	0	0	109.7	L163 L166 L170 L193 A194 A200 T201 V202 L846	L163-I198 HydrophobicContact CD2-CB 4.19Å; L163-I198 HydrophobicContact CD2-CG2 3.64Å; L166-I198 HydrophobicContact CD2-CD1 4.28Å; L170-I198 HydrophobicContact CD1-CD1 3.51Å; L193-I198 VanDerWaalsContact O-CG1 3.3Å; L193-I198 WeakPolarHBondContact O-CG1 3.43Å; L193-I198 PolarHBondContact O-N 3.21Å; A194-I198 WeakPolarHBondContact O-CB 3.16Å; I198-A200 VanDerWaalsContact C-N 3.34Å; I198-A200 PolarHBondContact O-N 2.83Å; I198-T201 WeakPolarHBondContact O-CB 3.31Å; I198-T201 PolarHBondContact O-N 3.18Å; I198-T201 VanDerWaalsContact O-N 3.07Å; I198-V202 HydrophobicContact CG2-CG2 4.06Å; I198-V202 VanDerWaalsContact O-CG2 3.28Å; I198-V202 WeakPolarHBondContact O-CG2 3.5Å; I198-V202 PolarHBondContact O-N 2.99Å; I198-L846 HydrophobicContact CG2-CD2 3.94Å
199	G	85.9	Confident	82.4	Confident	2 Å²	2	34.1 Å²	34.1	2%	0.021	19%	0.186	C	C	.	.	I	π-helix	trans	-57.1	-42	-179.4	0	0	0	0	0	113.9	A194 V195 V202 N203	A194-G199 PolarHBondContact O-N 3.12Å; V195-G199 WeakPolarHBondContact O-CA 3.4Å; G199-V202 PolarHBondContact O-N 2.93Å; G199-N203 VanDerWaalsContact O-CG 3.23Å; G199-N203 PolarHBondContact O-N 3.45Å; G199-N203 VanDerWaalsContact O-N 3.09Å; G199-N203 PolarHBondContact O-ND2 3.41Å
200	A	82	Confident	83.3	Confident	36 Å²	36	38.1 Å²	38.1	30%	0.298	20%	0.202	S	C	.	.	H	α-helix	trans	-66.1	-40.6	175.4	0	0	0	0	0	112.4	V195 Q196 I198 N203 L204	V195-A200 PolarHBondContact O-N 3.25Å; Q196-A200 WeakPolarHBondContact O-CB 3.46Å; I198-A200 VanDerWaalsContact C-N 3.34Å; I198-A200 PolarHBondContact O-N 2.83Å; A200-N203 PolarHBondContact O-N 3.16Å; A200-L204 PolarHBondContact O-N 3.21Å
201	T	83.1	Confident	84	Confident	45 Å²	45	37.4 Å²	37.4	28%	0.276	20%	0.201	S	C	.	.	H	α-helix	trans	-64.4	-44.6	176.9	-55.3	0	0	0	0	111.1	V197 I198 N203 L204 I205	V197-T201 WeakPolarHBondContact O-CB 3.43Å; V197-T201 PolarHBondContact O-N 3.47Å; V197-T201 PolarHBondContact O-OG1 2.91Å; I198-T201 WeakPolarHBondContact O-CB 3.31Å; I198-T201 PolarHBondContact O-N 3.18Å; I198-T201 VanDerWaalsContact O-N 3.07Å; T201-N203 PolarHBondContact O-N 3.44Å; T201-L204 WeakPolarHBondContact O-CB 3.38Å; T201-L204 PolarHBondContact O-N 3.33Å; T201-L204 VanDerWaalsContact O-N 3.16Å; T201-I205 HydrophobicContact CG2-CG2 4.46Å; T201-I205 WeakPolarHBondContact O-CG1 3.3Å; T201-I205 PolarHBondContact O-N 3.21Å
202	V	90.3	Very high	84.8	Confident	3 Å²	3	34.8 Å²	34.8	2%	0.018	19%	0.187	C	C	.	.	H	α-helix	trans	-58.9	-46.2	177.4	176	0	0	0	0	110.5	I198 G199 L204 I205 C206 R839 Y843	I198-V202 HydrophobicContact CG2-CG2 4.06Å; I198-V202 VanDerWaalsContact O-CG2 3.28Å; I198-V202 WeakPolarHBondContact O-CG2 3.5Å; I198-V202 PolarHBondContact O-N 2.99Å; G199-V202 PolarHBondContact O-N 2.93Å; V202-L204 VanDerWaalsContact C-N 3.27Å; V202-L204 PolarHBondContact O-N 2.95Å; V202-I205 PolarHBondContact O-N 2.91Å; V202-C206 VanDerWaalsContact O-CB 3.26Å; V202-C206 WeakPolarHBondContact O-CB 3.44Å; V202-C206 PolarHBondContact O-N 3.27Å; V202-C206 PolarHBondContact O-SG 3Å; V202-R839 HydrophobicContact CG1-CG 3.97Å; V202-Y843 HydrophobicContact CG1-CE2 3.87Å; V202-Y843 HydrophobicContact CG2-CE1 4.16Å
203	N	88.1	Confident	85.4	Confident	64 Å²	64	38.5 Å²	38.5	34%	0.342	20%	0.203	S	C	.	.	H	α-helix	trans	-57.4	-40.4	176.8	-67.6	-22	0	0	0	112.5	G199 A200 T201 D207 R839	G199-N203 VanDerWaalsContact O-CG 3.23Å; G199-N203 PolarHBondContact O-N 3.45Å; G199-N203 VanDerWaalsContact O-N 3.09Å; G199-N203 PolarHBondContact O-ND2 3.41Å; A200-N203 PolarHBondContact O-N 3.16Å; T201-N203 PolarHBondContact O-N 3.44Å; N203-D207 PolarHBondContact O-N 3.05Å; N203-R839 PolarHBondContact OD1-NH1 3.34Å; N203-R839 PolarHBondContact OD1-NH2 3.49Å
204	L	84.1	Confident	86.1	Confident	67 Å²	67	39.1 Å²	39.1	35%	0.351	21%	0.208	S	C	.	.	H	α-helix	trans	-67	-49.4	178.9	-177.5	66.3	0	0	0	111.7	A200 T201 V202 C206 D207 Y210	A200-L204 PolarHBondContact O-N 3.21Å; T201-L204 WeakPolarHBondContact O-CB 3.38Å; T201-L204 PolarHBondContact O-N 3.33Å; T201-L204 VanDerWaalsContact O-N 3.16Å; V202-L204 VanDerWaalsContact C-N 3.27Å; V202-L204 PolarHBondContact O-N 2.95Å; L204-C206 VanDerWaalsContact C-N 3.34Å; L204-C206 PolarHBondContact O-N 3.37Å; L204-D207 PolarHBondContact O-N 3.28Å; L204-Y210 HydrophobicContact CD1-CD2 3.45Å; L204-Y210 VanDerWaalsContact CD1-CD2 3.45Å; L204-Y210 HydrophobicContact CD1-CE2 3.71Å; L204-Y210 HydrophobicContact CD1-CG 4.02Å; L204-Y210 HydrophobicContact CD2-CD2 4.48Å; L204-Y210 HydrophobicContact CD2-CE2 3.91Å; L204-Y210 HydrophobicContact CG-CD1 4.4Å; L204-Y210 HydrophobicContact CG-CD2 3.8Å; L204-Y210 HydrophobicContact CG-CE1 4.33Å; L204-Y210 HydrophobicContact CG-CE2 3.71Å; L204-Y210 HydrophobicContact CG-CG 4.14Å; L204-Y210 VanDerWaalsContact O-CB 3.25Å; L204-Y210 WeakPolarHBondContact O-CB 3.21Å; L204-Y210 VanDerWaalsContact O-CD1 3.24Å; L204-Y210 WeakPolarHBondContact O-CD1 3.4Å; L204-Y210 VanDerWaalsContact O-CG 3.23Å
205	I	87.6	Confident	86.7	Confident	68 Å²	68	40.5 Å²	40.5	35%	0.349	22%	0.217	S	C	.	.	H	α-helix	trans	-78	-19.1	-172.6	66.5	173.8	0	0	0	113.7	T201 V202 Y210 I211 C842	T201-I205 HydrophobicContact CG2-CG2 4.46Å; T201-I205 WeakPolarHBondContact O-CG1 3.3Å; T201-I205 PolarHBondContact O-N 3.21Å; V202-I205 PolarHBondContact O-N 2.91Å; I205-Y210 HydrophobicContact CG2-CE1 4.24Å; I205-I211 WeakPolarHBondContact O-CG1 3.36Å; I205-C842 HydrophobicContact CD1-CB 4.26Å; I205-C842 WeakPolarHBondContact CD1-SG 3.24Å
206	C	94.7	Very high	87.2	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.007	21%	0.211	C	C	.	.	H	α-helix	trans	-89.5	-14.1	178.2	-58.7	0	0	0	0	112.8	V202 L204 P208 E835 N838 R839	V202-C206 VanDerWaalsContact O-CB 3.26Å; V202-C206 WeakPolarHBondContact O-CB 3.44Å; V202-C206 PolarHBondContact O-N 3.27Å; V202-C206 PolarHBondContact O-SG 3Å; L204-C206 VanDerWaalsContact C-N 3.34Å; L204-C206 PolarHBondContact O-N 3.37Å; C206-P208 WeakPolarHBondContact O-CD 3.36Å; C206-E835 HydrophobicContact CB-CG 4.19Å; C206-N838 HydrophobicContact CB-CB 3.91Å; C206-N838 PolarHBondContact O-ND2 2.91Å; C206-R839 HydrophobicContact CB-CB 4.35Å; C206-R839 WeakPolarHBondContact SG-CA 3.31Å
207	D	92	Very high	87.5	Confident	50 Å²	50	39.1 Å²	39.1	27%	0.267	22%	0.216	S	C	.	.			trans	-65.6	123.8	177.3	178.5	-88.5	0	0	0	110.8	N203 L204 D209 Y210 I211	N203-D207 PolarHBondContact O-N 3.05Å; L204-D207 PolarHBondContact O-N 3.28Å; D207-D209 VanDerWaalsContact C-N 3.33Å; D207-D209 PolarHBondContact O-N 3.2Å; D207-D209 WeakPolarHBondContact OD1-CA 3.3Å; D207-D209 WeakPolarHBondContact OD1-CB 3.37Å; D207-D209 PolarHBondContact OD1-N 2.94Å; D207-Y210 WeakPolarHBondContact O-CB 3.46Å; D207-Y210 PolarHBondContact O-N 3.43Å; D207-Y210 PolarHBondContact OD1-N 3.26Å; D207-I211 WeakPolarHBondContact O-CG1 3.47Å; D207-I211 PolarHBondContact O-N 3.32Å
208	P	93.8	Very high	87.5	Confident	22 Å²	22	41.2 Å²	41.2	14%	0.143	23%	0.226	C	C	.	.	H	α-helix	trans	-60	-34.6	-179.2	-28.8	36.8	0	0	0	115	C206 I211 C212 Q833	C206-P208 WeakPolarHBondContact O-CD 3.36Å; P208-I211 PolarHBondContact O-N 3.43Å; P208-C212 WeakPolarHBondContact O-CB 3.34Å; P208-C212 PolarHBondContact O-N 3.18Å; P208-C212 PolarHBondContact O-SG 2.95Å; P208-Q833 WeakPolarHBondContact CG-O 3.46Å
209	D	92.1	Very high	87.4	Confident	27 Å²	27	40.6 Å²	40.6	14%	0.144	22%	0.223	C	C	.	.	H	α-helix	trans	-70.5	-39.7	178	179.5	52	0	0	0	110.3	D207 I211 C212 H213 R788 K793	D207-D209 VanDerWaalsContact C-N 3.33Å; D207-D209 PolarHBondContact O-N 3.2Å; D207-D209 WeakPolarHBondContact OD1-CA 3.3Å; D207-D209 WeakPolarHBondContact OD1-CB 3.37Å; D207-D209 PolarHBondContact OD1-N 2.94Å; D209-I211 VanDerWaalsContact C-N 3.35Å; D209-I211 PolarHBondContact O-N 3.46Å; D209-C212 PolarHBondContact O-N 3.45Å; D209-H213 VanDerWaalsContact O-CB 3.27Å; D209-H213 WeakPolarHBondContact O-CB 3.16Å; D209-H213 PolarHBondContact O-N 3.39Å; D209-R788 IonicContact OD1-NH1 2.84Å; D209-R788 PolarHBondContact OD1-NH1 2.82Å; D209-R788 WeakPolarHBondContact OD2-CD 3.48Å; D209-R788 IonicContact OD2-NH1 3.29Å; D209-K793 HydrophobicContact CB-CD 4.05Å; D209-K793 HydrophobicContact CB-CG 4.25Å
210	Y	89.8	Confident	86.9	Confident	89 Å²	89	47.3 Å²	47.3	35%	0.349	25%	0.251	S	S	.	.	H	α-helix	trans	-60	-44.2	172	-175.8	-93.9	0	0	0	111.7	L204 I205 D207 T214	L204-Y210 HydrophobicContact CD1-CD2 3.45Å; L204-Y210 VanDerWaalsContact CD1-CD2 3.45Å; L204-Y210 HydrophobicContact CD1-CE2 3.71Å; L204-Y210 HydrophobicContact CD1-CG 4.02Å; L204-Y210 HydrophobicContact CD2-CD2 4.48Å; L204-Y210 HydrophobicContact CD2-CE2 3.91Å; L204-Y210 HydrophobicContact CG-CD1 4.4Å; L204-Y210 HydrophobicContact CG-CD2 3.8Å; L204-Y210 HydrophobicContact CG-CE1 4.33Å; L204-Y210 HydrophobicContact CG-CE2 3.71Å; L204-Y210 HydrophobicContact CG-CG 4.14Å; L204-Y210 VanDerWaalsContact O-CB 3.25Å; L204-Y210 WeakPolarHBondContact O-CB 3.21Å; L204-Y210 VanDerWaalsContact O-CD1 3.24Å; L204-Y210 WeakPolarHBondContact O-CD1 3.4Å; L204-Y210 VanDerWaalsContact O-CG 3.23Å; I205-Y210 HydrophobicContact CG2-CE1 4.24Å; D207-Y210 WeakPolarHBondContact O-CB 3.46Å; D207-Y210 PolarHBondContact O-N 3.43Å; D207-Y210 PolarHBondContact OD1-N 3.26Å; Y210-T214 VanDerWaalsContact O-CB 3.28Å; Y210-T214 WeakPolarHBondContact O-CB 3.31Å; Y210-T214 PolarHBondContact O-N 3.05Å; Y210-T214 PolarHBondContact O-OG1 2.84Å
211	I	92.5	Very high	86.2	Confident	28 Å²	28	46.8 Å²	46.8	14%	0.144	25%	0.247	C	C	.	.	H	α-helix	trans	-62.1	-49.4	175.2	-66.8	170	0	0	0	110.4	I205 D207 P208 D209 H213 T214 V215 L832 N838	I205-I211 WeakPolarHBondContact O-CG1 3.36Å; D207-I211 WeakPolarHBondContact O-CG1 3.47Å; D207-I211 PolarHBondContact O-N 3.32Å; P208-I211 PolarHBondContact O-N 3.43Å; D209-I211 VanDerWaalsContact C-N 3.35Å; D209-I211 PolarHBondContact O-N 3.46Å; I211-H213 VanDerWaalsContact C-N 3.35Å; I211-H213 PolarHBondContact O-N 3.2Å; I211-T214 WeakPolarHBondContact O-CB 3.24Å; I211-T214 PolarHBondContact O-N 3.15Å; I211-T214 VanDerWaalsContact O-N 3.15Å; I211-V215 HydrophobicContact CG2-CG2 4.3Å; I211-V215 WeakPolarHBondContact O-CG2 3.33Å; I211-V215 PolarHBondContact O-N 2.88Å; I211-L832 HydrophobicContact CG2-CB 4.5Å; I211-N838 HydrophobicContact CD1-CB 4.28Å; I211-N838 VanDerWaalsContact CD1-ND2 3.25Å; I211-N838 WeakPolarHBondContact CD1-ND2 3.26Å
212	C	93	Very high	85.7	Confident	2 Å²	2	45 Å²	45	1%	0.014	24%	0.236	C	C	.	.	H	α-helix	trans	-60.6	-43.8	179.8	-69.9	0	0	0	0	111.9	P208 D209 T214 V215 A216 T796 A800	P208-C212 WeakPolarHBondContact O-CB 3.34Å; P208-C212 PolarHBondContact O-N 3.18Å; P208-C212 PolarHBondContact O-SG 2.95Å; D209-C212 PolarHBondContact O-N 3.45Å; C212-T214 VanDerWaalsContact C-N 3.33Å; C212-T214 PolarHBondContact O-N 3.46Å; C212-V215 PolarHBondContact O-N 3.29Å; C212-A216 WeakPolarHBondContact O-CB 3.5Å; C212-A216 PolarHBondContact O-N 3.06Å; C212-T796 HydrophobicContact CB-CG2 4.22Å; C212-A800 HydrophobicContact CB-CB 4.19Å
213	H	89	Confident	84.9	Confident	90 Å²	90	48.8 Å²	48.8	42%	0.417	26%	0.261	S	S	.	.	H	α-helix	trans	-63.1	-40.9	175.6	-177.1	70.9	0	0	0	111.7	D209 I211 A216 T217 T796	D209-H213 VanDerWaalsContact O-CB 3.27Å; D209-H213 WeakPolarHBondContact O-CB 3.16Å; D209-H213 PolarHBondContact O-N 3.39Å; I211-H213 VanDerWaalsContact C-N 3.35Å; I211-H213 PolarHBondContact O-N 3.2Å; H213-A216 PolarHBondContact O-N 2.99Å; H213-T217 WeakPolarHBondContact O-CB 3.34Å; H213-T217 PolarHBondContact O-N 2.94Å; H213-T217 PolarHBondContact O-OG1 3.39Å; H213-T796 HydrophobicContact CB-CG2 4.42Å
214	T	86.9	Confident	84.5	Confident	45 Å²	45	49.9 Å²	49.9	28%	0.276	27%	0.266	S	S	.	.	H	α-helix	trans	-63.2	-48.7	176.1	-61	0	0	0	0	110.7	Y210 I211 C212 A216 T217 L218	Y210-T214 VanDerWaalsContact O-CB 3.28Å; Y210-T214 WeakPolarHBondContact O-CB 3.31Å; Y210-T214 PolarHBondContact O-N 3.05Å; Y210-T214 PolarHBondContact O-OG1 2.84Å; I211-T214 WeakPolarHBondContact O-CB 3.24Å; I211-T214 PolarHBondContact O-N 3.15Å; I211-T214 VanDerWaalsContact O-N 3.15Å; C212-T214 VanDerWaalsContact C-N 3.33Å; C212-T214 PolarHBondContact O-N 3.46Å; T214-A216 VanDerWaalsContact C-N 3.35Å; T214-A216 PolarHBondContact O-N 3.22Å; T214-T217 PolarHBondContact O-N 2.99Å; T214-L218 HydrophobicContact CG2-CD1 3.83Å; T214-L218 HydrophobicContact CG2-CG 4.2Å; T214-L218 WeakPolarHBondContact O-CB 3.45Å; T214-L218 VanDerWaalsContact O-CG 3.23Å; T214-L218 WeakPolarHBondContact O-CG 3.22Å; T214-L218 PolarHBondContact O-N 2.99Å
215	V	87.5	Confident	84.4	Confident	30 Å²	30	49.5 Å²	49.5	18%	0.182	26%	0.262	C	S	.	.	H	α-helix	trans	-57.7	-47.9	175.5	171.1	0	0	0	0	110.6	I211 C212 T217 L218 L219 A800	I211-V215 HydrophobicContact CG2-CG2 4.3Å; I211-V215 WeakPolarHBondContact O-CG2 3.33Å; I211-V215 PolarHBondContact O-N 2.88Å; C212-V215 PolarHBondContact O-N 3.29Å; V215-T217 VanDerWaalsContact C-N 3.27Å; V215-T217 PolarHBondContact O-N 3.28Å; V215-L218 PolarHBondContact O-N 3.49Å; V215-L219 HydrophobicContact CG1-CD1 3.77Å; V215-L219 HydrophobicContact CG1-CG 4.29Å; V215-L219 VanDerWaalsContact O-CB 3.31Å; V215-L219 WeakPolarHBondContact O-CB 3.48Å; V215-L219 WeakPolarHBondContact O-CG 3.22Å; V215-L219 PolarHBondContact O-N 3.37Å; V215-A800 HydrophobicContact CB-CB 4.21Å; V215-A800 HydrophobicContact CG1-CB 3.99Å
216	A	85.2	Confident	84.3	Confident	15 Å²	15	54 Å²	54	12%	0.124	28%	0.276	C	S	.	.	H	α-helix	trans	-62.4	-35.9	180	0	0	0	0	0	112.8	C212 H213 T214 F220 T796 V799 A800 Q803	C212-A216 WeakPolarHBondContact O-CB 3.5Å; C212-A216 PolarHBondContact O-N 3.06Å; H213-A216 PolarHBondContact O-N 2.99Å; T214-A216 VanDerWaalsContact C-N 3.35Å; T214-A216 PolarHBondContact O-N 3.22Å; A216-F220 WeakPolarHBondContact O-CA 3.45Å; A216-F220 WeakPolarHBondContact O-CB 3.4Å; A216-F220 PolarHBondContact O-N 3.39Å; A216-T796 HydrophobicContact CB-CG2 4.43Å; A216-V799 HydrophobicContact CB-CG1 4.39Å; A216-A800 HydrophobicContact CB-CB 4.48Å; A216-Q803 VanDerWaalsContact CA-OE1 3.26Å
217	T	79.9	Confident	83.9	Confident	78 Å²	78	57.4 Å²	57.4	48%	0.479	29%	0.291	S	S	.	.	H	α-helix	trans	-71.3	-45.7	176.4	-59.1	0	0	0	0	111.5	H213 T214 V215 L219 F220	H213-T217 WeakPolarHBondContact O-CB 3.34Å; H213-T217 PolarHBondContact O-N 2.94Å; H213-T217 PolarHBondContact O-OG1 3.39Å; T214-T217 PolarHBondContact O-N 2.99Å; V215-T217 VanDerWaalsContact C-N 3.27Å; V215-T217 PolarHBondContact O-N 3.28Å; T217-L219 VanDerWaalsContact C-N 3.34Å; T217-L219 PolarHBondContact O-N 3.46Å; T217-F220 WeakPolarHBondContact O-CB 3.3Å; T217-F220 PolarHBondContact O-N 3.39Å
218	L	77.2	Confident	83.8	Confident	73 Å²	73	55.5 Å²	55.5	38%	0.382	28%	0.281	S	S	.	.	H	α-helix	trans	-64.9	-38.6	178.4	-70.4	178.2	0	0	0	112	T214 V215 L628	T214-L218 HydrophobicContact CG2-CD1 3.83Å; T214-L218 HydrophobicContact CG2-CG 4.2Å; T214-L218 WeakPolarHBondContact O-CB 3.45Å; T214-L218 VanDerWaalsContact O-CG 3.23Å; T214-L218 WeakPolarHBondContact O-CG 3.22Å; T214-L218 PolarHBondContact O-N 2.99Å; V215-L218 PolarHBondContact O-N 3.49Å; L218-L628 HydrophobicContact CD2-CD2 3.24Å; L218-L628 HydrophobicContact CD2-CG 4.29Å
219	L	80	Confident	83.7	Confident	18 Å²	18	57.2 Å²	57.2	9%	0.094	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	10.8	-179.7	-57	-175	0	0	0	112.9	V215 T217 A221 V222 Q803 L807	V215-L219 HydrophobicContact CG1-CD1 3.77Å; V215-L219 HydrophobicContact CG1-CG 4.29Å; V215-L219 VanDerWaalsContact O-CB 3.31Å; V215-L219 WeakPolarHBondContact O-CB 3.48Å; V215-L219 WeakPolarHBondContact O-CG 3.22Å; V215-L219 PolarHBondContact O-N 3.37Å; T217-L219 VanDerWaalsContact C-N 3.34Å; T217-L219 PolarHBondContact O-N 3.46Å; L219-A221 PolarHBondContact O-N 3.3Å; L219-V222 HydrophobicContact CB-CB 4.49Å; L219-V222 HydrophobicContact CB-CG2 4.14Å; L219-V222 HydrophobicContact CD2-CG2 4.14Å; L219-V222 WeakPolarHBondContact O-CB 3.47Å; L219-V222 PolarHBondContact O-N 3.47Å; L219-Q803 HydrophobicContact CB-CB 3.99Å; L219-Q803 HydrophobicContact CD1-CB 4.09Å; L219-Q803 PolarHBondContact O-NE2 2.75Å; L219-L807 HydrophobicContact CD2-CD1 4.49Å
220	F	76.5	Confident	83.6	Confident	142 Å²	142	57.3 Å²	57.3	62%	0.623	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-28.6	-179.9	178.9	-97.6	0	0	0	112.9	A216 T217 R558	A216-F220 WeakPolarHBondContact O-CA 3.45Å; A216-F220 WeakPolarHBondContact O-CB 3.4Å; A216-F220 PolarHBondContact O-N 3.39Å; T217-F220 WeakPolarHBondContact O-CB 3.3Å; T217-F220 PolarHBondContact O-N 3.39Å; F220-R558 PolarHBondContact O-NH2 2.68Å
221	A	67.9	Low	83.6	Confident	26 Å²	26	55 Å²	55	22%	0.215	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-7.8	176.3	0	0	0	0	0	115.3	L219 P223 R558 V629	L219-A221 PolarHBondContact O-N 3.3Å; A221-P223 WeakPolarHBondContact O-CD 3.25Å; A221-R558 VanDerWaalsContact C-NH1 3.27Å; A221-R558 VanDerWaalsContact CA-CZ 3.48Å; A221-R558 PolarHBondContact O-NH1 3.05Å; A221-R558 PolarHBondContact O-NH2 3.42Å; A221-V629 HydrophobicContact CB-CG1 3.29Å
222	V	72.3	Confident	83.5	Confident	6 Å²	6	53.8 Å²	53.8	4%	0.036	28%	0.276	C	S	.	.	S	Bend	trans	-78.4	120.8	171	-177.3	0	0	0	0	107.7	L219 L224 R558 L807	L219-V222 HydrophobicContact CB-CB 4.49Å; L219-V222 HydrophobicContact CB-CG2 4.14Å; L219-V222 HydrophobicContact CD2-CG2 4.14Å; L219-V222 WeakPolarHBondContact O-CB 3.47Å; L219-V222 PolarHBondContact O-N 3.47Å; V222-L224 PolarHBondContact O-N 2.86Å; V222-R558 PolarHBondContact O-NH2 3.22Å; V222-L807 HydrophobicContact CG2-CD1 4.08Å
223	P	73.2	Confident	83.4	Confident	83 Å²	83	53.7 Å²	53.7	54%	0.539	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-66.9	130.1	175.6	28.4	-32.3	0	0	0	109.5	A221 K225	A221-P223 WeakPolarHBondContact O-CD 3.25Å; P223-K225 PolarHBondContact O-N 2.89Å
224	L	78.9	Confident	83.3	Confident	88 Å²	88	53.4 Å²	53.4	46%	0.461	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-67.7	121.7	172.3	-75.2	166.1	0	0	0	109.1	V222 T802 Q803	V222-L224 PolarHBondContact O-N 2.86Å; L224-T802 HydrophobicContact CD2-CG2 3.46Å; L224-T802 VanDerWaalsContact CD2-CG2 3.46Å; L224-Q803 HydrophobicContact CD2-CB 4.42Å; L224-Q803 HydrophobicContact CD2-CG 3.46Å; L224-Q803 VanDerWaalsContact CD2-CG 3.46Å; L224-Q803 HydrophobicContact CG-CG 4.01Å
225	K	83	Confident	83.2	Confident	58 Å²	58	53.2 Å²	53.2	25%	0.252	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-85.5	136.7	172.6	-56.1	-173.1	-167.1	179.6	0	109.4	P223 E227 D228 F229 S806 D810	P223-K225 PolarHBondContact O-N 2.89Å; K225-E227 VanDerWaalsContact C-N 3.29Å; K225-E227 PolarHBondContact O-N 2.76Å; K225-D228 HydrophobicContact CB-CB 4.21Å; K225-D228 PolarHBondContact O-N 3.16Å; K225-F229 PolarHBondContact O-N 2.92Å; K225-F229 VanDerWaalsContact O-N 3.08Å; K225-S806 PolarHBondContact N-OG 3.26Å; K225-D810 IonicContact NZ-OD1 2.73Å; K225-D810 PolarHBondContact NZ-OD1 3.02Å; K225-D810 IonicContact NZ-OD2 3.76Å; K225-D810 PolarHBondContact NZ-OD2 2.89Å
226	Y	85.1	Confident	83.2	Confident	163 Å²	163	51.8 Å²	51.8	64%	0.639	27%	0.268	S	S	*	.	H	α-helix	trans	-63.1	-36.6	179.7	78.7	-84.1	0	0	0	111.9	F229 I230	Y226-F229 WeakPolarHBondContact O-CB 3.28Å; Y226-F229 PolarHBondContact O-N 3.36Å; Y226-I230 HydrophobicContact CD2-CD1 4.03Å; Y226-I230 WeakPolarHBondContact O-CG1 3.44Å; Y226-I230 PolarHBondContact O-N 2.88Å
227	E	85.9	Confident	83.1	Confident	73 Å²	73	56.8 Å²	56.8	34%	0.341	29%	0.293	S	S	.	.	H	α-helix	trans	-59.7	-50	175.7	-61.9	-180	-165.9	0	0	110.7	K225 F229 I230 T231 K461	K225-E227 VanDerWaalsContact C-N 3.29Å; K225-E227 PolarHBondContact O-N 2.76Å; E227-F229 VanDerWaalsContact C-N 3.27Å; E227-F229 PolarHBondContact O-N 3.25Å; E227-I230 PolarHBondContact O-N 2.9Å; E227-I230 VanDerWaalsContact O-N 3.16Å; E227-T231 PolarHBondContact O-N 3.34Å; E227-T231 PolarHBondContact O-OG1 3.16Å; E227-T231 VanDerWaalsContact O-OG1 3.05Å; E227-K461 IonicContact OE1-NZ 3.36Å; E227-K461 IonicContact OE2-NZ 4Å; E227-K461 PolarHBondContact OE2-NZ 3.39Å
228	D	90	Very high	83.5	Confident	10 Å²	10	55.2 Å²	55.2	5%	0.053	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-35.1	179.3	-67.8	-27.1	0	0	0	112.2	K225 T231 V232 T802 L805 S806 K813	K225-D228 HydrophobicContact CB-CB 4.21Å; K225-D228 PolarHBondContact O-N 3.16Å; D228-T231 PolarHBondContact O-N 2.98Å; D228-V232 VanDerWaalsContact O-CG2 3.31Å; D228-V232 WeakPolarHBondContact O-CG2 3.47Å; D228-V232 PolarHBondContact O-N 3.08Å; D228-T802 HydrophobicContact CB-CG2 4.08Å; D228-L805 HydrophobicContact CB-CD2 4.01Å; D228-L805 HydrophobicContact CB-CG 4.23Å; D228-S806 VanDerWaalsContact OD2-CA 3.24Å; D228-S806 WeakPolarHBondContact OD2-CA 3.49Å; D228-S806 PolarHBondContact OD2-OG 3.15Å; D228-S806 VanDerWaalsContact OD2-OG 3.11Å; D228-K813 IonicContact OD1-NZ 3.8Å; D228-K813 PolarHBondContact OD1-NZ 2.85Å; D228-K813 IonicContact OD2-NZ 3.79Å; D228-K813 PolarHBondContact OD2-NZ 2.85Å
229	F	91.7	Very high	84.1	Confident	57 Å²	57	53.7 Å²	53.7	25%	0.25	28%	0.279	C	S	.	.	H	α-helix	trans	-65.1	-45	175.6	-177.7	-115.6	0	0	0	111.3	K225 Y226 E227 V232 L233 T245 L279 V798 T802	K225-F229 PolarHBondContact O-N 2.92Å; K225-F229 VanDerWaalsContact O-N 3.08Å; Y226-F229 WeakPolarHBondContact O-CB 3.28Å; Y226-F229 PolarHBondContact O-N 3.36Å; E227-F229 VanDerWaalsContact C-N 3.27Å; E227-F229 PolarHBondContact O-N 3.25Å; F229-V232 PolarHBondContact O-N 3.32Å; F229-L233 HydrophobicContact CD1-CD1 4.03Å; F229-L233 HydrophobicContact CE1-CD1 3.57Å; F229-L233 HydrophobicContact CE1-CG 4.43Å; F229-L233 HydrophobicContact CE2-CD1 4.36Å; F229-L233 HydrophobicContact CE2-CG 4.44Å; F229-L233 HydrophobicContact CZ-CD1 3.75Å; F229-L233 HydrophobicContact CZ-CD2 4.48Å; F229-L233 HydrophobicContact CZ-CG 4.3Å; F229-L233 WeakPolarHBondContact O-CG 3.49Å; F229-L233 PolarHBondContact O-N 3.31Å; F229-T245 HydrophobicContact CZ-CG2 3.96Å; F229-L279 HydrophobicContact CE1-CD1 4.27Å; F229-L279 HydrophobicContact CE1-CD2 4.4Å; F229-V798 HydrophobicContact CD2-CG1 4.17Å; F229-V798 HydrophobicContact CE2-CG1 3.63Å; F229-T802 HydrophobicContact CB-CG2 3.9Å; F229-T802 HydrophobicContact CD2-CG2 4.32Å
230	I	90.5	Very high	84.6	Confident	30 Å²	30	56.4 Å²	56.4	15%	0.154	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-47.9	175.4	-67.8	166.7	0	0	0	110	Y226 E227 V232 L233 E234 Y278 L279 L282	Y226-I230 HydrophobicContact CD2-CD1 4.03Å; Y226-I230 WeakPolarHBondContact O-CG1 3.44Å; Y226-I230 PolarHBondContact O-N 2.88Å; E227-I230 PolarHBondContact O-N 2.9Å; E227-I230 VanDerWaalsContact O-N 3.16Å; I230-V232 VanDerWaalsContact C-N 3.27Å; I230-V232 PolarHBondContact O-N 3.48Å; I230-L233 CarbonylContact O-C 3.56Å; I230-L233 PolarHBondContact O-N 3.42Å; I230-E234 HydrophobicContact CG2-CG 4.19Å; I230-E234 WeakPolarHBondContact O-CG 3.23Å; I230-E234 PolarHBondContact O-N 3.05Å; I230-Y278 HydrophobicContact CD1-CE1 4.09Å; I230-L279 HydrophobicContact CG1-CD2 4.02Å; I230-L282 HydrophobicContact CG2-CD1 3.99Å
231	T	88.7	Confident	85.4	Confident	41 Å²	41	49.8 Å²	49.8	25%	0.252	27%	0.265	S	S	.	.	H	α-helix	trans	-57	-40.1	178	-59.8	0	0	0	0	112.1	E227 D228 E234 A235 L805 T822	E227-T231 PolarHBondContact O-N 3.34Å; E227-T231 PolarHBondContact O-OG1 3.16Å; E227-T231 VanDerWaalsContact O-OG1 3.05Å; D228-T231 PolarHBondContact O-N 2.98Å; T231-E234 PolarHBondContact O-N 3.24Å; T231-A235 WeakPolarHBondContact O-CB 3.4Å; T231-A235 PolarHBondContact O-N 3.09Å; T231-L805 HydrophobicContact CG2-CD2 4.19Å; T231-T822 HydrophobicContact CG2-CG2 3.55Å; T231-T822 WeakPolarHBondContact CG2-OG1 3.36Å
232	V	90.7	Very high	86.7	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-66.8	-41.8	175.6	168.5	0	0	0	0	111.8	D228 F229 I230 E234 A235 T236 V798 R801 L805	D228-V232 VanDerWaalsContact O-CG2 3.31Å; D228-V232 WeakPolarHBondContact O-CG2 3.47Å; D228-V232 PolarHBondContact O-N 3.08Å; F229-V232 PolarHBondContact O-N 3.32Å; I230-V232 VanDerWaalsContact C-N 3.27Å; I230-V232 PolarHBondContact O-N 3.48Å; V232-E234 VanDerWaalsContact C-N 3.31Å; V232-E234 PolarHBondContact O-N 3.36Å; V232-A235 PolarHBondContact O-N 3.33Å; V232-T236 WeakPolarHBondContact O-CB 3.34Å; V232-T236 PolarHBondContact O-N 3.08Å; V232-V798 HydrophobicContact CG1-CG1 4.25Å; V232-R801 HydrophobicContact CG1-CB 4.29Å; V232-R801 HydrophobicContact CG1-CG 4.1Å; V232-R801 HydrophobicContact CG2-CG 4.1Å; V232-L805 HydrophobicContact CG2-CD2 4.24Å
233	L	90.9	Very high	87.7	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-67	-31.9	176.4	-67.1	178.3	0	0	0	112.7	F229 I230 L242 T245 L279 L282 I283 V798	F229-L233 HydrophobicContact CD1-CD1 4.03Å; F229-L233 HydrophobicContact CE1-CD1 3.57Å; F229-L233 HydrophobicContact CE1-CG 4.43Å; F229-L233 HydrophobicContact CE2-CD1 4.36Å; F229-L233 HydrophobicContact CE2-CG 4.44Å; F229-L233 HydrophobicContact CZ-CD1 3.75Å; F229-L233 HydrophobicContact CZ-CD2 4.48Å; F229-L233 HydrophobicContact CZ-CG 4.3Å; F229-L233 WeakPolarHBondContact O-CG 3.49Å; F229-L233 PolarHBondContact O-N 3.31Å; I230-L233 CarbonylContact O-C 3.56Å; I230-L233 PolarHBondContact O-N 3.42Å; L233-L242 HydrophobicContact CD2-CD2 4.33Å; L233-T245 HydrophobicContact CD2-CG2 4.15Å; L233-L279 HydrophobicContact CD1-CD2 4.26Å; L233-L282 HydrophobicContact CB-CD2 3.72Å; L233-L282 HydrophobicContact CD1-CD2 4.26Å; L233-I283 HydrophobicContact CD1-CD1 4.24Å; L233-I283 HydrophobicContact CD1-CG1 4.21Å; L233-V798 HydrophobicContact CD2-CG1 4.28Å
234	E	87.9	Confident	88.7	Confident	85 Å²	85	47.9 Å²	47.9	40%	0.397	25%	0.247	S	C	.	.	H	α-helix	trans	-76	-28.5	173.7	-70.6	174.8	160	0	0	112.4	I230 T231 V232 L282 R286	I230-E234 HydrophobicContact CG2-CG 4.19Å; I230-E234 WeakPolarHBondContact O-CG 3.23Å; I230-E234 PolarHBondContact O-N 3.05Å; T231-E234 PolarHBondContact O-N 3.24Å; V232-E234 VanDerWaalsContact C-N 3.31Å; V232-E234 PolarHBondContact O-N 3.36Å; E234-L282 HydrophobicContact CG-CD1 3.87Å; E234-L282 HydrophobicContact CG-CD2 4.37Å; E234-L282 HydrophobicContact CG-CG 4.42Å; E234-L282 WeakPolarHBondContact OE1-CD1 3.4Å; E234-R286 PolarHBondContact O-NH1 3.27Å; E234-R286 PolarHBondContact O-NH2 3.29Å
235	A	84.2	Confident	89.5	Confident	40 Å²	40	44.4 Å²	44.4	33%	0.331	23%	0.23	S	C	.	.	H	α-helix	trans	-87.7	-22.4	180	0	0	0	0	0	113.5	T231 V232 T822	T231-A235 WeakPolarHBondContact O-CB 3.4Å; T231-A235 PolarHBondContact O-N 3.09Å; V232-A235 PolarHBondContact O-N 3.33Å; A235-T822 HydrophobicContact CB-CG2 4.36Å
236	T	87.9	Confident	90.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.			trans	-71.9	138.3	-177.1	-164.6	0	0	0	0	112.2	V232 D238 E241 L242 R286	V232-T236 WeakPolarHBondContact O-CB 3.34Å; V232-T236 PolarHBondContact O-N 3.08Å; T236-D238 PolarHBondContact OG1-N 2.89Å; T236-E241 PolarHBondContact OG1-OE2 3.1Å; T236-L242 HydrophobicContact CG2-CD1 4.3Å; T236-L242 HydrophobicContact CG2-CD2 3.51Å; T236-L242 HydrophobicContact CG2-CG 3.74Å; T236-R286 PolarHBondContact O-NH2 3.3Å
237	D	83.2	Confident	90.4	Very high	121 Å²	121	39.5 Å²	39.5	65%	0.647	21%	0.213	S	C	*	.			trans	-108.9	0.8	172.7	56.7	-17.7	0	0	0	112	L290	D237-L290 HydrophobicContact CB-CD2 4.25Å
238	D	88.3	Confident	90.7	Very high	44 Å²	44	38.2 Å²	38.2	24%	0.235	21%	0.212	C	C	.	.			trans	-87.4	110.7	178.2	-170.5	-31.2	0	0	0	110.8	T236 D240 E241 L242 R797	T236-D238 PolarHBondContact OG1-N 2.89Å; D238-D240 VanDerWaalsContact C-N 3.28Å; D238-D240 PolarHBondContact O-N 3.39Å; D238-D240 WeakPolarHBondContact OD1-CA 3.43Å; D238-D240 VanDerWaalsContact OD1-CB 3.27Å; D238-D240 WeakPolarHBondContact OD1-CB 3.32Å; D238-D240 PolarHBondContact OD1-N 2.96Å; D238-E241 HydrophobicContact CB-CB 4.15Å; D238-E241 HydrophobicContact CB-CG 3.85Å; D238-E241 PolarHBondContact O-N 3.42Å; D238-E241 PolarHBondContact OD1-N 3.11Å; D238-L242 PolarHBondContact O-N 2.78Å; D238-R797 IonicContact OD2-CZ 3.45Å; D238-R797 IonicContact OD2-NH1 3.45Å; D238-R797 PolarHBondContact OD2-NH1 2.84Å; D238-R797 IonicContact OD2-NH2 3.03Å
239	A	89.6	Confident	90.9	Very high	41 Å²	41	38.3 Å²	38.3	34%	0.339	21%	0.213	S	C	.	.	H	α-helix	trans	-64.5	-30.1	178.6	0	0	0	0	0	113	L242 N243 L287	A239-L242 PolarHBondContact O-N 2.62Å; A239-N243 VanDerWaalsContact O-CB 3.32Å; A239-N243 WeakPolarHBondContact O-CB 3.48Å; A239-N243 VanDerWaalsContact O-CG 3.26Å; A239-N243 PolarHBondContact O-N 3.4Å; A239-N243 PolarHBondContact O-ND2 2.81Å; A239-L287 HydrophobicContact CB-CD2 4.22Å
240	D	91.1	Very high	90.9	Very high	76 Å²	76	39.8 Å²	39.8	41%	0.406	22%	0.221	S	C	.	.	H	α-helix	trans	-68.3	-38.1	177.4	-72	-16	0	0	0	110.8	D238 A244 Q790 A794	D238-D240 VanDerWaalsContact C-N 3.28Å; D238-D240 PolarHBondContact O-N 3.39Å; D238-D240 WeakPolarHBondContact OD1-CA 3.43Å; D238-D240 VanDerWaalsContact OD1-CB 3.27Å; D238-D240 WeakPolarHBondContact OD1-CB 3.32Å; D238-D240 PolarHBondContact OD1-N 2.96Å; D240-A244 WeakPolarHBondContact O-CB 3.34Å; D240-A244 PolarHBondContact O-N 2.84Å; D240-Q790 PolarHBondContact OD2-NE2 3.46Å; D240-Q790 VanDerWaalsContact OD2-NE2 3.1Å; D240-A794 HydrophobicContact CB-CB 4.38Å
241	E	92.4	Very high	91	Very high	2 Å²	2	44 Å²	44	1%	0.009	24%	0.24	C	C	.	.	H	α-helix	trans	-62.3	-45.6	174.8	-70.7	-173.8	172.2	0	0	111.9	T236 D238 T245 A794 R797 V798	T236-E241 PolarHBondContact OG1-OE2 3.1Å; D238-E241 HydrophobicContact CB-CB 4.15Å; D238-E241 HydrophobicContact CB-CG 3.85Å; D238-E241 PolarHBondContact O-N 3.42Å; D238-E241 PolarHBondContact OD1-N 3.11Å; E241-T245 VanDerWaalsContact O-CB 3.26Å; E241-T245 WeakPolarHBondContact O-CB 3.18Å; E241-T245 PolarHBondContact O-N 3.42Å; E241-T245 PolarHBondContact O-OG1 3.31Å; E241-A794 HydrophobicContact CG-CB 4.27Å; E241-R797 WeakPolarHBondContact OE1-CB 3.17Å; E241-R797 WeakPolarHBondContact OE1-CD 3.17Å; E241-R797 WeakPolarHBondContact OE1-CG 3.46Å; E241-R797 IonicContact OE1-CZ 3.27Å; E241-R797 IonicContact OE1-NE 2.74Å; E241-R797 IonicContact OE1-NH1 2.82Å; E241-R797 PolarHBondContact OE1-NH1 3.41Å; E241-V798 HydrophobicContact CB-CG2 3.72Å; E241-V798 HydrophobicContact CG-CG2 3.9Å
242	L	94.6	Very high	91	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.4	-46.9	179	-69.1	175.1	0	0	0	111.1	L233 T236 D238 A239 T245 M246 I283 R286 L287 L290	L233-L242 HydrophobicContact CD2-CD2 4.33Å; T236-L242 HydrophobicContact CG2-CD1 4.3Å; T236-L242 HydrophobicContact CG2-CD2 3.51Å; T236-L242 HydrophobicContact CG2-CG 3.74Å; D238-L242 PolarHBondContact O-N 2.78Å; A239-L242 PolarHBondContact O-N 2.62Å; L242-T245 PolarHBondContact O-N 3.31Å; L242-M246 WeakPolarHBondContact O-CB 3.46Å; L242-M246 PolarHBondContact O-N 3.42Å; L242-I283 HydrophobicContact CB-CG2 3.97Å; L242-I283 HydrophobicContact CD2-CG2 4.13Å; L242-I283 WeakPolarHBondContact O-CG2 3.33Å; L242-R286 HydrophobicContact CD1-CB 3.8Å; L242-R286 HydrophobicContact CD2-CB 4.3Å; L242-L287 HydrophobicContact CB-CD1 4.34Å; L242-L287 HydrophobicContact CB-CD2 3.76Å; L242-L287 HydrophobicContact CB-CG 3.91Å; L242-L287 HydrophobicContact CD1-CD2 4.02Å; L242-L287 HydrophobicContact CD1-CG 4.1Å; L242-L290 HydrophobicContact CD1-CD1 3.7Å
243	N	94.9	Very high	90.8	Very high	72 Å²	72	45.9 Å²	45.9	39%	0.385	25%	0.246	S	C	.	.	H	α-helix	trans	-64.6	-45.6	178.8	-75.9	-41	0	0	0	112.1	A239 T245 M246 E247 L287	A239-N243 VanDerWaalsContact O-CB 3.32Å; A239-N243 WeakPolarHBondContact O-CB 3.48Å; A239-N243 VanDerWaalsContact O-CG 3.26Å; A239-N243 PolarHBondContact O-N 3.4Å; A239-N243 PolarHBondContact O-ND2 2.81Å; N243-T245 VanDerWaalsContact C-N 3.29Å; N243-T245 PolarHBondContact O-N 3.15Å; N243-M246 WeakPolarHBondContact O-CB 3.49Å; N243-M246 PolarHBondContact O-N 3.44Å; N243-M246 VanDerWaalsContact O-N 3.15Å; N243-E247 WeakPolarHBondContact O-CG 3.45Å; N243-E247 PolarHBondContact O-N 3.48Å; N243-L287 WeakPolarHBondContact OD1-CD1 3.46Å
244	A	94.3	Very high	90.7	Very high	3 Å²	3	52 Å²	52	3%	0.025	27%	0.274	C	S	.	.	H	α-helix	trans	-66.3	-33.9	179.1	0	0	0	0	0	112.4	D240 S248 S791 A794 R795	D240-A244 WeakPolarHBondContact O-CB 3.34Å; D240-A244 PolarHBondContact O-N 2.84Å; A244-S248 PolarHBondContact O-N 3.13Å; A244-S791 WeakPolarHBondContact CB-O 3.26Å; A244-A794 HydrophobicContact CB-CB 3.88Å; A244-R795 HydrophobicContact CB-CG 3.94Å; A244-R795 WeakPolarHBondContact O-CD 3.47Å
245	T	94.6	Very high	90.6	Very high	16 Å²	16	51.8 Å²	51.8	10%	0.098	28%	0.275	C	S	.	.	H	α-helix	trans	-69.7	-40.1	172.7	-55.5	0	0	0	0	110.9	F229 L233 E241 L242 N243 E247 S248 L249 I283	F229-T245 HydrophobicContact CZ-CG2 3.96Å; L233-T245 HydrophobicContact CD2-CG2 4.15Å; E241-T245 VanDerWaalsContact O-CB 3.26Å; E241-T245 WeakPolarHBondContact O-CB 3.18Å; E241-T245 PolarHBondContact O-N 3.42Å; E241-T245 PolarHBondContact O-OG1 3.31Å; L242-T245 PolarHBondContact O-N 3.31Å; N243-T245 VanDerWaalsContact C-N 3.29Å; N243-T245 PolarHBondContact O-N 3.15Å; T245-E247 PolarHBondContact O-N 3.2Å; T245-S248 PolarHBondContact O-N 3.01Å; T245-L249 VanDerWaalsContact O-CB 3.3Å; T245-L249 WeakPolarHBondContact O-CB 3.45Å; T245-L249 PolarHBondContact O-N 3.03Å; T245-I283 HydrophobicContact CG2-CD1 3.83Å
246	M	94.8	Very high	90.4	Very high	20 Å²	20	50.3 Å²	50.3	10%	0.099	26%	0.262	C	S	.	.	H	α-helix	trans	-59.8	-43.8	174.8	-179.3	61.8	74.9	0	0	112	L242 N243 S248 L249 Q250 Q280 I283 A284	L242-M246 WeakPolarHBondContact O-CB 3.46Å; L242-M246 PolarHBondContact O-N 3.42Å; N243-M246 WeakPolarHBondContact O-CB 3.49Å; N243-M246 PolarHBondContact O-N 3.44Å; N243-M246 VanDerWaalsContact O-N 3.15Å; M246-S248 PolarHBondContact O-N 3.36Å; M246-L249 WeakPolarHBondContact O-CB 3.38Å; M246-L249 PolarHBondContact O-N 3.22Å; M246-L249 HydrophobicContact SD-CD2 4.3Å; M246-Q250 HydrophobicContact CG-CG 4.45Å; M246-Q250 VanDerWaalsContact O-CG 3.3Å; M246-Q250 WeakPolarHBondContact O-CG 3.39Å; M246-Q250 PolarHBondContact O-N 2.98Å; M246-Q250 HydrophobicContact SD-CG 4.24Å; M246-Q280 HydrophobicContact CE-CG 4.06Å; M246-Q280 WeakPolarHBondContact CE-O 3.36Å; M246-Q280 HydrophobicContact SD-CG 3.94Å; M246-I283 HydrophobicContact CB-CG2 4.17Å; M246-I283 HydrophobicContact CE-CB 3.68Å; M246-I283 HydrophobicContact CE-CG2 3.61Å; M246-A284 HydrophobicContact CE-CB 4.42Å
247	E	93.1	Very high	90.1	Very high	97 Å²	97	57.1 Å²	57.1	45%	0.453	29%	0.288	S	S	.	.	H	α-helix	trans	-58.8	-46.6	175.1	-72.9	177.5	178	0	0	111.6	N243 T245 L249 Q250 Q251	N243-E247 WeakPolarHBondContact O-CG 3.45Å; N243-E247 PolarHBondContact O-N 3.48Å; T245-E247 PolarHBondContact O-N 3.2Å; E247-L249 VanDerWaalsContact C-N 3.29Å; E247-L249 PolarHBondContact O-N 2.77Å; E247-Q250 PolarHBondContact O-N 3.4Å; E247-Q251 WeakPolarHBondContact O-CG 3.21Å; E247-Q251 PolarHBondContact O-N 2.64Å; E247-Q251 VanDerWaalsContact O-N 3.12Å
248	S	92.1	Very high	89.9	Confident	46 Å²	46	55.3 Å²	55.3	32%	0.322	28%	0.284	S	S	.	.	H	α-helix	trans	-65.3	-35.5	177.8	-161.2	0	0	0	0	112.1	A244 T245 M246 E252	A244-S248 PolarHBondContact O-N 3.13Å; T245-S248 PolarHBondContact O-N 3.01Å; M246-S248 PolarHBondContact O-N 3.36Å; S248-E252 PolarHBondContact O-N 3.33Å; S248-E252 VanDerWaalsContact O-N 3.16Å
249	L	93.4	Very high	89.3	Confident	13 Å²	13	57.7 Å²	57.7	7%	0.068	29%	0.293	C	S	.	.	H	α-helix	trans	-67.4	-42.9	176.7	177.5	63.7	0	0	0	111.4	T245 M246 E247 E252 I253 L276 L279 Q280 I283	T245-L249 VanDerWaalsContact O-CB 3.3Å; T245-L249 WeakPolarHBondContact O-CB 3.45Å; T245-L249 PolarHBondContact O-N 3.03Å; M246-L249 WeakPolarHBondContact O-CB 3.38Å; M246-L249 PolarHBondContact O-N 3.22Å; M246-L249 HydrophobicContact SD-CD2 4.3Å; E247-L249 VanDerWaalsContact C-N 3.29Å; E247-L249 PolarHBondContact O-N 2.77Å; L249-E252 PolarHBondContact O-N 2.73Å; L249-I253 HydrophobicContact CD1-CD1 4.29Å; L249-I253 HydrophobicContact CD1-CG1 4.47Å; L249-I253 HydrophobicContact CG-CD1 4Å; L249-I253 VanDerWaalsContact O-CG1 3.3Å; L249-I253 WeakPolarHBondContact O-CG1 3.49Å; L249-I253 PolarHBondContact O-N 3.43Å; L249-L276 HydrophobicContact CD1-CB 3.88Å; L249-L276 HydrophobicContact CD1-CD2 3.49Å; L249-L276 VanDerWaalsContact CD1-CD2 3.49Å; L249-L276 HydrophobicContact CD1-CG 4.24Å; L249-L279 HydrophobicContact CD1-CB 4.28Å; L249-L279 HydrophobicContact CD2-CB 3.94Å; L249-Q280 VanDerWaalsContact CD2-CA 3.49Å; L249-Q280 HydrophobicContact CD2-CB 3.81Å; L249-I283 HydrophobicContact CD2-CD1 4.12Å
250	Q	92.9	Very high	88.2	Confident	88 Å²	88	59 Å²	59	41%	0.411	29%	0.294	S	S	.	.	H	α-helix	trans	-62.2	-44.4	177.1	-74	173	6.9	0	0	111.5	M246 E247 E252 I253 E254	M246-Q250 HydrophobicContact CG-CG 4.45Å; M246-Q250 VanDerWaalsContact O-CG 3.3Å; M246-Q250 WeakPolarHBondContact O-CG 3.39Å; M246-Q250 PolarHBondContact O-N 2.98Å; M246-Q250 HydrophobicContact SD-CG 4.24Å; E247-Q250 PolarHBondContact O-N 3.4Å; Q250-E252 VanDerWaalsContact C-N 3.3Å; Q250-E252 PolarHBondContact O-N 3.25Å; Q250-I253 PolarHBondContact O-N 3.43Å; Q250-E254 WeakPolarHBondContact O-CG 3.4Å; Q250-E254 PolarHBondContact O-N 3.1Å
251	Q	91.1	Very high	87	Confident	119 Å²	119	61.4 Å²	61.4	56%	0.556	31%	0.312	S	S	*	.	H	α-helix	trans	-59.2	-41	174.8	-70.5	172.6	12	0	0	112.1	E247 E254 L255	E247-Q251 WeakPolarHBondContact O-CG 3.21Å; E247-Q251 PolarHBondContact O-N 2.64Å; E247-Q251 VanDerWaalsContact O-N 3.12Å; Q251-E254 PolarHBondContact O-N 3.25Å; Q251-L255 WeakPolarHBondContact O-CB 3.43Å; Q251-L255 PolarHBondContact O-N 3.17Å
252	E	89.3	Confident	85.4	Confident	74 Å²	74	64.2 Å²	64.2	35%	0.346	34%	0.341	S	S	.	.	H	α-helix	trans	-69.3	-39.8	177.1	-171.2	60.6	-149.8	0	0	111.8	S248 L249 Q250 E254 L255 Q256 L276	S248-E252 PolarHBondContact O-N 3.33Å; S248-E252 VanDerWaalsContact O-N 3.16Å; L249-E252 PolarHBondContact O-N 2.73Å; Q250-E252 VanDerWaalsContact C-N 3.3Å; Q250-E252 PolarHBondContact O-N 3.25Å; E252-E254 VanDerWaalsContact C-N 3.34Å; E252-E254 PolarHBondContact O-N 3.36Å; E252-L255 PolarHBondContact O-N 3.45Å; E252-Q256 HydrophobicContact CG-CG 4.46Å; E252-Q256 VanDerWaalsContact O-CG 3.31Å; E252-Q256 WeakPolarHBondContact O-CG 3.32Å; E252-Q256 PolarHBondContact O-N 3.25Å; E252-Q256 PolarHBondContact OE1-NE2 3.46Å; E252-L276 HydrophobicContact CG-CD1 3.98Å; E252-L276 HydrophobicContact CG-CD2 4.21Å
253	I	87.6	Confident	83.6	Confident	7 Å²	7	66 Å²	66	4%	0.036	36%	0.359	C	S	.	.	H	α-helix	trans	-59.8	-45.1	174.5	-71.2	167.3	0	0	0	110.7	L249 Q250 Q256 R257 L273 L276 F277	L249-I253 HydrophobicContact CD1-CD1 4.29Å; L249-I253 HydrophobicContact CD1-CG1 4.47Å; L249-I253 HydrophobicContact CG-CD1 4Å; L249-I253 VanDerWaalsContact O-CG1 3.3Å; L249-I253 WeakPolarHBondContact O-CG1 3.49Å; L249-I253 PolarHBondContact O-N 3.43Å; Q250-I253 PolarHBondContact O-N 3.43Å; I253-Q256 PolarHBondContact O-N 2.95Å; I253-R257 WeakPolarHBondContact O-CB 3.14Å; I253-R257 VanDerWaalsContact O-CG 3.31Å; I253-R257 WeakPolarHBondContact O-CG 3.26Å; I253-R257 PolarHBondContact O-N 3.23Å; I253-L273 HydrophobicContact CG2-CD2 4.21Å; I253-L276 HydrophobicContact CD1-CB 4.16Å; I253-L276 HydrophobicContact CG1-CB 3.66Å; I253-L276 HydrophobicContact CG1-CD1 3.98Å; I253-L276 HydrophobicContact CG1-CG 4.39Å; I253-F277 HydrophobicContact CD1-CD1 4.25Å; I253-F277 HydrophobicContact CD1-CE1 4.26Å; I253-F277 HydrophobicContact CG2-CE1 4Å; I253-F277 HydrophobicContact CG2-CZ 4.34Å
254	E	88.1	Confident	81.7	Confident	127 Å²	127	68 Å²	68	59%	0.593	39%	0.386	S	S	*	.	H	α-helix	trans	-62.4	-43.5	176.7	-72.1	172.7	-177.6	0	0	111.8	Q250 Q251 E252 R257 S258	Q250-E254 WeakPolarHBondContact O-CG 3.4Å; Q250-E254 PolarHBondContact O-N 3.1Å; Q251-E254 PolarHBondContact O-N 3.25Å; E252-E254 VanDerWaalsContact C-N 3.34Å; E252-E254 PolarHBondContact O-N 3.36Å; E254-R257 PolarHBondContact O-N 3.47Å; E254-S258 PolarHBondContact O-N 2.9Å
255	L	85.7	Confident	79.8	Confident	81 Å²	81	73.6 Å²	73.6	42%	0.424	42%	0.415	S	S	.	.	H	α-helix	trans	-62.3	-43.8	176.3	178.6	63.1	0	0	0	111.8	Q251 E252 S258	Q251-L255 WeakPolarHBondContact O-CB 3.43Å; Q251-L255 PolarHBondContact O-N 3.17Å; E252-L255 PolarHBondContact O-N 3.45Å; L255-S258 PolarHBondContact O-N 2.93Å; L255-S258 PolarHBondContact O-OG 3.27Å
256	Q	79.5	Confident	78.4	Confident	10 Å²	10	74 Å²	74	5%	0.047	42%	0.417	C	S	.	.	H	α-helix	trans	-68.5	-38	178.4	-66.3	-57.6	-21.9	0	0	111.8	E252 I253 S258 K259 D260 L273 L276	E252-Q256 HydrophobicContact CG-CG 4.46Å; E252-Q256 VanDerWaalsContact O-CG 3.31Å; E252-Q256 WeakPolarHBondContact O-CG 3.32Å; E252-Q256 PolarHBondContact O-N 3.25Å; E252-Q256 PolarHBondContact OE1-NE2 3.46Å; I253-Q256 PolarHBondContact O-N 2.95Å; Q256-S258 VanDerWaalsContact C-N 3.31Å; Q256-S258 PolarHBondContact O-N 2.82Å; Q256-K259 VanDerWaalsContact NE2-NZ 3.17Å; Q256-K259 PolarHBondContact O-N 3.35Å; Q256-K259 VanDerWaalsContact O-N 3.14Å; Q256-D260 PolarHBondContact O-N 3.08Å; Q256-L273 HydrophobicContact CB-CD2 3.82Å; Q256-L273 HydrophobicContact CB-CG 4.15Å; Q256-L276 HydrophobicContact CG-CD1 4.04Å
257	R	81.8	Confident	77.4	Confident	143 Å²	143	75 Å²	75	54%	0.54	43%	0.432	S	S	.	.	H	α-helix	trans	-61.7	-35.2	171.9	-75.9	175.1	174.1	178.6	-1.4	113	I253 E254 K259 D260 L273	I253-R257 WeakPolarHBondContact O-CB 3.14Å; I253-R257 VanDerWaalsContact O-CG 3.31Å; I253-R257 WeakPolarHBondContact O-CG 3.26Å; I253-R257 PolarHBondContact O-N 3.23Å; E254-R257 PolarHBondContact O-N 3.47Å; R257-K259 PolarHBondContact O-N 2.84Å; R257-D260 WeakPolarHBondContact O-CB 3.49Å; R257-D260 PolarHBondContact O-N 2.95Å; R257-L273 HydrophobicContact CG-CD1 4.35Å; R257-L273 HydrophobicContact CG-CD2 4.06Å
258	S	79.8	Confident	76.5	Confident	83 Å²	83	74.8 Å²	74.8	58%	0.58	43%	0.434	S	S	*	.	H	α-helix	trans	-67.8	-19.4	176.6	75.6	0	0	0	0	114	E254 L255 Q256	E254-S258 PolarHBondContact O-N 2.9Å; L255-S258 PolarHBondContact O-N 2.93Å; L255-S258 PolarHBondContact O-OG 3.27Å; Q256-S258 VanDerWaalsContact C-N 3.31Å; Q256-S258 PolarHBondContact O-N 2.82Å
259	K	74.9	Confident	75.8	Confident	94 Å²	94	73.3 Å²	73.3	41%	0.409	42%	0.422	S	S	.	.	H	α-helix	trans	-88.9	-15.4	177.2	-63.6	173.1	-166.7	162.2	0	112.5	Q256 R257 T261 I269	Q256-K259 VanDerWaalsContact NE2-NZ 3.17Å; Q256-K259 PolarHBondContact O-N 3.35Å; Q256-K259 VanDerWaalsContact O-N 3.14Å; R257-K259 PolarHBondContact O-N 2.84Å; K259-T261 VanDerWaalsContact C-N 3.26Å; K259-T261 PolarHBondContact O-N 3.34Å; K259-I269 HydrophobicContact CB-CD1 3.94Å
260	D	66.9	Low	75.1	Confident	67 Å²	67	78 Å²	78	36%	0.358	44%	0.442	S	S	.	.			trans	-70.9	81.3	177.9	-166.6	16.6	0	0	0	109.1	Q256 R257 I269	Q256-D260 PolarHBondContact O-N 3.08Å; R257-D260 WeakPolarHBondContact O-CB 3.49Å; R257-D260 PolarHBondContact O-N 2.95Å; D260-I269 HydrophobicContact CB-CG2 4.38Å
261	T	64.8	Low	74.4	Confident	128 Å²	128	80.1 Å²	80.1	79%	0.785	45%	0.452	S	S	*	.			trans	-96	9.6	179.8	53.4	0	0	0	0	113	K259	K259-T261 VanDerWaalsContact C-N 3.26Å; K259-T261 PolarHBondContact O-N 3.34Å
262	G	59.6	Low	74	Confident	60 Å²	60	78 Å²	78	62%	0.619	44%	0.442	S	S	*	.	S	Bend	trans	76.3	28.2	177.5	0	0	0	0	0	113.7	D266	G262-D266 WeakPolarHBondContact CA-OD1 3.1Å; G262-D266 WeakPolarHBondContact CA-OD2 3.32Å; G262-D266 PolarHBondContact N-OD1 3.49Å
263	G	57	Low	73.7	Confident	37 Å²	37	75 Å²	75	38%	0.381	43%	0.429	S	S	.	.	S	Bend	trans	-106.8	-177.9	-174.7	0	0	0	0	0	113.6	D265 D266	G263-D265 PolarHBondContact O-N 3.25Å; G263-D265 VanDerWaalsContact O-N 3.1Å; G263-D266 PolarHBondContact N-OD1 3.28Å; G263-D266 WeakPolarHBondContact O-CB 3.37Å; G263-D266 PolarHBondContact O-N 2.94Å; G263-D266 VanDerWaalsContact O-OD1 3.08Å
264	A	54.8	Low	73.7	Confident	116 Å²	116	76.6 Å²	76.6	96%	0.959	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.4	-178.8	0	0	0	0	0	114.7	D266	A264-D266 VanDerWaalsContact C-N 3.26Å; A264-D266 PolarHBondContact O-N 3.27Å
265	D	55	Low	73.6	Confident	119 Å²	119	73.9 Å²	73.9	64%	0.636	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-4	174.6	-125.7	-3.4	0	0	0	113.1	G263 G267 L268 I269	G263-D265 PolarHBondContact O-N 3.25Å; G263-D265 VanDerWaalsContact O-N 3.1Å; D265-G267 PolarHBondContact O-N 3.47Å; D265-L268 PolarHBondContact O-N 3.5Å; D265-I269 PolarHBondContact O-N 2.87Å
266	D	64.3	Low	73.9	Confident	24 Å²	24	71.3 Å²	71.3	13%	0.128	43%	0.428	C	S	.	.	H	α-helix	trans	-57.1	-32.5	-178.4	-87.3	23	0	0	0	113.4	G262 G263 A264 I269 K270	G262-D266 WeakPolarHBondContact CA-OD1 3.1Å; G262-D266 WeakPolarHBondContact CA-OD2 3.32Å; G262-D266 PolarHBondContact N-OD1 3.49Å; G263-D266 PolarHBondContact N-OD1 3.28Å; G263-D266 WeakPolarHBondContact O-CB 3.37Å; G263-D266 PolarHBondContact O-N 2.94Å; G263-D266 VanDerWaalsContact O-OD1 3.08Å; A264-D266 VanDerWaalsContact C-N 3.26Å; A264-D266 PolarHBondContact O-N 3.27Å; D266-I269 PolarHBondContact O-N 2.88Å; D266-K270 HydrophobicContact CB-CD 4.38Å; D266-K270 VanDerWaalsContact O-CB 3.22Å; D266-K270 WeakPolarHBondContact O-CB 3.33Å; D266-K270 WeakPolarHBondContact O-CD 3.08Å; D266-K270 WeakPolarHBondContact O-CG 3.47Å; D266-K270 PolarHBondContact O-N 3.14Å; D266-K270 IonicContact OD2-NZ 2.81Å; D266-K270 PolarHBondContact OD2-NZ 3.49Å
267	G	73	Confident	74.5	Confident	41 Å²	41	74.3 Å²	74.3	42%	0.423	44%	0.441	S	S	.	.	H	α-helix	trans	-63.1	-46.3	-175.7	0	0	0	0	0	112.5	D265 Q271	D265-G267 PolarHBondContact O-N 3.47Å; G267-Q271 WeakPolarHBondContact O-CB 3.33Å; G267-Q271 PolarHBondContact O-N 3.49Å
268	L	76.1	Confident	74.9	Confident	94 Å²	94	73.5 Å²	73.5	49%	0.492	44%	0.439	S	S	.	.	H	α-helix	trans	-70	-39.9	178.8	-177.7	65.2	0	0	0	111.2	D265 Q271 Q272	D265-L268 PolarHBondContact O-N 3.5Å; L268-Q271 PolarHBondContact O-N 3.12Å; L268-Q272 WeakPolarHBondContact O-CG 3.41Å; L268-Q272 PolarHBondContact O-N 3.11Å
269	I	75.6	Confident	75.5	Confident	15 Å²	15	71 Å²	71	8%	0.077	42%	0.419	C	S	.	.	H	α-helix	trans	-63.8	-45.3	177.4	-62.5	170.7	0	0	0	110.1	K259 D260 D265 D266 Q271 Q272 L273	K259-I269 HydrophobicContact CB-CD1 3.94Å; D260-I269 HydrophobicContact CB-CG2 4.38Å; D265-I269 PolarHBondContact O-N 2.87Å; D266-I269 PolarHBondContact O-N 2.88Å; I269-Q271 VanDerWaalsContact C-N 3.33Å; I269-Q271 PolarHBondContact O-N 3.39Å; I269-Q272 PolarHBondContact O-N 2.94Å; I269-L273 HydrophobicContact CG2-CD1 4.07Å; I269-L273 HydrophobicContact CG2-CG 4.47Å; I269-L273 WeakPolarHBondContact O-CB 3.39Å; I269-L273 WeakPolarHBondContact O-CG 3.47Å; I269-L273 PolarHBondContact O-N 3.19Å
270	K	79.1	Confident	76.4	Confident	110 Å²	110	69.6 Å²	69.6	48%	0.478	41%	0.414	S	S	.	.	H	α-helix	trans	-61.3	-40.5	175.7	-75.8	168.9	-175.2	159.7	0	111.9	D266 L273 G274	D266-K270 HydrophobicContact CB-CD 4.38Å; D266-K270 VanDerWaalsContact O-CB 3.22Å; D266-K270 WeakPolarHBondContact O-CB 3.33Å; D266-K270 WeakPolarHBondContact O-CD 3.08Å; D266-K270 WeakPolarHBondContact O-CG 3.47Å; D266-K270 PolarHBondContact O-N 3.14Å; D266-K270 IonicContact OD2-NZ 2.81Å; D266-K270 PolarHBondContact OD2-NZ 3.49Å; K270-L273 PolarHBondContact O-N 2.79Å; K270-G274 PolarHBondContact O-N 3.39Å
271	Q	78.3	Confident	77.6	Confident	134 Å²	134	74.4 Å²	74.4	63%	0.626	43%	0.431	S	S	*	.	H	α-helix	trans	-63.1	-45.7	174.2	-172.1	-176.4	10.1	0	0	111.7	G267 L268 I269 G274 S275	G267-Q271 WeakPolarHBondContact O-CB 3.33Å; G267-Q271 PolarHBondContact O-N 3.49Å; L268-Q271 PolarHBondContact O-N 3.12Å; I269-Q271 VanDerWaalsContact C-N 3.33Å; I269-Q271 PolarHBondContact O-N 3.39Å; Q271-G274 PolarHBondContact O-N 2.83Å; Q271-S275 PolarHBondContact O-N 3.19Å; Q271-S275 PolarHBondContact O-OG 2.71Å
272	Q	82.7	Confident	78.9	Confident	74 Å²	74	69.5 Å²	69.5	35%	0.346	40%	0.4	S	S	.	.	H	α-helix	trans	-61.3	-46.3	176.7	-73.8	178.1	6.9	0	0	111.3	L268 I269 G274 S275 L276	L268-Q272 WeakPolarHBondContact O-CG 3.41Å; L268-Q272 PolarHBondContact O-N 3.11Å; I269-Q272 PolarHBondContact O-N 2.94Å; Q272-G274 VanDerWaalsContact C-N 3.31Å; Q272-G274 PolarHBondContact O-N 2.99Å; Q272-S275 PolarHBondContact O-N 2.99Å; Q272-L276 VanDerWaalsContact O-CG 3.27Å; Q272-L276 WeakPolarHBondContact O-CG 3.49Å; Q272-L276 PolarHBondContact O-N 3.36Å
273	L	83.9	Confident	80.4	Confident	12 Å²	12	66.7 Å²	66.7	6%	0.063	37%	0.371	C	S	.	.	H	α-helix	trans	-58.1	-42.8	174.8	-76.9	171.6	0	0	0	111.7	I253 Q256 R257 I269 K270 S275 L276 F277	I253-L273 HydrophobicContact CG2-CD2 4.21Å; Q256-L273 HydrophobicContact CB-CD2 3.82Å; Q256-L273 HydrophobicContact CB-CG 4.15Å; R257-L273 HydrophobicContact CG-CD1 4.35Å; R257-L273 HydrophobicContact CG-CD2 4.06Å; I269-L273 HydrophobicContact CG2-CD1 4.07Å; I269-L273 HydrophobicContact CG2-CG 4.47Å; I269-L273 WeakPolarHBondContact O-CB 3.39Å; I269-L273 WeakPolarHBondContact O-CG 3.47Å; I269-L273 PolarHBondContact O-N 3.19Å; K270-L273 PolarHBondContact O-N 2.79Å; L273-S275 PolarHBondContact O-N 3.08Å; L273-L276 PolarHBondContact O-N 3.45Å; L273-F277 HydrophobicContact CB-CD2 4.4Å; L273-F277 HydrophobicContact CB-CE2 3.93Å; L273-F277 HydrophobicContact CD2-CZ 4.36Å; L273-F277 WeakPolarHBondContact O-CD2 3.49Å; L273-F277 VanDerWaalsContact O-CG 3.3Å; L273-F277 WeakPolarHBondContact O-CG 3.36Å; L273-F277 PolarHBondContact O-N 3.42Å
274	G	86	Confident	82.1	Confident	40 Å²	40	67.3 Å²	67.3	41%	0.412	37%	0.372	S	S	.	.	H	α-helix	trans	-55.7	-48.4	174.1	0	0	0	0	0	112.8	K270 Q271 Q272 L276 F277 Y278	K270-G274 PolarHBondContact O-N 3.39Å; Q271-G274 PolarHBondContact O-N 2.83Å; Q272-G274 VanDerWaalsContact C-N 3.31Å; Q272-G274 PolarHBondContact O-N 2.99Å; G274-L276 PolarHBondContact O-N 3.42Å; G274-F277 PolarHBondContact O-N 2.94Å; G274-Y278 PolarHBondContact O-N 3.43Å
275	S	87.7	Confident	83.7	Confident	70 Å²	70	63.8 Å²	63.8	49%	0.49	35%	0.348	S	S	.	.	H	α-helix	trans	-63.4	-38.3	176	-60.1	0	0	0	0	112.9	Q271 Q272 L273 Y278 L279	Q271-S275 PolarHBondContact O-N 3.19Å; Q271-S275 PolarHBondContact O-OG 2.71Å; Q272-S275 PolarHBondContact O-N 2.99Å; L273-S275 PolarHBondContact O-N 3.08Å; S275-Y278 WeakPolarHBondContact O-CB 3.21Å; S275-Y278 PolarHBondContact O-N 3.25Å; S275-L279 PolarHBondContact O-N 3.27Å; S275-L279 VanDerWaalsContact O-N 3.16Å
276	L	91.3	Very high	85.3	Confident	26 Å²	26	59.7 Å²	59.7	14%	0.136	32%	0.323	C	S	.	.	H	α-helix	trans	-68.5	-37.9	176.7	-63.9	171.3	0	0	0	111.6	L249 E252 I253 Q256 Q272 L273 G274 Y278 L279 Q280	L249-L276 HydrophobicContact CD1-CB 3.88Å; L249-L276 HydrophobicContact CD1-CD2 3.49Å; L249-L276 VanDerWaalsContact CD1-CD2 3.49Å; L249-L276 HydrophobicContact CD1-CG 4.24Å; E252-L276 HydrophobicContact CG-CD1 3.98Å; E252-L276 HydrophobicContact CG-CD2 4.21Å; I253-L276 HydrophobicContact CD1-CB 4.16Å; I253-L276 HydrophobicContact CG1-CB 3.66Å; I253-L276 HydrophobicContact CG1-CD1 3.98Å; I253-L276 HydrophobicContact CG1-CG 4.39Å; Q256-L276 HydrophobicContact CG-CD1 4.04Å; Q272-L276 VanDerWaalsContact O-CG 3.27Å; Q272-L276 WeakPolarHBondContact O-CG 3.49Å; Q272-L276 PolarHBondContact O-N 3.36Å; L273-L276 PolarHBondContact O-N 3.45Å; G274-L276 PolarHBondContact O-N 3.42Å; L276-Y278 VanDerWaalsContact C-N 3.35Å; L276-L279 PolarHBondContact O-N 3.44Å; L276-Q280 WeakPolarHBondContact O-CB 3.22Å; L276-Q280 PolarHBondContact O-N 3.12Å
277	F	92.1	Very high	86.5	Confident	74 Å²	74	59.8 Å²	59.8	33%	0.325	32%	0.324	S	S	.	.	H	α-helix	trans	-67.3	-34.8	174.2	-67	-46.7	0	0	0	112.6	I253 L273 G274 Q280 K281	I253-F277 HydrophobicContact CD1-CD1 4.25Å; I253-F277 HydrophobicContact CD1-CE1 4.26Å; I253-F277 HydrophobicContact CG2-CE1 4Å; I253-F277 HydrophobicContact CG2-CZ 4.34Å; L273-F277 HydrophobicContact CB-CD2 4.4Å; L273-F277 HydrophobicContact CB-CE2 3.93Å; L273-F277 HydrophobicContact CD2-CZ 4.36Å; L273-F277 WeakPolarHBondContact O-CD2 3.49Å; L273-F277 VanDerWaalsContact O-CG 3.3Å; L273-F277 WeakPolarHBondContact O-CG 3.36Å; L273-F277 PolarHBondContact O-N 3.42Å; G274-F277 PolarHBondContact O-N 2.94Å; F277-Q280 WeakPolarHBondContact O-CB 3.18Å; F277-Q280 PolarHBondContact O-N 3.37Å; F277-K281 PolarHBondContact O-N 3.04Å
278	Y	90.9	Very high	87.2	Confident	126 Å²	126	60.9 Å²	60.9	49%	0.494	33%	0.325	S	S	.	.	H	α-helix	trans	-58.7	-50	171	174.2	-95.4	0	0	0	111.2	I230 G274 S275 L276 Q280 K281 L282	I230-Y278 HydrophobicContact CD1-CE1 4.09Å; G274-Y278 PolarHBondContact O-N 3.43Å; S275-Y278 WeakPolarHBondContact O-CB 3.21Å; S275-Y278 PolarHBondContact O-N 3.25Å; L276-Y278 VanDerWaalsContact C-N 3.35Å; Y278-Q280 VanDerWaalsContact C-N 3.28Å; Y278-Q280 PolarHBondContact O-N 3.33Å; Y278-K281 PolarHBondContact O-N 3.45Å; Y278-L282 HydrophobicContact CE1-CD1 4.19Å; Y278-L282 WeakPolarHBondContact O-CB 3.37Å; Y278-L282 PolarHBondContact O-N 3.26Å
279	L	91.5	Very high	87.5	Confident	29 Å²	29	62.7 Å²	62.7	15%	0.152	33%	0.325	C	S	.	.	H	α-helix	trans	-60.8	-38.3	175.8	-69.9	174.5	0	0	0	112.1	F229 I230 L233 L249 S275 L276 K281 L282 I283	F229-L279 HydrophobicContact CE1-CD1 4.27Å; F229-L279 HydrophobicContact CE1-CD2 4.4Å; I230-L279 HydrophobicContact CG1-CD2 4.02Å; L233-L279 HydrophobicContact CD1-CD2 4.26Å; L249-L279 HydrophobicContact CD1-CB 4.28Å; L249-L279 HydrophobicContact CD2-CB 3.94Å; S275-L279 PolarHBondContact O-N 3.27Å; S275-L279 VanDerWaalsContact O-N 3.16Å; L276-L279 PolarHBondContact O-N 3.44Å; L279-K281 PolarHBondContact O-N 3.5Å; L279-L282 PolarHBondContact O-N 2.97Å; L279-I283 WeakPolarHBondContact O-CG1 3.49Å; L279-I283 PolarHBondContact O-N 2.8Å
280	Q	93.1	Very high	87.7	Confident	66 Å²	66	65.3 Å²	65.3	31%	0.308	34%	0.339	S	S	.	.	H	α-helix	trans	-61.6	-46.6	177.9	-173	-179.5	35.2	0	0	110.8	M246 L249 L276 F277 Y278 L282 A284	M246-Q280 HydrophobicContact CE-CG 4.06Å; M246-Q280 WeakPolarHBondContact CE-O 3.36Å; M246-Q280 HydrophobicContact SD-CG 3.94Å; L249-Q280 VanDerWaalsContact CD2-CA 3.49Å; L249-Q280 HydrophobicContact CD2-CB 3.81Å; L276-Q280 WeakPolarHBondContact O-CB 3.22Å; L276-Q280 PolarHBondContact O-N 3.12Å; F277-Q280 WeakPolarHBondContact O-CB 3.18Å; F277-Q280 PolarHBondContact O-N 3.37Å; Y278-Q280 VanDerWaalsContact C-N 3.28Å; Y278-Q280 PolarHBondContact O-N 3.33Å; Q280-L282 VanDerWaalsContact C-N 3.35Å; Q280-A284 VanDerWaalsContact O-CB 3.26Å; Q280-A284 WeakPolarHBondContact O-CB 3.39Å; Q280-A284 PolarHBondContact O-N 3.44Å
281	K	93.1	Very high	87.5	Confident	168 Å²	168	68 Å²	68	73%	0.73	35%	0.353	S	S	*	.	H	α-helix	trans	-63.3	-41.8	177.3	-172.2	-179.7	179.3	-176	0	111.6	F277 Y278 L279 G285	F277-K281 PolarHBondContact O-N 3.04Å; Y278-K281 PolarHBondContact O-N 3.45Å; L279-K281 PolarHBondContact O-N 3.5Å; K281-G285 PolarHBondContact O-N 2.91Å
282	L	91.2	Very high	87	Confident	25 Å²	25	65 Å²	65	13%	0.131	34%	0.344	C	S	.	.	H	α-helix	trans	-60.7	-53.4	178.2	-177.2	131	0	0	0	111.5	I230 L233 E234 Y278 L279 Q280 A284 G285 R286	I230-L282 HydrophobicContact CG2-CD1 3.99Å; L233-L282 HydrophobicContact CB-CD2 3.72Å; L233-L282 HydrophobicContact CD1-CD2 4.26Å; E234-L282 HydrophobicContact CG-CD1 3.87Å; E234-L282 HydrophobicContact CG-CD2 4.37Å; E234-L282 HydrophobicContact CG-CG 4.42Å; E234-L282 WeakPolarHBondContact OE1-CD1 3.4Å; Y278-L282 HydrophobicContact CE1-CD1 4.19Å; Y278-L282 WeakPolarHBondContact O-CB 3.37Å; Y278-L282 PolarHBondContact O-N 3.26Å; L279-L282 PolarHBondContact O-N 2.97Å; Q280-L282 VanDerWaalsContact C-N 3.35Å; L282-A284 VanDerWaalsContact C-N 3.35Å; L282-A284 PolarHBondContact O-N 2.91Å; L282-G285 PolarHBondContact O-N 3.39Å; L282-R286 WeakPolarHBondContact O-CG 3.38Å; L282-R286 PolarHBondContact O-N 3.33Å
283	I	92.7	Very high	85.4	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.005	37%	0.371	C	S	.	.	H	α-helix	trans	-62.8	-42.2	179.9	-63.9	169.3	0	0	0	110.9	L233 L242 T245 M246 L249 L279 G285 R286 L287	L233-I283 HydrophobicContact CD1-CD1 4.24Å; L233-I283 HydrophobicContact CD1-CG1 4.21Å; L242-I283 HydrophobicContact CB-CG2 3.97Å; L242-I283 HydrophobicContact CD2-CG2 4.13Å; L242-I283 WeakPolarHBondContact O-CG2 3.33Å; T245-I283 HydrophobicContact CG2-CD1 3.83Å; M246-I283 HydrophobicContact CB-CG2 4.17Å; M246-I283 HydrophobicContact CE-CB 3.68Å; M246-I283 HydrophobicContact CE-CG2 3.61Å; L249-I283 HydrophobicContact CD2-CD1 4.12Å; L279-I283 WeakPolarHBondContact O-CG1 3.49Å; L279-I283 PolarHBondContact O-N 2.8Å; I283-G285 PolarHBondContact O-N 2.98Å; I283-R286 PolarHBondContact O-N 3.39Å; I283-L287 HydrophobicContact CG2-CD1 4.03Å; I283-L287 HydrophobicContact CG2-CG 4.49Å; I283-L287 PolarHBondContact O-N 2.69Å
284	A	91.2	Very high	83.3	Confident	49 Å²	49	71.9 Å²	71.9	41%	0.405	39%	0.393	S	S	.	.	H	α-helix	trans	-61.5	-42.6	176.7	0	0	0	0	0	112.1	M246 Q280 L282 R286 L287 S288	M246-A284 HydrophobicContact CE-CB 4.42Å; Q280-A284 VanDerWaalsContact O-CB 3.26Å; Q280-A284 WeakPolarHBondContact O-CB 3.39Å; Q280-A284 PolarHBondContact O-N 3.44Å; L282-A284 VanDerWaalsContact C-N 3.35Å; L282-A284 PolarHBondContact O-N 2.91Å; A284-R286 PolarHBondContact O-N 2.88Å; A284-L287 PolarHBondContact O-N 3.19Å; A284-S288 PolarHBondContact O-N 2.97Å
285	G	88.7	Confident	81.2	Confident	43 Å²	43	75.5 Å²	75.5	44%	0.443	41%	0.412	S	S	.	.	H	α-helix	trans	-62	-41.5	175.1	0	0	0	0	0	112.5	K281 L282 I283 S288 R289	K281-G285 PolarHBondContact O-N 2.91Å; L282-G285 PolarHBondContact O-N 3.39Å; I283-G285 PolarHBondContact O-N 2.98Å; G285-S288 PolarHBondContact O-N 3.2Å; G285-R289 PolarHBondContact O-N 2.92Å
286	R	89.3	Confident	78.8	Confident	33 Å²	33	75.6 Å²	75.6	13%	0.125	41%	0.413	C	S	.	.	H	α-helix	trans	-62.8	-47.6	175.5	-70.4	-54.9	-54.4	-152.3	-11.1	113	E234 T236 L242 L282 I283 A284 S288 R289 L290	E234-R286 PolarHBondContact O-NH1 3.27Å; E234-R286 PolarHBondContact O-NH2 3.29Å; T236-R286 PolarHBondContact O-NH2 3.3Å; L242-R286 HydrophobicContact CD1-CB 3.8Å; L242-R286 HydrophobicContact CD2-CB 4.3Å; L282-R286 WeakPolarHBondContact O-CG 3.38Å; L282-R286 PolarHBondContact O-N 3.33Å; I283-R286 PolarHBondContact O-N 3.39Å; A284-R286 PolarHBondContact O-N 2.88Å; R286-S288 VanDerWaalsContact C-N 3.31Å; R286-S288 PolarHBondContact O-N 2.69Å; R286-R289 VanDerWaalsContact NH2-NH2 3.2Å; R286-R289 PolarHBondContact O-N 3.3Å; R286-R289 VanDerWaalsContact O-N 3.16Å; R286-L290 PolarHBondContact O-N 3.01Å
287	L	89.3	Confident	76.1	Confident	26 Å²	26	81.7 Å²	81.7	14%	0.136	45%	0.445	C	S	.	.	H	α-helix	trans	-60.2	-42	176.7	-77.5	168.1	0	0	0	111.6	A239 L242 N243 I283 A284 R289 L290 Q291	A239-L287 HydrophobicContact CB-CD2 4.22Å; L242-L287 HydrophobicContact CB-CD1 4.34Å; L242-L287 HydrophobicContact CB-CD2 3.76Å; L242-L287 HydrophobicContact CB-CG 3.91Å; L242-L287 HydrophobicContact CD1-CD2 4.02Å; L242-L287 HydrophobicContact CD1-CG 4.1Å; N243-L287 WeakPolarHBondContact OD1-CD1 3.46Å; I283-L287 HydrophobicContact CG2-CD1 4.03Å; I283-L287 HydrophobicContact CG2-CG 4.49Å; I283-L287 PolarHBondContact O-N 2.69Å; A284-L287 PolarHBondContact O-N 3.19Å; L287-R289 VanDerWaalsContact C-N 3.32Å; L287-R289 PolarHBondContact O-N 2.87Å; L287-L290 PolarHBondContact O-N 3.1Å; L287-Q291 WeakPolarHBondContact O-CG 3.47Å; L287-Q291 PolarHBondContact O-N 3.12Å
288	S	88.5	Confident	73.4	Confident	63 Å²	63	85.3 Å²	85.3	44%	0.441	47%	0.467	S	S	.	.	H	α-helix	trans	-59.6	-43.4	175	-171.1	0	0	0	0	111.5	A284 G285 R286 L290 Q291 T292	A284-S288 PolarHBondContact O-N 2.97Å; G285-S288 PolarHBondContact O-N 3.2Å; R286-S288 VanDerWaalsContact C-N 3.31Å; R286-S288 PolarHBondContact O-N 2.69Å; S288-L290 VanDerWaalsContact C-N 3.34Å; S288-L290 PolarHBondContact O-N 2.7Å; S288-Q291 PolarHBondContact O-N 3.35Å; S288-Q291 VanDerWaalsContact O-N 3.16Å; S288-T292 PolarHBondContact O-N 3.43Å; S288-T292 PolarHBondContact O-OG1 3.49Å; S288-T292 VanDerWaalsContact O-OG1 3.07Å
289	R	81.9	Confident	70.7	Confident	133 Å²	133	88.4 Å²	88.4	50%	0.502	49%	0.487	S	S	.	.	H	α-helix	trans	-68.3	-29.4	-179.9	-162.5	178.5	76.1	159.9	20.4	113.5	G285 R286 L287 Q291	G285-R289 PolarHBondContact O-N 2.92Å; R286-R289 VanDerWaalsContact NH2-NH2 3.2Å; R286-R289 PolarHBondContact O-N 3.3Å; R286-R289 VanDerWaalsContact O-N 3.16Å; L287-R289 VanDerWaalsContact C-N 3.32Å; L287-R289 PolarHBondContact O-N 2.87Å; R289-Q291 VanDerWaalsContact C-N 3.3Å
290	L	80.3	Confident	68	Low	70 Å²	70	91.5 Å²	91.5	37%	0.366	52%	0.516	S	S	.	.	H	α-helix	trans	-73.4	-24.4	173.7	-68.5	173	0	0	0	112.3	D237 L242 R286 L287 S288	D237-L290 HydrophobicContact CB-CD2 4.25Å; L242-L290 HydrophobicContact CD1-CD1 3.7Å; R286-L290 PolarHBondContact O-N 3.01Å; L287-L290 PolarHBondContact O-N 3.1Å; S288-L290 VanDerWaalsContact C-N 3.34Å; S288-L290 PolarHBondContact O-N 2.7Å
291	Q	75	Confident	65.4	Low	166 Å²	166	91.1 Å²	91.1	78%	0.776	53%	0.53	S	S	*	.	H	α-helix	trans	-84.6	-37.2	177.1	-69.5	176.6	-15.3	0	0	112.6	L287 S288 R289	L287-Q291 WeakPolarHBondContact O-CG 3.47Å; L287-Q291 PolarHBondContact O-N 3.12Å; S288-Q291 PolarHBondContact O-N 3.35Å; S288-Q291 VanDerWaalsContact O-N 3.16Å; R289-Q291 VanDerWaalsContact C-N 3.3Å
292	T	66.8	Low	62.9	Low	70 Å²	70	89.7 Å²	89.7	43%	0.429	53%	0.531	S	S	.	.	S	Bend	trans	-90.7	109.7	175	57.1	0	0	0	0	108.6	S288 D294	S288-T292 PolarHBondContact O-N 3.43Å; S288-T292 PolarHBondContact O-OG1 3.49Å; S288-T292 VanDerWaalsContact O-OG1 3.07Å; T292-D294 PolarHBondContact O-N 3.27Å
293	S	49.1	Very low	60.8	Low	131 Å²	131	90.6 Å²	90.6	92%	0.916	55%	0.545	S	S	*	.			trans	-64.9	18	177.2	-161	0	0	0	0	114.3
294	D	38.8	Very low	59	Low	101 Å²	101	94 Å²	94	54%	0.54	56%	0.558	S	S	.	*			trans	-99.1	105.7	-170	-138	-19.5	0	0	0	109.7	T292 S296	T292-D294 PolarHBondContact O-N 3.27Å; D294-S296 PolarHBondContact O-N 2.65Å; D294-S296 WeakPolarHBondContact OD1-CB 3.25Å; D294-S296 PolarHBondContact OD1-OG 3.09Å
295	S	43	Very low	57.3	Low	116 Å²	116	96.8 Å²	96.8	81%	0.811	56%	0.563	S	S	*	*			trans	-81.6	10.2	175	48	0	0	0	0	113.1	L297	S295-L297 PolarHBondContact O-N 3.27Å
296	S	37	Very low	55.7	Low	71 Å²	71	100.9 Å²	100.9	50%	0.497	58%	0.575	S	S	.	*	G	3₁₀ helix	trans	-91	7.3	-166.4	56.9	0	0	0	0	115.9	D294	D294-S296 PolarHBondContact O-N 2.65Å; D294-S296 WeakPolarHBondContact OD1-CB 3.25Å; D294-S296 PolarHBondContact OD1-OG 3.09Å
297	L	34	Very low	54	Low	155 Å²	155	101.4 Å²	101.4	81%	0.812	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-94.6	10.9	-177.4	-73.4	176.5	0	0	0	116.2	S295 E299	S295-L297 PolarHBondContact O-N 3.27Å; L297-E299 VanDerWaalsContact C-N 3.3Å; L297-E299 PolarHBondContact O-N 3.02Å
298	D	35.7	Very low	52.4	Low	149 Å²	149	100.8 Å²	100.8	80%	0.797	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-82.8	3.1	176.3	-80.3	-11.2	0	0	0	114.5	A300	D298-A300 PolarHBondContact O-N 3.07Å
299	E	34.3	Very low	51	Low	192 Å²	192	102 Å²	102	90%	0.897	60%	0.596	S	S	*	*			trans	-84.1	54.9	172.6	-65.8	-166.7	178.8	0	0	112.4	L297 G301	L297-E299 VanDerWaalsContact C-N 3.3Å; L297-E299 PolarHBondContact O-N 3.02Å; E299-G301 PolarHBondContact O-N 3.31Å
300	A	34.9	Very low	49.9	Very low	94 Å²	94	100.7 Å²	100.7	78%	0.777	60%	0.597	S	S	*	*			trans	-87.1	89.4	170.8	0	0	0	0	0	111	D298	D298-A300 PolarHBondContact O-N 3.07Å
301	G	38.6	Very low	49.3	Very low	58 Å²	58	101.5 Å²	101.5	60%	0.598	60%	0.595	S	S	*	*			trans	83.5	126.8	140.6	0	0	0	0	0	117.9	E299 G303	E299-G301 PolarHBondContact O-N 3.31Å; G301-G303 PolarHBondContact O-N 2.95Å
302	D	41	Very low	49.3	Very low	138 Å²	138	99.5 Å²	99.5	74%	0.738	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	19.7	177.7	-118.2	-13.4	0	0	0	116.6
303	G	47.2	Very low	49.8	Very low	43 Å²	43	97.3 Å²	97.3	44%	0.443	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.1	-5.5	-175.3	0	0	0	0	0	115.9	G301 Q305	G301-G303 PolarHBondContact O-N 2.95Å; G303-Q305 VanDerWaalsContact C-N 3.26Å; G303-Q305 PolarHBondContact O-N 3.45Å
304	W	53.8	Low	51.3	Low	72 Å²	72	93.2 Å²	93.2	27%	0.273	55%	0.547	S	S	.	.	H	α-helix	trans	-69.9	-23.2	-174.8	65.3	-96.1	0	0	0	113.3	D306 C307 A308 R449 P451 V454	W304-D306 VanDerWaalsContact C-N 3.3Å; W304-D306 PolarHBondContact O-N 3.31Å; W304-C307 WeakPolarHBondContact O-CB 3.46Å; W304-C307 PolarHBondContact O-N 3.45Å; W304-A308 PolarHBondContact O-N 2.86Å; W304-R449 WeakPolarHBondContact CH2-O 3.4Å; W304-R449 WeakPolarHBondContact CZ3-O 3.15Å; W304-P451 HydrophobicContact CD2-CG 4.26Å; W304-P451 HydrophobicContact CH2-CG 4.31Å; W304-P451 HydrophobicContact CZ2-CG 3.95Å; W304-V454 HydrophobicContact CB-CG1 4.42Å; W304-V454 HydrophobicContact CB-CG2 4.19Å; W304-V454 HydrophobicContact CE3-CG2 3.88Å; W304-V454 WeakPolarHBondContact O-CG2 3.32Å
305	Q	55.4	Low	53.5	Low	108 Å²	108	88.4 Å²	88.4	51%	0.505	52%	0.521	S	S	.	.	H	α-helix	trans	-63.1	-35.9	-178.8	-67.1	166.1	6.3	0	0	112	G303	G303-Q305 VanDerWaalsContact C-N 3.26Å; G303-Q305 PolarHBondContact O-N 3.45Å
306	D	56.5	Low	55.1	Low	130 Å²	130	84 Å²	84	70%	0.695	49%	0.492	S	S	*	.	H	α-helix	trans	-68.9	-37.5	176.6	-70.7	-29.4	0	0	0	111.8	W304 A309	W304-D306 VanDerWaalsContact C-N 3.3Å; W304-D306 PolarHBondContact O-N 3.31Å; D306-A309 PolarHBondContact O-N 3.43Å
307	C	54	Low	56.9	Low	44 Å²	44	83.8 Å²	83.8	30%	0.297	48%	0.482	S	S	.	.	H	α-helix	trans	-65.6	-39.2	177.5	-65.4	0	0	0	0	112.3	W304 A309 M310 V454 L463	W304-C307 WeakPolarHBondContact O-CB 3.46Å; W304-C307 PolarHBondContact O-N 3.45Å; C307-A309 PolarHBondContact O-N 2.84Å; C307-M310 WeakPolarHBondContact O-CB 3.17Å; C307-M310 PolarHBondContact O-N 3.14Å; C307-V454 HydrophobicContact CB-CG1 4.09Å; C307-L463 HydrophobicContact CB-CD2 4.09Å
308	A	55.5	Low	59	Low	13 Å²	13	76.4 Å²	76.4	11%	0.107	44%	0.443	C	S	.	.	H	α-helix	trans	-63.1	-30.9	179.4	0	0	0	0	0	112.6	W304 M310 Y453 V454	W304-A308 PolarHBondContact O-N 2.86Å; A308-M310 VanDerWaalsContact C-N 3.29Å; A308-M310 PolarHBondContact O-N 2.86Å; A308-Y453 HydrophobicContact CB-CD1 4.3Å; A308-V454 HydrophobicContact CB-CG2 3.81Å
309	A	58.9	Low	60.9	Low	89 Å²	89	69.8 Å²	69.8	74%	0.736	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-13.1	-180	0	0	0	0	0	114	D306 C307	D306-A309 PolarHBondContact O-N 3.43Å; C307-A309 PolarHBondContact O-N 2.84Å
310	M	59	Low	62.3	Low	105 Å²	105	63 Å²	63	52%	0.517	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-30.1	-175.6	-68.9	-176.6	65	0	0	113.7	C307 A308	C307-M310 WeakPolarHBondContact O-CB 3.17Å; C307-M310 PolarHBondContact O-N 3.14Å; A308-M310 VanDerWaalsContact C-N 3.29Å; A308-M310 PolarHBondContact O-N 2.86Å
311	Y	66.7	Low	63.9	Low	86 Å²	86	60 Å²	60	34%	0.337	35%	0.352	S	S	.	.			trans	-133.3	116	-175.4	-68.1	-84.1	0	0	0	109.9	Y453 L457 L462	Y311-Y453 WeakPolarHBondContact O-CE1 3.45Å; Y311-Y453 PolarHBondContact O-OH 3.37Å; Y311-Y453 VanDerWaalsContact O-OH 3.05Å; Y311-L457 HydrophobicContact CG-CD2 4.44Å; Y311-L462 HydrophobicContact CD2-CB 4.3Å; Y311-L462 HydrophobicContact CE1-CD2 4.47Å; Y311-L462 HydrophobicContact CE2-CB 4.28Å; Y311-L462 VanDerWaalsContact CE2-O 3.24Å; Y311-L462 WeakPolarHBondContact CE2-O 3.34Å; Y311-L462 HydrophobicContact CG-CB 4.49Å; Y311-L462 PolarHBondContact OH-O 3.36Å
312	D	74.5	Confident	65.4	Low	125 Å²	125	57.9 Å²	57.9	67%	0.668	33%	0.326	S	S	*	.			trans	-101.6	90	175.1	-168.3	29.3	0	0	0	109.7	K448	D312-K448 VanDerWaalsContact OD1-CD 3.25Å; D312-K448 WeakPolarHBondContact OD1-CD 3.49Å; D312-K448 IonicContact OD1-NZ 2.81Å; D312-K448 PolarHBondContact OD1-NZ 3.33Å; D312-K448 IonicContact OD2-NZ 2.74Å
313	L	77.6	Confident	66.8	Low	23 Å²	23	51.5 Å²	51.5	12%	0.12	29%	0.293	C	S	.	.			trans	-68.9	142.3	172.2	-57.5	173.4	0	0	0	109.7	F317 V318 Y444 Y453 L456 L457 L460 L462	L313-F317 HydrophobicContact CB-CD1 4.05Å; L313-F317 HydrophobicContact CD1-CD1 3.97Å; L313-F317 HydrophobicContact CD1-CE1 3.84Å; L313-F317 HydrophobicContact CD2-CD1 3.84Å; L313-F317 HydrophobicContact CD2-CE1 3.85Å; L313-F317 HydrophobicContact CD2-CG 4.41Å; L313-F317 HydrophobicContact CD2-CZ 4.41Å; L313-F317 HydrophobicContact CG-CD1 4.17Å; L313-F317 HydrophobicContact CG-CE1 4.34Å; L313-V318 HydrophobicContact CB-CG2 4.34Å; L313-Y444 VanDerWaalsContact C-OH 3.27Å; L313-Y444 PolarHBondContact O-OH 3.32Å; L313-Y453 HydrophobicContact CB-CE2 4.44Å; L313-Y453 VanDerWaalsContact CB-OH 3.26Å; L313-Y453 WeakPolarHBondContact CB-OH 3.49Å; L313-Y453 HydrophobicContact CD1-CE2 4.12Å; L313-Y453 WeakPolarHBondContact CG-OH 3.16Å; L313-Y453 PolarHBondContact N-OH 2.83Å; L313-L456 HydrophobicContact CD1-CD2 4.36Å; L313-L457 HydrophobicContact CD1-CD2 3.93Å; L313-L457 HydrophobicContact CG-CD2 4.32Å; L313-L460 HydrophobicContact CD1-CD1 4.05Å; L313-L462 HydrophobicContact CD2-CD1 4.25Å
314	S	81.9	Confident	68.2	Low	46 Å²	46	49.5 Å²	49.5	32%	0.322	27%	0.272	S	S	.	.			trans	-75.6	153.3	171.2	64.5	0	0	0	0	110.8	A316 F317 V318 Y444	S314-A316 PolarHBondContact O-N 2.85Å; S314-F317 WeakPolarHBondContact O-CB 3.37Å; S314-F317 PolarHBondContact O-N 3.17Å; S314-F317 VanDerWaalsContact O-N 3.14Å; S314-F317 WeakPolarHBondContact OG-CB 3.06Å; S314-F317 PolarHBondContact OG-N 3.47Å; S314-V318 PolarHBondContact O-N 3.46Å; S314-V318 VanDerWaalsContact O-N 3.1Å; S314-Y444 PolarHBondContact O-OH 2.78Å
315	L	84.5	Confident	69.3	Low	0 Å²	0	46 Å²	46	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.2	-38.4	172.4	176.7	63.5	0	0	0	110.2	F317 V318 L319 F328 Y434 L437 E438 Y444	L315-F317 VanDerWaalsContact C-N 3.31Å; L315-F317 PolarHBondContact O-N 3.05Å; L315-V318 CarbonylContact O-C 3.59Å; L315-V318 WeakPolarHBondContact O-CA 3.39Å; L315-V318 WeakPolarHBondContact O-CB 3.47Å; L315-V318 PolarHBondContact O-N 3.13Å; L315-L319 HydrophobicContact CD1-CD1 4.42Å; L315-L319 HydrophobicContact CD1-CD2 4.17Å; L315-L319 HydrophobicContact CD1-CG 4.02Å; L315-L319 HydrophobicContact CD2-CD1 4.49Å; L315-L319 HydrophobicContact CG-CD1 4.08Å; L315-L319 HydrophobicContact CG-CG 4.1Å; L315-L319 WeakPolarHBondContact O-CG 3.49Å; L315-L319 PolarHBondContact O-N 3.49Å; L315-F328 HydrophobicContact CD1-CD1 4.17Å; L315-F328 HydrophobicContact CD1-CE1 3.58Å; L315-F328 HydrophobicContact CD1-CZ 4.05Å; L315-Y434 HydrophobicContact CB-CE2 4.33Å; L315-Y434 HydrophobicContact CD2-CD2 4.1Å; L315-Y434 HydrophobicContact CD2-CE1 4.47Å; L315-Y434 HydrophobicContact CD2-CE2 3.84Å; L315-Y434 HydrophobicContact CG-CE2 3.91Å; L315-L437 HydrophobicContact CD2-CB 3.82Å; L315-E438 HydrophobicContact CB-CG 4.29Å; L315-E438 HydrophobicContact CD2-CB 3.7Å; L315-E438 HydrophobicContact CD2-CG 4.35Å; L315-Y444 HydrophobicContact CB-CD1 3.96Å; L315-Y444 HydrophobicContact CB-CD2 4.39Å; L315-Y444 HydrophobicContact CB-CE1 3.99Å; L315-Y444 HydrophobicContact CB-CE2 4.43Å; L315-Y444 HydrophobicContact CB-CG 4.17Å; L315-Y444 HydrophobicContact CD1-CD2 3.7Å; L315-Y444 HydrophobicContact CD1-CE2 4.07Å; L315-Y444 HydrophobicContact CD1-CG 4.04Å
316	A	76.4	Confident	70.3	Confident	23 Å²	23	42.3 Å²	42.3	19%	0.19	24%	0.244	C	C	.	.	H	α-helix	trans	-52.6	-46	172.9	0	0	0	0	0	112.6	S314 V318 L319 C320 Y434	S314-A316 PolarHBondContact O-N 2.85Å; A316-V318 PolarHBondContact O-N 2.93Å; A316-L319 PolarHBondContact O-N 3.27Å; A316-C320 WeakPolarHBondContact O-CB 3.07Å; A316-C320 PolarHBondContact O-N 2.85Å; A316-C320 PolarHBondContact O-SG 3.39Å; A316-Y434 PolarHBondContact N-OH 2.88Å; A316-Y434 VanDerWaalsContact N-OH 3.14Å
317	F	74.1	Confident	71.5	Confident	66 Å²	66	37 Å²	37	29%	0.289	22%	0.218	S	C	.	.	H	α-helix	trans	-60.8	-45.6	174.2	175.5	-89.7	0	0	0	111.5	L313 S314 L315 L319 C320 N321 A324 L460	L313-F317 HydrophobicContact CB-CD1 4.05Å; L313-F317 HydrophobicContact CD1-CD1 3.97Å; L313-F317 HydrophobicContact CD1-CE1 3.84Å; L313-F317 HydrophobicContact CD2-CD1 3.84Å; L313-F317 HydrophobicContact CD2-CE1 3.85Å; L313-F317 HydrophobicContact CD2-CG 4.41Å; L313-F317 HydrophobicContact CD2-CZ 4.41Å; L313-F317 HydrophobicContact CG-CD1 4.17Å; L313-F317 HydrophobicContact CG-CE1 4.34Å; S314-F317 WeakPolarHBondContact O-CB 3.37Å; S314-F317 PolarHBondContact O-N 3.17Å; S314-F317 VanDerWaalsContact O-N 3.14Å; S314-F317 WeakPolarHBondContact OG-CB 3.06Å; S314-F317 PolarHBondContact OG-N 3.47Å; L315-F317 VanDerWaalsContact C-N 3.31Å; L315-F317 PolarHBondContact O-N 3.05Å; F317-L319 VanDerWaalsContact C-N 3.32Å; F317-L319 PolarHBondContact O-N 3.3Å; F317-C320 PolarHBondContact O-N 3.32Å; F317-C320 VanDerWaalsContact O-N 3.08Å; F317-N321 HydrophobicContact CD1-CB 4.42Å; F317-N321 HydrophobicContact CE1-CB 3.97Å; F317-N321 HydrophobicContact CZ-CB 4.03Å; F317-N321 WeakPolarHBondContact O-CB 3.33Å; F317-N321 PolarHBondContact O-N 3.38Å; F317-A324 HydrophobicContact CE1-CB 4.44Å; F317-L460 HydrophobicContact CE1-CD1 3.89Å; F317-L460 HydrophobicContact CZ-CD1 4.25Å
318	V	78	Confident	73.1	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-40.4	-179.7	172.2	0	0	0	0	111.7	L313 S314 L315 A316 C320 A324 L325 F328 Y444	L313-V318 HydrophobicContact CB-CG2 4.34Å; S314-V318 PolarHBondContact O-N 3.46Å; S314-V318 VanDerWaalsContact O-N 3.1Å; L315-V318 CarbonylContact O-C 3.59Å; L315-V318 WeakPolarHBondContact O-CA 3.39Å; L315-V318 WeakPolarHBondContact O-CB 3.47Å; L315-V318 PolarHBondContact O-N 3.13Å; A316-V318 PolarHBondContact O-N 2.93Å; V318-C320 VanDerWaalsContact C-N 3.29Å; V318-C320 PolarHBondContact O-N 3Å; V318-A324 HydrophobicContact CB-CB 4.18Å; V318-A324 HydrophobicContact CG1-CB 4.06Å; V318-A324 HydrophobicContact CG2-CB 4.15Å; V318-L325 WeakPolarHBondContact O-CA 3.31Å; V318-L325 WeakPolarHBondContact O-CB 3.27Å; V318-L325 PolarHBondContact O-N 3.34Å; V318-L325 VanDerWaalsContact O-N 3.13Å; V318-F328 HydrophobicContact CG1-CB 3.63Å; V318-F328 HydrophobicContact CG1-CD1 4.04Å; V318-F328 HydrophobicContact CG1-CG 3.96Å; V318-Y444 HydrophobicContact CB-CE2 4.28Å; V318-Y444 HydrophobicContact CG1-CE2 4.5Å; V318-Y444 HydrophobicContact CG2-CE2 3.82Å; V318-Y444 WeakPolarHBondContact CG2-OH 3.34Å
319	L	75.4	Confident	74.4	Confident	10 Å²	10	34.5 Å²	34.5	5%	0.052	20%	0.199	C	C	.	.	H	α-helix	trans	-70.8	-24.5	175.8	-61.5	-177.1	0	0	0	113	L315 A316 F317 L325 I341 Y344 Y434	L315-L319 HydrophobicContact CD1-CD1 4.42Å; L315-L319 HydrophobicContact CD1-CD2 4.17Å; L315-L319 HydrophobicContact CD1-CG 4.02Å; L315-L319 HydrophobicContact CD2-CD1 4.49Å; L315-L319 HydrophobicContact CG-CD1 4.08Å; L315-L319 HydrophobicContact CG-CG 4.1Å; L315-L319 WeakPolarHBondContact O-CG 3.49Å; L315-L319 PolarHBondContact O-N 3.49Å; A316-L319 PolarHBondContact O-N 3.27Å; F317-L319 VanDerWaalsContact C-N 3.32Å; F317-L319 PolarHBondContact O-N 3.3Å; L319-L325 HydrophobicContact CD2-CD1 3.68Å; L319-I341 HydrophobicContact CD2-CD1 3.37Å; L319-Y344 HydrophobicContact CD1-CD1 4.3Å; L319-Y344 HydrophobicContact CD1-CE1 3.78Å; L319-Y344 HydrophobicContact CD1-CE2 4.45Å; L319-Y434 HydrophobicContact CD1-CD2 3.62Å; L319-Y434 HydrophobicContact CD1-CE2 3.67Å
320	C	65.6	Low	75.5	Confident	50 Å²	50	34.7 Å²	34.7	34%	0.338	19%	0.188	S	C	.	.	H	α-helix	trans	-90.2	-27	-179.3	-70.5	0	0	0	0	114.2	A316 F317 V318	A316-C320 WeakPolarHBondContact O-CB 3.07Å; A316-C320 PolarHBondContact O-N 2.85Å; A316-C320 PolarHBondContact O-SG 3.39Å; F317-C320 PolarHBondContact O-N 3.32Å; F317-C320 VanDerWaalsContact O-N 3.08Å; V318-C320 VanDerWaalsContact C-N 3.29Å; V318-C320 PolarHBondContact O-N 3Å
321	N	67.1	Low	76.9	Confident	32 Å²	32	32.6 Å²	32.6	17%	0.171	17%	0.174	C	C	.	.	S	Bend	trans	-95.4	122.1	179.8	-178.8	-59.3	0	0	0	110.5	F317 V323 A324 L325	F317-N321 HydrophobicContact CD1-CB 4.42Å; F317-N321 HydrophobicContact CE1-CB 3.97Å; F317-N321 HydrophobicContact CZ-CB 4.03Å; F317-N321 WeakPolarHBondContact O-CB 3.33Å; F317-N321 PolarHBondContact O-N 3.38Å; N321-V323 PolarHBondContact O-N 3.12Å; N321-V323 WeakPolarHBondContact OD1-CB 3.49Å; N321-V323 PolarHBondContact OD1-N 3Å; N321-A324 HydrophobicContact CB-CB 3.85Å; N321-A324 PolarHBondContact O-N 2.57Å; N321-A324 PolarHBondContact OD1-N 2.72Å; N321-A324 VanDerWaalsContact OD1-N 3.11Å; N321-L325 WeakPolarHBondContact O-CB 3.41Å; N321-L325 PolarHBondContact O-N 2.73Å
322	H	70.1	Confident	78	Confident	12 Å²	12	28.5 Å²	28.5	6%	0.056	16%	0.158	C	C	.	.	H	α-helix	trans	-58.1	-44.6	-174.9	173.2	64.5	0	0	0	113.4	L325 C326 I727 F815 I816	H322-L325 PolarHBondContact O-N 3.48Å; H322-C326 PolarHBondContact CE1-SG 3.11Å; H322-C326 PolarHBondContact O-N 3.49Å; H322-C326 PolarHBondContact O-SG 2.88Å; H322-I727 WeakPolarHBondContact CE1-CG2 3.2Å; H322-F815 WeakPolarHBondContact CB-O 3.43Å; H322-F815 PolarHBondContact CD2-O 3Å; H322-F815 VanDerWaalsContact CG-O 3.26Å; H322-I816 PolarHBondContact CD2-O 3.24Å; H322-I816 VanDerWaalsContact CD2-O 3.29Å; H322-I816 PolarHBondContact NE2-O 3.47Å
323	V	70	Confident	78.4	Confident	5 Å²	5	25.7 Å²	25.7	3%	0.03	15%	0.149	C	C	.	.	H	α-helix	trans	-65.4	-42.9	-179.7	-177.4	0	0	0	0	110.6	N321 C326 S327 L456 E459 L460 L814 G817	N321-V323 PolarHBondContact O-N 3.12Å; N321-V323 WeakPolarHBondContact OD1-CB 3.49Å; N321-V323 PolarHBondContact OD1-N 3Å; V323-C326 PolarHBondContact O-N 2.87Å; V323-S327 PolarHBondContact O-N 3.29Å; V323-S327 PolarHBondContact O-OG 2.8Å; V323-L456 HydrophobicContact CB-CD1 4.48Å; V323-L456 HydrophobicContact CG1-CD1 3.92Å; V323-E459 HydrophobicContact CG1-CB 4.11Å; V323-E459 WeakPolarHBondContact CG1-OE2 3.17Å; V323-L460 HydrophobicContact CB-CD2 4.32Å; V323-L814 WeakPolarHBondContact CG2-O 3.27Å; V323-G817 VanDerWaalsContact CG2-CA 3.48Å
324	A	76.4	Confident	78.4	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.5	-43.8	176.8	0	0	0	0	0	112.3	F317 V318 N321 S327 F328 L456	F317-A324 HydrophobicContact CE1-CB 4.44Å; V318-A324 HydrophobicContact CB-CB 4.18Å; V318-A324 HydrophobicContact CG1-CB 4.06Å; V318-A324 HydrophobicContact CG2-CB 4.15Å; N321-A324 HydrophobicContact CB-CB 3.85Å; N321-A324 PolarHBondContact O-N 2.57Å; N321-A324 PolarHBondContact OD1-N 2.72Å; N321-A324 VanDerWaalsContact OD1-N 3.11Å; A324-S327 PolarHBondContact O-N 3.03Å; A324-F328 WeakPolarHBondContact O-CB 3.4Å; A324-F328 PolarHBondContact O-N 3.27Å; A324-L456 HydrophobicContact CB-CD1 3.88Å; A324-L456 HydrophobicContact CB-CD2 3.77Å; A324-L456 HydrophobicContact CB-CG 4.42Å
325	L	78.9	Confident	78.5	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.7	-43.8	177.7	-177.7	67.6	0	0	0	111.5	V318 L319 N321 H322 S327 F328 I329 I341 L345 W726	V318-L325 WeakPolarHBondContact O-CA 3.31Å; V318-L325 WeakPolarHBondContact O-CB 3.27Å; V318-L325 PolarHBondContact O-N 3.34Å; V318-L325 VanDerWaalsContact O-N 3.13Å; L319-L325 HydrophobicContact CD2-CD1 3.68Å; N321-L325 WeakPolarHBondContact O-CB 3.41Å; N321-L325 PolarHBondContact O-N 2.73Å; H322-L325 PolarHBondContact O-N 3.48Å; L325-S327 VanDerWaalsContact C-N 3.34Å; L325-S327 PolarHBondContact O-N 2.82Å; L325-F328 PolarHBondContact O-N 3.32Å; L325-I329 HydrophobicContact CD1-CD1 4.02Å; L325-I329 HydrophobicContact CD1-CG1 4.01Å; L325-I329 HydrophobicContact CD2-CD1 4.05Å; L325-I329 HydrophobicContact CG-CD1 3.67Å; L325-I329 HydrophobicContact CG-CG1 4.08Å; L325-I329 WeakPolarHBondContact O-CB 3.12Å; L325-I329 VanDerWaalsContact O-CG1 3.29Å; L325-I329 WeakPolarHBondContact O-CG1 3.49Å; L325-I329 PolarHBondContact O-N 3.38Å; L325-I341 HydrophobicContact CD1-CD1 4.1Å; L325-I341 HydrophobicContact CD1-CG1 4.37Å; L325-L345 HydrophobicContact CD1-CD1 4.37Å; L325-L345 HydrophobicContact CD1-CD2 4.43Å; L325-L345 HydrophobicContact CD2-CD1 4.08Å; L325-L345 HydrophobicContact CD2-CD2 3.96Å; L325-W726 HydrophobicContact CD2-CD2 4.24Å; L325-W726 HydrophobicContact CD2-CE3 3.45Å; L325-W726 VanDerWaalsContact CD2-CE3 3.45Å; L325-W726 HydrophobicContact CD2-CH2 3.28Å; L325-W726 HydrophobicContact CD2-CZ2 4.05Å; L325-W726 HydrophobicContact CD2-CZ3 2.98Å; L325-W726 HydrophobicContact CG-CZ3 4.39Å
326	C	76.4	Confident	78.3	Confident	30 Å²	30	38.6 Å²	38.6	20%	0.203	21%	0.21	C	C	.	.	H	α-helix	trans	-56.8	-50.5	175.9	-71.4	0	0	0	0	110.7	H322 V323 F328 I329 D330 I727	H322-C326 PolarHBondContact CE1-SG 3.11Å; H322-C326 PolarHBondContact O-N 3.49Å; H322-C326 PolarHBondContact O-SG 2.88Å; V323-C326 PolarHBondContact O-N 2.87Å; C326-F328 VanDerWaalsContact C-N 3.25Å; C326-F328 PolarHBondContact O-N 2.85Å; C326-I329 PolarHBondContact O-N 3.29Å; C326-D330 WeakPolarHBondContact O-CB 3.45Å; C326-D330 VanDerWaalsContact O-CG 3.29Å; C326-D330 PolarHBondContact O-N 2.79Å; C326-I727 VanDerWaalsContact SG-CD1 3.56Å
327	S	80.4	Confident	78.7	Confident	19 Å²	19	37.5 Å²	37.5	13%	0.133	20%	0.201	C	C	.	.	H	α-helix	trans	-58	-38.6	177.6	-60.7	0	0	0	0	112.4	V323 A324 L325 Y331	V323-S327 PolarHBondContact O-N 3.29Å; V323-S327 PolarHBondContact O-OG 2.8Å; A324-S327 PolarHBondContact O-N 3.03Å; L325-S327 VanDerWaalsContact C-N 3.34Å; L325-S327 PolarHBondContact O-N 2.82Å; S327-Y331 WeakPolarHBondContact O-CB 3.24Å; S327-Y331 PolarHBondContact O-N 3.34Å
328	F	88	Confident	79.2	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-74.2	-40.4	178.4	-173.8	-132.1	0	0	0	112.8	L315 V318 A324 L325 C326 D330 Y331 L332 L437 Y444 F447	L315-F328 HydrophobicContact CD1-CD1 4.17Å; L315-F328 HydrophobicContact CD1-CE1 3.58Å; L315-F328 HydrophobicContact CD1-CZ 4.05Å; V318-F328 HydrophobicContact CG1-CB 3.63Å; V318-F328 HydrophobicContact CG1-CD1 4.04Å; V318-F328 HydrophobicContact CG1-CG 3.96Å; A324-F328 WeakPolarHBondContact O-CB 3.4Å; A324-F328 PolarHBondContact O-N 3.27Å; L325-F328 PolarHBondContact O-N 3.32Å; C326-F328 VanDerWaalsContact C-N 3.25Å; C326-F328 PolarHBondContact O-N 2.85Å; F328-D330 VanDerWaalsContact C-N 3.33Å; F328-Y331 PolarHBondContact O-N 3.03Å; F328-L332 HydrophobicContact CD1-CD1 4Å; F328-L332 HydrophobicContact CD2-CD1 4.32Å; F328-L332 HydrophobicContact CD2-CG 4.11Å; F328-L332 HydrophobicContact CE1-CD1 3.59Å; F328-L332 HydrophobicContact CE1-CG 4.37Å; F328-L332 HydrophobicContact CE2-CD1 3.93Å; F328-L332 HydrophobicContact CE2-CD2 3.94Å; F328-L332 HydrophobicContact CE2-CG 3.82Å; F328-L332 HydrophobicContact CG-CD1 4.36Å; F328-L332 HydrophobicContact CZ-CD1 3.56Å; F328-L332 HydrophobicContact CZ-CD2 4.13Å; F328-L332 HydrophobicContact CZ-CG 3.98Å; F328-L332 WeakPolarHBondContact O-CB 3.34Å; F328-L332 VanDerWaalsContact O-CG 3.28Å; F328-L332 WeakPolarHBondContact O-CG 3.29Å; F328-L332 PolarHBondContact O-N 2.83Å; F328-L437 HydrophobicContact CZ-CD2 4.47Å; F328-Y444 HydrophobicContact CD2-CD2 4.38Å; F328-Y444 AromaticContact CE2-CD2 3.9Å; F328-Y444 HydrophobicContact CE2-CD2 3.9Å; F328-Y444 HydrophobicContact CZ-CD2 4Å; F328-F447 HydrophobicContact CB-CD1 4.48Å; F328-F447 HydrophobicContact CB-CE1 4.06Å; F328-F447 HydrophobicContact CB-CZ 4.18Å; F328-F447 HydrophobicContact CD2-CB 3.95Å; F328-F447 AromaticContact CD2-CD1 3.52Å; F328-F447 HydrophobicContact CD2-CD1 3.52Å; F328-F447 HydrophobicContact CD2-CD2 4.18Å; F328-F447 AromaticContact CD2-CE1 3.97Å; F328-F447 HydrophobicContact CD2-CE1 3.97Å; F328-F447 AromaticContact CD2-CG 3.62Å; F328-F447 HydrophobicContact CD2-CG 3.62Å; F328-F447 HydrophobicContact CD2-CZ 4.48Å; F328-F447 HydrophobicContact CE2-CB 3.91Å; F328-F447 HydrophobicContact CE2-CD1 4.12Å; F328-F447 HydrophobicContact CE2-CG 4.1Å; F328-F447 HydrophobicContact CG-CD1 4.32Å; F328-F447 HydrophobicContact CG-CE1 4.37Å
329	I	82.7	Confident	79.6	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.015	21%	0.207	C	C	.	.	H	α-helix	trans	-61.7	-43.8	174.3	-70.8	171.9	0	0	0	110.2	L325 C326 Y331 L332 S333 K338 I341 L345	L325-I329 HydrophobicContact CD1-CD1 4.02Å; L325-I329 HydrophobicContact CD1-CG1 4.01Å; L325-I329 HydrophobicContact CD2-CD1 4.05Å; L325-I329 HydrophobicContact CG-CD1 3.67Å; L325-I329 HydrophobicContact CG-CG1 4.08Å; L325-I329 WeakPolarHBondContact O-CB 3.12Å; L325-I329 VanDerWaalsContact O-CG1 3.29Å; L325-I329 WeakPolarHBondContact O-CG1 3.49Å; L325-I329 PolarHBondContact O-N 3.38Å; C326-I329 PolarHBondContact O-N 3.29Å; I329-Y331 VanDerWaalsContact C-N 3.35Å; I329-L332 CarbonylContact O-C 3.55Å; I329-L332 PolarHBondContact O-N 3.12Å; I329-S333 PolarHBondContact O-N 2.83Å; I329-K338 HydrophobicContact CG2-CD 4.28Å; I329-I341 HydrophobicContact CG1-CG1 4.25Å; I329-L345 HydrophobicContact CD1-CD1 3.81Å
330	D	82.6	Confident	80.3	Confident	93 Å²	93	38.5 Å²	38.5	50%	0.497	21%	0.207	S	C	.	.	H	α-helix	trans	-63	-42.8	177.8	-71.8	-14	0	0	0	110.9	C326 F328 S333	C326-D330 WeakPolarHBondContact O-CB 3.45Å; C326-D330 VanDerWaalsContact O-CG 3.29Å; C326-D330 PolarHBondContact O-N 2.79Å; F328-D330 VanDerWaalsContact C-N 3.33Å; D330-S333 WeakPolarHBondContact O-CB 3.42Å; D330-S333 PolarHBondContact O-N 3.18Å; D330-S333 PolarHBondContact O-OG 3.43Å
331	Y	88	Confident	81.4	Confident	61 Å²	61	36.1 Å²	36.1	24%	0.239	19%	0.191	C	C	.	.	H	α-helix	trans	-61	-44.5	172.7	178.2	-97.8	0	0	0	112.3	S327 F328 I329 S333 S446 F447 A452	S327-Y331 WeakPolarHBondContact O-CB 3.24Å; S327-Y331 PolarHBondContact O-N 3.34Å; F328-Y331 PolarHBondContact O-N 3.03Å; I329-Y331 VanDerWaalsContact C-N 3.35Å; Y331-S333 VanDerWaalsContact C-N 3.26Å; Y331-S333 PolarHBondContact O-N 3.18Å; Y331-S446 VanDerWaalsContact OH-C 3.23Å; Y331-S446 WeakPolarHBondContact OH-CB 3.13Å; Y331-S446 PolarHBondContact OH-O 3.41Å; Y331-S446 PolarHBondContact OH-OG 3.49Å; Y331-F447 HydrophobicContact CD1-CB 3.62Å; Y331-F447 AromaticContact CD1-CD2 3.75Å; Y331-F447 HydrophobicContact CD1-CD2 3.75Å; Y331-F447 HydrophobicContact CD1-CG 4.05Å; Y331-F447 AromaticContact CD2-CD2 3.85Å; Y331-F447 HydrophobicContact CD2-CD2 3.85Å; Y331-F447 HydrophobicContact CE1-CB 3.63Å; Y331-F447 HydrophobicContact CE1-CD2 4.42Å; Y331-F447 HydrophobicContact CE1-CG 4.5Å; Y331-F447 HydrophobicContact CG-CB 4.18Å; Y331-F447 AromaticContact CG-CD2 3.42Å; Y331-F447 HydrophobicContact CG-CD2 3.42Å; Y331-F447 VanDerWaalsContact CG-CD2 3.42Å; Y331-F447 HydrophobicContact CG-CE2 4.22Å; Y331-F447 HydrophobicContact CG-CG 4.2Å; Y331-F447 PolarHBondContact OH-N 3.34Å; Y331-A452 HydrophobicContact CD2-CB 4.5Å
332	L	88.8	Confident	82.2	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-71.9	-17.9	-179.8	-70.8	-178.5	0	0	0	113.3	F328 I329 Q334 T335 I341 L437 F443	F328-L332 HydrophobicContact CD1-CD1 4Å; F328-L332 HydrophobicContact CD2-CD1 4.32Å; F328-L332 HydrophobicContact CD2-CG 4.11Å; F328-L332 HydrophobicContact CE1-CD1 3.59Å; F328-L332 HydrophobicContact CE1-CG 4.37Å; F328-L332 HydrophobicContact CE2-CD1 3.93Å; F328-L332 HydrophobicContact CE2-CD2 3.94Å; F328-L332 HydrophobicContact CE2-CG 3.82Å; F328-L332 HydrophobicContact CG-CD1 4.36Å; F328-L332 HydrophobicContact CZ-CD1 3.56Å; F328-L332 HydrophobicContact CZ-CD2 4.13Å; F328-L332 HydrophobicContact CZ-CG 3.98Å; F328-L332 WeakPolarHBondContact O-CB 3.34Å; F328-L332 VanDerWaalsContact O-CG 3.28Å; F328-L332 WeakPolarHBondContact O-CG 3.29Å; F328-L332 PolarHBondContact O-N 2.83Å; I329-L332 CarbonylContact O-C 3.55Å; I329-L332 PolarHBondContact O-N 3.12Å; L332-Q334 PolarHBondContact O-N 2.95Å; L332-T335 WeakPolarHBondContact CA-OG1 3.5Å; L332-T335 WeakPolarHBondContact CD2-OG1 3.49Å; L332-T335 WeakPolarHBondContact O-CA 3.3Å; L332-T335 PolarHBondContact O-N 3.41Å; L332-T335 PolarHBondContact O-OG1 3.17Å; L332-I341 HydrophobicContact CD1-CB 3.93Å; L332-I341 HydrophobicContact CD1-CG1 4.5Å; L332-I341 HydrophobicContact CD1-CG2 3.74Å; L332-L437 HydrophobicContact CD1-CD2 3.96Å; L332-F443 HydrophobicContact CD2-CB 4.07Å; L332-F443 HydrophobicContact CD2-CD1 3.97Å; L332-F443 HydrophobicContact CD2-CG 4.36Å
333	S	82.8	Confident	83	Confident	67 Å²	67	35.1 Å²	35.1	47%	0.469	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-26.8	-175.4	70.1	0	0	0	0	114.2	I329 D330 Y331	I329-S333 PolarHBondContact O-N 2.83Å; D330-S333 WeakPolarHBondContact O-CB 3.42Å; D330-S333 PolarHBondContact O-N 3.18Å; D330-S333 PolarHBondContact O-OG 3.43Å; Y331-S333 VanDerWaalsContact C-N 3.26Å; Y331-S333 PolarHBondContact O-N 3.18Å
334	Q	79	Confident	83.8	Confident	185 Å²	185	36.7 Å²	36.7	86%	0.864	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	9.3	178.2	-59.3	-178.8	19.4	0	0	113.2	L332	L332-Q334 PolarHBondContact O-N 2.95Å
335	T	83.3	Confident	83.9	Confident	41 Å²	41	37 Å²	37	25%	0.252	19%	0.193	S	C	.	.	S	Bend	trans	-128.1	159.7	-174.6	73	0	0	0	0	111.2	L332 G337 K338	L332-T335 WeakPolarHBondContact CA-OG1 3.5Å; L332-T335 WeakPolarHBondContact CD2-OG1 3.49Å; L332-T335 WeakPolarHBondContact O-CA 3.3Å; L332-T335 PolarHBondContact O-N 3.41Å; L332-T335 PolarHBondContact O-OG1 3.17Å; T335-G337 PolarHBondContact O-N 3.35Å; T335-G337 PolarHBondContact OG1-N 3.34Å; T335-K338 PolarHBondContact O-N 2.9Å
336	D	79.7	Confident	83.9	Confident	113 Å²	113	39 Å²	39	60%	0.604	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-12.5	171.6	-58.1	-30.3	0	0	0	112.8	K338 T339 Y340 R442	D336-K338 PolarHBondContact O-N 2.82Å; D336-T339 PolarHBondContact O-OG1 2.72Å; D336-Y340 WeakPolarHBondContact O-CD2 3.37Å; D336-R442 IonicContact OD2-NH1 3.4Å
337	G	84.9	Confident	84	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-69.1	-18.6	178.6	0	0	0	0	0	113.5	T335 T339 Y340 I341	T335-G337 PolarHBondContact O-N 3.35Å; T335-G337 PolarHBondContact OG1-N 3.34Å; G337-T339 VanDerWaalsContact C-N 3.28Å; G337-T339 PolarHBondContact O-N 2.98Å; G337-Y340 PolarHBondContact O-N 2.85Å; G337-I341 PolarHBondContact O-N 2.98Å; G337-I341 VanDerWaalsContact O-N 3.11Å
338	K	85.5	Confident	83.6	Confident	50 Å²	50	39.4 Å²	39.4	22%	0.217	20%	0.202	C	C	.	.	H	α-helix	trans	-58.1	-38.5	178	-173.2	61.5	168.4	74	0	112.4	I329 T335 D336 I341 D342	I329-K338 HydrophobicContact CG2-CD 4.28Å; T335-K338 PolarHBondContact O-N 2.9Å; D336-K338 PolarHBondContact O-N 2.82Å; K338-I341 HydrophobicContact CD-CG2 4.26Å; K338-I341 WeakPolarHBondContact O-CG2 3.32Å; K338-D342 IonicContact NZ-OD1 3.63Å; K338-D342 PolarHBondContact NZ-OD1 3.35Å; K338-D342 IonicContact NZ-OD2 2.86Å; K338-D342 PolarHBondContact NZ-OD2 3.39Å; K338-D342 VanDerWaalsContact O-CB 3.29Å; K338-D342 WeakPolarHBondContact O-CB 3.27Å; K338-D342 PolarHBondContact O-N 3.41Å
339	T	87	Confident	82.4	Confident	32 Å²	32	39.8 Å²	39.8	20%	0.196	21%	0.206	C	C	.	.	H	α-helix	trans	-70.7	-37.4	-179.7	55.1	0	0	0	0	112.1	D336 G337 M343 R400	D336-T339 PolarHBondContact O-OG1 2.72Å; G337-T339 VanDerWaalsContact C-N 3.28Å; G337-T339 PolarHBondContact O-N 2.98Å; T339-M343 WeakPolarHBondContact O-CB 3.46Å; T339-M343 PolarHBondContact O-N 3.38Å; T339-R400 HydrophobicContact CG2-CB 4.46Å
340	Y	89.8	Confident	81.5	Confident	16 Å²	16	40.1 Å²	40.1	6%	0.063	21%	0.208	C	C	.	.	H	α-helix	trans	-64.4	-47.3	176.1	-70.3	-89.7	0	0	0	111.8	D336 G337 M343 Y344 V402 D403 I404 A433 I436 F443	D336-Y340 WeakPolarHBondContact O-CD2 3.37Å; G337-Y340 PolarHBondContact O-N 2.85Å; Y340-M343 PolarHBondContact O-N 3.43Å; Y340-Y344 WeakPolarHBondContact O-CB 3.32Å; Y340-Y344 PolarHBondContact O-N 3.13Å; Y340-V402 HydrophobicContact CD1-CG1 3.37Å; Y340-V402 HydrophobicContact CE1-CG1 3.31Å; Y340-V402 HydrophobicContact CG-CG1 4.08Å; Y340-D403 WeakPolarHBondContact OH-CB 3.42Å; Y340-D403 PolarHBondContact OH-N 2.86Å; Y340-D403 PolarHBondContact OH-O 3.08Å; Y340-I404 HydrophobicContact CE1-CG2 4.38Å; Y340-A433 HydrophobicContact CD1-CB 4.36Å; Y340-I436 HydrophobicContact CD1-CB 4.35Å; Y340-I436 HydrophobicContact CD1-CD1 4.26Å; Y340-I436 HydrophobicContact CD1-CG2 4Å; Y340-I436 HydrophobicContact CE1-CB 4.3Å; Y340-I436 HydrophobicContact CE1-CD1 3.6Å; Y340-I436 HydrophobicContact CE1-CG2 3.79Å; Y340-I436 HydrophobicContact CG-CG2 4.46Å; Y340-F443 HydrophobicContact CD2-CE2 4.37Å; Y340-F443 HydrophobicContact CD2-CZ 4.36Å; Y340-F443 HydrophobicContact CE2-CE2 4.39Å; Y340-F443 HydrophobicContact CE2-CZ 4.31Å
341	I	87.1	Confident	80.3	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67.7	-40.2	178.7	-170.2	63.8	0	0	0	111.3	L319 L325 I329 L332 G337 K338 M343 Y344 L345 L437	L319-I341 HydrophobicContact CD2-CD1 3.37Å; L325-I341 HydrophobicContact CD1-CD1 4.1Å; L325-I341 HydrophobicContact CD1-CG1 4.37Å; I329-I341 HydrophobicContact CG1-CG1 4.25Å; L332-I341 HydrophobicContact CD1-CB 3.93Å; L332-I341 HydrophobicContact CD1-CG1 4.5Å; L332-I341 HydrophobicContact CD1-CG2 3.74Å; G337-I341 PolarHBondContact O-N 2.98Å; G337-I341 VanDerWaalsContact O-N 3.11Å; K338-I341 HydrophobicContact CD-CG2 4.26Å; K338-I341 WeakPolarHBondContact O-CG2 3.32Å; I341-M343 VanDerWaalsContact C-N 3.32Å; I341-M343 PolarHBondContact O-N 3.2Å; I341-Y344 PolarHBondContact O-N 3.13Å; I341-L345 HydrophobicContact CD1-CD1 4.29Å; I341-L345 HydrophobicContact CD1-CD2 4.45Å; I341-L345 HydrophobicContact CD1-CG 4.13Å; I341-L345 HydrophobicContact CG1-CD1 3.88Å; I341-L345 HydrophobicContact CG1-CG 4.16Å; I341-L345 WeakPolarHBondContact O-CB 3.41Å; I341-L345 VanDerWaalsContact O-CG 3.24Å; I341-L345 WeakPolarHBondContact O-CG 3.29Å; I341-L345 PolarHBondContact O-N 2.96Å; I341-L437 HydrophobicContact CB-CD1 4.2Å; I341-L437 HydrophobicContact CD1-CD1 4.03Å
342	D	84.2	Confident	78.2	Confident	23 Å²	23	38.4 Å²	38.4	12%	0.123	20%	0.198	C	C	.	.	H	α-helix	trans	-61.3	-41.6	176.5	-76	-10.1	0	0	0	111.7	K338 T346 Y393	K338-D342 IonicContact NZ-OD1 3.63Å; K338-D342 PolarHBondContact NZ-OD1 3.35Å; K338-D342 IonicContact NZ-OD2 2.86Å; K338-D342 PolarHBondContact NZ-OD2 3.39Å; K338-D342 VanDerWaalsContact O-CB 3.29Å; K338-D342 WeakPolarHBondContact O-CB 3.27Å; K338-D342 PolarHBondContact O-N 3.41Å; D342-T346 VanDerWaalsContact O-CB 3.24Å; D342-T346 WeakPolarHBondContact O-CB 3.49Å; D342-T346 PolarHBondContact O-N 3.11Å; D342-T346 PolarHBondContact O-OG1 3.39Å; D342-Y393 HydrophobicContact CB-CE1 4.17Å
343	M	87	Confident	76.1	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.8	-50.1	174.6	-172.9	-87.7	-81.9	0	0	111.3	T339 Y340 I341 L345 T346 V347 Y393 F394 V402 A433	T339-M343 WeakPolarHBondContact O-CB 3.46Å; T339-M343 PolarHBondContact O-N 3.38Å; Y340-M343 PolarHBondContact O-N 3.43Å; I341-M343 VanDerWaalsContact C-N 3.32Å; I341-M343 PolarHBondContact O-N 3.2Å; M343-L345 VanDerWaalsContact C-N 3.34Å; M343-L345 PolarHBondContact O-N 3.45Å; M343-T346 PolarHBondContact O-N 3.36Å; M343-T346 VanDerWaalsContact O-N 3.17Å; M343-V347 WeakPolarHBondContact O-CG2 3.34Å; M343-V347 PolarHBondContact O-N 3.49Å; M343-V347 HydrophobicContact SD-CG2 3.86Å; M343-Y393 HydrophobicContact CB-CD1 3.67Å; M343-Y393 HydrophobicContact CB-CD2 4.23Å; M343-Y393 HydrophobicContact CB-CE1 3.95Å; M343-Y393 HydrophobicContact CB-CE2 4.48Å; M343-Y393 HydrophobicContact CB-CG 3.81Å; M343-Y393 HydrophobicContact CG-CD1 4.07Å; M343-Y393 HydrophobicContact CG-CD2 3.96Å; M343-Y393 HydrophobicContact CG-CG 3.67Å; M343-F394 HydrophobicContact CE-CE1 3.94Å; M343-F394 HydrophobicContact CE-CZ 3.6Å; M343-F394 HydrophobicContact CG-CZ 4.11Å; M343-F394 HydrophobicContact SD-CZ 3.91Å; M343-V402 HydrophobicContact CB-CG2 3.91Å; M343-V402 HydrophobicContact CE-CG1 4.16Å; M343-V402 HydrophobicContact CG-CG2 4.28Å; M343-A433 HydrophobicContact CE-CB 3.55Å
344	Y	86.8	Confident	74.4	Confident	38 Å²	38	39.9 Å²	39.9	15%	0.149	21%	0.211	C	C	.	.	H	α-helix	trans	-54.7	-49.1	178.9	-178.5	-81.6	0	0	0	111.5	L319 Y340 I341 V347 E348 Q430 Y434	L319-Y344 HydrophobicContact CD1-CD1 4.3Å; L319-Y344 HydrophobicContact CD1-CE1 3.78Å; L319-Y344 HydrophobicContact CD1-CE2 4.45Å; Y340-Y344 WeakPolarHBondContact O-CB 3.32Å; Y340-Y344 PolarHBondContact O-N 3.13Å; I341-Y344 PolarHBondContact O-N 3.13Å; Y344-V347 PolarHBondContact O-N 3.37Å; Y344-E348 WeakPolarHBondContact O-CB 3.48Å; Y344-E348 PolarHBondContact O-N 3.23Å; Y344-Q430 HydrophobicContact CD2-CG 3.36Å; Y344-Q430 HydrophobicContact CE2-CG 3.49Å; Y344-Q430 VanDerWaalsContact CE2-CG 3.49Å; Y344-Q430 HydrophobicContact CG-CG 4.11Å; Y344-Q430 PolarHBondContact O-NE2 3.21Å; Y344-Y434 HydrophobicContact CE2-CD2 4.01Å; Y344-Y434 HydrophobicContact CE2-CG 4.41Å
345	L	79.4	Confident	72.8	Confident	5 Å²	5	32.4 Å²	32.4	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-70	-34.3	180	-63.2	176	0	0	0	112.2	L325 I329 I341 M343 A349 W726	L325-L345 HydrophobicContact CD1-CD1 4.37Å; L325-L345 HydrophobicContact CD1-CD2 4.43Å; L325-L345 HydrophobicContact CD2-CD1 4.08Å; L325-L345 HydrophobicContact CD2-CD2 3.96Å; I329-L345 HydrophobicContact CD1-CD1 3.81Å; I341-L345 HydrophobicContact CD1-CD1 4.29Å; I341-L345 HydrophobicContact CD1-CD2 4.45Å; I341-L345 HydrophobicContact CD1-CG 4.13Å; I341-L345 HydrophobicContact CG1-CD1 3.88Å; I341-L345 HydrophobicContact CG1-CG 4.16Å; I341-L345 WeakPolarHBondContact O-CB 3.41Å; I341-L345 VanDerWaalsContact O-CG 3.24Å; I341-L345 WeakPolarHBondContact O-CG 3.29Å; I341-L345 PolarHBondContact O-N 2.96Å; M343-L345 VanDerWaalsContact C-N 3.34Å; M343-L345 PolarHBondContact O-N 3.45Å; L345-A349 WeakPolarHBondContact O-CB 3.46Å; L345-A349 PolarHBondContact O-N 3.3Å; L345-W726 HydrophobicContact CB-CB 4.01Å; L345-W726 HydrophobicContact CB-CD2 4.48Å; L345-W726 HydrophobicContact CB-CG 3.83Å; L345-W726 HydrophobicContact CD1-CD2 4.49Å; L345-W726 HydrophobicContact CD1-CG 4.48Å; L345-W726 HydrophobicContact CD2-CD2 3.73Å; L345-W726 HydrophobicContact CD2-CE3 4.32Å; L345-W726 HydrophobicContact CD2-CG 3.96Å; L345-W726 HydrophobicContact CD2-CZ2 3.99Å; L345-W726 HydrophobicContact CG-CD2 4.45Å; L345-W726 HydrophobicContact CG-CG 4.29Å; L345-W726 VanDerWaalsContact O-CD1 3.23Å
346	T	78.6	Confident	70.7	Confident	44 Å²	44	34.7 Å²	34.7	27%	0.27	18%	0.182	S	C	.	.	H	α-helix	trans	-65.1	-44.4	175.6	-59.3	0	0	0	0	111	D342 M343 A349 S350 I389 Y393	D342-T346 VanDerWaalsContact O-CB 3.24Å; D342-T346 WeakPolarHBondContact O-CB 3.49Å; D342-T346 PolarHBondContact O-N 3.11Å; D342-T346 PolarHBondContact O-OG1 3.39Å; M343-T346 PolarHBondContact O-N 3.36Å; M343-T346 VanDerWaalsContact O-N 3.17Å; T346-A349 PolarHBondContact O-N 3.1Å; T346-S350 WeakPolarHBondContact O-CB 3.4Å; T346-S350 PolarHBondContact O-N 3.29Å; T346-I389 HydrophobicContact CG2-CD1 4.09Å; T346-I389 HydrophobicContact CG2-CG1 3.96Å; T346-Y393 HydrophobicContact CG2-CE2 4.1Å; T346-Y393 PolarHBondContact OG1-OH 3.4Å; T346-Y393 VanDerWaalsContact OG1-OH 3.05Å
347	V	77.8	Confident	68.9	Low	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.3	-52.3	175.9	169.8	0	0	0	0	110.4	M343 Y344 A349 S350 E351 I389 F426 Q430	M343-V347 WeakPolarHBondContact O-CG2 3.34Å; M343-V347 PolarHBondContact O-N 3.49Å; M343-V347 HydrophobicContact SD-CG2 3.86Å; Y344-V347 PolarHBondContact O-N 3.37Å; V347-A349 VanDerWaalsContact C-N 3.26Å; V347-A349 PolarHBondContact O-N 3.25Å; V347-S350 WeakPolarHBondContact O-CA 3.44Å; V347-S350 WeakPolarHBondContact O-CB 3.38Å; V347-S350 PolarHBondContact O-N 3.05Å; V347-S350 PolarHBondContact O-OG 3.34Å; V347-E351 PolarHBondContact O-N 2.96Å; V347-I389 HydrophobicContact CG2-CG2 4.26Å; V347-F426 HydrophobicContact CB-CB 4.33Å; V347-F426 HydrophobicContact CG1-CB 3.37Å; V347-F426 HydrophobicContact CG1-CG 4.01Å; V347-F426 HydrophobicContact CG2-CB 3.96Å; V347-F426 HydrophobicContact CG2-CD1 3.78Å; V347-F426 HydrophobicContact CG2-CE1 4.41Å; V347-F426 HydrophobicContact CG2-CG 3.86Å; V347-Q430 HydrophobicContact CG1-CB 4.18Å; V347-Q430 HydrophobicContact CG1-CG 4.22Å
348	E	72.2	Confident	66.8	Low	56 Å²	56	34.8 Å²	34.8	26%	0.262	19%	0.187	S	C	.	.	H	α-helix	trans	-54.1	-45	178.3	-166.3	71.6	-170.6	0	0	111.2	Y344 S350 E351 F352 Q430	Y344-E348 WeakPolarHBondContact O-CB 3.48Å; Y344-E348 PolarHBondContact O-N 3.23Å; E348-S350 VanDerWaalsContact C-N 3.31Å; E348-S350 PolarHBondContact O-N 3.22Å; E348-E351 PolarHBondContact O-N 3.16Å; E348-F352 PolarHBondContact O-N 3.43Å; E348-Q430 PolarHBondContact OE2-NE2 3.14Å
349	A	63.5	Low	64.8	Low	9 Å²	9	33.7 Å²	33.7	7%	0.074	18%	0.182	C	C	.	.	H	α-helix	trans	-66.2	-30.9	178.1	0	0	0	0	0	113.2	L345 T346 V347 R729	L345-A349 WeakPolarHBondContact O-CB 3.46Å; L345-A349 PolarHBondContact O-N 3.3Å; T346-A349 PolarHBondContact O-N 3.1Å; V347-A349 VanDerWaalsContact C-N 3.26Å; V347-A349 PolarHBondContact O-N 3.25Å; A349-R729 PolarHBondContact O-NH1 3.07Å
350	S	63.8	Low	62.6	Low	9 Å²	9	36.9 Å²	36.9	6%	0.063	20%	0.203	C	C	.	.	H	α-helix	trans	-75	-39.5	178.2	77.3	0	0	0	0	111.6	T346 V347 E348 F352 S353 F355	T346-S350 WeakPolarHBondContact O-CB 3.4Å; T346-S350 PolarHBondContact O-N 3.29Å; V347-S350 WeakPolarHBondContact O-CA 3.44Å; V347-S350 WeakPolarHBondContact O-CB 3.38Å; V347-S350 PolarHBondContact O-N 3.05Å; V347-S350 PolarHBondContact O-OG 3.34Å; E348-S350 VanDerWaalsContact C-N 3.31Å; E348-S350 PolarHBondContact O-N 3.22Å; S350-F352 PolarHBondContact O-N 3.15Å; S350-S353 PolarHBondContact O-N 3.11Å; S350-S353 PolarHBondContact O-OG 3.21Å; S350-S353 VanDerWaalsContact O-OG 3.05Å; S350-F355 WeakPolarHBondContact O-CD2 2.98Å; S350-F355 VanDerWaalsContact O-CE2 3.32Å; S350-F355 WeakPolarHBondContact O-CE2 3.2Å
351	E	56.2	Low	60	Low	26 Å²	26	43.5 Å²	43.5	12%	0.121	24%	0.24	C	C	.	.	I	π-helix	trans	-61.8	-36	176.7	-69.3	-154.1	175.1	0	0	112.3	V347 E348 K356	V347-E351 PolarHBondContact O-N 2.96Å; E348-E351 PolarHBondContact O-N 3.16Å; E351-K356 IonicContact OE2-NZ 3.04Å; E351-K356 PolarHBondContact OE2-NZ 3.4Å
352	F	44.4	Very low	57.6	Low	93 Å²	93	54.3 Å²	54.3	41%	0.408	28%	0.281	S	S	.	.	I	π-helix	trans	-72.8	-27.4	-179	-141.1	-92	0	0	0	113.6	E348 S350 G354 C662	E348-F352 PolarHBondContact O-N 3.43Å; S350-F352 PolarHBondContact O-N 3.15Å; F352-G354 PolarHBondContact O-N 2.95Å; F352-G354 VanDerWaalsContact O-N 3.14Å; F352-C662 HydrophobicContact CZ-CB 4.35Å; F352-C662 WeakPolarHBondContact CZ-SG 3.39Å
353	S	45.8	Very low	55.3	Low	83 Å²	83	58.5 Å²	58.5	58%	0.58	31%	0.312	S	S	*	.	I	π-helix	trans	-79.2	11.5	-173	60.2	0	0	0	0	115.8	S350	S350-S353 PolarHBondContact O-N 3.11Å; S350-S353 PolarHBondContact O-OG 3.21Å; S350-S353 VanDerWaalsContact O-OG 3.05Å
354	G	45.5	Very low	52.7	Low	15 Å²	15	62.5 Å²	62.5	16%	0.155	35%	0.353	C	S	.	.	I	π-helix	trans	135.2	-0.2	168.5	0	0	0	0	0	116.2	F352 S358	F352-G354 PolarHBondContact O-N 2.95Å; F352-G354 VanDerWaalsContact O-N 3.14Å; G354-S358 WeakPolarHBondContact O-CB 3.45Å; G354-S358 PolarHBondContact O-N 3Å; G354-S358 VanDerWaalsContact O-N 3.11Å; G354-S358 PolarHBondContact O-OG 3.03Å
355	F	47	Very low	50.2	Low	28 Å²	28	72 Å²	72	12%	0.123	39%	0.388	C	S	.	.	I	π-helix	trans	-78.1	-32	-177.5	-60.2	-51.6	0	0	0	113.8	S350 F359 A382 P422 S423	S350-F355 WeakPolarHBondContact O-CD2 2.98Å; S350-F355 VanDerWaalsContact O-CE2 3.32Å; S350-F355 WeakPolarHBondContact O-CE2 3.2Å; F355-F359 WeakPolarHBondContact O-CD2 3.31Å; F355-A382 HydrophobicContact CD1-CB 3.55Å; F355-A382 HydrophobicContact CE1-CB 3.12Å; F355-A382 HydrophobicContact CZ-CB 3.82Å; F355-P422 HydrophobicContact CB-CB 4.37Å; F355-P422 HydrophobicContact CD1-CB 4.46Å; F355-P422 HydrophobicContact CG-CB 4.46Å; F355-S423 PolarHBondContact O-OG 3.3Å
356	K	38	Very low	48.3	Very low	89 Å²	89	77.9 Å²	77.9	39%	0.387	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-34.6	168.6	-89	174.3	177.6	138	0	112.6	E351 S423	E351-K356 IonicContact OE2-NZ 3.04Å; E351-K356 PolarHBondContact OE2-NZ 3.4Å; K356-S423 WeakPolarHBondContact CG-OG 3.32Å
357	N	42	Very low	46.4	Very low	59 Å²	59	79.4 Å²	79.4	32%	0.316	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-16.2	-170.1	-68.5	5	0	0	0	115.1	D666	N357-D666 PolarHBondContact ND2-OD2 3.21Å
358	S	41.2	Very low	44.9	Very low	56 Å²	56	82.5 Å²	82.5	39%	0.392	46%	0.462	S	S	.	.	S	Bend	trans	-82.5	-15.7	178.4	-56.1	0	0	0	0	113.9	G354 P360	G354-S358 WeakPolarHBondContact O-CB 3.45Å; G354-S358 PolarHBondContact O-N 3Å; G354-S358 VanDerWaalsContact O-N 3.11Å; G354-S358 PolarHBondContact O-OG 3.03Å; S358-P360 WeakPolarHBondContact O-CD 3.33Å
359	F	42.9	Very low	43.7	Very low	26 Å²	26	88.2 Å²	88.2	11%	0.114	49%	0.488	C	S	.	.	S	Bend	trans	-109.5	108.8	-174.2	-64.3	-84.7	0	0	0	110.8	F355 N361 E375 I378 I379 H421	F355-F359 WeakPolarHBondContact O-CD2 3.31Å; F359-N361 PolarHBondContact O-N 2.69Å; F359-E375 HydrophobicContact CD1-CG 4.17Å; F359-E375 HydrophobicContact CE1-CB 4.19Å; F359-E375 HydrophobicContact CE1-CG 3.8Å; F359-I378 HydrophobicContact CE2-CG2 3.73Å; F359-I378 HydrophobicContact CZ-CB 4.1Å; F359-I378 HydrophobicContact CZ-CG2 3.63Å; F359-I379 HydrophobicContact CE1-CD1 4.26Å; F359-I379 HydrophobicContact CE1-CG1 4.16Å; F359-I379 HydrophobicContact CZ-CD1 4.38Å; F359-I379 HydrophobicContact CZ-CG1 3.79Å; F359-H421 AromaticContact CD1-NE2 3.99Å; F359-H421 AromaticContact CD2-CE1 3.92Å; F359-H421 AromaticContact CD2-NE2 3.62Å; F359-H421 AromaticContact CG-NE2 3.43Å; F359-H421 WeakPolarHBondContact CG-NE2 3.28Å
360	P	40.8	Very low	42.5	Very low	99 Å²	99	94.8 Å²	94.8	64%	0.643	52%	0.517	S	S	*	.			trans	-64.7	130.9	175.1	24.1	-29.6	0	0	0	110.3	S358 R362	S358-P360 WeakPolarHBondContact O-CD 3.33Å; P360-R362 PolarHBondContact O-N 2.85Å
361	N	36.5	Very low	41.6	Very low	156 Å²	156	97.7 Å²	97.7	83%	0.834	53%	0.534	S	S	*	.			trans	-50.6	116.3	166.7	-95.6	-15.8	0	0	0	109.1	F359 S363	F359-N361 PolarHBondContact O-N 2.69Å; N361-S363 PolarHBondContact O-N 3.35Å; N361-S363 VanDerWaalsContact O-N 3.15Å
362	R	35.7	Very low	41.3	Very low	226 Å²	226	102.5 Å²	102.5	85%	0.853	56%	0.555	S	S	*	*			trans	-65.7	110.8	-176.1	-73.6	-177.7	177	-167.9	-0.3	110.8	P360	P360-R362 PolarHBondContact O-N 2.85Å
363	S	35.5	Very low	41.5	Very low	111 Å²	111	107 Å²	107	78%	0.776	57%	0.569	S	S	*	*			trans	-117.4	120.2	146.9	64.4	0	0	0	0	108.1	N361 R365	N361-S363 PolarHBondContact O-N 3.35Å; N361-S363 VanDerWaalsContact O-N 3.15Å; S363-R365 PolarHBondContact O-N 3.06Å
364	G	32.2	Very low	41.7	Very low	84 Å²	84	107.9 Å²	107.9	87%	0.866	57%	0.567	S	S	*	*			trans	-34.1	115	-165.5	0	0	0	0	0	118.2
365	R	36.2	Very low	42.1	Very low	237 Å²	237	109.6 Å²	109.6	89%	0.894	57%	0.571	S	S	*	*			trans	-151.6	137.5	155.3	-128.2	172.2	173.8	168.2	-2.7	110.9	S363 T367	S363-R365 PolarHBondContact O-N 3.06Å; R365-T367 PolarHBondContact O-N 3.05Å
366	S	39.3	Very low	42.9	Very low	130 Å²	130	112 Å²	112	91%	0.909	59%	0.592	S	S	*	*			trans	-49.6	113.6	-177.6	177.1	0	0	0	0	112.8
367	T	37.9	Very low	44	Very low	75 Å²	75	113 Å²	113	46%	0.46	60%	0.601	S	S	.	*			trans	-84.7	131.7	-177.8	52.8	0	0	0	0	112.1	R365 K372	R365-T367 PolarHBondContact O-N 3.05Å; T367-K372 WeakPolarHBondContact OG1-CE 3.49Å
368	S	45.6	Very low	45	Very low	66 Å²	66	112.9 Å²	112.9	46%	0.462	60%	0.599	S	S	.	*			trans	-66.7	152.6	169.6	75.6	0	0	0	0	111.6	H370 T371 K372	S368-H370 PolarHBondContact O-N 3.02Å; S368-T371 WeakPolarHBondContact O-CB 3.34Å; S368-T371 PolarHBondContact O-N 3.42Å; S368-T371 PolarHBondContact O-OG1 3.07Å; S368-T371 PolarHBondContact OG-OG1 3.11Å; S368-K372 PolarHBondContact O-N 2.9Å
369	E	47.7	Very low	46.3	Very low	175 Å²	175	112.5 Å²	112.5	82%	0.818	59%	0.592	S	S	*	*	H	α-helix	trans	-56.9	-33	178.3	-74.3	-171.4	148.7	0	0	113.5	T371 K372 R373	E369-T371 VanDerWaalsContact C-N 3.29Å; E369-T371 PolarHBondContact O-N 3.49Å; E369-K372 PolarHBondContact O-N 2.76Å; E369-R373 PolarHBondContact O-N 3.29Å; E369-R373 VanDerWaalsContact O-N 3.11Å
370	H	38.8	Very low	47.6	Very low	148 Å²	148	113.5 Å²	113.5	69%	0.685	60%	0.603	S	S	*	*	H	α-helix	trans	-60.7	-37.6	175.7	-78.5	-63.5	0	0	0	112.7	S368 R373 N374	S368-H370 PolarHBondContact O-N 3.02Å; H370-R373 PolarHBondContact O-N 2.87Å; H370-N374 PolarHBondContact O-N 3.41Å; H370-N374 VanDerWaalsContact O-N 3.13Å
371	T	43.5	Very low	49	Very low	69 Å²	69	111.7 Å²	111.7	42%	0.423	59%	0.592	S	S	.	*	H	α-helix	trans	-68.1	-40.6	179.5	-31.6	0	0	0	0	111.1	S368 E369 R373 N374 E375	S368-T371 WeakPolarHBondContact O-CB 3.34Å; S368-T371 PolarHBondContact O-N 3.42Å; S368-T371 PolarHBondContact O-OG1 3.07Å; S368-T371 PolarHBondContact OG-OG1 3.11Å; E369-T371 VanDerWaalsContact C-N 3.29Å; E369-T371 PolarHBondContact O-N 3.49Å; T371-R373 VanDerWaalsContact C-N 3.32Å; T371-R373 PolarHBondContact O-N 3.42Å; T371-N374 PolarHBondContact O-N 3.38Å; T371-E375 PolarHBondContact O-N 2.89Å
372	K	49.8	Very low	50.6	Low	127 Å²	127	104.3 Å²	104.3	55%	0.552	55%	0.553	S	S	*	*	H	α-helix	trans	-64.5	-36.3	176.4	-71.3	-175.9	178.4	175.7	0	112.2	T367 S368 E369 S376	T367-K372 WeakPolarHBondContact OG1-CE 3.49Å; S368-K372 PolarHBondContact O-N 2.9Å; E369-K372 PolarHBondContact O-N 2.76Å; K372-S376 PolarHBondContact O-N 3.5Å
373	R	48.6	Very low	52.6	Low	188 Å²	188	97.4 Å²	97.4	71%	0.709	53%	0.527	S	S	*	.	H	α-helix	trans	-68.1	-41.9	178.2	-147.3	174.4	-168.4	165.4	1.6	111.5	E369 H370 T371 S376 L377	E369-R373 PolarHBondContact O-N 3.29Å; E369-R373 VanDerWaalsContact O-N 3.11Å; H370-R373 PolarHBondContact O-N 2.87Å; T371-R373 VanDerWaalsContact C-N 3.32Å; T371-R373 PolarHBondContact O-N 3.42Å; R373-S376 PolarHBondContact O-N 3.32Å; R373-L377 PolarHBondContact O-N 2.69Å; R373-L377 VanDerWaalsContact O-N 3.13Å
374	N	50.1	Low	54.5	Low	101 Å²	101	98.5 Å²	98.5	54%	0.54	52%	0.52	S	S	.	.	H	α-helix	trans	-65.8	-43.9	174.1	-74.9	-4.3	0	0	0	112.3	H370 T371 S376 L377 I378	H370-N374 PolarHBondContact O-N 3.41Å; H370-N374 VanDerWaalsContact O-N 3.13Å; T371-N374 PolarHBondContact O-N 3.38Å; N374-S376 VanDerWaalsContact C-N 3.28Å; N374-S376 PolarHBondContact O-N 3Å; N374-L377 PolarHBondContact O-N 2.92Å; N374-I378 VanDerWaalsContact O-CG1 3.3Å; N374-I378 WeakPolarHBondContact O-CG1 3.46Å; N374-I378 PolarHBondContact O-N 3.06Å
375	E	54.9	Low	56.6	Low	51 Å²	51	96.9 Å²	96.9	24%	0.238	49%	0.493	C	S	.	.	H	α-helix	trans	-56.5	-43.9	173.7	-82.3	-169.7	145.8	0	0	111.2	F359 T371 L377 I378 I379	F359-E375 HydrophobicContact CD1-CG 4.17Å; F359-E375 HydrophobicContact CE1-CB 4.19Å; F359-E375 HydrophobicContact CE1-CG 3.8Å; T371-E375 PolarHBondContact O-N 2.89Å; E375-L377 VanDerWaalsContact C-N 3.33Å; E375-L377 PolarHBondContact O-N 2.86Å; E375-I378 PolarHBondContact O-N 3.25Å; E375-I379 WeakPolarHBondContact O-CB 3.36Å; E375-I379 WeakPolarHBondContact O-CD1 3.39Å; E375-I379 WeakPolarHBondContact O-CG1 3.24Å; E375-I379 PolarHBondContact O-N 2.87Å
376	S	63.2	Low	58.7	Low	79 Å²	79	85.8 Å²	85.8	55%	0.552	45%	0.452	S	S	*	.	H	α-helix	trans	-62.8	-38.6	179.1	-170.7	0	0	0	0	112.8	K372 R373 N374 S380	K372-S376 PolarHBondContact O-N 3.5Å; R373-S376 PolarHBondContact O-N 3.32Å; N374-S376 VanDerWaalsContact C-N 3.28Å; N374-S376 PolarHBondContact O-N 3Å; S376-S380 PolarHBondContact O-N 3.47Å; S376-S380 PolarHBondContact O-OG 2.75Å
377	L	62.6	Low	60.8	Low	110 Å²	110	82.8 Å²	82.8	58%	0.576	43%	0.425	S	S	*	.	H	α-helix	trans	-69.1	-40.9	177.6	-107.2	140.6	0	0	0	112.3	R373 N374 E375 S380 S381	R373-L377 PolarHBondContact O-N 2.69Å; R373-L377 VanDerWaalsContact O-N 3.13Å; N374-L377 PolarHBondContact O-N 2.92Å; E375-L377 VanDerWaalsContact C-N 3.33Å; E375-L377 PolarHBondContact O-N 2.86Å; L377-S380 WeakPolarHBondContact CA-OG 3.45Å; L377-S380 PolarHBondContact O-N 3.3Å; L377-S380 PolarHBondContact O-OG 3.39Å; L377-S381 WeakPolarHBondContact O-CB 3.5Å; L377-S381 PolarHBondContact O-N 3.26Å
378	I	63	Low	62.8	Low	56 Å²	56	85.4 Å²	85.4	29%	0.287	43%	0.432	S	S	.	.	H	α-helix	trans	-66.1	-43.2	176.4	-64.6	164.5	0	0	0	110.1	F359 N374 E375 S381 A382	F359-I378 HydrophobicContact CE2-CG2 3.73Å; F359-I378 HydrophobicContact CZ-CB 4.1Å; F359-I378 HydrophobicContact CZ-CG2 3.63Å; N374-I378 VanDerWaalsContact O-CG1 3.3Å; N374-I378 WeakPolarHBondContact O-CG1 3.46Å; N374-I378 PolarHBondContact O-N 3.06Å; E375-I378 PolarHBondContact O-N 3.25Å; I378-S381 PolarHBondContact O-N 2.93Å; I378-A382 VanDerWaalsContact O-CB 3.31Å; I378-A382 WeakPolarHBondContact O-CB 3.29Å; I378-A382 PolarHBondContact O-N 3.22Å
379	I	68.5	Low	64.6	Low	48 Å²	48	82.6 Å²	82.6	25%	0.246	41%	0.412	C	S	.	.	H	α-helix	trans	-66.5	-37.9	178	-66	166.5	0	0	0	111.1	F359 E375 A382 R383	F359-I379 HydrophobicContact CE1-CD1 4.26Å; F359-I379 HydrophobicContact CE1-CG1 4.16Å; F359-I379 HydrophobicContact CZ-CD1 4.38Å; F359-I379 HydrophobicContact CZ-CG1 3.79Å; E375-I379 WeakPolarHBondContact O-CB 3.36Å; E375-I379 WeakPolarHBondContact O-CD1 3.39Å; E375-I379 WeakPolarHBondContact O-CG1 3.24Å; E375-I379 PolarHBondContact O-N 2.87Å; I379-A382 WeakPolarHBondContact O-CB 3.38Å; I379-A382 PolarHBondContact O-N 2.88Å; I379-R383 WeakPolarHBondContact O-CG 3.23Å; I379-R383 PolarHBondContact O-N 2.78Å
380	S	69.2	Low	66.4	Low	48 Å²	48	75.5 Å²	75.5	34%	0.336	38%	0.378	S	S	.	.	H	α-helix	trans	-65.9	-44.6	175.7	56.6	0	0	0	0	111.8	S376 L377 A382 R383 E384	S376-S380 PolarHBondContact O-N 3.47Å; S376-S380 PolarHBondContact O-OG 2.75Å; L377-S380 WeakPolarHBondContact CA-OG 3.45Å; L377-S380 PolarHBondContact O-N 3.3Å; L377-S380 PolarHBondContact O-OG 3.39Å; S380-A382 VanDerWaalsContact C-N 3.32Å; S380-A382 PolarHBondContact O-N 3.18Å; S380-R383 WeakPolarHBondContact O-CB 3.41Å; S380-R383 PolarHBondContact O-N 3.42Å; S380-E384 PolarHBondContact O-N 3.35Å; S380-E384 VanDerWaalsContact O-N 3.08Å
381	S	69.6	Low	68.6	Low	60 Å²	60	71.9 Å²	71.9	42%	0.42	36%	0.364	S	S	.	.	H	α-helix	trans	-62.3	-39.7	174.3	177.8	0	0	0	0	111.8	L377 I378 R383 E384 V385	L377-S381 WeakPolarHBondContact O-CB 3.5Å; L377-S381 PolarHBondContact O-N 3.26Å; I378-S381 PolarHBondContact O-N 2.93Å; S381-R383 VanDerWaalsContact C-N 3.31Å; S381-R383 PolarHBondContact O-N 3.03Å; S381-E384 PolarHBondContact O-N 3.25Å; S381-V385 PolarHBondContact O-N 2.98Å; S381-V385 VanDerWaalsContact O-N 3.12Å
382	A	70.1	Confident	70.6	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.008	36%	0.358	C	S	.	.	H	α-helix	trans	-58.4	-43.9	174.3	0	0	0	0	0	112.1	F355 I378 I379 S380 E384 V385 A386 P422 W425	F355-A382 HydrophobicContact CD1-CB 3.55Å; F355-A382 HydrophobicContact CE1-CB 3.12Å; F355-A382 HydrophobicContact CZ-CB 3.82Å; I378-A382 VanDerWaalsContact O-CB 3.31Å; I378-A382 WeakPolarHBondContact O-CB 3.29Å; I378-A382 PolarHBondContact O-N 3.22Å; I379-A382 WeakPolarHBondContact O-CB 3.38Å; I379-A382 PolarHBondContact O-N 2.88Å; S380-A382 VanDerWaalsContact C-N 3.32Å; S380-A382 PolarHBondContact O-N 3.18Å; A382-E384 VanDerWaalsContact C-N 3.33Å; A382-V385 PolarHBondContact O-N 3.32Å; A382-A386 VanDerWaalsContact O-CB 3.26Å; A382-A386 WeakPolarHBondContact O-CB 3.48Å; A382-A386 PolarHBondContact O-N 3.04Å; A382-P422 HydrophobicContact CB-CB 4.15Å; A382-P422 HydrophobicContact CB-CG 4.06Å; A382-W425 HydrophobicContact CB-CH2 4.04Å; A382-W425 HydrophobicContact CB-CZ3 4Å
383	R	78.7	Confident	72.4	Confident	82 Å²	82	65.8 Å²	65.8	31%	0.309	33%	0.332	S	S	.	.	H	α-helix	trans	-64.7	-37.9	177.8	-76.7	-177.9	177.2	142.4	0.8	112	I379 S380 S381 A386 L387 I416 S418 W425	I379-R383 WeakPolarHBondContact O-CG 3.23Å; I379-R383 PolarHBondContact O-N 2.78Å; S380-R383 WeakPolarHBondContact O-CB 3.41Å; S380-R383 PolarHBondContact O-N 3.42Å; S381-R383 VanDerWaalsContact C-N 3.31Å; S381-R383 PolarHBondContact O-N 3.03Å; R383-A386 PolarHBondContact O-N 3.35Å; R383-L387 VanDerWaalsContact O-CB 3.27Å; R383-L387 WeakPolarHBondContact O-CB 3.46Å; R383-L387 WeakPolarHBondContact O-CG 3.43Å; R383-L387 PolarHBondContact O-N 3.39Å; R383-I416 HydrophobicContact CG-CG2 4.43Å; R383-I416 PolarHBondContact NE-O 3.38Å; R383-S418 PolarHBondContact NH2-O 2.89Å; R383-W425 HydrophobicContact CB-CH2 4.35Å; R383-W425 HydrophobicContact CG-CH2 3.44Å; R383-W425 VanDerWaalsContact CG-CH2 3.44Å; R383-W425 HydrophobicContact CG-CZ2 4.05Å; R383-W425 HydrophobicContact CG-CZ3 4.19Å
384	E	75.3	Confident	74.3	Confident	134 Å²	134	57.2 Å²	57.2	63%	0.626	30%	0.3	S	S	*	.	H	α-helix	trans	-61.6	-50	176.8	-73.2	173.3	178.6	0	0	111	S380 S381 A382 A386 L387 E388	S380-E384 PolarHBondContact O-N 3.35Å; S380-E384 VanDerWaalsContact O-N 3.08Å; S381-E384 PolarHBondContact O-N 3.25Å; A382-E384 VanDerWaalsContact C-N 3.33Å; E384-A386 PolarHBondContact O-N 2.72Å; E384-L387 PolarHBondContact O-N 2.81Å; E384-E388 PolarHBondContact O-N 3.22Å
385	V	75.5	Confident	75.9	Confident	50 Å²	50	56.7 Å²	56.7	30%	0.303	29%	0.294	S	S	.	.	H	α-helix	trans	-61.8	-44.2	176.4	177.4	0	0	0	0	111.3	S381 A382 L387 E388 I389	S381-V385 PolarHBondContact O-N 2.98Å; S381-V385 VanDerWaalsContact O-N 3.12Å; A382-V385 PolarHBondContact O-N 3.32Å; V385-L387 VanDerWaalsContact C-N 3.33Å; V385-L387 PolarHBondContact O-N 2.97Å; V385-E388 WeakPolarHBondContact O-CB 3.39Å; V385-E388 PolarHBondContact O-N 2.67Å; V385-I389 HydrophobicContact CG1-CD1 4.07Å; V385-I389 WeakPolarHBondContact O-CG1 3.31Å; V385-I389 PolarHBondContact O-N 2.8Å
386	A	81.6	Confident	77.1	Confident	4 Å²	4	58.5 Å²	58.5	3%	0.033	32%	0.319	C	S	.	.	H	α-helix	trans	-64.5	-37.3	178.5	0	0	0	0	0	112.4	A382 R383 E384 E388 Y390 I416 W425 F426	A382-A386 VanDerWaalsContact O-CB 3.26Å; A382-A386 WeakPolarHBondContact O-CB 3.48Å; A382-A386 PolarHBondContact O-N 3.04Å; R383-A386 PolarHBondContact O-N 3.35Å; E384-A386 PolarHBondContact O-N 2.72Å; A386-E388 VanDerWaalsContact C-N 3.35Å; A386-Y390 VanDerWaalsContact O-CB 3.28Å; A386-Y390 WeakPolarHBondContact O-CB 3.4Å; A386-Y390 PolarHBondContact O-N 3.24Å; A386-I416 HydrophobicContact CB-CD1 4.15Å; A386-I416 HydrophobicContact CB-CG1 4.22Å; A386-I416 HydrophobicContact CB-CG2 4.35Å; A386-W425 HydrophobicContact CB-CE3 3.51Å; A386-W425 HydrophobicContact CB-CZ3 3.59Å; A386-F426 HydrophobicContact CB-CE2 3.73Å; A386-F426 HydrophobicContact CB-CZ 4.04Å
387	L	81.9	Confident	77.8	Confident	66 Å²	66	64 Å²	64	35%	0.346	33%	0.333	S	S	.	.	H	α-helix	trans	-68.3	-35.8	174.3	-75.4	169.6	0	0	0	111.6	R383 E384 V385 Y390 N391 I416	R383-L387 VanDerWaalsContact O-CB 3.27Å; R383-L387 WeakPolarHBondContact O-CB 3.46Å; R383-L387 WeakPolarHBondContact O-CG 3.43Å; R383-L387 PolarHBondContact O-N 3.39Å; E384-L387 PolarHBondContact O-N 2.81Å; V385-L387 VanDerWaalsContact C-N 3.33Å; V385-L387 PolarHBondContact O-N 2.97Å; L387-Y390 PolarHBondContact O-N 3.32Å; L387-N391 WeakPolarHBondContact O-CB 3.45Å; L387-N391 PolarHBondContact O-N 2.83Å; L387-N391 PolarHBondContact O-ND2 3.27Å; L387-I416 HydrophobicContact CD2-CG2 3.96Å; L387-I416 HydrophobicContact CG-CG2 3.95Å
388	E	80.9	Confident	78.6	Confident	130 Å²	130	60.3 Å²	60.3	61%	0.607	32%	0.315	S	S	*	.	H	α-helix	trans	-63.7	-49.1	174.1	-170.5	176.2	-171.2	0	0	111.4	E384 V385 A386 Y390 N391 Q392	E384-E388 PolarHBondContact O-N 3.22Å; V385-E388 WeakPolarHBondContact O-CB 3.39Å; V385-E388 PolarHBondContact O-N 2.67Å; A386-E388 VanDerWaalsContact C-N 3.35Å; E388-Y390 VanDerWaalsContact C-N 3.28Å; E388-Y390 PolarHBondContact O-N 3.11Å; E388-N391 PolarHBondContact O-N 2.91Å; E388-Q392 WeakPolarHBondContact O-CB 3.47Å; E388-Q392 PolarHBondContact O-N 2.97Å
389	I	83.2	Confident	79.2	Confident	8 Å²	8	65.6 Å²	65.6	4%	0.041	35%	0.345	C	S	.	.	H	α-helix	trans	-58.5	-43.2	173.8	-64.2	170.6	0	0	0	110.3	T346 V347 V385 N391 Q392 Y393 F426	T346-I389 HydrophobicContact CG2-CD1 4.09Å; T346-I389 HydrophobicContact CG2-CG1 3.96Å; V347-I389 HydrophobicContact CG2-CG2 4.26Å; V385-I389 HydrophobicContact CG1-CD1 4.07Å; V385-I389 WeakPolarHBondContact O-CG1 3.31Å; V385-I389 PolarHBondContact O-N 2.8Å; I389-N391 PolarHBondContact O-N 2.87Å; I389-Q392 PolarHBondContact O-N 3.45Å; I389-Y393 HydrophobicContact CG2-CD2 3.98Å; I389-Y393 HydrophobicContact CG2-CE2 4.47Å; I389-Y393 WeakPolarHBondContact O-CD2 3.34Å; I389-Y393 PolarHBondContact O-N 3.03Å; I389-F426 HydrophobicContact CB-CE1 4.32Å; I389-F426 HydrophobicContact CB-CZ 3.92Å; I389-F426 HydrophobicContact CG2-CE1 3.69Å; I389-F426 HydrophobicContact CG2-CZ 3.77Å
390	Y	85.9	Confident	79.8	Confident	25 Å²	25	68.8 Å²	68.8	10%	0.098	35%	0.354	C	S	.	.	H	α-helix	trans	-61.6	-45.2	178.1	-178	-86.7	0	0	0	112.3	A386 L387 E388 Q392 F394 Q395 L412 Q413 I416	A386-Y390 VanDerWaalsContact O-CB 3.28Å; A386-Y390 WeakPolarHBondContact O-CB 3.4Å; A386-Y390 PolarHBondContact O-N 3.24Å; L387-Y390 PolarHBondContact O-N 3.32Å; E388-Y390 VanDerWaalsContact C-N 3.28Å; E388-Y390 PolarHBondContact O-N 3.11Å; Y390-Q392 VanDerWaalsContact C-N 3.31Å; Y390-Q392 PolarHBondContact O-N 3.38Å; Y390-F394 HydrophobicContact CD2-CB 4.02Å; Y390-F394 AromaticContact CD2-CD2 3.83Å; Y390-F394 HydrophobicContact CD2-CD2 3.83Å; Y390-F394 HydrophobicContact CD2-CG 4.33Å; Y390-F394 HydrophobicContact CE2-CB 3.91Å; Y390-F394 HydrophobicContact CE2-CD2 4.36Å; Y390-F394 HydrophobicContact CE2-CG 4.47Å; Y390-F394 HydrophobicContact CG-CB 4.42Å; Y390-F394 HydrophobicContact CG-CD2 4.41Å; Y390-F394 WeakPolarHBondContact O-CA 3.5Å; Y390-F394 WeakPolarHBondContact O-CB 3.31Å; Y390-F394 PolarHBondContact O-N 2.63Å; Y390-Q395 PolarHBondContact O-N 3.37Å; Y390-L412 HydrophobicContact CD2-CD2 3.77Å; Y390-L412 HydrophobicContact CD2-CG 4Å; Y390-L412 HydrophobicContact CE2-CD2 4.21Å; Y390-L412 HydrophobicContact CE2-CG 4.34Å; Y390-Q413 HydrophobicContact CE1-CG 4.35Å; Y390-Q413 HydrophobicContact CE2-CB 3.87Å; Y390-Q413 HydrophobicContact CE2-CG 4.37Å; Y390-I416 HydrophobicContact CD2-CD1 4.39Å
391	N	85.5	Confident	80.5	Confident	72 Å²	72	69.9 Å²	69.9	39%	0.385	36%	0.355	S	S	.	.	H	α-helix	trans	-66.4	-35.8	178	-68.3	-22.3	0	0	0	111.6	L387 E388 I389 Q395	L387-N391 WeakPolarHBondContact O-CB 3.45Å; L387-N391 PolarHBondContact O-N 2.83Å; L387-N391 PolarHBondContact O-ND2 3.27Å; E388-N391 PolarHBondContact O-N 2.91Å; I389-N391 PolarHBondContact O-N 2.87Å; N391-Q395 VanDerWaalsContact O-CB 3.3Å; N391-Q395 WeakPolarHBondContact O-CB 3.48Å; N391-Q395 PolarHBondContact OD1-OE1 3.23Å
392	Q	84.7	Confident	81.3	Confident	65 Å²	65	67 Å²	67	30%	0.304	34%	0.335	S	S	.	.	H	α-helix	trans	-71.1	-38.7	179.8	-171.6	176.7	16.7	0	0	113.2	E388 I389 Y390 S398	E388-Q392 WeakPolarHBondContact O-CB 3.47Å; E388-Q392 PolarHBondContact O-N 2.97Å; I389-Q392 PolarHBondContact O-N 3.45Å; Y390-Q392 VanDerWaalsContact C-N 3.31Å; Y390-Q392 PolarHBondContact O-N 3.38Å; Q392-S398 VanDerWaalsContact O-CB 3.27Å; Q392-S398 WeakPolarHBondContact O-CB 3.5Å; Q392-S398 PolarHBondContact O-OG 3.4Å
393	Y	88.4	Confident	82	Confident	3 Å²	3	72.5 Å²	72.5	1%	0.012	36%	0.364	C	S	.	.	H	α-helix	trans	-114.1	-18.7	-171.2	-64.7	-74.7	0	0	0	115.2	D342 M343 T346 I389 R400 V402	D342-Y393 HydrophobicContact CB-CE1 4.17Å; M343-Y393 HydrophobicContact CB-CD1 3.67Å; M343-Y393 HydrophobicContact CB-CD2 4.23Å; M343-Y393 HydrophobicContact CB-CE1 3.95Å; M343-Y393 HydrophobicContact CB-CE2 4.48Å; M343-Y393 HydrophobicContact CB-CG 3.81Å; M343-Y393 HydrophobicContact CG-CD1 4.07Å; M343-Y393 HydrophobicContact CG-CD2 3.96Å; M343-Y393 HydrophobicContact CG-CG 3.67Å; T346-Y393 HydrophobicContact CG2-CE2 4.1Å; T346-Y393 PolarHBondContact OG1-OH 3.4Å; T346-Y393 VanDerWaalsContact OG1-OH 3.05Å; I389-Y393 HydrophobicContact CG2-CD2 3.98Å; I389-Y393 HydrophobicContact CG2-CE2 4.47Å; I389-Y393 WeakPolarHBondContact O-CD2 3.34Å; I389-Y393 PolarHBondContact O-N 3.03Å; Y393-R400 HydrophobicContact CD1-CB 4.18Å; Y393-R400 WeakPolarHBondContact CD1-O 3.49Å; Y393-R400 HydrophobicContact CE1-CB 4.21Å; Y393-V402 HydrophobicContact CD1-CG2 3.93Å; Y393-V402 HydrophobicContact CG-CG2 4.42Å; Y393-V402 PolarHBondContact O-N 3.49Å
394	F	88.3	Confident	82.4	Confident	8 Å²	8	68.8 Å²	68.8	4%	0.035	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-10.6	-174.7	-56.6	-60.2	0	0	0	114.4	M343 Y390 V402 I404 K409 L412 F426 A429	M343-F394 HydrophobicContact CE-CE1 3.94Å; M343-F394 HydrophobicContact CE-CZ 3.6Å; M343-F394 HydrophobicContact CG-CZ 4.11Å; M343-F394 HydrophobicContact SD-CZ 3.91Å; Y390-F394 HydrophobicContact CD2-CB 4.02Å; Y390-F394 AromaticContact CD2-CD2 3.83Å; Y390-F394 HydrophobicContact CD2-CD2 3.83Å; Y390-F394 HydrophobicContact CD2-CG 4.33Å; Y390-F394 HydrophobicContact CE2-CB 3.91Å; Y390-F394 HydrophobicContact CE2-CD2 4.36Å; Y390-F394 HydrophobicContact CE2-CG 4.47Å; Y390-F394 HydrophobicContact CG-CB 4.42Å; Y390-F394 HydrophobicContact CG-CD2 4.41Å; Y390-F394 WeakPolarHBondContact O-CA 3.5Å; Y390-F394 WeakPolarHBondContact O-CB 3.31Å; Y390-F394 PolarHBondContact O-N 2.63Å; F394-V402 HydrophobicContact CE1-CB 4.35Å; F394-I404 HydrophobicContact CD1-CD1 3.8Å; F394-I404 HydrophobicContact CD1-CG1 4.02Å; F394-I404 HydrophobicContact CE1-CD1 3.23Å; F394-I404 HydrophobicContact CE1-CG1 3.74Å; F394-I404 HydrophobicContact CZ-CD1 3.98Å; F394-K409 HydrophobicContact CB-CD 4.34Å; F394-K409 HydrophobicContact CB-CG 4.42Å; F394-K409 HydrophobicContact CD1-CD 4.3Å; F394-K409 HydrophobicContact CD1-CG 4.06Å; F394-K409 HydrophobicContact CG-CG 4.45Å; F394-L412 HydrophobicContact CD2-CD2 3.58Å; F394-L412 HydrophobicContact CE2-CD2 3.43Å; F394-L412 VanDerWaalsContact CE2-CD2 3.43Å; F394-L412 HydrophobicContact CG-CD2 4.47Å; F394-L412 HydrophobicContact CZ-CD2 4.2Å; F394-F426 HydrophobicContact CE2-CD1 4.3Å; F394-F426 HydrophobicContact CE2-CE1 4.06Å; F394-A429 HydrophobicContact CZ-CB 3.95Å
395	Q	83.8	Confident	83.1	Confident	90 Å²	90	66.3 Å²	66.3	42%	0.421	34%	0.341	S	S	.	.	S	Bend	trans	-80.6	128.5	177.1	-170.1	172.8	17	0	0	111	Y390 N391 K397 S398	Y390-Q395 PolarHBondContact O-N 3.37Å; N391-Q395 VanDerWaalsContact O-CB 3.3Å; N391-Q395 WeakPolarHBondContact O-CB 3.48Å; N391-Q395 PolarHBondContact OD1-OE1 3.23Å; Q395-K397 PolarHBondContact O-N 3Å; Q395-S398 WeakPolarHBondContact O-CB 3.38Å; Q395-S398 PolarHBondContact O-N 2.75Å
396	A	78.2	Confident	83.5	Confident	90 Å²	90	69 Å²	69	74%	0.744	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-14.4	-172.8	0	0	0	0	0	116.3
397	K	78.9	Confident	84	Confident	195 Å²	195	70.4 Å²	70.4	85%	0.848	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	0.2	177.4	-66	-171.7	178.5	-175.3	0	113.9	Q395	Q395-K397 PolarHBondContact O-N 3Å
398	S	79.7	Confident	84.3	Confident	31 Å²	31	67.8 Å²	67.8	22%	0.217	35%	0.352	C	S	.	.			trans	-81.5	138.1	-178	-177.9	0	0	0	0	111.8	Q392 Q395 R400 L401	Q392-S398 VanDerWaalsContact O-CB 3.27Å; Q392-S398 WeakPolarHBondContact O-CB 3.5Å; Q392-S398 PolarHBondContact O-OG 3.4Å; Q395-S398 WeakPolarHBondContact O-CB 3.38Å; Q395-S398 PolarHBondContact O-N 2.75Å; S398-R400 PolarHBondContact O-N 3.41Å; S398-R400 PolarHBondContact OG-N 2.87Å; S398-R400 VanDerWaalsContact OG-N 3.1Å; S398-L401 PolarHBondContact O-N 3.05Å
399	D	75.2	Confident	84.7	Confident	168 Å²	168	62 Å²	62	90%	0.898	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-18.7	170.9	-59.2	-36	0	0	0	112.4
400	R	81.1	Confident	85	Confident	115 Å²	115	68.2 Å²	68.2	43%	0.434	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	32.7	179.3	-58.5	-173.3	-174.8	-168.2	-1.8	112.3	T339 Y393 S398 V402	T339-R400 HydrophobicContact CG2-CB 4.46Å; Y393-R400 HydrophobicContact CD1-CB 4.18Å; Y393-R400 WeakPolarHBondContact CD1-O 3.49Å; Y393-R400 HydrophobicContact CE1-CB 4.21Å; S398-R400 PolarHBondContact O-N 3.41Å; S398-R400 PolarHBondContact OG-N 2.87Å; S398-R400 VanDerWaalsContact OG-N 3.1Å; R400-V402 PolarHBondContact O-N 3.07Å
401	L	84.8	Confident	85.1	Confident	70 Å²	70	72.7 Å²	72.7	37%	0.366	37%	0.368	S	S	.	.			trans	-63.9	125.3	-177.9	-175.2	67.2	0	0	0	111.1	S398	S398-L401 PolarHBondContact O-N 3.05Å
402	V	84.7	Confident	85.3	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.35	C	S	.	.			trans	-94.1	123.9	174.4	-177.3	0	0	0	0	109	Y340 M343 Y393 F394 R400 I404	Y340-V402 HydrophobicContact CD1-CG1 3.37Å; Y340-V402 HydrophobicContact CE1-CG1 3.31Å; Y340-V402 HydrophobicContact CG-CG1 4.08Å; M343-V402 HydrophobicContact CB-CG2 3.91Å; M343-V402 HydrophobicContact CE-CG1 4.16Å; M343-V402 HydrophobicContact CG-CG2 4.28Å; Y393-V402 HydrophobicContact CD1-CG2 3.93Å; Y393-V402 HydrophobicContact CG-CG2 4.42Å; Y393-V402 PolarHBondContact O-N 3.49Å; F394-V402 HydrophobicContact CE1-CB 4.35Å; R400-V402 PolarHBondContact O-N 3.07Å; V402-I404 HydrophobicContact CG1-CG2 3.96Å; V402-I404 PolarHBondContact O-N 3.35Å
403	D	85.1	Confident	85.4	Confident	116 Å²	116	69 Å²	69	62%	0.62	35%	0.349	S	S	*	.			trans	-83.2	95.3	176.3	-170.3	25.1	0	0	0	110.3	Y340	Y340-D403 WeakPolarHBondContact OH-CB 3.42Å; Y340-D403 PolarHBondContact OH-N 2.86Å; Y340-D403 PolarHBondContact OH-O 3.08Å
404	I	87.6	Confident	85.3	Confident	5 Å²	5	71.8 Å²	71.8	3%	0.026	37%	0.373	C	S	.	.			trans	-124	163.9	170.2	56.9	161.1	0	0	0	109.4	Y340 F394 V402 E406 I408 K409 A429 R432 I436	Y340-I404 HydrophobicContact CE1-CG2 4.38Å; F394-I404 HydrophobicContact CD1-CD1 3.8Å; F394-I404 HydrophobicContact CD1-CG1 4.02Å; F394-I404 HydrophobicContact CE1-CD1 3.23Å; F394-I404 HydrophobicContact CE1-CG1 3.74Å; F394-I404 HydrophobicContact CZ-CD1 3.98Å; V402-I404 HydrophobicContact CG1-CG2 3.96Å; V402-I404 PolarHBondContact O-N 3.35Å; I404-E406 PolarHBondContact O-N 2.86Å; I404-I408 HydrophobicContact CD1-CB 4.32Å; I404-I408 HydrophobicContact CD1-CG2 4.03Å; I404-K409 HydrophobicContact CD1-CG 3.94Å; I404-K409 HydrophobicContact CG1-CD 4.33Å; I404-K409 HydrophobicContact CG1-CG 3.83Å; I404-K409 WeakPolarHBondContact O-CE 3.24Å; I404-A429 HydrophobicContact CD1-CB 4.04Å; I404-R432 HydrophobicContact CB-CG 4.3Å; I404-R432 HydrophobicContact CG2-CB 4.48Å; I404-R432 HydrophobicContact CG2-CG 3.98Å; I404-I436 HydrophobicContact CG2-CD1 3.97Å
405	D	89.2	Confident	85.1	Confident	81 Å²	81	73.4 Å²	73.4	43%	0.433	38%	0.38	S	S	.	.			trans	-50.7	124.3	-178.8	-56.1	-95.7	0	0	0	112.5	G407 I408 K409 R432	D405-G407 PolarHBondContact O-N 3.3Å; D405-I408 HydrophobicContact CB-CD1 3.98Å; D405-I408 HydrophobicContact CB-CG1 4.1Å; D405-I408 WeakPolarHBondContact O-CB 3.47Å; D405-I408 PolarHBondContact O-N 2.79Å; D405-K409 PolarHBondContact O-N 2.66Å; D405-R432 IonicContact OD2-CZ 3.22Å; D405-R432 IonicContact OD2-NE 3.68Å; D405-R432 PolarHBondContact OD2-NE 3.48Å; D405-R432 IonicContact OD2-NH2 3.68Å
406	E	85.9	Confident	85.1	Confident	107 Å²	107	69.2 Å²	69.2	50%	0.5	36%	0.361	S	S	.	.	H	α-helix	trans	-55.9	-25.7	179.1	-78.2	-60.8	132.9	0	0	113.1	I404 K409 K410	I404-E406 PolarHBondContact O-N 2.86Å; E406-K409 WeakPolarHBondContact OE1-CD 3.19Å; E406-K409 IonicContact OE1-NZ 3.01Å; E406-K409 PolarHBondContact OE1-NZ 3.31Å; E406-K410 WeakPolarHBondContact O-CG 3.48Å; E406-K410 PolarHBondContact O-N 2.93Å; E406-K410 VanDerWaalsContact O-N 3.12Å
407	G	90.4	Very high	85.2	Confident	34 Å²	34	73 Å²	73	35%	0.351	36%	0.356	S	S	.	.	H	α-helix	trans	-62.6	-40.9	172.3	0	0	0	0	0	113.3	D405 R411	D405-G407 PolarHBondContact O-N 3.3Å; G407-R411 WeakPolarHBondContact O-CG 3.29Å; G407-R411 PolarHBondContact O-N 3.28Å; G407-R411 VanDerWaalsContact O-N 3.12Å; G407-R411 PolarHBondContact O-NH1 2.96Å
408	I	89.6	Confident	85.3	Confident	11 Å²	11	65.6 Å²	65.6	6%	0.056	33%	0.329	C	S	.	.	H	α-helix	trans	-69.6	-46	178.5	-60.7	171.9	0	0	0	109.4	I404 D405 K410 R411 L412 E428 A429 R432	I404-I408 HydrophobicContact CD1-CB 4.32Å; I404-I408 HydrophobicContact CD1-CG2 4.03Å; D405-I408 HydrophobicContact CB-CD1 3.98Å; D405-I408 HydrophobicContact CB-CG1 4.1Å; D405-I408 WeakPolarHBondContact O-CB 3.47Å; D405-I408 PolarHBondContact O-N 2.79Å; I408-K410 VanDerWaalsContact C-N 3.3Å; I408-K410 PolarHBondContact O-N 3.23Å; I408-R411 PolarHBondContact O-N 2.91Å; I408-R411 VanDerWaalsContact O-N 3.13Å; I408-L412 WeakPolarHBondContact O-CB 3.36Å; I408-L412 PolarHBondContact O-N 3.26Å; I408-E428 HydrophobicContact CD1-CG 4.32Å; I408-E428 HydrophobicContact CG1-CG 4.13Å; I408-E428 HydrophobicContact CG2-CB 4.31Å; I408-E428 HydrophobicContact CG2-CG 3.98Å; I408-A429 HydrophobicContact CG2-CB 3.98Å; I408-R432 HydrophobicContact CD1-CB 3.87Å; I408-R432 HydrophobicContact CD1-CG 3.77Å
409	K	89.3	Confident	84.8	Confident	8 Å²	8	74.1 Å²	74.1	4%	0.035	36%	0.362	C	S	.	.	H	α-helix	trans	-56.6	-42.6	177.8	-62.4	-176.2	-166.5	162	0	112.2	F394 I404 D405 E406 Q413	F394-K409 HydrophobicContact CB-CD 4.34Å; F394-K409 HydrophobicContact CB-CG 4.42Å; F394-K409 HydrophobicContact CD1-CD 4.3Å; F394-K409 HydrophobicContact CD1-CG 4.06Å; F394-K409 HydrophobicContact CG-CG 4.45Å; I404-K409 HydrophobicContact CD1-CG 3.94Å; I404-K409 HydrophobicContact CG1-CD 4.33Å; I404-K409 HydrophobicContact CG1-CG 3.83Å; I404-K409 WeakPolarHBondContact O-CE 3.24Å; D405-K409 PolarHBondContact O-N 2.66Å; E406-K409 WeakPolarHBondContact OE1-CD 3.19Å; E406-K409 IonicContact OE1-NZ 3.01Å; E406-K409 PolarHBondContact OE1-NZ 3.31Å; K409-Q413 WeakPolarHBondContact O-CB 3.48Å; K409-Q413 PolarHBondContact O-N 3.32Å
410	K	88	Confident	84.7	Confident	139 Å²	139	69.1 Å²	69.1	60%	0.604	34%	0.337	S	S	*	.	H	α-helix	trans	-67.3	-41.3	177.1	-72.7	175.1	-174.4	175.9	0	112.4	E406 I408 A414	E406-K410 WeakPolarHBondContact O-CG 3.48Å; E406-K410 PolarHBondContact O-N 2.93Å; E406-K410 VanDerWaalsContact O-N 3.12Å; I408-K410 VanDerWaalsContact C-N 3.3Å; I408-K410 PolarHBondContact O-N 3.23Å; K410-A414 WeakPolarHBondContact O-CB 3.33Å; K410-A414 PolarHBondContact O-N 3.43Å
411	R	89.6	Confident	84.2	Confident	118 Å²	118	66.8 Å²	66.8	45%	0.445	33%	0.331	S	S	.	.	H	α-helix	trans	-64.5	-46.2	175.6	-78	-169.6	-66.4	-85.4	6.6	111.8	G407 I408 Q413 A414 M415 E428	G407-R411 WeakPolarHBondContact O-CG 3.29Å; G407-R411 PolarHBondContact O-N 3.28Å; G407-R411 VanDerWaalsContact O-N 3.12Å; G407-R411 PolarHBondContact O-NH1 2.96Å; I408-R411 PolarHBondContact O-N 2.91Å; I408-R411 VanDerWaalsContact O-N 3.13Å; R411-Q413 PolarHBondContact O-N 3.22Å; R411-A414 CarbonylContact O-C 3.39Å; R411-A414 WeakPolarHBondContact O-CB 3.49Å; R411-A414 PolarHBondContact O-N 2.78Å; R411-A414 VanDerWaalsContact O-N 3.16Å; R411-M415 WeakPolarHBondContact O-CB 3.48Å; R411-M415 VanDerWaalsContact O-CG 3.32Å; R411-M415 WeakPolarHBondContact O-CG 3.49Å; R411-M415 PolarHBondContact O-N 3.49Å; R411-E428 IonicContact CZ-OE1 3.55Å; R411-E428 IonicContact CZ-OE2 2.93Å; R411-E428 IonicContact NE-OE1 3.78Å; R411-E428 PolarHBondContact NE-OE1 3.25Å; R411-E428 IonicContact NE-OE2 3.29Å; R411-E428 PolarHBondContact NE-OE2 3.35Å; R411-E428 IonicContact NH2-OE1 2.79Å; R411-E428 PolarHBondContact NH2-OE1 3.11Å; R411-E428 IonicContact NH2-OE2 2.88Å
412	L	89.6	Confident	83.4	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-55	-50.3	174.7	172.1	62.5	0	0	0	111.4	Y390 F394 I408 A414 M415 I416 W425 F426 A429	Y390-L412 HydrophobicContact CD2-CD2 3.77Å; Y390-L412 HydrophobicContact CD2-CG 4Å; Y390-L412 HydrophobicContact CE2-CD2 4.21Å; Y390-L412 HydrophobicContact CE2-CG 4.34Å; F394-L412 HydrophobicContact CD2-CD2 3.58Å; F394-L412 HydrophobicContact CE2-CD2 3.43Å; F394-L412 VanDerWaalsContact CE2-CD2 3.43Å; F394-L412 HydrophobicContact CG-CD2 4.47Å; F394-L412 HydrophobicContact CZ-CD2 4.2Å; I408-L412 WeakPolarHBondContact O-CB 3.36Å; I408-L412 PolarHBondContact O-N 3.26Å; L412-A414 VanDerWaalsContact C-N 3.29Å; L412-A414 PolarHBondContact O-N 2.69Å; L412-M415 PolarHBondContact O-N 3.04Å; L412-M415 VanDerWaalsContact O-N 3.12Å; L412-I416 HydrophobicContact CD1-CD1 3.89Å; L412-I416 HydrophobicContact CD1-CG1 4.17Å; L412-I416 HydrophobicContact CG-CD1 4.07Å; L412-I416 WeakPolarHBondContact O-CG1 3.07Å; L412-I416 PolarHBondContact O-N 3.33Å; L412-W425 HydrophobicContact CD1-CB 4.25Å; L412-W425 WeakPolarHBondContact CD1-O 3.38Å; L412-F426 HydrophobicContact CD1-CD1 3.76Å; L412-F426 HydrophobicContact CD1-CE1 3.85Å; L412-F426 HydrophobicContact CD1-CG 4.12Å; L412-F426 HydrophobicContact CD1-CZ 4.29Å; L412-F426 HydrophobicContact CD2-CD1 3.88Å; L412-F426 HydrophobicContact CD2-CE1 3.77Å; L412-F426 HydrophobicContact CG-CD1 4.5Å; L412-F426 HydrophobicContact CG-CE1 4.38Å; L412-A429 HydrophobicContact CD2-CB 4.33Å
413	Q	86.1	Confident	82.6	Confident	60 Å²	60	64.1 Å²	64.1	28%	0.28	32%	0.318	S	S	.	.	H	α-helix	trans	-60.7	-39.1	178.3	-165.2	-177.2	41.5	0	0	112.4	Y390 K409 R411 R417	Y390-Q413 HydrophobicContact CE1-CG 4.35Å; Y390-Q413 HydrophobicContact CE2-CB 3.87Å; Y390-Q413 HydrophobicContact CE2-CG 4.37Å; K409-Q413 WeakPolarHBondContact O-CB 3.48Å; K409-Q413 PolarHBondContact O-N 3.32Å; R411-Q413 PolarHBondContact O-N 3.22Å; Q413-R417 WeakPolarHBondContact O-CG 3.21Å; Q413-R417 PolarHBondContact O-N 3.44Å
414	A	85.8	Confident	82	Confident	61 Å²	61	64 Å²	64	50%	0.504	31%	0.313	S	S	.	.	H	α-helix	trans	-67.4	-40	174.9	0	0	0	0	0	111.9	K410 R411 L412 R417 S418	K410-A414 WeakPolarHBondContact O-CB 3.33Å; K410-A414 PolarHBondContact O-N 3.43Å; R411-A414 CarbonylContact O-C 3.39Å; R411-A414 WeakPolarHBondContact O-CB 3.49Å; R411-A414 PolarHBondContact O-N 2.78Å; R411-A414 VanDerWaalsContact O-N 3.16Å; L412-A414 VanDerWaalsContact C-N 3.29Å; L412-A414 PolarHBondContact O-N 2.69Å; A414-R417 PolarHBondContact O-N 2.9Å; A414-S418 WeakPolarHBondContact O-CB 3.31Å; A414-S418 PolarHBondContact O-N 3.45Å
415	M	85.2	Confident	81.8	Confident	41 Å²	41	64 Å²	64	20%	0.202	31%	0.312	C	S	.	.	H	α-helix	trans	-64.4	-46	179	-75.3	-168.8	-66.5	0	0	112.3	R411 L412 R417 S418 W425	R411-M415 WeakPolarHBondContact O-CB 3.48Å; R411-M415 VanDerWaalsContact O-CG 3.32Å; R411-M415 WeakPolarHBondContact O-CG 3.49Å; R411-M415 PolarHBondContact O-N 3.49Å; L412-M415 PolarHBondContact O-N 3.04Å; L412-M415 VanDerWaalsContact O-N 3.12Å; M415-R417 PolarHBondContact O-N 2.82Å; M415-S418 WeakPolarHBondContact CA-OG 3.35Å; M415-S418 WeakPolarHBondContact O-CB 3.47Å; M415-S418 PolarHBondContact O-N 3.43Å; M415-S418 PolarHBondContact O-OG 3.43Å; M415-W425 WeakPolarHBondContact CE-O 3.47Å; M415-W425 PolarHBondContact O-NE1 2.86Å
416	I	82.5	Confident	81.6	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-57.9	-37.7	177.1	-65.3	167.5	0	0	0	111	R383 A386 L387 Y390 L412 W425 F426	R383-I416 HydrophobicContact CG-CG2 4.43Å; R383-I416 PolarHBondContact NE-O 3.38Å; A386-I416 HydrophobicContact CB-CD1 4.15Å; A386-I416 HydrophobicContact CB-CG1 4.22Å; A386-I416 HydrophobicContact CB-CG2 4.35Å; L387-I416 HydrophobicContact CD2-CG2 3.96Å; L387-I416 HydrophobicContact CG-CG2 3.95Å; Y390-I416 HydrophobicContact CD2-CD1 4.39Å; L412-I416 HydrophobicContact CD1-CD1 3.89Å; L412-I416 HydrophobicContact CD1-CG1 4.17Å; L412-I416 HydrophobicContact CG-CD1 4.07Å; L412-I416 WeakPolarHBondContact O-CG1 3.07Å; L412-I416 PolarHBondContact O-N 3.33Å; I416-W425 HydrophobicContact CG1-CB 4.42Å; I416-W425 HydrophobicContact CG1-CD2 4.11Å; I416-W425 HydrophobicContact CG1-CE3 4.22Å; I416-W425 HydrophobicContact CG1-CG 4.24Å; I416-F426 HydrophobicContact CD1-CZ 4.37Å
417	R	81.9	Confident	81.5	Confident	171 Å²	171	58.3 Å²	58.3	65%	0.645	28%	0.284	S	S	*	.	H	α-helix	trans	-79.8	-15.3	177.3	-67.1	176.7	179.9	166.2	3.2	113.8	Q413 A414 M415	Q413-R417 WeakPolarHBondContact O-CG 3.21Å; Q413-R417 PolarHBondContact O-N 3.44Å; A414-R417 PolarHBondContact O-N 2.9Å; M415-R417 PolarHBondContact O-N 2.82Å
418	S	79.6	Confident	81.4	Confident	39 Å²	39	60.3 Å²	60.3	27%	0.273	29%	0.285	S	S	.	.	S	Bend	trans	-85.7	-177.2	-177.6	81	0	0	0	0	112.6	R383 A414 M415 V420	R383-S418 PolarHBondContact NH2-O 2.89Å; A414-S418 WeakPolarHBondContact O-CB 3.31Å; A414-S418 PolarHBondContact O-N 3.45Å; M415-S418 WeakPolarHBondContact CA-OG 3.35Å; M415-S418 WeakPolarHBondContact O-CB 3.47Å; M415-S418 PolarHBondContact O-N 3.43Å; M415-S418 PolarHBondContact O-OG 3.43Å; S418-V420 VanDerWaalsContact C-N 3.3Å; S418-V420 VanDerWaalsContact OG-CB 3.3Å; S418-V420 WeakPolarHBondContact OG-CB 3.49Å; S418-V420 WeakPolarHBondContact OG-CG2 3.48Å; S418-V420 PolarHBondContact OG-N 3.11Å
419	K	69.5	Low	81.3	Confident	210 Å²	210	59.9 Å²	59.9	91%	0.913	28%	0.283	S	S	*	.	S	Bend	trans	-88	9.1	171.7	-64.1	-175.5	179.6	178.8	0	113.4
420	V	73.9	Confident	81.2	Confident	62 Å²	62	60.4 Å²	60.4	38%	0.376	29%	0.285	S	S	.	.	S	Bend	trans	-62.6	142.4	175.7	174.5	0	0	0	0	109.8	S418 W425	S418-V420 VanDerWaalsContact C-N 3.3Å; S418-V420 VanDerWaalsContact OG-CB 3.3Å; S418-V420 WeakPolarHBondContact OG-CB 3.49Å; S418-V420 WeakPolarHBondContact OG-CG2 3.48Å; S418-V420 PolarHBondContact OG-N 3.11Å; V420-W425 PolarHBondContact O-NE1 3.36Å; V420-W425 VanDerWaalsContact O-NE1 3.09Å
421	H	70.2	Confident	81.2	Confident	67 Å²	67	58.7 Å²	58.7	31%	0.31	28%	0.279	S	S	.	.			trans	-64.1	138	-178.3	-166.9	-90.8	0	0	0	111.1	F359 S423 F424	F359-H421 AromaticContact CD1-NE2 3.99Å; F359-H421 AromaticContact CD2-CE1 3.92Å; F359-H421 AromaticContact CD2-NE2 3.62Å; F359-H421 AromaticContact CG-NE2 3.43Å; F359-H421 WeakPolarHBondContact CG-NE2 3.28Å; H421-S423 PolarHBondContact CE1-OG 2.94Å; H421-S423 WeakPolarHBondContact ND1-CB 3.36Å; H421-S423 PolarHBondContact ND1-N 2.66Å; H421-S423 PolarHBondContact ND1-OG 3.02Å; H421-S423 PolarHBondContact O-N 3.35Å; H421-S423 VanDerWaalsContact O-N 3.1Å; H421-F424 HydrophobicContact CB-CD2 3.99Å; H421-F424 HydrophobicContact CB-CE2 4.15Å; H421-F424 PolarHBondContact O-N 3.47Å
422	P	68	Low	81.3	Confident	9 Å²	9	56.8 Å²	56.8	6%	0.058	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-55.2	-31.7	-174.6	-27.2	34	0	0	0	115.6	F355 A382 F424 W425	F355-P422 HydrophobicContact CB-CB 4.37Å; F355-P422 HydrophobicContact CD1-CB 4.46Å; F355-P422 HydrophobicContact CG-CB 4.46Å; A382-P422 HydrophobicContact CB-CB 4.15Å; A382-P422 HydrophobicContact CB-CG 4.06Å; P422-F424 PolarHBondContact O-N 2.64Å; P422-W425 HydrophobicContact CB-CD2 4.26Å; P422-W425 HydrophobicContact CB-CE3 4.05Å; P422-W425 HydrophobicContact CB-CH2 3.75Å; P422-W425 HydrophobicContact CB-CZ2 3.99Å; P422-W425 HydrophobicContact CB-CZ3 3.79Å; P422-W425 HydrophobicContact CG-CH2 3.67Å; P422-W425 HydrophobicContact CG-CZ2 3.79Å; P422-W425 HydrophobicContact CG-CZ3 4.23Å; P422-W425 PolarHBondContact O-N 2.72Å
423	S	66.9	Low	81.3	Confident	5 Å²	5	56.8 Å²	56.8	4%	0.035	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-65.6	-3.7	-177.3	-48.4	0	0	0	0	116.5	F355 K356 H421	F355-S423 PolarHBondContact O-OG 3.3Å; K356-S423 WeakPolarHBondContact CG-OG 3.32Å; H421-S423 PolarHBondContact CE1-OG 2.94Å; H421-S423 WeakPolarHBondContact ND1-CB 3.36Å; H421-S423 PolarHBondContact ND1-N 2.66Å; H421-S423 PolarHBondContact ND1-OG 3.02Å; H421-S423 PolarHBondContact O-N 3.35Å; H421-S423 VanDerWaalsContact O-N 3.1Å
424	F	74.1	Confident	81.5	Confident	114 Å²	114	55.3 Å²	55.3	50%	0.5	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-122.7	3	-178.9	-55.8	-73	0	0	0	112.4	H421 P422 D427	H421-F424 HydrophobicContact CB-CD2 3.99Å; H421-F424 HydrophobicContact CB-CE2 4.15Å; H421-F424 PolarHBondContact O-N 3.47Å; P422-F424 PolarHBondContact O-N 2.64Å; F424-D427 VanDerWaalsContact CA-OD1 3.32Å; F424-D427 WeakPolarHBondContact CA-OD1 3.47Å
425	W	82.6	Confident	81.8	Confident	5 Å²	5	55.7 Å²	55.7	2%	0.019	26%	0.256	C	S	.	.	S	Bend	trans	-65.8	-43.5	-171.9	-72.2	-16.3	0	0	0	111.3	A382 R383 A386 L412 M415 I416 V420 P422	A382-W425 HydrophobicContact CB-CH2 4.04Å; A382-W425 HydrophobicContact CB-CZ3 4Å; R383-W425 HydrophobicContact CB-CH2 4.35Å; R383-W425 HydrophobicContact CG-CH2 3.44Å; R383-W425 VanDerWaalsContact CG-CH2 3.44Å; R383-W425 HydrophobicContact CG-CZ2 4.05Å; R383-W425 HydrophobicContact CG-CZ3 4.19Å; A386-W425 HydrophobicContact CB-CE3 3.51Å; A386-W425 HydrophobicContact CB-CZ3 3.59Å; L412-W425 HydrophobicContact CD1-CB 4.25Å; L412-W425 WeakPolarHBondContact CD1-O 3.38Å; M415-W425 WeakPolarHBondContact CE-O 3.47Å; M415-W425 PolarHBondContact O-NE1 2.86Å; I416-W425 HydrophobicContact CG1-CB 4.42Å; I416-W425 HydrophobicContact CG1-CD2 4.11Å; I416-W425 HydrophobicContact CG1-CE3 4.22Å; I416-W425 HydrophobicContact CG1-CG 4.24Å; V420-W425 PolarHBondContact O-NE1 3.36Å; V420-W425 VanDerWaalsContact O-NE1 3.09Å; P422-W425 HydrophobicContact CB-CD2 4.26Å; P422-W425 HydrophobicContact CB-CE3 4.05Å; P422-W425 HydrophobicContact CB-CH2 3.75Å; P422-W425 HydrophobicContact CB-CZ2 3.99Å; P422-W425 HydrophobicContact CB-CZ3 3.79Å; P422-W425 HydrophobicContact CG-CH2 3.67Å; P422-W425 HydrophobicContact CG-CZ2 3.79Å; P422-W425 HydrophobicContact CG-CZ3 4.23Å; P422-W425 PolarHBondContact O-N 2.72Å
426	F	85	Confident	82.2	Confident	7 Å²	7	54.7 Å²	54.7	3%	0.031	25%	0.251	C	S	.	.	S	Bend	trans	-99.8	-7.7	-172.1	-69.5	-85	0	0	0	114.7	V347 A386 I389 F394 L412 I416 E428 A429 Q430	V347-F426 HydrophobicContact CB-CB 4.33Å; V347-F426 HydrophobicContact CG1-CB 3.37Å; V347-F426 HydrophobicContact CG1-CG 4.01Å; V347-F426 HydrophobicContact CG2-CB 3.96Å; V347-F426 HydrophobicContact CG2-CD1 3.78Å; V347-F426 HydrophobicContact CG2-CE1 4.41Å; V347-F426 HydrophobicContact CG2-CG 3.86Å; A386-F426 HydrophobicContact CB-CE2 3.73Å; A386-F426 HydrophobicContact CB-CZ 4.04Å; I389-F426 HydrophobicContact CB-CE1 4.32Å; I389-F426 HydrophobicContact CB-CZ 3.92Å; I389-F426 HydrophobicContact CG2-CE1 3.69Å; I389-F426 HydrophobicContact CG2-CZ 3.77Å; F394-F426 HydrophobicContact CE2-CD1 4.3Å; F394-F426 HydrophobicContact CE2-CE1 4.06Å; L412-F426 HydrophobicContact CD1-CD1 3.76Å; L412-F426 HydrophobicContact CD1-CE1 3.85Å; L412-F426 HydrophobicContact CD1-CG 4.12Å; L412-F426 HydrophobicContact CD1-CZ 4.29Å; L412-F426 HydrophobicContact CD2-CD1 3.88Å; L412-F426 HydrophobicContact CD2-CE1 3.77Å; L412-F426 HydrophobicContact CG-CD1 4.5Å; L412-F426 HydrophobicContact CG-CE1 4.38Å; I416-F426 HydrophobicContact CD1-CZ 4.37Å; F426-E428 VanDerWaalsContact C-N 3.3Å; F426-E428 PolarHBondContact O-N 3.42Å; F426-E428 VanDerWaalsContact O-N 3.15Å; F426-A429 PolarHBondContact O-N 3.35Å; F426-Q430 WeakPolarHBondContact O-CB 3.27Å; F426-Q430 PolarHBondContact O-N 3.06Å
427	D	83.6	Confident	82.6	Confident	60 Å²	60	54.6 Å²	54.6	32%	0.321	25%	0.25	S	S	.	.	H	α-helix	trans	-46.2	-50.3	-176.5	-61.8	21.9	0	0	0	112.8	F424 A429 Q430 Q431	F424-D427 VanDerWaalsContact CA-OD1 3.32Å; F424-D427 WeakPolarHBondContact CA-OD1 3.47Å; D427-A429 PolarHBondContact O-N 3.09Å; D427-Q430 PolarHBondContact O-N 2.91Å; D427-Q431 WeakPolarHBondContact O-CB 3.34Å; D427-Q431 PolarHBondContact O-N 2.91Å
428	E	88	Confident	83.1	Confident	77 Å²	77	49.6 Å²	49.6	36%	0.36	23%	0.234	S	C	.	.	H	α-helix	trans	-66.3	-40.1	-178.5	-169.6	179	-160	0	0	112.1	I408 R411 F426 R432	I408-E428 HydrophobicContact CD1-CG 4.32Å; I408-E428 HydrophobicContact CG1-CG 4.13Å; I408-E428 HydrophobicContact CG2-CB 4.31Å; I408-E428 HydrophobicContact CG2-CG 3.98Å; R411-E428 IonicContact CZ-OE1 3.55Å; R411-E428 IonicContact CZ-OE2 2.93Å; R411-E428 IonicContact NE-OE1 3.78Å; R411-E428 PolarHBondContact NE-OE1 3.25Å; R411-E428 IonicContact NE-OE2 3.29Å; R411-E428 PolarHBondContact NE-OE2 3.35Å; R411-E428 IonicContact NH2-OE1 2.79Å; R411-E428 PolarHBondContact NH2-OE1 3.11Å; R411-E428 IonicContact NH2-OE2 2.88Å; F426-E428 VanDerWaalsContact C-N 3.3Å; F426-E428 PolarHBondContact O-N 3.42Å; F426-E428 VanDerWaalsContact O-N 3.15Å; E428-R432 WeakPolarHBondContact O-CB 3.26Å; E428-R432 PolarHBondContact O-N 3.15Å; E428-R432 VanDerWaalsContact O-N 3.09Å
429	A	87.8	Confident	83.7	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-72.5	-39.4	179.4	0	0	0	0	0	112	F394 I404 I408 L412 F426 D427 R432 A433	F394-A429 HydrophobicContact CZ-CB 3.95Å; I404-A429 HydrophobicContact CD1-CB 4.04Å; I408-A429 HydrophobicContact CG2-CB 3.98Å; L412-A429 HydrophobicContact CD2-CB 4.33Å; F426-A429 PolarHBondContact O-N 3.35Å; D427-A429 PolarHBondContact O-N 3.09Å; A429-R432 PolarHBondContact O-N 3.22Å; A429-A433 PolarHBondContact O-N 2.85Å
430	Q	86.4	Confident	84.8	Confident	19 Å²	19	45.2 Å²	45.2	9%	0.089	22%	0.218	C	C	.	.	H	α-helix	trans	-68.9	-45.1	178.1	-170	-174.5	34.5	0	0	111.1	Y344 V347 E348 F426 D427 R432 A433 Y434	Y344-Q430 HydrophobicContact CD2-CG 3.36Å; Y344-Q430 HydrophobicContact CE2-CG 3.49Å; Y344-Q430 VanDerWaalsContact CE2-CG 3.49Å; Y344-Q430 HydrophobicContact CG-CG 4.11Å; Y344-Q430 PolarHBondContact O-NE2 3.21Å; V347-Q430 HydrophobicContact CG1-CB 4.18Å; V347-Q430 HydrophobicContact CG1-CG 4.22Å; E348-Q430 PolarHBondContact OE2-NE2 3.14Å; F426-Q430 WeakPolarHBondContact O-CB 3.27Å; F426-Q430 PolarHBondContact O-N 3.06Å; D427-Q430 PolarHBondContact O-N 2.91Å; Q430-R432 VanDerWaalsContact C-N 3.28Å; Q430-R432 PolarHBondContact O-N 3.03Å; Q430-A433 PolarHBondContact O-N 3.02Å; Q430-Y434 PolarHBondContact O-N 2.95Å
431	Q	88.9	Confident	85.5	Confident	103 Å²	103	48 Å²	48	48%	0.481	23%	0.229	S	C	.	.	H	α-helix	trans	-58.2	-42.8	173.7	-178	60.5	32.9	0	0	110.9	D427 A433 Y434 E435	D427-Q431 WeakPolarHBondContact O-CB 3.34Å; D427-Q431 PolarHBondContact O-N 2.91Å; Q431-A433 PolarHBondContact O-N 3.32Å; Q431-Y434 WeakPolarHBondContact O-CB 3.35Å; Q431-Y434 PolarHBondContact O-N 2.75Å; Q431-E435 WeakPolarHBondContact O-CG 3.11Å; Q431-E435 PolarHBondContact O-N 2.93Å
432	R	91.9	Very high	86.3	Confident	79 Å²	79	50.6 Å²	50.6	30%	0.298	24%	0.236	S	C	.	.	H	α-helix	trans	-63.9	-40.8	177	-171.8	63.9	-180	128.9	8.4	112.6	I404 D405 I408 E428 A429 Q430 E435 I436	I404-R432 HydrophobicContact CB-CG 4.3Å; I404-R432 HydrophobicContact CG2-CB 4.48Å; I404-R432 HydrophobicContact CG2-CG 3.98Å; D405-R432 IonicContact OD2-CZ 3.22Å; D405-R432 IonicContact OD2-NE 3.68Å; D405-R432 PolarHBondContact OD2-NE 3.48Å; D405-R432 IonicContact OD2-NH2 3.68Å; I408-R432 HydrophobicContact CD1-CB 3.87Å; I408-R432 HydrophobicContact CD1-CG 3.77Å; E428-R432 WeakPolarHBondContact O-CB 3.26Å; E428-R432 PolarHBondContact O-N 3.15Å; E428-R432 VanDerWaalsContact O-N 3.09Å; A429-R432 PolarHBondContact O-N 3.22Å; Q430-R432 VanDerWaalsContact C-N 3.28Å; Q430-R432 PolarHBondContact O-N 3.03Å; R432-E435 IonicContact CZ-OE2 3.06Å; R432-E435 IonicContact NH1-OE2 3.97Å; R432-E435 PolarHBondContact NH1-OE2 3.07Å; R432-E435 PolarHBondContact O-N 3.19Å; R432-I436 HydrophobicContact CG-CD1 4.22Å; R432-I436 VanDerWaalsContact O-CG1 3.3Å; R432-I436 WeakPolarHBondContact O-CG1 3.48Å; R432-I436 PolarHBondContact O-N 3.34Å
433	A	89.6	Confident	87.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.7	-39.9	175.5	0	0	0	0	0	112.2	Y340 M343 A429 Q430 Q431 I436 L437	Y340-A433 HydrophobicContact CD1-CB 4.36Å; M343-A433 HydrophobicContact CE-CB 3.55Å; A429-A433 PolarHBondContact O-N 2.85Å; Q430-A433 PolarHBondContact O-N 3.02Å; Q431-A433 PolarHBondContact O-N 3.32Å; A433-I436 PolarHBondContact O-N 2.93Å; A433-L437 WeakPolarHBondContact O-CG 3.33Å; A433-L437 PolarHBondContact O-N 3.09Å
434	Y	90.6	Very high	88.6	Confident	30 Å²	30	50.1 Å²	50.1	12%	0.118	23%	0.233	C	C	.	.	H	α-helix	trans	-59.1	-49.1	173.1	-179.7	-82	0	0	0	111.3	L315 A316 L319 Y344 Q430 Q431 I436 L437 E438	L315-Y434 HydrophobicContact CB-CE2 4.33Å; L315-Y434 HydrophobicContact CD2-CD2 4.1Å; L315-Y434 HydrophobicContact CD2-CE1 4.47Å; L315-Y434 HydrophobicContact CD2-CE2 3.84Å; L315-Y434 HydrophobicContact CG-CE2 3.91Å; A316-Y434 PolarHBondContact N-OH 2.88Å; A316-Y434 VanDerWaalsContact N-OH 3.14Å; L319-Y434 HydrophobicContact CD1-CD2 3.62Å; L319-Y434 HydrophobicContact CD1-CE2 3.67Å; Y344-Y434 HydrophobicContact CE2-CD2 4.01Å; Y344-Y434 HydrophobicContact CE2-CG 4.41Å; Q430-Y434 PolarHBondContact O-N 2.95Å; Q431-Y434 WeakPolarHBondContact O-CB 3.35Å; Q431-Y434 PolarHBondContact O-N 2.75Å; Y434-I436 VanDerWaalsContact C-N 3.28Å; Y434-I436 PolarHBondContact O-N 2.77Å; Y434-L437 PolarHBondContact O-N 3.38Å; Y434-E438 HydrophobicContact CE1-CB 4.3Å; Y434-E438 HydrophobicContact CE1-CG 4.49Å; Y434-E438 WeakPolarHBondContact CE1-OE2 3.19Å; Y434-E438 WeakPolarHBondContact O-CB 3.21Å; Y434-E438 PolarHBondContact O-N 3.26Å; Y434-E438 PolarHBondContact OH-OE1 2.92Å
435	E	92.1	Very high	89.3	Confident	69 Å²	69	46.1 Å²	46.1	32%	0.322	22%	0.218	S	C	.	.	H	α-helix	trans	-58.4	-39.8	177.9	-73.5	170.7	-172.2	0	0	112.6	Q431 R432 N439	Q431-E435 WeakPolarHBondContact O-CG 3.11Å; Q431-E435 PolarHBondContact O-N 2.93Å; R432-E435 IonicContact CZ-OE2 3.06Å; R432-E435 IonicContact NH1-OE2 3.97Å; R432-E435 PolarHBondContact NH1-OE2 3.07Å; R432-E435 PolarHBondContact O-N 3.19Å; E435-N439 VanDerWaalsContact O-CB 3.3Å; E435-N439 WeakPolarHBondContact O-CB 3.29Å; E435-N439 PolarHBondContact O-N 3.13Å; E435-N439 PolarHBondContact O-ND2 3.11Å
436	I	92.6	Very high	89.6	Confident	20 Å²	20	47.1 Å²	47.1	10%	0.103	23%	0.226	C	C	.	.	H	α-helix	trans	-66.2	-48.7	177.2	-70	167.6	0	0	0	110.1	Y340 I404 R432 A433 Y434 E438 D440 F443	Y340-I436 HydrophobicContact CD1-CB 4.35Å; Y340-I436 HydrophobicContact CD1-CD1 4.26Å; Y340-I436 HydrophobicContact CD1-CG2 4Å; Y340-I436 HydrophobicContact CE1-CB 4.3Å; Y340-I436 HydrophobicContact CE1-CD1 3.6Å; Y340-I436 HydrophobicContact CE1-CG2 3.79Å; Y340-I436 HydrophobicContact CG-CG2 4.46Å; I404-I436 HydrophobicContact CG2-CD1 3.97Å; R432-I436 HydrophobicContact CG-CD1 4.22Å; R432-I436 VanDerWaalsContact O-CG1 3.3Å; R432-I436 WeakPolarHBondContact O-CG1 3.48Å; R432-I436 PolarHBondContact O-N 3.34Å; A433-I436 PolarHBondContact O-N 2.93Å; Y434-I436 VanDerWaalsContact C-N 3.28Å; Y434-I436 PolarHBondContact O-N 2.77Å; I436-E438 VanDerWaalsContact C-N 3.27Å; I436-E438 PolarHBondContact O-N 3.15Å; I436-D440 HydrophobicContact CG2-CB 4.39Å; I436-D440 WeakPolarHBondContact O-CB 3.35Å; I436-D440 PolarHBondContact O-N 3.4Å; I436-F443 HydrophobicContact CG2-CD2 4.15Å; I436-F443 HydrophobicContact CG2-CE2 3.74Å
437	L	92.4	Very high	89.8	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.5	-39.7	177.5	-74.4	168.7	0	0	0	112	L315 F328 L332 I341 A433 Y434 F443 Y444	L315-L437 HydrophobicContact CD2-CB 3.82Å; F328-L437 HydrophobicContact CZ-CD2 4.47Å; L332-L437 HydrophobicContact CD1-CD2 3.96Å; I341-L437 HydrophobicContact CB-CD1 4.2Å; I341-L437 HydrophobicContact CD1-CD1 4.03Å; A433-L437 WeakPolarHBondContact O-CG 3.33Å; A433-L437 PolarHBondContact O-N 3.09Å; Y434-L437 PolarHBondContact O-N 3.38Å; L437-F443 HydrophobicContact CD2-CB 4.35Å; L437-F443 HydrophobicContact CD2-CD2 4.34Å; L437-F443 HydrophobicContact CD2-CG 4.37Å; L437-Y444 WeakPolarHBondContact O-CB 3.48Å; L437-Y444 PolarHBondContact O-N 2.92Å
438	E	92.5	Very high	89.9	Confident	65 Å²	65	46.6 Å²	46.6	30%	0.304	22%	0.221	S	C	.	.	H	α-helix	trans	-74.6	-43.1	-177.2	-168	170.9	-124.5	0	0	113.2	L315 Y434 I436 P445	L315-E438 HydrophobicContact CB-CG 4.29Å; L315-E438 HydrophobicContact CD2-CB 3.7Å; L315-E438 HydrophobicContact CD2-CG 4.35Å; Y434-E438 HydrophobicContact CE1-CB 4.3Å; Y434-E438 HydrophobicContact CE1-CG 4.49Å; Y434-E438 WeakPolarHBondContact CE1-OE2 3.19Å; Y434-E438 WeakPolarHBondContact O-CB 3.21Å; Y434-E438 PolarHBondContact O-N 3.26Å; Y434-E438 PolarHBondContact OH-OE1 2.92Å; I436-E438 VanDerWaalsContact C-N 3.27Å; I436-E438 PolarHBondContact O-N 3.15Å; E438-P445 WeakPolarHBondContact O-CD 3.44Å; E438-P445 WeakPolarHBondContact O-CG 3.33Å
439	N	92	Very high	89.7	Confident	115 Å²	115	51.6 Å²	51.6	62%	0.615	24%	0.236	S	C	*	.	H	α-helix	trans	-102.9	-24.6	-167.6	-62.8	-68.8	0	0	0	114.4	E435 I441	E435-N439 VanDerWaalsContact O-CB 3.3Å; E435-N439 WeakPolarHBondContact O-CB 3.29Å; E435-N439 PolarHBondContact O-N 3.13Å; E435-N439 PolarHBondContact O-ND2 3.11Å; N439-I441 PolarHBondContact O-N 2.85Å
440	D	91.2	Very high	89.5	Confident	42 Å²	42	52 Å²	52	23%	0.225	24%	0.239	C	C	.	.			trans	-70.2	124.4	178.2	-169.4	-41.3	0	0	0	109.7	I436 R442 F443 P445	I436-D440 HydrophobicContact CG2-CB 4.39Å; I436-D440 WeakPolarHBondContact O-CB 3.35Å; I436-D440 PolarHBondContact O-N 3.4Å; D440-R442 PolarHBondContact O-N 2.82Å; D440-R442 WeakPolarHBondContact OD1-CB 3.32Å; D440-R442 WeakPolarHBondContact OD1-CG 3.48Å; D440-R442 IonicContact OD1-CZ 2.7Å; D440-R442 PolarHBondContact OD1-N 3.42Å; D440-R442 IonicContact OD1-NE 2.72Å; D440-R442 PolarHBondContact OD1-NE 3.49Å; D440-R442 IonicContact OD2-CZ 3.81Å; D440-R442 IonicContact OD2-NE 3.79Å; D440-R442 PolarHBondContact OD2-NE 2.87Å; D440-R442 IonicContact OD2-NH2 3.99Å; D440-R442 PolarHBondContact OD2-NH2 3.4Å; D440-F443 HydrophobicContact CB-CD2 3.67Å; D440-F443 HydrophobicContact CB-CE2 3.91Å; D440-F443 PolarHBondContact O-N 3.33Å; D440-F443 VanDerWaalsContact O-N 3.07Å; D440-P445 WeakPolarHBondContact O-CD 3.36Å
441	I	88.5	Confident	89.4	Confident	120 Å²	120	54.7 Å²	54.7	62%	0.615	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.4	-175.1	-159.3	163.6	0	0	0	113.4	N439 F443 S446	N439-I441 PolarHBondContact O-N 2.85Å; I441-F443 VanDerWaalsContact C-N 3.34Å; I441-S446 VanDerWaalsContact O-CB 3.24Å; I441-S446 WeakPolarHBondContact O-CB 3.38Å; I441-S446 PolarHBondContact O-N 3.42Å; I441-S446 PolarHBondContact O-OG 3.3Å
442	R	87	Confident	89.1	Confident	122 Å²	122	51.4 Å²	51.4	46%	0.46	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-15	-178.8	-61.5	177.4	-66.8	162.4	-0.1	114.3	D336 D440 S446	D336-R442 IonicContact OD2-NH1 3.4Å; D440-R442 PolarHBondContact O-N 2.82Å; D440-R442 WeakPolarHBondContact OD1-CB 3.32Å; D440-R442 WeakPolarHBondContact OD1-CG 3.48Å; D440-R442 IonicContact OD1-CZ 2.7Å; D440-R442 PolarHBondContact OD1-N 3.42Å; D440-R442 IonicContact OD1-NE 2.72Å; D440-R442 PolarHBondContact OD1-NE 3.49Å; D440-R442 IonicContact OD2-CZ 3.81Å; D440-R442 IonicContact OD2-NE 3.79Å; D440-R442 PolarHBondContact OD2-NE 2.87Å; D440-R442 IonicContact OD2-NH2 3.99Å; D440-R442 PolarHBondContact OD2-NH2 3.4Å; R442-S446 PolarHBondContact O-OG 3.13Å
443	F	92.9	Very high	88.7	Confident	1 Å²	1	47.7 Å²	47.7	0%	0.004	24%	0.235	C	C	.	.	S	Bend	trans	-115.8	-101.1	-169.4	-52.5	-39.8	0	0	0	112.2	L332 Y340 I436 L437 D440 I441 S446 F447	L332-F443 HydrophobicContact CD2-CB 4.07Å; L332-F443 HydrophobicContact CD2-CD1 3.97Å; L332-F443 HydrophobicContact CD2-CG 4.36Å; Y340-F443 HydrophobicContact CD2-CE2 4.37Å; Y340-F443 HydrophobicContact CD2-CZ 4.36Å; Y340-F443 HydrophobicContact CE2-CE2 4.39Å; Y340-F443 HydrophobicContact CE2-CZ 4.31Å; I436-F443 HydrophobicContact CG2-CD2 4.15Å; I436-F443 HydrophobicContact CG2-CE2 3.74Å; L437-F443 HydrophobicContact CD2-CB 4.35Å; L437-F443 HydrophobicContact CD2-CD2 4.34Å; L437-F443 HydrophobicContact CD2-CG 4.37Å; D440-F443 HydrophobicContact CB-CD2 3.67Å; D440-F443 HydrophobicContact CB-CE2 3.91Å; D440-F443 PolarHBondContact O-N 3.33Å; D440-F443 VanDerWaalsContact O-N 3.07Å; I441-F443 VanDerWaalsContact C-N 3.34Å; F443-S446 PolarHBondContact N-OG 3.46Å; F443-S446 PolarHBondContact O-N 2.98Å; F443-S446 PolarHBondContact O-OG 3.35Å; F443-F447 WeakPolarHBondContact O-CB 3.37Å; F443-F447 PolarHBondContact O-N 3.08Å
444	Y	91.5	Very high	88.2	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-65.9	-43.2	-175.3	-168.9	-117.5	0	0	0	114.2	L313 S314 L315 V318 F328 L437 S446 F447 K448	L313-Y444 VanDerWaalsContact C-OH 3.27Å; L313-Y444 PolarHBondContact O-OH 3.32Å; S314-Y444 PolarHBondContact O-OH 2.78Å; L315-Y444 HydrophobicContact CB-CD1 3.96Å; L315-Y444 HydrophobicContact CB-CD2 4.39Å; L315-Y444 HydrophobicContact CB-CE1 3.99Å; L315-Y444 HydrophobicContact CB-CE2 4.43Å; L315-Y444 HydrophobicContact CB-CG 4.17Å; L315-Y444 HydrophobicContact CD1-CD2 3.7Å; L315-Y444 HydrophobicContact CD1-CE2 4.07Å; L315-Y444 HydrophobicContact CD1-CG 4.04Å; V318-Y444 HydrophobicContact CB-CE2 4.28Å; V318-Y444 HydrophobicContact CG1-CE2 4.5Å; V318-Y444 HydrophobicContact CG2-CE2 3.82Å; V318-Y444 WeakPolarHBondContact CG2-OH 3.34Å; F328-Y444 HydrophobicContact CD2-CD2 4.38Å; F328-Y444 AromaticContact CE2-CD2 3.9Å; F328-Y444 HydrophobicContact CE2-CD2 3.9Å; F328-Y444 HydrophobicContact CZ-CD2 4Å; L437-Y444 WeakPolarHBondContact O-CB 3.48Å; L437-Y444 PolarHBondContact O-N 2.92Å; Y444-S446 VanDerWaalsContact C-N 3.31Å; Y444-S446 PolarHBondContact O-N 2.89Å; Y444-F447 HydrophobicContact CD2-CD1 4.03Å; Y444-F447 AromaticContact CE2-CD1 3.9Å; Y444-F447 HydrophobicContact CE2-CD1 3.9Å; Y444-F447 HydrophobicContact CE2-CE1 4.45Å; Y444-F447 WeakPolarHBondContact O-CB 3.05Å; Y444-F447 PolarHBondContact O-N 3.21Å; Y444-K448 HydrophobicContact CD1-CD 4.29Å; Y444-K448 HydrophobicContact CE1-CD 3.69Å; Y444-K448 HydrophobicContact CE1-CG 4.13Å; Y444-K448 HydrophobicContact CE2-CG 4.38Å; Y444-K448 PolarHBondContact O-N 3.03Å
445	P	89.2	Confident	87.8	Confident	29 Å²	29	52.7 Å²	52.7	19%	0.188	26%	0.259	C	S	.	.	H	α-helix	trans	-60.7	-36	176.2	-24.1	36	0	0	0	113.8	E438 D440	E438-P445 WeakPolarHBondContact O-CD 3.44Å; E438-P445 WeakPolarHBondContact O-CG 3.33Å; D440-P445 WeakPolarHBondContact O-CD 3.36Å
446	S	88.2	Confident	87.2	Confident	27 Å²	27	49.4 Å²	49.4	19%	0.189	24%	0.243	C	C	.	.	H	α-helix	trans	-76.3	-34.7	175.6	59.5	0	0	0	0	112.2	Y331 I441 R442 F443 Y444 K448 R449 S450	Y331-S446 VanDerWaalsContact OH-C 3.23Å; Y331-S446 WeakPolarHBondContact OH-CB 3.13Å; Y331-S446 PolarHBondContact OH-O 3.41Å; Y331-S446 PolarHBondContact OH-OG 3.49Å; I441-S446 VanDerWaalsContact O-CB 3.24Å; I441-S446 WeakPolarHBondContact O-CB 3.38Å; I441-S446 PolarHBondContact O-N 3.42Å; I441-S446 PolarHBondContact O-OG 3.3Å; R442-S446 PolarHBondContact O-OG 3.13Å; F443-S446 PolarHBondContact N-OG 3.46Å; F443-S446 PolarHBondContact O-N 2.98Å; F443-S446 PolarHBondContact O-OG 3.35Å; Y444-S446 VanDerWaalsContact C-N 3.31Å; Y444-S446 PolarHBondContact O-N 2.89Å; S446-K448 VanDerWaalsContact C-N 3.33Å; S446-K448 PolarHBondContact O-N 3.5Å; S446-R449 CarbonylContact O-C 3.2Å; S446-R449 PolarHBondContact O-N 3.46Å; S446-S450 PolarHBondContact O-N 2.9Å
447	F	89	Confident	86.3	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-56.6	-47.2	171.6	176.6	-123.7	0	0	0	111.1	F328 Y331 F443 Y444 R449 S450 A452 Y453 L456	F328-F447 HydrophobicContact CB-CD1 4.48Å; F328-F447 HydrophobicContact CB-CE1 4.06Å; F328-F447 HydrophobicContact CB-CZ 4.18Å; F328-F447 HydrophobicContact CD2-CB 3.95Å; F328-F447 AromaticContact CD2-CD1 3.52Å; F328-F447 HydrophobicContact CD2-CD1 3.52Å; F328-F447 HydrophobicContact CD2-CD2 4.18Å; F328-F447 AromaticContact CD2-CE1 3.97Å; F328-F447 HydrophobicContact CD2-CE1 3.97Å; F328-F447 AromaticContact CD2-CG 3.62Å; F328-F447 HydrophobicContact CD2-CG 3.62Å; F328-F447 HydrophobicContact CD2-CZ 4.48Å; F328-F447 HydrophobicContact CE2-CB 3.91Å; F328-F447 HydrophobicContact CE2-CD1 4.12Å; F328-F447 HydrophobicContact CE2-CG 4.1Å; F328-F447 HydrophobicContact CG-CD1 4.32Å; F328-F447 HydrophobicContact CG-CE1 4.37Å; Y331-F447 HydrophobicContact CD1-CB 3.62Å; Y331-F447 AromaticContact CD1-CD2 3.75Å; Y331-F447 HydrophobicContact CD1-CD2 3.75Å; Y331-F447 HydrophobicContact CD1-CG 4.05Å; Y331-F447 AromaticContact CD2-CD2 3.85Å; Y331-F447 HydrophobicContact CD2-CD2 3.85Å; Y331-F447 HydrophobicContact CE1-CB 3.63Å; Y331-F447 HydrophobicContact CE1-CD2 4.42Å; Y331-F447 HydrophobicContact CE1-CG 4.5Å; Y331-F447 HydrophobicContact CG-CB 4.18Å; Y331-F447 AromaticContact CG-CD2 3.42Å; Y331-F447 HydrophobicContact CG-CD2 3.42Å; Y331-F447 VanDerWaalsContact CG-CD2 3.42Å; Y331-F447 HydrophobicContact CG-CE2 4.22Å; Y331-F447 HydrophobicContact CG-CG 4.2Å; Y331-F447 PolarHBondContact OH-N 3.34Å; F443-F447 WeakPolarHBondContact O-CB 3.37Å; F443-F447 PolarHBondContact O-N 3.08Å; Y444-F447 HydrophobicContact CD2-CD1 4.03Å; Y444-F447 AromaticContact CE2-CD1 3.9Å; Y444-F447 HydrophobicContact CE2-CD1 3.9Å; Y444-F447 HydrophobicContact CE2-CE1 4.45Å; Y444-F447 WeakPolarHBondContact O-CB 3.05Å; Y444-F447 PolarHBondContact O-N 3.21Å; F447-R449 PolarHBondContact O-N 3.37Å; F447-S450 VanDerWaalsContact O-CB 3.27Å; F447-S450 WeakPolarHBondContact O-CB 3.19Å; F447-S450 PolarHBondContact O-N 3.41Å; F447-S450 PolarHBondContact O-OG 3.16Å; F447-A452 HydrophobicContact CD2-CB 4.45Å; F447-A452 HydrophobicContact CE2-CB 3.94Å; F447-Y453 AromaticContact CD1-CD2 3.91Å; F447-Y453 HydrophobicContact CD1-CD2 3.91Å; F447-Y453 AromaticContact CE1-CD2 3.57Å; F447-Y453 HydrophobicContact CE1-CD2 3.57Å; F447-Y453 HydrophobicContact CE1-CE2 4.22Å; F447-Y453 HydrophobicContact CZ-CD2 4.03Å; F447-Y453 VanDerWaalsContact O-CB 3.25Å; F447-Y453 WeakPolarHBondContact O-CB 3.4Å; F447-L456 HydrophobicContact CE1-CD2 4.17Å; F447-L456 HydrophobicContact CZ-CD2 4.03Å
448	K	84.8	Confident	85.3	Confident	56 Å²	56	50.9 Å²	50.9	24%	0.243	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.6	176.7	-69.9	-164.8	-71.3	-176.4	0	114.2	D312 Y444 S446 Y453	D312-K448 VanDerWaalsContact OD1-CD 3.25Å; D312-K448 WeakPolarHBondContact OD1-CD 3.49Å; D312-K448 IonicContact OD1-NZ 2.81Å; D312-K448 PolarHBondContact OD1-NZ 3.33Å; D312-K448 IonicContact OD2-NZ 2.74Å; Y444-K448 HydrophobicContact CD1-CD 4.29Å; Y444-K448 HydrophobicContact CE1-CD 3.69Å; Y444-K448 HydrophobicContact CE1-CG 4.13Å; Y444-K448 HydrophobicContact CE2-CG 4.38Å; Y444-K448 PolarHBondContact O-N 3.03Å; S446-K448 VanDerWaalsContact C-N 3.33Å; S446-K448 PolarHBondContact O-N 3.5Å; K448-Y453 HydrophobicContact CG-CD2 4.44Å; K448-Y453 HydrophobicContact CG-CE2 4.12Å
449	R	84.2	Confident	84.2	Confident	181 Å²	181	49.1 Å²	49.1	68%	0.683	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	24	176	-60.7	179	-175.5	169.8	2.3	112	W304 S446 F447	W304-R449 WeakPolarHBondContact CH2-O 3.4Å; W304-R449 WeakPolarHBondContact CZ3-O 3.15Å; S446-R449 CarbonylContact O-C 3.2Å; S446-R449 PolarHBondContact O-N 3.46Å; F447-R449 PolarHBondContact O-N 3.37Å
450	S	85	Confident	83.1	Confident	9 Å²	9	44.7 Å²	44.7	6%	0.063	23%	0.227	C	C	.	.	S	Bend	trans	-113	154	-179.6	76.2	0	0	0	0	111.7	S446 F447 A452 Y453	S446-S450 PolarHBondContact O-N 2.9Å; F447-S450 VanDerWaalsContact O-CB 3.27Å; F447-S450 WeakPolarHBondContact O-CB 3.19Å; F447-S450 PolarHBondContact O-N 3.41Å; F447-S450 PolarHBondContact O-OG 3.16Å; S450-A452 PolarHBondContact O-N 2.81Å; S450-A452 PolarHBondContact OG-N 3.28Å; S450-Y453 WeakPolarHBondContact O-CB 3.48Å; S450-Y453 PolarHBondContact O-N 3.49Å; S450-Y453 VanDerWaalsContact O-N 3.1Å; S450-Y453 PolarHBondContact OG-N 3.23Å
451	P	82.5	Confident	81.8	Confident	77 Å²	77	48.1 Å²	48.1	50%	0.5	24%	0.24	S	C	.	.	H	α-helix	trans	-56.7	-29.9	170.3	-24.9	34	0	0	0	113.2	W304 Y453 V454 K455	W304-P451 HydrophobicContact CD2-CG 4.26Å; W304-P451 HydrophobicContact CH2-CG 4.31Å; W304-P451 HydrophobicContact CZ2-CG 3.95Å; P451-Y453 VanDerWaalsContact C-N 3.26Å; P451-Y453 PolarHBondContact O-N 3.48Å; P451-V454 PolarHBondContact O-N 3.41Å; P451-V454 VanDerWaalsContact O-N 3.17Å; P451-K455 PolarHBondContact O-N 2.82Å
452	A	84.1	Confident	80.7	Confident	34 Å²	34	44.9 Å²	44.9	28%	0.281	22%	0.223	S	C	.	.	H	α-helix	trans	-61.5	-34.2	177.5	0	0	0	0	0	112.2	Y331 F447 S450 K455 L456	Y331-A452 HydrophobicContact CD2-CB 4.5Å; F447-A452 HydrophobicContact CD2-CB 4.45Å; F447-A452 HydrophobicContact CE2-CB 3.94Å; S450-A452 PolarHBondContact O-N 2.81Å; S450-A452 PolarHBondContact OG-N 3.28Å; A452-K455 PolarHBondContact O-N 2.96Å; A452-L456 PolarHBondContact O-N 3.5Å
453	Y	83.9	Confident	79.3	Confident	1 Å²	1	41.4 Å²	41.4	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-69.6	-38.1	175.6	-170	-108.2	0	0	0	112.5	A308 Y311 L313 F447 K448 S450 P451 K455 L456 L457	A308-Y453 HydrophobicContact CB-CD1 4.3Å; Y311-Y453 WeakPolarHBondContact O-CE1 3.45Å; Y311-Y453 PolarHBondContact O-OH 3.37Å; Y311-Y453 VanDerWaalsContact O-OH 3.05Å; L313-Y453 HydrophobicContact CB-CE2 4.44Å; L313-Y453 VanDerWaalsContact CB-OH 3.26Å; L313-Y453 WeakPolarHBondContact CB-OH 3.49Å; L313-Y453 HydrophobicContact CD1-CE2 4.12Å; L313-Y453 WeakPolarHBondContact CG-OH 3.16Å; L313-Y453 PolarHBondContact N-OH 2.83Å; F447-Y453 AromaticContact CD1-CD2 3.91Å; F447-Y453 HydrophobicContact CD1-CD2 3.91Å; F447-Y453 AromaticContact CE1-CD2 3.57Å; F447-Y453 HydrophobicContact CE1-CD2 3.57Å; F447-Y453 HydrophobicContact CE1-CE2 4.22Å; F447-Y453 HydrophobicContact CZ-CD2 4.03Å; F447-Y453 VanDerWaalsContact O-CB 3.25Å; F447-Y453 WeakPolarHBondContact O-CB 3.4Å; K448-Y453 HydrophobicContact CG-CD2 4.44Å; K448-Y453 HydrophobicContact CG-CE2 4.12Å; S450-Y453 WeakPolarHBondContact O-CB 3.48Å; S450-Y453 PolarHBondContact O-N 3.49Å; S450-Y453 VanDerWaalsContact O-N 3.1Å; S450-Y453 PolarHBondContact OG-N 3.23Å; P451-Y453 VanDerWaalsContact C-N 3.26Å; P451-Y453 PolarHBondContact O-N 3.48Å; Y453-K455 VanDerWaalsContact C-N 3.35Å; Y453-L456 HydrophobicContact CD2-CD2 4.28Å; Y453-L456 HydrophobicContact CE2-CD2 4.45Å; Y453-L456 WeakPolarHBondContact O-CB 3.38Å; Y453-L456 PolarHBondContact O-N 2.84Å; Y453-L457 HydrophobicContact CD1-CD1 4.01Å; Y453-L457 HydrophobicContact CD1-CG 4.31Å; Y453-L457 HydrophobicContact CE1-CD1 3.83Å; Y453-L457 HydrophobicContact CE1-CD2 4.34Å; Y453-L457 HydrophobicContact CE1-CG 4.14Å; Y453-L457 WeakPolarHBondContact O-CG 3.43Å; Y453-L457 PolarHBondContact O-N 3.44Å
454	V	78.3	Confident	76.9	Confident	21 Å²	21	48 Å²	48	13%	0.127	25%	0.248	C	C	.	.	H	α-helix	trans	-65.9	-41	174.9	-177.6	0	0	0	0	110.6	W304 C307 A308 P451 L456 L457 A458 L463	W304-V454 HydrophobicContact CB-CG1 4.42Å; W304-V454 HydrophobicContact CB-CG2 4.19Å; W304-V454 HydrophobicContact CE3-CG2 3.88Å; W304-V454 WeakPolarHBondContact O-CG2 3.32Å; C307-V454 HydrophobicContact CB-CG1 4.09Å; A308-V454 HydrophobicContact CB-CG2 3.81Å; P451-V454 PolarHBondContact O-N 3.41Å; P451-V454 VanDerWaalsContact O-N 3.17Å; V454-L456 VanDerWaalsContact C-N 3.32Å; V454-L456 PolarHBondContact O-N 3.33Å; V454-L457 PolarHBondContact O-N 3.49Å; V454-A458 PolarHBondContact O-N 3.38Å; V454-L463 HydrophobicContact CG1-CD1 3.71Å; V454-L463 WeakPolarHBondContact O-CD1 3.33Å
455	K	81.1	Confident	74.4	Confident	113 Å²	113	53.3 Å²	53.3	49%	0.491	28%	0.283	S	S	.	.	H	α-helix	trans	-58.5	-45.2	172.5	-167.5	-174.6	-179	-151.5	0	111.2	P451 A452 Y453 L457 A458 E459 D819	P451-K455 PolarHBondContact O-N 2.82Å; A452-K455 PolarHBondContact O-N 2.96Å; Y453-K455 VanDerWaalsContact C-N 3.35Å; K455-L457 PolarHBondContact O-N 3.33Å; K455-A458 WeakPolarHBondContact O-CB 3.43Å; K455-A458 PolarHBondContact O-N 3.27Å; K455-A458 VanDerWaalsContact O-N 3.17Å; K455-E459 WeakPolarHBondContact CE-OE1 3.42Å; K455-E459 IonicContact NZ-OE1 2.79Å; K455-E459 PolarHBondContact NZ-OE1 2.95Å; K455-E459 PolarHBondContact O-N 2.93Å; K455-D819 WeakPolarHBondContact CE-OD2 3.21Å; K455-D819 IonicContact NZ-OD2 2.74Å; K455-D819 PolarHBondContact NZ-OD2 3.13Å
456	L	80.3	Confident	71.7	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-58.3	-46.5	174.8	171.3	61.8	0	0	0	112.3	L313 V323 A324 F447 A452 Y453 V454 A458 E459 L460	L313-L456 HydrophobicContact CD1-CD2 4.36Å; V323-L456 HydrophobicContact CB-CD1 4.48Å; V323-L456 HydrophobicContact CG1-CD1 3.92Å; A324-L456 HydrophobicContact CB-CD1 3.88Å; A324-L456 HydrophobicContact CB-CD2 3.77Å; A324-L456 HydrophobicContact CB-CG 4.42Å; F447-L456 HydrophobicContact CE1-CD2 4.17Å; F447-L456 HydrophobicContact CZ-CD2 4.03Å; A452-L456 PolarHBondContact O-N 3.5Å; Y453-L456 HydrophobicContact CD2-CD2 4.28Å; Y453-L456 HydrophobicContact CE2-CD2 4.45Å; Y453-L456 WeakPolarHBondContact O-CB 3.38Å; Y453-L456 PolarHBondContact O-N 2.84Å; V454-L456 VanDerWaalsContact C-N 3.32Å; V454-L456 PolarHBondContact O-N 3.33Å; L456-A458 VanDerWaalsContact C-N 3.26Å; L456-A458 PolarHBondContact O-N 2.89Å; L456-E459 PolarHBondContact O-N 3.5Å; L456-L460 HydrophobicContact CD1-CD1 3.74Å; L456-L460 HydrophobicContact CD1-CD2 4.48Å; L456-L460 HydrophobicContact CD1-CG 3.82Å; L456-L460 HydrophobicContact CG-CD1 3.95Å; L456-L460 HydrophobicContact CG-CG 4.4Å; L456-L460 WeakPolarHBondContact O-CB 3.39Å; L456-L460 WeakPolarHBondContact O-CG 3.38Å; L456-L460 PolarHBondContact O-N 3.33Å
457	L	74.5	Confident	69	Low	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61.8	-35.5	177.5	-66.8	177	0	0	0	111.8	Y311 L313 Y453 V454 K455 K461 L462 L463	Y311-L457 HydrophobicContact CG-CD2 4.44Å; L313-L457 HydrophobicContact CD1-CD2 3.93Å; L313-L457 HydrophobicContact CG-CD2 4.32Å; Y453-L457 HydrophobicContact CD1-CD1 4.01Å; Y453-L457 HydrophobicContact CD1-CG 4.31Å; Y453-L457 HydrophobicContact CE1-CD1 3.83Å; Y453-L457 HydrophobicContact CE1-CD2 4.34Å; Y453-L457 HydrophobicContact CE1-CG 4.14Å; Y453-L457 WeakPolarHBondContact O-CG 3.43Å; Y453-L457 PolarHBondContact O-N 3.44Å; V454-L457 PolarHBondContact O-N 3.49Å; K455-L457 PolarHBondContact O-N 3.33Å; L457-K461 PolarHBondContact O-N 3.31Å; L457-L462 HydrophobicContact CB-CB 4.43Å; L457-L462 HydrophobicContact CD2-CB 4.3Å; L457-L462 HydrophobicContact CD2-CD1 3.65Å; L457-L462 WeakPolarHBondContact O-CB 3.48Å; L457-L462 PolarHBondContact O-N 2.96Å; L457-L463 HydrophobicContact CB-CD1 4.08Å; L457-L463 HydrophobicContact CB-CD2 4.12Å; L457-L463 HydrophobicContact CB-CG 3.77Å; L457-L463 HydrophobicContact CD1-CD2 4.38Å; L457-L463 PolarHBondContact O-N 3.48Å
458	A	70.1	Confident	66.1	Low	51 Å²	51	74.6 Å²	74.6	42%	0.421	38%	0.379	S	S	.	.	H	α-helix	trans	-65	-47.7	173	0	0	0	0	0	111.7	V454 K455 L456 L460 K461 L463	V454-A458 PolarHBondContact O-N 3.38Å; K455-A458 WeakPolarHBondContact O-CB 3.43Å; K455-A458 PolarHBondContact O-N 3.27Å; K455-A458 VanDerWaalsContact O-N 3.17Å; L456-A458 VanDerWaalsContact C-N 3.26Å; L456-A458 PolarHBondContact O-N 2.89Å; A458-L460 VanDerWaalsContact C-N 3.31Å; A458-L460 PolarHBondContact O-N 3.42Å; A458-K461 WeakPolarHBondContact O-CA 3.49Å; A458-K461 PolarHBondContact O-N 2.83Å; A458-L463 HydrophobicContact CB-CD1 3.99Å
459	E	70.5	Confident	63.5	Low	29 Å²	29	77.4 Å²	77.4	14%	0.136	41%	0.406	C	S	.	.	H	α-helix	trans	-63.5	-36.2	180	-75.4	-177.2	-154.9	0	0	112.6	V323 K455 L456 K461	V323-E459 HydrophobicContact CG1-CB 4.11Å; V323-E459 WeakPolarHBondContact CG1-OE2 3.17Å; K455-E459 WeakPolarHBondContact CE-OE1 3.42Å; K455-E459 IonicContact NZ-OE1 2.79Å; K455-E459 PolarHBondContact NZ-OE1 2.95Å; K455-E459 PolarHBondContact O-N 2.93Å; L456-E459 PolarHBondContact O-N 3.5Å; E459-K461 PolarHBondContact O-N 3.2Å
460	L	68.4	Low	60.7	Low	21 Å²	21	76 Å²	76	11%	0.11	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	1	172.6	-66.1	177.6	0	0	0	113.3	L313 F317 V323 L456 A458 L462 L814	L313-L460 HydrophobicContact CD1-CD1 4.05Å; F317-L460 HydrophobicContact CE1-CD1 3.89Å; F317-L460 HydrophobicContact CZ-CD1 4.25Å; V323-L460 HydrophobicContact CB-CD2 4.32Å; L456-L460 HydrophobicContact CD1-CD1 3.74Å; L456-L460 HydrophobicContact CD1-CD2 4.48Å; L456-L460 HydrophobicContact CD1-CG 3.82Å; L456-L460 HydrophobicContact CG-CD1 3.95Å; L456-L460 HydrophobicContact CG-CG 4.4Å; L456-L460 WeakPolarHBondContact O-CB 3.39Å; L456-L460 WeakPolarHBondContact O-CG 3.38Å; L456-L460 PolarHBondContact O-N 3.33Å; A458-L460 VanDerWaalsContact C-N 3.31Å; A458-L460 PolarHBondContact O-N 3.42Å; L460-L462 HydrophobicContact CB-CD1 4.03Å; L460-L462 HydrophobicContact CB-CG 4.01Å; L460-L462 HydrophobicContact CD1-CD1 4.21Å; L460-L462 PolarHBondContact O-N 3.05Å; L460-L814 HydrophobicContact CD2-CD1 4.33Å
461	K	63.7	Low	58.1	Low	115 Å²	115	84.2 Å²	84.2	50%	0.5	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	32.4	-176.3	-59.2	-171.8	169.8	-167.5	0	113.5	E227 L457 A458 E459	E227-K461 IonicContact OE1-NZ 3.36Å; E227-K461 IonicContact OE2-NZ 4Å; E227-K461 PolarHBondContact OE2-NZ 3.39Å; L457-K461 PolarHBondContact O-N 3.31Å; A458-K461 WeakPolarHBondContact O-CA 3.49Å; A458-K461 PolarHBondContact O-N 2.83Å; E459-K461 PolarHBondContact O-N 3.2Å
462	L	65.2	Low	55.6	Low	51 Å²	51	86.9 Å²	86.9	27%	0.267	47%	0.465	S	S	.	.			trans	-87.7	-24	175.6	-64.1	173.5	0	0	0	112.3	Y311 L313 L457 L460 L464	Y311-L462 HydrophobicContact CD2-CB 4.3Å; Y311-L462 HydrophobicContact CE1-CD2 4.47Å; Y311-L462 HydrophobicContact CE2-CB 4.28Å; Y311-L462 VanDerWaalsContact CE2-O 3.24Å; Y311-L462 WeakPolarHBondContact CE2-O 3.34Å; Y311-L462 HydrophobicContact CG-CB 4.49Å; Y311-L462 PolarHBondContact OH-O 3.36Å; L313-L462 HydrophobicContact CD2-CD1 4.25Å; L457-L462 HydrophobicContact CB-CB 4.43Å; L457-L462 HydrophobicContact CD2-CB 4.3Å; L457-L462 HydrophobicContact CD2-CD1 3.65Å; L457-L462 WeakPolarHBondContact O-CB 3.48Å; L457-L462 PolarHBondContact O-N 2.96Å; L460-L462 HydrophobicContact CB-CD1 4.03Å; L460-L462 HydrophobicContact CB-CG 4.01Å; L460-L462 HydrophobicContact CD1-CD1 4.21Å; L460-L462 PolarHBondContact O-N 3.05Å; L462-L464 PolarHBondContact O-N 2.97Å
463	L	57.4	Low	53	Low	49 Å²	49	91.1 Å²	91.1	26%	0.257	48%	0.482	S	S	.	.			trans	-84.5	89.1	170.6	-59.1	179	0	0	0	109.3	C307 V454 L457 A458	C307-L463 HydrophobicContact CB-CD2 4.09Å; V454-L463 HydrophobicContact CG1-CD1 3.71Å; V454-L463 WeakPolarHBondContact O-CD1 3.33Å; L457-L463 HydrophobicContact CB-CD1 4.08Å; L457-L463 HydrophobicContact CB-CD2 4.12Å; L457-L463 HydrophobicContact CB-CG 3.77Å; L457-L463 HydrophobicContact CD1-CD2 4.38Å; L457-L463 PolarHBondContact O-N 3.48Å; A458-L463 HydrophobicContact CB-CD1 3.99Å
464	L	43.8	Very low	50.4	Low	141 Å²	141	96.2 Å²	96.2	74%	0.738	52%	0.515	S	S	*	.			trans	-71.7	139.2	165.5	-81.5	158.5	0	0	0	109	L462 Q466	L462-L464 PolarHBondContact O-N 2.97Å; L464-Q466 PolarHBondContact O-N 3.23Å
465	P	37.9	Very low	48.1	Very low	115 Å²	115	102.9 Å²	102.9	75%	0.747	54%	0.543	S	S	*	.			trans	-56.2	117.1	171.8	-17.4	28.6	0	0	0	108.3	D467	P465-D467 PolarHBondContact O-N 3.4Å; P465-D467 VanDerWaalsContact O-N 3.13Å
466	Q	32	Very low	45.4	Very low	157 Å²	157	102.4 Å²	102.4	73%	0.734	55%	0.554	S	S	*	*			trans	-67.6	111.7	162.7	-70.1	-146.3	-18.7	0	0	106.4	L464 K468	L464-Q466 PolarHBondContact O-N 3.23Å; Q466-K468 PolarHBondContact O-N 3.4Å
467	D	31.7	Very low	42.9	Very low	159 Å²	159	109.7 Å²	109.7	85%	0.85	59%	0.591	S	S	*	*			trans	-52.5	100.5	157.7	-86.2	-30.6	0	0	0	105.9	P465 S469	P465-D467 PolarHBondContact O-N 3.4Å; P465-D467 VanDerWaalsContact O-N 3.13Å; D467-S469 PolarHBondContact O-N 2.9Å
468	K	29.8	Very low	40.8	Very low	187 Å²	187	114.1 Å²	114.1	81%	0.813	62%	0.62	S	S	*	*			trans	-57.5	114.2	170.2	-83.1	-174.9	174.5	-178.6	0	105.6	Q466 D470	Q466-K468 PolarHBondContact O-N 3.4Å; K468-D470 PolarHBondContact O-N 3.49Å
469	S	28.8	Very low	38.8	Very low	115 Å²	115	117.7 Å²	117.7	80%	0.804	64%	0.639	S	S	*	*			trans	-54.7	81.3	169.3	53.6	0	0	0	0	109.9	D467	D467-S469 PolarHBondContact O-N 2.9Å
470	D	26.8	Very low	36.6	Very low	152 Å²	152	122.5 Å²	122.5	81%	0.813	67%	0.671	S	S	*	*			trans	-100.7	127.4	152.2	-84.9	-30.9	0	0	0	107.5	K468	K468-D470 PolarHBondContact O-N 3.49Å
471	E	28.7	Very low	34.5	Very low	180 Å²	180	127.6 Å²	127.6	84%	0.841	70%	0.703	S	S	*	*	S	Bend	trans	-51.2	153.3	-173.2	-61.7	179.7	145.3	0	0	112.7
472	T	29.6	Very low	32.6	Very low	134 Å²	134	127.7 Å²	127.7	82%	0.822	72%	0.718	S	S	*	*			trans	79.3	80.9	-178.6	69.7	0	0	0	0	114.4	P474	T472-P474 VanDerWaalsContact O-CD 3.24Å; T472-P474 WeakPolarHBondContact O-CD 3.49Å
473	N	29.6	Very low	30.8	Very low	122 Å²	122	131.7 Å²	131.7	65%	0.652	74%	0.744	S	S	*	*			trans	-100.8	98.5	159.5	-169.2	-6.5	0	0	0	109.2	F475	N473-F475 PolarHBondContact O-N 3.24Å; N473-F475 WeakPolarHBondContact OD1-CA 3.32Å; N473-F475 WeakPolarHBondContact OD1-CB 3.35Å; N473-F475 WeakPolarHBondContact OD1-CD2 3.27Å; N473-F475 PolarHBondContact OD1-N 3.08Å
474	P	30.1	Very low	29.4	Very low	108 Å²	108	137.7 Å²	137.7	70%	0.701	78%	0.775	S	S	*	*			trans	-71.5	1.6	169.4	-14.6	29.3	0	0	0	113.7	T472 S476	T472-P474 VanDerWaalsContact O-CD 3.24Å; T472-P474 WeakPolarHBondContact O-CD 3.49Å; P474-S476 VanDerWaalsContact C-N 3.33Å; P474-S476 PolarHBondContact O-N 2.94Å
475	F	29.5	Very low	28.5	Very low	162 Å²	162	134 Å²	134	71%	0.711	77%	0.772	S	S	*	*			trans	-90.7	35.4	-171.9	-59.6	-82	0	0	0	115	N473 I477	N473-F475 PolarHBondContact O-N 3.24Å; N473-F475 WeakPolarHBondContact OD1-CA 3.32Å; N473-F475 WeakPolarHBondContact OD1-CB 3.35Å; N473-F475 WeakPolarHBondContact OD1-CD2 3.27Å; N473-F475 PolarHBondContact OD1-N 3.08Å; F475-I477 PolarHBondContact O-N 3.34Å
476	S	25.6	Very low	27.9	Very low	102 Å²	102	135.5 Å²	135.5	71%	0.713	77%	0.773	S	S	*	*			trans	-87.3	101.2	164.1	53	0	0	0	0	110	P474 P478	P474-S476 VanDerWaalsContact C-N 3.33Å; P474-S476 PolarHBondContact O-N 2.94Å; S476-P478 WeakPolarHBondContact O-CD 3.46Å
477	I	27.9	Very low	27.8	Very low	154 Å²	154	136.9 Å²	136.9	79%	0.79	78%	0.78	S	S	*	*			trans	-78.3	118.3	173.6	-60.2	169.8	0	0	0	109.2	F475	F475-I477 PolarHBondContact O-N 3.34Å
478	P	29.6	Very low	27.5	Very low	93 Å²	93	135.3 Å²	135.3	60%	0.604	78%	0.776	S	S	*	*			trans	-76.9	144.2	161.8	-2.4	21.1	0	0	0	109.3	S476 T480	S476-P478 WeakPolarHBondContact O-CD 3.46Å; P478-T480 PolarHBondContact O-N 2.9Å
479	P	27.3	Very low	27.4	Very low	126 Å²	126	133.9 Å²	133.9	82%	0.818	78%	0.777	S	S	*	*			trans	-73.3	90	-178.8	28.9	-32.1	0	0	0	110.3	T481	P479-T481 PolarHBondContact O-N 3.27Å
480	T	25.8	Very low	27.3	Very low	130 Å²	130	133.8 Å²	133.8	80%	0.798	78%	0.777	S	S	*	*			trans	-83.1	111.3	174.8	28.7	0	0	0	0	111.7	P478	P478-T480 PolarHBondContact O-N 2.9Å
481	T	23.6	Very low	27.3	Very low	128 Å²	128	129.9 Å²	129.9	79%	0.785	77%	0.772	S	S	*	*			trans	-52.5	125	159.7	41	0	0	0	0	112.9	P479 V483	P479-T481 PolarHBondContact O-N 3.27Å; T481-V483 PolarHBondContact O-N 2.87Å
482	S	25	Very low	27.1	Very low	117 Å²	117	130.7 Å²	130.7	82%	0.818	78%	0.776	S	S	*	*			trans	23.7	90.5	138.7	178.2	0	0	0	0	118
483	V	26	Very low	27.1	Very low	134 Å²	134	130.1 Å²	130.1	81%	0.812	77%	0.772	S	S	*	*			trans	-157.4	119.6	144.6	-175.7	0	0	0	0	107.7	T481	T481-V483 PolarHBondContact O-N 2.87Å
484	L	28.1	Very low	27	Very low	175 Å²	175	132.3 Å²	132.3	92%	0.916	78%	0.784	S	S	*	*			trans	173.3	102.8	149.5	-90.8	172.9	0	0	0	103.4
485	G	25.4	Very low	26.9	Very low	64 Å²	64	132.6 Å²	132.6	66%	0.66	79%	0.788	S	S	*	*			cis	94.5	86.4	41.8	0	0	0	0	0	106.9	Q487	G485-Q487 PolarHBondContact O-N 3.16Å
486	D	25.4	Very low	26.8	Very low	147 Å²	147	128.9 Å²	128.9	79%	0.786	79%	0.788	S	S	*	*			trans	-43	116.7	174.4	-165.7	15.2	0	0	0	112.2
487	Q	28.8	Very low	27.1	Very low	186 Å²	186	130.5 Å²	130.5	87%	0.869	79%	0.793	S	S	*	*			trans	-136.4	97.7	159.3	-74.4	-164.9	0.2	0	0	108.6	G485 D489	G485-Q487 PolarHBondContact O-N 3.16Å; Q487-D489 PolarHBondContact O-N 2.9Å
488	T	25.7	Very low	27.3	Very low	126 Å²	126	129.4 Å²	129.4	77%	0.773	79%	0.794	S	S	*	*			trans	-55.9	119.9	158.7	49.3	0	0	0	0	109.6
489	D	28.2	Very low	27.9	Very low	156 Å²	156	132.6 Å²	132.6	83%	0.834	80%	0.798	S	S	*	*			trans	-124.5	123.7	156.8	-156.6	4	0	0	0	109.8	Q487 G491	Q487-D489 PolarHBondContact O-N 2.9Å; D489-G491 PolarHBondContact O-N 3.34Å
490	S	26.5	Very low	29.3	Very low	113 Å²	113	130.5 Å²	130.5	79%	0.79	78%	0.78	S	S	*	*			trans	-85.8	91.8	-170.6	45.3	0	0	0	0	109.5
491	G	27	Very low	31.2	Very low	70 Å²	70	126.6 Å²	126.6	72%	0.722	76%	0.756	S	S	*	*			trans	-90.5	95	168.4	0	0	0	0	0	111.1	D489 V493	D489-G491 PolarHBondContact O-N 3.34Å; G491-V493 PolarHBondContact O-N 3.39Å
492	E	25.4	Very low	33.8	Very low	197 Å²	197	123.4 Å²	123.4	92%	0.921	74%	0.736	S	S	*	*			trans	-66.1	103	175.2	-154.8	171.3	-153.9	0	0	109.8
493	V	28.5	Very low	36.6	Very low	123 Å²	123	119.1 Å²	119.1	75%	0.745	70%	0.702	S	S	*	*			trans	-125.1	112.2	171.8	-179.8	0	0	0	0	108.6	G491 S495	G491-V493 PolarHBondContact O-N 3.39Å; V493-S495 PolarHBondContact O-N 3.4Å
494	D	26.8	Very low	39.5	Very low	167 Å²	167	117 Å²	117	89%	0.893	68%	0.683	S	S	*	*			trans	-39.9	95.8	174.2	-81.3	-40.3	0	0	0	112.8
495	S	28.4	Very low	42.5	Very low	114 Å²	114	108.7 Å²	108.7	80%	0.797	64%	0.64	S	S	*	*			trans	-104.6	100.7	166.4	-79.8	0	0	0	0	109.1	V493 T497	V493-S495 PolarHBondContact O-N 3.4Å; S495-T497 PolarHBondContact O-N 3.12Å
496	A	28.2	Very low	45.7	Very low	84 Å²	84	108.6 Å²	108.6	69%	0.694	62%	0.624	S	S	*	*			trans	-41.2	103.4	165	0	0	0	0	0	111.6	V498	A496-V498 VanDerWaalsContact C-N 3.3Å; A496-V498 PolarHBondContact O-N 2.81Å
497	T	31.1	Very low	48.8	Very low	136 Å²	136	101.8 Å²	101.8	83%	0.834	59%	0.588	S	S	*	*			trans	23.5	52.3	145.5	44.1	0	0	0	0	118.2	S495 K499	S495-T497 PolarHBondContact O-N 3.12Å; T497-K499 PolarHBondContact O-N 3.4Å; T497-K499 VanDerWaalsContact O-N 3.13Å
498	V	32	Very low	51.2	Low	131 Å²	131	97.6 Å²	97.6	79%	0.794	57%	0.567	S	S	*	*			trans	-74.8	100.1	156.7	-178.5	0	0	0	0	105.9	A496 D500	A496-V498 VanDerWaalsContact C-N 3.3Å; A496-V498 PolarHBondContact O-N 2.81Å; V498-D500 PolarHBondContact O-N 3.47Å
499	K	43	Very low	53.7	Low	161 Å²	161	95.2 Å²	95.2	70%	0.7	55%	0.552	S	S	*	*			trans	-51.9	108.9	179.8	-69	178	176.4	179.7	0	109.3	T497 V501	T497-K499 PolarHBondContact O-N 3.4Å; T497-K499 VanDerWaalsContact O-N 3.13Å; K499-V501 PolarHBondContact O-N 2.93Å
500	D	57.5	Low	56	Low	82 Å²	82	89.9 Å²	89.9	44%	0.439	52%	0.523	S	S	.	.			trans	-58.1	99.3	-179.7	-83.7	-34.7	0	0	0	109.3	V498 K603	V498-D500 PolarHBondContact O-N 3.47Å; D500-K603 WeakPolarHBondContact OD1-CE 3.38Å; D500-K603 IonicContact OD1-NZ 3.86Å; D500-K603 PolarHBondContact OD1-NZ 3.4Å; D500-K603 IonicContact OD2-NZ 2.62Å; D500-K603 PolarHBondContact OD2-NZ 3.25Å
501	V	64.5	Low	58.1	Low	48 Å²	48	85.4 Å²	85.4	29%	0.291	50%	0.495	S	S	.	.			trans	-87.7	126.5	168.1	170.7	0	0	0	0	106.8	K499 Y503 K529 F530	K499-V501 PolarHBondContact O-N 2.93Å; V501-Y503 HydrophobicContact CG1-CD2 4.38Å; V501-Y503 HydrophobicContact CG1-CE1 4.41Å; V501-Y503 HydrophobicContact CG1-CE2 3.78Å; V501-K529 HydrophobicContact CG1-CD 3.97Å; V501-K529 VanDerWaalsContact CG1-CE 3.4Å; V501-K529 HydrophobicContact CG1-CG 3.5Å; V501-K529 VanDerWaalsContact CG1-CG 3.5Å; V501-F530 WeakPolarHBondContact CA-O 3.44Å; V501-F530 WeakPolarHBondContact CG1-O 3.27Å
502	V	79	Confident	59.9	Low	61 Å²	61	89.1 Å²	89.1	37%	0.37	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	133.1	178.1	-177.6	0	0	0	0	109.3	F530	V502-F530 PolarHBondContact N-O 3.15Å; V502-F530 PolarHBondContact O-N 2.96Å
503	Y	83.7	Confident	61.4	Low	27 Å²	27	80.5 Å²	80.5	11%	0.106	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	129.7	173.6	-64.4	-87.2	0	0	0	109.6	V501 K528 K529 W540 L613	V501-Y503 HydrophobicContact CG1-CD2 4.38Å; V501-Y503 HydrophobicContact CG1-CE1 4.41Å; V501-Y503 HydrophobicContact CG1-CE2 3.78Å; Y503-K528 CarbonylContact C-O 3.55Å; Y503-K528 WeakPolarHBondContact CA-O 3.29Å; Y503-K529 HydrophobicContact CD1-CB 4.01Å; Y503-K529 HydrophobicContact CD1-CG 4.2Å; Y503-K529 HydrophobicContact CE1-CB 3.83Å; Y503-K529 HydrophobicContact CE1-CD 3.82Å; Y503-K529 HydrophobicContact CE1-CG 3.68Å; Y503-K529 PolarHBondContact OH-NZ 3.17Å; Y503-W540 HydrophobicContact CD1-CH2 4.34Å; Y503-W540 HydrophobicContact CE1-CH2 4.21Å; Y503-L613 HydrophobicContact CD1-CD2 4.34Å; Y503-L613 HydrophobicContact CD2-CD2 4.38Å; Y503-L613 HydrophobicContact CE1-CD2 3.76Å; Y503-L613 HydrophobicContact CE2-CD2 3.81Å; Y503-L613 VanDerWaalsContact CZ-CD2 3.48Å
504	E	86.5	Confident	62.5	Low	88 Å²	88	80.3 Å²	80.3	41%	0.411	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.5	171.3	-163.1	-170.2	174.2	0	0	109.7	V527 K528 F530	E504-V527 WeakPolarHBondContact O-CA 3.26Å; E504-K528 PolarHBondContact N-O 3.35Å; E504-K528 PolarHBondContact O-N 3.05Å; E504-F530 HydrophobicContact CB-CD2 4.3Å; E504-F530 HydrophobicContact CB-CE2 3.66Å
505	T	91.6	Very high	63.5	Low	2 Å²	2	75.2 Å²	75.2	1%	0.012	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	142.5	175.2	57.7	0	0	0	0	112.1	I525 E526 V527 K594 L597 L616	T505-I525 HydrophobicContact CG2-CG2 4.25Å; T505-E526 CarbonylContact C-O 3.56Å; T505-E526 VanDerWaalsContact CA-O 3.25Å; T505-E526 WeakPolarHBondContact CA-O 3.38Å; T505-V527 HydrophobicContact CG2-CG1 4.23Å; T505-V527 HydrophobicContact CG2-CG2 4.28Å; T505-K594 VanDerWaalsContact O-CE 3.29Å; T505-K594 WeakPolarHBondContact O-CE 3.29Å; T505-L597 HydrophobicContact CG2-CD1 3.37Å; T505-L616 HydrophobicContact CG2-CD1 3.84Å; T505-L616 HydrophobicContact CG2-CD2 4.01Å
506	N	91.5	Very high	64.5	Low	62 Å²	62	78.6 Å²	78.6	33%	0.332	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	122.1	170	-169.2	25.4	0	0	0	111.8	K508 E526 N590	N506-K508 PolarHBondContact O-N 3.37Å; N506-K508 VanDerWaalsContact O-N 3.15Å; N506-E526 PolarHBondContact N-O 3.15Å; N506-E526 WeakPolarHBondContact O-CB 3.42Å; N506-E526 PolarHBondContact O-N 3.29Å; N506-N590 WeakPolarHBondContact CA-OD1 3.25Å; N506-N590 PolarHBondContact OD1-ND2 2.87Å; N506-N590 VanDerWaalsContact OD1-ND2 3.11Å
507	I	90.1	Very high	65.6	Low	3 Å²	3	80.3 Å²	80.3	2%	0.015	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	102.4	173.6	-53.2	-178.9	0	0	0	109.1	Y523 N524 I525 F549 K586 L589 N590	I507-Y523 HydrophobicContact CG2-CD1 4.03Å; I507-Y523 HydrophobicContact CG2-CG 4.37Å; I507-N524 CarbonylContact C-O 3.53Å; I507-N524 WeakPolarHBondContact CA-O 3.38Å; I507-I525 HydrophobicContact CG1-CG1 4.27Å; I507-I525 HydrophobicContact CG1-CG2 4.48Å; I507-F549 HydrophobicContact CD1-CZ 3.93Å; I507-K586 HydrophobicContact CB-CG 4.12Å; I507-K586 HydrophobicContact CG2-CG 3.76Å; I507-K586 WeakPolarHBondContact O-CE 3.34Å; I507-L589 HydrophobicContact CD1-CB 3.62Å; I507-N590 HydrophobicContact CB-CB 4.45Å; I507-N590 HydrophobicContact CD1-CB 4.16Å; I507-N590 HydrophobicContact CG1-CB 4.16Å; I507-N590 PolarHBondContact N-OD1 3.29Å
508	K	80.2	Confident	66.5	Low	99 Å²	99	78.1 Å²	78.1	43%	0.43	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-58.7	-173.9	-81.9	-168.9	169.9	169.2	0	112.9	N506 N524 E526 K586	N506-K508 PolarHBondContact O-N 3.37Å; N506-K508 VanDerWaalsContact O-N 3.15Å; K508-N524 PolarHBondContact N-O 3.16Å; K508-E526 HydrophobicContact CD-CB 4.26Å; K508-E526 WeakPolarHBondContact CE-OE1 3.46Å; K508-E526 WeakPolarHBondContact CE-OE2 3.15Å; K508-E526 HydrophobicContact CG-CB 4.22Å; K508-E526 VanDerWaalsContact NZ-CD 3.26Å; K508-E526 IonicContact NZ-OE1 2.87Å; K508-E526 PolarHBondContact NZ-OE1 2.95Å; K508-E526 IonicContact NZ-OE2 2.98Å; K508-E526 PolarHBondContact NZ-OE2 3.47Å; K508-K586 VanDerWaalsContact O-CE 3.29Å; K508-K586 WeakPolarHBondContact O-CE 2.94Å; K508-K586 PolarHBondContact O-NZ 3.1Å
509	T	78	Confident	68	Low	75 Å²	75	76.8 Å²	76.8	46%	0.46	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	151.3	-171.1	56.1	0	0	0	0	111.5	N524	T509-N524 PolarHBondContact O-N 3.48Å; T509-N524 WeakPolarHBondContact OG1-CB 3.44Å; T509-N524 PolarHBondContact OG1-ND2 3.36Å
510	I	76.3	Confident	69.5	Low	44 Å²	44	70.7 Å²	70.7	23%	0.226	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	116.5	169.2	-48.7	-176.8	0	0	0	105.8	A521 V522 Y523 L582 E583 K586	I510-A521 HydrophobicContact CG2-CB 4.2Å; I510-V522 CarbonylContact C-O 3.59Å; I510-V522 WeakPolarHBondContact CA-O 3.47Å; I510-Y523 HydrophobicContact CD1-CE1 4.27Å; I510-Y523 HydrophobicContact CG1-CD1 4.29Å; I510-Y523 HydrophobicContact CG1-CE1 4.25Å; I510-Y523 HydrophobicContact CG2-CE1 4.37Å; I510-L582 HydrophobicContact CD1-CB 3.76Å; I510-L582 WeakPolarHBondContact CD1-O 3.33Å; I510-L582 HydrophobicContact CG2-CB 4.49Å; I510-L582 HydrophobicContact CG2-CD1 4.34Å; I510-E583 HydrophobicContact CD1-CG 4.28Å; I510-E583 WeakPolarHBondContact CD1-OE1 3.44Å; I510-K586 HydrophobicContact CD1-CB 3.95Å; I510-K586 HydrophobicContact CD1-CD 3.96Å; I510-K586 HydrophobicContact CD1-CG 4.42Å; I510-K586 HydrophobicContact CG1-CB 4.36Å; I510-K586 HydrophobicContact CG1-CD 3.89Å; I510-K586 HydrophobicContact CG1-CG 4.37Å
511	G	71.2	Confident	70.4	Confident	20 Å²	20	67.5 Å²	67.5	21%	0.206	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	168	171.9	0	0	0	0	0	111.2	A521 V522	G511-A521 WeakPolarHBondContact O-CA 3.49Å; G511-V522 VanDerWaalsContact C-CG2 3.47Å; G511-V522 PolarHBondContact N-O 3.31Å; G511-V522 WeakPolarHBondContact O-CG2 3.38Å; G511-V522 PolarHBondContact O-N 2.97Å
512	M	63.6	Low	71.3	Confident	148 Å²	148	65.9 Å²	65.9	73%	0.729	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	122.7	167.6	-63.5	-168.7	-62.4	0	0	108.5	I519 F520 M577	M512-I519 HydrophobicContact CB-CG2 4.09Å; M512-I519 HydrophobicContact CG-CG2 4.39Å; M512-I519 HydrophobicContact SD-CG2 4.1Å; M512-F520 CarbonylContact C-O 3.12Å; M512-F520 WeakPolarHBondContact CA-O 3.43Å; M512-M577 HydrophobicContact CG-CE 4.26Å; M512-M577 HydrophobicContact SD-CE 4.07Å
513	G	58.2	Low	71.7	Confident	16 Å²	16	63 Å²	63	17%	0.165	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	152.5	166.7	0	0	0	0	0	110.3	I519 F520	G513-I519 WeakPolarHBondContact O-CA 3.4Å; G513-F520 PolarHBondContact N-O 3.38Å; G513-F520 PolarHBondContact O-N 3Å
514	N	51.3	Low	71.9	Confident	118 Å²	118	63.4 Å²	63.4	63%	0.631	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	119.6	174.2	-175.3	0.5	0	0	0	108.6
515	E	47.4	Very low	72.1	Confident	61 Å²	61	59.2 Å²	59.2	29%	0.285	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	122.4	170.3	-102.3	172	158.7	0	0	108	S517 T518 F520 R545 G623	E515-S517 VanDerWaalsContact C-N 3.27Å; E515-S517 PolarHBondContact O-N 2.92Å; E515-T518 PolarHBondContact N-O 2.97Å; E515-T518 WeakPolarHBondContact O-CA 3.44Å; E515-T518 PolarHBondContact O-N 3.48Å; E515-T518 PolarHBondContact O-OG1 3.47Å; E515-F520 HydrophobicContact CB-CD1 4.44Å; E515-F520 HydrophobicContact CB-CE1 3.71Å; E515-F520 HydrophobicContact CG-CE1 3.97Å; E515-F520 HydrophobicContact CG-CZ 4.42Å; E515-R545 IonicContact OE2-CZ 2.65Å; E515-R545 IonicContact OE2-NH1 2.69Å; E515-R545 PolarHBondContact OE2-NH1 3.49Å; E515-G623 VanDerWaalsContact OE1-C 3.29Å; E515-G623 WeakPolarHBondContact OE1-CA 3.39Å
516	Q	50.4	Low	72.1	Confident	185 Å²	185	59.8 Å²	59.8	86%	0.864	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.3	49.6	168	-60.1	-177.5	-6	0	0	113.7	T518	Q516-T518 VanDerWaalsContact C-N 3.33Å; Q516-T518 PolarHBondContact O-N 3.29Å
517	S	50.9	Low	72	Confident	120 Å²	120	56.9 Å²	56.9	84%	0.839	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	1.5	-179.5	-7	0	0	0	0	116.6	E515	E515-S517 VanDerWaalsContact C-N 3.27Å; E515-S517 PolarHBondContact O-N 2.92Å
518	T	50.4	Low	72	Confident	89 Å²	89	59.8 Å²	59.8	55%	0.546	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	125.3	175.4	64.4	0	0	0	0	111.2	E515 Q516	E515-T518 PolarHBondContact N-O 2.97Å; E515-T518 WeakPolarHBondContact O-CA 3.44Å; E515-T518 PolarHBondContact O-N 3.48Å; E515-T518 PolarHBondContact O-OG1 3.47Å; Q516-T518 VanDerWaalsContact C-N 3.33Å; Q516-T518 PolarHBondContact O-N 3.29Å
519	I	63.5	Low	72.2	Confident	103 Å²	103	57.3 Å²	57.3	53%	0.528	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	129.1	176.6	-57.7	162.9	0	0	0	108.4	M512 G513 M577	M512-I519 HydrophobicContact CB-CG2 4.09Å; M512-I519 HydrophobicContact CG-CG2 4.39Å; M512-I519 HydrophobicContact SD-CG2 4.1Å; G513-I519 WeakPolarHBondContact O-CA 3.4Å; I519-M577 HydrophobicContact CG2-CE 3.78Å
520	F	72.9	Confident	72.5	Confident	34 Å²	34	55.6 Å²	55.6	15%	0.149	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	152.7	177.9	57.3	-91.4	0	0	0	111.5	M512 G513 E515 V522 R545	M512-F520 CarbonylContact C-O 3.12Å; M512-F520 WeakPolarHBondContact CA-O 3.43Å; G513-F520 PolarHBondContact N-O 3.38Å; G513-F520 PolarHBondContact O-N 3Å; E515-F520 HydrophobicContact CB-CD1 4.44Å; E515-F520 HydrophobicContact CB-CE1 3.71Å; E515-F520 HydrophobicContact CG-CE1 3.97Å; E515-F520 HydrophobicContact CG-CZ 4.42Å; F520-V522 HydrophobicContact CD2-CG1 3.73Å; F520-V522 HydrophobicContact CE2-CG1 3.46Å; F520-V522 VanDerWaalsContact CE2-CG1 3.46Å; F520-R545 HydrophobicContact CD2-CG 3.79Å; F520-R545 VanDerWaalsContact CE2-CD 3.48Å; F520-R545 HydrophobicContact CE2-CG 3.9Å
521	A	77.9	Confident	72.5	Confident	15 Å²	15	55.1 Å²	55.1	12%	0.124	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	133.8	175.6	0	0	0	0	0	111.1	I510 G511 M577 L582	I510-A521 HydrophobicContact CG2-CB 4.2Å; G511-A521 WeakPolarHBondContact O-CA 3.49Å; A521-M577 HydrophobicContact CB-SD 4.49Å; A521-L582 HydrophobicContact CB-CD1 4.11Å; A521-L582 HydrophobicContact CB-CD2 3.53Å; A521-L582 HydrophobicContact CB-CG 4.47Å
522	V	83.2	Confident	72.5	Confident	13 Å²	13	60.5 Å²	60.5	8%	0.079	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	147.2	171.9	-70.7	0	0	0	0	110.2	I510 G511 F520 T543 R545	I510-V522 CarbonylContact C-O 3.59Å; I510-V522 WeakPolarHBondContact CA-O 3.47Å; G511-V522 VanDerWaalsContact C-CG2 3.47Å; G511-V522 PolarHBondContact N-O 3.31Å; G511-V522 WeakPolarHBondContact O-CG2 3.38Å; G511-V522 PolarHBondContact O-N 2.97Å; F520-V522 HydrophobicContact CD2-CG1 3.73Å; F520-V522 HydrophobicContact CE2-CG1 3.46Å; F520-V522 VanDerWaalsContact CE2-CG1 3.46Å; V522-T543 HydrophobicContact CB-CG2 3.66Å; V522-T543 HydrophobicContact CG1-CG2 4.14Å; V522-T543 HydrophobicContact CG2-CG2 4.01Å; V522-R545 HydrophobicContact CG1-CG 3.88Å
523	Y	86.5	Confident	73	Confident	1 Å²	1	58.1 Å²	58.1	0%	0.004	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120.1	-178.6	-60.8	-78.7	0	0	0	109	I507 I510 I525 T543 R544 F549 R585 K586 L589	I507-Y523 HydrophobicContact CG2-CD1 4.03Å; I507-Y523 HydrophobicContact CG2-CG 4.37Å; I510-Y523 HydrophobicContact CD1-CE1 4.27Å; I510-Y523 HydrophobicContact CG1-CD1 4.29Å; I510-Y523 HydrophobicContact CG1-CE1 4.25Å; I510-Y523 HydrophobicContact CG2-CE1 4.37Å; Y523-I525 PolarHBondContact O-N 3.43Å; Y523-T543 WeakPolarHBondContact O-CA 3.5Å; Y523-R544 PolarHBondContact N-O 2.91Å; Y523-R544 PolarHBondContact O-N 3.48Å; Y523-F549 HydrophobicContact CD2-CE2 4.24Å; Y523-R585 WeakPolarHBondContact OH-CD 3.26Å; Y523-R585 WeakPolarHBondContact OH-CG 3.25Å; Y523-K586 HydrophobicContact CD1-CB 4.31Å; Y523-K586 HydrophobicContact CE1-CB 4.03Å; Y523-L589 HydrophobicContact CD1-CD1 4.45Å; Y523-L589 HydrophobicContact CD2-CD1 3.89Å; Y523-L589 HydrophobicContact CE1-CD1 4.26Å; Y523-L589 HydrophobicContact CE2-CD1 3.68Å; Y523-L589 HydrophobicContact CG-CD1 4.28Å
524	N	87.8	Confident	73.8	Confident	35 Å²	35	59.8 Å²	59.8	19%	0.187	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	108.1	175.2	-67.3	-43.2	0	0	0	109.4	I507 K508 T509 I541 T543	I507-N524 CarbonylContact C-O 3.53Å; I507-N524 WeakPolarHBondContact CA-O 3.38Å; K508-N524 PolarHBondContact N-O 3.16Å; T509-N524 PolarHBondContact O-N 3.48Å; T509-N524 WeakPolarHBondContact OG1-CB 3.44Å; T509-N524 PolarHBondContact OG1-ND2 3.36Å; N524-I541 HydrophobicContact CB-CG2 4.04Å; N524-T543 WeakPolarHBondContact OD1-CG2 3.36Å; N524-T543 PolarHBondContact OD1-OG1 3.45Å
525	I	91.6	Very high	75	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	111.8	-177.7	-42.8	173.1	0	0	0	107.7	T505 I507 Y523 V527 I541 V542 R544 F549 L593 F615 L616	T505-I525 HydrophobicContact CG2-CG2 4.25Å; I507-I525 HydrophobicContact CG1-CG1 4.27Å; I507-I525 HydrophobicContact CG1-CG2 4.48Å; Y523-I525 PolarHBondContact O-N 3.43Å; I525-V527 HydrophobicContact CG2-CG2 4.29Å; I525-I541 CarbonylContact O-C 3.6Å; I525-I541 VanDerWaalsContact O-CA 3.3Å; I525-I541 WeakPolarHBondContact O-CA 3.31Å; I525-V542 HydrophobicContact CB-CG2 3.86Å; I525-V542 HydrophobicContact CD1-CG2 4.16Å; I525-V542 HydrophobicContact CG1-CG2 4.36Å; I525-V542 PolarHBondContact N-O 2.88Å; I525-V542 PolarHBondContact O-N 2.66Å; I525-R544 HydrophobicContact CD1-CB 4.02Å; I525-R544 HydrophobicContact CD1-CG 3.73Å; I525-F549 HydrophobicContact CD1-CE1 4.3Å; I525-F549 HydrophobicContact CD1-CE2 4.09Å; I525-F549 HydrophobicContact CD1-CZ 3.48Å; I525-F549 VanDerWaalsContact CD1-CZ 3.48Å; I525-F549 HydrophobicContact CG1-CZ 4.17Å; I525-L593 HydrophobicContact CD1-CD1 4.15Å; I525-L593 HydrophobicContact CG2-CD1 3.95Å; I525-F615 HydrophobicContact CD1-CE1 3.95Å; I525-L616 HydrophobicContact CD1-CD2 4.45Å; I525-L616 HydrophobicContact CG2-CD2 4.2Å
526	E	90.8	Very high	76.7	Confident	15 Å²	15	60.7 Å²	60.7	7%	0.07	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	128.6	165.4	173.6	174.4	-112.7	0	0	108.9	T505 N506 K508 K528 H539 I541	T505-E526 CarbonylContact C-O 3.56Å; T505-E526 VanDerWaalsContact CA-O 3.25Å; T505-E526 WeakPolarHBondContact CA-O 3.38Å; N506-E526 PolarHBondContact N-O 3.15Å; N506-E526 WeakPolarHBondContact O-CB 3.42Å; N506-E526 PolarHBondContact O-N 3.29Å; K508-E526 HydrophobicContact CD-CB 4.26Å; K508-E526 WeakPolarHBondContact CE-OE1 3.46Å; K508-E526 WeakPolarHBondContact CE-OE2 3.15Å; K508-E526 HydrophobicContact CG-CB 4.22Å; K508-E526 VanDerWaalsContact NZ-CD 3.26Å; K508-E526 IonicContact NZ-OE1 2.87Å; K508-E526 PolarHBondContact NZ-OE1 2.95Å; K508-E526 IonicContact NZ-OE2 2.98Å; K508-E526 PolarHBondContact NZ-OE2 3.47Å; E526-K528 HydrophobicContact CG-CG 4.4Å; E526-K528 IonicContact OE2-NZ 2.81Å; E526-H539 IonicContact OE1-CE1 3.8Å; E526-H539 PolarHBondContact OE1-CE1 2.74Å; E526-H539 IonicContact OE1-ND1 2.72Å; E526-H539 IonicContact OE1-NE2 2.94Å; E526-I541 HydrophobicContact CB-CG1 4.5Å
527	V	90.7	Very high	78.1	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.3	176.7	-166.8	0	0	0	0	108.8	E504 T505 I525 H539 W540 V542 L616	E504-V527 WeakPolarHBondContact O-CA 3.26Å; T505-V527 HydrophobicContact CG2-CG1 4.23Å; T505-V527 HydrophobicContact CG2-CG2 4.28Å; I525-V527 HydrophobicContact CG2-CG2 4.29Å; V527-H539 WeakPolarHBondContact O-CA 3.48Å; V527-W540 HydrophobicContact CB-CD2 3.99Å; V527-W540 HydrophobicContact CB-CE3 4.44Å; V527-W540 HydrophobicContact CB-CH2 4.16Å; V527-W540 HydrophobicContact CB-CZ2 3.7Å; V527-W540 HydrophobicContact CG1-CD2 4.47Å; V527-W540 HydrophobicContact CG1-CH2 3.56Å; V527-W540 HydrophobicContact CG1-CZ2 3.34Å; V527-W540 HydrophobicContact CG1-CZ3 4.22Å; V527-W540 HydrophobicContact CG2-CZ2 4.32Å; V527-W540 PolarHBondContact N-O 3.39Å; V527-W540 PolarHBondContact O-N 2.91Å; V527-V542 HydrophobicContact CG2-CG2 4.16Å; V527-L616 HydrophobicContact CG2-CB 4.31Å; V527-L616 HydrophobicContact CG2-CD2 3.97Å
528	K	88.7	Confident	79.6	Confident	64 Å²	64	58 Å²	58	28%	0.278	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132.4	175.5	-67.5	175.3	-178.8	170.2	0	109	Y503 E504 E526 F530 K538 H539	Y503-K528 CarbonylContact C-O 3.55Å; Y503-K528 WeakPolarHBondContact CA-O 3.29Å; E504-K528 PolarHBondContact N-O 3.35Å; E504-K528 PolarHBondContact O-N 3.05Å; E526-K528 HydrophobicContact CG-CG 4.4Å; E526-K528 IonicContact OE2-NZ 2.81Å; K528-F530 HydrophobicContact CB-CD2 4.31Å; K528-F530 HydrophobicContact CB-CE2 3.55Å; K528-F530 HydrophobicContact CB-CZ 3.96Å; K528-F530 HydrophobicContact CD-CE2 4.38Å; K528-F530 HydrophobicContact CD-CZ 4.06Å; K528-K538 CarbonylContact C-O 3.44Å; K528-K538 WeakPolarHBondContact CA-O 3.48Å; K528-H539 HydrophobicContact CG-CB 4.46Å
529	K	85.7	Confident	81.1	Confident	47 Å²	47	58 Å²	58	20%	0.204	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.7	175.6	177.7	179.6	172.6	127.2	0	108	V501 Y503 C536 M537 K538 W540	V501-K529 HydrophobicContact CG1-CD 3.97Å; V501-K529 VanDerWaalsContact CG1-CE 3.4Å; V501-K529 HydrophobicContact CG1-CG 3.5Å; V501-K529 VanDerWaalsContact CG1-CG 3.5Å; Y503-K529 HydrophobicContact CD1-CB 4.01Å; Y503-K529 HydrophobicContact CD1-CG 4.2Å; Y503-K529 HydrophobicContact CE1-CB 3.83Å; Y503-K529 HydrophobicContact CE1-CD 3.82Å; Y503-K529 HydrophobicContact CE1-CG 3.68Å; Y503-K529 PolarHBondContact OH-NZ 3.17Å; K529-C536 CarbonylContact O-C 3.54Å; K529-C536 WeakPolarHBondContact O-CA 3.43Å; K529-M537 HydrophobicContact CG-CB 4.47Å; K529-M537 PolarHBondContact O-N 3.32Å; K529-K538 HydrophobicContact CB-CB 4.25Å; K529-K538 PolarHBondContact N-O 2.99Å; K529-K538 PolarHBondContact O-N 3.05Å; K529-W540 HydrophobicContact CB-CZ3 4.14Å
530	F	84.2	Confident	82.2	Confident	40 Å²	40	54.6 Å²	54.6	18%	0.175	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	147.3	178.1	-63	-90.5	0	0	0	110.8	V501 V502 E504 K528 G534 Q535 C536	V501-F530 WeakPolarHBondContact CA-O 3.44Å; V501-F530 WeakPolarHBondContact CG1-O 3.27Å; V502-F530 PolarHBondContact N-O 3.15Å; V502-F530 PolarHBondContact O-N 2.96Å; E504-F530 HydrophobicContact CB-CD2 4.3Å; E504-F530 HydrophobicContact CB-CE2 3.66Å; K528-F530 HydrophobicContact CB-CD2 4.31Å; K528-F530 HydrophobicContact CB-CE2 3.55Å; K528-F530 HydrophobicContact CB-CZ 3.96Å; K528-F530 HydrophobicContact CD-CE2 4.38Å; K528-F530 HydrophobicContact CD-CZ 4.06Å; F530-G534 VanDerWaalsContact CD1-O 3.32Å; F530-G534 WeakPolarHBondContact CD1-O 3.41Å; F530-Q535 CarbonylContact C-O 3.52Å; F530-Q535 VanDerWaalsContact CA-O 3.31Å; F530-Q535 WeakPolarHBondContact CA-O 3.31Å; F530-C536 HydrophobicContact CD1-CB 4.02Å; F530-C536 HydrophobicContact CE1-CB 3.81Å; F530-C536 HydrophobicContact CZ-CB 4.49Å
531	D	76.7	Confident	82.7	Confident	34 Å²	34	57.4 Å²	57.4	18%	0.182	30%	0.3	C	S	.	.			trans	-81.9	177.2	166.5	67.4	14.1	0	0	0	111.7	C533 G534 Q535 M537	D531-C533 PolarHBondContact O-N 3.34Å; D531-C533 VanDerWaalsContact O-N 3.17Å; D531-C533 WeakPolarHBondContact OD1-CA 3.22Å; D531-C533 WeakPolarHBondContact OD1-CB 3.42Å; D531-C533 PolarHBondContact OD1-N 3.47Å; D531-G534 PolarHBondContact O-N 2.96Å; D531-G534 PolarHBondContact OD1-N 2.99Å; D531-G534 VanDerWaalsContact OD1-N 3.12Å; D531-Q535 PolarHBondContact N-O 3.19Å; D531-Q535 WeakPolarHBondContact OD1-CA 3.25Å; D531-Q535 WeakPolarHBondContact OD1-CB 3.43Å; D531-Q535 PolarHBondContact OD1-N 3.15Å; D531-M537 HydrophobicContact CB-CG 3.83Å; D531-M537 HydrophobicContact CB-SD 3.86Å
532	H	71	Confident	83.1	Confident	133 Å²	133	57 Å²	57	62%	0.616	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-20.2	174.7	66.1	-62.4	0	0	0	115.1	G534	H532-G534 VanDerWaalsContact C-N 3.33Å
533	C	73.7	Confident	83.1	Confident	97 Å²	97	58.3 Å²	58.3	66%	0.655	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	0.5	176.4	-65.2	0	0	0	0	112.4	D531 Q535	D531-C533 PolarHBondContact O-N 3.34Å; D531-C533 VanDerWaalsContact O-N 3.17Å; D531-C533 WeakPolarHBondContact OD1-CA 3.22Å; D531-C533 WeakPolarHBondContact OD1-CB 3.42Å; D531-C533 PolarHBondContact OD1-N 3.47Å; C533-Q535 VanDerWaalsContact C-N 3.29Å
534	G	74.4	Confident	83.1	Confident	52 Å²	52	59.3 Å²	59.3	54%	0.536	31%	0.308	S	S	.	.	S	Bend	trans	76.4	14	-174.2	0	0	0	0	0	113.6	F530 D531 H532	F530-G534 VanDerWaalsContact CD1-O 3.32Å; F530-G534 WeakPolarHBondContact CD1-O 3.41Å; D531-G534 PolarHBondContact O-N 2.96Å; D531-G534 PolarHBondContact OD1-N 2.99Å; D531-G534 VanDerWaalsContact OD1-N 3.12Å; H532-G534 VanDerWaalsContact C-N 3.33Å
535	Q	77.7	Confident	83	Confident	139 Å²	139	60 Å²	60	65%	0.65	31%	0.308	S	S	*	.			trans	-87.9	130.5	176.8	-164.7	170.9	7.3	0	0	110.6	F530 D531 C533 M537	F530-Q535 CarbonylContact C-O 3.52Å; F530-Q535 VanDerWaalsContact CA-O 3.31Å; F530-Q535 WeakPolarHBondContact CA-O 3.31Å; D531-Q535 PolarHBondContact N-O 3.19Å; D531-Q535 WeakPolarHBondContact OD1-CA 3.25Å; D531-Q535 WeakPolarHBondContact OD1-CB 3.43Å; D531-Q535 PolarHBondContact OD1-N 3.15Å; C533-Q535 VanDerWaalsContact C-N 3.29Å; Q535-M537 PolarHBondContact O-N 3.45Å; Q535-M537 VanDerWaalsContact O-N 3.12Å
536	C	81.9	Confident	82.6	Confident	58 Å²	58	61.1 Å²	61.1	39%	0.392	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	109	179.5	-176.2	0	0	0	0	110.4	K529 F530	K529-C536 CarbonylContact O-C 3.54Å; K529-C536 WeakPolarHBondContact O-CA 3.43Å; F530-C536 HydrophobicContact CD1-CB 4.02Å; F530-C536 HydrophobicContact CE1-CB 3.81Å; F530-C536 HydrophobicContact CZ-CB 4.49Å
537	M	80.3	Confident	82	Confident	109 Å²	109	62.4 Å²	62.4	54%	0.537	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-42.1	177	-59.3	-175.5	76.4	0	0	112.2	K529 D531 Q535	K529-M537 HydrophobicContact CG-CB 4.47Å; K529-M537 PolarHBondContact O-N 3.32Å; D531-M537 HydrophobicContact CB-CG 3.83Å; D531-M537 HydrophobicContact CB-SD 3.86Å; Q535-M537 PolarHBondContact O-N 3.45Å; Q535-M537 VanDerWaalsContact O-N 3.12Å
538	K	81.5	Confident	81.7	Confident	141 Å²	141	63.9 Å²	63.9	61%	0.613	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.9	146.2	-175	-68.9	-170.1	178.2	-178.8	0	111	K528 K529 W540	K528-K538 CarbonylContact C-O 3.44Å; K528-K538 WeakPolarHBondContact CA-O 3.48Å; K529-K538 HydrophobicContact CB-CB 4.25Å; K529-K538 PolarHBondContact N-O 2.99Å; K529-K538 PolarHBondContact O-N 3.05Å; K538-W540 HydrophobicContact CB-CE3 4.26Å; K538-W540 HydrophobicContact CB-CZ3 4.04Å
539	H	83.5	Confident	81.7	Confident	89 Å²	89	60.9 Å²	60.9	41%	0.412	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	134.9	178.5	160.1	64.7	0	0	0	109.6	E526 V527 K528	E526-H539 IonicContact OE1-CE1 3.8Å; E526-H539 PolarHBondContact OE1-CE1 2.74Å; E526-H539 IonicContact OE1-ND1 2.72Å; E526-H539 IonicContact OE1-NE2 2.94Å; V527-H539 WeakPolarHBondContact O-CA 3.48Å; K528-H539 HydrophobicContact CG-CB 4.46Å
540	W	85.9	Confident	81.4	Confident	31 Å²	31	62.2 Å²	62.2	12%	0.117	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	172.2	173	67.3	99.4	0	0	0	111	Y503 V527 K529 K538 L616 R618	Y503-W540 HydrophobicContact CD1-CH2 4.34Å; Y503-W540 HydrophobicContact CE1-CH2 4.21Å; V527-W540 HydrophobicContact CB-CD2 3.99Å; V527-W540 HydrophobicContact CB-CE3 4.44Å; V527-W540 HydrophobicContact CB-CH2 4.16Å; V527-W540 HydrophobicContact CB-CZ2 3.7Å; V527-W540 HydrophobicContact CG1-CD2 4.47Å; V527-W540 HydrophobicContact CG1-CH2 3.56Å; V527-W540 HydrophobicContact CG1-CZ2 3.34Å; V527-W540 HydrophobicContact CG1-CZ3 4.22Å; V527-W540 HydrophobicContact CG2-CZ2 4.32Å; V527-W540 PolarHBondContact N-O 3.39Å; V527-W540 PolarHBondContact O-N 2.91Å; K529-W540 HydrophobicContact CB-CZ3 4.14Å; K538-W540 HydrophobicContact CB-CE3 4.26Å; K538-W540 HydrophobicContact CB-CZ3 4.04Å; W540-L616 PolarHBondContact NE1-O 3.17Å; W540-R618 HydrophobicContact CG-CG 4.25Å
541	I	83.4	Confident	81	Confident	92 Å²	92	62.5 Å²	62.5	47%	0.472	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.2	176.4	-60.5	174.4	0	0	0	107.8	N524 I525 E526	N524-I541 HydrophobicContact CB-CG2 4.04Å; I525-I541 CarbonylContact O-C 3.6Å; I525-I541 VanDerWaalsContact O-CA 3.3Å; I525-I541 WeakPolarHBondContact O-CA 3.31Å; E526-I541 HydrophobicContact CB-CG1 4.5Å
542	V	86.2	Confident	81.4	Confident	6 Å²	6	61.6 Å²	61.6	4%	0.036	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	145	171.1	-64	0	0	0	0	110.4	I525 V527 L616	I525-V542 HydrophobicContact CB-CG2 3.86Å; I525-V542 HydrophobicContact CD1-CG2 4.16Å; I525-V542 HydrophobicContact CG1-CG2 4.36Å; I525-V542 PolarHBondContact N-O 2.88Å; I525-V542 PolarHBondContact O-N 2.66Å; V527-V542 HydrophobicContact CG2-CG2 4.16Å; V542-L616 VanDerWaalsContact CG1-O 3.24Å; V542-L616 WeakPolarHBondContact CG1-O 3.45Å; V542-L616 HydrophobicContact CG2-CD2 4.43Å
543	T	83.2	Confident	82.1	Confident	41 Å²	41	55.6 Å²	55.6	25%	0.252	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.8	179.7	-54.5	0	0	0	0	109.6	V522 Y523 N524 Y621	V522-T543 HydrophobicContact CB-CG2 3.66Å; V522-T543 HydrophobicContact CG1-CG2 4.14Å; V522-T543 HydrophobicContact CG2-CG2 4.01Å; Y523-T543 WeakPolarHBondContact O-CA 3.5Å; N524-T543 WeakPolarHBondContact OD1-CG2 3.36Å; N524-T543 PolarHBondContact OD1-OG1 3.45Å; T543-Y621 WeakPolarHBondContact O-CD2 3.39Å
544	R	87.3	Confident	82.4	Confident	22 Å²	22	53.7 Å²	53.7	8%	0.083	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	145.5	-179.9	-63.2	-67.2	177.2	-103.4	5.2	111.7	Y523 I525 D548 F549 F615 C617	Y523-R544 PolarHBondContact N-O 2.91Å; Y523-R544 PolarHBondContact O-N 3.48Å; I525-R544 HydrophobicContact CD1-CB 4.02Å; I525-R544 HydrophobicContact CD1-CG 3.73Å; R544-D548 WeakPolarHBondContact CA-OD2 3.5Å; R544-D548 HydrophobicContact CB-CB 4.36Å; R544-F549 HydrophobicContact CB-CD2 4.36Å; R544-F549 HydrophobicContact CB-CE2 3.89Å; R544-F615 HydrophobicContact CB-CZ 4.01Å; R544-F615 HydrophobicContact CG-CE1 3.99Å; R544-F615 HydrophobicContact CG-CE2 4.16Å; R544-F615 HydrophobicContact CG-CZ 3.65Å; R544-F615 VanDerWaalsContact CZ-O 3.26Å; R544-F615 PolarHBondContact NE-O 2.78Å; R544-F615 PolarHBondContact NH2-O 3.13Å; R544-C617 PolarHBondContact NH2-O 3.25Å
545	R	83.9	Confident	82.5	Confident	51 Å²	51	54.2 Å²	54.2	19%	0.192	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	162.8	169	-69.8	-167.2	-63.6	-148.7	-14.9	111.2	E515 F520 V522 S547 D548 F549 Y621 G623	E515-R545 IonicContact OE2-CZ 2.65Å; E515-R545 IonicContact OE2-NH1 2.69Å; E515-R545 PolarHBondContact OE2-NH1 3.49Å; F520-R545 HydrophobicContact CD2-CG 3.79Å; F520-R545 VanDerWaalsContact CE2-CD 3.48Å; F520-R545 HydrophobicContact CE2-CG 3.9Å; V522-R545 HydrophobicContact CG1-CG 3.88Å; R545-S547 VanDerWaalsContact CB-OG 3.26Å; R545-S547 WeakPolarHBondContact CB-OG 3.46Å; R545-S547 PolarHBondContact NE-OG 3.41Å; R545-S547 PolarHBondContact O-N 3.29Å; R545-D548 PolarHBondContact N-OD2 3.33Å; R545-D548 WeakPolarHBondContact O-CB 3.11Å; R545-D548 PolarHBondContact O-N 2.88Å; R545-F549 VanDerWaalsContact O-CD2 3.29Å; R545-F549 WeakPolarHBondContact O-CD2 3.47Å; R545-F549 PolarHBondContact O-N 3.11Å; R545-Y621 WeakPolarHBondContact CD-OH 3.32Å; R545-Y621 HydrophobicContact CG-CE2 4.24Å; R545-Y621 VanDerWaalsContact CG-OH 3.23Å; R545-Y621 WeakPolarHBondContact CG-OH 3.42Å; R545-Y621 PolarHBondContact NE-OH 3.28Å; R545-Y621 PolarHBondContact NH2-OH 2.72Å; R545-G623 PolarHBondContact NH2-O 3.2Å
546	Y	84.7	Confident	82.8	Confident	23 Å²	23	47.7 Å²	47.7	9%	0.09	24%	0.242	C	C	.	.	H	α-helix	trans	-56.5	-34.4	169.5	173.3	-89.7	0	0	0	112.8	D548 F549 Y550 F568 P569 A570 K571 R585 L589	Y546-D548 VanDerWaalsContact C-N 3.26Å; Y546-D548 PolarHBondContact O-N 3.48Å; Y546-F549 PolarHBondContact O-N 3.12Å; Y546-Y550 HydrophobicContact CE1-CD2 4.29Å; Y546-Y550 HydrophobicContact CE1-CG 4.48Å; Y546-Y550 WeakPolarHBondContact O-CB 3.39Å; Y546-Y550 PolarHBondContact O-N 3.02Å; Y546-F568 HydrophobicContact CE2-CE1 4.05Å; Y546-F568 HydrophobicContact CE2-CZ 4.18Å; Y546-P569 HydrophobicContact CE2-CB 4.5Å; Y546-P569 HydrophobicContact CE2-CG 4.25Å; Y546-P569 VanDerWaalsContact CE2-O 3.29Å; Y546-P569 WeakPolarHBondContact CE2-O 3.38Å; Y546-P569 PolarHBondContact OH-O 2.83Å; Y546-A570 PolarHBondContact OH-O 3.32Å; Y546-K571 HydrophobicContact CE1-CB 4.45Å; Y546-K571 HydrophobicContact CE1-CD 4.47Å; Y546-K571 HydrophobicContact CE1-CG 3.45Å; Y546-K571 VanDerWaalsContact CE1-CG 3.45Å; Y546-K571 PolarHBondContact OH-N 3.17Å; Y546-R585 HydrophobicContact CD2-CG 4.25Å; Y546-L589 HydrophobicContact CD2-CD1 4.41Å; Y546-L589 HydrophobicContact CD2-CD2 4.42Å
547	S	77.8	Confident	82.6	Confident	41 Å²	41	48.6 Å²	48.6	29%	0.287	24%	0.24	S	C	.	.	H	α-helix	trans	-56.1	-42.5	174.3	47.6	0	0	0	0	111.8	R545 Y550 N551	R545-S547 VanDerWaalsContact CB-OG 3.26Å; R545-S547 WeakPolarHBondContact CB-OG 3.46Å; R545-S547 PolarHBondContact NE-OG 3.41Å; R545-S547 PolarHBondContact O-N 3.29Å; S547-Y550 WeakPolarHBondContact O-CB 3.33Å; S547-Y550 PolarHBondContact O-N 3.4Å; S547-Y550 VanDerWaalsContact O-N 3.16Å; S547-N551 VanDerWaalsContact O-CG 3.22Å; S547-N551 PolarHBondContact O-N 2.9Å; S547-N551 PolarHBondContact O-OD1 3.17Å
548	D	83.4	Confident	81.9	Confident	32 Å²	32	48.8 Å²	48.8	17%	0.171	23%	0.234	C	C	.	.	H	α-helix	trans	-68.6	-41.2	-176.3	-41.5	-17.5	0	0	0	109.8	R544 R545 Y546 Y550 N551 L552 F615	R544-D548 WeakPolarHBondContact CA-OD2 3.5Å; R544-D548 HydrophobicContact CB-CB 4.36Å; R545-D548 PolarHBondContact N-OD2 3.33Å; R545-D548 WeakPolarHBondContact O-CB 3.11Å; R545-D548 PolarHBondContact O-N 2.88Å; Y546-D548 VanDerWaalsContact C-N 3.26Å; Y546-D548 PolarHBondContact O-N 3.48Å; D548-Y550 VanDerWaalsContact C-N 3.34Å; D548-N551 PolarHBondContact O-N 3.11Å; D548-L552 WeakPolarHBondContact O-CB 3.34Å; D548-L552 PolarHBondContact O-N 3.06Å; D548-F615 HydrophobicContact CB-CE2 3.78Å; D548-F615 HydrophobicContact CB-CZ 4.36Å
549	F	88.5	Confident	81.6	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.6	-41.8	171.4	-78.6	-82.6	0	0	0	112.6	I507 Y523 I525 R544 R545 Y546 N551 L552 N553 F568 L589 L593 F615	I507-F549 HydrophobicContact CD1-CZ 3.93Å; Y523-F549 HydrophobicContact CD2-CE2 4.24Å; I525-F549 HydrophobicContact CD1-CE1 4.3Å; I525-F549 HydrophobicContact CD1-CE2 4.09Å; I525-F549 HydrophobicContact CD1-CZ 3.48Å; I525-F549 VanDerWaalsContact CD1-CZ 3.48Å; I525-F549 HydrophobicContact CG1-CZ 4.17Å; R544-F549 HydrophobicContact CB-CD2 4.36Å; R544-F549 HydrophobicContact CB-CE2 3.89Å; R545-F549 VanDerWaalsContact O-CD2 3.29Å; R545-F549 WeakPolarHBondContact O-CD2 3.47Å; R545-F549 PolarHBondContact O-N 3.11Å; Y546-F549 PolarHBondContact O-N 3.12Å; F549-N551 VanDerWaalsContact C-N 3.35Å; F549-L552 PolarHBondContact O-N 3.28Å; F549-N553 WeakPolarHBondContact O-CB 3.27Å; F549-N553 PolarHBondContact O-N 3.4Å; F549-F568 HydrophobicContact CB-CE2 4.06Å; F549-F568 HydrophobicContact CB-CZ 3.95Å; F549-F568 WeakPolarHBondContact O-CZ 3.22Å; F549-L589 HydrophobicContact CB-CD2 3.81Å; F549-L589 HydrophobicContact CD1-CD2 3.83Å; F549-L589 HydrophobicContact CD2-CD1 3.91Å; F549-L589 HydrophobicContact CD2-CD2 4.22Å; F549-L589 HydrophobicContact CE1-CB 4.28Å; F549-L589 HydrophobicContact CE1-CD2 4.4Å; F549-L589 HydrophobicContact CE2-CD1 4.05Å; F549-L589 HydrophobicContact CG-CD1 4.27Å; F549-L589 HydrophobicContact CG-CD2 3.71Å; F549-L589 HydrophobicContact CG-CG 4.49Å; F549-L589 HydrophobicContact CZ-CB 4.4Å; F549-L589 HydrophobicContact CZ-CD1 4.48Å; F549-L593 HydrophobicContact CE1-CD1 3.66Å; F549-L593 HydrophobicContact CE1-CD2 3.97Å; F549-L593 HydrophobicContact CE1-CG 3.74Å; F549-L593 HydrophobicContact CZ-CD1 4.04Å; F549-F615 HydrophobicContact CD1-CE1 4.21Å; F549-F615 AromaticContact CD1-CZ 3.95Å; F549-F615 HydrophobicContact CD1-CZ 3.95Å; F549-F615 HydrophobicContact CD2-CZ 4.21Å; F549-F615 AromaticContact CE1-CE1 3.97Å; F549-F615 HydrophobicContact CE1-CE1 3.97Å; F549-F615 HydrophobicContact CE1-CZ 4.07Å; F549-F615 HydrophobicContact CE2-CZ 4.3Å; F549-F615 HydrophobicContact CG-CZ 4.04Å; F549-F615 HydrophobicContact CZ-CE1 4.23Å; F549-F615 HydrophobicContact CZ-CZ 4.25Å
550	Y	80.9	Confident	81.6	Confident	76 Å²	76	44.3 Å²	44.3	30%	0.298	21%	0.214	S	C	.	.	H	α-helix	trans	-64.3	-43.1	179.3	-179.1	-88.6	0	0	0	110.7	Y546 S547 D548 N553 C554 F568 K571	Y546-Y550 HydrophobicContact CE1-CD2 4.29Å; Y546-Y550 HydrophobicContact CE1-CG 4.48Å; Y546-Y550 WeakPolarHBondContact O-CB 3.39Å; Y546-Y550 PolarHBondContact O-N 3.02Å; S547-Y550 WeakPolarHBondContact O-CB 3.33Å; S547-Y550 PolarHBondContact O-N 3.4Å; S547-Y550 VanDerWaalsContact O-N 3.16Å; D548-Y550 VanDerWaalsContact C-N 3.34Å; Y550-N553 WeakPolarHBondContact O-CB 3.46Å; Y550-N553 PolarHBondContact O-N 3.11Å; Y550-C554 WeakPolarHBondContact CE1-SG 3.4Å; Y550-C554 PolarHBondContact O-N 2.91Å; Y550-C554 PolarHBondContact O-SG 3.36Å; Y550-C554 VanDerWaalsContact O-SG 3.33Å; Y550-F568 AromaticContact CD2-CE1 3.93Å; Y550-F568 HydrophobicContact CD2-CE1 3.93Å; Y550-K571 VanDerWaalsContact CD1-NZ 3.34Å; Y550-K571 HydrophobicContact CD2-CD 4.1Å; Y550-K571 HydrophobicContact CD2-CG 4.09Å; Y550-K571 HydrophobicContact CE1-CD 4.45Å; Y550-K571 HydrophobicContact CE2-CD 3.91Å; Y550-K571 HydrophobicContact CE2-CG 4.16Å; Y550-K571 HydrophobicContact CG-CD 4.46Å
551	N	75.1	Confident	81.2	Confident	45 Å²	45	46.9 Å²	46.9	24%	0.241	23%	0.234	C	C	.	.	H	α-helix	trans	-64.6	-46.6	177.2	-68.3	-0.9	0	0	0	111.3	S547 D548 F549 N553 C554 V555 E630	S547-N551 VanDerWaalsContact O-CG 3.22Å; S547-N551 PolarHBondContact O-N 2.9Å; S547-N551 PolarHBondContact O-OD1 3.17Å; D548-N551 PolarHBondContact O-N 3.11Å; F549-N551 VanDerWaalsContact C-N 3.35Å; N551-N553 VanDerWaalsContact C-N 3.28Å; N551-N553 PolarHBondContact O-N 3.29Å; N551-C554 WeakPolarHBondContact O-CB 3.33Å; N551-C554 PolarHBondContact O-N 3.11Å; N551-C554 VanDerWaalsContact O-N 3.11Å; N551-V555 WeakPolarHBondContact O-CG2 3.18Å; N551-V555 PolarHBondContact O-N 2.78Å; N551-E630 VanDerWaalsContact CB-OE1 3.25Å; N551-E630 WeakPolarHBondContact CB-OE1 3.35Å; N551-E630 VanDerWaalsContact ND2-CD 3.27Å; N551-E630 PolarHBondContact ND2-OE1 3.3Å
552	L	85.7	Confident	80.9	Confident	15 Å²	15	47.6 Å²	47.6	8%	0.079	24%	0.236	C	C	.	.	H	α-helix	trans	-54.2	-46.2	172.5	176.5	66.6	0	0	0	111.2	D548 F549 C554 V555 I556 L612 F615	D548-L552 WeakPolarHBondContact O-CB 3.34Å; D548-L552 PolarHBondContact O-N 3.06Å; F549-L552 PolarHBondContact O-N 3.28Å; L552-C554 PolarHBondContact O-N 3.27Å; L552-V555 PolarHBondContact O-N 2.89Å; L552-I556 HydrophobicContact CD1-CD1 3.85Å; L552-I556 HydrophobicContact CD1-CG1 4.23Å; L552-I556 HydrophobicContact CD2-CD1 4.38Å; L552-I556 HydrophobicContact CG-CD1 3.77Å; L552-I556 HydrophobicContact CG-CG1 4.45Å; L552-I556 WeakPolarHBondContact O-CB 3.27Å; L552-I556 VanDerWaalsContact O-CG1 3.27Å; L552-I556 WeakPolarHBondContact O-CG1 3.48Å; L552-I556 PolarHBondContact O-N 3.47Å; L552-L612 HydrophobicContact CD1-CD2 4.49Å; L552-L612 HydrophobicContact CD2-CD2 4.11Å; L552-F615 HydrophobicContact CB-CD2 4.12Å; L552-F615 HydrophobicContact CB-CE2 4.21Å; L552-F615 HydrophobicContact CD1-CB 4.29Å; L552-F615 HydrophobicContact CD1-CG 4.49Å; L552-F615 HydrophobicContact CD2-CB 4.23Å; L552-F615 HydrophobicContact CD2-CD1 3.81Å; L552-F615 HydrophobicContact CD2-CD2 3.95Å; L552-F615 HydrophobicContact CD2-CE1 4.1Å; L552-F615 HydrophobicContact CD2-CE2 4.22Å; L552-F615 HydrophobicContact CD2-CG 3.73Å; L552-F615 HydrophobicContact CD2-CZ 4.29Å; L552-F615 HydrophobicContact CG-CD2 4.42Å
553	N	86.3	Confident	80.9	Confident	8 Å²	8	47.6 Å²	47.6	4%	0.043	24%	0.235	C	C	.	.	H	α-helix	trans	-63.4	-39.8	177.7	-179.8	64.3	0	0	0	112.4	F549 Y550 N551 I556 K557 F568 Y592	F549-N553 WeakPolarHBondContact O-CB 3.27Å; F549-N553 PolarHBondContact O-N 3.4Å; Y550-N553 WeakPolarHBondContact O-CB 3.46Å; Y550-N553 PolarHBondContact O-N 3.11Å; N551-N553 VanDerWaalsContact C-N 3.28Å; N551-N553 PolarHBondContact O-N 3.29Å; N553-I556 PolarHBondContact O-N 3.08Å; N553-K557 WeakPolarHBondContact ND2-CE 3.45Å; N553-K557 WeakPolarHBondContact O-CB 3.39Å; N553-K557 VanDerWaalsContact O-CG 3.24Å; N553-K557 WeakPolarHBondContact O-CG 2.82Å; N553-K557 PolarHBondContact O-N 2.96Å; N553-K557 WeakPolarHBondContact OD1-CE 3.3Å; N553-F568 HydrophobicContact CB-CD1 4.36Å; N553-F568 HydrophobicContact CB-CD2 3.79Å; N553-F568 HydrophobicContact CB-CE1 4.32Å; N553-F568 HydrophobicContact CB-CE2 3.74Å; N553-F568 HydrophobicContact CB-CG 4.12Å; N553-F568 HydrophobicContact CB-CZ 4.03Å; N553-F568 WeakPolarHBondContact ND2-CD1 3.3Å; N553-F568 WeakPolarHBondContact ND2-CG 3.25Å; N553-Y592 VanDerWaalsContact CA-OH 3.26Å; N553-Y592 WeakPolarHBondContact CA-OH 3.35Å; N553-Y592 VanDerWaalsContact CB-OH 3.29Å; N553-Y592 WeakPolarHBondContact CB-OH 3.39Å; N553-Y592 PolarHBondContact OD1-OH 3.33Å; N553-Y592 VanDerWaalsContact OD1-OH 3.13Å
554	C	78.8	Confident	80.7	Confident	56 Å²	56	47.7 Å²	47.7	38%	0.378	24%	0.241	S	C	.	.	H	α-helix	trans	-61.2	-46	173.5	-70.3	0	0	0	0	112	Y550 N551 L552 I556 K557 R558	Y550-C554 WeakPolarHBondContact CE1-SG 3.4Å; Y550-C554 PolarHBondContact O-N 2.91Å; Y550-C554 PolarHBondContact O-SG 3.36Å; Y550-C554 VanDerWaalsContact O-SG 3.33Å; N551-C554 WeakPolarHBondContact O-CB 3.33Å; N551-C554 PolarHBondContact O-N 3.11Å; N551-C554 VanDerWaalsContact O-N 3.11Å; L552-C554 PolarHBondContact O-N 3.27Å; C554-I556 PolarHBondContact O-N 3.33Å; C554-K557 PolarHBondContact O-N 2.93Å; C554-R558 WeakPolarHBondContact O-CB 3.4Å; C554-R558 PolarHBondContact O-N 3.05Å
555	V	76.7	Confident	80.5	Confident	64 Å²	64	56.4 Å²	56.4	39%	0.388	28%	0.279	S	S	.	.	H	α-helix	trans	-62.1	-43.7	177.6	175.3	0	0	0	0	110.9	N551 L552 R558 K559 L611	N551-V555 WeakPolarHBondContact O-CG2 3.18Å; N551-V555 PolarHBondContact O-N 2.78Å; L552-V555 PolarHBondContact O-N 2.89Å; V555-R558 PolarHBondContact O-N 3.06Å; V555-K559 WeakPolarHBondContact O-CB 3.33Å; V555-K559 PolarHBondContact O-N 3.16Å; V555-L611 HydrophobicContact CG1-CD1 4.02Å; V555-L611 HydrophobicContact CG1-CD2 4.13Å
556	I	83.5	Confident	80.5	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-64.7	-49	178.3	-71.2	172.7	0	0	0	111.2	L552 N553 C554 R558 K559 F560 L563 L596 L608 L612	L552-I556 HydrophobicContact CD1-CD1 3.85Å; L552-I556 HydrophobicContact CD1-CG1 4.23Å; L552-I556 HydrophobicContact CD2-CD1 4.38Å; L552-I556 HydrophobicContact CG-CD1 3.77Å; L552-I556 HydrophobicContact CG-CG1 4.45Å; L552-I556 WeakPolarHBondContact O-CB 3.27Å; L552-I556 VanDerWaalsContact O-CG1 3.27Å; L552-I556 WeakPolarHBondContact O-CG1 3.48Å; L552-I556 PolarHBondContact O-N 3.47Å; N553-I556 PolarHBondContact O-N 3.08Å; C554-I556 PolarHBondContact O-N 3.33Å; I556-R558 PolarHBondContact O-N 3.22Å; I556-K559 PolarHBondContact O-N 3.32Å; I556-F560 HydrophobicContact CG2-CD2 4.42Å; I556-F560 CarbonylContact O-C 3.33Å; I556-F560 WeakPolarHBondContact O-CA 3.39Å; I556-F560 WeakPolarHBondContact O-CB 3.26Å; I556-F560 PolarHBondContact O-N 2.81Å; I556-L563 HydrophobicContact CG2-CB 4.05Å; I556-L563 HydrophobicContact CG2-CD1 3.79Å; I556-L596 HydrophobicContact CD1-CD1 3.55Å; I556-L596 HydrophobicContact CD1-CD2 4.29Å; I556-L596 HydrophobicContact CG2-CD2 4.42Å; I556-L608 HydrophobicContact CD1-CD1 3.84Å; I556-L608 HydrophobicContact CG1-CD1 3.84Å; I556-L608 HydrophobicContact CG2-CD1 4.36Å; I556-L612 HydrophobicContact CD1-CD2 4.25Å
557	K	78.7	Confident	80.5	Confident	77 Å²	77	58.6 Å²	58.6	34%	0.335	30%	0.303	S	S	.	.	H	α-helix	trans	-60.2	-33.3	179	-72.1	-168.1	176.1	-166.7	0	112.5	N553 C554 P561 A564	N553-K557 WeakPolarHBondContact ND2-CE 3.45Å; N553-K557 WeakPolarHBondContact O-CB 3.39Å; N553-K557 VanDerWaalsContact O-CG 3.24Å; N553-K557 WeakPolarHBondContact O-CG 2.82Å; N553-K557 PolarHBondContact O-N 2.96Å; N553-K557 WeakPolarHBondContact OD1-CE 3.3Å; C554-K557 PolarHBondContact O-N 2.93Å; K557-P561 WeakPolarHBondContact O-CA 3.42Å; K557-A564 HydrophobicContact CD-CB 4.26Å; K557-A564 HydrophobicContact CG-CB 4.23Å; K557-A564 PolarHBondContact NZ-O 3Å
558	R	65.8	Low	80.9	Confident	112 Å²	112	58.3 Å²	58.3	42%	0.423	30%	0.297	S	S	.	.	H	α-helix	trans	-74.1	-47.9	177.3	-168.7	-165	-173.4	102	2.8	112	F220 A221 V222 C554 V555 I556	F220-R558 PolarHBondContact O-NH2 2.68Å; A221-R558 VanDerWaalsContact C-NH1 3.27Å; A221-R558 VanDerWaalsContact CA-CZ 3.48Å; A221-R558 PolarHBondContact O-NH1 3.05Å; A221-R558 PolarHBondContact O-NH2 3.42Å; V222-R558 PolarHBondContact O-NH2 3.22Å; C554-R558 WeakPolarHBondContact O-CB 3.4Å; C554-R558 PolarHBondContact O-N 3.05Å; V555-R558 PolarHBondContact O-N 3.06Å; I556-R558 PolarHBondContact O-N 3.22Å
559	K	74.4	Confident	81	Confident	120 Å²	120	57.9 Å²	57.9	52%	0.522	30%	0.295	S	S	.	.	H	α-helix	trans	-77.1	-27.3	-176.9	-165.3	173.9	-175.4	175.8	0	112.8	V555 I556 L611	V555-K559 WeakPolarHBondContact O-CB 3.33Å; V555-K559 PolarHBondContact O-N 3.16Å; I556-K559 PolarHBondContact O-N 3.32Å; K559-L611 HydrophobicContact CD-CD1 3.99Å
560	F	83.7	Confident	80.4	Confident	16 Å²	16	61.6 Å²	61.6	7%	0.07	33%	0.326	C	S	.	.			trans	-134.6	75.8	-178.8	-52.4	-73.4	0	0	0	109.9	I556 Q562 L563 C605 K606 L608 L611	I556-F560 HydrophobicContact CG2-CD2 4.42Å; I556-F560 CarbonylContact O-C 3.33Å; I556-F560 WeakPolarHBondContact O-CA 3.39Å; I556-F560 WeakPolarHBondContact O-CB 3.26Å; I556-F560 PolarHBondContact O-N 2.81Å; F560-Q562 VanDerWaalsContact CA-OE1 3.26Å; F560-Q562 PolarHBondContact O-N 3.23Å; F560-Q562 VanDerWaalsContact O-N 3.1Å; F560-L563 HydrophobicContact CB-CB 4.28Å; F560-L563 HydrophobicContact CB-CD1 3.68Å; F560-L563 HydrophobicContact CB-CG 3.8Å; F560-L563 HydrophobicContact CD2-CD1 4.35Å; F560-L563 HydrophobicContact CG-CD1 4.15Å; F560-L563 WeakPolarHBondContact O-CB 3.43Å; F560-L563 PolarHBondContact O-N 2.92Å; F560-C605 HydrophobicContact CD1-CB 3.97Å; F560-C605 HydrophobicContact CE1-CB 3.94Å; F560-C605 HydrophobicContact CG-CB 4.49Å; F560-C605 HydrophobicContact CZ-CB 4.45Å; F560-K606 WeakPolarHBondContact CZ-O 3.34Å; F560-L608 HydrophobicContact CD2-CD1 4.15Å; F560-L608 HydrophobicContact CE2-CB 3.82Å; F560-L608 HydrophobicContact CE2-CD1 3.97Å; F560-L608 HydrophobicContact CE2-CG 4.47Å; F560-L608 HydrophobicContact CZ-CB 3.95Å; F560-L611 HydrophobicContact CE2-CD1 4.12Å
561	P	76.5	Confident	79.8	Confident	85 Å²	85	64 Å²	64	55%	0.552	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-54.5	-30.2	-178.3	-26	35.1	0	0	0	114.1	K557 L563 A564	K557-P561 WeakPolarHBondContact O-CA 3.42Å; P561-L563 PolarHBondContact O-N 3.34Å; P561-A564 WeakPolarHBondContact O-CB 3.46Å; P561-A564 PolarHBondContact O-N 2.85Å
562	Q	78.6	Confident	79.3	Confident	107 Å²	107	66.6 Å²	66.6	50%	0.5	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-59.7	-25.6	174.3	71.2	-80.7	19.1	0	0	113.4	F560 A564	F560-Q562 VanDerWaalsContact CA-OE1 3.26Å; F560-Q562 PolarHBondContact O-N 3.23Å; F560-Q562 VanDerWaalsContact O-N 3.1Å; Q562-A564 VanDerWaalsContact C-N 3.31Å
563	L	85.7	Confident	77.7	Confident	6 Å²	6	71.6 Å²	71.6	3%	0.031	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-85.4	-2.8	177.2	-55.9	-175.6	0	0	0	112.5	I556 F560 P561 K565 I566 L596 L601 L608	I556-L563 HydrophobicContact CG2-CB 4.05Å; I556-L563 HydrophobicContact CG2-CD1 3.79Å; F560-L563 HydrophobicContact CB-CB 4.28Å; F560-L563 HydrophobicContact CB-CD1 3.68Å; F560-L563 HydrophobicContact CB-CG 3.8Å; F560-L563 HydrophobicContact CD2-CD1 4.35Å; F560-L563 HydrophobicContact CG-CD1 4.15Å; F560-L563 WeakPolarHBondContact O-CB 3.43Å; F560-L563 PolarHBondContact O-N 2.92Å; P561-L563 PolarHBondContact O-N 3.34Å; L563-K565 PolarHBondContact O-N 3.49Å; L563-K565 VanDerWaalsContact O-N 3.12Å; L563-I566 HydrophobicContact CB-CD1 4Å; L563-I566 HydrophobicContact CB-CG1 4.49Å; L563-I566 HydrophobicContact CD2-CD1 3.96Å; L563-I566 HydrophobicContact CG-CD1 4.43Å; L563-I566 WeakPolarHBondContact O-CB 3.41Å; L563-I566 WeakPolarHBondContact O-CG1 3.47Å; L563-I566 PolarHBondContact O-N 3.45Å; L563-L596 HydrophobicContact CD1-CD2 4.33Å; L563-L601 HydrophobicContact CD1-CD2 4.05Å; L563-L601 HydrophobicContact CD2-CD1 3.97Å; L563-L601 HydrophobicContact CD2-CD2 4.07Å; L563-L601 HydrophobicContact CD2-CG 4.2Å; L563-L608 HydrophobicContact CD1-CD2 3.92Å
564	A	79.4	Confident	76.1	Confident	44 Å²	44	79.1 Å²	79.1	36%	0.364	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-60.8	-23.2	178.9	0	0	0	0	0	114.1	K557 P561 Q562 I566	K557-A564 HydrophobicContact CD-CB 4.26Å; K557-A564 HydrophobicContact CG-CB 4.23Å; K557-A564 PolarHBondContact NZ-O 3Å; P561-A564 WeakPolarHBondContact O-CB 3.46Å; P561-A564 PolarHBondContact O-N 2.85Å; Q562-A564 VanDerWaalsContact C-N 3.31Å; A564-I566 VanDerWaalsContact C-N 3.32Å
565	K	82	Confident	75.2	Confident	204 Å²	204	82.3 Å²	82.3	89%	0.887	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-76.4	-11.4	176.3	-64.6	-176.6	-179.3	178.5	0	113.9	L563 S567	L563-K565 PolarHBondContact O-N 3.49Å; L563-K565 VanDerWaalsContact O-N 3.12Å; K565-S567 PolarHBondContact O-N 3.15Å
566	I	84.8	Confident	74.6	Confident	30 Å²	30	81.7 Å²	81.7	15%	0.154	42%	0.419	C	S	.	.	S	Bend	trans	-65.2	132.4	177.6	-64.3	-179.8	0	0	0	109.7	L563 A564 F568 Y592 T595 L596 L601	L563-I566 HydrophobicContact CB-CD1 4Å; L563-I566 HydrophobicContact CB-CG1 4.49Å; L563-I566 HydrophobicContact CD2-CD1 3.96Å; L563-I566 HydrophobicContact CG-CD1 4.43Å; L563-I566 WeakPolarHBondContact O-CB 3.41Å; L563-I566 WeakPolarHBondContact O-CG1 3.47Å; L563-I566 PolarHBondContact O-N 3.45Å; A564-I566 VanDerWaalsContact C-N 3.32Å; I566-F568 PolarHBondContact O-N 2.89Å; I566-Y592 HydrophobicContact CG2-CD2 3.72Å; I566-Y592 HydrophobicContact CG2-CE2 3.97Å; I566-T595 HydrophobicContact CD1-CG2 4.15Å; I566-T595 HydrophobicContact CG2-CG2 4.27Å; I566-L596 HydrophobicContact CD1-CD2 3.75Å; I566-L601 HydrophobicContact CD1-CD1 4.31Å
567	S	84	Confident	73.9	Confident	90 Å²	90	85.4 Å²	85.4	63%	0.629	44%	0.438	S	S	*	.			trans	-64	126.2	178.7	93.3	0	0	0	0	110.3	K565	K565-S567 PolarHBondContact O-N 3.15Å
568	F	87.4	Confident	73.6	Confident	36 Å²	36	87.1 Å²	87.1	16%	0.158	45%	0.446	C	S	.	.			trans	-132.8	131.3	177.1	-176.3	-94.1	0	0	0	109.6	Y546 F549 Y550 N553 I566 A570 L589 Y592	Y546-F568 HydrophobicContact CE2-CE1 4.05Å; Y546-F568 HydrophobicContact CE2-CZ 4.18Å; F549-F568 HydrophobicContact CB-CE2 4.06Å; F549-F568 HydrophobicContact CB-CZ 3.95Å; F549-F568 WeakPolarHBondContact O-CZ 3.22Å; Y550-F568 AromaticContact CD2-CE1 3.93Å; Y550-F568 HydrophobicContact CD2-CE1 3.93Å; N553-F568 HydrophobicContact CB-CD1 4.36Å; N553-F568 HydrophobicContact CB-CD2 3.79Å; N553-F568 HydrophobicContact CB-CE1 4.32Å; N553-F568 HydrophobicContact CB-CE2 3.74Å; N553-F568 HydrophobicContact CB-CG 4.12Å; N553-F568 HydrophobicContact CB-CZ 4.03Å; N553-F568 WeakPolarHBondContact ND2-CD1 3.3Å; N553-F568 WeakPolarHBondContact ND2-CG 3.25Å; I566-F568 PolarHBondContact O-N 2.89Å; F568-A570 PolarHBondContact O-N 3.49Å; F568-L589 HydrophobicContact CE2-CD2 3.98Å; F568-L589 HydrophobicContact CZ-CD2 4.22Å; F568-Y592 HydrophobicContact CB-CD2 4.38Å; F568-Y592 HydrophobicContact CB-CE2 4.37Å; F568-Y592 AromaticContact CD2-CD1 3.94Å; F568-Y592 HydrophobicContact CD2-CD1 3.94Å; F568-Y592 AromaticContact CD2-CD2 3.73Å; F568-Y592 HydrophobicContact CD2-CD2 3.73Å; F568-Y592 AromaticContact CD2-CE1 3.87Å; F568-Y592 HydrophobicContact CD2-CE1 3.87Å; F568-Y592 AromaticContact CD2-CE2 3.66Å; F568-Y592 HydrophobicContact CD2-CE2 3.66Å; F568-Y592 AromaticContact CD2-CG 3.86Å; F568-Y592 HydrophobicContact CD2-CG 3.86Å; F568-Y592 AromaticContact CD2-CZ 3.72Å; F568-Y592 HydrophobicContact CE2-CD1 4.06Å; F568-Y592 AromaticContact CE2-CE1 3.91Å; F568-Y592 HydrophobicContact CE2-CE1 3.91Å; F568-Y592 HydrophobicContact CE2-CE2 4.5Å; F568-Y592 HydrophobicContact CE2-CG 4.41Å; F568-Y592 HydrophobicContact CG-CE2 4.45Å
569	P	83.6	Confident	74	Confident	22 Å²	22	88.4 Å²	88.4	14%	0.143	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-63.2	127.6	-177.7	22.8	-30.9	0	0	0	111.3	Y546 R585 A588 L589	Y546-P569 HydrophobicContact CE2-CB 4.5Å; Y546-P569 HydrophobicContact CE2-CG 4.25Å; Y546-P569 VanDerWaalsContact CE2-O 3.29Å; Y546-P569 WeakPolarHBondContact CE2-O 3.38Å; Y546-P569 PolarHBondContact OH-O 2.83Å; P569-R585 HydrophobicContact CB-CG 4.4Å; P569-R585 HydrophobicContact CG-CG 4.45Å; P569-A588 HydrophobicContact CB-CB 4.01Å; P569-A588 HydrophobicContact CG-CB 3.96Å; P569-L589 HydrophobicContact CG-CD2 3.49Å; P569-L589 VanDerWaalsContact CG-CD2 3.49Å; P569-L589 HydrophobicContact CG-CG 3.88Å
570	A	76.1	Confident	74.1	Confident	78 Å²	78	84 Å²	84	65%	0.645	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-69.3	157.8	-177.3	0	0	0	0	0	113.9	Y546 F568 R585	Y546-A570 PolarHBondContact OH-O 3.32Å; F568-A570 PolarHBondContact O-N 3.49Å; A570-R585 PolarHBondContact O-NH2 2.82Å
571	K	69.4	Low	73.9	Confident	126 Å²	126	84.7 Å²	84.7	55%	0.548	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-64.5	138.9	168.2	-86.4	177.5	176.9	173.7	0	108.4	Y546 Y550	Y546-K571 HydrophobicContact CE1-CB 4.45Å; Y546-K571 HydrophobicContact CE1-CD 4.47Å; Y546-K571 HydrophobicContact CE1-CG 3.45Å; Y546-K571 VanDerWaalsContact CE1-CG 3.45Å; Y546-K571 PolarHBondContact OH-N 3.17Å; Y550-K571 VanDerWaalsContact CD1-NZ 3.34Å; Y550-K571 HydrophobicContact CD2-CD 4.1Å; Y550-K571 HydrophobicContact CD2-CG 4.09Å; Y550-K571 HydrophobicContact CE1-CD 4.45Å; Y550-K571 HydrophobicContact CE2-CD 3.91Å; Y550-K571 HydrophobicContact CE2-CG 4.16Å; Y550-K571 HydrophobicContact CG-CD 4.46Å
572	K	64.3	Low	74.1	Confident	100 Å²	100	81.2 Å²	81.2	44%	0.435	43%	0.426	S	S	.	.			trans	-127.1	142.1	174.4	-169.9	178.2	-174.6	-177.7	0	106.8	F574 N576 F581	K572-F574 VanDerWaalsContact CE-O 3.31Å; K572-F574 WeakPolarHBondContact CE-O 3.45Å; K572-N576 VanDerWaalsContact C-OD1 3.28Å; K572-N576 VanDerWaalsContact CB-OD1 3.26Å; K572-N576 WeakPolarHBondContact CB-OD1 3.28Å; K572-N576 VanDerWaalsContact O-CG 3.26Å; K572-N576 PolarHBondContact O-ND2 2.74Å; K572-N576 PolarHBondContact O-OD1 3.04Å; K572-N576 VanDerWaalsContact O-OD1 3.04Å; K572-F581 HydrophobicContact CB-CE2 4.32Å; K572-F581 HydrophobicContact CB-CZ 3.78Å; K572-F581 HydrophobicContact CD-CD2 4.15Å; K572-F581 HydrophobicContact CD-CE1 4.45Å; K572-F581 HydrophobicContact CD-CE2 3.55Å; K572-F581 HydrophobicContact CD-CZ 3.69Å; K572-F581 HydrophobicContact CG-CZ 4.34Å
573	T	52.7	Low	74.4	Confident	121 Å²	121	78.2 Å²	78.2	74%	0.742	41%	0.412	S	S	*	.			trans	-99.4	-27.9	-174.5	32.3	0	0	0	0	112.8
574	F	52.2	Low	74.3	Confident	165 Å²	165	85.7 Å²	85.7	72%	0.724	44%	0.44	S	S	*	.	S	Bend	trans	-120	144.3	-176	-60.7	-80.5	0	0	0	112.4	K572 N576	K572-F574 VanDerWaalsContact CE-O 3.31Å; K572-F574 WeakPolarHBondContact CE-O 3.45Å; F574-N576 VanDerWaalsContact C-N 3.28Å; F574-N576 PolarHBondContact O-N 3.28Å
575	N	60.3	Low	74.6	Confident	124 Å²	124	84.5 Å²	84.5	66%	0.663	43%	0.426	S	S	*	.	S	Bend	trans	60.9	31.1	174.3	-127.6	-4.8	0	0	0	114.6	M577 H578	N575-M577 PolarHBondContact O-N 3.33Å; N575-H578 PolarHBondContact O-N 3.04Å
576	N	63.4	Low	75	Confident	51 Å²	51	76.5 Å²	76.5	27%	0.273	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-15.8	-174.3	-71.7	-18.3	0	0	0	115	K572 F574 F581 L582	K572-N576 VanDerWaalsContact C-OD1 3.28Å; K572-N576 VanDerWaalsContact CB-OD1 3.26Å; K572-N576 WeakPolarHBondContact CB-OD1 3.28Å; K572-N576 VanDerWaalsContact O-CG 3.26Å; K572-N576 PolarHBondContact O-ND2 2.74Å; K572-N576 PolarHBondContact O-OD1 3.04Å; K572-N576 VanDerWaalsContact O-OD1 3.04Å; F574-N576 VanDerWaalsContact C-N 3.28Å; F574-N576 PolarHBondContact O-N 3.28Å; N576-F581 HydrophobicContact CB-CE1 4.4Å; N576-F581 WeakPolarHBondContact O-CD1 3.27Å; N576-L582 VanDerWaalsContact O-CD2 3.22Å; N576-L582 WeakPolarHBondContact O-CD2 3.25Å
577	M	67.8	Low	75.2	Confident	80 Å²	80	82.4 Å²	82.4	39%	0.394	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-2.2	-178.8	-66.1	-57	-63.5	0	0	113.3	M512 I519 A521 N575 H579	M512-M577 HydrophobicContact CG-CE 4.26Å; M512-M577 HydrophobicContact SD-CE 4.07Å; I519-M577 HydrophobicContact CG2-CE 3.78Å; A521-M577 HydrophobicContact CB-SD 4.49Å; N575-M577 PolarHBondContact O-N 3.33Å; M577-H579 PolarHBondContact O-N 2.83Å
578	H	72.9	Confident	75.6	Confident	112 Å²	112	79.5 Å²	79.5	52%	0.519	39%	0.393	S	S	.	.			trans	-64.4	124.9	179.4	-171.8	-79.3	0	0	0	111	N575 G580 F581 L582	N575-H578 PolarHBondContact O-N 3.04Å; H578-G580 PolarHBondContact ND1-N 3.09Å; H578-G580 PolarHBondContact O-N 3.41Å; H578-F581 HydrophobicContact CB-CB 4.34Å; H578-F581 WeakPolarHBondContact O-CA 3.44Å; H578-F581 WeakPolarHBondContact O-CB 3.29Å; H578-F581 PolarHBondContact O-N 3.42Å; H578-L582 PolarHBondContact O-N 3.11Å
579	H	74.5	Confident	75.8	Confident	139 Å²	139	77.8 Å²	77.8	64%	0.644	39%	0.386	S	S	*	.	H	α-helix	trans	-51.6	-49.6	-174.1	178.8	-94.6	0	0	0	113.4	M577 F581 L582 E583	M577-H579 PolarHBondContact O-N 2.83Å; H579-F581 PolarHBondContact O-N 2.95Å; H579-F581 VanDerWaalsContact O-N 3.15Å; H579-L582 PolarHBondContact O-N 2.98Å; H579-L582 VanDerWaalsContact O-N 3.15Å; H579-E583 PolarHBondContact O-N 3.29Å
580	G	77.4	Confident	76.3	Confident	29 Å²	29	77.9 Å²	77.9	30%	0.299	39%	0.385	S	S	.	.	H	α-helix	trans	-64	-20.2	179	0	0	0	0	0	114.8	H578 R584	H578-G580 PolarHBondContact ND1-N 3.09Å; H578-G580 PolarHBondContact O-N 3.41Å; G580-R584 PolarHBondContact O-NE 2.92Å
581	F	78.5	Confident	77.1	Confident	29 Å²	29	77.9 Å²	77.9	13%	0.127	38%	0.377	C	S	.	.	H	α-helix	trans	-82	-46.2	172	168.9	-103.1	0	0	0	111.1	K572 N576 H578 H579 E583 R584 R585	K572-F581 HydrophobicContact CB-CE2 4.32Å; K572-F581 HydrophobicContact CB-CZ 3.78Å; K572-F581 HydrophobicContact CD-CD2 4.15Å; K572-F581 HydrophobicContact CD-CE1 4.45Å; K572-F581 HydrophobicContact CD-CE2 3.55Å; K572-F581 HydrophobicContact CD-CZ 3.69Å; K572-F581 HydrophobicContact CG-CZ 4.34Å; N576-F581 HydrophobicContact CB-CE1 4.4Å; N576-F581 WeakPolarHBondContact O-CD1 3.27Å; H578-F581 HydrophobicContact CB-CB 4.34Å; H578-F581 WeakPolarHBondContact O-CA 3.44Å; H578-F581 WeakPolarHBondContact O-CB 3.29Å; H578-F581 PolarHBondContact O-N 3.42Å; H579-F581 PolarHBondContact O-N 2.95Å; H579-F581 VanDerWaalsContact O-N 3.15Å; F581-E583 VanDerWaalsContact C-N 3.26Å; F581-E583 PolarHBondContact O-N 3.41Å; F581-R584 PolarHBondContact O-N 2.89Å; F581-R585 VanDerWaalsContact CZ-NH2 3.28Å; F581-R585 WeakPolarHBondContact O-CB 3.39Å; F581-R585 PolarHBondContact O-N 3.48Å
582	L	81	Confident	78.3	Confident	13 Å²	13	72 Å²	72	7%	0.068	35%	0.351	C	S	.	.	H	α-helix	trans	-57.4	-40.2	177.1	-69.7	177.9	0	0	0	111.7	I510 A521 N576 H578 H579 R585 K586	I510-L582 HydrophobicContact CD1-CB 3.76Å; I510-L582 WeakPolarHBondContact CD1-O 3.33Å; I510-L582 HydrophobicContact CG2-CB 4.49Å; I510-L582 HydrophobicContact CG2-CD1 4.34Å; A521-L582 HydrophobicContact CB-CD1 4.11Å; A521-L582 HydrophobicContact CB-CD2 3.53Å; A521-L582 HydrophobicContact CB-CG 4.47Å; N576-L582 VanDerWaalsContact O-CD2 3.22Å; N576-L582 WeakPolarHBondContact O-CD2 3.25Å; H578-L582 PolarHBondContact O-N 3.11Å; H579-L582 PolarHBondContact O-N 2.98Å; H579-L582 VanDerWaalsContact O-N 3.15Å; L582-R585 PolarHBondContact O-N 3.35Å; L582-K586 WeakPolarHBondContact O-CB 3.42Å; L582-K586 PolarHBondContact O-N 3.11Å
583	E	83.8	Confident	79.6	Confident	44 Å²	44	67.2 Å²	67.2	21%	0.206	33%	0.331	C	S	.	.	H	α-helix	trans	-68.1	-39.3	176.2	-84.5	-63.1	135.9	0	0	113.7	I510 H579 F581 K586 R587	I510-E583 HydrophobicContact CD1-CG 4.28Å; I510-E583 WeakPolarHBondContact CD1-OE1 3.44Å; H579-E583 PolarHBondContact O-N 3.29Å; F581-E583 VanDerWaalsContact C-N 3.26Å; F581-E583 PolarHBondContact O-N 3.41Å; E583-K586 PolarHBondContact O-N 3.13Å; E583-K586 WeakPolarHBondContact OE1-CD 3.23Å; E583-K586 IonicContact OE1-NZ 2.64Å; E583-K586 PolarHBondContact OE1-NZ 3.46Å; E583-K586 IonicContact OE2-NZ 2.77Å; E583-R587 PolarHBondContact O-N 2.88Å; E583-R587 VanDerWaalsContact O-N 3.12Å
584	R	85.3	Confident	81.4	Confident	163 Å²	163	66.3 Å²	66.3	62%	0.615	32%	0.316	S	S	*	.	H	α-helix	trans	-64.1	-42.8	172.6	-78.6	-174.5	-73.4	-164.4	0	111.4	G580 F581 R587 A588	G580-R584 PolarHBondContact O-NE 2.92Å; F581-R584 PolarHBondContact O-N 2.89Å; R584-R587 PolarHBondContact O-N 3.25Å; R584-A588 PolarHBondContact O-N 3.09Å
585	R	85.9	Confident	83.3	Confident	19 Å²	19	61.1 Å²	61.1	7%	0.072	30%	0.298	C	S	.	.	H	α-helix	trans	-64.5	-43.6	176.8	179.5	175.1	-84.7	174.4	-8.3	111.6	Y523 Y546 P569 A570 F581 L582 R587 A588 L589	Y523-R585 WeakPolarHBondContact OH-CD 3.26Å; Y523-R585 WeakPolarHBondContact OH-CG 3.25Å; Y546-R585 HydrophobicContact CD2-CG 4.25Å; P569-R585 HydrophobicContact CB-CG 4.4Å; P569-R585 HydrophobicContact CG-CG 4.45Å; A570-R585 PolarHBondContact O-NH2 2.82Å; F581-R585 VanDerWaalsContact CZ-NH2 3.28Å; F581-R585 WeakPolarHBondContact O-CB 3.39Å; F581-R585 PolarHBondContact O-N 3.48Å; L582-R585 PolarHBondContact O-N 3.35Å; R585-R587 VanDerWaalsContact C-N 3.33Å; R585-R587 PolarHBondContact O-N 3.12Å; R585-A588 PolarHBondContact O-N 2.8Å; R585-L589 HydrophobicContact CG-CD1 3.91Å; R585-L589 HydrophobicContact CG-CG 4.14Å; R585-L589 WeakPolarHBondContact O-CB 3.45Å; R585-L589 VanDerWaalsContact O-CG 3.31Å; R585-L589 WeakPolarHBondContact O-CG 3.5Å; R585-L589 PolarHBondContact O-N 3.07Å
586	K	89.7	Confident	84.8	Confident	35 Å²	35	55.2 Å²	55.2	15%	0.152	27%	0.266	C	S	.	.	H	α-helix	trans	-52.3	-49.8	173.2	177.1	-164.5	-178.9	-179.5	0	111.2	I507 K508 I510 Y523 L582 E583 A588 L589 N590	I507-K586 HydrophobicContact CB-CG 4.12Å; I507-K586 HydrophobicContact CG2-CG 3.76Å; I507-K586 WeakPolarHBondContact O-CE 3.34Å; K508-K586 VanDerWaalsContact O-CE 3.29Å; K508-K586 WeakPolarHBondContact O-CE 2.94Å; K508-K586 PolarHBondContact O-NZ 3.1Å; I510-K586 HydrophobicContact CD1-CB 3.95Å; I510-K586 HydrophobicContact CD1-CD 3.96Å; I510-K586 HydrophobicContact CD1-CG 4.42Å; I510-K586 HydrophobicContact CG1-CB 4.36Å; I510-K586 HydrophobicContact CG1-CD 3.89Å; I510-K586 HydrophobicContact CG1-CG 4.37Å; Y523-K586 HydrophobicContact CD1-CB 4.31Å; Y523-K586 HydrophobicContact CE1-CB 4.03Å; L582-K586 WeakPolarHBondContact O-CB 3.42Å; L582-K586 PolarHBondContact O-N 3.11Å; E583-K586 PolarHBondContact O-N 3.13Å; E583-K586 WeakPolarHBondContact OE1-CD 3.23Å; E583-K586 IonicContact OE1-NZ 2.64Å; E583-K586 PolarHBondContact OE1-NZ 3.46Å; E583-K586 IonicContact OE2-NZ 2.77Å; K586-A588 PolarHBondContact O-N 2.83Å; K586-L589 PolarHBondContact O-N 3.33Å; K586-N590 VanDerWaalsContact O-CB 3.31Å; K586-N590 WeakPolarHBondContact O-CB 3.47Å; K586-N590 PolarHBondContact O-N 2.74Å
587	R	89.7	Confident	86	Confident	154 Å²	154	53.5 Å²	53.5	58%	0.581	26%	0.257	S	S	*	.	H	α-helix	trans	-62.1	-43.2	177.8	-72.2	-179.4	-123.6	149.8	-3.6	112.8	E583 R584 R585 N590 T591	E583-R587 PolarHBondContact O-N 2.88Å; E583-R587 VanDerWaalsContact O-N 3.12Å; R584-R587 PolarHBondContact O-N 3.25Å; R585-R587 VanDerWaalsContact C-N 3.33Å; R585-R587 PolarHBondContact O-N 3.12Å; R587-N590 PolarHBondContact O-N 3.27Å; R587-T591 WeakPolarHBondContact O-CB 3.45Å; R587-T591 PolarHBondContact O-N 3Å; R587-T591 PolarHBondContact O-OG1 2.85Å
588	A	90.6	Very high	86.9	Confident	30 Å²	30	53.1 Å²	53.1	25%	0.248	26%	0.257	C	S	.	.	H	α-helix	trans	-64.4	-44.9	177.6	0	0	0	0	0	112.1	P569 R584 R585 K586 N590 T591 Y592	P569-A588 HydrophobicContact CB-CB 4.01Å; P569-A588 HydrophobicContact CG-CB 3.96Å; R584-A588 PolarHBondContact O-N 3.09Å; R585-A588 PolarHBondContact O-N 2.8Å; K586-A588 PolarHBondContact O-N 2.83Å; A588-N590 VanDerWaalsContact C-N 3.33Å; A588-N590 PolarHBondContact O-N 2.78Å; A588-T591 PolarHBondContact O-N 3.47Å; A588-Y592 WeakPolarHBondContact O-CB 3.37Å; A588-Y592 PolarHBondContact O-N 3.04Å
589	L	93.5	Very high	87.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-63.5	-38.9	175.5	-69.3	176.3	0	0	0	112	I507 Y523 Y546 F549 F568 P569 R585 K586 Y592 L593	I507-L589 HydrophobicContact CD1-CB 3.62Å; Y523-L589 HydrophobicContact CD1-CD1 4.45Å; Y523-L589 HydrophobicContact CD2-CD1 3.89Å; Y523-L589 HydrophobicContact CE1-CD1 4.26Å; Y523-L589 HydrophobicContact CE2-CD1 3.68Å; Y523-L589 HydrophobicContact CG-CD1 4.28Å; Y546-L589 HydrophobicContact CD2-CD1 4.41Å; Y546-L589 HydrophobicContact CD2-CD2 4.42Å; F549-L589 HydrophobicContact CB-CD2 3.81Å; F549-L589 HydrophobicContact CD1-CD2 3.83Å; F549-L589 HydrophobicContact CD2-CD1 3.91Å; F549-L589 HydrophobicContact CD2-CD2 4.22Å; F549-L589 HydrophobicContact CE1-CB 4.28Å; F549-L589 HydrophobicContact CE1-CD2 4.4Å; F549-L589 HydrophobicContact CE2-CD1 4.05Å; F549-L589 HydrophobicContact CG-CD1 4.27Å; F549-L589 HydrophobicContact CG-CD2 3.71Å; F549-L589 HydrophobicContact CG-CG 4.49Å; F549-L589 HydrophobicContact CZ-CB 4.4Å; F549-L589 HydrophobicContact CZ-CD1 4.48Å; F568-L589 HydrophobicContact CE2-CD2 3.98Å; F568-L589 HydrophobicContact CZ-CD2 4.22Å; P569-L589 HydrophobicContact CG-CD2 3.49Å; P569-L589 VanDerWaalsContact CG-CD2 3.49Å; P569-L589 HydrophobicContact CG-CG 3.88Å; R585-L589 HydrophobicContact CG-CD1 3.91Å; R585-L589 HydrophobicContact CG-CG 4.14Å; R585-L589 WeakPolarHBondContact O-CB 3.45Å; R585-L589 VanDerWaalsContact O-CG 3.31Å; R585-L589 WeakPolarHBondContact O-CG 3.5Å; R585-L589 PolarHBondContact O-N 3.07Å; K586-L589 PolarHBondContact O-N 3.33Å; L589-Y592 WeakPolarHBondContact O-CB 3.29Å; L589-Y592 PolarHBondContact O-N 2.76Å; L589-L593 PolarHBondContact O-N 3.01Å
590	N	92.5	Very high	87.7	Confident	24 Å²	24	47 Å²	47	13%	0.128	24%	0.244	C	C	.	.	H	α-helix	trans	-64.2	-43.2	176.3	-158.4	45.3	0	0	0	111.3	N506 I507 K586 R587 A588 Y592 L593 K594	N506-N590 WeakPolarHBondContact CA-OD1 3.25Å; N506-N590 PolarHBondContact OD1-ND2 2.87Å; N506-N590 VanDerWaalsContact OD1-ND2 3.11Å; I507-N590 HydrophobicContact CB-CB 4.45Å; I507-N590 HydrophobicContact CD1-CB 4.16Å; I507-N590 HydrophobicContact CG1-CB 4.16Å; I507-N590 PolarHBondContact N-OD1 3.29Å; K586-N590 VanDerWaalsContact O-CB 3.31Å; K586-N590 WeakPolarHBondContact O-CB 3.47Å; K586-N590 PolarHBondContact O-N 2.74Å; R587-N590 PolarHBondContact O-N 3.27Å; A588-N590 VanDerWaalsContact C-N 3.33Å; A588-N590 PolarHBondContact O-N 2.78Å; N590-Y592 VanDerWaalsContact C-N 3.34Å; N590-L593 PolarHBondContact O-N 3.31Å; N590-K594 WeakPolarHBondContact O-CG 3.38Å; N590-K594 PolarHBondContact O-N 2.8Å; N590-K594 VanDerWaalsContact O-N 3.08Å
591	T	93	Very high	88	Confident	78 Å²	78	46.2 Å²	46.2	48%	0.479	23%	0.234	S	C	.	.	H	α-helix	trans	-64.7	-41	176.8	-52.9	0	0	0	0	111.1	R587 A588 K594 T595	R587-T591 WeakPolarHBondContact O-CB 3.45Å; R587-T591 PolarHBondContact O-N 3Å; R587-T591 PolarHBondContact O-OG1 2.85Å; A588-T591 PolarHBondContact O-N 3.47Å; T591-K594 PolarHBondContact O-N 2.92Å; T591-T595 WeakPolarHBondContact O-CB 3.4Å; T591-T595 PolarHBondContact O-N 3.39Å; T591-T595 PolarHBondContact O-OG1 2.9Å
592	Y	94.7	Very high	88.3	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-58.5	-50.2	175.8	174.7	-103	0	0	0	112.1	N553 I566 F568 A588 L589 N590 K594 T595 L596	N553-Y592 VanDerWaalsContact CA-OH 3.26Å; N553-Y592 WeakPolarHBondContact CA-OH 3.35Å; N553-Y592 VanDerWaalsContact CB-OH 3.29Å; N553-Y592 WeakPolarHBondContact CB-OH 3.39Å; N553-Y592 PolarHBondContact OD1-OH 3.33Å; N553-Y592 VanDerWaalsContact OD1-OH 3.13Å; I566-Y592 HydrophobicContact CG2-CD2 3.72Å; I566-Y592 HydrophobicContact CG2-CE2 3.97Å; F568-Y592 HydrophobicContact CB-CD2 4.38Å; F568-Y592 HydrophobicContact CB-CE2 4.37Å; F568-Y592 AromaticContact CD2-CD1 3.94Å; F568-Y592 HydrophobicContact CD2-CD1 3.94Å; F568-Y592 AromaticContact CD2-CD2 3.73Å; F568-Y592 HydrophobicContact CD2-CD2 3.73Å; F568-Y592 AromaticContact CD2-CE1 3.87Å; F568-Y592 HydrophobicContact CD2-CE1 3.87Å; F568-Y592 AromaticContact CD2-CE2 3.66Å; F568-Y592 HydrophobicContact CD2-CE2 3.66Å; F568-Y592 AromaticContact CD2-CG 3.86Å; F568-Y592 HydrophobicContact CD2-CG 3.86Å; F568-Y592 AromaticContact CD2-CZ 3.72Å; F568-Y592 HydrophobicContact CE2-CD1 4.06Å; F568-Y592 AromaticContact CE2-CE1 3.91Å; F568-Y592 HydrophobicContact CE2-CE1 3.91Å; F568-Y592 HydrophobicContact CE2-CE2 4.5Å; F568-Y592 HydrophobicContact CE2-CG 4.41Å; F568-Y592 HydrophobicContact CG-CE2 4.45Å; A588-Y592 WeakPolarHBondContact O-CB 3.37Å; A588-Y592 PolarHBondContact O-N 3.04Å; L589-Y592 WeakPolarHBondContact O-CB 3.29Å; L589-Y592 PolarHBondContact O-N 2.76Å; N590-Y592 VanDerWaalsContact C-N 3.34Å; Y592-K594 PolarHBondContact O-N 3.41Å; Y592-T595 PolarHBondContact O-N 3.1Å; Y592-L596 HydrophobicContact CD1-CD1 3.99Å; Y592-L596 HydrophobicContact CD2-CD1 4.39Å; Y592-L596 HydrophobicContact CE1-CD1 3.39Å; Y592-L596 HydrophobicContact CE2-CD1 3.84Å; Y592-L596 HydrophobicContact CE2-CG 4.36Å; Y592-L596 HydrophobicContact CG-CD1 4.45Å; Y592-L596 WeakPolarHBondContact O-CG 3.33Å; Y592-L596 PolarHBondContact O-N 2.72Å; Y592-L596 VanDerWaalsContact O-N 3.09Å; Y592-L596 WeakPolarHBondContact OH-CD1 3.29Å
593	L	92.8	Very high	88.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.8	-44.5	176.5	-74.1	178.1	0	0	0	112.4	I525 F549 L589 N590 T595 L596 L597 F615	I525-L593 HydrophobicContact CD1-CD1 4.15Å; I525-L593 HydrophobicContact CG2-CD1 3.95Å; F549-L593 HydrophobicContact CE1-CD1 3.66Å; F549-L593 HydrophobicContact CE1-CD2 3.97Å; F549-L593 HydrophobicContact CE1-CG 3.74Å; F549-L593 HydrophobicContact CZ-CD1 4.04Å; L589-L593 PolarHBondContact O-N 3.01Å; N590-L593 PolarHBondContact O-N 3.31Å; L593-T595 VanDerWaalsContact C-N 3.28Å; L593-T595 PolarHBondContact O-N 2.88Å; L593-L596 PolarHBondContact O-N 2.95Å; L593-L596 VanDerWaalsContact O-N 3.15Å; L593-L597 WeakPolarHBondContact O-CB 3.37Å; L593-L597 WeakPolarHBondContact O-CG 3.26Å; L593-L597 PolarHBondContact O-N 3.46Å; L593-F615 HydrophobicContact CD2-CE1 4.38Å
594	K	90.4	Very high	88.2	Confident	101 Å²	101	57.1 Å²	57.1	44%	0.439	28%	0.277	S	S	.	.	H	α-helix	trans	-61.3	-37.8	178	-73.4	-174.4	176.4	-158.7	0	112.5	T505 N590 T591 Y592 L596 D598	T505-K594 VanDerWaalsContact O-CE 3.29Å; T505-K594 WeakPolarHBondContact O-CE 3.29Å; N590-K594 WeakPolarHBondContact O-CG 3.38Å; N590-K594 PolarHBondContact O-N 2.8Å; N590-K594 VanDerWaalsContact O-N 3.08Å; T591-K594 PolarHBondContact O-N 2.92Å; Y592-K594 PolarHBondContact O-N 3.41Å; K594-L596 VanDerWaalsContact C-N 3.33Å; K594-D598 PolarHBondContact O-N 2.97Å
595	T	90.8	Very high	88.2	Confident	56 Å²	56	49.4 Å²	49.4	34%	0.344	25%	0.248	S	C	.	.	H	α-helix	trans	-65.5	-38.8	176.2	-52.6	0	0	0	0	111.2	I566 T591 Y592 L593 D598	I566-T595 HydrophobicContact CD1-CG2 4.15Å; I566-T595 HydrophobicContact CG2-CG2 4.27Å; T591-T595 WeakPolarHBondContact O-CB 3.4Å; T591-T595 PolarHBondContact O-N 3.39Å; T591-T595 PolarHBondContact O-OG1 2.9Å; Y592-T595 PolarHBondContact O-N 3.1Å; L593-T595 VanDerWaalsContact C-N 3.28Å; L593-T595 PolarHBondContact O-N 2.88Å; T595-D598 WeakPolarHBondContact O-CB 3.06Å
596	L	91.4	Very high	87.9	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-76.5	-29.4	-179.8	-70.2	176.7	0	0	0	113.9	I556 L563 I566 Y592 L593 K594 L601 L602 L608 L612	I556-L596 HydrophobicContact CD1-CD1 3.55Å; I556-L596 HydrophobicContact CD1-CD2 4.29Å; I556-L596 HydrophobicContact CG2-CD2 4.42Å; L563-L596 HydrophobicContact CD1-CD2 4.33Å; I566-L596 HydrophobicContact CD1-CD2 3.75Å; Y592-L596 HydrophobicContact CD1-CD1 3.99Å; Y592-L596 HydrophobicContact CD2-CD1 4.39Å; Y592-L596 HydrophobicContact CE1-CD1 3.39Å; Y592-L596 HydrophobicContact CE2-CD1 3.84Å; Y592-L596 HydrophobicContact CE2-CG 4.36Å; Y592-L596 HydrophobicContact CG-CD1 4.45Å; Y592-L596 WeakPolarHBondContact O-CG 3.33Å; Y592-L596 PolarHBondContact O-N 2.72Å; Y592-L596 VanDerWaalsContact O-N 3.09Å; Y592-L596 WeakPolarHBondContact OH-CD1 3.29Å; L593-L596 PolarHBondContact O-N 2.95Å; L593-L596 VanDerWaalsContact O-N 3.15Å; K594-L596 VanDerWaalsContact C-N 3.33Å; L596-L601 HydrophobicContact CD2-CD2 4.5Å; L596-L602 WeakPolarHBondContact O-CD2 3.45Å; L596-L608 HydrophobicContact CD2-CD2 4.44Å; L596-L612 HydrophobicContact CB-CD1 3.95Å; L596-L612 HydrophobicContact CB-CD2 4.23Å; L596-L612 HydrophobicContact CD1-CD2 4.08Å; L596-L612 WeakPolarHBondContact O-CD1 3.47Å
597	L	89.4	Confident	87.4	Confident	15 Å²	15	57.2 Å²	57.2	8%	0.079	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	4.9	176.6	-69.9	170.8	0	0	0	113.2	T505 L593 P599 L612 L616	T505-L597 HydrophobicContact CG2-CD1 3.37Å; L593-L597 WeakPolarHBondContact O-CB 3.37Å; L593-L597 WeakPolarHBondContact O-CG 3.26Å; L593-L597 PolarHBondContact O-N 3.46Å; L597-P599 WeakPolarHBondContact O-CD 3.23Å; L597-L612 HydrophobicContact CD2-CB 4.3Å; L597-L612 HydrophobicContact CD2-CD1 3.75Å; L597-L612 HydrophobicContact CG-CD1 4.27Å; L597-L616 HydrophobicContact CD1-CD1 4.14Å; L597-L616 HydrophobicContact CD2-CD1 4.29Å
598	D	86.3	Confident	87.2	Confident	72 Å²	72	49.9 Å²	49.9	39%	0.385	26%	0.262	S	S	.	.			trans	-58.9	123.6	174	177	71.5	0	0	0	110.3	K594 T595 A600 L601 L602	K594-D598 PolarHBondContact O-N 2.97Å; T595-D598 WeakPolarHBondContact O-CB 3.06Å; D598-A600 VanDerWaalsContact C-N 3.25Å; D598-A600 PolarHBondContact O-N 3.37Å; D598-A600 WeakPolarHBondContact OD2-CB 3.49Å; D598-A600 PolarHBondContact OD2-N 3.42Å; D598-A600 VanDerWaalsContact OD2-N 3.14Å; D598-L601 HydrophobicContact CB-CB 3.98Å; D598-L601 WeakPolarHBondContact O-CB 3.35Å; D598-L601 PolarHBondContact O-N 2.9Å; D598-L601 PolarHBondContact OD2-N 3.19Å; D598-L602 PolarHBondContact O-N 3.25Å
599	P	81.9	Confident	86.8	Confident	59 Å²	59	52.2 Å²	52.2	38%	0.383	27%	0.268	S	S	.	.	H	α-helix	trans	-58	-34.5	-175.9	-27.4	35.1	0	0	0	113.9	L597 K603	L597-P599 WeakPolarHBondContact O-CD 3.23Å; P599-K603 WeakPolarHBondContact O-CB 3.49Å; P599-K603 WeakPolarHBondContact O-CG 3.46Å; P599-K603 PolarHBondContact O-N 2.87Å
600	A	82.9	Confident	86.1	Confident	63 Å²	63	57.6 Å²	57.6	52%	0.521	30%	0.297	S	S	.	.	H	α-helix	trans	-70.4	-36.3	177.7	0	0	0	0	0	111.3	D598 R604	D598-A600 VanDerWaalsContact C-N 3.25Å; D598-A600 PolarHBondContact O-N 3.37Å; D598-A600 WeakPolarHBondContact OD2-CB 3.49Å; D598-A600 PolarHBondContact OD2-N 3.42Å; D598-A600 VanDerWaalsContact OD2-N 3.14Å; A600-R604 WeakPolarHBondContact O-CB 3.26Å; A600-R604 PolarHBondContact O-N 2.94Å; A600-R604 VanDerWaalsContact O-N 3.16Å
601	L	84.7	Confident	85.5	Confident	14 Å²	14	57.9 Å²	57.9	7%	0.073	30%	0.298	C	S	.	.	H	α-helix	trans	-68.5	-40.7	174.8	-161.4	143.5	0	0	0	112.4	L563 I566 L596 D598 R604 C605 L608	L563-L601 HydrophobicContact CD1-CD2 4.05Å; L563-L601 HydrophobicContact CD2-CD1 3.97Å; L563-L601 HydrophobicContact CD2-CD2 4.07Å; L563-L601 HydrophobicContact CD2-CG 4.2Å; I566-L601 HydrophobicContact CD1-CD1 4.31Å; L596-L601 HydrophobicContact CD2-CD2 4.5Å; D598-L601 HydrophobicContact CB-CB 3.98Å; D598-L601 WeakPolarHBondContact O-CB 3.35Å; D598-L601 PolarHBondContact O-N 2.9Å; D598-L601 PolarHBondContact OD2-N 3.19Å; L601-R604 PolarHBondContact O-N 2.75Å; L601-C605 WeakPolarHBondContact O-CB 3.48Å; L601-C605 PolarHBondContact O-N 2.84Å; L601-L608 HydrophobicContact CD2-CD2 3.27Å
602	L	83.6	Confident	85.3	Confident	30 Å²	30	54.2 Å²	54.2	16%	0.157	28%	0.276	C	S	.	.	H	α-helix	trans	-64.3	-42.3	175.7	-68.2	177.1	0	0	0	112.3	L596 D598 R604 C605 L608 E609 L612	L596-L602 WeakPolarHBondContact O-CD2 3.45Å; D598-L602 PolarHBondContact O-N 3.25Å; L602-R604 VanDerWaalsContact C-N 3.3Å; L602-R604 PolarHBondContact O-N 2.64Å; L602-C605 CarbonylContact O-C 3.57Å; L602-C605 PolarHBondContact O-N 3.45Å; L602-L608 HydrophobicContact CD2-CB 4.39Å; L602-L608 HydrophobicContact CD2-CD2 4.1Å; L602-L608 HydrophobicContact CD2-CG 4.1Å; L602-E609 HydrophobicContact CD2-CB 4.13Å; L602-L612 HydrophobicContact CD2-CD1 3.88Å
603	K	81.5	Confident	84.7	Confident	128 Å²	128	56 Å²	56	56%	0.557	29%	0.285	S	S	*	.	H	α-helix	trans	-62	-37.5	174.7	-75.4	179.8	-178.6	-179.4	0	111.9	D500 P599	D500-K603 WeakPolarHBondContact OD1-CE 3.38Å; D500-K603 IonicContact OD1-NZ 3.86Å; D500-K603 PolarHBondContact OD1-NZ 3.4Å; D500-K603 IonicContact OD2-NZ 2.62Å; D500-K603 PolarHBondContact OD2-NZ 3.25Å; P599-K603 WeakPolarHBondContact O-CB 3.49Å; P599-K603 WeakPolarHBondContact O-CG 3.46Å; P599-K603 PolarHBondContact O-N 2.87Å
604	R	82.5	Confident	84	Confident	156 Å²	156	62.8 Å²	62.8	59%	0.589	32%	0.317	S	S	*	.	H	α-helix	trans	-73.9	-35.8	178.1	-168.5	174	70.4	-107.4	2.5	113.5	A600 L601 L602	A600-R604 WeakPolarHBondContact O-CB 3.26Å; A600-R604 PolarHBondContact O-N 2.94Å; A600-R604 VanDerWaalsContact O-N 3.16Å; L601-R604 PolarHBondContact O-N 2.75Å; L602-R604 VanDerWaalsContact C-N 3.3Å; L602-R604 PolarHBondContact O-N 2.64Å
605	C	84.4	Confident	83.8	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.014	30%	0.301	C	S	.	.	S	Bend	trans	-108.9	77.2	-174.2	-57.6	0	0	0	0	111.4	F560 L601 L602 G607 L608	F560-C605 HydrophobicContact CD1-CB 3.97Å; F560-C605 HydrophobicContact CE1-CB 3.94Å; F560-C605 HydrophobicContact CG-CB 4.49Å; F560-C605 HydrophobicContact CZ-CB 4.45Å; L601-C605 WeakPolarHBondContact O-CB 3.48Å; L601-C605 PolarHBondContact O-N 2.84Å; L602-C605 CarbonylContact O-C 3.57Å; L602-C605 PolarHBondContact O-N 3.45Å; C605-G607 PolarHBondContact O-N 3.05Å; C605-L608 HydrophobicContact CB-CB 3.94Å; C605-L608 HydrophobicContact CB-CD2 4.03Å; C605-L608 WeakPolarHBondContact O-CB 3.13Å; C605-L608 PolarHBondContact O-N 3.22Å
606	K	80.2	Confident	83.6	Confident	191 Å²	191	56.5 Å²	56.5	83%	0.83	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	130.3	179.6	-68.9	-171.2	179.7	-179.5	0	111.7	F560 L608	F560-K606 WeakPolarHBondContact CZ-O 3.34Å; K606-L608 VanDerWaalsContact C-N 3.34Å
607	G	78.8	Confident	82.9	Confident	27 Å²	27	59.3 Å²	59.3	28%	0.278	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	-7.1	-178.1	0	0	0	0	0	115.3	C605 E609	C605-G607 PolarHBondContact O-N 3.05Å; G607-E609 VanDerWaalsContact C-N 3.32Å
608	L	85.8	Confident	81.1	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-64.1	-40.6	169.5	178.4	62.1	0	0	0	110.9	I556 F560 L563 L596 L601 L602 C605 K606 N610 L611 L612	I556-L608 HydrophobicContact CD1-CD1 3.84Å; I556-L608 HydrophobicContact CG1-CD1 3.84Å; I556-L608 HydrophobicContact CG2-CD1 4.36Å; F560-L608 HydrophobicContact CD2-CD1 4.15Å; F560-L608 HydrophobicContact CE2-CB 3.82Å; F560-L608 HydrophobicContact CE2-CD1 3.97Å; F560-L608 HydrophobicContact CE2-CG 4.47Å; F560-L608 HydrophobicContact CZ-CB 3.95Å; L563-L608 HydrophobicContact CD1-CD2 3.92Å; L596-L608 HydrophobicContact CD2-CD2 4.44Å; L601-L608 HydrophobicContact CD2-CD2 3.27Å; L602-L608 HydrophobicContact CD2-CB 4.39Å; L602-L608 HydrophobicContact CD2-CD2 4.1Å; L602-L608 HydrophobicContact CD2-CG 4.1Å; C605-L608 HydrophobicContact CB-CB 3.94Å; C605-L608 HydrophobicContact CB-CD2 4.03Å; C605-L608 WeakPolarHBondContact O-CB 3.13Å; C605-L608 PolarHBondContact O-N 3.22Å; K606-L608 VanDerWaalsContact C-N 3.34Å; L608-N610 VanDerWaalsContact C-N 3.29Å; L608-N610 PolarHBondContact O-N 3.03Å; L608-L611 PolarHBondContact O-N 3.3Å; L608-L611 VanDerWaalsContact O-N 3.16Å; L608-L612 HydrophobicContact CD1-CD1 4.37Å; L608-L612 HydrophobicContact CD1-CG 4.27Å; L608-L612 HydrophobicContact CG-CD1 4.01Å; L608-L612 HydrophobicContact CG-CG 4.33Å; L608-L612 WeakPolarHBondContact O-CG 3.33Å; L608-L612 PolarHBondContact O-N 3.44Å
609	E	82.7	Confident	79.2	Confident	78 Å²	78	71.4 Å²	71.4	36%	0.364	35%	0.351	S	S	.	.	H	α-helix	trans	-54.8	-44.4	177.6	-168.2	-175.5	172.6	0	0	111.7	L602 G607 L611 L612 L613	L602-E609 HydrophobicContact CD2-CB 4.13Å; G607-E609 VanDerWaalsContact C-N 3.32Å; E609-L611 PolarHBondContact O-N 3.29Å; E609-L612 PolarHBondContact O-N 2.79Å; E609-L613 HydrophobicContact CG-CD1 3.86Å; E609-L613 HydrophobicContact CG-CG 4.22Å; E609-L613 WeakPolarHBondContact O-CB 3.29Å; E609-L613 VanDerWaalsContact O-CG 3.26Å; E609-L613 WeakPolarHBondContact O-CG 3.34Å; E609-L613 PolarHBondContact O-N 2.86Å
610	N	77.4	Confident	77.3	Confident	113 Å²	113	75.8 Å²	75.8	60%	0.604	37%	0.371	S	S	*	.	H	α-helix	trans	-61.3	-42.7	178.9	-70.4	-7.8	0	0	0	112.5	L608 L612 L613 E614	L608-N610 VanDerWaalsContact C-N 3.29Å; L608-N610 PolarHBondContact O-N 3.03Å; N610-L612 VanDerWaalsContact C-N 3.35Å; N610-L613 PolarHBondContact O-N 2.6Å; N610-E614 WeakPolarHBondContact O-CB 3.23Å; N610-E614 PolarHBondContact O-N 3.01Å
611	L	81.4	Confident	75.5	Confident	30 Å²	30	76 Å²	76	16%	0.157	36%	0.359	C	S	.	.	H	α-helix	trans	-63.9	-40.9	177	-68.7	174.3	0	0	0	111.7	V555 K559 F560 L608 E609 F615	V555-L611 HydrophobicContact CG1-CD1 4.02Å; V555-L611 HydrophobicContact CG1-CD2 4.13Å; K559-L611 HydrophobicContact CD-CD1 3.99Å; F560-L611 HydrophobicContact CE2-CD1 4.12Å; L608-L611 PolarHBondContact O-N 3.3Å; L608-L611 VanDerWaalsContact O-N 3.16Å; E609-L611 PolarHBondContact O-N 3.29Å; L611-F615 WeakPolarHBondContact O-CB 3.33Å; L611-F615 PolarHBondContact O-N 3.49Å
612	L	88.3	Confident	73.5	Confident	1 Å²	1	79.6 Å²	79.6	1%	0.005	38%	0.379	C	S	.	.	H	α-helix	trans	-69.9	-40.9	178.2	-64.9	177	0	0	0	111.4	L552 I556 L596 L597 L602 L608 E609 N610 F615 L616	L552-L612 HydrophobicContact CD1-CD2 4.49Å; L552-L612 HydrophobicContact CD2-CD2 4.11Å; I556-L612 HydrophobicContact CD1-CD2 4.25Å; L596-L612 HydrophobicContact CB-CD1 3.95Å; L596-L612 HydrophobicContact CB-CD2 4.23Å; L596-L612 HydrophobicContact CD1-CD2 4.08Å; L596-L612 WeakPolarHBondContact O-CD1 3.47Å; L597-L612 HydrophobicContact CD2-CB 4.3Å; L597-L612 HydrophobicContact CD2-CD1 3.75Å; L597-L612 HydrophobicContact CG-CD1 4.27Å; L602-L612 HydrophobicContact CD2-CD1 3.88Å; L608-L612 HydrophobicContact CD1-CD1 4.37Å; L608-L612 HydrophobicContact CD1-CG 4.27Å; L608-L612 HydrophobicContact CG-CD1 4.01Å; L608-L612 HydrophobicContact CG-CG 4.33Å; L608-L612 WeakPolarHBondContact O-CG 3.33Å; L608-L612 PolarHBondContact O-N 3.44Å; E609-L612 PolarHBondContact O-N 2.79Å; N610-L612 VanDerWaalsContact C-N 3.35Å; L612-F615 PolarHBondContact O-N 3.5Å; L612-L616 VanDerWaalsContact O-CB 3.25Å; L612-L616 WeakPolarHBondContact O-CB 3.49Å; L612-L616 WeakPolarHBondContact O-CG 3.32Å; L612-L616 PolarHBondContact O-N 2.97Å
613	L	81.8	Confident	71.7	Confident	40 Å²	40	79.1 Å²	79.1	21%	0.209	38%	0.381	C	S	.	.	H	α-helix	trans	-62.7	-44.5	175.8	-73.5	173	0	0	0	111.2	Y503 E609 N610 F615 L616 C617	Y503-L613 HydrophobicContact CD1-CD2 4.34Å; Y503-L613 HydrophobicContact CD2-CD2 4.38Å; Y503-L613 HydrophobicContact CE1-CD2 3.76Å; Y503-L613 HydrophobicContact CE2-CD2 3.81Å; Y503-L613 VanDerWaalsContact CZ-CD2 3.48Å; E609-L613 HydrophobicContact CG-CD1 3.86Å; E609-L613 HydrophobicContact CG-CG 4.22Å; E609-L613 WeakPolarHBondContact O-CB 3.29Å; E609-L613 VanDerWaalsContact O-CG 3.26Å; E609-L613 WeakPolarHBondContact O-CG 3.34Å; E609-L613 PolarHBondContact O-N 2.86Å; N610-L613 PolarHBondContact O-N 2.6Å; L613-F615 VanDerWaalsContact C-N 3.33Å; L613-F615 PolarHBondContact O-N 3.22Å; L613-L616 CarbonylContact O-C 3.57Å; L613-L616 PolarHBondContact O-N 2.89Å; L613-C617 WeakPolarHBondContact O-CA 3.34Å; L613-C617 WeakPolarHBondContact O-CB 3.27Å; L613-C617 PolarHBondContact O-N 2.99Å; L613-C617 PolarHBondContact O-SG 3.04Å
614	E	77.9	Confident	69.8	Low	142 Å²	142	76.8 Å²	76.8	66%	0.664	37%	0.374	S	S	*	.	H	α-helix	trans	-58.2	-46.6	174.2	-172.5	177.1	-175.3	0	0	111.3	N610 L616 C617	N610-E614 WeakPolarHBondContact O-CB 3.23Å; N610-E614 PolarHBondContact O-N 3.01Å; E614-L616 VanDerWaalsContact C-N 3.31Å; E614-L616 PolarHBondContact O-N 2.82Å; E614-C617 PolarHBondContact O-N 3.16Å
615	F	86.5	Confident	67.8	Low	24 Å²	24	72.1 Å²	72.1	11%	0.105	38%	0.375	C	S	.	.	H	α-helix	trans	-62.6	-35.5	176.2	-175.9	-98.6	0	0	0	113.3	I525 R544 D548 F549 L552 L593 L611 L612 L613	I525-F615 HydrophobicContact CD1-CE1 3.95Å; R544-F615 HydrophobicContact CB-CZ 4.01Å; R544-F615 HydrophobicContact CG-CE1 3.99Å; R544-F615 HydrophobicContact CG-CE2 4.16Å; R544-F615 HydrophobicContact CG-CZ 3.65Å; R544-F615 VanDerWaalsContact CZ-O 3.26Å; R544-F615 PolarHBondContact NE-O 2.78Å; R544-F615 PolarHBondContact NH2-O 3.13Å; D548-F615 HydrophobicContact CB-CE2 3.78Å; D548-F615 HydrophobicContact CB-CZ 4.36Å; F549-F615 HydrophobicContact CD1-CE1 4.21Å; F549-F615 AromaticContact CD1-CZ 3.95Å; F549-F615 HydrophobicContact CD1-CZ 3.95Å; F549-F615 HydrophobicContact CD2-CZ 4.21Å; F549-F615 AromaticContact CE1-CE1 3.97Å; F549-F615 HydrophobicContact CE1-CE1 3.97Å; F549-F615 HydrophobicContact CE1-CZ 4.07Å; F549-F615 HydrophobicContact CE2-CZ 4.3Å; F549-F615 HydrophobicContact CG-CZ 4.04Å; F549-F615 HydrophobicContact CZ-CE1 4.23Å; F549-F615 HydrophobicContact CZ-CZ 4.25Å; L552-F615 HydrophobicContact CB-CD2 4.12Å; L552-F615 HydrophobicContact CB-CE2 4.21Å; L552-F615 HydrophobicContact CD1-CB 4.29Å; L552-F615 HydrophobicContact CD1-CG 4.49Å; L552-F615 HydrophobicContact CD2-CB 4.23Å; L552-F615 HydrophobicContact CD2-CD1 3.81Å; L552-F615 HydrophobicContact CD2-CD2 3.95Å; L552-F615 HydrophobicContact CD2-CE1 4.1Å; L552-F615 HydrophobicContact CD2-CE2 4.22Å; L552-F615 HydrophobicContact CD2-CG 3.73Å; L552-F615 HydrophobicContact CD2-CZ 4.29Å; L552-F615 HydrophobicContact CG-CD2 4.42Å; L593-F615 HydrophobicContact CD2-CE1 4.38Å; L611-F615 WeakPolarHBondContact O-CB 3.33Å; L611-F615 PolarHBondContact O-N 3.49Å; L612-F615 PolarHBondContact O-N 3.5Å; L613-F615 VanDerWaalsContact C-N 3.33Å; L613-F615 PolarHBondContact O-N 3.22Å
616	L	86.8	Confident	66	Low	2 Å²	2	73.2 Å²	73.2	1%	0.01	39%	0.387	C	S	.	.	H	α-helix	trans	-93.7	-6.9	-176.4	-65.3	173.1	0	0	0	113.9	T505 I525 V527 W540 V542 L597 L612 L613 E614	T505-L616 HydrophobicContact CG2-CD1 3.84Å; T505-L616 HydrophobicContact CG2-CD2 4.01Å; I525-L616 HydrophobicContact CD1-CD2 4.45Å; I525-L616 HydrophobicContact CG2-CD2 4.2Å; V527-L616 HydrophobicContact CG2-CB 4.31Å; V527-L616 HydrophobicContact CG2-CD2 3.97Å; W540-L616 PolarHBondContact NE1-O 3.17Å; V542-L616 VanDerWaalsContact CG1-O 3.24Å; V542-L616 WeakPolarHBondContact CG1-O 3.45Å; V542-L616 HydrophobicContact CG2-CD2 4.43Å; L597-L616 HydrophobicContact CD1-CD1 4.14Å; L597-L616 HydrophobicContact CD2-CD1 4.29Å; L612-L616 VanDerWaalsContact O-CB 3.25Å; L612-L616 WeakPolarHBondContact O-CB 3.49Å; L612-L616 WeakPolarHBondContact O-CG 3.32Å; L612-L616 PolarHBondContact O-N 2.97Å; L613-L616 CarbonylContact O-C 3.57Å; L613-L616 PolarHBondContact O-N 2.89Å; E614-L616 VanDerWaalsContact C-N 3.31Å; E614-L616 PolarHBondContact O-N 2.82Å
617	C	75.9	Confident	64.8	Low	59 Å²	59	67.9 Å²	67.9	40%	0.399	37%	0.37	S	S	.	.	S	Bend	trans	-76	157	-177.8	-94.5	0	0	0	0	113.2	R544 L613 E614 M619	R544-C617 PolarHBondContact NH2-O 3.25Å; L613-C617 WeakPolarHBondContact O-CA 3.34Å; L613-C617 WeakPolarHBondContact O-CB 3.27Å; L613-C617 PolarHBondContact O-N 2.99Å; L613-C617 PolarHBondContact O-SG 3.04Å; E614-C617 PolarHBondContact O-N 3.16Å; C617-M619 VanDerWaalsContact C-N 3.29Å; C617-M619 PolarHBondContact O-N 3.12Å
618	R	52.7	Low	63.8	Low	192 Å²	192	69.7 Å²	69.7	73%	0.725	37%	0.373	S	S	*	.			trans	-69.9	77.4	178.1	-69.2	-173	179.8	-175.7	-1.6	111.2	W540	W540-R618 HydrophobicContact CG-CG 4.25Å
619	M	46	Very low	62.5	Low	149 Å²	149	71.4 Å²	71.4	73%	0.734	38%	0.384	S	S	*	.			trans	-100.5	129.7	153.2	-66.9	-80.5	-130.6	0	0	106.1	C617 Y621	C617-M619 VanDerWaalsContact C-N 3.29Å; C617-M619 PolarHBondContact O-N 3.12Å; M619-Y621 PolarHBondContact O-N 3.37Å
620	D	42.7	Very low	61.5	Low	150 Å²	150	70.4 Å²	70.4	80%	0.802	38%	0.379	S	S	*	.			trans	-51	130.9	166.7	-68.1	-36.1	0	0	0	107.4	N622	D620-N622 VanDerWaalsContact C-N 3.32Å; D620-N622 PolarHBondContact O-N 3.05Å
621	Y	44.6	Very low	60.9	Low	68 Å²	68	66.5 Å²	66.5	27%	0.267	36%	0.357	S	S	.	.			trans	-67.7	95.1	-179.4	173.6	-93.4	0	0	0	108.4	T543 R545 M619	T543-Y621 WeakPolarHBondContact O-CD2 3.39Å; R545-Y621 WeakPolarHBondContact CD-OH 3.32Å; R545-Y621 HydrophobicContact CG-CE2 4.24Å; R545-Y621 VanDerWaalsContact CG-OH 3.23Å; R545-Y621 WeakPolarHBondContact CG-OH 3.42Å; R545-Y621 PolarHBondContact NE-OH 3.28Å; R545-Y621 PolarHBondContact NH2-OH 2.72Å; M619-Y621 PolarHBondContact O-N 3.37Å
622	N	42.6	Very low	60.1	Low	90 Å²	90	67.4 Å²	67.4	48%	0.481	36%	0.362	S	S	.	.			trans	-81.6	111.3	166.2	-68.7	-2.4	0	0	0	106.6	D620 D624 G625 E762	D620-N622 VanDerWaalsContact C-N 3.32Å; D620-N622 PolarHBondContact O-N 3.05Å; N622-D624 PolarHBondContact O-N 2.81Å; N622-G625 PolarHBondContact O-N 2.93Å; N622-E762 PolarHBondContact ND2-OE1 3.03Å
623	G	45	Very low	59	Low	20 Å²	20	69.1 Å²	69.1	21%	0.206	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-10.5	-178.9	0	0	0	0	0	115.5	E515 R545	E515-G623 VanDerWaalsContact OE1-C 3.29Å; E515-G623 WeakPolarHBondContact OE1-CA 3.39Å; R545-G623 PolarHBondContact NH2-O 3.2Å
624	D	42.5	Very low	58.3	Low	78 Å²	78	70.1 Å²	70.1	42%	0.417	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	2.8	-174.1	-151.2	7.7	0	0	0	115	N622 G626 K631	N622-D624 PolarHBondContact O-N 2.81Å; D624-G626 VanDerWaalsContact C-N 3.29Å; D624-G626 PolarHBondContact O-N 3.42Å; D624-K631 WeakPolarHBondContact O-CE 3.17Å; D624-K631 PolarHBondContact O-NZ 2.78Å; D624-K631 IonicContact OD1-NZ 3.72Å; D624-K631 PolarHBondContact OD1-NZ 2.76Å; D624-K631 IonicContact OD2-NZ 3.99Å
625	G	39.6	Very low	57.7	Low	58 Å²	58	64.4 Å²	64.4	60%	0.598	36%	0.356	S	S	*	.			trans	-78.1	39.6	-167.7	0	0	0	0	0	117.7	N622	N622-G625 PolarHBondContact O-N 2.93Å
626	G	47.9	Very low	56.8	Low	26 Å²	26	64.5 Å²	64.5	27%	0.268	36%	0.358	S	S	.	.			trans	-66.5	141.2	169.2	0	0	0	0	0	111.2	D624 E630	D624-G626 VanDerWaalsContact C-N 3.29Å; D624-G626 PolarHBondContact O-N 3.42Å; G626-E630 WeakPolarHBondContact CA-OE2 3.49Å
627	T	54.4	Low	55.9	Low	78 Å²	78	67.9 Å²	67.9	48%	0.479	38%	0.376	S	S	.	.			trans	-61.2	153.4	167.6	60.2	0	0	0	0	109.9	V629 E630 K631	T627-V629 PolarHBondContact O-N 3.21Å; T627-V629 VanDerWaalsContact O-N 3.1Å; T627-E630 PolarHBondContact N-OE2 3.45Å; T627-E630 PolarHBondContact O-N 3.3Å; T627-E630 VanDerWaalsContact OG1-CD 3.24Å; T627-E630 WeakPolarHBondContact OG1-CG 3.24Å; T627-E630 PolarHBondContact OG1-N 3.45Å; T627-E630 PolarHBondContact OG1-OE2 2.86Å; T627-E630 VanDerWaalsContact OG1-OE2 3.12Å; T627-K631 PolarHBondContact O-N 2.85Å; T627-K631 VanDerWaalsContact O-N 3.09Å
628	L	57.2	Low	55.4	Low	65 Å²	65	66.5 Å²	66.5	34%	0.34	37%	0.366	S	S	.	.	H	α-helix	trans	-48.6	-40.5	175.4	179.4	65	0	0	0	111.8	L218 K631 L632 Y754 W757 L758	L218-L628 HydrophobicContact CD2-CD2 3.24Å; L218-L628 HydrophobicContact CD2-CG 4.29Å; L628-K631 PolarHBondContact O-N 2.69Å; L628-L632 VanDerWaalsContact O-CB 3.27Å; L628-L632 WeakPolarHBondContact O-CB 3.24Å; L628-L632 PolarHBondContact O-N 3.47Å; L628-Y754 WeakPolarHBondContact CD1-OH 3.5Å; L628-W757 HydrophobicContact CB-CH2 4.31Å; L628-W757 HydrophobicContact CD1-CH2 3.85Å; L628-W757 HydrophobicContact CD1-CZ3 3.69Å; L628-L758 HydrophobicContact CD1-CD2 4.14Å
629	V	58.7	Low	56.1	Low	37 Å²	37	59.9 Å²	59.9	22%	0.224	35%	0.345	C	S	.	.	H	α-helix	trans	-63.5	-42.3	177.7	176.3	0	0	0	0	112.6	A221 T627 N633	A221-V629 HydrophobicContact CB-CG1 3.29Å; T627-V629 PolarHBondContact O-N 3.21Å; T627-V629 VanDerWaalsContact O-N 3.1Å; V629-N633 WeakPolarHBondContact O-CB 3.25Å; V629-N633 VanDerWaalsContact O-CG 3.3Å; V629-N633 PolarHBondContact O-N 3.16Å; V629-N633 PolarHBondContact O-ND2 2.88Å; V629-N633 VanDerWaalsContact O-ND2 3.08Å
630	E	61.6	Low	57.1	Low	57 Å²	57	55.7 Å²	55.7	27%	0.266	32%	0.321	S	S	.	.	H	α-helix	trans	-68.8	-40.1	179	-72.4	163.7	155.2	0	0	111.9	N551 G626 T627 N633 S634	N551-E630 VanDerWaalsContact CB-OE1 3.25Å; N551-E630 WeakPolarHBondContact CB-OE1 3.35Å; N551-E630 VanDerWaalsContact ND2-CD 3.27Å; N551-E630 PolarHBondContact ND2-OE1 3.3Å; G626-E630 WeakPolarHBondContact CA-OE2 3.49Å; T627-E630 PolarHBondContact N-OE2 3.45Å; T627-E630 PolarHBondContact O-N 3.3Å; T627-E630 VanDerWaalsContact OG1-CD 3.24Å; T627-E630 WeakPolarHBondContact OG1-CG 3.24Å; T627-E630 PolarHBondContact OG1-N 3.45Å; T627-E630 PolarHBondContact OG1-OE2 2.86Å; T627-E630 VanDerWaalsContact OG1-OE2 3.12Å; E630-N633 PolarHBondContact O-N 2.85Å; E630-S634 PolarHBondContact O-N 3.45Å
631	K	64.2	Low	58.3	Low	30 Å²	30	51.9 Å²	51.9	13%	0.13	31%	0.306	C	S	.	.	H	α-helix	trans	-68.9	-40.7	175.5	-69.2	-161.8	-179.9	-155.4	0	111.7	D624 T627 L628 N633 S634 V635 Y754 W757	D624-K631 WeakPolarHBondContact O-CE 3.17Å; D624-K631 PolarHBondContact O-NZ 2.78Å; D624-K631 IonicContact OD1-NZ 3.72Å; D624-K631 PolarHBondContact OD1-NZ 2.76Å; D624-K631 IonicContact OD2-NZ 3.99Å; T627-K631 PolarHBondContact O-N 2.85Å; T627-K631 VanDerWaalsContact O-N 3.09Å; L628-K631 PolarHBondContact O-N 2.69Å; K631-N633 PolarHBondContact O-N 3.2Å; K631-S634 WeakPolarHBondContact O-CB 3.49Å; K631-S634 PolarHBondContact O-N 3.14Å; K631-S634 VanDerWaalsContact O-N 3.15Å; K631-S634 PolarHBondContact O-OG 3.35Å; K631-V635 PolarHBondContact O-N 3.37Å; K631-Y754 HydrophobicContact CB-CD2 3.98Å; K631-Y754 HydrophobicContact CB-CE2 3.66Å; K631-W757 HydrophobicContact CB-CZ3 4.42Å; K631-W757 HydrophobicContact CD-CD2 3.34Å; K631-W757 HydrophobicContact CD-CE3 3.66Å; K631-W757 HydrophobicContact CD-CG 3.79Å; K631-W757 HydrophobicContact CD-CH2 4.04Å; K631-W757 HydrophobicContact CD-CZ2 3.73Å; K631-W757 HydrophobicContact CD-CZ3 4.01Å
632	L	64.5	Low	59.3	Low	50 Å²	50	48.8 Å²	48.8	26%	0.262	30%	0.295	S	S	.	.	H	α-helix	trans	-55.3	-51	170.4	-170.8	96.7	0	0	0	110.6	L628 S634 V635 V636	L628-L632 VanDerWaalsContact O-CB 3.27Å; L628-L632 WeakPolarHBondContact O-CB 3.24Å; L628-L632 PolarHBondContact O-N 3.47Å; L632-S634 VanDerWaalsContact C-N 3.27Å; L632-S634 PolarHBondContact O-N 2.87Å; L632-V635 PolarHBondContact O-N 3.17Å; L632-V636 HydrophobicContact CD2-CG2 4.46Å; L632-V636 HydrophobicContact CG-CG2 4.07Å; L632-V636 WeakPolarHBondContact O-CB 3.4Å; L632-V636 VanDerWaalsContact O-CG2 3.31Å; L632-V636 WeakPolarHBondContact O-CG2 3.29Å; L632-V636 PolarHBondContact O-N 2.63Å
633	N	66.1	Low	60.4	Low	36 Å²	36	44.7 Å²	44.7	19%	0.193	27%	0.273	C	S	.	.	H	α-helix	trans	-61.5	-33.6	178	-75.1	-37.5	0	0	0	112.7	V629 E630 K631 V635 V636 D637	V629-N633 WeakPolarHBondContact O-CB 3.25Å; V629-N633 VanDerWaalsContact O-CG 3.3Å; V629-N633 PolarHBondContact O-N 3.16Å; V629-N633 PolarHBondContact O-ND2 2.88Å; V629-N633 VanDerWaalsContact O-ND2 3.08Å; E630-N633 PolarHBondContact O-N 2.85Å; K631-N633 PolarHBondContact O-N 3.2Å; N633-V635 PolarHBondContact O-N 2.84Å; N633-V636 PolarHBondContact O-N 3.05Å; N633-D637 WeakPolarHBondContact O-CB 3.49Å; N633-D637 VanDerWaalsContact O-CG 3.3Å; N633-D637 PolarHBondContact O-N 3.03Å
634	S	66.7	Low	61.4	Low	62 Å²	62	47.9 Å²	47.9	43%	0.434	28%	0.282	S	S	.	.	H	α-helix	trans	-64.4	-23	176.2	81.9	0	0	0	0	114.2	E630 K631 L632 P638	E630-S634 PolarHBondContact O-N 3.45Å; K631-S634 WeakPolarHBondContact O-CB 3.49Å; K631-S634 PolarHBondContact O-N 3.14Å; K631-S634 VanDerWaalsContact O-N 3.15Å; K631-S634 PolarHBondContact O-OG 3.35Å; L632-S634 VanDerWaalsContact C-N 3.27Å; L632-S634 PolarHBondContact O-N 2.87Å; S634-P638 VanDerWaalsContact O-CD 3.27Å; S634-P638 WeakPolarHBondContact O-CD 3.26Å; S634-P638 WeakPolarHBondContact O-CG 3.44Å
635	V	65.8	Low	62.3	Low	21 Å²	21	51 Å²	51	13%	0.127	29%	0.291	C	S	.	.	H	α-helix	trans	-91.3	-42.4	173.7	179.7	0	0	0	0	110.8	K631 L632 N633 P638 I639 Y754	K631-V635 PolarHBondContact O-N 3.37Å; L632-V635 PolarHBondContact O-N 3.17Å; N633-V635 PolarHBondContact O-N 2.84Å; V635-P638 WeakPolarHBondContact O-CD 3.17Å; V635-I639 HydrophobicContact CG1-CD1 4.49Å; V635-I639 WeakPolarHBondContact O-CG1 3.43Å; V635-Y754 HydrophobicContact CG2-CG 4.2Å
636	V	66.7	Low	63	Low	26 Å²	26	48.4 Å²	48.4	16%	0.158	26%	0.264	C	S	.	.	H	α-helix	trans	-75	-38.9	-175.9	174.3	0	0	0	0	113.1	L632 N633 I639 R640 L807	L632-V636 HydrophobicContact CD2-CG2 4.46Å; L632-V636 HydrophobicContact CG-CG2 4.07Å; L632-V636 WeakPolarHBondContact O-CB 3.4Å; L632-V636 VanDerWaalsContact O-CG2 3.31Å; L632-V636 WeakPolarHBondContact O-CG2 3.29Å; L632-V636 PolarHBondContact O-N 2.63Å; N633-V636 PolarHBondContact O-N 3.05Å; V636-I639 WeakPolarHBondContact O-CA 3.09Å; V636-I639 WeakPolarHBondContact O-CB 3.31Å; V636-I639 PolarHBondContact O-N 2.98Å; V636-I639 VanDerWaalsContact O-N 3.08Å; V636-R640 PolarHBondContact O-N 3.32Å; V636-L807 HydrophobicContact CG1-CD1 4.24Å
637	D	69.1	Low	63.4	Low	74 Å²	74	47.4 Å²	47.4	40%	0.396	25%	0.254	S	S	.	.	H	α-helix	trans	-63.2	-43.4	-176.8	-75.8	-27.7	0	0	0	113.1	N633 I639 R640 S641	N633-D637 WeakPolarHBondContact O-CB 3.49Å; N633-D637 VanDerWaalsContact O-CG 3.3Å; N633-D637 PolarHBondContact O-N 3.03Å; D637-I639 VanDerWaalsContact C-N 3.27Å; D637-I639 PolarHBondContact O-N 2.78Å; D637-R640 PolarHBondContact O-N 2.78Å; D637-R640 IonicContact OD1-CZ 3.54Å; D637-R640 IonicContact OD1-NH1 3.26Å; D637-R640 PolarHBondContact OD1-NH1 2.9Å; D637-S641 WeakPolarHBondContact O-CB 3.3Å; D637-S641 PolarHBondContact O-N 3.49Å; D637-S641 PolarHBondContact O-OG 2.91Å
638	P	65.8	Low	63.5	Low	29 Å²	29	48 Å²	48	19%	0.188	25%	0.254	C	S	.	.	H	α-helix	trans	-55.4	-42.4	169.7	-26.6	34.8	0	0	0	112.5	S634 V635 S641 G642 M742	S634-P638 VanDerWaalsContact O-CD 3.27Å; S634-P638 WeakPolarHBondContact O-CD 3.26Å; S634-P638 WeakPolarHBondContact O-CG 3.44Å; V635-P638 WeakPolarHBondContact O-CD 3.17Å; P638-S641 WeakPolarHBondContact CA-OG 3.3Å; P638-S641 PolarHBondContact O-N 2.82Å; P638-S641 PolarHBondContact O-OG 3.15Å; P638-G642 PolarHBondContact O-N 2.78Å; P638-M742 HydrophobicContact CB-CE 3.94Å
639	I	67.1	Low	63.2	Low	53 Å²	53	46.8 Å²	46.8	27%	0.272	25%	0.253	S	S	.	.	H	α-helix	trans	-61.7	-51.6	178	-62.2	165.7	0	0	0	109.3	V635 V636 D637 S641 G642 V643 M742	V635-I639 HydrophobicContact CG1-CD1 4.49Å; V635-I639 WeakPolarHBondContact O-CG1 3.43Å; V636-I639 WeakPolarHBondContact O-CA 3.09Å; V636-I639 WeakPolarHBondContact O-CB 3.31Å; V636-I639 PolarHBondContact O-N 2.98Å; V636-I639 VanDerWaalsContact O-N 3.08Å; D637-I639 VanDerWaalsContact C-N 3.27Å; D637-I639 PolarHBondContact O-N 2.78Å; I639-S641 VanDerWaalsContact C-N 3.28Å; I639-S641 PolarHBondContact O-N 2.94Å; I639-G642 PolarHBondContact O-N 3.28Å; I639-G642 VanDerWaalsContact O-N 3.11Å; I639-V643 HydrophobicContact CG2-CG2 4.35Å; I639-V643 WeakPolarHBondContact O-CG2 3.34Å; I639-V643 PolarHBondContact O-N 3.04Å; I639-M742 VanDerWaalsContact CA-CE 3.47Å; I639-M742 HydrophobicContact CB-CE 4.05Å; I639-M742 HydrophobicContact CB-SD 4.44Å; I639-M742 HydrophobicContact CG1-CE 3.44Å; I639-M742 VanDerWaalsContact CG1-CE 3.44Å; I639-M742 HydrophobicContact CG1-SD 4.24Å
640	R	67.3	Low	62.7	Low	61 Å²	61	47.4 Å²	47.4	23%	0.23	26%	0.257	C	S	.	.	H	α-helix	trans	-55.9	-42.2	177.5	-177.1	-179.1	-64.8	145.6	-6.4	111.8	V636 D637 K644 P809	V636-R640 PolarHBondContact O-N 3.32Å; D637-R640 PolarHBondContact O-N 2.78Å; D637-R640 IonicContact OD1-CZ 3.54Å; D637-R640 IonicContact OD1-NH1 3.26Å; D637-R640 PolarHBondContact OD1-NH1 2.9Å; R640-K644 VanDerWaalsContact O-CG 3.28Å; R640-K644 WeakPolarHBondContact O-CG 3.49Å; R640-K644 PolarHBondContact O-N 3.32Å; R640-K644 VanDerWaalsContact O-N 3.1Å; R640-P809 HydrophobicContact CB-CG 4.2Å; R640-P809 HydrophobicContact CG-CB 4.33Å; R640-P809 HydrophobicContact CG-CG 3.99Å
641	S	66.7	Low	62.1	Low	70 Å²	70	49.5 Å²	49.5	49%	0.49	27%	0.269	S	S	.	.	H	α-helix	trans	-71.2	-36.5	177.1	68.2	0	0	0	0	113.6	D637 P638 I639 K644 F645	D637-S641 WeakPolarHBondContact O-CB 3.3Å; D637-S641 PolarHBondContact O-N 3.49Å; D637-S641 PolarHBondContact O-OG 2.91Å; P638-S641 WeakPolarHBondContact CA-OG 3.3Å; P638-S641 PolarHBondContact O-N 2.82Å; P638-S641 PolarHBondContact O-OG 3.15Å; I639-S641 VanDerWaalsContact C-N 3.28Å; I639-S641 PolarHBondContact O-N 2.94Å; S641-K644 WeakPolarHBondContact O-CB 3.39Å; S641-K644 PolarHBondContact O-N 3.32Å; S641-F645 WeakPolarHBondContact O-CB 3.19Å; S641-F645 PolarHBondContact O-N 3.27Å
642	G	65.1	Low	61.1	Low	4 Å²	4	52.3 Å²	52.3	4%	0.041	29%	0.292	C	S	.	.	H	α-helix	trans	-65.8	-46.1	176.3	0	0	0	0	0	111.5	P638 I639 K644 F645 V646	P638-G642 PolarHBondContact O-N 2.78Å; I639-G642 PolarHBondContact O-N 3.28Å; I639-G642 VanDerWaalsContact O-N 3.11Å; G642-K644 VanDerWaalsContact C-N 3.32Å; G642-K644 PolarHBondContact O-N 3.36Å; G642-F645 PolarHBondContact O-N 3.24Å; G642-V646 WeakPolarHBondContact O-CG2 3.29Å; G642-V646 PolarHBondContact O-N 3.32Å
643	V	67.4	Low	59.7	Low	3 Å²	3	54.4 Å²	54.4	2%	0.018	30%	0.302	C	S	.	.	H	α-helix	trans	-55.2	-47.9	171	173.9	0	0	0	0	110.7	I639 F645 V646 G647 L738 P809 E811 F812	I639-V643 HydrophobicContact CG2-CG2 4.35Å; I639-V643 WeakPolarHBondContact O-CG2 3.34Å; I639-V643 PolarHBondContact O-N 3.04Å; V643-F645 VanDerWaalsContact C-N 3.33Å; V643-F645 PolarHBondContact O-N 3.33Å; V643-V646 PolarHBondContact O-N 2.97Å; V643-G647 WeakPolarHBondContact O-CA 3.38Å; V643-G647 PolarHBondContact O-N 3.49Å; V643-L738 HydrophobicContact CB-CD1 4.16Å; V643-L738 HydrophobicContact CG2-CD1 3.28Å; V643-L738 HydrophobicContact CG2-CG 4.46Å; V643-P809 HydrophobicContact CB-CB 4.25Å; V643-P809 HydrophobicContact CB-CG 4.01Å; V643-P809 HydrophobicContact CG1-CB 3.8Å; V643-P809 HydrophobicContact CG1-CG 3.97Å; V643-P809 HydrophobicContact CG2-CG 4.08Å; V643-E811 HydrophobicContact CG1-CB 4.11Å; V643-F812 HydrophobicContact CG1-CB 3.77Å
644	K	65.3	Low	58.2	Low	88 Å²	88	56.7 Å²	56.7	38%	0.383	32%	0.319	S	S	.	.	H	α-helix	trans	-59	-44.8	178.6	-80.5	-174.6	172.9	-148	0	112.6	R640 S641 G642 N648 E811	R640-K644 VanDerWaalsContact O-CG 3.28Å; R640-K644 WeakPolarHBondContact O-CG 3.49Å; R640-K644 PolarHBondContact O-N 3.32Å; R640-K644 VanDerWaalsContact O-N 3.1Å; S641-K644 WeakPolarHBondContact O-CB 3.39Å; S641-K644 PolarHBondContact O-N 3.32Å; G642-K644 VanDerWaalsContact C-N 3.32Å; G642-K644 PolarHBondContact O-N 3.36Å; K644-N648 VanDerWaalsContact O-CB 3.27Å; K644-N648 WeakPolarHBondContact O-CB 3.46Å; K644-N648 PolarHBondContact O-N 3.46Å; K644-N648 PolarHBondContact O-ND2 3.02Å; K644-E811 WeakPolarHBondContact CE-OE1 3.39Å; K644-E811 VanDerWaalsContact CG-CD 3.42Å; K644-E811 HydrophobicContact CG-CG 4.35Å; K644-E811 WeakPolarHBondContact CG-OE1 3.49Å; K644-E811 VanDerWaalsContact CG-OE2 3.25Å; K644-E811 WeakPolarHBondContact CG-OE2 3.3Å; K644-E811 IonicContact NZ-OE1 2.64Å
645	F	62.1	Low	56.6	Low	142 Å²	142	58.2 Å²	58.2	62%	0.623	32%	0.322	S	S	*	.	H	α-helix	trans	-64.9	-50.4	179.9	179.8	-96.8	0	0	0	111.8	S641 G642 V643 A649 A741	S641-F645 WeakPolarHBondContact O-CB 3.19Å; S641-F645 PolarHBondContact O-N 3.27Å; G642-F645 PolarHBondContact O-N 3.24Å; V643-F645 VanDerWaalsContact C-N 3.33Å; V643-F645 PolarHBondContact O-N 3.33Å; F645-A649 WeakPolarHBondContact O-CB 3.5Å; F645-A649 PolarHBondContact O-N 2.94Å; F645-A741 HydrophobicContact CD1-CB 3.98Å; F645-A741 HydrophobicContact CE1-CB 4.43Å
646	V	53.7	Low	55.1	Low	5 Å²	5	63.4 Å²	63.4	3%	0.03	35%	0.354	C	S	.	.	H	α-helix	trans	-68.2	-42.2	179.6	-179.9	0	0	0	0	110.9	G642 V643 N648 A649 V650 F734 Q737 L738 A741	G642-V646 WeakPolarHBondContact O-CG2 3.29Å; G642-V646 PolarHBondContact O-N 3.32Å; V643-V646 PolarHBondContact O-N 2.97Å; V646-N648 PolarHBondContact O-N 2.94Å; V646-A649 WeakPolarHBondContact O-CB 3.19Å; V646-A649 PolarHBondContact O-N 3.02Å; V646-V650 HydrophobicContact CG1-CG2 4.16Å; V646-V650 WeakPolarHBondContact O-CB 3.36Å; V646-V650 VanDerWaalsContact O-CG2 3.25Å; V646-V650 WeakPolarHBondContact O-CG2 3.47Å; V646-V650 PolarHBondContact O-N 3.37Å; V646-F734 HydrophobicContact CB-CE2 4.17Å; V646-F734 HydrophobicContact CG1-CD2 3.67Å; V646-F734 HydrophobicContact CG1-CE2 3.48Å; V646-F734 VanDerWaalsContact CG1-CE2 3.48Å; V646-F734 HydrophobicContact CG1-CZ 4.37Å; V646-Q737 HydrophobicContact CG1-CB 4.3Å; V646-L738 HydrophobicContact CG2-CB 4.45Å; V646-A741 HydrophobicContact CG2-CB 3.83Å
647	G	56.9	Low	53.3	Low	4 Å²	4	67.2 Å²	67.2	4%	0.041	37%	0.373	C	S	.	.	H	α-helix	trans	-57.3	-50.1	175.6	0	0	0	0	0	111.8	V643 A649 V650 I651	V643-G647 WeakPolarHBondContact O-CA 3.38Å; V643-G647 PolarHBondContact O-N 3.49Å; G647-A649 VanDerWaalsContact C-N 3.33Å; G647-A649 PolarHBondContact O-N 3.4Å; G647-V650 PolarHBondContact O-N 3.32Å; G647-I651 WeakPolarHBondContact O-CB 3.26Å; G647-I651 WeakPolarHBondContact O-CD1 3.38Å; G647-I651 WeakPolarHBondContact O-CG1 3.45Å; G647-I651 PolarHBondContact O-N 3.33Å
648	N	56.6	Low	51.9	Low	92 Å²	92	67.7 Å²	67.7	49%	0.492	38%	0.375	S	S	.	.	H	α-helix	trans	-61.1	-41.5	175	-73.3	-21.5	0	0	0	112.1	K644 V646 V650 I651 S652	K644-N648 VanDerWaalsContact O-CB 3.27Å; K644-N648 WeakPolarHBondContact O-CB 3.46Å; K644-N648 PolarHBondContact O-N 3.46Å; K644-N648 PolarHBondContact O-ND2 3.02Å; V646-N648 PolarHBondContact O-N 2.94Å; N648-V650 VanDerWaalsContact C-N 3.35Å; N648-V650 PolarHBondContact O-N 2.99Å; N648-I651 PolarHBondContact O-N 3.19Å; N648-S652 VanDerWaalsContact O-CB 3.24Å; N648-S652 WeakPolarHBondContact O-CB 3.43Å; N648-S652 PolarHBondContact O-N 2.92Å; N648-S652 PolarHBondContact O-OG 2.81Å
649	A	49.6	Very low	50.2	Low	39 Å²	39	70.7 Å²	70.7	32%	0.322	39%	0.389	S	S	.	.	H	α-helix	trans	-62.4	-41.1	177.1	0	0	0	0	0	112.2	F645 V646 G647 S652 M653	F645-A649 WeakPolarHBondContact O-CB 3.5Å; F645-A649 PolarHBondContact O-N 2.94Å; V646-A649 WeakPolarHBondContact O-CB 3.19Å; V646-A649 PolarHBondContact O-N 3.02Å; G647-A649 VanDerWaalsContact C-N 3.33Å; G647-A649 PolarHBondContact O-N 3.4Å; A649-S652 PolarHBondContact O-OG 3.14Å; A649-M653 WeakPolarHBondContact O-CG 3.49Å
650	V	47.7	Very low	48.2	Very low	50 Å²	50	70.1 Å²	70.1	30%	0.303	40%	0.396	S	S	.	.	H	α-helix	trans	-68.9	-41.6	177	172.2	0	0	0	0	111.5	V646 G647 N648	V646-V650 HydrophobicContact CG1-CG2 4.16Å; V646-V650 WeakPolarHBondContact O-CB 3.36Å; V646-V650 VanDerWaalsContact O-CG2 3.25Å; V646-V650 WeakPolarHBondContact O-CG2 3.47Å; V646-V650 PolarHBondContact O-N 3.37Å; G647-V650 PolarHBondContact O-N 3.32Å; N648-V650 VanDerWaalsContact C-N 3.35Å; N648-V650 PolarHBondContact O-N 2.99Å
651	I	48.8	Very low	46.4	Very low	101 Å²	101	70.9 Å²	70.9	52%	0.518	41%	0.408	S	S	.	.	H	α-helix	trans	-68.6	-37.7	178.9	-64.3	160.4	0	0	0	111.5	G647 N648 M653 L814	G647-I651 WeakPolarHBondContact O-CB 3.26Å; G647-I651 WeakPolarHBondContact O-CD1 3.38Å; G647-I651 WeakPolarHBondContact O-CG1 3.45Å; G647-I651 PolarHBondContact O-N 3.33Å; N648-I651 PolarHBondContact O-N 3.19Å; I651-M653 VanDerWaalsContact C-N 3.34Å; I651-M653 PolarHBondContact O-N 3.08Å; I651-L814 HydrophobicContact CD1-CD2 3.64Å; I651-L814 HydrophobicContact CG1-CD2 4.09Å
652	S	43.3	Very low	44.8	Very low	89 Å²	89	69.2 Å²	69.2	62%	0.622	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	3.9	-172.3	68.8	0	0	0	0	115.6	N648 A649	N648-S652 VanDerWaalsContact O-CB 3.24Å; N648-S652 WeakPolarHBondContact O-CB 3.43Å; N648-S652 PolarHBondContact O-N 2.92Å; N648-S652 PolarHBondContact O-OG 2.81Å; A649-S652 PolarHBondContact O-OG 3.14Å
653	M	36.6	Very low	43.2	Very low	93 Å²	93	74 Å²	74	46%	0.458	42%	0.415	S	S	.	.			trans	-90.7	128.4	-168.7	-99.8	-165.9	168.8	0	0	114.3	A649 I651 V661	A649-M653 WeakPolarHBondContact O-CG 3.49Å; I651-M653 VanDerWaalsContact C-N 3.34Å; I651-M653 PolarHBondContact O-N 3.08Å; M653-V661 HydrophobicContact CE-CG2 3.59Å
654	P	33.3	Very low	41.3	Very low	85 Å²	85	78.6 Å²	78.6	55%	0.552	44%	0.443	S	S	*	.			trans	-76.2	154.1	170.3	-9.4	25.6	0	0	0	113.3	T656	P654-T656 PolarHBondContact O-N 3.34Å
655	D	32.7	Very low	39.6	Very low	94 Å²	94	76 Å²	76	50%	0.503	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-10.8	-168	-65.8	-28.5	0	0	0	117.6
656	T	35.3	Very low	38.1	Very low	129 Å²	129	73.2 Å²	73.2	79%	0.791	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	4.7	-169.4	53.7	0	0	0	0	116.2	P654	P654-T656 PolarHBondContact O-N 3.34Å
657	L	28.9	Very low	36.8	Very low	106 Å²	106	75.2 Å²	75.2	56%	0.555	46%	0.455	S	S	*	.			trans	-118.9	25	-169.5	-76.5	168.1	0	0	0	116.1	D659	L657-D659 VanDerWaalsContact C-N 3.31Å; L657-D659 PolarHBondContact O-N 2.98Å
658	I	39.3	Very low	35.4	Very low	85 Å²	85	81 Å²	81	44%	0.436	48%	0.484	S	S	.	.	H	α-helix	trans	-63.1	-31.5	179.1	-67.5	167.5	0	0	0	112.9	G660	I658-G660 VanDerWaalsContact C-N 3.34Å; I658-G660 PolarHBondContact O-N 3.46Å
659	D	29.9	Very low	33.9	Very low	91 Å²	91	77.8 Å²	77.8	49%	0.487	47%	0.472	S	S	.	.	H	α-helix	trans	-76.4	-16.2	-172.3	-167	43.2	0	0	0	114	L657 K663	L657-D659 VanDerWaalsContact C-N 3.31Å; L657-D659 PolarHBondContact O-N 2.98Å; D659-K663 VanDerWaalsContact CG-NZ 3.32Å; D659-K663 WeakPolarHBondContact O-CD 3.28Å; D659-K663 WeakPolarHBondContact O-CG 3.37Å; D659-K663 WeakPolarHBondContact OD1-CE 3.4Å; D659-K663 IonicContact OD1-NZ 3.61Å; D659-K663 PolarHBondContact OD1-NZ 3.3Å; D659-K663 IonicContact OD2-NZ 2.63Å; D659-K663 PolarHBondContact OD2-NZ 3.04Å
660	G	26.5	Very low	33	Very low	41 Å²	41	82 Å²	82	42%	0.423	48%	0.483	S	S	.	.	H	α-helix	trans	-81.8	-46.6	-172.6	0	0	0	0	0	114.8	I658 K663	I658-G660 VanDerWaalsContact C-N 3.34Å; I658-G660 PolarHBondContact O-N 3.46Å; G660-K663 PolarHBondContact O-N 2.87Å
661	V	29.4	Very low	32.1	Very low	78 Å²	78	83.8 Å²	83.8	47%	0.473	49%	0.494	S	S	.	.	H	α-helix	trans	-80.7	-31.3	-169.3	177.1	0	0	0	0	112.3	M653 K663 V664 G665	M653-V661 HydrophobicContact CE-CG2 3.59Å; V661-K663 PolarHBondContact O-N 2.89Å; V661-V664 PolarHBondContact O-N 3.38Å; V661-G665 PolarHBondContact O-N 3.16Å
662	C	33.2	Very low	31	Very low	35 Å²	35	82.7 Å²	82.7	24%	0.236	49%	0.492	C	S	.	.	H	α-helix	trans	-61.7	-35.1	172.8	-57.6	0	0	0	0	111.5	F352 V664 G665	F352-C662 HydrophobicContact CZ-CB 4.35Å; F352-C662 WeakPolarHBondContact CZ-SG 3.39Å; C662-V664 PolarHBondContact O-N 2.71Å; C662-G665 PolarHBondContact O-N 3.29Å
663	K	29.9	Very low	30.3	Very low	104 Å²	104	86.5 Å²	86.5	45%	0.452	49%	0.493	S	S	.	.	H	α-helix	trans	-70	-29	177.7	-75.2	177.4	179.7	163.7	0	113.8	D659 G660 V661 G667	D659-K663 VanDerWaalsContact CG-NZ 3.32Å; D659-K663 WeakPolarHBondContact O-CD 3.28Å; D659-K663 WeakPolarHBondContact O-CG 3.37Å; D659-K663 WeakPolarHBondContact OD1-CE 3.4Å; D659-K663 IonicContact OD1-NZ 3.61Å; D659-K663 PolarHBondContact OD1-NZ 3.3Å; D659-K663 IonicContact OD2-NZ 2.63Å; D659-K663 PolarHBondContact OD2-NZ 3.04Å; G660-K663 PolarHBondContact O-N 2.87Å; V661-K663 PolarHBondContact O-N 2.89Å; K663-G667 PolarHBondContact O-N 2.88Å
664	V	28.6	Very low	30.1	Very low	100 Å²	100	88 Å²	88	61%	0.606	51%	0.507	S	S	*	.	H	α-helix	trans	-74	-31.6	179.6	179.9	0	0	0	0	111.5	V661 C662	V661-V664 PolarHBondContact O-N 3.38Å; C662-V664 PolarHBondContact O-N 2.71Å
665	G	29.9	Very low	29.9	Very low	33 Å²	33	88.6 Å²	88.6	34%	0.34	51%	0.509	S	S	.	.	H	α-helix	trans	-63.4	-47.2	176.7	0	0	0	0	0	113.3	V661 C662	V661-G665 PolarHBondContact O-N 3.16Å; C662-G665 PolarHBondContact O-N 3.29Å
666	D	30	Very low	29.5	Very low	83 Å²	83	91.4 Å²	91.4	44%	0.444	52%	0.517	S	S	.	.	H	α-helix	trans	-78	-25.8	-175.5	-85.3	-17.2	0	0	0	113.9	N357 L668 G669 K670	N357-D666 PolarHBondContact ND2-OD2 3.21Å; D666-L668 VanDerWaalsContact C-N 3.3Å; D666-L668 PolarHBondContact O-N 2.83Å; D666-G669 PolarHBondContact O-N 2.91Å; D666-K670 PolarHBondContact O-N 3.22Å
667	G	26.5	Very low	29	Very low	48 Å²	48	88.3 Å²	88.3	50%	0.495	51%	0.511	S	S	.	.	H	α-helix	trans	-60.4	-37.1	179.2	0	0	0	0	0	113.3	K663	K663-G667 PolarHBondContact O-N 2.88Å
668	L	26.6	Very low	28.8	Very low	126 Å²	126	88.7 Å²	88.7	66%	0.66	51%	0.512	S	S	*	.	H	α-helix	trans	-90.3	-27	177.8	-86.3	99.9	0	0	0	113.9	D666 K670 V671 T672	D666-L668 VanDerWaalsContact C-N 3.3Å; D666-L668 PolarHBondContact O-N 2.83Å; L668-K670 VanDerWaalsContact C-N 3.27Å; L668-K670 PolarHBondContact O-N 3.34Å; L668-V671 PolarHBondContact O-N 2.78Å; L668-V671 VanDerWaalsContact O-N 3.11Å; L668-T672 PolarHBondContact O-N 2.83Å
669	G	26.7	Very low	28.1	Very low	23 Å²	23	93.1 Å²	93.1	24%	0.237	53%	0.531	C	S	.	.	H	α-helix	trans	-64.6	-28.6	177.1	0	0	0	0	0	113.9	D666 T672 R673	D666-G669 PolarHBondContact O-N 2.91Å; G669-T672 PolarHBondContact O-OG1 3.41Å; G669-T672 VanDerWaalsContact O-OG1 3.09Å; G669-R673 PolarHBondContact O-N 3.35Å
670	K	30.7	Very low	27.8	Very low	129 Å²	129	97.7 Å²	97.7	56%	0.561	55%	0.55	S	S	*	.	H	α-helix	trans	-71.3	-34.4	171.6	-84.8	178.4	176.9	168.3	0	112.6	D666 L668 T674	D666-K670 PolarHBondContact O-N 3.22Å; L668-K670 VanDerWaalsContact C-N 3.27Å; L668-K670 PolarHBondContact O-N 3.34Å; K670-T674 PolarHBondContact O-N 2.51Å; K670-T674 PolarHBondContact O-OG1 3.45Å
671	V	27.6	Very low	27.6	Very low	87 Å²	87	103.2 Å²	103.2	53%	0.527	57%	0.569	S	S	.	*	H	α-helix	trans	-68.3	-38.3	179.3	-179.8	0	0	0	0	110.6	L668 V675	L668-V671 PolarHBondContact O-N 2.78Å; L668-V671 VanDerWaalsContact O-N 3.11Å; V671-V675 HydrophobicContact CG1-CG2 4.17Å; V671-V675 WeakPolarHBondContact O-CB 3.44Å; V671-V675 WeakPolarHBondContact O-CG2 3.38Å; V671-V675 PolarHBondContact O-N 3.02Å
672	T	26.6	Very low	27.4	Very low	77 Å²	77	104.2 Å²	104.2	47%	0.472	58%	0.575	S	S	.	*	H	α-helix	trans	-71.7	-37.2	180	47.7	0	0	0	0	113.5	L668 G669 T674 V675 F676	L668-T672 PolarHBondContact O-N 2.83Å; G669-T672 PolarHBondContact O-OG1 3.41Å; G669-T672 VanDerWaalsContact O-OG1 3.09Å; T672-T674 PolarHBondContact O-N 3.23Å; T672-V675 PolarHBondContact O-N 3.08Å; T672-F676 PolarHBondContact O-N 3.45Å; T672-F676 VanDerWaalsContact O-N 3.08Å
673	R	27.9	Very low	27.1	Very low	170 Å²	170	108 Å²	108	64%	0.642	60%	0.6	S	S	*	*	H	α-helix	trans	-64.5	-37	175.8	-91.4	-171.3	-79.5	-175.8	-8.3	113	G669	G669-R673 PolarHBondContact O-N 3.35Å
674	T	31.7	Very low	27.1	Very low	124 Å²	124	108.1 Å²	108.1	76%	0.761	61%	0.613	S	S	*	*	H	α-helix	trans	-75.3	-33.7	175.8	-49.8	0	0	0	0	112.4	K670 T672	K670-T674 PolarHBondContact O-N 2.51Å; K670-T674 PolarHBondContact O-OG1 3.45Å; T672-T674 PolarHBondContact O-N 3.23Å
675	V	29.2	Very low	27.1	Very low	97 Å²	97	110.8 Å²	110.8	59%	0.588	62%	0.619	S	S	*	*	H	α-helix	trans	-76.8	-31	-176.9	172.3	0	0	0	0	112.9	V671 T672	V671-V675 HydrophobicContact CG1-CG2 4.17Å; V671-V675 WeakPolarHBondContact O-CB 3.44Å; V671-V675 WeakPolarHBondContact O-CG2 3.38Å; V671-V675 PolarHBondContact O-N 3.02Å; T672-V675 PolarHBondContact O-N 3.08Å
676	F	26	Very low	27.1	Very low	153 Å²	153	113.1 Å²	113.1	67%	0.671	63%	0.627	S	S	*	*	H	α-helix	trans	-109.1	5.5	-172.5	-71.2	-73.5	0	0	0	116.4	T672 I678	T672-F676 PolarHBondContact O-N 3.45Å; T672-F676 VanDerWaalsContact O-N 3.08Å; F676-I678 PolarHBondContact O-N 2.74Å
677	G	24.1	Very low	26.9	Very low	65 Å²	65	118.4 Å²	118.4	67%	0.67	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.7	46.7	164.1	0	0	0	0	0	114.9	Q679	G677-Q679 PolarHBondContact O-N 2.81Å
678	I	24.6	Very low	27	Very low	113 Å²	113	123.4 Å²	123.4	58%	0.579	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-77.2	122.7	-178.2	-58.6	171.2	0	0	0	108.9	F676	F676-I678 PolarHBondContact O-N 2.74Å
679	Q	24.6	Very low	27.1	Very low	179 Å²	179	123 Å²	123	84%	0.836	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-97.4	133.4	-176.7	-177.1	130.2	18.9	0	0	111.3	G677	G677-Q679 PolarHBondContact O-N 2.81Å
680	E	23.2	Very low	27.2	Very low	186 Å²	186	125 Å²	125	87%	0.869	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-63.9	136.9	175.5	-70.6	175.3	162	0	0	112.3
681	L	23.7	Very low	27.5	Very low	157 Å²	157	121.2 Å²	121.2	82%	0.822	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-87	144.1	165.9	-79.5	162.9	0	0	0	110.2
682	T	24.4	Very low	28.3	Very low	100 Å²	100	119 Å²	119	61%	0.613	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-76.4	148.5	-174.8	46.2	0	0	0	0	113.2	S684	T682-S684 PolarHBondContact O-N 2.98Å
683	P	27.3	Very low	29.2	Very low	115 Å²	115	115.4 Å²	115.4	75%	0.747	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-68.2	-2.9	-171.5	-17.7	30.9	0	0	0	116.5	Q685 V686	P683-Q685 PolarHBondContact O-N 2.93Å; P683-Q685 VanDerWaalsContact O-N 3.08Å; P683-V686 PolarHBondContact O-N 2.88Å
684	S	29.1	Very low	29.7	Very low	106 Å²	106	108.6 Å²	108.6	74%	0.741	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-75.4	8.2	-172.6	50.1	0	0	0	0	115.3	T682	T682-S684 PolarHBondContact O-N 2.98Å
685	Q	28.3	Very low	30.1	Very low	155 Å²	155	106.3 Å²	106.3	72%	0.724	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-107.2	6.7	175.7	-68.4	-172.4	-33.9	0	0	114.2	P683	P683-Q685 PolarHBondContact O-N 2.93Å; P683-Q685 VanDerWaalsContact O-N 3.08Å
686	V	29.9	Very low	30.6	Very low	83 Å²	83	105 Å²	105	50%	0.503	60%	0.604	S	S	.	*			trans	-100	-8.4	-165.7	-174.5	0	0	0	0	115.1	P683 N688	P683-V686 PolarHBondContact O-N 2.88Å; V686-N688 PolarHBondContact O-N 3.34Å; V686-N688 VanDerWaalsContact O-N 3.16Å
687	E	25.5	Very low	31.4	Very low	194 Å²	194	97.9 Å²	97.9	91%	0.907	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	6.6	-168.9	-81.6	-173	162.3	0	0	117.8
688	N	29	Very low	32.2	Very low	153 Å²	153	102 Å²	102	82%	0.818	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.4	12.4	-172.3	-84.6	-21.9	0	0	0	117.7	V686	V686-N688 PolarHBondContact O-N 3.34Å; V686-N688 VanDerWaalsContact O-N 3.16Å
689	F	29	Very low	33.3	Very low	117 Å²	117	98.1 Å²	98.1	51%	0.513	56%	0.558	S	S	.	*			trans	-106.2	80.7	-179.4	-67.3	-73.5	0	0	0	113
690	G	29.6	Very low	34	Very low	65 Å²	65	97 Å²	97	67%	0.67	55%	0.553	S	S	*	*			trans	-58.8	145.3	168.5	0	0	0	0	0	112.8	R692	G690-R692 PolarHBondContact O-N 2.93Å
691	G	35.6	Very low	35.1	Very low	49 Å²	49	93.1 Å²	93.1	51%	0.505	55%	0.546	S	S	.	.	S	Bend	trans	64.7	-11.2	162	0	0	0	0	0	119.3
692	R	45.4	Very low	36.3	Very low	40 Å²	40	86.9 Å²	86.9	15%	0.151	52%	0.518	C	S	.	.			trans	-80.1	139.9	-170.4	-67.8	-176.8	-170.2	-178.3	-0.7	113.2	G690 A694 A695 R848	G690-R692 PolarHBondContact O-N 2.93Å; R692-A694 VanDerWaalsContact C-N 3.31Å; R692-A694 PolarHBondContact O-N 3.33Å; R692-A695 WeakPolarHBondContact O-CB 3.28Å; R692-A695 PolarHBondContact O-N 3.28Å; R692-R848 VanDerWaalsContact NH1-CZ 3.32Å
693	V	44.6	Very low	37.6	Very low	2 Å²	2	87.6 Å²	87.6	1%	0.012	52%	0.518	C	S	.	.	H	α-helix	trans	-55.4	-43.2	-177.3	-177.1	0	0	0	0	112.1	R108 A695 S696 L697 L712 E716	R108-V693 HydrophobicContact CB-CG2 4.47Å; V693-A695 PolarHBondContact O-N 3.24Å; V693-A695 VanDerWaalsContact O-N 3.17Å; V693-S696 WeakPolarHBondContact O-CA 3.44Å; V693-S696 WeakPolarHBondContact O-CB 3.27Å; V693-S696 PolarHBondContact O-N 2.95Å; V693-S696 PolarHBondContact O-OG 3.45Å; V693-L697 HydrophobicContact CG1-CD1 3.77Å; V693-L697 HydrophobicContact CG1-CG 4.28Å; V693-L697 PolarHBondContact O-N 3.14Å; V693-L712 HydrophobicContact CB-CD1 3.94Å; V693-L712 HydrophobicContact CG1-CD1 3.55Å; V693-E716 WeakPolarHBondContact CG1-OE1 3.37Å; V693-E716 WeakPolarHBondContact CG2-OE1 3.44Å
694	A	39.6	Very low	39.5	Very low	27 Å²	27	83.2 Å²	83.2	22%	0.223	49%	0.49	C	S	.	.	H	α-helix	trans	-57	-33.4	-179.9	0	0	0	0	0	112.5	R692 S696 L697	R692-A694 VanDerWaalsContact C-N 3.31Å; R692-A694 PolarHBondContact O-N 3.33Å; A694-S696 VanDerWaalsContact C-N 3.27Å; A694-S696 PolarHBondContact O-N 2.86Å; A694-L697 CarbonylContact O-C 3.41Å; A694-L697 PolarHBondContact O-N 2.99Å; A694-L697 VanDerWaalsContact O-N 3.11Å
695	A	40.4	Very low	41.6	Very low	76 Å²	76	80.1 Å²	80.1	63%	0.628	46%	0.464	S	S	*	.	H	α-helix	trans	-66.7	-29.7	176.1	0	0	0	0	0	112.7	R692 V693 L697	R692-A695 WeakPolarHBondContact O-CB 3.28Å; R692-A695 PolarHBondContact O-N 3.28Å; V693-A695 PolarHBondContact O-N 3.24Å; V693-A695 VanDerWaalsContact O-N 3.17Å; A695-L697 VanDerWaalsContact C-N 3.28Å
696	S	39.4	Very low	43.9	Very low	70 Å²	70	73 Å²	73	49%	0.49	43%	0.431	S	S	.	.	H	α-helix	trans	-77.7	-13.2	175.1	68.2	0	0	0	0	113.6	V693 A694	V693-S696 WeakPolarHBondContact O-CA 3.44Å; V693-S696 WeakPolarHBondContact O-CB 3.27Å; V693-S696 PolarHBondContact O-N 2.95Å; V693-S696 PolarHBondContact O-OG 3.45Å; A694-S696 VanDerWaalsContact C-N 3.27Å; A694-S696 PolarHBondContact O-N 2.86Å
697	L	42.1	Very low	46	Very low	4 Å²	4	69.6 Å²	69.6	2%	0.021	41%	0.41	C	S	.	.	S	Bend	trans	-122.6	100.9	-176.4	-43.6	176.7	0	0	0	108.6	V693 A694 A695 Y699 L712 D715 Q721 R728	V693-L697 HydrophobicContact CG1-CD1 3.77Å; V693-L697 HydrophobicContact CG1-CG 4.28Å; V693-L697 PolarHBondContact O-N 3.14Å; A694-L697 CarbonylContact O-C 3.41Å; A694-L697 PolarHBondContact O-N 2.99Å; A694-L697 VanDerWaalsContact O-N 3.11Å; A695-L697 VanDerWaalsContact C-N 3.28Å; L697-Y699 HydrophobicContact CB-CD1 4.41Å; L697-Y699 HydrophobicContact CB-CD2 3.51Å; L697-Y699 HydrophobicContact CB-CE1 4.15Å; L697-Y699 HydrophobicContact CB-CE2 3.28Å; L697-Y699 HydrophobicContact CB-CG 4.12Å; L697-Y699 HydrophobicContact CD1-CD2 4.29Å; L697-Y699 HydrophobicContact CD1-CE2 3.5Å; L697-Y699 HydrophobicContact CG-CE2 3.98Å; L697-Y699 PolarHBondContact O-N 3.26Å; L697-L712 HydrophobicContact CD1-CD1 4.09Å; L697-D715 WeakPolarHBondContact CD1-OD2 3.28Å; L697-Q721 VanDerWaalsContact CD2-NE2 3.31Å; L697-R728 VanDerWaalsContact CD2-CZ 3.47Å
698	N	40.2	Very low	48.6	Very low	150 Å²	150	61.8 Å²	61.8	80%	0.802	37%	0.373	S	S	*	.			trans	-64.4	65.8	-175	-160.3	11.5	0	0	0	113.3
699	Y	48	Very low	51.2	Low	32 Å²	32	55.9 Å²	55.9	13%	0.125	34%	0.341	C	S	.	.			trans	-105.2	1.6	-172.7	-61	-31.7	0	0	0	113.1	L697 S701 A702 M711 R728	L697-Y699 HydrophobicContact CB-CD1 4.41Å; L697-Y699 HydrophobicContact CB-CD2 3.51Å; L697-Y699 HydrophobicContact CB-CE1 4.15Å; L697-Y699 HydrophobicContact CB-CE2 3.28Å; L697-Y699 HydrophobicContact CB-CG 4.12Å; L697-Y699 HydrophobicContact CD1-CD2 4.29Å; L697-Y699 HydrophobicContact CD1-CE2 3.5Å; L697-Y699 HydrophobicContact CG-CE2 3.98Å; L697-Y699 PolarHBondContact O-N 3.26Å; Y699-S701 PolarHBondContact O-N 2.87Å; Y699-S701 VanDerWaalsContact O-N 3.11Å; Y699-A702 WeakPolarHBondContact O-CB 3.46Å; Y699-A702 PolarHBondContact O-N 2.83Å; Y699-M711 HydrophobicContact CD1-CE 3.25Å; Y699-M711 HydrophobicContact CD2-CB 4.38Å; Y699-M711 HydrophobicContact CD2-CE 4.1Å; Y699-M711 HydrophobicContact CE1-CE 2.87Å; Y699-M711 HydrophobicContact CE2-CB 3.89Å; Y699-M711 HydrophobicContact CE2-CE 3.74Å; Y699-M711 HydrophobicContact CG-CE 3.87Å; Y699-R728 PolarHBondContact OH-NE 3.5Å; Y699-R728 VanDerWaalsContact OH-NE 3.12Å; Y699-R728 PolarHBondContact OH-NH2 3.31Å
700	E	40.6	Very low	53.7	Low	155 Å²	155	52.6 Å²	52.6	72%	0.724	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.5	178.7	-67.9	-171.6	167.8	0	0	112.5	A702	E700-A702 PolarHBondContact O-N 3.28Å
701	S	45.4	Very low	55.8	Low	105 Å²	105	50 Å²	50	73%	0.734	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-5.1	173	70	0	0	0	0	114.5	Y699 D703	Y699-S701 PolarHBondContact O-N 2.87Å; Y699-S701 VanDerWaalsContact O-N 3.11Å; S701-D703 PolarHBondContact O-N 3.04Å
702	A	48.4	Very low	57.9	Low	26 Å²	26	47.8 Å²	47.8	22%	0.215	28%	0.275	C	S	.	.			trans	-89.3	88.5	174.5	0	0	0	0	0	109.8	Y699 E700 S704 L707	Y699-A702 WeakPolarHBondContact O-CB 3.46Å; Y699-A702 PolarHBondContact O-N 2.83Å; E700-A702 PolarHBondContact O-N 3.28Å; A702-S704 PolarHBondContact O-N 3.28Å; A702-L707 HydrophobicContact CB-CD2 3.99Å
703	D	52.6	Low	59.9	Low	115 Å²	115	47.5 Å²	47.5	62%	0.615	28%	0.277	S	S	*	.			trans	-52.5	-7.8	172	-69.4	-35.9	0	0	0	114.2	S701	S701-D703 PolarHBondContact O-N 3.04Å
704	S	67	Low	61.5	Low	23 Å²	23	47.9 Å²	47.9	16%	0.161	28%	0.279	C	S	.	.			trans	-96.7	105	176.3	62	0	0	0	0	112.6	A702 P706 L707 R708	A702-S704 PolarHBondContact O-N 3.28Å; S704-P706 VanDerWaalsContact C-N 3.31Å; S704-L707 PolarHBondContact O-N 3.47Å; S704-L707 WeakPolarHBondContact OG-CB 3.4Å; S704-R708 PolarHBondContact O-N 3.24Å
705	I	73.1	Confident	63.3	Low	41 Å²	41	46.7 Å²	46.7	21%	0.21	27%	0.269	C	S	.	.	H	α-helix	trans	-39.7	-49.7	167.8	-63.4	169.2	0	0	0	113.2	V92 T96 L707 R708 I709 I751 V752	V92-I705 HydrophobicContact CG1-CD1 4.49Å; T96-I705 HydrophobicContact CG2-CG2 3.95Å; I705-L707 PolarHBondContact O-N 3.38Å; I705-R708 PolarHBondContact O-N 2.79Å; I705-I709 HydrophobicContact CG2-CD1 3.67Å; I705-I709 HydrophobicContact CG2-CG1 4.43Å; I705-I709 WeakPolarHBondContact O-CG1 3.41Å; I705-I709 PolarHBondContact O-N 3.46Å; I705-I709 VanDerWaalsContact O-N 3.12Å; I705-I751 HydrophobicContact CG2-CG2 4.33Å; I705-V752 HydrophobicContact CD1-CG2 4.08Å
706	P	77.1	Confident	65.4	Low	5 Å²	5	43.1 Å²	43.1	3%	0.032	24%	0.239	C	C	.	.	H	α-helix	trans	-63.2	-38	-178.7	-7	12.7	0	0	0	113.6	S704 I709 L710 I739 L747 N748 I751	S704-P706 VanDerWaalsContact C-N 3.31Å; P706-I709 PolarHBondContact O-N 3.12Å; P706-L710 WeakPolarHBondContact O-CB 3.49Å; P706-L710 VanDerWaalsContact O-CG 3.29Å; P706-L710 WeakPolarHBondContact O-CG 3.41Å; P706-L710 PolarHBondContact O-N 2.78Å; P706-I739 HydrophobicContact CB-CD1 4.03Å; P706-I739 HydrophobicContact CB-CG1 4.42Å; P706-L747 HydrophobicContact CB-CD2 3.62Å; P706-L747 HydrophobicContact CB-CG 4.37Å; P706-L747 HydrophobicContact CG-CB 4.4Å; P706-L747 HydrophobicContact CG-CD2 3.59Å; P706-L747 HydrophobicContact CG-CG 3.9Å; P706-N748 WeakPolarHBondContact CD-OD1 3.36Å; P706-N748 WeakPolarHBondContact CG-OD1 3.46Å; P706-I751 HydrophobicContact CB-CD1 3.91Å; P706-I751 HydrophobicContact CG-CD1 3.65Å
707	L	74	Confident	67.7	Low	12 Å²	12	41.3 Å²	41.3	6%	0.063	22%	0.224	C	C	.	.	H	α-helix	trans	-66.2	-44.4	-178.1	-174.9	60.4	0	0	0	110	A702 S704 I705 L710 M711 L735 Q736 I739	A702-L707 HydrophobicContact CB-CD2 3.99Å; S704-L707 PolarHBondContact O-N 3.47Å; S704-L707 WeakPolarHBondContact OG-CB 3.4Å; I705-L707 PolarHBondContact O-N 3.38Å; L707-L710 PolarHBondContact O-N 3.42Å; L707-M711 HydrophobicContact CD1-CG 3.95Å; L707-M711 HydrophobicContact CD1-SD 3.42Å; L707-M711 WeakPolarHBondContact CD1-SD 3.38Å; L707-M711 HydrophobicContact CD2-SD 4.09Å; L707-M711 HydrophobicContact CG-CG 4.28Å; L707-M711 HydrophobicContact CG-SD 3.45Å; L707-M711 WeakPolarHBondContact CG-SD 3.5Å; L707-M711 WeakPolarHBondContact O-CB 3.48Å; L707-M711 WeakPolarHBondContact O-CG 3.42Å; L707-M711 PolarHBondContact O-N 3.07Å; L707-L735 HydrophobicContact CD1-CB 3.9Å; L707-Q736 HydrophobicContact CD1-CG 3.81Å; L707-Q736 HydrophobicContact CD2-CG 3.62Å; L707-Q736 HydrophobicContact CG-CG 4.41Å; L707-I739 HydrophobicContact CB-CD1 3.34Å; L707-I739 HydrophobicContact CD1-CD1 3.72Å; L707-I739 HydrophobicContact CG-CD1 4.08Å; L707-I739 VanDerWaalsContact N-CD1 3.26Å
708	R	80.1	Confident	69.4	Low	31 Å²	31	42.7 Å²	42.7	12%	0.117	23%	0.23	C	C	.	.	H	α-helix	trans	-58.2	-50.5	176.3	-166.6	-163.9	82.4	85.7	15	111.1	T96 H97 D101 S704 I705 M711 L712	T96-R708 PolarHBondContact O-NH2 3.23Å; H97-R708 VanDerWaalsContact CA-NH2 3.29Å; H97-R708 PolarHBondContact CD2-NH1 3.13Å; H97-R708 PolarHBondContact O-NH2 3.16Å; H97-R708 VanDerWaalsContact O-NH2 3.17Å; D101-R708 IonicContact OD1-CZ 3.84Å; D101-R708 IonicContact OD1-NH1 3.99Å; D101-R708 PolarHBondContact OD1-NH1 3.36Å; D101-R708 IonicContact OD1-NH2 2.84Å; D101-R708 PolarHBondContact OD1-NH2 3.05Å; D101-R708 IonicContact OD2-NH1 2.76Å; S704-R708 PolarHBondContact O-N 3.24Å; I705-R708 PolarHBondContact O-N 2.79Å; R708-M711 PolarHBondContact O-N 3.47Å; R708-L712 WeakPolarHBondContact O-CB 3.48Å; R708-L712 PolarHBondContact O-N 2.99Å
709	I	84.1	Confident	70.8	Confident	29 Å²	29	37.1 Å²	37.1	15%	0.149	21%	0.208	C	C	.	.	H	α-helix	trans	-60	-51.3	179.7	-65.8	170.5	0	0	0	110.5	I100 I705 P706 M711 L712 L713	I100-I709 HydrophobicContact CD1-CG2 4.49Å; I100-I709 HydrophobicContact CG1-CD1 4.46Å; I100-I709 HydrophobicContact CG1-CG1 4.26Å; I100-I709 HydrophobicContact CG2-CG1 4.24Å; I100-I709 HydrophobicContact CG2-CG2 4.21Å; I705-I709 HydrophobicContact CG2-CD1 3.67Å; I705-I709 HydrophobicContact CG2-CG1 4.43Å; I705-I709 WeakPolarHBondContact O-CG1 3.41Å; I705-I709 PolarHBondContact O-N 3.46Å; I705-I709 VanDerWaalsContact O-N 3.12Å; P706-I709 PolarHBondContact O-N 3.12Å; I709-M711 VanDerWaalsContact C-N 3.34Å; I709-M711 PolarHBondContact O-N 3.08Å; I709-L712 PolarHBondContact O-N 2.93Å; I709-L713 HydrophobicContact CG2-CD1 3.8Å; I709-L713 HydrophobicContact CG2-CG 4.42Å; I709-L713 WeakPolarHBondContact O-CB 3.39Å; I709-L713 WeakPolarHBondContact O-CG 3.44Å; I709-L713 PolarHBondContact O-N 2.8Å
710	L	79.9	Confident	71.5	Confident	47 Å²	47	36.6 Å²	36.6	25%	0.246	21%	0.207	C	C	.	.	H	α-helix	trans	-62.1	-42.7	-179.6	-72	172.5	0	0	0	111.1	P706 L707 L713 V714 L735 L738 I739	P706-L710 WeakPolarHBondContact O-CB 3.49Å; P706-L710 VanDerWaalsContact O-CG 3.29Å; P706-L710 WeakPolarHBondContact O-CG 3.41Å; P706-L710 PolarHBondContact O-N 2.78Å; L707-L710 PolarHBondContact O-N 3.42Å; L710-L713 PolarHBondContact O-N 2.93Å; L710-V714 WeakPolarHBondContact O-CB 3.32Å; L710-V714 WeakPolarHBondContact O-CG2 3.46Å; L710-V714 PolarHBondContact O-N 3.12Å; L710-L735 HydrophobicContact CB-CD1 4.13Å; L710-L735 HydrophobicContact CB-CD2 4.2Å; L710-L735 HydrophobicContact CD1-CD2 4.18Å; L710-L738 HydrophobicContact CD1-CD2 4.31Å; L710-I739 HydrophobicContact CD1-CD1 4.32Å
711	M	74	Confident	72.2	Confident	11 Å²	11	31.7 Å²	31.7	5%	0.054	18%	0.184	C	C	.	.	H	α-helix	trans	-68.4	-40.8	-179.3	-74.7	176.3	47	0	0	112.7	Y699 L707 R708 I709 D715 V732 L735	Y699-M711 HydrophobicContact CD1-CE 3.25Å; Y699-M711 HydrophobicContact CD2-CB 4.38Å; Y699-M711 HydrophobicContact CD2-CE 4.1Å; Y699-M711 HydrophobicContact CE1-CE 2.87Å; Y699-M711 HydrophobicContact CE2-CB 3.89Å; Y699-M711 HydrophobicContact CE2-CE 3.74Å; Y699-M711 HydrophobicContact CG-CE 3.87Å; L707-M711 HydrophobicContact CD1-CG 3.95Å; L707-M711 HydrophobicContact CD1-SD 3.42Å; L707-M711 WeakPolarHBondContact CD1-SD 3.38Å; L707-M711 HydrophobicContact CD2-SD 4.09Å; L707-M711 HydrophobicContact CG-CG 4.28Å; L707-M711 HydrophobicContact CG-SD 3.45Å; L707-M711 WeakPolarHBondContact CG-SD 3.5Å; L707-M711 WeakPolarHBondContact O-CB 3.48Å; L707-M711 WeakPolarHBondContact O-CG 3.42Å; L707-M711 PolarHBondContact O-N 3.07Å; R708-M711 PolarHBondContact O-N 3.47Å; I709-M711 VanDerWaalsContact C-N 3.34Å; I709-M711 PolarHBondContact O-N 3.08Å; M711-D715 VanDerWaalsContact O-CB 3.27Å; M711-D715 WeakPolarHBondContact O-CB 3.31Å; M711-D715 PolarHBondContact O-N 2.73Å; M711-V732 HydrophobicContact CE-CB 4.27Å; M711-V732 HydrophobicContact CE-CG1 3.9Å; M711-V732 HydrophobicContact CE-CG2 3.36Å; M711-V732 HydrophobicContact CG-CG2 4.16Å; M711-V732 HydrophobicContact SD-CB 4.24Å; M711-V732 HydrophobicContact SD-CG1 3.76Å; M711-V732 HydrophobicContact SD-CG2 3.77Å; M711-L735 HydrophobicContact CG-CD1 3.86Å
712	L	81	Confident	72.5	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-64.4	-46.4	176.1	-171.7	69.9	0	0	0	110.9	I100 D101 A104 V693 L697 R708 I709 E716	I100-L712 HydrophobicContact CG2-CD2 3.93Å; D101-L712 VanDerWaalsContact OD1-CD2 3.3Å; D101-L712 WeakPolarHBondContact OD1-CD2 3.31Å; A104-L712 HydrophobicContact CB-CD1 4.16Å; A104-L712 HydrophobicContact CB-CD2 3.47Å; A104-L712 VanDerWaalsContact CB-CD2 3.47Å; A104-L712 HydrophobicContact CB-CG 3.56Å; V693-L712 HydrophobicContact CB-CD1 3.94Å; V693-L712 HydrophobicContact CG1-CD1 3.55Å; L697-L712 HydrophobicContact CD1-CD1 4.09Å; R708-L712 WeakPolarHBondContact O-CB 3.48Å; R708-L712 PolarHBondContact O-N 2.99Å; I709-L712 PolarHBondContact O-N 2.93Å; L712-E716 WeakPolarHBondContact O-CG 3.49Å; L712-E716 PolarHBondContact O-N 2.82Å
713	L	85.9	Confident	72.5	Confident	35 Å²	35	38.7 Å²	38.7	18%	0.183	20%	0.201	C	C	.	.	H	α-helix	trans	-74	-37.5	-178.2	-66.1	180	0	0	0	112.8	I100 F103 I709 L710 E716 I717	I100-L713 HydrophobicContact CG2-CD2 4.49Å; I100-L713 HydrophobicContact CG2-CG 4.44Å; F103-L713 HydrophobicContact CD1-CD2 3.92Å; F103-L713 HydrophobicContact CE1-CD2 4.4Å; I709-L713 HydrophobicContact CG2-CD1 3.8Å; I709-L713 HydrophobicContact CG2-CG 4.42Å; I709-L713 WeakPolarHBondContact O-CB 3.39Å; I709-L713 WeakPolarHBondContact O-CG 3.44Å; I709-L713 PolarHBondContact O-N 2.8Å; L710-L713 PolarHBondContact O-N 2.93Å; L713-E716 PolarHBondContact O-N 2.74Å; L713-I717 HydrophobicContact CB-CD1 4.08Å; L713-I717 WeakPolarHBondContact O-CB 3.33Å; L713-I717 WeakPolarHBondContact O-CD1 3.16Å; L713-I717 WeakPolarHBondContact O-CG1 3.49Å; L713-I717 PolarHBondContact O-N 3.43Å
714	V	79.6	Confident	72.6	Confident	10 Å²	10	34.3 Å²	34.3	6%	0.061	18%	0.177	C	C	.	.	H	α-helix	trans	-66	-41.1	178.6	163.1	0	0	0	0	110.8	L710 E716 F718 L720 M731 L735 F812	L710-V714 WeakPolarHBondContact O-CB 3.32Å; L710-V714 WeakPolarHBondContact O-CG2 3.46Å; L710-V714 PolarHBondContact O-N 3.12Å; V714-E716 VanDerWaalsContact C-N 3.34Å; V714-E716 PolarHBondContact O-N 3.12Å; V714-F718 HydrophobicContact CB-CD2 4.2Å; V714-F718 HydrophobicContact CB-CE2 4.49Å; V714-F718 HydrophobicContact CG1-CD2 3.92Å; V714-F718 HydrophobicContact CG1-CE2 4.48Å; V714-F718 HydrophobicContact CG2-CD2 4.32Å; V714-F718 HydrophobicContact CG2-CE2 4.12Å; V714-F718 WeakPolarHBondContact O-CD2 3.39Å; V714-F718 PolarHBondContact O-N 2.87Å; V714-L720 HydrophobicContact CG1-CD1 3.73Å; V714-M731 HydrophobicContact CG1-SD 3.49Å; V714-M731 WeakPolarHBondContact CG1-SD 3.22Å; V714-L735 HydrophobicContact CB-CD1 4.4Å; V714-L735 HydrophobicContact CG1-CD1 4.48Å; V714-L735 HydrophobicContact CG2-CD1 4.19Å; V714-F812 HydrophobicContact CG2-CZ 4.29Å
715	D	76.6	Confident	72.2	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.011	19%	0.192	C	C	.	.	H	α-helix	trans	-63.1	-42.6	177.9	-161.8	29.1	0	0	0	111.2	L697 M711 G719 L720 Q721 R728	L697-D715 WeakPolarHBondContact CD1-OD2 3.28Å; M711-D715 VanDerWaalsContact O-CB 3.27Å; M711-D715 WeakPolarHBondContact O-CB 3.31Å; M711-D715 PolarHBondContact O-N 2.73Å; D715-G719 WeakPolarHBondContact O-CA 3.28Å; D715-G719 PolarHBondContact O-N 3.27Å; D715-G719 VanDerWaalsContact O-N 3.12Å; D715-L720 PolarHBondContact O-N 3Å; D715-L720 WeakPolarHBondContact OD1-CB 3.33Å; D715-Q721 WeakPolarHBondContact OD1-CG 3.46Å; D715-Q721 VanDerWaalsContact OD2-CG 3.27Å; D715-Q721 WeakPolarHBondContact OD2-CG 3.42Å; D715-Q721 PolarHBondContact OD2-NE2 3.34Å; D715-R728 IonicContact OD2-CZ 2.65Å; D715-R728 IonicContact OD2-NE 3.88Å
716	E	84.8	Confident	71.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-78.1	-36.8	177.9	-62.2	-62.5	168.6	0	0	112.9	A104 R108 R111 V693 L712 L713 V714 M827	A104-E716 HydrophobicContact CB-CG 4.17Å; R108-E716 VanDerWaalsContact CB-OE2 3.28Å; R108-E716 WeakPolarHBondContact CB-OE2 3.38Å; R111-E716 IonicContact CZ-OE2 3.34Å; R111-E716 PolarHBondContact NE-O 2.96Å; R111-E716 IonicContact NH1-OE2 2.66Å; R111-E716 PolarHBondContact NH1-OE2 3Å; R111-E716 VanDerWaalsContact NH2-C 3.25Å; R111-E716 VanDerWaalsContact NH2-CA 3.27Å; R111-E716 PolarHBondContact NH2-O 2.88Å; R111-E716 IonicContact NH2-OE2 3.77Å; R111-E716 PolarHBondContact NH2-OE2 3.33Å; V693-E716 WeakPolarHBondContact CG1-OE1 3.37Å; V693-E716 WeakPolarHBondContact CG2-OE1 3.44Å; L712-E716 WeakPolarHBondContact O-CG 3.49Å; L712-E716 PolarHBondContact O-N 2.82Å; L713-E716 PolarHBondContact O-N 2.74Å; V714-E716 VanDerWaalsContact C-N 3.34Å; V714-E716 PolarHBondContact O-N 3.12Å; E716-M827 WeakPolarHBondContact O-CE 3.19Å
717	I	86.4	Confident	70.7	Confident	32 Å²	32	38 Å²	38	16%	0.164	19%	0.189	C	C	.	.	H	α-helix	trans	-75.5	-39.5	-176.3	-67.2	171.2	0	0	0	110.9	L107 L713 G824 V828	L107-I717 HydrophobicContact CD1-CG1 3.92Å; L713-I717 HydrophobicContact CB-CD1 4.08Å; L713-I717 WeakPolarHBondContact O-CB 3.33Å; L713-I717 WeakPolarHBondContact O-CD1 3.16Å; L713-I717 WeakPolarHBondContact O-CG1 3.49Å; L713-I717 PolarHBondContact O-N 3.43Å; I717-G824 WeakPolarHBondContact O-CA 3.48Å; I717-V828 HydrophobicContact CB-CG2 4.39Å; I717-V828 HydrophobicContact CD1-CG2 4.06Å; I717-V828 HydrophobicContact CG1-CG2 3.67Å; I717-V828 HydrophobicContact CG2-CG2 4.01Å
718	F	78.9	Confident	70.3	Confident	33 Å²	33	39.3 Å²	39.3	15%	0.145	19%	0.194	C	C	.	.	H	α-helix	trans	-106.1	1.9	-173.2	-52.1	-67.6	0	0	0	114	V714 L720 F812 I816 T821	V714-F718 HydrophobicContact CB-CD2 4.2Å; V714-F718 HydrophobicContact CB-CE2 4.49Å; V714-F718 HydrophobicContact CG1-CD2 3.92Å; V714-F718 HydrophobicContact CG1-CE2 4.48Å; V714-F718 HydrophobicContact CG2-CD2 4.32Å; V714-F718 HydrophobicContact CG2-CE2 4.12Å; V714-F718 WeakPolarHBondContact O-CD2 3.39Å; V714-F718 PolarHBondContact O-N 2.87Å; F718-L720 HydrophobicContact CB-CD2 4.26Å; F718-L720 HydrophobicContact CB-CG 4.49Å; F718-F812 HydrophobicContact CE2-CE1 4.1Å; F718-F812 HydrophobicContact CE2-CZ 4.46Å; F718-F812 HydrophobicContact CZ-CE1 4.13Å; F718-I816 HydrophobicContact CD1-CD1 4.43Å; F718-I816 HydrophobicContact CD1-CG2 3.98Å; F718-I816 HydrophobicContact CD2-CD1 3.75Å; F718-I816 HydrophobicContact CE1-CD1 4.28Å; F718-I816 HydrophobicContact CE1-CG2 4.39Å; F718-I816 HydrophobicContact CE2-CD1 3.55Å; F718-I816 HydrophobicContact CG-CD1 4.18Å; F718-I816 HydrophobicContact CG-CG2 4.17Å; F718-I816 HydrophobicContact CZ-CD1 3.83Å; F718-T821 HydrophobicContact CE1-CG2 4.32Å
719	G	68.6	Low	69.6	Low	33 Å²	33	43.4 Å²	43.4	34%	0.34	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	39.3	168.3	0	0	0	0	0	115.2	D715 Q721	D715-G719 WeakPolarHBondContact O-CA 3.28Å; D715-G719 PolarHBondContact O-N 3.27Å; D715-G719 VanDerWaalsContact O-N 3.12Å; G719-Q721 VanDerWaalsContact C-N 3.27Å; G719-Q721 PolarHBondContact O-N 3.48Å
720	L	63.1	Low	68.7	Low	21 Å²	21	45.3 Å²	45.3	11%	0.11	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-8.8	-170.5	-51.2	175.8	0	0	0	114.8	V714 D715 F718 I727 R728 M731	V714-L720 HydrophobicContact CG1-CD1 3.73Å; D715-L720 PolarHBondContact O-N 3Å; D715-L720 WeakPolarHBondContact OD1-CB 3.33Å; F718-L720 HydrophobicContact CB-CD2 4.26Å; F718-L720 HydrophobicContact CB-CG 4.49Å; L720-I727 HydrophobicContact CD2-CG2 3.96Å; L720-R728 HydrophobicContact CB-CB 4.24Å; L720-M731 HydrophobicContact CD1-CB 4.2Å; L720-M731 HydrophobicContact CD1-CE 4.04Å; L720-M731 HydrophobicContact CD1-CG 3.88Å; L720-M731 HydrophobicContact CD1-SD 3.36Å; L720-M731 WeakPolarHBondContact CD1-SD 3.45Å; L720-M731 HydrophobicContact CD2-CE 3.63Å; L720-M731 HydrophobicContact CD2-SD 4.14Å; L720-M731 HydrophobicContact CG-CE 4.47Å; L720-M731 HydrophobicContact CG-SD 4.36Å
721	Q	55.7	Low	68.1	Low	52 Å²	52	43.3 Å²	43.3	24%	0.243	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-36.5	-173.5	-67.2	-157	-15.1	0	0	114.6	L697 D715 G719	L697-Q721 VanDerWaalsContact CD2-NE2 3.31Å; D715-Q721 WeakPolarHBondContact OD1-CG 3.46Å; D715-Q721 VanDerWaalsContact OD2-CG 3.27Å; D715-Q721 WeakPolarHBondContact OD2-CG 3.42Å; D715-Q721 PolarHBondContact OD2-NE2 3.34Å; G719-Q721 VanDerWaalsContact C-N 3.27Å; G719-Q721 PolarHBondContact O-N 3.48Å
722	E	51.8	Low	67.8	Low	129 Å²	129	44.1 Å²	44.1	60%	0.603	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-21.8	-159.3	-72.6	-166.9	153.2	0	0	115.3	Q115	Q115-E722 PolarHBondContact NE2-OE2 3.04Å
723	Q	49	Very low	67.1	Low	150 Å²	150	44.5 Å²	44.5	70%	0.701	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.3	-28.6	-173.4	-63.8	-164.7	-0.4	0	0	116.3
724	N	54.1	Low	66.4	Low	23 Å²	23	43 Å²	43	12%	0.123	20%	0.204	C	C	.	.			trans	-146.2	90	-170.8	-67.8	-51.6	0	0	0	113.5	W726 I727 R728	N724-W726 PolarHBondContact O-N 3.42Å; N724-W726 VanDerWaalsContact O-N 3.12Å; N724-I727 HydrophobicContact CB-CB 3.84Å; N724-I727 HydrophobicContact CB-CD1 3.46Å; N724-I727 VanDerWaalsContact CB-CD1 3.46Å; N724-I727 HydrophobicContact CB-CG1 3.53Å; N724-I727 WeakPolarHBondContact ND2-CD1 3.37Å; N724-I727 WeakPolarHBondContact O-CB 3.45Å; N724-I727 PolarHBondContact O-N 3.44Å; N724-R728 PolarHBondContact O-N 2.63Å
725	Q	58.7	Low	66.1	Low	102 Å²	102	42.8 Å²	42.8	48%	0.477	20%	0.202	S	C	.	.	H	α-helix	trans	-53.5	-32.4	173.6	-70.6	-67.1	-36.3	0	0	113.1	R729	Q725-R729 WeakPolarHBondContact O-CG 3.39Å; Q725-R729 PolarHBondContact O-N 2.85Å; Q725-R729 VanDerWaalsContact O-N 3.08Å
726	W	58.4	Low	65.7	Low	34 Å²	34	46.4 Å²	46.4	13%	0.129	22%	0.219	C	C	.	.	H	α-helix	trans	-61.6	-43.9	173.5	177.3	97	0	0	0	112.3	L325 L345 N724 R728 R729 R730	L325-W726 HydrophobicContact CD2-CD2 4.24Å; L325-W726 HydrophobicContact CD2-CE3 3.45Å; L325-W726 VanDerWaalsContact CD2-CE3 3.45Å; L325-W726 HydrophobicContact CD2-CH2 3.28Å; L325-W726 HydrophobicContact CD2-CZ2 4.05Å; L325-W726 HydrophobicContact CD2-CZ3 2.98Å; L325-W726 HydrophobicContact CG-CZ3 4.39Å; L345-W726 HydrophobicContact CB-CB 4.01Å; L345-W726 HydrophobicContact CB-CD2 4.48Å; L345-W726 HydrophobicContact CB-CG 3.83Å; L345-W726 HydrophobicContact CD1-CD2 4.49Å; L345-W726 HydrophobicContact CD1-CG 4.48Å; L345-W726 HydrophobicContact CD2-CD2 3.73Å; L345-W726 HydrophobicContact CD2-CE3 4.32Å; L345-W726 HydrophobicContact CD2-CG 3.96Å; L345-W726 HydrophobicContact CD2-CZ2 3.99Å; L345-W726 HydrophobicContact CG-CD2 4.45Å; L345-W726 HydrophobicContact CG-CG 4.29Å; L345-W726 VanDerWaalsContact O-CD1 3.23Å; N724-W726 PolarHBondContact O-N 3.42Å; N724-W726 VanDerWaalsContact O-N 3.12Å; W726-R728 PolarHBondContact O-N 3.25Å; W726-R729 WeakPolarHBondContact O-CB 3.35Å; W726-R729 PolarHBondContact O-N 3.38Å; W726-R729 VanDerWaalsContact O-N 3.16Å; W726-R730 HydrophobicContact CH2-CB 4.41Å; W726-R730 HydrophobicContact CH2-CG 4.3Å; W726-R730 HydrophobicContact CZ3-CB 4.3Å; W726-R730 PolarHBondContact O-N 2.86Å
727	I	60	Low	64.9	Low	10 Å²	10	49.1 Å²	49.1	5%	0.051	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-47.8	179.7	-70.8	-179.1	0	0	0	109.8	H322 C326 L720 N724 R729 R730 M731	H322-I727 WeakPolarHBondContact CE1-CG2 3.2Å; C326-I727 VanDerWaalsContact SG-CD1 3.56Å; L720-I727 HydrophobicContact CD2-CG2 3.96Å; N724-I727 HydrophobicContact CB-CB 3.84Å; N724-I727 HydrophobicContact CB-CD1 3.46Å; N724-I727 VanDerWaalsContact CB-CD1 3.46Å; N724-I727 HydrophobicContact CB-CG1 3.53Å; N724-I727 WeakPolarHBondContact ND2-CD1 3.37Å; N724-I727 WeakPolarHBondContact O-CB 3.45Å; N724-I727 PolarHBondContact O-N 3.44Å; I727-R729 VanDerWaalsContact C-N 3.3Å; I727-R729 PolarHBondContact O-N 3.16Å; I727-R730 PolarHBondContact O-N 3.32Å; I727-R730 VanDerWaalsContact O-N 3.17Å; I727-M731 HydrophobicContact CG2-CE 4.47Å; I727-M731 HydrophobicContact CG2-CG 4.49Å; I727-M731 WeakPolarHBondContact O-CG 3.45Å; I727-M731 PolarHBondContact O-N 3.03Å
728	R	65.2	Low	64.1	Low	39 Å²	39	47.8 Å²	47.8	15%	0.147	23%	0.225	C	C	.	.	H	α-helix	trans	-55.4	-46.1	175.8	-177.6	175.8	160.2	-162.3	-8.1	110.9	L697 Y699 D715 L720 N724 W726 R730 M731 V732	L697-R728 VanDerWaalsContact CD2-CZ 3.47Å; Y699-R728 PolarHBondContact OH-NE 3.5Å; Y699-R728 VanDerWaalsContact OH-NE 3.12Å; Y699-R728 PolarHBondContact OH-NH2 3.31Å; D715-R728 IonicContact OD2-CZ 2.65Å; D715-R728 IonicContact OD2-NE 3.88Å; L720-R728 HydrophobicContact CB-CB 4.24Å; N724-R728 PolarHBondContact O-N 2.63Å; W726-R728 PolarHBondContact O-N 3.25Å; R728-R730 PolarHBondContact O-N 2.62Å; R728-M731 PolarHBondContact O-N 3.09Å; R728-V732 WeakPolarHBondContact O-CG2 3.33Å; R728-V732 PolarHBondContact O-N 3.46Å
729	R	65.2	Low	63.5	Low	118 Å²	118	46.5 Å²	46.5	45%	0.445	22%	0.22	S	C	.	.	H	α-helix	trans	-62.9	-40.5	177.1	-70.5	174.5	-171.4	-163.4	6.5	112.9	A349 Q725 W726 I727 V732 S733	A349-R729 PolarHBondContact O-NH1 3.07Å; Q725-R729 WeakPolarHBondContact O-CG 3.39Å; Q725-R729 PolarHBondContact O-N 2.85Å; Q725-R729 VanDerWaalsContact O-N 3.08Å; W726-R729 WeakPolarHBondContact O-CB 3.35Å; W726-R729 PolarHBondContact O-N 3.38Å; W726-R729 VanDerWaalsContact O-N 3.16Å; I727-R729 VanDerWaalsContact C-N 3.3Å; I727-R729 PolarHBondContact O-N 3.16Å; R729-V732 WeakPolarHBondContact O-CB 3.4Å; R729-V732 PolarHBondContact O-N 3.28Å; R729-S733 PolarHBondContact O-N 3.22Å
730	R	65.8	Low	63.3	Low	68 Å²	68	50.8 Å²	50.8	26%	0.257	23%	0.231	S	C	.	.	H	α-helix	trans	-65	-42.2	176.4	-172.9	63.7	170.3	-178.6	-3.5	111.5	W726 I727 R728 V732 S733 F734 F815	W726-R730 HydrophobicContact CH2-CB 4.41Å; W726-R730 HydrophobicContact CH2-CG 4.3Å; W726-R730 HydrophobicContact CZ3-CB 4.3Å; W726-R730 PolarHBondContact O-N 2.86Å; I727-R730 PolarHBondContact O-N 3.32Å; I727-R730 VanDerWaalsContact O-N 3.17Å; R728-R730 PolarHBondContact O-N 2.62Å; R730-V732 VanDerWaalsContact C-N 3.34Å; R730-V732 PolarHBondContact O-N 2.88Å; R730-S733 PolarHBondContact O-N 3.46Å; R730-F734 WeakPolarHBondContact O-CB 3.13Å; R730-F734 PolarHBondContact O-N 3.06Å; R730-F815 HydrophobicContact CG-CZ 4.39Å
731	M	68.4	Low	63.2	Low	6 Å²	6	51.7 Å²	51.7	3%	0.03	24%	0.241	C	C	.	.	H	α-helix	trans	-60.1	-43.4	172.2	-69.9	-136.3	-176.9	0	0	111.5	V714 L720 I727 R728 S733 F734 L735 F815 I816	V714-M731 HydrophobicContact CG1-SD 3.49Å; V714-M731 WeakPolarHBondContact CG1-SD 3.22Å; L720-M731 HydrophobicContact CD1-CB 4.2Å; L720-M731 HydrophobicContact CD1-CE 4.04Å; L720-M731 HydrophobicContact CD1-CG 3.88Å; L720-M731 HydrophobicContact CD1-SD 3.36Å; L720-M731 WeakPolarHBondContact CD1-SD 3.45Å; L720-M731 HydrophobicContact CD2-CE 3.63Å; L720-M731 HydrophobicContact CD2-SD 4.14Å; L720-M731 HydrophobicContact CG-CE 4.47Å; L720-M731 HydrophobicContact CG-SD 4.36Å; I727-M731 HydrophobicContact CG2-CE 4.47Å; I727-M731 HydrophobicContact CG2-CG 4.49Å; I727-M731 WeakPolarHBondContact O-CG 3.45Å; I727-M731 PolarHBondContact O-N 3.03Å; R728-M731 PolarHBondContact O-N 3.09Å; M731-S733 PolarHBondContact O-N 2.88Å; M731-F734 PolarHBondContact O-N 3.5Å; M731-L735 WeakPolarHBondContact O-CB 2.95Å; M731-L735 VanDerWaalsContact O-CG 3.23Å; M731-L735 WeakPolarHBondContact O-CG 3.43Å; M731-L735 PolarHBondContact O-N 3.48Å; M731-F815 HydrophobicContact CG-CE1 4.08Å; M731-I816 HydrophobicContact CE-CB 4.35Å; M731-I816 HydrophobicContact CE-CD1 4.22Å; M731-I816 HydrophobicContact CE-CG1 3.77Å; M731-I816 HydrophobicContact CE-CG2 4.22Å; M731-I816 HydrophobicContact SD-CD1 4.43Å; M731-I816 HydrophobicContact SD-CG1 4.4Å
732	V	67.7	Low	63.6	Low	27 Å²	27	50 Å²	50	16%	0.164	23%	0.234	C	C	.	.	H	α-helix	trans	-58.3	-46.9	174.3	171.7	0	0	0	0	111.3	M711 R728 R729 R730 F734 L735 Q736	M711-V732 HydrophobicContact CE-CB 4.27Å; M711-V732 HydrophobicContact CE-CG1 3.9Å; M711-V732 HydrophobicContact CE-CG2 3.36Å; M711-V732 HydrophobicContact CG-CG2 4.16Å; M711-V732 HydrophobicContact SD-CB 4.24Å; M711-V732 HydrophobicContact SD-CG1 3.76Å; M711-V732 HydrophobicContact SD-CG2 3.77Å; R728-V732 WeakPolarHBondContact O-CG2 3.33Å; R728-V732 PolarHBondContact O-N 3.46Å; R729-V732 WeakPolarHBondContact O-CB 3.4Å; R729-V732 PolarHBondContact O-N 3.28Å; R730-V732 VanDerWaalsContact C-N 3.34Å; R730-V732 PolarHBondContact O-N 2.88Å; V732-F734 PolarHBondContact O-N 2.82Å; V732-L735 PolarHBondContact O-N 2.85Å; V732-Q736 HydrophobicContact CG1-CG 4.32Å; V732-Q736 WeakPolarHBondContact O-CB 3.22Å; V732-Q736 VanDerWaalsContact O-CG 3.24Å; V732-Q736 WeakPolarHBondContact O-CG 3.45Å; V732-Q736 PolarHBondContact O-N 3.36Å
733	S	65.8	Low	63.9	Low	10 Å²	10	52.6 Å²	52.6	7%	0.07	24%	0.239	C	C	.	.	H	α-helix	trans	-61.5	-42.9	176.9	-172.7	0	0	0	0	112	R729 R730 M731 Q736 Q737	R729-S733 PolarHBondContact O-N 3.22Å; R730-S733 PolarHBondContact O-N 3.46Å; M731-S733 PolarHBondContact O-N 2.88Å; S733-Q736 PolarHBondContact O-N 2.88Å; S733-Q737 WeakPolarHBondContact O-CB 3.29Å; S733-Q737 VanDerWaalsContact O-CG 3.26Å; S733-Q737 WeakPolarHBondContact O-CG 3.48Å; S733-Q737 PolarHBondContact O-N 3.27Å; S733-Q737 PolarHBondContact OG-NE2 3.43Å
734	F	70.8	Confident	64.4	Low	5 Å²	5	46.2 Å²	46.2	2%	0.022	21%	0.213	C	C	.	.	H	α-helix	trans	-61.9	-47.3	175.6	173.3	-94.4	0	0	0	112	V646 R730 M731 V732 Q736 Q737 L738 F812 F815	V646-F734 HydrophobicContact CB-CE2 4.17Å; V646-F734 HydrophobicContact CG1-CD2 3.67Å; V646-F734 HydrophobicContact CG1-CE2 3.48Å; V646-F734 VanDerWaalsContact CG1-CE2 3.48Å; V646-F734 HydrophobicContact CG1-CZ 4.37Å; R730-F734 WeakPolarHBondContact O-CB 3.13Å; R730-F734 PolarHBondContact O-N 3.06Å; M731-F734 PolarHBondContact O-N 3.5Å; V732-F734 PolarHBondContact O-N 2.82Å; F734-Q736 VanDerWaalsContact C-N 3.33Å; F734-Q736 PolarHBondContact O-N 2.9Å; F734-Q737 PolarHBondContact O-N 2.64Å; F734-L738 HydrophobicContact CE1-CD1 4.12Å; F734-L738 HydrophobicContact CZ-CD1 4.43Å; F734-L738 WeakPolarHBondContact O-CB 3.34Å; F734-L738 PolarHBondContact O-N 2.98Å; F734-F812 AromaticContact CE1-CD2 3.83Å; F734-F812 HydrophobicContact CE1-CD2 3.83Å; F734-F812 AromaticContact CE1-CE2 3.91Å; F734-F812 HydrophobicContact CE1-CE2 3.91Å; F734-F812 HydrophobicContact CZ-CD2 4.36Å; F734-F815 HydrophobicContact CB-CE1 3.86Å; F734-F815 HydrophobicContact CB-CE2 4.02Å; F734-F815 HydrophobicContact CB-CZ 3.46Å; F734-F815 VanDerWaalsContact CB-CZ 3.46Å; F734-F815 AromaticContact CD1-CD1 4Å; F734-F815 HydrophobicContact CD1-CD1 4Å; F734-F815 AromaticContact CD1-CE1 3.84Å; F734-F815 HydrophobicContact CD1-CE1 3.84Å; F734-F815 HydrophobicContact CD1-CG 4.49Å; F734-F815 HydrophobicContact CD1-CZ 4.2Å; F734-F815 HydrophobicContact CD2-CD1 4.42Å; F734-F815 AromaticContact CD2-CD2 3.84Å; F734-F815 HydrophobicContact CD2-CD2 3.84Å; F734-F815 HydrophobicContact CD2-CE1 4.28Å; F734-F815 AromaticContact CD2-CE2 3.68Å; F734-F815 HydrophobicContact CD2-CE2 3.68Å; F734-F815 HydrophobicContact CD2-CG 4.21Å; F734-F815 AromaticContact CD2-CZ 3.92Å; F734-F815 HydrophobicContact CD2-CZ 3.92Å; F734-F815 HydrophobicContact CE1-CD1 4.19Å; F734-F815 HydrophobicContact CE1-CE1 4.49Å; F734-F815 HydrophobicContact CE1-CG 4.44Å; F734-F815 AromaticContact CE2-CD2 4Å; F734-F815 HydrophobicContact CE2-CD2 4Å; F734-F815 HydrophobicContact CE2-CE2 4.31Å; F734-F815 HydrophobicContact CE2-CG 4.14Å; F734-F815 HydrophobicContact CG-CD1 4.13Å; F734-F815 HydrophobicContact CG-CD2 4.27Å; F734-F815 AromaticContact CG-CE1 3.72Å; F734-F815 HydrophobicContact CG-CE1 3.72Å; F734-F815 AromaticContact CG-CE2 3.88Å; F734-F815 HydrophobicContact CG-CE2 3.88Å; F734-F815 HydrophobicContact CG-CG 4.38Å; F734-F815 AromaticContact CG-CZ 3.59Å; F734-F815 HydrophobicContact CG-CZ 3.59Å; F734-F815 HydrophobicContact CZ-CD1 4.47Å; F734-F815 HydrophobicContact CZ-CG 4.26Å
735	L	72.6	Confident	64.6	Low	4 Å²	4	49.9 Å²	49.9	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-64.8	-37.8	177.9	-68.2	174.1	0	0	0	111.7	L707 L710 M711 V714 M731 V732 L738 I739 F812	L707-L735 HydrophobicContact CD1-CB 3.9Å; L710-L735 HydrophobicContact CB-CD1 4.13Å; L710-L735 HydrophobicContact CB-CD2 4.2Å; L710-L735 HydrophobicContact CD1-CD2 4.18Å; M711-L735 HydrophobicContact CG-CD1 3.86Å; V714-L735 HydrophobicContact CB-CD1 4.4Å; V714-L735 HydrophobicContact CG1-CD1 4.48Å; V714-L735 HydrophobicContact CG2-CD1 4.19Å; M731-L735 WeakPolarHBondContact O-CB 2.95Å; M731-L735 VanDerWaalsContact O-CG 3.23Å; M731-L735 WeakPolarHBondContact O-CG 3.43Å; M731-L735 PolarHBondContact O-N 3.48Å; V732-L735 PolarHBondContact O-N 2.85Å; L735-L738 WeakPolarHBondContact O-CB 3.5Å; L735-L738 PolarHBondContact O-N 3.27Å; L735-I739 VanDerWaalsContact O-CG1 3.32Å; L735-I739 WeakPolarHBondContact O-CG1 3.03Å; L735-I739 PolarHBondContact O-N 3Å; L735-F812 HydrophobicContact CD2-CE2 4.35Å
736	Q	69.4	Low	65	Low	78 Å²	78	46.8 Å²	46.8	36%	0.364	23%	0.231	S	C	.	.	H	α-helix	trans	-61	-51.3	171.5	-77.5	173.7	-11.3	0	0	110.4	L707 V732 S733 F734 L738 I739 H740	L707-Q736 HydrophobicContact CD1-CG 3.81Å; L707-Q736 HydrophobicContact CD2-CG 3.62Å; L707-Q736 HydrophobicContact CG-CG 4.41Å; V732-Q736 HydrophobicContact CG1-CG 4.32Å; V732-Q736 WeakPolarHBondContact O-CB 3.22Å; V732-Q736 VanDerWaalsContact O-CG 3.24Å; V732-Q736 WeakPolarHBondContact O-CG 3.45Å; V732-Q736 PolarHBondContact O-N 3.36Å; S733-Q736 PolarHBondContact O-N 2.88Å; F734-Q736 VanDerWaalsContact C-N 3.33Å; F734-Q736 PolarHBondContact O-N 2.9Å; Q736-L738 VanDerWaalsContact C-N 3.26Å; Q736-L738 PolarHBondContact O-N 3.27Å; Q736-I739 PolarHBondContact O-N 3.11Å; Q736-I739 VanDerWaalsContact O-N 3.17Å; Q736-H740 PolarHBondContact O-N 2.77Å; Q736-H740 PolarHBondContact O-ND1 3.3Å
737	Q	68.1	Low	65.5	Low	58 Å²	58	45.5 Å²	45.5	27%	0.271	23%	0.226	S	C	.	.	H	α-helix	trans	-58.6	-39.5	177.8	-72.7	174.7	40.5	0	0	111.9	V646 S733 F734 H740 A741	V646-Q737 HydrophobicContact CG1-CB 4.3Å; S733-Q737 WeakPolarHBondContact O-CB 3.29Å; S733-Q737 VanDerWaalsContact O-CG 3.26Å; S733-Q737 WeakPolarHBondContact O-CG 3.48Å; S733-Q737 PolarHBondContact O-N 3.27Å; S733-Q737 PolarHBondContact OG-NE2 3.43Å; F734-Q737 PolarHBondContact O-N 2.64Å; Q737-H740 PolarHBondContact O-N 3.48Å; Q737-A741 VanDerWaalsContact O-CB 3.29Å; Q737-A741 WeakPolarHBondContact O-CB 3.3Å; Q737-A741 PolarHBondContact O-N 3.09Å
738	L	68.5	Low	66.2	Low	3 Å²	3	46.8 Å²	46.8	2%	0.016	23%	0.233	C	C	.	.	H	α-helix	trans	-60.3	-48.7	174.4	178.6	151	0	0	0	111.7	V643 V646 L710 F734 L735 Q736 H740 A741 M742	V643-L738 HydrophobicContact CB-CD1 4.16Å; V643-L738 HydrophobicContact CG2-CD1 3.28Å; V643-L738 HydrophobicContact CG2-CG 4.46Å; V646-L738 HydrophobicContact CG2-CB 4.45Å; L710-L738 HydrophobicContact CD1-CD2 4.31Å; F734-L738 HydrophobicContact CE1-CD1 4.12Å; F734-L738 HydrophobicContact CZ-CD1 4.43Å; F734-L738 WeakPolarHBondContact O-CB 3.34Å; F734-L738 PolarHBondContact O-N 2.98Å; L735-L738 WeakPolarHBondContact O-CB 3.5Å; L735-L738 PolarHBondContact O-N 3.27Å; Q736-L738 VanDerWaalsContact C-N 3.26Å; Q736-L738 PolarHBondContact O-N 3.27Å; L738-H740 VanDerWaalsContact C-N 3.32Å; L738-H740 PolarHBondContact O-N 2.84Å; L738-A741 PolarHBondContact O-N 2.76Å; L738-M742 HydrophobicContact CD2-SD 3.4Å; L738-M742 WeakPolarHBondContact CD2-SD 3.5Å; L738-M742 HydrophobicContact CG-SD 4.08Å; L738-M742 WeakPolarHBondContact O-CB 3.37Å; L738-M742 WeakPolarHBondContact O-CG 3.5Å; L738-M742 PolarHBondContact O-N 2.83Å
739	I	67.6	Low	66.7	Low	7 Å²	7	52.2 Å²	52.2	4%	0.036	25%	0.254	C	S	.	.	H	α-helix	trans	-65.8	-36.8	178.6	-69.6	169.7	0	0	0	111.3	P706 L707 L710 L735 Q736 M742 Y743 G744	P706-I739 HydrophobicContact CB-CD1 4.03Å; P706-I739 HydrophobicContact CB-CG1 4.42Å; L707-I739 HydrophobicContact CB-CD1 3.34Å; L707-I739 HydrophobicContact CD1-CD1 3.72Å; L707-I739 HydrophobicContact CG-CD1 4.08Å; L707-I739 VanDerWaalsContact N-CD1 3.26Å; L710-I739 HydrophobicContact CD1-CD1 4.32Å; L735-I739 VanDerWaalsContact O-CG1 3.32Å; L735-I739 WeakPolarHBondContact O-CG1 3.03Å; L735-I739 PolarHBondContact O-N 3Å; Q736-I739 PolarHBondContact O-N 3.11Å; Q736-I739 VanDerWaalsContact O-N 3.17Å; I739-M742 PolarHBondContact O-N 3.04Å; I739-Y743 PolarHBondContact O-N 2.83Å; I739-G744 WeakPolarHBondContact O-CA 3.23Å; I739-G744 PolarHBondContact O-N 2.86Å
740	H	63.5	Low	67.1	Low	123 Å²	123	49.8 Å²	49.8	57%	0.569	25%	0.246	S	C	*	.	H	α-helix	trans	-65.5	-47.4	174.5	-75	89.8	0	0	0	111.9	Q736 Q737 L738 M742 Y743	Q736-H740 PolarHBondContact O-N 2.77Å; Q736-H740 PolarHBondContact O-ND1 3.3Å; Q737-H740 PolarHBondContact O-N 3.48Å; L738-H740 VanDerWaalsContact C-N 3.32Å; L738-H740 PolarHBondContact O-N 2.84Å; H740-M742 PolarHBondContact O-N 3.36Å; H740-Y743 PolarHBondContact O-N 2.96Å
741	A	61.3	Low	67.8	Low	39 Å²	39	47.8 Å²	47.8	32%	0.322	24%	0.241	S	C	.	.	H	α-helix	trans	-59.8	-26.7	176.3	0	0	0	0	0	112.3	F645 V646 Q737 L738 Y743	F645-A741 HydrophobicContact CD1-CB 3.98Å; F645-A741 HydrophobicContact CE1-CB 4.43Å; V646-A741 HydrophobicContact CG2-CB 3.83Å; Q737-A741 VanDerWaalsContact O-CB 3.29Å; Q737-A741 WeakPolarHBondContact O-CB 3.3Å; Q737-A741 PolarHBondContact O-N 3.09Å; L738-A741 PolarHBondContact O-N 2.76Å; A741-Y743 VanDerWaalsContact C-N 3.33Å
742	M	63.1	Low	68.6	Low	18 Å²	18	49.3 Å²	49.3	9%	0.089	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	6.5	176.2	-68.9	174.7	64.8	0	0	114.8	P638 I639 L738 I739 H740 L747	P638-M742 HydrophobicContact CB-CE 3.94Å; I639-M742 VanDerWaalsContact CA-CE 3.47Å; I639-M742 HydrophobicContact CB-CE 4.05Å; I639-M742 HydrophobicContact CB-SD 4.44Å; I639-M742 HydrophobicContact CG1-CE 3.44Å; I639-M742 VanDerWaalsContact CG1-CE 3.44Å; I639-M742 HydrophobicContact CG1-SD 4.24Å; L738-M742 HydrophobicContact CD2-SD 3.4Å; L738-M742 WeakPolarHBondContact CD2-SD 3.5Å; L738-M742 HydrophobicContact CG-SD 4.08Å; L738-M742 WeakPolarHBondContact O-CB 3.37Å; L738-M742 WeakPolarHBondContact O-CG 3.5Å; L738-M742 PolarHBondContact O-N 2.83Å; I739-M742 PolarHBondContact O-N 3.04Å; H740-M742 PolarHBondContact O-N 3.36Å; M742-L747 HydrophobicContact CE-CD1 3.63Å; M742-L747 HydrophobicContact CE-CD2 3.48Å; M742-L747 VanDerWaalsContact CE-CD2 3.48Å; M742-L747 HydrophobicContact CE-CG 4.06Å; M742-L747 HydrophobicContact SD-CD2 4.24Å
743	Y	59.9	Low	69.3	Low	182 Å²	182	52.4 Å²	52.4	71%	0.714	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	67.6	-170.2	-56.1	-87.8	0	0	0	111.4	I739 H740 A741 S745 S746	I739-Y743 PolarHBondContact O-N 2.83Å; H740-Y743 PolarHBondContact O-N 2.96Å; A741-Y743 VanDerWaalsContact C-N 3.33Å; Y743-S745 PolarHBondContact O-N 3.42Å; Y743-S746 WeakPolarHBondContact O-CA 3.43Å; Y743-S746 WeakPolarHBondContact O-CB 3.39Å; Y743-S746 PolarHBondContact O-N 3.14Å
744	G	58.3	Low	70.2	Confident	16 Å²	16	53.9 Å²	53.9	17%	0.165	27%	0.267	C	S	.	.	H	α-helix	trans	-39.4	-37.4	-169.6	0	0	0	0	0	117.3	I739 S746 L747 N748	I739-G744 WeakPolarHBondContact O-CA 3.23Å; I739-G744 PolarHBondContact O-N 2.86Å; G744-S746 VanDerWaalsContact C-N 3.33Å; G744-S746 PolarHBondContact O-N 3Å; G744-L747 PolarHBondContact O-N 2.83Å; G744-L747 VanDerWaalsContact O-N 3.11Å; G744-N748 PolarHBondContact O-N 3.27Å; G744-N748 PolarHBondContact O-OD1 3.5Å
745	S	59.1	Low	71	Confident	100 Å²	100	54 Å²	54	70%	0.699	27%	0.268	S	S	*	.	H	α-helix	trans	-61.3	-37	174.3	57.9	0	0	0	0	113.6	Y743 R749	Y743-S745 PolarHBondContact O-N 3.42Å; S745-R749 WeakPolarHBondContact O-CB 3.44Å; S745-R749 PolarHBondContact O-N 3.16Å; S745-R749 VanDerWaalsContact O-N 3.11Å
746	S	65.7	Low	71.7	Confident	38 Å²	38	59 Å²	59	27%	0.266	29%	0.291	S	S	.	.	H	α-helix	trans	-68.4	-35.1	173.1	-172.8	0	0	0	0	112	Y743 G744 K750	Y743-S746 WeakPolarHBondContact O-CA 3.43Å; Y743-S746 WeakPolarHBondContact O-CB 3.39Å; Y743-S746 PolarHBondContact O-N 3.14Å; G744-S746 VanDerWaalsContact C-N 3.33Å; G744-S746 PolarHBondContact O-N 3Å; S746-K750 WeakPolarHBondContact O-CB 3.36Å; S746-K750 VanDerWaalsContact O-CG 3.27Å; S746-K750 WeakPolarHBondContact O-CG 3.36Å; S746-K750 PolarHBondContact O-N 2.9Å
747	L	70.3	Confident	72.4	Confident	6 Å²	6	55.8 Å²	55.8	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-72.9	-45.4	178.1	-173.7	65.8	0	0	0	111.2	P706 M742 G744 R749 K750 I751	P706-L747 HydrophobicContact CB-CD2 3.62Å; P706-L747 HydrophobicContact CB-CG 4.37Å; P706-L747 HydrophobicContact CG-CB 4.4Å; P706-L747 HydrophobicContact CG-CD2 3.59Å; P706-L747 HydrophobicContact CG-CG 3.9Å; M742-L747 HydrophobicContact CE-CD1 3.63Å; M742-L747 HydrophobicContact CE-CD2 3.48Å; M742-L747 VanDerWaalsContact CE-CD2 3.48Å; M742-L747 HydrophobicContact CE-CG 4.06Å; M742-L747 HydrophobicContact SD-CD2 4.24Å; G744-L747 PolarHBondContact O-N 2.83Å; G744-L747 VanDerWaalsContact O-N 3.11Å; L747-R749 VanDerWaalsContact C-N 3.26Å; L747-R749 PolarHBondContact O-N 3.45Å; L747-K750 PolarHBondContact O-N 3.21Å; L747-K750 VanDerWaalsContact O-N 3.11Å; L747-I751 HydrophobicContact CG-CD1 4.23Å; L747-I751 HydrophobicContact CG-CG1 4.5Å; L747-I751 WeakPolarHBondContact O-CG1 3.21Å; L747-I751 PolarHBondContact O-N 2.98Å
748	N	75	Confident	73.2	Confident	37 Å²	37	54.8 Å²	54.8	20%	0.198	27%	0.272	C	S	.	.	H	α-helix	trans	-51.8	-49.8	172.5	-73.7	15.3	0	0	0	110.2	P706 G744 K750 I751 V752	P706-N748 WeakPolarHBondContact CD-OD1 3.36Å; P706-N748 WeakPolarHBondContact CG-OD1 3.46Å; G744-N748 PolarHBondContact O-N 3.27Å; G744-N748 PolarHBondContact O-OD1 3.5Å; N748-K750 PolarHBondContact O-N 3.49Å; N748-I751 PolarHBondContact O-N 2.92Å; N748-V752 WeakPolarHBondContact O-CG2 3.43Å; N748-V752 PolarHBondContact O-N 2.98Å
749	R	73.7	Confident	74.1	Confident	154 Å²	154	56.3 Å²	56.3	58%	0.581	28%	0.281	S	S	*	.	H	α-helix	trans	-60.2	-44.4	178.5	-164.4	-179.2	69.6	-153	-4.9	111.9	S745 L747 I751 V752 E753	S745-R749 WeakPolarHBondContact O-CB 3.44Å; S745-R749 PolarHBondContact O-N 3.16Å; S745-R749 VanDerWaalsContact O-N 3.11Å; L747-R749 VanDerWaalsContact C-N 3.26Å; L747-R749 PolarHBondContact O-N 3.45Å; R749-I751 PolarHBondContact O-N 3.49Å; R749-V752 PolarHBondContact O-N 3.45Å; R749-E753 WeakPolarHBondContact CD-OE1 3.19Å; R749-E753 HydrophobicContact CG-CG 4.29Å; R749-E753 VanDerWaalsContact CG-OE1 3.27Å; R749-E753 WeakPolarHBondContact CG-OE1 3.3Å; R749-E753 IonicContact NE-OE1 3.87Å; R749-E753 PolarHBondContact NE-OE1 3.14Å; R749-E753 WeakPolarHBondContact O-CB 3.47Å; R749-E753 VanDerWaalsContact O-CG 3.23Å; R749-E753 WeakPolarHBondContact O-CG 3.49Å; R749-E753 PolarHBondContact O-N 3.24Å
750	K	75.1	Confident	74.9	Confident	67 Å²	67	57.3 Å²	57.3	29%	0.291	29%	0.289	S	S	.	.	H	α-helix	trans	-63.2	-39.7	177.2	-78.2	178	177.5	-171.4	0	113.5	S746 L747 N748 Y754	S746-K750 WeakPolarHBondContact O-CB 3.36Å; S746-K750 VanDerWaalsContact O-CG 3.27Å; S746-K750 WeakPolarHBondContact O-CG 3.36Å; S746-K750 PolarHBondContact O-N 2.9Å; L747-K750 PolarHBondContact O-N 3.21Å; L747-K750 VanDerWaalsContact O-N 3.11Å; N748-K750 PolarHBondContact O-N 3.49Å; K750-Y754 VanDerWaalsContact O-CB 3.26Å; K750-Y754 WeakPolarHBondContact O-CB 3.39Å; K750-Y754 PolarHBondContact O-N 3Å
751	I	80.9	Confident	75.8	Confident	26 Å²	26	55.5 Å²	55.5	13%	0.133	28%	0.281	C	S	.	.	H	α-helix	trans	-63.6	-46.2	176.1	-67.7	174.9	0	0	0	109.5	T96 I705 P706 L747 N748 R749 Y754 V755	T96-I751 HydrophobicContact CG2-CG2 3.9Å; I705-I751 HydrophobicContact CG2-CG2 4.33Å; P706-I751 HydrophobicContact CB-CD1 3.91Å; P706-I751 HydrophobicContact CG-CD1 3.65Å; L747-I751 HydrophobicContact CG-CD1 4.23Å; L747-I751 HydrophobicContact CG-CG1 4.5Å; L747-I751 WeakPolarHBondContact O-CG1 3.21Å; L747-I751 PolarHBondContact O-N 2.98Å; N748-I751 PolarHBondContact O-N 2.92Å; R749-I751 PolarHBondContact O-N 3.49Å; I751-Y754 PolarHBondContact O-N 3.17Å; I751-V755 WeakPolarHBondContact O-CG2 3.49Å; I751-V755 PolarHBondContact O-N 3.47Å
752	V	83.7	Confident	76.7	Confident	37 Å²	37	57 Å²	57	22%	0.224	28%	0.281	C	S	.	.	H	α-helix	trans	-64.9	-44.3	178.4	172.9	0	0	0	0	111.5	V92 I705 N748 R749 Y754 V755 H756	V92-V752 HydrophobicContact CG1-CG2 4.01Å; V92-V752 HydrophobicContact CG2-CG1 4.06Å; I705-V752 HydrophobicContact CD1-CG2 4.08Å; N748-V752 WeakPolarHBondContact O-CG2 3.43Å; N748-V752 PolarHBondContact O-N 2.98Å; R749-V752 PolarHBondContact O-N 3.45Å; V752-Y754 VanDerWaalsContact C-N 3.29Å; V752-Y754 PolarHBondContact O-N 2.66Å; V752-V755 PolarHBondContact O-N 3.37Å; V752-H756 WeakPolarHBondContact CG1-NE2 3.49Å; V752-H756 PolarHBondContact O-CD2 2.94Å; V752-H756 PolarHBondContact O-N 3.46Å
753	E	82.6	Confident	77.5	Confident	92 Å²	92	57.2 Å²	57.2	43%	0.43	28%	0.282	S	S	.	.	H	α-helix	trans	-57.9	-41.3	172.9	-75.8	167.4	-172.9	0	0	111.2	R749 H756 W757	R749-E753 WeakPolarHBondContact CD-OE1 3.19Å; R749-E753 HydrophobicContact CG-CG 4.29Å; R749-E753 VanDerWaalsContact CG-OE1 3.27Å; R749-E753 WeakPolarHBondContact CG-OE1 3.3Å; R749-E753 IonicContact NE-OE1 3.87Å; R749-E753 PolarHBondContact NE-OE1 3.14Å; R749-E753 WeakPolarHBondContact O-CB 3.47Å; R749-E753 VanDerWaalsContact O-CG 3.23Å; R749-E753 WeakPolarHBondContact O-CG 3.49Å; R749-E753 PolarHBondContact O-N 3.24Å; E753-H756 PolarHBondContact O-N 2.78Å; E753-W757 PolarHBondContact O-N 2.81Å
754	Y	84.2	Confident	78.7	Confident	42 Å²	42	51.2 Å²	51.2	17%	0.165	26%	0.264	C	S	.	.	H	α-helix	trans	-67.4	-42.2	177	-175	-116.2	0	0	0	112.2	L628 K631 V635 K750 I751 V752 W757 L758	L628-Y754 WeakPolarHBondContact CD1-OH 3.5Å; K631-Y754 HydrophobicContact CB-CD2 3.98Å; K631-Y754 HydrophobicContact CB-CE2 3.66Å; V635-Y754 HydrophobicContact CG2-CG 4.2Å; K750-Y754 VanDerWaalsContact O-CB 3.26Å; K750-Y754 WeakPolarHBondContact O-CB 3.39Å; K750-Y754 PolarHBondContact O-N 3Å; I751-Y754 PolarHBondContact O-N 3.17Å; V752-Y754 VanDerWaalsContact C-N 3.29Å; V752-Y754 PolarHBondContact O-N 2.66Å; Y754-W757 AromaticContact CD2-CE3 4Å; Y754-W757 HydrophobicContact CD2-CE3 4Å; Y754-W757 HydrophobicContact CD2-CZ3 4.45Å; Y754-W757 AromaticContact CE2-CE3 3.74Å; Y754-W757 HydrophobicContact CE2-CE3 3.74Å; Y754-W757 AromaticContact CE2-CZ3 3.73Å; Y754-W757 HydrophobicContact CE2-CZ3 3.73Å; Y754-W757 PolarHBondContact O-N 2.75Å; Y754-L758 HydrophobicContact CD1-CD1 3.89Å; Y754-L758 HydrophobicContact CD1-CG 4.36Å; Y754-L758 HydrophobicContact CE1-CD1 3.57Å; Y754-L758 HydrophobicContact CE1-CD2 4.42Å; Y754-L758 HydrophobicContact CE1-CG 4.06Å; Y754-L758 HydrophobicContact CE2-CD2 4.48Å; Y754-L758 HydrophobicContact CE2-CG 4.41Å; Y754-L758 WeakPolarHBondContact O-CG 3.47Å; Y754-L758 PolarHBondContact O-N 3.45Å
755	V	87.9	Confident	79.7	Confident	6 Å²	6	51.9 Å²	51.9	4%	0.036	26%	0.263	C	S	.	.	H	α-helix	trans	-60.6	-48.2	173.3	167.7	0	0	0	0	110.7	W91 V92 L95 T96 I751 V752 W757 L758 T759	W91-V755 HydrophobicContact CB-CG1 4.14Å; V92-V755 HydrophobicContact CG2-CG1 4.01Å; L95-V755 HydrophobicContact CB-CG2 4.26Å; L95-V755 HydrophobicContact CD1-CG1 3.98Å; L95-V755 HydrophobicContact CD1-CG2 4.47Å; T96-V755 HydrophobicContact CG2-CG2 4.01Å; I751-V755 WeakPolarHBondContact O-CG2 3.49Å; I751-V755 PolarHBondContact O-N 3.47Å; V752-V755 PolarHBondContact O-N 3.37Å; V755-W757 PolarHBondContact O-N 3.21Å; V755-L758 PolarHBondContact O-N 3.08Å; V755-L758 VanDerWaalsContact O-N 3.16Å; V755-T759 PolarHBondContact O-N 2.91Å; V755-T759 PolarHBondContact O-OG1 3.26Å; V755-T759 VanDerWaalsContact O-OG1 3.14Å
756	H	87.1	Confident	80.7	Confident	109 Å²	109	49.6 Å²	49.6	51%	0.505	24%	0.243	S	C	.	.	H	α-helix	trans	-59.1	-36.1	176.6	-75.2	-48.9	0	0	0	112.6	V752 E753 T759 S760	V752-H756 WeakPolarHBondContact CG1-NE2 3.49Å; V752-H756 PolarHBondContact O-CD2 2.94Å; V752-H756 PolarHBondContact O-N 3.46Å; E753-H756 PolarHBondContact O-N 2.78Å; H756-T759 CarbonylContact O-C 3.54Å; H756-S760 WeakPolarHBondContact O-CA 3.4Å; H756-S760 WeakPolarHBondContact O-CB 3.15Å; H756-S760 PolarHBondContact O-N 3.27Å
757	W	84.8	Confident	81.6	Confident	12 Å²	12	52.5 Å²	52.5	5%	0.045	25%	0.249	C	C	.	.	H	α-helix	trans	-68.7	-47.8	173.5	174.3	72	0	0	0	112.4	L628 K631 E753 Y754 V755 T759 S760 Q763	L628-W757 HydrophobicContact CB-CH2 4.31Å; L628-W757 HydrophobicContact CD1-CH2 3.85Å; L628-W757 HydrophobicContact CD1-CZ3 3.69Å; K631-W757 HydrophobicContact CB-CZ3 4.42Å; K631-W757 HydrophobicContact CD-CD2 3.34Å; K631-W757 HydrophobicContact CD-CE3 3.66Å; K631-W757 HydrophobicContact CD-CG 3.79Å; K631-W757 HydrophobicContact CD-CH2 4.04Å; K631-W757 HydrophobicContact CD-CZ2 3.73Å; K631-W757 HydrophobicContact CD-CZ3 4.01Å; E753-W757 PolarHBondContact O-N 2.81Å; Y754-W757 AromaticContact CD2-CE3 4Å; Y754-W757 HydrophobicContact CD2-CE3 4Å; Y754-W757 HydrophobicContact CD2-CZ3 4.45Å; Y754-W757 AromaticContact CE2-CE3 3.74Å; Y754-W757 HydrophobicContact CE2-CE3 3.74Å; Y754-W757 AromaticContact CE2-CZ3 3.73Å; Y754-W757 HydrophobicContact CE2-CZ3 3.73Å; Y754-W757 PolarHBondContact O-N 2.75Å; V755-W757 PolarHBondContact O-N 3.21Å; W757-T759 PolarHBondContact O-N 2.67Å; W757-T759 VanDerWaalsContact O-N 3.17Å; W757-S760 VanDerWaalsContact O-CB 3.23Å; W757-S760 WeakPolarHBondContact O-CB 3.25Å; W757-S760 PolarHBondContact O-N 3.48Å; W757-S760 PolarHBondContact O-OG 2.94Å; W757-Q763 HydrophobicContact CD2-CG 3.95Å; W757-Q763 VanDerWaalsContact CE2-CD 3.43Å; W757-Q763 HydrophobicContact CE3-CG 4.45Å; W757-Q763 HydrophobicContact CG-CG 4.39Å; W757-Q763 HydrophobicContact CH2-CG 4.36Å; W757-Q763 HydrophobicContact CZ2-CG 3.87Å; W757-Q763 VanDerWaalsContact CZ2-NE2 3.27Å; W757-Q763 WeakPolarHBondContact O-CG 3.43Å
758	L	85.4	Confident	82.3	Confident	36 Å²	36	54 Å²	54	19%	0.188	26%	0.258	C	S	.	.	H	α-helix	trans	-54.4	-35.7	176.8	-75.6	174.3	0	0	0	111.6	L628 Y754 V755 Q763 Y767	L628-L758 HydrophobicContact CD1-CD2 4.14Å; Y754-L758 HydrophobicContact CD1-CD1 3.89Å; Y754-L758 HydrophobicContact CD1-CG 4.36Å; Y754-L758 HydrophobicContact CE1-CD1 3.57Å; Y754-L758 HydrophobicContact CE1-CD2 4.42Å; Y754-L758 HydrophobicContact CE1-CG 4.06Å; Y754-L758 HydrophobicContact CE2-CD2 4.48Å; Y754-L758 HydrophobicContact CE2-CG 4.41Å; Y754-L758 WeakPolarHBondContact O-CG 3.47Å; Y754-L758 PolarHBondContact O-N 3.45Å; V755-L758 PolarHBondContact O-N 3.08Å; V755-L758 VanDerWaalsContact O-N 3.16Å; L758-Q763 WeakPolarHBondContact O-CB 3.49Å; L758-Y767 WeakPolarHBondContact O-CE2 3.31Å; L758-Y767 PolarHBondContact O-OH 2.96Å
759	T	87.1	Confident	82.7	Confident	35 Å²	35	56 Å²	56	22%	0.215	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	13.3	-178.8	69.6	0	0	0	0	113.3	W91 L95 V755 H756 W757	W91-T759 HydrophobicContact CB-CG2 3.65Å; W91-T759 HydrophobicContact CD2-CG2 3.66Å; W91-T759 HydrophobicContact CE3-CG2 4Å; W91-T759 HydrophobicContact CG-CG2 3.5Å; L95-T759 HydrophobicContact CD1-CG2 3.97Å; V755-T759 PolarHBondContact O-N 2.91Å; V755-T759 PolarHBondContact O-OG1 3.26Å; V755-T759 VanDerWaalsContact O-OG1 3.14Å; H756-T759 CarbonylContact O-C 3.54Å; W757-T759 PolarHBondContact O-N 2.67Å; W757-T759 VanDerWaalsContact O-N 3.17Å
760	S	84.3	Confident	83	Confident	28 Å²	28	54.2 Å²	54.2	20%	0.196	27%	0.267	C	S	.	.	S	Bend	trans	-70.4	155.5	176.2	67.9	0	0	0	0	111.1	H756 W757 E762 Q763 V764	H756-S760 WeakPolarHBondContact O-CA 3.4Å; H756-S760 WeakPolarHBondContact O-CB 3.15Å; H756-S760 PolarHBondContact O-N 3.27Å; W757-S760 VanDerWaalsContact O-CB 3.23Å; W757-S760 WeakPolarHBondContact O-CB 3.25Å; W757-S760 PolarHBondContact O-N 3.48Å; W757-S760 PolarHBondContact O-OG 2.94Å; S760-E762 PolarHBondContact O-N 3.44Å; S760-Q763 PolarHBondContact O-N 3.31Å; S760-Q763 VanDerWaalsContact O-N 3.14Å; S760-Q763 WeakPolarHBondContact OG-CG 3.38Å; S760-Q763 PolarHBondContact OG-N 3.14Å; S760-V764 WeakPolarHBondContact O-CG2 3.5Å; S760-V764 PolarHBondContact O-N 3.07Å
761	E	81.5	Confident	83.5	Confident	86 Å²	86	53.9 Å²	53.9	40%	0.402	27%	0.266	S	S	.	.	H	α-helix	trans	-57.6	-37.5	-179.8	-169	170.8	155.3	0	0	112.6	L38 V764 I765	L38-E761 HydrophobicContact CD1-CG 3.58Å; L38-E761 HydrophobicContact CD2-CG 4.33Å; L38-E761 HydrophobicContact CG-CG 4.44Å; E761-V764 PolarHBondContact O-N 3Å; E761-I765 HydrophobicContact CG-CD1 4.19Å; E761-I765 WeakPolarHBondContact O-CB 3.29Å; E761-I765 VanDerWaalsContact O-CG1 3.25Å; E761-I765 WeakPolarHBondContact O-CG1 3.38Å; E761-I765 PolarHBondContact O-N 2.61Å
762	E	80.3	Confident	83.7	Confident	69 Å²	69	55.1 Å²	55.1	32%	0.322	27%	0.268	S	S	.	.	H	α-helix	trans	-64.1	-43.3	177.3	-174.6	173.8	-160.4	0	0	112.2	N622 S760 I765 N766	N622-E762 PolarHBondContact ND2-OE1 3.03Å; S760-E762 PolarHBondContact O-N 3.44Å; E762-I765 PolarHBondContact O-N 3.41Å; E762-N766 PolarHBondContact O-N 2.92Å; E762-N766 VanDerWaalsContact O-N 3.09Å; E762-N766 PolarHBondContact O-ND2 3.36Å
763	Q	81.4	Confident	83.7	Confident	23 Å²	23	57 Å²	57	11%	0.107	28%	0.278	C	S	.	.	H	α-helix	trans	-68.4	-42.5	177.3	-69.3	-48.6	-61	0	0	111.7	W757 L758 S760 I765 N766 Y767	W757-Q763 HydrophobicContact CD2-CG 3.95Å; W757-Q763 VanDerWaalsContact CE2-CD 3.43Å; W757-Q763 HydrophobicContact CE3-CG 4.45Å; W757-Q763 HydrophobicContact CG-CG 4.39Å; W757-Q763 HydrophobicContact CH2-CG 4.36Å; W757-Q763 HydrophobicContact CZ2-CG 3.87Å; W757-Q763 VanDerWaalsContact CZ2-NE2 3.27Å; W757-Q763 WeakPolarHBondContact O-CG 3.43Å; L758-Q763 WeakPolarHBondContact O-CB 3.49Å; S760-Q763 PolarHBondContact O-N 3.31Å; S760-Q763 VanDerWaalsContact O-N 3.14Å; S760-Q763 WeakPolarHBondContact OG-CG 3.38Å; S760-Q763 PolarHBondContact OG-N 3.14Å; Q763-I765 VanDerWaalsContact C-N 3.3Å; Q763-I765 PolarHBondContact O-N 2.99Å; Q763-N766 CarbonylContact O-C 3.58Å; Q763-N766 WeakPolarHBondContact O-CA 3.11Å; Q763-N766 WeakPolarHBondContact O-CB 3.32Å; Q763-N766 PolarHBondContact O-N 2.74Å; Q763-Y767 HydrophobicContact CB-CE2 3.9Å; Q763-Y767 VanDerWaalsContact O-CD2 3.28Å; Q763-Y767 WeakPolarHBondContact O-CD2 3.4Å; Q763-Y767 VanDerWaalsContact O-CG 3.23Å; Q763-Y767 PolarHBondContact O-N 2.84Å
764	V	83.7	Confident	83.6	Confident	57 Å²	57	55.6 Å²	55.6	35%	0.345	28%	0.278	S	S	.	.	H	α-helix	trans	-57.7	-44.2	174.9	174.3	0	0	0	0	110.9	S760 E761 N766 Y767 V768	S760-V764 WeakPolarHBondContact O-CG2 3.5Å; S760-V764 PolarHBondContact O-N 3.07Å; E761-V764 PolarHBondContact O-N 3Å; V764-N766 VanDerWaalsContact C-N 3.28Å; V764-N766 PolarHBondContact O-N 3.42Å; V764-Y767 PolarHBondContact O-N 3.27Å; V764-V768 HydrophobicContact CG1-CG2 4.39Å; V764-V768 VanDerWaalsContact O-CG2 3.25Å; V764-V768 WeakPolarHBondContact O-CG2 3.47Å; V764-V768 PolarHBondContact O-N 3.24Å
765	I	80.8	Confident	83.4	Confident	29 Å²	29	55.1 Å²	55.1	15%	0.149	28%	0.277	C	S	.	.	H	α-helix	trans	-58.4	-42.2	174.6	-73.4	167.1	0	0	0	111	L38 I41 E761 E762 Q763 V768 K769	L38-I765 HydrophobicContact CD1-CD1 4.03Å; L38-I765 HydrophobicContact CD1-CG1 3.64Å; I41-I765 HydrophobicContact CD1-CG2 3.79Å; E761-I765 HydrophobicContact CG-CD1 4.19Å; E761-I765 WeakPolarHBondContact O-CB 3.29Å; E761-I765 VanDerWaalsContact O-CG1 3.25Å; E761-I765 WeakPolarHBondContact O-CG1 3.38Å; E761-I765 PolarHBondContact O-N 2.61Å; E762-I765 PolarHBondContact O-N 3.41Å; Q763-I765 VanDerWaalsContact C-N 3.3Å; Q763-I765 PolarHBondContact O-N 2.99Å; I765-V768 PolarHBondContact O-N 2.75Å; I765-K769 HydrophobicContact CG2-CD 4.24Å; I765-K769 VanDerWaalsContact O-CG 3.3Å; I765-K769 WeakPolarHBondContact O-CG 3.42Å; I765-K769 PolarHBondContact O-N 3.25Å
766	N	80.1	Confident	83.4	Confident	52 Å²	52	54.9 Å²	54.9	28%	0.278	28%	0.276	S	S	.	.	H	α-helix	trans	-67.3	-41.4	178.4	-69.4	-27.2	0	0	0	112.3	E762 Q763 V764 V768 K769 L770	E762-N766 PolarHBondContact O-N 2.92Å; E762-N766 VanDerWaalsContact O-N 3.09Å; E762-N766 PolarHBondContact O-ND2 3.36Å; Q763-N766 CarbonylContact O-C 3.58Å; Q763-N766 WeakPolarHBondContact O-CA 3.11Å; Q763-N766 WeakPolarHBondContact O-CB 3.32Å; Q763-N766 PolarHBondContact O-N 2.74Å; V764-N766 VanDerWaalsContact C-N 3.28Å; V764-N766 PolarHBondContact O-N 3.42Å; N766-V768 VanDerWaalsContact C-N 3.33Å; N766-V768 PolarHBondContact O-N 3.15Å; N766-K769 WeakPolarHBondContact O-CB 3.45Å; N766-K769 PolarHBondContact O-N 3Å; N766-L770 WeakPolarHBondContact O-CG 3.45Å; N766-L770 PolarHBondContact O-N 3.47Å
767	Y	84.2	Confident	83.2	Confident	99 Å²	99	52.3 Å²	52.3	39%	0.388	27%	0.269	S	S	.	.	H	α-helix	trans	-60.8	-43.4	174.4	-55.9	-34.5	0	0	0	111.6	L758 Q763 V764 K769 L770 F771	L758-Y767 WeakPolarHBondContact O-CE2 3.31Å; L758-Y767 PolarHBondContact O-OH 2.96Å; Q763-Y767 HydrophobicContact CB-CE2 3.9Å; Q763-Y767 VanDerWaalsContact O-CD2 3.28Å; Q763-Y767 WeakPolarHBondContact O-CD2 3.4Å; Q763-Y767 VanDerWaalsContact O-CG 3.23Å; Q763-Y767 PolarHBondContact O-N 2.84Å; V764-Y767 PolarHBondContact O-N 3.27Å; Y767-K769 PolarHBondContact O-N 3.13Å; Y767-L770 PolarHBondContact O-N 3.05Å; Y767-F771 WeakPolarHBondContact O-CB 3.16Å; Y767-F771 PolarHBondContact O-N 3.4Å
768	V	84.4	Confident	83.1	Confident	37 Å²	37	60 Å²	60	22%	0.224	31%	0.31	C	S	.	.	H	α-helix	trans	-65.7	-38	176.7	177	0	0	0	0	111.3	I41 P42 I45 V764 I765 N766 F771 R772	I41-V768 HydrophobicContact CB-CG1 4.25Å; I41-V768 HydrophobicContact CG2-CG1 3.71Å; P42-V768 HydrophobicContact CG-CG1 4.06Å; I45-V768 HydrophobicContact CD1-CG1 3.48Å; I45-V768 VanDerWaalsContact CD1-CG1 3.48Å; V764-V768 HydrophobicContact CG1-CG2 4.39Å; V764-V768 VanDerWaalsContact O-CG2 3.25Å; V764-V768 WeakPolarHBondContact O-CG2 3.47Å; V764-V768 PolarHBondContact O-N 3.24Å; I765-V768 PolarHBondContact O-N 2.75Å; N766-V768 VanDerWaalsContact C-N 3.33Å; N766-V768 PolarHBondContact O-N 3.15Å; V768-F771 PolarHBondContact O-N 2.86Å; V768-R772 WeakPolarHBondContact O-CB 3.2Å; V768-R772 PolarHBondContact O-N 3.37Å
769	K	82.9	Confident	83.1	Confident	79 Å²	79	58.7 Å²	58.7	34%	0.343	31%	0.306	S	S	.	.	H	α-helix	trans	-63.6	-44.1	173	-73.9	172.4	-174	165	0	111.9	I41 I765 N766 Y767 R772 N773	I41-K769 HydrophobicContact CD1-CD 4.16Å; I41-K769 VanDerWaalsContact CD1-CE 3.46Å; I41-K769 HydrophobicContact CD1-CG 3.62Å; I41-K769 HydrophobicContact CG1-CG 4.44Å; I41-K769 HydrophobicContact CG2-CG 4.36Å; I765-K769 HydrophobicContact CG2-CD 4.24Å; I765-K769 VanDerWaalsContact O-CG 3.3Å; I765-K769 WeakPolarHBondContact O-CG 3.42Å; I765-K769 PolarHBondContact O-N 3.25Å; N766-K769 WeakPolarHBondContact O-CB 3.45Å; N766-K769 PolarHBondContact O-N 3Å; Y767-K769 PolarHBondContact O-N 3.13Å; K769-R772 PolarHBondContact O-N 3.44Å; K769-N773 VanDerWaalsContact O-CB 3.31Å; K769-N773 WeakPolarHBondContact O-CB 3.41Å; K769-N773 PolarHBondContact O-N 3.46Å; K769-N773 PolarHBondContact O-ND2 3.32Å; K769-N773 PolarHBondContact O-OD1 3.45Å
770	L	81.2	Confident	83.1	Confident	117 Å²	117	61.6 Å²	61.6	61%	0.613	32%	0.324	S	S	*	.	H	α-helix	trans	-61.1	-47.7	177.5	-73.6	169.7	0	0	0	110.2	N766 Y767 R772 N773 S774	N766-L770 WeakPolarHBondContact O-CG 3.45Å; N766-L770 PolarHBondContact O-N 3.47Å; Y767-L770 PolarHBondContact O-N 3.05Å; L770-R772 PolarHBondContact O-N 2.96Å; L770-N773 PolarHBondContact O-N 3.43Å; L770-S774 WeakPolarHBondContact O-CB 3.31Å; L770-S774 PolarHBondContact O-N 3.2Å
771	F	84.5	Confident	83	Confident	61 Å²	61	63.2 Å²	63.2	27%	0.268	33%	0.33	S	S	.	.	H	α-helix	trans	-57.1	-50.5	174.7	175.2	-98.7	0	0	0	112	I45 V197 Y767 V768 N773 S774 M775 W776	I45-F771 HydrophobicContact CD1-CD1 3.88Å; I45-F771 HydrophobicContact CD1-CE1 4.33Å; I45-F771 HydrophobicContact CG2-CE1 4.06Å; V197-F771 HydrophobicContact CG1-CZ 4.12Å; Y767-F771 WeakPolarHBondContact O-CB 3.16Å; Y767-F771 PolarHBondContact O-N 3.4Å; V768-F771 PolarHBondContact O-N 2.86Å; F771-N773 VanDerWaalsContact C-N 3.34Å; F771-N773 PolarHBondContact O-N 3.39Å; F771-S774 PolarHBondContact O-N 3.4Å; F771-M775 HydrophobicContact CD2-CG 4.21Å; F771-M775 HydrophobicContact CE1-CG 4.31Å; F771-M775 HydrophobicContact CE2-CG 3.71Å; F771-M775 HydrophobicContact CZ-CG 3.76Å; F771-M775 PolarHBondContact O-N 3.01Å; F771-W776 HydrophobicContact CE1-CZ3 4.23Å
772	R	86.3	Confident	83	Confident	51 Å²	51	61.1 Å²	61.1	19%	0.192	33%	0.327	C	S	.	.	H	α-helix	trans	-57.3	-47.6	176.8	-176.8	-161	62.9	-169.9	-3.7	111.4	I41 I45 Y48 V768 K769 L770 S774 M775 W776	I41-R772 HydrophobicContact CG2-CB 4.44Å; I45-R772 HydrophobicContact CD1-CB 4.02Å; I45-R772 HydrophobicContact CG1-CB 3.83Å; I45-R772 HydrophobicContact CG1-CG 3.93Å; Y48-R772 HydrophobicContact CD2-CG 4.39Å; Y48-R772 HydrophobicContact CE2-CG 4.14Å; V768-R772 WeakPolarHBondContact O-CB 3.2Å; V768-R772 PolarHBondContact O-N 3.37Å; K769-R772 PolarHBondContact O-N 3.44Å; L770-R772 PolarHBondContact O-N 2.96Å; R772-S774 VanDerWaalsContact C-N 3.26Å; R772-S774 PolarHBondContact O-N 2.95Å; R772-M775 PolarHBondContact O-N 3.38Å; R772-W776 CarbonylContact O-C 3.47Å; R772-W776 WeakPolarHBondContact O-CA 3.31Å; R772-W776 PolarHBondContact O-N 3.35Å
773	N	84	Confident	82.9	Confident	78 Å²	78	66.4 Å²	66.4	42%	0.417	35%	0.352	S	S	.	.	H	α-helix	trans	-70.6	-25.6	-176.9	-67	-7.3	0	0	0	112.2	K769 L770 F771 P777	K769-N773 VanDerWaalsContact O-CB 3.31Å; K769-N773 WeakPolarHBondContact O-CB 3.41Å; K769-N773 PolarHBondContact O-N 3.46Å; K769-N773 PolarHBondContact O-ND2 3.32Å; K769-N773 PolarHBondContact O-OD1 3.45Å; L770-N773 PolarHBondContact O-N 3.43Å; F771-N773 VanDerWaalsContact C-N 3.34Å; F771-N773 PolarHBondContact O-N 3.39Å; N773-P777 WeakPolarHBondContact O-CA 3.4Å
774	S	78.7	Confident	82.4	Confident	62 Å²	62	70.1 Å²	70.1	43%	0.434	39%	0.387	S	S	.	.	H	α-helix	trans	-74.3	-45.8	174.3	-171.5	0	0	0	0	111.8	L770 F771 R772 A782	L770-S774 WeakPolarHBondContact O-CB 3.31Å; L770-S774 PolarHBondContact O-N 3.2Å; F771-S774 PolarHBondContact O-N 3.4Å; R772-S774 VanDerWaalsContact C-N 3.26Å; R772-S774 PolarHBondContact O-N 2.95Å; S774-A782 WeakPolarHBondContact O-CB 3.45Å
775	M	80.9	Confident	81.8	Confident	31 Å²	31	71.5 Å²	71.5	15%	0.153	40%	0.404	C	S	.	.	H	α-helix	trans	-82.6	-31.1	-178.3	-68.1	-63.5	-68	0	0	112.7	F771 R772 A782	F771-M775 HydrophobicContact CD2-CG 4.21Å; F771-M775 HydrophobicContact CE1-CG 4.31Å; F771-M775 HydrophobicContact CE2-CG 3.71Å; F771-M775 HydrophobicContact CZ-CG 3.76Å; F771-M775 PolarHBondContact O-N 3.01Å; R772-M775 PolarHBondContact O-N 3.38Å; M775-A782 WeakPolarHBondContact O-CB 3.25Å; M775-A782 PolarHBondContact O-N 3.08Å
776	W	87.6	Confident	81.5	Confident	2 Å²	2	76 Å²	76	1%	0.008	44%	0.435	C	S	.	.	S	Bend	trans	-134.4	69.1	179.9	-65.5	-87.6	0	0	0	112.4	I45 Y48 T49 D52 Y53 F771 R772 N778 G779 V780 L781	I45-W776 HydrophobicContact CG2-CH2 4.35Å; I45-W776 HydrophobicContact CG2-CZ3 3.95Å; Y48-W776 HydrophobicContact CD2-CB 3.73Å; Y48-W776 AromaticContact CD2-CD2 3.98Å; Y48-W776 HydrophobicContact CD2-CD2 3.98Å; Y48-W776 HydrophobicContact CD2-CE3 4.35Å; Y48-W776 AromaticContact CD2-CG 3.68Å; Y48-W776 HydrophobicContact CD2-CG 3.68Å; Y48-W776 HydrophobicContact CE2-CB 4.13Å; Y48-W776 HydrophobicContact CG-CD2 4.33Å; Y48-W776 HydrophobicContact CG-CG 4.1Å; T49-W776 WeakPolarHBondContact OG1-CH2 3.3Å; D52-W776 VanDerWaalsContact OD2-CD1 3.3Å; D52-W776 PolarHBondContact OD2-NE1 2.78Å; Y53-W776 AromaticContact CE2-CZ2 3.98Å; Y53-W776 HydrophobicContact CE2-CZ2 3.98Å; F771-W776 HydrophobicContact CE1-CZ3 4.23Å; R772-W776 CarbonylContact O-C 3.47Å; R772-W776 WeakPolarHBondContact O-CA 3.31Å; R772-W776 PolarHBondContact O-N 3.35Å; W776-N778 PolarHBondContact O-N 2.97Å; W776-G779 PolarHBondContact O-N 3.22Å; W776-V780 CarbonylContact C-O 3.6Å; W776-V780 WeakPolarHBondContact CA-O 3.47Å; W776-L781 VanDerWaalsContact CD1-CA 3.45Å; W776-L781 HydrophobicContact CZ2-CD1 4.32Å
777	P	82.4	Confident	81.4	Confident	55 Å²	55	79.7 Å²	79.7	36%	0.357	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-56.4	127	173.7	25.2	-34.4	0	0	0	109.8	N773 G779 V780 A782	N773-P777 WeakPolarHBondContact O-CA 3.4Å; P777-G779 PolarHBondContact O-N 3.22Å; P777-V780 VanDerWaalsContact CD-O 3.29Å; P777-V780 WeakPolarHBondContact CD-O 3.34Å; P777-V780 PolarHBondContact O-N 2.88Å; P777-V780 VanDerWaalsContact O-N 3.13Å; P777-A782 HydrophobicContact CG-CB 4.02Å
778	N	84	Confident	81.4	Confident	172 Å²	172	78.4 Å²	78.4	92%	0.92	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	54.5	23.3	-174.9	-54.5	-44.9	0	0	0	114.7	W776 V780	W776-N778 PolarHBondContact O-N 2.97Å; N778-V780 VanDerWaalsContact C-N 3.35Å
779	G	84.8	Confident	81.6	Confident	10 Å²	10	80.4 Å²	80.4	10%	0.103	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	80	9.6	179.4	0	0	0	0	0	114.9	R51 W776 P777	R51-G779 VanDerWaalsContact CZ-O 3.26Å; R51-G779 PolarHBondContact NH1-O 2.7Å; R51-G779 PolarHBondContact NH2-O 2.9Å; W776-G779 PolarHBondContact O-N 3.22Å; P777-G779 PolarHBondContact O-N 3.22Å
780	V	86.3	Confident	81.8	Confident	96 Å²	96	81.2 Å²	81.2	58%	0.582	47%	0.472	S	S	*	.	S	Bend	trans	-109.4	139.2	173.9	-178.3	0	0	0	0	108.5	W776 P777 N778 A782	W776-V780 CarbonylContact C-O 3.6Å; W776-V780 WeakPolarHBondContact CA-O 3.47Å; P777-V780 VanDerWaalsContact CD-O 3.29Å; P777-V780 WeakPolarHBondContact CD-O 3.34Å; P777-V780 PolarHBondContact O-N 2.88Å; P777-V780 VanDerWaalsContact O-N 3.13Å; N778-V780 VanDerWaalsContact C-N 3.35Å; V780-A782 PolarHBondContact O-N 2.89Å
781	L	84.1	Confident	82.2	Confident	62 Å²	62	77.4 Å²	77.4	33%	0.325	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-54.3	128.2	179.5	-176.2	66.4	0	0	0	109.7	D52 Y53 W776 E783	D52-L781 HydrophobicContact CB-CD2 4.42Å; Y53-L781 HydrophobicContact CE2-CD1 4.41Å; Y53-L781 WeakPolarHBondContact OH-CD1 3.35Å; W776-L781 VanDerWaalsContact CD1-CA 3.45Å; W776-L781 HydrophobicContact CZ2-CD1 4.32Å; L781-E783 PolarHBondContact O-N 2.93Å
782	A	80.4	Confident	82.6	Confident	41 Å²	41	76.2 Å²	76.2	34%	0.339	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-59.6	130	-177	0	0	0	0	0	110.5	S774 M775 P777 V780	S774-A782 WeakPolarHBondContact O-CB 3.45Å; M775-A782 WeakPolarHBondContact O-CB 3.25Å; M775-A782 PolarHBondContact O-N 3.08Å; P777-A782 HydrophobicContact CG-CB 4.02Å; V780-A782 PolarHBondContact O-N 2.89Å
783	E	78.3	Confident	82.9	Confident	181 Å²	181	76 Å²	76	85%	0.846	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-68.8	155.4	164.5	-66	-178	-178.9	0	0	109.6	L781 A785	L781-E783 PolarHBondContact O-N 2.93Å; E783-A785 PolarHBondContact O-N 2.96Å; E783-A785 VanDerWaalsContact O-N 3.12Å
784	A	71	Confident	83.3	Confident	101 Å²	101	72.2 Å²	72.2	84%	0.835	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-57.1	121.3	174.8	0	0	0	0	0	109.2
785	A	70.5	Confident	83.9	Confident	85 Å²	85	73 Å²	73	70%	0.702	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-57.1	139.7	179.2	0	0	0	0	0	109.8	E783 V787	E783-A785 PolarHBondContact O-N 2.96Å; E783-A785 VanDerWaalsContact O-N 3.12Å; A785-V787 PolarHBondContact O-N 3.42Å
786	P	75.9	Confident	84.5	Confident	124 Å²	124	72.2 Å²	72.2	81%	0.805	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-59.5	136.2	178.1	25	-33.2	0	0	0	109.5	R788	P786-R788 PolarHBondContact O-N 2.98Å
787	V	76.8	Confident	84.8	Confident	129 Å²	129	74.3 Å²	74.3	78%	0.782	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-58.5	118.1	178.4	-179.3	0	0	0	0	108.5	A785	A785-V787 PolarHBondContact O-N 3.42Å
788	R	83.8	Confident	85.3	Confident	73 Å²	73	71.8 Å²	71.8	28%	0.275	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-62.7	136.3	179.3	-167.3	178.7	-173	-154.2	1.1	109.8	D209 P786 Q790 T792 K793 T796	D209-R788 IonicContact OD1-NH1 2.84Å; D209-R788 PolarHBondContact OD1-NH1 2.82Å; D209-R788 WeakPolarHBondContact OD2-CD 3.48Å; D209-R788 IonicContact OD2-NH1 3.29Å; P786-R788 PolarHBondContact O-N 2.98Å; R788-Q790 PolarHBondContact O-N 2.92Å; R788-T792 HydrophobicContact CG-CG2 4.28Å; R788-T792 VanDerWaalsContact NE-CG2 3.33Å; R788-K793 HydrophobicContact CB-CG 4.16Å; R788-K793 HydrophobicContact CG-CG 4.29Å; R788-K793 VanDerWaalsContact O-CE 3.3Å; R788-K793 WeakPolarHBondContact O-CE 3.25Å; R788-T796 PolarHBondContact NH1-OG1 3.13Å; R788-T796 PolarHBondContact NH2-OG1 2.91Å
789	P	88.7	Confident	85.6	Confident	79 Å²	79	66.1 Å²	66.1	51%	0.513	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-56.5	139	-179.3	-24.9	32.9	0	0	0	112.1	S791 T792 K793	P789-S791 VanDerWaalsContact C-N 3.29Å; P789-S791 PolarHBondContact O-N 3.34Å; P789-T792 WeakPolarHBondContact O-CA 3.49Å; P789-T792 WeakPolarHBondContact O-CB 3.31Å; P789-T792 PolarHBondContact O-N 2.9Å; P789-K793 PolarHBondContact O-N 2.73Å; P789-K793 VanDerWaalsContact O-N 3.07Å
790	Q	88.1	Confident	86	Confident	95 Å²	95	65.7 Å²	65.7	44%	0.444	38%	0.382	S	S	.	.	H	α-helix	trans	-55	-42.9	-176.8	-175.6	63.5	5.7	0	0	112.3	D240 R788 T792 K793 A794	D240-Q790 PolarHBondContact OD2-NE2 3.46Å; D240-Q790 VanDerWaalsContact OD2-NE2 3.1Å; R788-Q790 PolarHBondContact O-N 2.92Å; Q790-T792 PolarHBondContact O-N 3.03Å; Q790-K793 WeakPolarHBondContact O-CB 3.46Å; Q790-K793 PolarHBondContact O-N 3.46Å; Q790-K793 VanDerWaalsContact O-N 3.15Å; Q790-A794 WeakPolarHBondContact O-CB 3.47Å; Q790-A794 PolarHBondContact O-N 3.07Å
791	S	90.2	Very high	86.2	Confident	38 Å²	38	62.4 Å²	62.4	27%	0.266	36%	0.359	S	S	.	.	H	α-helix	trans	-60.7	-28.2	175.6	62.5	0	0	0	0	113.5	A244 P789 R795	A244-S791 WeakPolarHBondContact CB-O 3.26Å; P789-S791 VanDerWaalsContact C-N 3.29Å; P789-S791 PolarHBondContact O-N 3.34Å; S791-R795 VanDerWaalsContact O-CG 3.29Å; S791-R795 WeakPolarHBondContact O-CG 3.44Å; S791-R795 PolarHBondContact O-N 2.76Å; S791-R795 PolarHBondContact O-NE 2.9Å; S791-R795 VanDerWaalsContact O-NE 3.11Å
792	T	91.2	Very high	86.6	Confident	35 Å²	35	59.5 Å²	59.5	22%	0.215	34%	0.344	C	S	.	.	H	α-helix	trans	-82.1	-36	177.8	-52.7	0	0	0	0	111.4	R788 P789 Q790 R795 T796	R788-T792 HydrophobicContact CG-CG2 4.28Å; R788-T792 VanDerWaalsContact NE-CG2 3.33Å; P789-T792 WeakPolarHBondContact O-CA 3.49Å; P789-T792 WeakPolarHBondContact O-CB 3.31Å; P789-T792 PolarHBondContact O-N 2.9Å; Q790-T792 PolarHBondContact O-N 3.03Å; T792-R795 PolarHBondContact OG1-NH2 3.45Å; T792-R795 VanDerWaalsContact OG1-NH2 3.15Å; T792-T796 WeakPolarHBondContact O-CB 3.17Å; T792-T796 PolarHBondContact O-N 2.69Å; T792-T796 PolarHBondContact O-OG1 2.85Å
793	K	92.4	Very high	86.9	Confident	46 Å²	46	58 Å²	58	20%	0.2	33%	0.33	C	S	.	.	H	α-helix	trans	-60.8	-50.9	171.3	-60.9	-169.4	170.5	-171.4	0	110.5	D209 R788 P789 Q790 R795 T796 R797	D209-K793 HydrophobicContact CB-CD 4.05Å; D209-K793 HydrophobicContact CB-CG 4.25Å; R788-K793 HydrophobicContact CB-CG 4.16Å; R788-K793 HydrophobicContact CG-CG 4.29Å; R788-K793 VanDerWaalsContact O-CE 3.3Å; R788-K793 WeakPolarHBondContact O-CE 3.25Å; P789-K793 PolarHBondContact O-N 2.73Å; P789-K793 VanDerWaalsContact O-N 3.07Å; Q790-K793 WeakPolarHBondContact O-CB 3.46Å; Q790-K793 PolarHBondContact O-N 3.46Å; Q790-K793 VanDerWaalsContact O-N 3.15Å; K793-R795 PolarHBondContact O-N 2.96Å; K793-T796 WeakPolarHBondContact O-CB 3.36Å; K793-T796 PolarHBondContact O-N 3.13Å; K793-R797 PolarHBondContact O-N 3.45Å
794	A	92.8	Very high	87.4	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-56.5	-48.6	178.7	0	0	0	0	0	112.4	D240 E241 A244 Q790 T796 R797 V798	D240-A794 HydrophobicContact CB-CB 4.38Å; E241-A794 HydrophobicContact CG-CB 4.27Å; A244-A794 HydrophobicContact CB-CB 3.88Å; Q790-A794 WeakPolarHBondContact O-CB 3.47Å; Q790-A794 PolarHBondContact O-N 3.07Å; A794-T796 VanDerWaalsContact C-N 3.31Å; A794-T796 PolarHBondContact O-N 2.84Å; A794-R797 WeakPolarHBondContact O-CB 3.34Å; A794-R797 PolarHBondContact O-N 2.95Å; A794-R797 VanDerWaalsContact O-N 3.11Å; A794-V798 PolarHBondContact O-N 3.36Å
795	R	92.9	Very high	88.3	Confident	78 Å²	78	46.3 Å²	46.3	29%	0.294	26%	0.261	S	S	.	.	H	α-helix	trans	-60.7	-38.7	174.5	-74.1	179.8	-63.8	166.7	-0.4	113.2	A244 S791 T792 K793 R797 V798 V799	A244-R795 HydrophobicContact CB-CG 3.94Å; A244-R795 WeakPolarHBondContact O-CD 3.47Å; S791-R795 VanDerWaalsContact O-CG 3.29Å; S791-R795 WeakPolarHBondContact O-CG 3.44Å; S791-R795 PolarHBondContact O-N 2.76Å; S791-R795 PolarHBondContact O-NE 2.9Å; S791-R795 VanDerWaalsContact O-NE 3.11Å; T792-R795 PolarHBondContact OG1-NH2 3.45Å; T792-R795 VanDerWaalsContact OG1-NH2 3.15Å; K793-R795 PolarHBondContact O-N 2.96Å; R795-R797 VanDerWaalsContact C-N 3.28Å; R795-R797 PolarHBondContact O-N 2.9Å; R795-V798 PolarHBondContact O-N 2.65Å; R795-V799 WeakPolarHBondContact O-CG2 3.34Å; R795-V799 PolarHBondContact O-N 2.78Å
796	T	92.2	Very high	89	Confident	15 Å²	15	42.5 Å²	42.5	9%	0.092	23%	0.229	C	C	.	.	H	α-helix	trans	-66	-36.6	177.2	-54.8	0	0	0	0	110.9	C212 H213 A216 R788 T792 K793 A794 V799 A800	C212-T796 HydrophobicContact CB-CG2 4.22Å; H213-T796 HydrophobicContact CB-CG2 4.42Å; A216-T796 HydrophobicContact CB-CG2 4.43Å; R788-T796 PolarHBondContact NH1-OG1 3.13Å; R788-T796 PolarHBondContact NH2-OG1 2.91Å; T792-T796 WeakPolarHBondContact O-CB 3.17Å; T792-T796 PolarHBondContact O-N 2.69Å; T792-T796 PolarHBondContact O-OG1 2.85Å; K793-T796 WeakPolarHBondContact O-CB 3.36Å; K793-T796 PolarHBondContact O-N 3.13Å; A794-T796 VanDerWaalsContact C-N 3.31Å; A794-T796 PolarHBondContact O-N 2.84Å; T796-V799 PolarHBondContact O-N 3.48Å; T796-A800 VanDerWaalsContact O-CB 3.31Å; T796-A800 WeakPolarHBondContact O-CB 3.47Å; T796-A800 PolarHBondContact O-N 3.5Å
797	R	93.5	Very high	89.3	Confident	45 Å²	45	39.2 Å²	39.2	17%	0.17	20%	0.204	C	C	.	.	H	α-helix	trans	-61.4	-49.2	175.3	-162.3	174.1	-37	119.9	-16.1	111.3	D238 E241 K793 A794 R795 V799 A800 R801 F829 Q833	D238-R797 IonicContact OD2-CZ 3.45Å; D238-R797 IonicContact OD2-NH1 3.45Å; D238-R797 PolarHBondContact OD2-NH1 2.84Å; D238-R797 IonicContact OD2-NH2 3.03Å; E241-R797 WeakPolarHBondContact OE1-CB 3.17Å; E241-R797 WeakPolarHBondContact OE1-CD 3.17Å; E241-R797 WeakPolarHBondContact OE1-CG 3.46Å; E241-R797 IonicContact OE1-CZ 3.27Å; E241-R797 IonicContact OE1-NE 2.74Å; E241-R797 IonicContact OE1-NH1 2.82Å; E241-R797 PolarHBondContact OE1-NH1 3.41Å; K793-R797 PolarHBondContact O-N 3.45Å; A794-R797 WeakPolarHBondContact O-CB 3.34Å; A794-R797 PolarHBondContact O-N 2.95Å; A794-R797 VanDerWaalsContact O-N 3.11Å; R795-R797 VanDerWaalsContact C-N 3.28Å; R795-R797 PolarHBondContact O-N 2.9Å; R797-V799 PolarHBondContact O-N 2.97Å; R797-A800 PolarHBondContact O-N 3.25Å; R797-R801 WeakPolarHBondContact O-CB 3.26Å; R797-R801 PolarHBondContact O-N 3.3Å; R797-F829 HydrophobicContact CG-CE1 3.36Å; R797-F829 HydrophobicContact CG-CZ 3.52Å; R797-F829 WeakPolarHBondContact O-CZ 3.11Å; R797-Q833 VanDerWaalsContact NE-OE1 3.13Å
798	V	93	Very high	89.6	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.012	18%	0.176	C	C	.	.	H	α-helix	trans	-58.1	-46	175.6	178.1	0	0	0	0	111.4	F229 V232 L233 E241 A794 R795 R801 T802	F229-V798 HydrophobicContact CD2-CG1 4.17Å; F229-V798 HydrophobicContact CE2-CG1 3.63Å; V232-V798 HydrophobicContact CG1-CG1 4.25Å; L233-V798 HydrophobicContact CD2-CG1 4.28Å; E241-V798 HydrophobicContact CB-CG2 3.72Å; E241-V798 HydrophobicContact CG-CG2 3.9Å; A794-V798 PolarHBondContact O-N 3.36Å; R795-V798 PolarHBondContact O-N 2.65Å; V798-R801 PolarHBondContact O-N 3.32Å; V798-T802 WeakPolarHBondContact O-CB 3.41Å; V798-T802 PolarHBondContact O-N 2.92Å; V798-T802 PolarHBondContact O-OG1 3.44Å
799	V	91.4	Very high	89.4	Confident	54 Å²	54	32 Å²	32	33%	0.327	17%	0.167	S	C	.	.	H	α-helix	trans	-61.9	-48.5	178.2	169.3	0	0	0	0	111.3	A216 R795 T796 R797 R801 T802 Q803	A216-V799 HydrophobicContact CB-CG1 4.39Å; R795-V799 WeakPolarHBondContact O-CG2 3.34Å; R795-V799 PolarHBondContact O-N 2.78Å; T796-V799 PolarHBondContact O-N 3.48Å; R797-V799 PolarHBondContact O-N 2.97Å; V799-R801 PolarHBondContact O-N 3.49Å; V799-T802 PolarHBondContact O-N 3.31Å; V799-Q803 HydrophobicContact CG1-CG 4.39Å; V799-Q803 WeakPolarHBondContact O-CB 3.36Å; V799-Q803 WeakPolarHBondContact O-CG 3.19Å; V799-Q803 PolarHBondContact O-N 3.1Å
800	A	91.6	Very high	88.8	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.7	-43.7	-179.8	0	0	0	0	0	112	C212 V215 A216 T796 R797 Q803 T804 F829	C212-A800 HydrophobicContact CB-CB 4.19Å; V215-A800 HydrophobicContact CB-CB 4.21Å; V215-A800 HydrophobicContact CG1-CB 3.99Å; A216-A800 HydrophobicContact CB-CB 4.48Å; T796-A800 VanDerWaalsContact O-CB 3.31Å; T796-A800 WeakPolarHBondContact O-CB 3.47Å; T796-A800 PolarHBondContact O-N 3.5Å; R797-A800 PolarHBondContact O-N 3.25Å; A800-Q803 PolarHBondContact O-N 3.48Å; A800-T804 WeakPolarHBondContact O-CB 3.45Å; A800-T804 PolarHBondContact O-N 3.47Å; A800-T804 PolarHBondContact O-OG1 2.79Å; A800-F829 HydrophobicContact CB-CE2 3.85Å; A800-F829 HydrophobicContact CB-CZ 4.14Å
801	R	91.8	Very high	88	Confident	28 Å²	28	28.3 Å²	28.3	11%	0.106	15%	0.145	C	C	.	.	H	α-helix	trans	-61.7	-45.5	175.8	-169	171.6	175.9	173.2	-0.2	111.2	V232 R797 V798 V799 T804 L805 C826 F829	V232-R801 HydrophobicContact CG1-CB 4.29Å; V232-R801 HydrophobicContact CG1-CG 4.1Å; V232-R801 HydrophobicContact CG2-CG 4.1Å; R797-R801 WeakPolarHBondContact O-CB 3.26Å; R797-R801 PolarHBondContact O-N 3.3Å; V798-R801 PolarHBondContact O-N 3.32Å; V799-R801 PolarHBondContact O-N 3.49Å; R801-T804 PolarHBondContact O-N 3.43Å; R801-L805 PolarHBondContact O-N 2.93Å; R801-C826 PolarHBondContact NE-SG 2.84Å; R801-C826 PolarHBondContact NH2-SG 2.77Å; R801-F829 HydrophobicContact CB-CD1 4.09Å; R801-F829 HydrophobicContact CB-CD2 4.26Å; R801-F829 HydrophobicContact CB-CE1 3.93Å; R801-F829 HydrophobicContact CB-CE2 4.1Å; R801-F829 HydrophobicContact CB-CG 4.24Å; R801-F829 HydrophobicContact CB-CZ 3.92Å; R801-F829 HydrophobicContact CG-CD1 4.01Å; R801-F829 HydrophobicContact CG-CE1 4.31Å; R801-F829 HydrophobicContact CG-CG 4.12Å
802	T	92	Very high	87.3	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.9	-42.9	178.2	-52.2	0	0	0	0	112.2	L224 D228 F229 V798 V799 T804 L805 S806	L224-T802 HydrophobicContact CD2-CG2 3.46Å; L224-T802 VanDerWaalsContact CD2-CG2 3.46Å; D228-T802 HydrophobicContact CB-CG2 4.08Å; F229-T802 HydrophobicContact CB-CG2 3.9Å; F229-T802 HydrophobicContact CD2-CG2 4.32Å; V798-T802 WeakPolarHBondContact O-CB 3.41Å; V798-T802 PolarHBondContact O-N 2.92Å; V798-T802 PolarHBondContact O-OG1 3.44Å; V799-T802 PolarHBondContact O-N 3.31Å; T802-T804 VanDerWaalsContact C-N 3.31Å; T802-T804 PolarHBondContact O-N 2.55Å; T802-L805 PolarHBondContact O-N 2.82Å; T802-S806 WeakPolarHBondContact O-CB 3.39Å; T802-S806 PolarHBondContact O-N 2.99Å; T802-S806 PolarHBondContact O-OG 2.83Å
803	Q	87.5	Confident	86.8	Confident	9 Å²	9	25.9 Å²	25.9	4%	0.042	13%	0.127	C	C	.	.	H	α-helix	trans	-65.2	-35.9	176.9	-74.6	176.5	-54.4	0	0	112.3	A216 L219 L224 V799 A800 S806 L807	A216-Q803 VanDerWaalsContact CA-OE1 3.26Å; L219-Q803 HydrophobicContact CB-CB 3.99Å; L219-Q803 HydrophobicContact CD1-CB 4.09Å; L219-Q803 PolarHBondContact O-NE2 2.75Å; L224-Q803 HydrophobicContact CD2-CB 4.42Å; L224-Q803 HydrophobicContact CD2-CG 3.46Å; L224-Q803 VanDerWaalsContact CD2-CG 3.46Å; L224-Q803 HydrophobicContact CG-CG 4.01Å; V799-Q803 HydrophobicContact CG1-CG 4.39Å; V799-Q803 WeakPolarHBondContact O-CB 3.36Å; V799-Q803 WeakPolarHBondContact O-CG 3.19Å; V799-Q803 PolarHBondContact O-N 3.1Å; A800-Q803 PolarHBondContact O-N 3.48Å; Q803-S806 PolarHBondContact O-N 3.48Å; Q803-L807 PolarHBondContact O-N 2.99Å
804	T	88.8	Confident	85.8	Confident	35 Å²	35	25.8 Å²	25.8	22%	0.215	13%	0.128	C	C	.	.	H	α-helix	trans	-64.9	-43.2	176	-54.7	0	0	0	0	110.5	A800 R801 T802 L807 V825	A800-T804 WeakPolarHBondContact O-CB 3.45Å; A800-T804 PolarHBondContact O-N 3.47Å; A800-T804 PolarHBondContact O-OG1 2.79Å; R801-T804 PolarHBondContact O-N 3.43Å; T802-T804 VanDerWaalsContact C-N 3.31Å; T802-T804 PolarHBondContact O-N 2.55Å; T804-L807 VanDerWaalsContact O-CB 3.25Å; T804-L807 WeakPolarHBondContact O-CB 3.4Å; T804-L807 PolarHBondContact O-N 2.73Å; T804-V825 HydrophobicContact CG2-CG1 3.79Å
805	L	88.5	Confident	84.7	Confident	2 Å²	2	26.9 Å²	26.9	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-66.7	-38.3	174.1	-173.1	59.9	0	0	0	112.4	D228 T231 V232 R801 T802 L807 L808 K813 T821 V825	D228-L805 HydrophobicContact CB-CD2 4.01Å; D228-L805 HydrophobicContact CB-CG 4.23Å; T231-L805 HydrophobicContact CG2-CD2 4.19Å; V232-L805 HydrophobicContact CG2-CD2 4.24Å; R801-L805 PolarHBondContact O-N 2.93Å; T802-L805 PolarHBondContact O-N 2.82Å; L805-L807 PolarHBondContact O-N 2.97Å; L805-L808 PolarHBondContact O-N 3.13Å; L805-K813 VanDerWaalsContact O-CE 3.22Å; L805-K813 WeakPolarHBondContact O-CE 2.96Å; L805-K813 PolarHBondContact O-NZ 3.37Å; L805-T821 HydrophobicContact CD1-CG2 4.23Å; L805-V825 HydrophobicContact CB-CG1 4.32Å; L805-V825 HydrophobicContact CD1-CB 4.28Å; L805-V825 HydrophobicContact CD1-CG1 4.44Å; L805-V825 HydrophobicContact CD1-CG2 4.19Å
806	S	85.9	Confident	83.7	Confident	5 Å²	5	23.3 Å²	23.3	4%	0.035	12%	0.12	C	C	.	.	H	α-helix	trans	-68.1	-15.4	176.5	-64	0	0	0	0	113.6	K225 D228 T802 Q803 L808	K225-S806 PolarHBondContact N-OG 3.26Å; D228-S806 VanDerWaalsContact OD2-CA 3.24Å; D228-S806 WeakPolarHBondContact OD2-CA 3.49Å; D228-S806 PolarHBondContact OD2-OG 3.15Å; D228-S806 VanDerWaalsContact OD2-OG 3.11Å; T802-S806 WeakPolarHBondContact O-CB 3.39Å; T802-S806 PolarHBondContact O-N 2.99Å; T802-S806 PolarHBondContact O-OG 2.83Å; Q803-S806 PolarHBondContact O-N 3.48Å; S806-L808 VanDerWaalsContact C-N 3.28Å; S806-L808 PolarHBondContact O-N 2.85Å
807	L	83.3	Confident	82.7	Confident	56 Å²	56	22.8 Å²	22.8	29%	0.293	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-33.1	176.7	-173.9	63.4	0	0	0	111.5	L219 V222 V636 Q803 T804 L805	L219-L807 HydrophobicContact CD2-CD1 4.49Å; V222-L807 HydrophobicContact CG2-CD1 4.08Å; V636-L807 HydrophobicContact CG1-CD1 4.24Å; Q803-L807 PolarHBondContact O-N 2.99Å; T804-L807 VanDerWaalsContact O-CB 3.25Å; T804-L807 WeakPolarHBondContact O-CB 3.4Å; T804-L807 PolarHBondContact O-N 2.73Å; L805-L807 PolarHBondContact O-N 2.97Å
808	L	81.9	Confident	81.9	Confident	37 Å²	37	22.8 Å²	22.8	19%	0.194	12%	0.121	C	C	.	.	S	Bend	trans	-77	130.7	-178.5	-63.3	178.2	0	0	0	111.3	L805 S806 F812 K813 T821 V825	L805-L808 PolarHBondContact O-N 3.13Å; S806-L808 VanDerWaalsContact C-N 3.28Å; S806-L808 PolarHBondContact O-N 2.85Å; L808-F812 HydrophobicContact CD2-CD1 4.09Å; L808-F812 HydrophobicContact CD2-CE1 4.27Å; L808-K813 HydrophobicContact CB-CG 4.3Å; L808-K813 WeakPolarHBondContact O-CE 3.44Å; L808-T821 HydrophobicContact CD1-CG2 3.35Å; L808-V825 HydrophobicContact CD1-CG2 3.62Å
809	P	78.8	Confident	81.1	Confident	12 Å²	12	26.7 Å²	26.7	8%	0.078	14%	0.141	C	C	.	.			trans	-65.3	148.2	174.8	-15.9	29.5	0	0	0	111.8	R640 V643 E811 F812 K813	R640-P809 HydrophobicContact CB-CG 4.2Å; R640-P809 HydrophobicContact CG-CB 4.33Å; R640-P809 HydrophobicContact CG-CG 3.99Å; V643-P809 HydrophobicContact CB-CB 4.25Å; V643-P809 HydrophobicContact CB-CG 4.01Å; V643-P809 HydrophobicContact CG1-CB 3.8Å; V643-P809 HydrophobicContact CG1-CG 3.97Å; V643-P809 HydrophobicContact CG2-CG 4.08Å; P809-E811 WeakPolarHBondContact CB-OE2 3.46Å; P809-E811 PolarHBondContact O-N 2.99Å; P809-F812 VanDerWaalsContact O-CB 3.3Å; P809-F812 WeakPolarHBondContact O-CB 3.4Å; P809-F812 PolarHBondContact O-N 3.01Å; P809-K813 PolarHBondContact O-N 3.13Å; P809-K813 VanDerWaalsContact O-N 3.13Å
810	D	76.2	Confident	80.4	Confident	67 Å²	67	26.9 Å²	26.9	36%	0.358	15%	0.145	S	C	.	.	H	α-helix	trans	-65.2	-30.3	-174.5	-58.5	-43.9	0	0	0	112.1	K225 F812 K813 L814	K225-D810 IonicContact NZ-OD1 2.73Å; K225-D810 PolarHBondContact NZ-OD1 3.02Å; K225-D810 IonicContact NZ-OD2 3.76Å; K225-D810 PolarHBondContact NZ-OD2 2.89Å; D810-F812 VanDerWaalsContact C-N 3.29Å; D810-F812 PolarHBondContact O-N 3.14Å; D810-K813 PolarHBondContact O-N 3.23Å; D810-L814 WeakPolarHBondContact O-CB 2.97Å; D810-L814 PolarHBondContact O-N 2.94Å
811	E	72.3	Confident	80	Confident	31 Å²	31	26.9 Å²	26.9	15%	0.145	15%	0.145	C	C	.	.	H	α-helix	trans	-70.8	-28.1	176.7	-50.9	77.4	-176.8	0	0	111.5	V643 K644 P809 F815	V643-E811 HydrophobicContact CG1-CB 4.11Å; K644-E811 WeakPolarHBondContact CE-OE1 3.39Å; K644-E811 VanDerWaalsContact CG-CD 3.42Å; K644-E811 HydrophobicContact CG-CG 4.35Å; K644-E811 WeakPolarHBondContact CG-OE1 3.49Å; K644-E811 VanDerWaalsContact CG-OE2 3.25Å; K644-E811 WeakPolarHBondContact CG-OE2 3.3Å; K644-E811 IonicContact NZ-OE1 2.64Å; P809-E811 WeakPolarHBondContact CB-OE2 3.46Å; P809-E811 PolarHBondContact O-N 2.99Å; E811-F815 WeakPolarHBondContact O-CB 3.3Å; E811-F815 PolarHBondContact O-N 3.29Å
812	F	76.3	Confident	79.7	Confident	18 Å²	18	26.4 Å²	26.4	8%	0.079	15%	0.145	C	C	.	.	H	α-helix	trans	-72.2	-43.6	170.9	-164.1	-113.7	0	0	0	111	V643 V714 F718 F734 L735 L808 P809 D810 L814 F815 I816	V643-F812 HydrophobicContact CG1-CB 3.77Å; V714-F812 HydrophobicContact CG2-CZ 4.29Å; F718-F812 HydrophobicContact CE2-CE1 4.1Å; F718-F812 HydrophobicContact CE2-CZ 4.46Å; F718-F812 HydrophobicContact CZ-CE1 4.13Å; F734-F812 AromaticContact CE1-CD2 3.83Å; F734-F812 HydrophobicContact CE1-CD2 3.83Å; F734-F812 AromaticContact CE1-CE2 3.91Å; F734-F812 HydrophobicContact CE1-CE2 3.91Å; F734-F812 HydrophobicContact CZ-CD2 4.36Å; L735-F812 HydrophobicContact CD2-CE2 4.35Å; L808-F812 HydrophobicContact CD2-CD1 4.09Å; L808-F812 HydrophobicContact CD2-CE1 4.27Å; P809-F812 VanDerWaalsContact O-CB 3.3Å; P809-F812 WeakPolarHBondContact O-CB 3.4Å; P809-F812 PolarHBondContact O-N 3.01Å; D810-F812 VanDerWaalsContact C-N 3.29Å; D810-F812 PolarHBondContact O-N 3.14Å; F812-L814 VanDerWaalsContact C-N 3.3Å; F812-L814 PolarHBondContact O-N 2.84Å; F812-F815 PolarHBondContact O-N 3.18Å; F812-F815 VanDerWaalsContact O-N 3.13Å; F812-I816 HydrophobicContact CD1-CD1 3.86Å; F812-I816 HydrophobicContact CE1-CD1 3.26Å; F812-I816 HydrophobicContact CE1-CG1 4.33Å; F812-I816 HydrophobicContact CE2-CD1 4.06Å; F812-I816 HydrophobicContact CG-CD1 4.48Å; F812-I816 HydrophobicContact CZ-CD1 3.39Å; F812-I816 HydrophobicContact CZ-CG1 4.38Å; F812-I816 PolarHBondContact O-N 2.78Å
813	K	78.7	Confident	79.4	Confident	4 Å²	4	29.3 Å²	29.3	2%	0.017	17%	0.17	C	C	.	.	H	α-helix	trans	-60.5	-41.5	175.9	-60.7	-178.2	179.6	173.2	0	111.1	D228 L805 L808 P809 D810 F815 I816 G817 N818 T821	D228-K813 IonicContact OD1-NZ 3.8Å; D228-K813 PolarHBondContact OD1-NZ 2.85Å; D228-K813 IonicContact OD2-NZ 3.79Å; D228-K813 PolarHBondContact OD2-NZ 2.85Å; L805-K813 VanDerWaalsContact O-CE 3.22Å; L805-K813 WeakPolarHBondContact O-CE 2.96Å; L805-K813 PolarHBondContact O-NZ 3.37Å; L808-K813 HydrophobicContact CB-CG 4.3Å; L808-K813 WeakPolarHBondContact O-CE 3.44Å; P809-K813 PolarHBondContact O-N 3.13Å; P809-K813 VanDerWaalsContact O-N 3.13Å; D810-K813 PolarHBondContact O-N 3.23Å; K813-F815 VanDerWaalsContact C-N 3.34Å; K813-I816 PolarHBondContact O-N 3.35Å; K813-G817 CarbonylContact O-C 3.54Å; K813-G817 VanDerWaalsContact O-CA 3.24Å; K813-G817 WeakPolarHBondContact O-CA 3.3Å; K813-G817 PolarHBondContact O-N 2.76Å; K813-N818 WeakPolarHBondContact CB-OD1 3.02Å; K813-T821 HydrophobicContact CG-CG2 3.96Å
814	L	71.5	Confident	79.4	Confident	44 Å²	44	29.1 Å²	29.1	23%	0.23	17%	0.17	C	C	.	.	H	α-helix	trans	-66.3	-36	174.8	-172.2	69.5	0	0	0	112.1	V323 L460 I651 D810 F812	V323-L814 WeakPolarHBondContact CG2-O 3.27Å; L460-L814 HydrophobicContact CD2-CD1 4.33Å; I651-L814 HydrophobicContact CD1-CD2 3.64Å; I651-L814 HydrophobicContact CG1-CD2 4.09Å; D810-L814 WeakPolarHBondContact O-CB 2.97Å; D810-L814 PolarHBondContact O-N 2.94Å; F812-L814 VanDerWaalsContact C-N 3.3Å; F812-L814 PolarHBondContact O-N 2.84Å
815	F	69.7	Low	79.4	Confident	23 Å²	23	28 Å²	28	10%	0.101	16%	0.163	C	C	.	.	H	α-helix	trans	-69.9	-35.5	177.4	-178	-94.4	0	0	0	112.9	H322 R730 M731 F734 E811 F812 K813	H322-F815 WeakPolarHBondContact CB-O 3.43Å; H322-F815 PolarHBondContact CD2-O 3Å; H322-F815 VanDerWaalsContact CG-O 3.26Å; R730-F815 HydrophobicContact CG-CZ 4.39Å; M731-F815 HydrophobicContact CG-CE1 4.08Å; F734-F815 HydrophobicContact CB-CE1 3.86Å; F734-F815 HydrophobicContact CB-CE2 4.02Å; F734-F815 HydrophobicContact CB-CZ 3.46Å; F734-F815 VanDerWaalsContact CB-CZ 3.46Å; F734-F815 AromaticContact CD1-CD1 4Å; F734-F815 HydrophobicContact CD1-CD1 4Å; F734-F815 AromaticContact CD1-CE1 3.84Å; F734-F815 HydrophobicContact CD1-CE1 3.84Å; F734-F815 HydrophobicContact CD1-CG 4.49Å; F734-F815 HydrophobicContact CD1-CZ 4.2Å; F734-F815 HydrophobicContact CD2-CD1 4.42Å; F734-F815 AromaticContact CD2-CD2 3.84Å; F734-F815 HydrophobicContact CD2-CD2 3.84Å; F734-F815 HydrophobicContact CD2-CE1 4.28Å; F734-F815 AromaticContact CD2-CE2 3.68Å; F734-F815 HydrophobicContact CD2-CE2 3.68Å; F734-F815 HydrophobicContact CD2-CG 4.21Å; F734-F815 AromaticContact CD2-CZ 3.92Å; F734-F815 HydrophobicContact CD2-CZ 3.92Å; F734-F815 HydrophobicContact CE1-CD1 4.19Å; F734-F815 HydrophobicContact CE1-CE1 4.49Å; F734-F815 HydrophobicContact CE1-CG 4.44Å; F734-F815 AromaticContact CE2-CD2 4Å; F734-F815 HydrophobicContact CE2-CD2 4Å; F734-F815 HydrophobicContact CE2-CE2 4.31Å; F734-F815 HydrophobicContact CE2-CG 4.14Å; F734-F815 HydrophobicContact CG-CD1 4.13Å; F734-F815 HydrophobicContact CG-CD2 4.27Å; F734-F815 AromaticContact CG-CE1 3.72Å; F734-F815 HydrophobicContact CG-CE1 3.72Å; F734-F815 AromaticContact CG-CE2 3.88Å; F734-F815 HydrophobicContact CG-CE2 3.88Å; F734-F815 HydrophobicContact CG-CG 4.38Å; F734-F815 AromaticContact CG-CZ 3.59Å; F734-F815 HydrophobicContact CG-CZ 3.59Å; F734-F815 HydrophobicContact CZ-CD1 4.47Å; F734-F815 HydrophobicContact CZ-CG 4.26Å; E811-F815 WeakPolarHBondContact O-CB 3.3Å; E811-F815 PolarHBondContact O-N 3.29Å; F812-F815 PolarHBondContact O-N 3.18Å; F812-F815 VanDerWaalsContact O-N 3.13Å; K813-F815 VanDerWaalsContact C-N 3.34Å
816	I	72	Confident	79.4	Confident	3 Å²	3	28.3 Å²	28.3	2%	0.015	17%	0.165	C	C	.	.	H	α-helix	trans	-90.9	-26.8	-180	-64.1	-172.3	0	0	0	112.5	H322 F718 M731 F812 K813	H322-I816 PolarHBondContact CD2-O 3.24Å; H322-I816 VanDerWaalsContact CD2-O 3.29Å; H322-I816 PolarHBondContact NE2-O 3.47Å; F718-I816 HydrophobicContact CD1-CD1 4.43Å; F718-I816 HydrophobicContact CD1-CG2 3.98Å; F718-I816 HydrophobicContact CD2-CD1 3.75Å; F718-I816 HydrophobicContact CE1-CD1 4.28Å; F718-I816 HydrophobicContact CE1-CG2 4.39Å; F718-I816 HydrophobicContact CE2-CD1 3.55Å; F718-I816 HydrophobicContact CG-CD1 4.18Å; F718-I816 HydrophobicContact CG-CG2 4.17Å; F718-I816 HydrophobicContact CZ-CD1 3.83Å; M731-I816 HydrophobicContact CE-CB 4.35Å; M731-I816 HydrophobicContact CE-CD1 4.22Å; M731-I816 HydrophobicContact CE-CG1 3.77Å; M731-I816 HydrophobicContact CE-CG2 4.22Å; M731-I816 HydrophobicContact SD-CD1 4.43Å; M731-I816 HydrophobicContact SD-CG1 4.4Å; F812-I816 HydrophobicContact CD1-CD1 3.86Å; F812-I816 HydrophobicContact CE1-CD1 3.26Å; F812-I816 HydrophobicContact CE1-CG1 4.33Å; F812-I816 HydrophobicContact CE2-CD1 4.06Å; F812-I816 HydrophobicContact CG-CD1 4.48Å; F812-I816 HydrophobicContact CZ-CD1 3.39Å; F812-I816 HydrophobicContact CZ-CG1 4.38Å; F812-I816 PolarHBondContact O-N 2.78Å; K813-I816 PolarHBondContact O-N 3.35Å
817	G	72.8	Confident	79.6	Confident	3 Å²	3	29 Å²	29	3%	0.031	17%	0.168	C	C	.	.			trans	101.2	135.8	-167.1	0	0	0	0	0	111.1	V323 K813 T821	V323-G817 VanDerWaalsContact CG2-CA 3.48Å; K813-G817 CarbonylContact O-C 3.54Å; K813-G817 VanDerWaalsContact O-CA 3.24Å; K813-G817 WeakPolarHBondContact O-CA 3.3Å; K813-G817 PolarHBondContact O-N 2.76Å; G817-T821 VanDerWaalsContact O-CB 3.24Å; G817-T821 WeakPolarHBondContact O-CB 3.35Å; G817-T821 PolarHBondContact O-N 3.45Å; G817-T821 PolarHBondContact O-OG1 3.46Å
818	N	76.7	Confident	80.1	Confident	46 Å²	46	27.4 Å²	27.4	25%	0.246	16%	0.16	C	C	.	.	H	α-helix	trans	-64.3	-42.5	-178.8	-76.8	-43.5	0	0	0	111.7	K813 T821 T822	K813-N818 WeakPolarHBondContact CB-OD1 3.02Å; N818-T821 PolarHBondContact O-N 3.04Å; N818-T822 VanDerWaalsContact O-CB 3.3Å; N818-T822 WeakPolarHBondContact O-CB 3.43Å; N818-T822 PolarHBondContact O-N 3.29Å; N818-T822 PolarHBondContact O-OG1 3.5Å
819	D	74.7	Confident	80.5	Confident	83 Å²	83	26.1 Å²	26.1	44%	0.444	15%	0.153	S	C	.	.	H	α-helix	trans	-63.2	-52.4	178.3	-74.2	5.8	0	0	0	110.7	K455 T821 T822 A823	K455-D819 WeakPolarHBondContact CE-OD2 3.21Å; K455-D819 IonicContact NZ-OD2 2.74Å; K455-D819 PolarHBondContact NZ-OD2 3.13Å; D819-T821 VanDerWaalsContact C-N 3.31Å; D819-T821 PolarHBondContact O-N 3.37Å; D819-T822 PolarHBondContact O-N 2.83Å; D819-A823 WeakPolarHBondContact O-CB 3.11Å; D819-A823 PolarHBondContact O-N 3.43Å
820	S	77.7	Confident	81	Confident	59 Å²	59	28.1 Å²	28.1	41%	0.413	16%	0.162	S	C	.	.	H	α-helix	trans	-58.6	-41.2	176.8	-59	0	0	0	0	112.4	G824	S820-G824 PolarHBondContact O-N 3.38Å
821	T	83.7	Confident	81.9	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66.1	-44.9	178.4	-58.6	0	0	0	0	111.2	F718 L805 L808 K813 G817 N818 D819 G824 V825	F718-T821 HydrophobicContact CE1-CG2 4.32Å; L805-T821 HydrophobicContact CD1-CG2 4.23Å; L808-T821 HydrophobicContact CD1-CG2 3.35Å; K813-T821 HydrophobicContact CG-CG2 3.96Å; G817-T821 VanDerWaalsContact O-CB 3.24Å; G817-T821 WeakPolarHBondContact O-CB 3.35Å; G817-T821 PolarHBondContact O-N 3.45Å; G817-T821 PolarHBondContact O-OG1 3.46Å; N818-T821 PolarHBondContact O-N 3.04Å; D819-T821 VanDerWaalsContact C-N 3.31Å; D819-T821 PolarHBondContact O-N 3.37Å; T821-G824 PolarHBondContact O-N 2.85Å; T821-V825 HydrophobicContact CG2-CG2 4.41Å; T821-V825 WeakPolarHBondContact O-CB 3.24Å; T821-V825 WeakPolarHBondContact O-CG2 3.24Å; T821-V825 PolarHBondContact O-N 3.05Å
822	T	85.4	Confident	82.9	Confident	17 Å²	17	24.9 Å²	24.9	10%	0.104	15%	0.145	C	C	.	.	H	α-helix	trans	-62.6	-49.1	177.5	-59.2	0	0	0	0	110.2	T231 A235 N818 D819 G824 V825 C826	T231-T822 HydrophobicContact CG2-CG2 3.55Å; T231-T822 WeakPolarHBondContact CG2-OG1 3.36Å; A235-T822 HydrophobicContact CB-CG2 4.36Å; N818-T822 VanDerWaalsContact O-CB 3.3Å; N818-T822 WeakPolarHBondContact O-CB 3.43Å; N818-T822 PolarHBondContact O-N 3.29Å; N818-T822 PolarHBondContact O-OG1 3.5Å; D819-T822 PolarHBondContact O-N 2.83Å; T822-G824 PolarHBondContact O-N 3.1Å; T822-V825 PolarHBondContact O-N 3.17Å; T822-C826 WeakPolarHBondContact O-CB 3.37Å; T822-C826 PolarHBondContact O-N 3.18Å; T822-C826 PolarHBondContact O-SG 3.13Å
823	A	84.6	Confident	83.7	Confident	62 Å²	62	26 Å²	26	51%	0.512	15%	0.151	S	C	.	.	H	α-helix	trans	-58.1	-46.9	178.1	0	0	0	0	0	112	D819 C826 M827	D819-A823 WeakPolarHBondContact O-CB 3.11Å; D819-A823 PolarHBondContact O-N 3.43Å; A823-C826 PolarHBondContact O-N 2.91Å; A823-M827 WeakPolarHBondContact O-CB 3.24Å; A823-M827 PolarHBondContact O-N 3.44Å
824	G	87.6	Confident	84.4	Confident	4 Å²	4	27.2 Å²	27.2	4%	0.041	16%	0.156	C	C	.	.	H	α-helix	trans	-64	-47.4	179	0	0	0	0	0	113.1	I717 S820 T821 T822 C826 M827 V828	I717-G824 WeakPolarHBondContact O-CA 3.48Å; S820-G824 PolarHBondContact O-N 3.38Å; T821-G824 PolarHBondContact O-N 2.85Å; T822-G824 PolarHBondContact O-N 3.1Å; G824-C826 VanDerWaalsContact C-N 3.33Å; G824-C826 PolarHBondContact O-N 2.9Å; G824-M827 PolarHBondContact O-N 3.04Å; G824-V828 WeakPolarHBondContact O-CG2 3.45Å; G824-V828 PolarHBondContact O-N 2.81Å; G824-V828 VanDerWaalsContact O-N 3.13Å
825	V	89.2	Confident	85.4	Confident	12 Å²	12	29.2 Å²	29.2	7%	0.073	17%	0.165	C	C	.	.	H	α-helix	trans	-63.4	-41.1	176.5	170.8	0	0	0	0	111.1	T804 L805 L808 T821 T822 V828 F829	T804-V825 HydrophobicContact CG2-CG1 3.79Å; L805-V825 HydrophobicContact CB-CG1 4.32Å; L805-V825 HydrophobicContact CD1-CB 4.28Å; L805-V825 HydrophobicContact CD1-CG1 4.44Å; L805-V825 HydrophobicContact CD1-CG2 4.19Å; L808-V825 HydrophobicContact CD1-CG2 3.62Å; T821-V825 HydrophobicContact CG2-CG2 4.41Å; T821-V825 WeakPolarHBondContact O-CB 3.24Å; T821-V825 WeakPolarHBondContact O-CG2 3.24Å; T821-V825 PolarHBondContact O-N 3.05Å; T822-V825 PolarHBondContact O-N 3.17Å; V825-V828 PolarHBondContact O-N 2.89Å; V825-F829 WeakPolarHBondContact O-CB 3.44Å; V825-F829 PolarHBondContact O-N 3.35Å
826	C	88.5	Confident	86.6	Confident	9 Å²	9	28.6 Å²	28.6	6%	0.061	16%	0.163	C	C	.	.	H	α-helix	trans	-65.1	-40.7	177.8	-68.9	0	0	0	0	111.5	R801 T822 A823 G824 V828 F829 E830	R801-C826 PolarHBondContact NE-SG 2.84Å; R801-C826 PolarHBondContact NH2-SG 2.77Å; T822-C826 WeakPolarHBondContact O-CB 3.37Å; T822-C826 PolarHBondContact O-N 3.18Å; T822-C826 PolarHBondContact O-SG 3.13Å; A823-C826 PolarHBondContact O-N 2.91Å; G824-C826 VanDerWaalsContact C-N 3.33Å; G824-C826 PolarHBondContact O-N 2.9Å; C826-V828 PolarHBondContact O-N 3.36Å; C826-F829 PolarHBondContact O-N 3.41Å; C826-E830 VanDerWaalsContact O-CB 3.23Å; C826-E830 WeakPolarHBondContact O-CB 3.5Å; C826-E830 PolarHBondContact O-N 3.42Å
827	M	90.6	Very high	87.7	Confident	19 Å²	19	28.4 Å²	28.4	9%	0.094	16%	0.162	C	C	.	.	H	α-helix	trans	-60.6	-43.6	175.5	177.4	-159.9	70.4	0	0	111.9	F110 R111 E716 A823 G824 F829 E830 A831	F110-M827 HydrophobicContact CD1-CG 3.92Å; F110-M827 HydrophobicContact CE1-CG 4.03Å; R111-M827 HydrophobicContact CB-SD 3.84Å; R111-M827 HydrophobicContact CG-SD 3.83Å; E716-M827 WeakPolarHBondContact O-CE 3.19Å; A823-M827 WeakPolarHBondContact O-CB 3.24Å; A823-M827 PolarHBondContact O-N 3.44Å; G824-M827 PolarHBondContact O-N 3.04Å; M827-F829 VanDerWaalsContact C-N 3.29Å; M827-F829 PolarHBondContact O-N 2.82Å; M827-E830 PolarHBondContact O-N 3.37Å; M827-A831 WeakPolarHBondContact O-CB 3.47Å; M827-A831 PolarHBondContact O-N 3.05Å
828	V	92.4	Very high	88.8	Confident	22 Å²	22	28.7 Å²	28.7	13%	0.133	16%	0.163	C	C	.	.	H	α-helix	trans	-60.1	-44.7	175.1	174.5	0	0	0	0	110.5	F103 L107 I717 G824 V825 C826 L832	F103-V828 HydrophobicContact CZ-CG1 4.19Å; L107-V828 HydrophobicContact CD1-CG2 3.98Å; L107-V828 HydrophobicContact CD2-CB 4.41Å; L107-V828 HydrophobicContact CD2-CG1 4.33Å; L107-V828 HydrophobicContact CD2-CG2 4.09Å; I717-V828 HydrophobicContact CB-CG2 4.39Å; I717-V828 HydrophobicContact CD1-CG2 4.06Å; I717-V828 HydrophobicContact CG1-CG2 3.67Å; I717-V828 HydrophobicContact CG2-CG2 4.01Å; G824-V828 WeakPolarHBondContact O-CG2 3.45Å; G824-V828 PolarHBondContact O-N 2.81Å; G824-V828 VanDerWaalsContact O-N 3.13Å; V825-V828 PolarHBondContact O-N 2.89Å; C826-V828 PolarHBondContact O-N 3.36Å; V828-L832 WeakPolarHBondContact O-CG 3.39Å; V828-L832 PolarHBondContact O-N 2.89Å
829	F	91.1	Very high	89.7	Confident	10 Å²	10	27.1 Å²	27.1	4%	0.044	15%	0.153	C	C	.	.	H	α-helix	trans	-68.2	-38.9	-178.3	-169.9	-91.1	0	0	0	112.5	R797 A800 R801 V825 C826 M827 L832 Q833	R797-F829 HydrophobicContact CG-CE1 3.36Å; R797-F829 HydrophobicContact CG-CZ 3.52Å; R797-F829 WeakPolarHBondContact O-CZ 3.11Å; A800-F829 HydrophobicContact CB-CE2 3.85Å; A800-F829 HydrophobicContact CB-CZ 4.14Å; R801-F829 HydrophobicContact CB-CD1 4.09Å; R801-F829 HydrophobicContact CB-CD2 4.26Å; R801-F829 HydrophobicContact CB-CE1 3.93Å; R801-F829 HydrophobicContact CB-CE2 4.1Å; R801-F829 HydrophobicContact CB-CG 4.24Å; R801-F829 HydrophobicContact CB-CZ 3.92Å; R801-F829 HydrophobicContact CG-CD1 4.01Å; R801-F829 HydrophobicContact CG-CE1 4.31Å; R801-F829 HydrophobicContact CG-CG 4.12Å; V825-F829 WeakPolarHBondContact O-CB 3.44Å; V825-F829 PolarHBondContact O-N 3.35Å; C826-F829 PolarHBondContact O-N 3.41Å; M827-F829 VanDerWaalsContact C-N 3.29Å; M827-F829 PolarHBondContact O-N 2.82Å; F829-L832 WeakPolarHBondContact O-CB 3.38Å; F829-L832 PolarHBondContact O-N 3.44Å; F829-Q833 HydrophobicContact CD1-CG 4.32Å; F829-Q833 HydrophobicContact CE1-CG 4.22Å; F829-Q833 WeakPolarHBondContact O-CG 3.41Å; F829-Q833 PolarHBondContact O-N 3.19Å; F829-Q833 PolarHBondContact O-NE2 2.95Å
830	E	90.4	Very high	90.6	Very high	54 Å²	54	23.2 Å²	23.2	25%	0.252	13%	0.132	S	C	.	.	H	α-helix	trans	-65.1	-43.4	176.4	-170.1	-174	157.1	0	0	111.6	F110 K114 C826 M827 L832 Q833 H834	F110-E830 HydrophobicContact CE1-CB 4.27Å; F110-E830 HydrophobicContact CE1-CG 4.32Å; F110-E830 HydrophobicContact CZ-CB 4.2Å; F110-E830 HydrophobicContact CZ-CG 3.85Å; K114-E830 WeakPolarHBondContact CE-OE1 3.49Å; K114-E830 WeakPolarHBondContact CE-OE2 3.43Å; K114-E830 IonicContact NZ-OE1 3.69Å; K114-E830 PolarHBondContact NZ-OE1 3.49Å; K114-E830 IonicContact NZ-OE2 2.9Å; K114-E830 PolarHBondContact NZ-OE2 3.18Å; C826-E830 VanDerWaalsContact O-CB 3.23Å; C826-E830 WeakPolarHBondContact O-CB 3.5Å; C826-E830 PolarHBondContact O-N 3.42Å; M827-E830 PolarHBondContact O-N 3.37Å; E830-L832 PolarHBondContact O-N 3Å; E830-Q833 WeakPolarHBondContact O-CB 3.3Å; E830-Q833 PolarHBondContact O-N 3.42Å; E830-H834 PolarHBondContact O-CD2 2.94Å; E830-H834 VanDerWaalsContact O-CD2 3.32Å
831	A	93.4	Very high	91.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-53.9	-38.5	173	0	0	0	0	0	111.8	L107 F110 M827 Q833	L107-A831 HydrophobicContact CD2-CB 4.31Å; F110-A831 HydrophobicContact CB-CB 4.12Å; F110-A831 HydrophobicContact CD1-CB 3.61Å; F110-A831 HydrophobicContact CD2-CB 3.97Å; F110-A831 HydrophobicContact CE1-CB 3.96Å; F110-A831 HydrophobicContact CE2-CB 4.29Å; F110-A831 HydrophobicContact CG-CB 3.6Å; F110-A831 HydrophobicContact CZ-CB 4.29Å; M827-A831 WeakPolarHBondContact O-CB 3.47Å; M827-A831 PolarHBondContact O-N 3.05Å; A831-Q833 VanDerWaalsContact C-N 3.27Å; A831-Q833 PolarHBondContact O-N 3.18Å
832	L	94.6	Very high	91.9	Very high	31 Å²	31	22.2 Å²	22.2	16%	0.162	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-7	178.4	-64	173.2	0	0	0	114.2	I211 V828 F829 E830 H834 N838	I211-L832 HydrophobicContact CG2-CB 4.5Å; V828-L832 WeakPolarHBondContact O-CG 3.39Å; V828-L832 PolarHBondContact O-N 2.89Å; F829-L832 WeakPolarHBondContact O-CB 3.38Å; F829-L832 PolarHBondContact O-N 3.44Å; E830-L832 PolarHBondContact O-N 3Å; L832-H834 VanDerWaalsContact C-N 3.33Å; L832-N838 WeakPolarHBondContact CA-OD1 3.28Å; L832-N838 PolarHBondContact O-ND2 3.46Å
833	Q	92.7	Very high	92.2	Very high	41 Å²	41	21.4 Å²	21.4	19%	0.192	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-7.6	175.2	-59.1	-42.8	-69	0	0	113.4	P208 R797 F829 E830 A831	P208-Q833 WeakPolarHBondContact CG-O 3.46Å; R797-Q833 VanDerWaalsContact NE-OE1 3.13Å; F829-Q833 HydrophobicContact CD1-CG 4.32Å; F829-Q833 HydrophobicContact CE1-CG 4.22Å; F829-Q833 WeakPolarHBondContact O-CG 3.41Å; F829-Q833 PolarHBondContact O-N 3.19Å; F829-Q833 PolarHBondContact O-NE2 2.95Å; E830-Q833 WeakPolarHBondContact O-CB 3.3Å; E830-Q833 PolarHBondContact O-N 3.42Å; A831-Q833 VanDerWaalsContact C-N 3.27Å; A831-Q833 PolarHBondContact O-N 3.18Å
834	H	93.3	Very high	92.5	Very high	29 Å²	29	18.7 Å²	18.7	13%	0.134	10%	0.095	C	C	.	.			trans	-99	110.3	178.7	-66.4	-88.2	0	0	0	111.5	F110 E133 E830 L832 C836 L837 N838	F110-H834 AromaticContact CE2-CD2 3.87Å; E133-H834 IonicContact OE1-ND1 2.65Å; E133-H834 PolarHBondContact OE1-ND1 2.65Å; E830-H834 PolarHBondContact O-CD2 2.94Å; E830-H834 VanDerWaalsContact O-CD2 3.32Å; L832-H834 VanDerWaalsContact C-N 3.33Å; H834-C836 VanDerWaalsContact C-N 3.31Å; H834-C836 PolarHBondContact O-N 3.43Å; H834-L837 HydrophobicContact CB-CB 3.88Å; H834-L837 HydrophobicContact CB-CD1 3.68Å; H834-L837 HydrophobicContact CB-CG 3.51Å; H834-L837 PolarHBondContact O-N 3.22Å; H834-L837 VanDerWaalsContact O-N 3.09Å; H834-N838 VanDerWaalsContact O-CG 3.29Å; H834-N838 PolarHBondContact O-N 3.14Å; H834-N838 PolarHBondContact O-ND2 3.38Å
835	E	93.6	Very high	92.8	Very high	87 Å²	87	21.1 Å²	21.1	41%	0.407	11%	0.107	S	C	.	.	H	α-helix	trans	-58	-40.8	-177.4	-167.4	-168.1	146.3	0	0	112.4	C206 L837 N838 R839	C206-E835 HydrophobicContact CB-CG 4.19Å; E835-L837 VanDerWaalsContact C-N 3.31Å; E835-L837 PolarHBondContact O-N 2.93Å; E835-N838 PolarHBondContact O-N 2.96Å; E835-R839 VanDerWaalsContact O-CB 3.26Å; E835-R839 WeakPolarHBondContact O-CB 3.38Å; E835-R839 PolarHBondContact O-N 3.46Å; E835-R839 IonicContact OE1-CZ 3.33Å; E835-R839 IonicContact OE1-NH2 3.44Å; E835-R839 PolarHBondContact OE1-NH2 3.08Å
836	C	93.5	Very high	92.8	Very high	9 Å²	9	22.3 Å²	22.3	6%	0.061	11%	0.113	C	C	.	.	H	α-helix	trans	-67.4	-32	179.6	67.8	0	0	0	0	112.6	E133 F137 S153 M154 H834 R840	E133-C836 VanDerWaalsContact CG-SG 3.55Å; E133-C836 PolarHBondContact OE1-SG 2.92Å; E133-C836 PolarHBondContact OE2-SG 3.46Å; E133-C836 VanDerWaalsContact OE2-SG 3.41Å; F137-C836 HydrophobicContact CE2-CB 4.5Å; S153-C836 VanDerWaalsContact CB-O 3.29Å; S153-C836 WeakPolarHBondContact CB-O 3.24Å; S153-C836 PolarHBondContact OG-O 3.46Å; M154-C836 HydrophobicContact CG-CB 4.33Å; H834-C836 VanDerWaalsContact C-N 3.31Å; H834-C836 PolarHBondContact O-N 3.43Å; C836-R840 PolarHBondContact O-N 2.91Å
837	L	95.2	Very high	92.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-74.3	-44.3	177.3	-56.4	-167.6	0	0	0	110	H106 F110 F136 F137 H834 E835 R839 R840 L841	H106-L837 PolarHBondContact CE1-O 2.87Å; F110-L837 HydrophobicContact CD2-CD1 3.55Å; F110-L837 HydrophobicContact CE2-CD1 3.92Å; F136-L837 HydrophobicContact CB-CD2 3.85Å; F136-L837 HydrophobicContact CD1-CD2 3.34Å; F136-L837 HydrophobicContact CD2-CD1 3.84Å; F136-L837 HydrophobicContact CD2-CD2 3.74Å; F136-L837 HydrophobicContact CD2-CG 4.4Å; F136-L837 HydrophobicContact CE1-CD2 3.78Å; F136-L837 HydrophobicContact CE2-CD1 4.23Å; F136-L837 HydrophobicContact CE2-CD2 4.11Å; F136-L837 HydrophobicContact CG-CD1 4.22Å; F136-L837 HydrophobicContact CG-CD2 3.34Å; F136-L837 HydrophobicContact CG-CG 4.42Å; F136-L837 HydrophobicContact CZ-CD2 4.15Å; F137-L837 HydrophobicContact CE2-CD2 4.15Å; F137-L837 HydrophobicContact CZ-CD2 4.23Å; H834-L837 HydrophobicContact CB-CB 3.88Å; H834-L837 HydrophobicContact CB-CD1 3.68Å; H834-L837 HydrophobicContact CB-CG 3.51Å; H834-L837 PolarHBondContact O-N 3.22Å; H834-L837 VanDerWaalsContact O-N 3.09Å; E835-L837 VanDerWaalsContact C-N 3.31Å; E835-L837 PolarHBondContact O-N 2.93Å; L837-R839 VanDerWaalsContact C-N 3.25Å; L837-R839 PolarHBondContact O-N 3.39Å; L837-R840 WeakPolarHBondContact O-CB 3.11Å; L837-R840 PolarHBondContact O-N 3.31Å; L837-R840 VanDerWaalsContact O-N 3.13Å; L837-L841 PolarHBondContact O-N 3.13Å
838	N	96.1	Very high	92.7	Very high	8 Å²	8	21.7 Å²	21.7	4%	0.043	11%	0.109	C	C	.	.	H	α-helix	trans	-57.1	-41.5	171.2	-64.6	-26.7	0	0	0	111.4	C206 I211 L832 H834 E835 L841 C842	C206-N838 HydrophobicContact CB-CB 3.91Å; C206-N838 PolarHBondContact O-ND2 2.91Å; I211-N838 HydrophobicContact CD1-CB 4.28Å; I211-N838 VanDerWaalsContact CD1-ND2 3.25Å; I211-N838 WeakPolarHBondContact CD1-ND2 3.26Å; L832-N838 WeakPolarHBondContact CA-OD1 3.28Å; L832-N838 PolarHBondContact O-ND2 3.46Å; H834-N838 VanDerWaalsContact O-CG 3.29Å; H834-N838 PolarHBondContact O-N 3.14Å; H834-N838 PolarHBondContact O-ND2 3.38Å; E835-N838 PolarHBondContact O-N 2.96Å; N838-L841 PolarHBondContact O-N 3.41Å; N838-C842 WeakPolarHBondContact O-CB 3.37Å; N838-C842 PolarHBondContact O-N 3.31Å
839	R	94.9	Very high	92.6	Very high	13 Å²	13	23.6 Å²	23.6	5%	0.049	12%	0.117	C	C	.	.	H	α-helix	trans	-61.9	-44.6	175.5	-168.2	172.8	-58.8	-91.4	1.4	111.7	E159 V202 N203 C206 E835 L837 L841 C842 Y843	E159-R839 VanDerWaalsContact CD-NH1 3.3Å; E159-R839 IonicContact OE1-CZ 2.85Å; E159-R839 IonicContact OE1-NH1 2.72Å; E159-R839 PolarHBondContact OE1-NH1 2.92Å; E159-R839 IonicContact OE2-NH1 3.14Å; E159-R839 PolarHBondContact OE2-NH1 3.18Å; V202-R839 HydrophobicContact CG1-CG 3.97Å; N203-R839 PolarHBondContact OD1-NH1 3.34Å; N203-R839 PolarHBondContact OD1-NH2 3.49Å; C206-R839 HydrophobicContact CB-CB 4.35Å; C206-R839 WeakPolarHBondContact SG-CA 3.31Å; E835-R839 VanDerWaalsContact O-CB 3.26Å; E835-R839 WeakPolarHBondContact O-CB 3.38Å; E835-R839 PolarHBondContact O-N 3.46Å; E835-R839 IonicContact OE1-CZ 3.33Å; E835-R839 IonicContact OE1-NH2 3.44Å; E835-R839 PolarHBondContact OE1-NH2 3.08Å; L837-R839 VanDerWaalsContact C-N 3.25Å; L837-R839 PolarHBondContact O-N 3.39Å; R839-L841 PolarHBondContact O-N 3.42Å; R839-C842 WeakPolarHBondContact O-CB 3.42Å; R839-C842 PolarHBondContact O-N 3.21Å; R839-Y843 HydrophobicContact CG-CD2 3.81Å; R839-Y843 HydrophobicContact CG-CE2 3.57Å; R839-Y843 WeakPolarHBondContact O-CD2 3.45Å; R839-Y843 PolarHBondContact O-N 3.1Å
840	R	93.7	Very high	92.3	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.008	12%	0.118	C	C	.	.	H	α-helix	trans	-56.6	-50.7	172.6	178.4	-89.3	-176.7	-155.5	-3.8	110.8	F136 F137 E140 E144 R149 S153 C836 L837 C842 Y843 V844	F136-R840 HydrophobicContact CE1-CG 4.31Å; F137-R840 HydrophobicContact CE1-CB 4.09Å; F137-R840 HydrophobicContact CE1-CG 4.11Å; F137-R840 HydrophobicContact CZ-CB 4.28Å; E140-R840 IonicContact OE1-CZ 3.93Å; E140-R840 IonicContact OE1-NE 3.27Å; E140-R840 PolarHBondContact OE1-NE 2.92Å; E140-R840 IonicContact OE1-NH2 3.74Å; E140-R840 PolarHBondContact OE1-NH2 3.29Å; E144-R840 IonicContact OE1-NH2 3.88Å; E144-R840 PolarHBondContact OE1-NH2 2.85Å; R149-R840 HydrophobicContact CB-CG 4.08Å; S153-R840 WeakPolarHBondContact OG-CA 3.44Å; S153-R840 WeakPolarHBondContact OG-CB 3.37Å; S153-R840 PolarHBondContact OG-N 3.01Å; C836-R840 PolarHBondContact O-N 2.91Å; L837-R840 WeakPolarHBondContact O-CB 3.11Å; L837-R840 PolarHBondContact O-N 3.31Å; L837-R840 VanDerWaalsContact O-N 3.13Å; R840-C842 VanDerWaalsContact C-N 3.35Å; R840-C842 PolarHBondContact O-N 3.35Å; R840-Y843 PolarHBondContact O-N 3.46Å; R840-V844 WeakPolarHBondContact O-CG2 3.32Å; R840-V844 PolarHBondContact O-N 3.45Å
841	L	94.9	Very high	92	Very high	18 Å²	18	22.9 Å²	22.9	9%	0.094	12%	0.117	C	C	.	.	H	α-helix	trans	-60	-45.5	-180	178.6	60.3	0	0	0	111.2	F103 H106 L837 N838 R839 Y843 V844 L845	F103-L841 HydrophobicContact CD2-CD2 3.93Å; F103-L841 HydrophobicContact CE2-CD2 4.28Å; H106-L841 HydrophobicContact CB-CD1 4.13Å; L837-L841 PolarHBondContact O-N 3.13Å; N838-L841 PolarHBondContact O-N 3.41Å; R839-L841 PolarHBondContact O-N 3.42Å; L841-Y843 PolarHBondContact O-N 2.92Å; L841-V844 PolarHBondContact O-N 2.91Å; L841-L845 HydrophobicContact CD1-CD1 4.23Å; L841-L845 HydrophobicContact CD1-CG 4.22Å; L841-L845 HydrophobicContact CG-CD1 4.12Å; L841-L845 VanDerWaalsContact O-CG 3.28Å; L841-L845 WeakPolarHBondContact O-CG 3.31Å; L841-L845 PolarHBondContact O-N 2.95Å
842	C	94.6	Very high	91.8	Very high	19 Å²	19	24.3 Å²	24.3	13%	0.128	13%	0.127	C	C	.	.	H	α-helix	trans	-55.9	-47.3	177	177.7	0	0	0	0	112.3	I205 N838 R839 R840 L845 L846	I205-C842 HydrophobicContact CD1-CB 4.26Å; I205-C842 WeakPolarHBondContact CD1-SG 3.24Å; N838-C842 WeakPolarHBondContact O-CB 3.37Å; N838-C842 PolarHBondContact O-N 3.31Å; R839-C842 WeakPolarHBondContact O-CB 3.42Å; R839-C842 PolarHBondContact O-N 3.21Å; R840-C842 VanDerWaalsContact C-N 3.35Å; R840-C842 PolarHBondContact O-N 3.35Å; C842-L845 PolarHBondContact O-N 3.22Å; C842-L846 WeakPolarHBondContact O-CB 3.28Å; C842-L846 PolarHBondContact O-N 2.79Å
843	Y	91.4	Very high	91.4	Very high	1 Å²	1	23.2 Å²	23.2	0%	0.004	12%	0.122	C	C	.	.	H	α-helix	trans	-70.4	-35.6	-179.5	-77.6	-64.8	0	0	0	113	L152 E159 F162 L163 V202 R839 R840 L841 L845 L846 E847	L152-Y843 HydrophobicContact CD1-CD2 3.08Å; L152-Y843 HydrophobicContact CD1-CE2 3.64Å; L152-Y843 HydrophobicContact CD1-CG 3.69Å; E159-Y843 HydrophobicContact CG-CE2 4.33Å; E159-Y843 VanDerWaalsContact CG-OH 3.31Å; E159-Y843 WeakPolarHBondContact CG-OH 3.3Å; E159-Y843 PolarHBondContact OE1-OH 3.16Å; F162-Y843 HydrophobicContact CD1-CD1 4.1Å; F162-Y843 AromaticContact CD1-CE1 3.89Å; F162-Y843 HydrophobicContact CD1-CE1 3.89Å; F162-Y843 AromaticContact CE1-CD1 3.45Å; F162-Y843 HydrophobicContact CE1-CD1 3.45Å; F162-Y843 VanDerWaalsContact CE1-CD1 3.45Å; F162-Y843 AromaticContact CE1-CE1 3.6Å; F162-Y843 HydrophobicContact CE1-CE1 3.6Å; F162-Y843 HydrophobicContact CE1-CG 4.23Å; F162-Y843 HydrophobicContact CZ-CD1 4.35Å; L163-Y843 HydrophobicContact CD2-CE1 3.92Å; L163-Y843 WeakPolarHBondContact CD2-OH 3.33Å; V202-Y843 HydrophobicContact CG1-CE2 3.87Å; V202-Y843 HydrophobicContact CG2-CE1 4.16Å; R839-Y843 HydrophobicContact CG-CD2 3.81Å; R839-Y843 HydrophobicContact CG-CE2 3.57Å; R839-Y843 WeakPolarHBondContact O-CD2 3.45Å; R839-Y843 PolarHBondContact O-N 3.1Å; R840-Y843 PolarHBondContact O-N 3.46Å; L841-Y843 PolarHBondContact O-N 2.92Å; Y843-L845 VanDerWaalsContact C-N 3.32Å; Y843-L845 PolarHBondContact O-N 2.99Å; Y843-L846 HydrophobicContact CD1-CD2 4.06Å; Y843-L846 HydrophobicContact CE1-CD2 4.26Å; Y843-L846 PolarHBondContact O-N 2.96Å; Y843-E847 WeakPolarHBondContact O-CB 3.49Å; Y843-E847 WeakPolarHBondContact O-CG 3.27Å; Y843-E847 PolarHBondContact O-N 3.06Å
844	V	91	Very high	90.9	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.024	12%	0.116	C	C	.	.	H	α-helix	trans	-60.2	-43.7	171.5	169.9	0	0	0	0	111.1	D102 R840 L841 L846 E847 R848	D102-V844 HydrophobicContact CB-CG1 3.96Å; R840-V844 WeakPolarHBondContact O-CG2 3.32Å; R840-V844 PolarHBondContact O-N 3.45Å; L841-V844 PolarHBondContact O-N 2.91Å; V844-L846 VanDerWaalsContact C-N 3.34Å; V844-L846 PolarHBondContact O-N 3.03Å; V844-E847 PolarHBondContact O-N 3.38Å; V844-R848 WeakPolarHBondContact O-CB 3.22Å; V844-R848 PolarHBondContact O-N 3.49Å
845	L	93.1	Very high	89.9	Confident	56 Å²	56	25.1 Å²	25.1	29%	0.293	14%	0.138	S	C	.	.	H	α-helix	trans	-67	-35.2	176.3	-65	175.5	0	0	0	112.2	V99 D102 L841 C842 Y843 R848 L849	V99-L845 HydrophobicContact CB-CD2 4.27Å; V99-L845 HydrophobicContact CG1-CD2 3.96Å; V99-L845 HydrophobicContact CG2-CD2 3.95Å; D102-L845 HydrophobicContact CB-CD2 4.2Å; L841-L845 HydrophobicContact CD1-CD1 4.23Å; L841-L845 HydrophobicContact CD1-CG 4.22Å; L841-L845 HydrophobicContact CG-CD1 4.12Å; L841-L845 VanDerWaalsContact O-CG 3.28Å; L841-L845 WeakPolarHBondContact O-CG 3.31Å; L841-L845 PolarHBondContact O-N 2.95Å; C842-L845 PolarHBondContact O-N 3.22Å; Y843-L845 VanDerWaalsContact C-N 3.32Å; Y843-L845 PolarHBondContact O-N 2.99Å; L845-R848 WeakPolarHBondContact O-CB 3.34Å; L845-R848 PolarHBondContact O-N 3.41Å; L845-L849 WeakPolarHBondContact O-CB 3.49Å; L845-L849 PolarHBondContact O-N 3.21Å
846	L	90.2	Very high	88.6	Confident	37 Å²	37	28.3 Å²	28.3	19%	0.194	16%	0.158	C	C	.	.	H	α-helix	trans	-68.3	-43.9	175.6	-177.1	60.4	0	0	0	111.9	L166 I198 C842 Y843 V844 R848 L849 I850	L166-L846 HydrophobicContact CD2-CD2 3.74Å; I198-L846 HydrophobicContact CG2-CD2 3.94Å; C842-L846 WeakPolarHBondContact O-CB 3.28Å; C842-L846 PolarHBondContact O-N 2.79Å; Y843-L846 HydrophobicContact CD1-CD2 4.06Å; Y843-L846 HydrophobicContact CE1-CD2 4.26Å; Y843-L846 PolarHBondContact O-N 2.96Å; V844-L846 VanDerWaalsContact C-N 3.34Å; V844-L846 PolarHBondContact O-N 3.03Å; L846-R848 VanDerWaalsContact C-N 3.33Å; L846-R848 PolarHBondContact O-N 2.87Å; L846-L849 PolarHBondContact O-N 3.5Å; L846-I850 HydrophobicContact CD1-CD1 4.35Å; L846-I850 HydrophobicContact CG-CD1 4.12Å; L846-I850 WeakPolarHBondContact O-CD1 3.4Å; L846-I850 VanDerWaalsContact O-CG1 3.3Å; L846-I850 WeakPolarHBondContact O-CG1 3.33Å; L846-I850 PolarHBondContact O-N 2.94Å
847	E	87	Confident	87	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.009	17%	0.173	C	C	.	.	H	α-helix	trans	-56.5	-48.5	172.7	-72	165.6	-159.7	0	0	110.4	R149 Y843 V844 L849 I850 V851 I864 S865	R149-E847 IonicContact CZ-OE1 2.65Å; R149-E847 IonicContact CZ-OE2 3.7Å; R149-E847 IonicContact NE-OE1 3.97Å; R149-E847 PolarHBondContact NE-OE1 3.1Å; R149-E847 VanDerWaalsContact NE-OE1 3.08Å; R149-E847 IonicContact NE-OE2 3.91Å; R149-E847 IonicContact NH2-OE1 3.72Å; R149-E847 IonicContact NH2-OE2 3.73Å; R149-E847 PolarHBondContact NH2-OE2 3.44Å; Y843-E847 WeakPolarHBondContact O-CB 3.49Å; Y843-E847 WeakPolarHBondContact O-CG 3.27Å; Y843-E847 PolarHBondContact O-N 3.06Å; V844-E847 PolarHBondContact O-N 3.38Å; E847-L849 VanDerWaalsContact C-N 3.35Å; E847-L849 PolarHBondContact O-N 2.88Å; E847-I850 PolarHBondContact O-N 2.81Å; E847-V851 WeakPolarHBondContact O-CG2 3.38Å; E847-V851 PolarHBondContact O-N 3.06Å; E847-V851 VanDerWaalsContact O-N 3.08Å; E847-I864 HydrophobicContact CG-CB 4.43Å; E847-I864 HydrophobicContact CG-CG2 3.79Å; E847-S865 PolarHBondContact OE2-OG 3.43Å
848	R	88.8	Confident	85.1	Confident	13 Å²	13	40 Å²	40	5%	0.049	21%	0.212	C	C	.	.	H	α-helix	trans	-56.4	-49.1	176	-175.1	75.2	74.9	140.9	8.9	111.2	D98 D102 R692 V844 L845 L846 I850 V851 S852	D98-R848 HydrophobicContact CB-CG 4.25Å; D98-R848 VanDerWaalsContact CB-CZ 3.41Å; D98-R848 PolarHBondContact O-NH2 2.79Å; D98-R848 IonicContact OD1-CZ 2.66Å; D98-R848 IonicContact OD1-NH1 3.88Å; D98-R848 PolarHBondContact OD1-NH1 3.17Å; D98-R848 IonicContact OD2-NH1 2.93Å; D102-R848 IonicContact OD1-CZ 3Å; D102-R848 IonicContact OD1-NE 2.61Å; D102-R848 IonicContact OD1-NH2 2.75Å; D102-R848 PolarHBondContact OD1-NH2 3.12Å; D102-R848 IonicContact OD2-CZ 3.3Å; D102-R848 VanDerWaalsContact OD2-CZ 3.29Å; D102-R848 IonicContact OD2-NE 2.88Å; D102-R848 PolarHBondContact OD2-NE 3.34Å; D102-R848 IonicContact OD2-NH2 2.87Å; D102-R848 PolarHBondContact OD2-NH2 2.81Å; R692-R848 VanDerWaalsContact NH1-CZ 3.32Å; V844-R848 WeakPolarHBondContact O-CB 3.22Å; V844-R848 PolarHBondContact O-N 3.49Å; L845-R848 WeakPolarHBondContact O-CB 3.34Å; L845-R848 PolarHBondContact O-N 3.41Å; L846-R848 VanDerWaalsContact C-N 3.33Å; L846-R848 PolarHBondContact O-N 2.87Å; R848-I850 VanDerWaalsContact C-N 3.34Å; R848-I850 PolarHBondContact O-N 2.95Å; R848-V851 PolarHBondContact O-N 2.85Å; R848-S852 WeakPolarHBondContact O-CB 3.45Å; R848-S852 PolarHBondContact O-N 2.91Å; R848-S852 PolarHBondContact O-OG 3.48Å
849	L	90.2	Very high	83.1	Confident	61 Å²	61	40.3 Å²	40.3	32%	0.319	22%	0.215	S	C	.	.	H	α-helix	trans	-58.9	-44.5	179.8	179.2	62.9	0	0	0	111.7	L86 W91 L845 L846 E847 S852 V853	L86-L849 HydrophobicContact CD2-CD1 4.24Å; W91-L849 HydrophobicContact CH2-CD1 3.62Å; W91-L849 HydrophobicContact CZ3-CD1 4.15Å; L845-L849 WeakPolarHBondContact O-CB 3.49Å; L845-L849 PolarHBondContact O-N 3.21Å; L846-L849 PolarHBondContact O-N 3.5Å; E847-L849 VanDerWaalsContact C-N 3.35Å; E847-L849 PolarHBondContact O-N 2.88Å; L849-S852 PolarHBondContact O-N 3.46Å; L849-V853 HydrophobicContact CD1-CG2 3.94Å; L849-V853 HydrophobicContact CG-CG2 4.33Å; L849-V853 WeakPolarHBondContact O-CB 3.3Å; L849-V853 WeakPolarHBondContact O-CG2 3.37Å; L849-V853 PolarHBondContact O-N 3.01Å
850	I	86.6	Confident	81.2	Confident	11 Å²	11	43.2 Å²	43.2	6%	0.056	23%	0.232	C	C	.	.	H	α-helix	trans	-63.3	-45	-179.9	-68	162.3	0	0	0	110.9	L166 L170 L173 L846 E847 R848 S852 V853 F854 I864	L166-I850 HydrophobicContact CD1-CD1 3.5Å; L166-I850 VanDerWaalsContact CD1-CD1 3.5Å; L170-I850 HydrophobicContact CD2-CD1 4.31Å; L170-I850 HydrophobicContact CD2-CG1 4.4Å; L173-I850 HydrophobicContact CD1-CG2 3.73Å; L846-I850 HydrophobicContact CD1-CD1 4.35Å; L846-I850 HydrophobicContact CG-CD1 4.12Å; L846-I850 WeakPolarHBondContact O-CD1 3.4Å; L846-I850 VanDerWaalsContact O-CG1 3.3Å; L846-I850 WeakPolarHBondContact O-CG1 3.33Å; L846-I850 PolarHBondContact O-N 2.94Å; E847-I850 PolarHBondContact O-N 2.81Å; R848-I850 VanDerWaalsContact C-N 3.34Å; R848-I850 PolarHBondContact O-N 2.95Å; I850-S852 VanDerWaalsContact C-N 3.34Å; I850-S852 PolarHBondContact O-N 3.21Å; I850-V853 PolarHBondContact O-N 3.11Å; I850-F854 HydrophobicContact CG2-CD2 4.25Å; I850-F854 WeakPolarHBondContact O-CD2 3.45Å; I850-F854 PolarHBondContact O-N 3.46Å; I850-I864 HydrophobicContact CB-CD1 3.91Å; I850-I864 HydrophobicContact CD1-CD1 4.33Å; I850-I864 HydrophobicContact CG2-CD1 3.59Å
851	V	84.2	Confident	79.2	Confident	39 Å²	39	45.2 Å²	45.2	24%	0.236	24%	0.241	C	C	.	.	H	α-helix	trans	-62.5	-42.6	177.4	174.3	0	0	0	0	110.7	E847 R848 V853 F854 Q861 I864	E847-V851 WeakPolarHBondContact O-CG2 3.38Å; E847-V851 PolarHBondContact O-N 3.06Å; E847-V851 VanDerWaalsContact O-N 3.08Å; R848-V851 PolarHBondContact O-N 2.85Å; V851-V853 PolarHBondContact O-N 3.36Å; V851-F854 CarbonylContact O-C 3.54Å; V851-F854 PolarHBondContact O-N 3Å; V851-Q861 HydrophobicContact CG2-CB 4.23Å; V851-I864 HydrophobicContact CG2-CD1 4.28Å
852	S	87.9	Confident	77.2	Confident	29 Å²	29	45.9 Å²	45.9	20%	0.203	25%	0.247	C	C	.	.	H	α-helix	trans	-65.8	-35.9	177.7	-60.6	0	0	0	0	113.2	V94 R848 L849 I850	V94-S852 WeakPolarHBondContact CG2-OG 3.28Å; R848-S852 WeakPolarHBondContact O-CB 3.45Å; R848-S852 PolarHBondContact O-N 2.91Å; R848-S852 PolarHBondContact O-OG 3.48Å; L849-S852 PolarHBondContact O-N 3.46Å; I850-S852 VanDerWaalsContact C-N 3.34Å; I850-S852 PolarHBondContact O-N 3.21Å
853	V	86.7	Confident	75.3	Confident	9 Å²	9	46.6 Å²	46.6	6%	0.055	25%	0.251	C	S	.	.	H	α-helix	trans	-77.1	-31.9	-179.8	174	0	0	0	0	112	L82 L86 V89 L849 I850 V851 P855	L82-V853 HydrophobicContact CD1-CG1 4.28Å; L86-V853 HydrophobicContact CD2-CG2 3.6Å; L86-V853 HydrophobicContact CG-CG2 4.19Å; V89-V853 HydrophobicContact CG2-CB 4.35Å; V89-V853 HydrophobicContact CG2-CG2 3.69Å; L849-V853 HydrophobicContact CD1-CG2 3.94Å; L849-V853 HydrophobicContact CG-CG2 4.33Å; L849-V853 WeakPolarHBondContact O-CB 3.3Å; L849-V853 WeakPolarHBondContact O-CG2 3.37Å; L849-V853 PolarHBondContact O-N 3.01Å; I850-V853 PolarHBondContact O-N 3.11Å; V851-V853 PolarHBondContact O-N 3.36Å; V853-P855 VanDerWaalsContact C-CD 3.42Å; V853-P855 WeakPolarHBondContact O-CD 3.46Å
854	F	82.6	Confident	73.6	Confident	18 Å²	18	46.6 Å²	46.6	8%	0.079	25%	0.251	C	S	.	.			trans	-125.9	56.5	-175.1	-55.9	-73	0	0	0	114	V81 L82 L173 L174 I850 V851 N856 R857	V81-F854 HydrophobicContact CG1-CE1 4.13Å; L82-F854 HydrophobicContact CD1-CZ 4.33Å; L173-F854 HydrophobicContact CB-CD1 4.44Å; L173-F854 HydrophobicContact CB-CD2 4.26Å; L173-F854 HydrophobicContact CB-CE1 4.45Å; L173-F854 HydrophobicContact CB-CE2 4.26Å; L173-F854 HydrophobicContact CB-CG 4.35Å; L173-F854 HydrophobicContact CB-CZ 4.37Å; L173-F854 HydrophobicContact CD1-CB 4.43Å; L173-F854 HydrophobicContact CD1-CD2 3.71Å; L173-F854 HydrophobicContact CD1-CE2 4.21Å; L173-F854 HydrophobicContact CD1-CG 4.15Å; L173-F854 HydrophobicContact CD2-CB 4.03Å; L173-F854 HydrophobicContact CD2-CG 4.15Å; L173-F854 HydrophobicContact CG-CD2 4.4Å; L173-F854 HydrophobicContact CG-CG 4.46Å; L174-F854 HydrophobicContact CD2-CE1 4.28Å; L174-F854 HydrophobicContact CD2-CE2 4.39Å; L174-F854 HydrophobicContact CD2-CZ 3.55Å; I850-F854 HydrophobicContact CG2-CD2 4.25Å; I850-F854 WeakPolarHBondContact O-CD2 3.45Å; I850-F854 PolarHBondContact O-N 3.46Å; V851-F854 CarbonylContact O-C 3.54Å; V851-F854 PolarHBondContact O-N 3Å; F854-N856 VanDerWaalsContact C-N 3.27Å; F854-N856 PolarHBondContact O-N 2.75Å; F854-R857 PolarHBondContact O-N 2.61Å
855	P	71.6	Confident	71.6	Confident	91 Å²	91	46.6 Å²	46.6	59%	0.591	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-29.6	-173.1	25.4	-35	0	0	0	113.7	V853	V853-P855 VanDerWaalsContact C-CD 3.42Å; V853-P855 WeakPolarHBondContact O-CD 3.46Å
856	N	65.7	Low	69.6	Low	155 Å²	155	48.7 Å²	48.7	83%	0.829	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	8.2	-171	-63.7	-26.6	0	0	0	114.9	F854	F854-N856 VanDerWaalsContact C-N 3.27Å; F854-N856 PolarHBondContact O-N 2.75Å
857	R	61.4	Low	67.8	Low	98 Å²	98	49.5 Å²	49.5	37%	0.37	26%	0.258	S	S	.	.	S	Bend	trans	-107.2	20.4	-171.5	-73.1	-162.5	175.5	-146.5	10.7	115.7	Y172 L173 F854 V859	Y172-R857 PolarHBondContact O-NH1 3.41Å; L173-R857 HydrophobicContact CD2-CB 3.69Å; L173-R857 VanDerWaalsContact CD2-CD 3.5Å; L173-R857 HydrophobicContact CD2-CG 4.2Å; L173-R857 VanDerWaalsContact O-CZ 3.23Å; L173-R857 PolarHBondContact O-NH1 2.92Å; L173-R857 VanDerWaalsContact O-NH1 3.15Å; L173-R857 PolarHBondContact O-NH2 3.02Å; F854-R857 PolarHBondContact O-N 2.61Å; R857-V859 PolarHBondContact O-N 2.83Å
858	N	53.7	Low	66	Low	155 Å²	155	50.5 Å²	50.5	83%	0.829	26%	0.264	S	S	*	.	S	Bend	trans	54.1	19.9	-177	-67.6	-12.6	0	0	0	114.3	D860	N858-D860 PolarHBondContact O-N 2.92Å
859	V	55.6	Low	64.2	Low	16 Å²	16	51.1 Å²	51.1	10%	0.097	27%	0.27	C	S	.	.			trans	-95.8	85.6	169.6	-177.1	0	0	0	0	106.3	V169 L173 R857 I864	V169-V859 HydrophobicContact CG1-CG1 4.29Å; V169-V859 HydrophobicContact CG1-CG2 4.49Å; L173-V859 HydrophobicContact CD2-CG2 3.82Å; L173-V859 HydrophobicContact CG-CG2 4.47Å; R857-V859 PolarHBondContact O-N 2.83Å; V859-I864 HydrophobicContact CG1-CD1 3.67Å; V859-I864 HydrophobicContact CG1-CG1 3.43Å; V859-I864 VanDerWaalsContact CG1-CG1 3.43Å
860	D	54.9	Low	62.7	Low	74 Å²	74	50 Å²	50	40%	0.396	27%	0.267	S	S	.	.			trans	-77.6	165	169.1	66.5	-12.5	0	0	0	110.3	N858 S862 T863 I864 R866	N858-D860 PolarHBondContact O-N 2.92Å; D860-S862 PolarHBondContact O-N 2.95Å; D860-S862 VanDerWaalsContact O-N 3.15Å; D860-S862 PolarHBondContact OD1-OG 2.81Å; D860-S862 WeakPolarHBondContact OD2-CB 3.25Å; D860-S862 PolarHBondContact OD2-OG 2.98Å; D860-T863 PolarHBondContact O-N 3.48Å; D860-T863 WeakPolarHBondContact OD1-CB 3.44Å; D860-T863 PolarHBondContact OD1-N 3.42Å; D860-T863 PolarHBondContact OD1-OG1 3.13Å; D860-I864 PolarHBondContact O-N 2.96Å; D860-R866 IonicContact OD1-NH2 3.01Å
861	Q	51.8	Low	61.7	Low	44 Å²	44	50.8 Å²	50.8	21%	0.206	27%	0.272	C	S	.	.	H	α-helix	trans	-57.9	-30.1	178.1	-166.1	162.2	9	0	0	111.1	V851 S865	V851-Q861 HydrophobicContact CG2-CB 4.23Å; Q861-S865 WeakPolarHBondContact O-CB 3.46Å; Q861-S865 PolarHBondContact O-N 3.42Å; Q861-S865 PolarHBondContact O-OG 3.2Å
862	S	52.5	Low	60.9	Low	31 Å²	31	52.2 Å²	52.2	22%	0.217	28%	0.276	C	S	.	.	H	α-helix	trans	-66	-36.1	175	89.5	0	0	0	0	112.6	D860 S865 R866	D860-S862 PolarHBondContact O-N 2.95Å; D860-S862 VanDerWaalsContact O-N 3.15Å; D860-S862 PolarHBondContact OD1-OG 2.81Å; D860-S862 WeakPolarHBondContact OD2-CB 3.25Å; D860-S862 PolarHBondContact OD2-OG 2.98Å; S862-S865 PolarHBondContact O-N 3.24Å; S862-R866 WeakPolarHBondContact O-CA 3.24Å; S862-R866 WeakPolarHBondContact O-CB 3.41Å; S862-R866 WeakPolarHBondContact O-CG 3.03Å; S862-R866 PolarHBondContact O-N 2.96Å; S862-R866 PolarHBondContact O-NE 3.44Å; S862-R866 VanDerWaalsContact OG-CZ 3.31Å; S862-R866 PolarHBondContact OG-NH2 3.04Å
863	T	53.9	Low	59.9	Low	35 Å²	35	52.6 Å²	52.6	22%	0.215	28%	0.281	C	S	.	.	H	α-helix	trans	-68.8	-41.5	178.4	-61.9	0	0	0	0	112.5	D860 R866 M867	D860-T863 PolarHBondContact O-N 3.48Å; D860-T863 WeakPolarHBondContact OD1-CB 3.44Å; D860-T863 PolarHBondContact OD1-N 3.42Å; D860-T863 PolarHBondContact OD1-OG1 3.13Å; T863-R866 PolarHBondContact OG1-NH2 3.5Å; T863-M867 WeakPolarHBondContact O-CG 3.1Å
864	I	55.2	Low	59.2	Low	1 Å²	1	54.3 Å²	54.3	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-70.1	-40.9	174.8	-52.8	176.6	0	0	0	110	F162 E847 I850 V851 V859 D860 M867	F162-I864 HydrophobicContact CE2-CG2 4.32Å; F162-I864 HydrophobicContact CZ-CG2 4.28Å; E847-I864 HydrophobicContact CG-CB 4.43Å; E847-I864 HydrophobicContact CG-CG2 3.79Å; I850-I864 HydrophobicContact CB-CD1 3.91Å; I850-I864 HydrophobicContact CD1-CD1 4.33Å; I850-I864 HydrophobicContact CG2-CD1 3.59Å; V851-I864 HydrophobicContact CG2-CD1 4.28Å; V859-I864 HydrophobicContact CG1-CD1 3.67Å; V859-I864 HydrophobicContact CG1-CG1 3.43Å; V859-I864 VanDerWaalsContact CG1-CG1 3.43Å; D860-I864 PolarHBondContact O-N 2.96Å; I864-M867 WeakPolarHBondContact O-CB 3.46Å; I864-M867 PolarHBondContact O-N 3.42Å
865	S	51	Low	58.9	Low	3 Å²	3	53.6 Å²	53.6	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-69.7	-35.3	-179.7	-55.3	0	0	0	0	112.8	F147 R149 E847 Q861 S862 M867 N868	F147-S865 VanDerWaalsContact CD1-C 3.47Å; F147-S865 VanDerWaalsContact CD1-O 3.3Å; F147-S865 WeakPolarHBondContact CD1-O 3.49Å; R149-S865 PolarHBondContact NH2-OG 2.65Å; E847-S865 PolarHBondContact OE2-OG 3.43Å; Q861-S865 WeakPolarHBondContact O-CB 3.46Å; Q861-S865 PolarHBondContact O-N 3.42Å; Q861-S865 PolarHBondContact O-OG 3.2Å; S862-S865 PolarHBondContact O-N 3.24Å; S865-M867 PolarHBondContact O-N 2.82Å; S865-N868 WeakPolarHBondContact O-CB 3.22Å; S865-N868 PolarHBondContact O-N 3.45Å
866	R	50	Low	59.2	Low	100 Å²	100	53.8 Å²	53.8	38%	0.377	27%	0.274	S	S	.	.	H	α-helix	trans	-58.8	-27.8	174.2	-87.8	-174.3	-66.4	-136.7	0.8	112.6	F147 D860 S862 T863 N868 S869 V950	F147-R866 HydrophobicContact CE1-CB 4.14Å; F147-R866 HydrophobicContact CE1-CG 3.57Å; F147-R866 HydrophobicContact CZ-CG 3.83Å; D860-R866 IonicContact OD1-NH2 3.01Å; S862-R866 WeakPolarHBondContact O-CA 3.24Å; S862-R866 WeakPolarHBondContact O-CB 3.41Å; S862-R866 WeakPolarHBondContact O-CG 3.03Å; S862-R866 PolarHBondContact O-N 2.96Å; S862-R866 PolarHBondContact O-NE 3.44Å; S862-R866 VanDerWaalsContact OG-CZ 3.31Å; S862-R866 PolarHBondContact OG-NH2 3.04Å; T863-R866 PolarHBondContact OG1-NH2 3.5Å; R866-N868 PolarHBondContact O-N 3.26Å; R866-N868 VanDerWaalsContact O-N 3.16Å; R866-S869 WeakPolarHBondContact O-CB 3.37Å; R866-S869 PolarHBondContact O-N 3.1Å; R866-S869 PolarHBondContact O-OG 3.23Å; R866-V950 HydrophobicContact CB-CG2 3.73Å; R866-V950 HydrophobicContact CG-CG2 4.38Å
867	M	53.1	Low	59.8	Low	54 Å²	54	50.9 Å²	50.9	27%	0.266	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.2	173.1	-58	-171.5	175.4	0	0	113.2	V169 T863 I864 S865	V169-M867 HydrophobicContact CG2-CE 3.15Å; V169-M867 HydrophobicContact CG2-SD 3.66Å; T863-M867 WeakPolarHBondContact O-CG 3.1Å; I864-M867 WeakPolarHBondContact O-CB 3.46Å; I864-M867 PolarHBondContact O-N 3.42Å; S865-M867 PolarHBondContact O-N 2.82Å
868	N	47.7	Very low	60.6	Low	24 Å²	24	47.8 Å²	47.8	13%	0.128	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-13.6	172.9	-69.8	-47.3	0	0	0	114	L152 F162 S865 R866 S870	L152-N868 HydrophobicContact CD2-CB 4.44Å; L152-N868 VanDerWaalsContact CD2-CG 3.42Å; L152-N868 WeakPolarHBondContact CD2-ND2 3.23Å; L152-N868 WeakPolarHBondContact CD2-OD1 3.39Å; F162-N868 WeakPolarHBondContact CD2-ND2 3.24Å; F162-N868 WeakPolarHBondContact CD2-OD1 3.41Å; F162-N868 VanDerWaalsContact CE2-ND2 3.29Å; F162-N868 WeakPolarHBondContact CE2-ND2 3.1Å; S865-N868 WeakPolarHBondContact O-CB 3.22Å; S865-N868 PolarHBondContact O-N 3.45Å; R866-N868 PolarHBondContact O-N 3.26Å; R866-N868 VanDerWaalsContact O-N 3.16Å; N868-S870 PolarHBondContact O-N 3.44Å; N868-S870 VanDerWaalsContact O-N 3.14Å
869	S	51.7	Low	62.1	Low	25 Å²	25	41.7 Å²	41.7	18%	0.175	23%	0.227	C	C	.	.	S	Bend	trans	-60.5	124	176.9	71	0	0	0	0	108	R866 D871	R866-S869 WeakPolarHBondContact O-CB 3.37Å; R866-S869 PolarHBondContact O-N 3.1Å; R866-S869 PolarHBondContact O-OG 3.23Å; S869-D871 PolarHBondContact O-N 2.86Å
870	S	59.4	Low	63.3	Low	37 Å²	37	49 Å²	49	26%	0.259	26%	0.26	S	S	.	.			trans	-64.2	131.4	173.9	-171.1	0	0	0	0	106.8	N868 E872 A873 E874	N868-S870 PolarHBondContact O-N 3.44Å; N868-S870 VanDerWaalsContact O-N 3.14Å; S870-E872 PolarHBondContact O-N 2.9Å; S870-E872 WeakPolarHBondContact OG-CB 3.5Å; S870-E872 PolarHBondContact OG-N 3.3Å; S870-A873 WeakPolarHBondContact O-CB 3.32Å; S870-A873 PolarHBondContact O-N 3.24Å; S870-E874 PolarHBondContact O-N 3.23Å
871	D	64.5	Low	64.4	Low	29 Å²	29	46.1 Å²	46.1	16%	0.155	25%	0.245	C	C	.	.	H	α-helix	trans	-50.1	-27.9	171.1	-57.5	-48	0	0	0	110.3	S869 L875 R914 L954	S869-D871 PolarHBondContact O-N 2.86Å; D871-L875 WeakPolarHBondContact O-CB 3.3Å; D871-L875 PolarHBondContact O-N 3.07Å; D871-R914 IonicContact OD1-NH1 3.92Å; D871-R914 IonicContact OD2-CZ 2.66Å; D871-R914 IonicContact OD2-NH1 2.74Å; D871-R914 PolarHBondContact OD2-NH1 3.48Å; D871-R914 IonicContact OD2-NH2 3.05Å; D871-R914 PolarHBondContact OD2-NH2 2.88Å; D871-L954 HydrophobicContact CB-CD1 4.37Å
872	E	67.3	Low	65.7	Low	68 Å²	68	52.4 Å²	52.4	32%	0.318	27%	0.274	S	S	.	.	H	α-helix	trans	-65.9	-33.5	172.7	-65.8	-178.8	172.8	0	0	114.8	S870 R876 L884 Y901	S870-E872 PolarHBondContact O-N 2.9Å; S870-E872 WeakPolarHBondContact OG-CB 3.5Å; S870-E872 PolarHBondContact OG-N 3.3Å; E872-R876 WeakPolarHBondContact O-CB 3.46Å; E872-R876 WeakPolarHBondContact O-CG 3.38Å; E872-R876 PolarHBondContact O-N 2.95Å; E872-L884 HydrophobicContact CB-CD2 3.68Å; E872-L884 HydrophobicContact CG-CD2 3.88Å; E872-Y901 HydrophobicContact CG-CE1 4.32Å
873	A	67.5	Low	66.8	Low	38 Å²	38	54.1 Å²	54.1	31%	0.314	28%	0.284	S	S	.	.	H	α-helix	trans	-73.1	-42.6	178.4	0	0	0	0	0	111.1	S870 L875 R876 S877	S870-A873 WeakPolarHBondContact O-CB 3.32Å; S870-A873 PolarHBondContact O-N 3.24Å; A873-L875 VanDerWaalsContact C-N 3.27Å; A873-L875 PolarHBondContact O-N 3.28Å; A873-R876 PolarHBondContact O-N 3.02Å; A873-S877 WeakPolarHBondContact O-CB 3.35Å; A873-S877 PolarHBondContact O-N 3.49Å
874	E	71.7	Confident	68	Low	45 Å²	45	52.7 Å²	52.7	21%	0.21	27%	0.274	C	S	.	.	H	α-helix	trans	-62.4	-38.5	172.5	-68.5	-173.3	158.2	0	0	110.9	S870 S878 V949	S870-E874 PolarHBondContact O-N 3.23Å; E874-S878 WeakPolarHBondContact O-CB 3.32Å; E874-S878 PolarHBondContact O-N 2.93Å; E874-S878 PolarHBondContact O-OG 3.49Å; E874-V949 VanDerWaalsContact OE2-CA 3.26Å; E874-V949 WeakPolarHBondContact OE2-CA 3.33Å; E874-V949 WeakPolarHBondContact OE2-CB 3.26Å; E874-V949 WeakPolarHBondContact OE2-CG1 3.41Å
875	L	76.4	Confident	69.1	Low	2 Å²	2	56.6 Å²	56.6	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-65	-48.4	174.1	-173.8	67.5	0	0	0	112.5	D871 A873 S877 S878 L879 L884 Y901 I908 V910 L954 A956	D871-L875 WeakPolarHBondContact O-CB 3.3Å; D871-L875 PolarHBondContact O-N 3.07Å; A873-L875 VanDerWaalsContact C-N 3.27Å; A873-L875 PolarHBondContact O-N 3.28Å; L875-S877 VanDerWaalsContact C-N 3.35Å; L875-S877 PolarHBondContact O-N 3.24Å; L875-S878 PolarHBondContact O-N 3.43Å; L875-L879 HydrophobicContact CD1-CD1 3.64Å; L875-L879 HydrophobicContact CD1-CG 3.96Å; L875-L879 HydrophobicContact CD2-CD1 4.46Å; L875-L879 HydrophobicContact CG-CD1 3.8Å; L875-L879 HydrophobicContact CG-CG 4.33Å; L875-L879 WeakPolarHBondContact O-CB 3.49Å; L875-L879 WeakPolarHBondContact O-CG 3.39Å; L875-L879 PolarHBondContact O-N 3.24Å; L875-L884 HydrophobicContact CD2-CD1 3.78Å; L875-L884 HydrophobicContact CD2-CD2 3.94Å; L875-L884 HydrophobicContact CG-CD1 4.43Å; L875-Y901 HydrophobicContact CD2-CD2 4.49Å; L875-I908 HydrophobicContact CD2-CD1 4.47Å; L875-V910 HydrophobicContact CD1-CG2 4.47Å; L875-V910 HydrophobicContact CD2-CG1 4.21Å; L875-V910 HydrophobicContact CD2-CG2 3.69Å; L875-L954 HydrophobicContact CB-CD1 4.14Å; L875-L954 HydrophobicContact CD1-CD1 4.36Å; L875-A956 HydrophobicContact CD1-CB 4.45Å
876	R	78	Confident	70.4	Confident	95 Å²	95	59.9 Å²	59.9	36%	0.358	33%	0.326	S	S	.	.	H	α-helix	trans	-56.6	-48.8	177.5	-82.1	-178.2	-173.8	141.4	13	111.7	E872 A873 L879 E880 T881 L884	E872-R876 WeakPolarHBondContact O-CB 3.46Å; E872-R876 WeakPolarHBondContact O-CG 3.38Å; E872-R876 PolarHBondContact O-N 2.95Å; A873-R876 PolarHBondContact O-N 3.02Å; R876-L879 PolarHBondContact O-N 3.16Å; R876-E880 PolarHBondContact O-N 3.04Å; R876-E880 VanDerWaalsContact O-N 3.08Å; R876-T881 HydrophobicContact CB-CG2 4.34Å; R876-T881 HydrophobicContact CG-CG2 4.22Å; R876-T881 PolarHBondContact O-N 3.15Å; R876-L884 HydrophobicContact CG-CB 3.6Å; R876-L884 HydrophobicContact CG-CD2 4.12Å; R876-L884 HydrophobicContact CG-CG 4.39Å; R876-L884 VanDerWaalsContact NE-CB 3.29Å; R876-L884 PolarHBondContact NH2-O 2.8Å
877	S	78	Confident	71.6	Confident	94 Å²	94	59.5 Å²	59.5	66%	0.657	33%	0.325	S	S	*	.	H	α-helix	trans	-60.9	-46.7	177.6	179.2	0	0	0	0	111.4	A873 L875 L879 E880	A873-S877 WeakPolarHBondContact O-CB 3.35Å; A873-S877 PolarHBondContact O-N 3.49Å; L875-S877 VanDerWaalsContact C-N 3.35Å; L875-S877 PolarHBondContact O-N 3.24Å; S877-L879 VanDerWaalsContact C-N 3.32Å; S877-L879 PolarHBondContact O-N 3.03Å; S877-E880 PolarHBondContact O-N 3.27Å
878	S	79.7	Confident	72.2	Confident	33 Å²	33	59.5 Å²	59.5	23%	0.231	34%	0.339	C	S	.	.	H	α-helix	trans	-70	-26.6	-177.9	-62.6	0	0	0	0	114.1	E874 L875 K945 V947	E874-S878 WeakPolarHBondContact O-CB 3.32Å; E874-S878 PolarHBondContact O-N 2.93Å; E874-S878 PolarHBondContact O-OG 3.49Å; L875-S878 PolarHBondContact O-N 3.43Å; S878-K945 WeakPolarHBondContact O-CD 3.32Å; S878-K945 WeakPolarHBondContact O-CE 3.27Å; S878-K945 PolarHBondContact O-NZ 3.31Å; S878-V947 VanDerWaalsContact OG-CG1 3.25Å; S878-V947 WeakPolarHBondContact OG-CG1 3.43Å
879	L	84.1	Confident	72.9	Confident	27 Å²	27	66.5 Å²	66.5	14%	0.141	37%	0.37	C	S	.	.	H	α-helix	trans	-94.8	-0.6	177.8	-66.6	-178	0	0	0	113.3	L875 R876 S877 T881 I908 I944 K945 A956	L875-L879 HydrophobicContact CD1-CD1 3.64Å; L875-L879 HydrophobicContact CD1-CG 3.96Å; L875-L879 HydrophobicContact CD2-CD1 4.46Å; L875-L879 HydrophobicContact CG-CD1 3.8Å; L875-L879 HydrophobicContact CG-CG 4.33Å; L875-L879 WeakPolarHBondContact O-CB 3.49Å; L875-L879 WeakPolarHBondContact O-CG 3.39Å; L875-L879 PolarHBondContact O-N 3.24Å; R876-L879 PolarHBondContact O-N 3.16Å; S877-L879 VanDerWaalsContact C-N 3.32Å; S877-L879 PolarHBondContact O-N 3.03Å; L879-T881 HydrophobicContact CB-CG2 3.93Å; L879-T881 PolarHBondContact O-N 3.41Å; L879-I908 HydrophobicContact CD1-CD1 3.36Å; L879-I944 HydrophobicContact CD2-CG2 3.74Å; L879-K945 HydrophobicContact CD2-CB 4.15Å; L879-K945 HydrophobicContact CD2-CD 4.48Å; L879-A956 HydrophobicContact CD2-CB 4.42Å
880	E	81.8	Confident	73	Confident	171 Å²	171	75.3 Å²	75.3	80%	0.799	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	44.1	-178.7	-61.3	173.1	-164.2	0	0	112.1	R876 S877	R876-E880 PolarHBondContact O-N 3.04Å; R876-E880 VanDerWaalsContact O-N 3.08Å; S877-E880 PolarHBondContact O-N 3.27Å
881	T	78	Confident	72.8	Confident	13 Å²	13	75.3 Å²	75.3	8%	0.08	41%	0.406	C	S	.	.			trans	-115.6	138.6	-176.2	178	0	0	0	0	111.8	R876 L879 T883 T903 D904	R876-T881 HydrophobicContact CB-CG2 4.34Å; R876-T881 HydrophobicContact CG-CG2 4.22Å; R876-T881 PolarHBondContact O-N 3.15Å; L879-T881 HydrophobicContact CB-CG2 3.93Å; L879-T881 PolarHBondContact O-N 3.41Å; T881-T883 PolarHBondContact OG1-N 3Å; T881-T883 PolarHBondContact OG1-O 3.5Å; T881-T903 HydrophobicContact CG2-CG2 4.32Å; T881-T903 WeakPolarHBondContact OG1-CB 3.36Å; T881-D904 VanDerWaalsContact CB-OD1 3.28Å; T881-D904 WeakPolarHBondContact CB-OD1 3.38Å; T881-D904 PolarHBondContact OG1-OD1 3Å; T881-D904 PolarHBondContact OG1-OD2 2.93Å
882	E	77.5	Confident	72.2	Confident	175 Å²	175	76.8 Å²	76.8	82%	0.818	43%	0.428	S	S	*	.	S	Bend	trans	-79.7	-30.4	176.9	-64.7	-172.4	173.6	0	0	112	D904	E882-D904 PolarHBondContact N-OD2 3.48Å
883	T	76.5	Confident	71.8	Confident	68 Å²	68	76.3 Å²	76.3	42%	0.417	44%	0.442	S	S	.	.			trans	-120.2	134.1	-175.6	65.8	0	0	0	0	111.9	T881 T903 D904	T881-T883 PolarHBondContact OG1-N 3Å; T881-T883 PolarHBondContact OG1-O 3.5Å; T883-T903 VanDerWaalsContact O-CA 3.26Å; T883-T903 WeakPolarHBondContact O-CA 3.42Å; T883-T903 WeakPolarHBondContact O-CB 3.47Å; T883-D904 PolarHBondContact OG1-N 3.48Å
884	L	78.6	Confident	71.5	Confident	4 Å²	4	80.4 Å²	80.4	2%	0.021	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	107.7	171.3	-173.7	90.2	0	0	0	107.5	E872 L875 R876 Y901 M902 T903 I908	E872-L884 HydrophobicContact CB-CD2 3.68Å; E872-L884 HydrophobicContact CG-CD2 3.88Å; L875-L884 HydrophobicContact CD2-CD1 3.78Å; L875-L884 HydrophobicContact CD2-CD2 3.94Å; L875-L884 HydrophobicContact CG-CD1 4.43Å; R876-L884 HydrophobicContact CG-CB 3.6Å; R876-L884 HydrophobicContact CG-CD2 4.12Å; R876-L884 HydrophobicContact CG-CG 4.39Å; R876-L884 VanDerWaalsContact NE-CB 3.29Å; R876-L884 PolarHBondContact NH2-O 2.8Å; L884-Y901 HydrophobicContact CD1-CD1 4.05Å; L884-Y901 HydrophobicContact CD1-CD2 4.45Å; L884-Y901 HydrophobicContact CD1-CG 3.8Å; L884-Y901 HydrophobicContact CD2-CD1 3.99Å; L884-Y901 HydrophobicContact CD2-CE1 4.12Å; L884-Y901 HydrophobicContact CD2-CG 4.44Å; L884-Y901 HydrophobicContact CG-CD1 3.65Å; L884-Y901 HydrophobicContact CG-CE1 4.3Å; L884-Y901 HydrophobicContact CG-CG 3.95Å; L884-M902 WeakPolarHBondContact CA-O 3.21Å; L884-T903 HydrophobicContact CD1-CG2 3.77Å; L884-I908 HydrophobicContact CD1-CD1 4.08Å
885	T	79.1	Confident	71.5	Confident	84 Å²	84	81 Å²	81	52%	0.515	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.9	179.5	54.6	0	0	0	0	109.9	Y887 Y901 M902	T885-Y887 PolarHBondContact O-N 2.98Å; T885-Y901 CarbonylContact O-C 3.6Å; T885-Y901 WeakPolarHBondContact O-CA 3.1Å; T885-M902 PolarHBondContact N-O 3.37Å; T885-M902 PolarHBondContact O-N 3.35Å
886	A	77.8	Confident	71.9	Confident	72 Å²	72	81.8 Å²	81.8	60%	0.595	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.6	130.5	-179.3	0	0	0	0	0	110.6	Y901	A886-Y901 HydrophobicContact CB-CE1 4.48Å
887	Y	74.6	Confident	72	Confident	92 Å²	92	83.5 Å²	83.5	36%	0.361	49%	0.487	S	S	.	.			trans	-137.3	142.3	-174.1	178.1	-103.3	0	0	0	111	T885 G900 M902 P907 Y959 D961	T885-Y887 PolarHBondContact O-N 2.98Å; Y887-G900 PolarHBondContact N-O 3.43Å; Y887-G900 CarbonylContact O-C 3.54Å; Y887-G900 WeakPolarHBondContact O-CA 3.14Å; Y887-G900 VanDerWaalsContact O-O 3.11Å; Y887-M902 HydrophobicContact CG-CB 4.29Å; Y887-P907 HydrophobicContact CD1-CB 4.18Å; Y887-P907 HydrophobicContact CE1-CB 4.2Å; Y887-Y959 HydrophobicContact CD1-CD1 4.42Å; Y887-Y959 HydrophobicContact CD1-CE1 4.32Å; Y887-Y959 HydrophobicContact CE1-CD1 4.13Å; Y887-Y959 AromaticContact CE1-CE1 3.97Å; Y887-Y959 HydrophobicContact CE1-CE1 3.97Å; Y887-D961 PolarHBondContact OH-OD2 3.23Å
888	G	66.3	Low	72.4	Confident	53 Å²	53	79.3 Å²	79.3	55%	0.546	46%	0.459	S	S	.	.	S	Bend	trans	68.6	-165.1	178.5	0	0	0	0	0	114.5
889	Q	62.7	Low	72.6	Confident	171 Å²	171	78.6 Å²	78.6	80%	0.799	45%	0.453	S	S	*	.			trans	-81.4	143.3	179.1	-69.6	-177.1	-5.5	0	0	111.9	G891	Q889-G891 PolarHBondContact O-N 3.03Å
890	R	53.9	Low	72.8	Confident	210 Å²	210	77.3 Å²	77.3	79%	0.792	45%	0.447	S	S	*	.			trans	-72.4	118.1	166.4	-71.4	-175.6	177.7	-168.4	-1	108.9
891	G	55	Low	73.1	Confident	37 Å²	37	70.6 Å²	70.6	38%	0.381	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	101.8	175.5	0	0	0	0	0	109.7	Q889 G898	Q889-G891 PolarHBondContact O-N 3.03Å; G891-G898 PolarHBondContact N-O 3.45Å; G891-G898 VanDerWaalsContact N-O 3.14Å; G891-G898 CarbonylContact O-C 3.57Å; G891-G898 WeakPolarHBondContact O-CA 3.5Å; G891-G898 PolarHBondContact O-N 3.47Å
892	G	52.3	Low	73.5	Confident	61 Å²	61	73.6 Å²	73.6	63%	0.629	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	127.3	172.3	0	0	0	0	0	110.5
893	G	59	Low	74	Confident	58 Å²	58	65.7 Å²	65.7	60%	0.598	39%	0.392	S	S	*	.			trans	-81.8	179	164.4	0	0	0	0	0	110.8	I895 N896	G893-I895 PolarHBondContact O-N 3.36Å; G893-I895 VanDerWaalsContact O-N 3.1Å; G893-N896 PolarHBondContact N-O 2.86Å
894	C	61.4	Low	74.5	Confident	123 Å²	123	66.1 Å²	66.1	83%	0.831	39%	0.391	S	S	*	.	S	Bend	trans	-63.8	-15.1	177.2	-59.7	0	0	0	0	113.9
895	I	70.8	Confident	74.9	Confident	58 Å²	58	72 Å²	72	30%	0.297	42%	0.423	S	S	.	.	S	Bend	trans	-119.3	-44.1	-170.7	-57.3	173.7	0	0	0	111.8	G893 M921 F1023	G893-I895 PolarHBondContact O-N 3.36Å; G893-I895 VanDerWaalsContact O-N 3.1Å; I895-M921 HydrophobicContact CG2-CE 3.79Å; I895-F1023 HydrophobicContact CD1-CD1 4.14Å; I895-F1023 HydrophobicContact CG1-CD1 4.42Å; I895-F1023 HydrophobicContact CG2-CB 4.34Å; I895-F1023 HydrophobicContact CG2-CD1 4.42Å
896	N	84.5	Confident	75.3	Confident	19 Å²	19	68.9 Å²	68.9	10%	0.102	41%	0.408	C	S	.	.			trans	-115.7	143.5	-173.6	-60.9	-35.8	0	0	0	111.4	G893 K911 N913	G893-N896 PolarHBondContact N-O 2.86Å; N896-K911 HydrophobicContact CB-CB 4.42Å; N896-K911 HydrophobicContact CB-CD 4.44Å; N896-N913 VanDerWaalsContact OD1-CB 3.32Å; N896-N913 WeakPolarHBondContact OD1-CB 3.23Å; N896-N913 PolarHBondContact OD1-ND2 2.87Å
897	Q	80.8	Confident	76	Confident	130 Å²	130	67.9 Å²	67.9	61%	0.607	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	117.9	171.5	-65.8	179.8	-5.1	0	0	109.4	K911 L912	Q897-K911 CarbonylContact O-C 3.57Å; Q897-K911 WeakPolarHBondContact O-CA 3.39Å; Q897-L912 HydrophobicContact CB-CB 4.45Å; Q897-L912 PolarHBondContact N-O 3.41Å; Q897-L912 PolarHBondContact O-N 2.95Å
898	G	85.1	Confident	76.9	Confident	7 Å²	7	64 Å²	64	7%	0.072	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	140.4	178.4	0	0	0	0	0	113.4	G891 V910	G891-G898 PolarHBondContact N-O 3.45Å; G891-G898 VanDerWaalsContact N-O 3.14Å; G891-G898 CarbonylContact O-C 3.57Å; G891-G898 WeakPolarHBondContact O-CA 3.5Å; G891-G898 PolarHBondContact O-N 3.47Å; G898-V910 CarbonylContact C-O 3.32Å; G898-V910 VanDerWaalsContact CA-O 3.3Å; G898-V910 WeakPolarHBondContact CA-O 3.34Å
899	C	85.2	Confident	78.2	Confident	17 Å²	17	64 Å²	64	12%	0.115	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	139.5	176.9	-166.7	0	0	0	0	110.7	Y901 V910	C899-Y901 HydrophobicContact CB-CE2 3.79Å; C899-V910 PolarHBondContact N-O 3.45Å; C899-V910 PolarHBondContact O-N 2.97Å
900	G	87.6	Confident	79.5	Confident	0 Å²	0	56 Å²	56	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	147	168.2	0	0	0	0	0	111.3	Y887 I908	Y887-G900 PolarHBondContact N-O 3.43Å; Y887-G900 CarbonylContact O-C 3.54Å; Y887-G900 WeakPolarHBondContact O-CA 3.14Å; Y887-G900 VanDerWaalsContact O-O 3.11Å; G900-I908 CarbonylContact C-O 3.5Å; G900-I908 WeakPolarHBondContact CA-O 3.15Å
901	Y	87.7	Confident	81.3	Confident	30 Å²	30	46.9 Å²	46.9	12%	0.118	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	142.9	173.1	-64.7	-86.6	0	0	0	110.4	E872 L875 L884 T885 A886 C899 P907 I908 V910	E872-Y901 HydrophobicContact CG-CE1 4.32Å; L875-Y901 HydrophobicContact CD2-CD2 4.49Å; L884-Y901 HydrophobicContact CD1-CD1 4.05Å; L884-Y901 HydrophobicContact CD1-CD2 4.45Å; L884-Y901 HydrophobicContact CD1-CG 3.8Å; L884-Y901 HydrophobicContact CD2-CD1 3.99Å; L884-Y901 HydrophobicContact CD2-CE1 4.12Å; L884-Y901 HydrophobicContact CD2-CG 4.44Å; L884-Y901 HydrophobicContact CG-CD1 3.65Å; L884-Y901 HydrophobicContact CG-CE1 4.3Å; L884-Y901 HydrophobicContact CG-CG 3.95Å; T885-Y901 CarbonylContact O-C 3.6Å; T885-Y901 WeakPolarHBondContact O-CA 3.1Å; A886-Y901 HydrophobicContact CB-CE1 4.48Å; C899-Y901 HydrophobicContact CB-CE2 3.79Å; Y901-P907 CarbonylContact O-C 3.57Å; Y901-P907 WeakPolarHBondContact O-CA 3.26Å; Y901-I908 PolarHBondContact N-O 2.87Å; Y901-I908 PolarHBondContact O-N 3.37Å; Y901-V910 HydrophobicContact CD2-CB 4.03Å; Y901-V910 HydrophobicContact CD2-CG2 3.66Å; Y901-V910 HydrophobicContact CE2-CB 3.93Å; Y901-V910 HydrophobicContact CE2-CG2 4.01Å
902	M	87.5	Confident	82.9	Confident	77 Å²	77	46 Å²	46	38%	0.379	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.8	166.2	-166.1	67.9	-178.4	0	0	108.8	L884 T885 Y887 P907	L884-M902 WeakPolarHBondContact CA-O 3.21Å; T885-M902 PolarHBondContact N-O 3.37Å; T885-M902 PolarHBondContact O-N 3.35Å; Y887-M902 HydrophobicContact CG-CB 4.29Å; M902-P907 HydrophobicContact SD-CB 3.87Å; M902-P907 HydrophobicContact SD-CG 4.49Å
903	T	87.8	Confident	84.4	Confident	9 Å²	9	44 Å²	44	6%	0.055	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	170.5	171	75.4	0	0	0	0	110.9	T881 T883 L884 N905 G906 I908	T881-T903 HydrophobicContact CG2-CG2 4.32Å; T881-T903 WeakPolarHBondContact OG1-CB 3.36Å; T883-T903 VanDerWaalsContact O-CA 3.26Å; T883-T903 WeakPolarHBondContact O-CA 3.42Å; T883-T903 WeakPolarHBondContact O-CB 3.47Å; L884-T903 HydrophobicContact CD1-CG2 3.77Å; T903-N905 PolarHBondContact O-N 3.07Å; T903-N905 PolarHBondContact OG1-N 2.96Å; T903-G906 PolarHBondContact N-O 3.45Å; T903-G906 PolarHBondContact O-N 3.45Å; T903-G906 VanDerWaalsContact O-N 3.14Å; T903-G906 PolarHBondContact OG1-N 2.83Å; T903-G906 PolarHBondContact OG1-O 3.39Å; T903-I908 HydrophobicContact CG2-CD1 3.81Å; T903-I908 HydrophobicContact CG2-CG1 4.11Å
904	D	87.5	Confident	85.4	Confident	76 Å²	76	47.2 Å²	47.2	41%	0.406	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.7	170.3	51.5	1.6	0	0	0	112.8	T881 E882 T883	T881-D904 VanDerWaalsContact CB-OD1 3.28Å; T881-D904 WeakPolarHBondContact CB-OD1 3.38Å; T881-D904 PolarHBondContact OG1-OD1 3Å; T881-D904 PolarHBondContact OG1-OD2 2.93Å; E882-D904 PolarHBondContact N-OD2 3.48Å; T883-D904 PolarHBondContact OG1-N 3.48Å
905	N	86.9	Confident	86.2	Confident	129 Å²	129	45.5 Å²	45.5	69%	0.69	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	3.2	176.4	-66.5	-44.1	0	0	0	113.8	T903	T903-N905 PolarHBondContact O-N 3.07Å; T903-N905 PolarHBondContact OG1-N 2.96Å
906	G	87.9	Confident	86.5	Confident	18 Å²	18	47.2 Å²	47.2	19%	0.186	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	112.5	178.8	178.3	0	0	0	0	0	114.3	T903	T903-G906 PolarHBondContact N-O 3.45Å; T903-G906 PolarHBondContact O-N 3.45Å; T903-G906 VanDerWaalsContact O-N 3.14Å; T903-G906 PolarHBondContact OG1-N 2.83Å; T903-G906 PolarHBondContact OG1-O 3.39Å
907	P	92.1	Very high	86.4	Confident	51 Å²	51	53.4 Å²	53.4	33%	0.331	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	134.5	-174.6	33.4	-36.4	0	0	0	111.6	Y887 Y901 M902 Y959	Y887-P907 HydrophobicContact CD1-CB 4.18Å; Y887-P907 HydrophobicContact CE1-CB 4.2Å; Y901-P907 CarbonylContact O-C 3.57Å; Y901-P907 WeakPolarHBondContact O-CA 3.26Å; M902-P907 HydrophobicContact SD-CB 3.87Å; M902-P907 HydrophobicContact SD-CG 4.49Å; P907-Y959 VanDerWaalsContact C-CB 3.48Å; P907-Y959 HydrophobicContact CB-CD1 4.48Å; P907-Y959 HydrophobicContact CB-CG 4.34Å; P907-Y959 WeakPolarHBondContact O-CB 3.1Å; P907-Y959 PolarHBondContact O-N 3.21Å; P907-Y959 VanDerWaalsContact O-N 3.11Å
908	I	93.2	Very high	86.7	Confident	10 Å²	10	47.3 Å²	47.3	5%	0.051	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	149.5	179.9	65.7	174.2	0	0	0	111.2	L875 L879 L884 G900 Y901 T903 V910 I944 A957	L875-I908 HydrophobicContact CD2-CD1 4.47Å; L879-I908 HydrophobicContact CD1-CD1 3.36Å; L884-I908 HydrophobicContact CD1-CD1 4.08Å; G900-I908 CarbonylContact C-O 3.5Å; G900-I908 WeakPolarHBondContact CA-O 3.15Å; Y901-I908 PolarHBondContact N-O 2.87Å; Y901-I908 PolarHBondContact O-N 3.37Å; T903-I908 HydrophobicContact CG2-CD1 3.81Å; T903-I908 HydrophobicContact CG2-CG1 4.11Å; I908-V910 HydrophobicContact CD1-CG2 3.89Å; I908-V910 HydrophobicContact CG1-CG2 4.14Å; I908-I944 HydrophobicContact CB-CD1 4.22Å; I908-I944 HydrophobicContact CG2-CD1 3.51Å; I908-A957 CarbonylContact C-O 3.58Å; I908-A957 WeakPolarHBondContact CA-O 3.38Å
909	F	92.7	Very high	86.8	Confident	52 Å²	52	48.6 Å²	48.6	23%	0.228	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.5	169.3	-173.5	-100.2	0	0	0	109.4	K911 A956 A957 Y959	F909-K911 HydrophobicContact CD1-CG 4.28Å; F909-K911 HydrophobicContact CE1-CG 3.74Å; F909-A956 WeakPolarHBondContact O-CA 3.48Å; F909-A957 PolarHBondContact N-O 2.79Å; F909-A957 PolarHBondContact O-N 3.24Å; F909-Y959 HydrophobicContact CB-CD2 3.98Å; F909-Y959 HydrophobicContact CD2-CD2 4.1Å; F909-Y959 HydrophobicContact CD2-CE2 4.14Å
910	V	91.5	Very high	87.1	Confident	5 Å²	5	51 Å²	51	3%	0.03	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122.7	-174.6	179.1	0	0	0	0	109.4	L875 G898 C899 Y901 I908 L954 F955 A956	L875-V910 HydrophobicContact CD1-CG2 4.47Å; L875-V910 HydrophobicContact CD2-CG1 4.21Å; L875-V910 HydrophobicContact CD2-CG2 3.69Å; G898-V910 CarbonylContact C-O 3.32Å; G898-V910 VanDerWaalsContact CA-O 3.3Å; G898-V910 WeakPolarHBondContact CA-O 3.34Å; C899-V910 PolarHBondContact N-O 3.45Å; C899-V910 PolarHBondContact O-N 2.97Å; Y901-V910 HydrophobicContact CD2-CB 4.03Å; Y901-V910 HydrophobicContact CD2-CG2 3.66Å; Y901-V910 HydrophobicContact CE2-CB 3.93Å; Y901-V910 HydrophobicContact CE2-CG2 4.01Å; I908-V910 HydrophobicContact CD1-CG2 3.89Å; I908-V910 HydrophobicContact CG1-CG2 4.14Å; V910-L954 HydrophobicContact CG1-CB 4.35Å; V910-L954 HydrophobicContact CG1-CD2 3.69Å; V910-F955 CarbonylContact C-O 3.57Å; V910-F955 VanDerWaalsContact CA-O 3.31Å; V910-F955 WeakPolarHBondContact CA-O 3.35Å; V910-A956 HydrophobicContact CG2-CB 4.29Å
911	K	91.4	Very high	87.4	Confident	17 Å²	17	51.7 Å²	51.7	7%	0.074	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	135.3	167.8	-63.9	-173.2	-176.2	178	0	109.9	N896 Q897 F909 F922 E925 L954 F955 D1105	N896-K911 HydrophobicContact CB-CB 4.42Å; N896-K911 HydrophobicContact CB-CD 4.44Å; Q897-K911 CarbonylContact O-C 3.57Å; Q897-K911 WeakPolarHBondContact O-CA 3.39Å; F909-K911 HydrophobicContact CD1-CG 4.28Å; F909-K911 HydrophobicContact CE1-CG 3.74Å; K911-F922 HydrophobicContact CB-CE1 3.75Å; K911-F922 HydrophobicContact CB-CZ 3.86Å; K911-F922 HydrophobicContact CD-CE1 4.12Å; K911-E925 WeakPolarHBondContact CE-OE1 3.43Å; K911-E925 IonicContact NZ-OE1 2.71Å; K911-E925 PolarHBondContact NZ-OE1 3.15Å; K911-E925 IonicContact NZ-OE2 2.9Å; K911-E925 PolarHBondContact NZ-OE2 2.81Å; K911-L954 CarbonylContact O-C 3.6Å; K911-L954 VanDerWaalsContact O-CA 3.24Å; K911-L954 WeakPolarHBondContact O-CA 3.48Å; K911-F955 HydrophobicContact CB-CB 4.42Å; K911-F955 HydrophobicContact CD-CD1 4.37Å; K911-F955 PolarHBondContact N-O 3.16Å; K911-F955 PolarHBondContact O-N 3.07Å; K911-D1105 IonicContact NZ-OD1 3.68Å; K911-D1105 PolarHBondContact NZ-OD1 3.3Å; K911-D1105 IonicContact NZ-OD2 3.04Å; K911-D1105 PolarHBondContact NZ-OD2 3.2Å
912	L	87.8	Confident	87.8	Confident	20 Å²	20	50.3 Å²	50.3	11%	0.105	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133	173.2	173.1	62.7	0	0	0	109.6	Q897 R914 V949 L954	Q897-L912 HydrophobicContact CB-CB 4.45Å; Q897-L912 PolarHBondContact N-O 3.41Å; Q897-L912 PolarHBondContact O-N 2.95Å; L912-R914 HydrophobicContact CD1-CG 4.43Å; L912-R914 HydrophobicContact CG-CG 4.49Å; L912-V949 HydrophobicContact CD1-CG2 4.25Å; L912-L954 HydrophobicContact CB-CD2 3.7Å; L912-L954 HydrophobicContact CD1-CD2 3.58Å; L912-L954 HydrophobicContact CD1-CG 4.16Å; L912-L954 HydrophobicContact CG-CD2 4.13Å
913	N	84.2	Confident	88.2	Confident	19 Å²	19	51.7 Å²	51.7	10%	0.102	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	128.8	167.8	-172.4	-31.9	0	0	0	109.5	N896 D915 A918 F922 G952 A953	N896-N913 VanDerWaalsContact OD1-CB 3.32Å; N896-N913 WeakPolarHBondContact OD1-CB 3.23Å; N896-N913 PolarHBondContact OD1-ND2 2.87Å; N913-D915 WeakPolarHBondContact OD1-CB 3.25Å; N913-D915 PolarHBondContact OD1-N 3.19Å; N913-A918 HydrophobicContact CB-CB 3.69Å; N913-A918 WeakPolarHBondContact O-CB 3.41Å; N913-F922 HydrophobicContact CB-CE2 3.76Å; N913-F922 HydrophobicContact CB-CZ 3.71Å; N913-G952 CarbonylContact O-C 3.55Å; N913-G952 VanDerWaalsContact O-CA 3.27Å; N913-G952 WeakPolarHBondContact O-CA 3.42Å; N913-A953 PolarHBondContact N-O 3.26Å; N913-A953 VanDerWaalsContact N-O 3.13Å; N913-A953 PolarHBondContact O-N 3.03Å
914	R	80.4	Confident	88.6	Confident	124 Å²	124	51.3 Å²	51.3	47%	0.468	28%	0.275	S	S	.	.			trans	-90.4	0.4	-174.8	-62.9	-172.7	-176.3	-85.4	-3	115	D871 L912 R951	D871-R914 IonicContact OD1-NH1 3.92Å; D871-R914 IonicContact OD2-CZ 2.66Å; D871-R914 IonicContact OD2-NH1 2.74Å; D871-R914 PolarHBondContact OD2-NH1 3.48Å; D871-R914 IonicContact OD2-NH2 3.05Å; D871-R914 PolarHBondContact OD2-NH2 2.88Å; L912-R914 HydrophobicContact CD1-CG 4.43Å; L912-R914 HydrophobicContact CG-CG 4.49Å; R914-R951 WeakPolarHBondContact CA-O 3.43Å; R914-R951 HydrophobicContact CB-CB 4.34Å
915	D	78.4	Confident	89	Confident	87 Å²	87	48.2 Å²	48.2	47%	0.465	26%	0.258	S	S	.	.	S	Bend	trans	-75.8	145.5	176.1	-166.1	-79.2	0	0	0	111.4	N913 K917 A918 G952	N913-D915 WeakPolarHBondContact OD1-CB 3.25Å; N913-D915 PolarHBondContact OD1-N 3.19Å; D915-K917 PolarHBondContact O-N 3.04Å; D915-K917 VanDerWaalsContact O-N 3.16Å; D915-K917 WeakPolarHBondContact OD1-CB 3.19Å; D915-K917 PolarHBondContact OD1-N 3.04Å; D915-A918 WeakPolarHBondContact O-CB 3.19Å; D915-A918 PolarHBondContact O-N 2.94Å; D915-G952 VanDerWaalsContact O-CA 3.26Å; D915-G952 WeakPolarHBondContact O-CA 3.47Å
916	A	75.6	Confident	89.5	Confident	95 Å²	95	45.9 Å²	45.9	79%	0.785	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-25	178.2	0	0	0	0	0	113.2	A918	A916-A918 VanDerWaalsContact C-N 3.31Å
917	K	82.3	Confident	89.9	Confident	149 Å²	149	45.4 Å²	45.4	65%	0.648	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-4.9	177.7	-60.9	176	-177.7	174.4	0	113.5	D915 S919 T920 M921	D915-K917 PolarHBondContact O-N 3.04Å; D915-K917 VanDerWaalsContact O-N 3.16Å; D915-K917 WeakPolarHBondContact OD1-CB 3.19Å; D915-K917 PolarHBondContact OD1-N 3.04Å; K917-S919 PolarHBondContact O-N 3.39Å; K917-T920 PolarHBondContact O-N 3.39Å; K917-M921 PolarHBondContact O-N 2.98Å
918	A	87.3	Confident	90.2	Very high	1 Å²	1	43 Å²	43	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-57.2	-35.2	-179.2	0	0	0	0	0	113.1	N913 D915 A916 T920 M921 F922 A953	N913-A918 HydrophobicContact CB-CB 3.69Å; N913-A918 WeakPolarHBondContact O-CB 3.41Å; D915-A918 WeakPolarHBondContact O-CB 3.19Å; D915-A918 PolarHBondContact O-N 2.94Å; A916-A918 VanDerWaalsContact C-N 3.31Å; A918-T920 PolarHBondContact O-N 3.01Å; A918-M921 PolarHBondContact O-N 3.4Å; A918-F922 HydrophobicContact CB-CD2 4.35Å; A918-F922 HydrophobicContact CB-CE2 4.16Å; A918-F922 WeakPolarHBondContact O-CD2 3.15Å; A918-F922 PolarHBondContact O-N 2.94Å; A918-A953 HydrophobicContact CB-CB 4.08Å
919	S	88.6	Confident	90.4	Very high	35 Å²	35	42.6 Å²	42.6	25%	0.245	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-43.9	179.8	-171.4	0	0	0	0	112.2	K917 K923	K917-S919 PolarHBondContact O-N 3.39Å; S919-K923 WeakPolarHBondContact O-CB 3.32Å; S919-K923 VanDerWaalsContact O-CG 3.25Å; S919-K923 WeakPolarHBondContact O-CG 3.42Å; S919-K923 PolarHBondContact O-N 2.94Å
920	T	90.9	Very high	90.5	Very high	68 Å²	68	41 Å²	41	42%	0.417	21%	0.213	S	C	.	.	H	α-helix	trans	-65.1	-44	177	-54.2	0	0	0	0	111.2	K917 A918 F922 K923 G924 T1018	K917-T920 PolarHBondContact O-N 3.39Å; A918-T920 PolarHBondContact O-N 3.01Å; T920-F922 PolarHBondContact O-N 3.38Å; T920-K923 PolarHBondContact O-N 2.65Å; T920-G924 PolarHBondContact O-N 3.45Å; T920-T1018 HydrophobicContact CG2-CG2 4.02Å
921	M	93.6	Very high	90.7	Very high	14 Å²	14	41.3 Å²	41.3	7%	0.069	22%	0.216	C	C	.	.	H	α-helix	trans	-57.1	-51.4	177.2	179.5	-160.5	-71.4	0	0	111.5	I895 K917 A918 G924 E925 C1020 F1023	I895-M921 HydrophobicContact CG2-CE 3.79Å; K917-M921 PolarHBondContact O-N 2.98Å; A918-M921 PolarHBondContact O-N 3.4Å; M921-G924 PolarHBondContact O-N 3.17Å; M921-E925 PolarHBondContact O-N 3.4Å; M921-C1020 HydrophobicContact CB-CB 4.4Å; M921-C1020 HydrophobicContact CG-CB 4.17Å; M921-F1023 VanDerWaalsContact CE-CA 3.49Å; M921-F1023 HydrophobicContact CE-CB 3.58Å
922	F	95.5	Very high	91	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-72.9	-29.3	-176.7	-70.4	-37	0	0	0	114	K911 N913 A918 T920 G924 E925 Y926 V946 A953 F955	K911-F922 HydrophobicContact CB-CE1 3.75Å; K911-F922 HydrophobicContact CB-CZ 3.86Å; K911-F922 HydrophobicContact CD-CE1 4.12Å; N913-F922 HydrophobicContact CB-CE2 3.76Å; N913-F922 HydrophobicContact CB-CZ 3.71Å; A918-F922 HydrophobicContact CB-CD2 4.35Å; A918-F922 HydrophobicContact CB-CE2 4.16Å; A918-F922 WeakPolarHBondContact O-CD2 3.15Å; A918-F922 PolarHBondContact O-N 2.94Å; T920-F922 PolarHBondContact O-N 3.38Å; F922-G924 VanDerWaalsContact C-N 3.34Å; F922-E925 PolarHBondContact O-N 3.16Å; F922-Y926 VanDerWaalsContact O-CB 3.28Å; F922-Y926 WeakPolarHBondContact O-CB 3.42Å; F922-Y926 PolarHBondContact O-N 3.11Å; F922-V946 HydrophobicContact CB-CG1 3.83Å; F922-V946 HydrophobicContact CB-CG2 4.08Å; F922-V946 WeakPolarHBondContact O-CG2 3.49Å; F922-A953 HydrophobicContact CD2-CB 3.76Å; F922-A953 HydrophobicContact CE2-CB 4.29Å; F922-A953 VanDerWaalsContact CE2-O 3.24Å; F922-A953 WeakPolarHBondContact CE2-O 3.39Å; F922-F955 HydrophobicContact CB-CB 3.84Å; F922-F955 HydrophobicContact CB-CG 4.43Å; F922-F955 HydrophobicContact CD1-CB 3.48Å; F922-F955 VanDerWaalsContact CD1-CB 3.48Å; F922-F955 HydrophobicContact CD1-CD1 4.28Å; F922-F955 HydrophobicContact CD1-CG 4.16Å; F922-F955 HydrophobicContact CD2-CB 4.04Å; F922-F955 HydrophobicContact CE1-CB 4.02Å; F922-F955 HydrophobicContact CG-CB 3.52Å; F922-F955 HydrophobicContact CG-CG 4.41Å
923	K	95.8	Very high	91.4	Very high	107 Å²	107	43.8 Å²	43.8	47%	0.465	23%	0.225	S	C	.	.	H	α-helix	trans	-63	-43.1	168.7	-76.2	176.3	-179.3	-174	0	111.4	S919 T920 Y926 A927	S919-K923 WeakPolarHBondContact O-CB 3.32Å; S919-K923 VanDerWaalsContact O-CG 3.25Å; S919-K923 WeakPolarHBondContact O-CG 3.42Å; S919-K923 PolarHBondContact O-N 2.94Å; T920-K923 PolarHBondContact O-N 2.65Å; K923-Y926 PolarHBondContact O-N 2.95Å; K923-A927 WeakPolarHBondContact O-CB 3.44Å; K923-A927 PolarHBondContact O-N 3.21Å
924	G	96.5	Very high	91.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.3	-45.6	174.3	0	0	0	0	0	112.7	T920 M921 F922 A927 S928 T1018	T920-G924 PolarHBondContact O-N 3.45Å; M921-G924 PolarHBondContact O-N 3.17Å; F922-G924 VanDerWaalsContact C-N 3.34Å; G924-A927 PolarHBondContact O-N 3.2Å; G924-S928 VanDerWaalsContact O-CB 3.3Å; G924-S928 WeakPolarHBondContact O-CB 3.39Å; G924-S928 PolarHBondContact O-N 2.97Å; G924-S928 PolarHBondContact O-OG 3.24Å; G924-T1018 VanDerWaalsContact CA-O 3.29Å; G924-T1018 WeakPolarHBondContact CA-O 3.49Å
925	E	96.5	Very high	92.3	Very high	11 Å²	11	38.6 Å²	38.6	5%	0.051	21%	0.211	C	C	.	.	H	α-helix	trans	-64.1	-43.6	177	-167	-179.1	163.7	0	0	111.7	K911 M921 F922 S928 L929 F955	K911-E925 WeakPolarHBondContact CE-OE1 3.43Å; K911-E925 IonicContact NZ-OE1 2.71Å; K911-E925 PolarHBondContact NZ-OE1 3.15Å; K911-E925 IonicContact NZ-OE2 2.9Å; K911-E925 PolarHBondContact NZ-OE2 2.81Å; M921-E925 PolarHBondContact O-N 3.4Å; F922-E925 PolarHBondContact O-N 3.16Å; E925-S928 WeakPolarHBondContact O-CB 3.45Å; E925-S928 PolarHBondContact O-N 3.35Å; E925-L929 HydrophobicContact CG-CD1 4.26Å; E925-L929 PolarHBondContact O-N 3.39Å; E925-F955 HydrophobicContact CB-CE1 4.39Å; E925-F955 HydrophobicContact CG-CD1 4.26Å; E925-F955 HydrophobicContact CG-CE1 3.83Å; E925-F955 WeakPolarHBondContact OE1-CE1 3.47Å
926	Y	97.1	Very high	93	Very high	80 Å²	80	41.1 Å²	41.1	31%	0.314	23%	0.225	S	C	.	.	H	α-helix	trans	-57	-51.4	174.9	178.7	-79	0	0	0	111.4	F922 K923 S928 L929 A930 P943 V946 F955	F922-Y926 VanDerWaalsContact O-CB 3.28Å; F922-Y926 WeakPolarHBondContact O-CB 3.42Å; F922-Y926 PolarHBondContact O-N 3.11Å; K923-Y926 PolarHBondContact O-N 2.95Å; Y926-S928 VanDerWaalsContact C-N 3.29Å; Y926-S928 PolarHBondContact O-N 3.27Å; Y926-L929 PolarHBondContact O-N 2.86Å; Y926-A930 HydrophobicContact CE1-CB 4.49Å; Y926-A930 VanDerWaalsContact O-CB 3.31Å; Y926-A930 WeakPolarHBondContact O-CB 3.41Å; Y926-A930 PolarHBondContact O-N 3.42Å; Y926-P943 HydrophobicContact CD2-CB 3.75Å; Y926-P943 HydrophobicContact CE2-CB 3.88Å; Y926-P943 HydrophobicContact CG-CB 4.25Å; Y926-V946 HydrophobicContact CD2-CG2 4.23Å; Y926-V946 HydrophobicContact CG-CG2 4.29Å; Y926-F955 AromaticContact CD2-CE2 3.94Å; Y926-F955 HydrophobicContact CD2-CE2 3.94Å; Y926-F955 HydrophobicContact CG-CE2 4.46Å
927	A	96.8	Very high	93.9	Very high	8 Å²	8	37.7 Å²	37.7	7%	0.066	20%	0.195	C	C	.	.	H	α-helix	trans	-64.1	-36.5	-179.3	0	0	0	0	0	112	K923 G924 A930 A931 F1015 E1017	K923-A927 WeakPolarHBondContact O-CB 3.44Å; K923-A927 PolarHBondContact O-N 3.21Å; G924-A927 PolarHBondContact O-N 3.2Å; A927-A930 PolarHBondContact O-N 3.39Å; A927-A931 WeakPolarHBondContact O-CB 3.4Å; A927-A931 PolarHBondContact O-N 3.39Å; A927-F1015 HydrophobicContact CB-CE1 3.94Å; A927-E1017 HydrophobicContact CB-CB 3.89Å; A927-E1017 HydrophobicContact CB-CG 3.87Å
928	S	97.9	Very high	94.5	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.3	-50.3	175.6	-61.1	0	0	0	0	111.7	G924 E925 Y926 A930 A931 L932 T1019 P1106 S1108	G924-S928 VanDerWaalsContact O-CB 3.3Å; G924-S928 WeakPolarHBondContact O-CB 3.39Å; G924-S928 PolarHBondContact O-N 2.97Å; G924-S928 PolarHBondContact O-OG 3.24Å; E925-S928 WeakPolarHBondContact O-CB 3.45Å; E925-S928 PolarHBondContact O-N 3.35Å; Y926-S928 VanDerWaalsContact C-N 3.29Å; Y926-S928 PolarHBondContact O-N 3.27Å; S928-A930 VanDerWaalsContact C-N 3.32Å; S928-A930 PolarHBondContact O-N 3.01Å; S928-A931 PolarHBondContact O-N 3.45Å; S928-L932 WeakPolarHBondContact O-CG 3.47Å; S928-L932 PolarHBondContact O-N 3.04Å; S928-T1019 WeakPolarHBondContact OG-CG2 3.16Å; S928-P1106 VanDerWaalsContact CB-CG 3.49Å; S928-S1108 WeakPolarHBondContact OG-CB 3.21Å; S928-S1108 PolarHBondContact OG-N 2.98Å
929	L	97.4	Very high	94.9	Very high	3 Å²	3	35 Å²	35	2%	0.016	18%	0.181	C	C	.	.	H	α-helix	trans	-63.4	-38	176.1	-77.6	170.1	0	0	0	111.8	E925 Y926 L932 Y933 V940 P943 F955 P1106	E925-L929 HydrophobicContact CG-CD1 4.26Å; E925-L929 PolarHBondContact O-N 3.39Å; Y926-L929 PolarHBondContact O-N 2.86Å; L929-L932 PolarHBondContact O-N 2.83Å; L929-Y933 WeakPolarHBondContact O-CB 3.26Å; L929-Y933 PolarHBondContact O-N 2.9Å; L929-V940 HydrophobicContact CD2-CB 3.95Å; L929-V940 HydrophobicContact CD2-CG2 4.32Å; L929-P943 HydrophobicContact CB-CB 3.98Å; L929-P943 HydrophobicContact CB-CG 3.99Å; L929-F955 HydrophobicContact CD1-CE1 3.7Å; L929-F955 HydrophobicContact CD1-CZ 3.52Å; L929-P1106 HydrophobicContact CD2-CG 3.77Å; L929-P1106 HydrophobicContact CG-CG 3.64Å
930	A	96	Very high	95.3	Very high	17 Å²	17	33.5 Å²	33.5	14%	0.14	17%	0.17	C	C	.	.	H	α-helix	trans	-62.5	-44.9	177.8	0	0	0	0	0	111.1	Y926 A927 S928 Y933 A934 P943	Y926-A930 HydrophobicContact CE1-CB 4.49Å; Y926-A930 VanDerWaalsContact O-CB 3.31Å; Y926-A930 WeakPolarHBondContact O-CB 3.41Å; Y926-A930 PolarHBondContact O-N 3.42Å; A927-A930 PolarHBondContact O-N 3.39Å; S928-A930 VanDerWaalsContact C-N 3.32Å; S928-A930 PolarHBondContact O-N 3.01Å; A930-Y933 PolarHBondContact O-N 2.75Å; A930-A934 VanDerWaalsContact O-CB 3.23Å; A930-A934 WeakPolarHBondContact O-CB 3.46Å; A930-A934 PolarHBondContact O-N 3.38Å; A930-P943 HydrophobicContact CB-CG 4.03Å
931	A	95.4	Very high	95.6	Very high	13 Å²	13	30.9 Å²	30.9	11%	0.107	15%	0.154	C	C	.	.	H	α-helix	trans	-64.1	-45.1	175.8	0	0	0	0	0	112.1	A927 S928 Y933 A934 A935 I1007 F1015 L1084	A927-A931 WeakPolarHBondContact O-CB 3.4Å; A927-A931 PolarHBondContact O-N 3.39Å; S928-A931 PolarHBondContact O-N 3.45Å; A931-Y933 PolarHBondContact O-N 2.91Å; A931-A934 PolarHBondContact O-N 3.05Å; A931-A935 WeakPolarHBondContact O-CB 3.45Å; A931-A935 PolarHBondContact O-N 3.42Å; A931-I1007 WeakPolarHBondContact O-CD1 3.2Å; A931-F1015 HydrophobicContact CB-CE2 4.3Å; A931-F1015 HydrophobicContact CB-CZ 4.06Å; A931-L1084 HydrophobicContact CB-CD1 4.18Å; A931-L1084 HydrophobicContact CB-CD2 3.91Å
932	L	96.9	Very high	95.7	Very high	4 Å²	4	34 Å²	34	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-65.9	-39.4	178.4	-68.9	171	0	0	0	112.3	S928 L929 A935 N936 V940 L980 L1084 P1106	S928-L932 WeakPolarHBondContact O-CG 3.47Å; S928-L932 PolarHBondContact O-N 3.04Å; L929-L932 PolarHBondContact O-N 2.83Å; L932-A935 PolarHBondContact O-N 2.83Å; L932-N936 PolarHBondContact O-N 3.49Å; L932-V940 HydrophobicContact CB-CB 4.46Å; L932-V940 HydrophobicContact CB-CG1 3.89Å; L932-V940 HydrophobicContact CB-CG2 3.97Å; L932-V940 HydrophobicContact CD1-CG1 4.27Å; L932-L980 HydrophobicContact CD2-CD1 4.15Å; L932-L980 HydrophobicContact CD2-CD2 3.65Å; L932-L1084 HydrophobicContact CD2-CD2 4.05Å; L932-L1084 HydrophobicContact CD2-CG 4.16Å; L932-P1106 HydrophobicContact CD1-CB 3.61Å; L932-P1106 HydrophobicContact CD1-CG 3.93Å
933	Y	95.6	Very high	95.7	Very high	85 Å²	85	34.2 Å²	34.2	33%	0.333	17%	0.169	S	C	.	.	H	α-helix	trans	-64.3	-44.5	177.1	-171.8	-89.4	0	0	0	110.9	L929 A930 A931 A935 N936 V940 K942 F1005	L929-Y933 WeakPolarHBondContact O-CB 3.26Å; L929-Y933 PolarHBondContact O-N 2.9Å; A930-Y933 PolarHBondContact O-N 2.75Å; A931-Y933 PolarHBondContact O-N 2.91Å; Y933-A935 PolarHBondContact O-N 3.24Å; Y933-N936 PolarHBondContact O-N 3.2Å; Y933-V940 HydrophobicContact CD2-CG2 4.19Å; Y933-K942 HydrophobicContact CD2-CB 4.02Å; Y933-K942 HydrophobicContact CD2-CG 4.25Å; Y933-K942 HydrophobicContact CE1-CG 4.3Å; Y933-K942 HydrophobicContact CE2-CB 3.62Å; Y933-K942 HydrophobicContact CE2-CD 4.4Å; Y933-K942 HydrophobicContact CE2-CG 3.86Å; Y933-F1005 HydrophobicContact CD1-CD2 4.48Å
934	A	91.9	Very high	95.6	Very high	28 Å²	28	32.3 Å²	32.3	23%	0.231	16%	0.163	C	C	.	.	H	α-helix	trans	-63.9	-37.9	176.7	0	0	0	0	0	112.8	A930 A931 N936 F1005 I1007	A930-A934 VanDerWaalsContact O-CB 3.23Å; A930-A934 WeakPolarHBondContact O-CB 3.46Å; A930-A934 PolarHBondContact O-N 3.38Å; A931-A934 PolarHBondContact O-N 3.05Å; A934-N936 PolarHBondContact O-N 3.49Å; A934-F1005 HydrophobicContact CB-CB 3.76Å; A934-I1007 HydrophobicContact CB-CD1 3.81Å; A934-I1007 HydrophobicContact CB-CG1 3.63Å
935	A	92	Very high	95.5	Very high	6 Å²	6	36.4 Å²	36.4	5%	0.05	18%	0.181	C	C	.	.	H	α-helix	trans	-66.4	-24.9	177	0	0	0	0	0	112.4	A931 L932 Y933 C937 L980 I1007 L1084	A931-A935 WeakPolarHBondContact O-CB 3.45Å; A931-A935 PolarHBondContact O-N 3.42Å; L932-A935 PolarHBondContact O-N 2.83Å; Y933-A935 PolarHBondContact O-N 3.24Å; A935-C937 PolarHBondContact O-N 2.86Å; A935-C937 PolarHBondContact O-SG 3.49Å; A935-L980 HydrophobicContact CB-CD1 3.68Å; A935-I1007 HydrophobicContact CB-CD1 3.66Å; A935-I1007 VanDerWaalsContact N-CD1 3.34Å; A935-L1084 HydrophobicContact CB-CD2 4.23Å
936	N	93.2	Very high	95.3	Very high	140 Å²	140	37.3 Å²	37.3	75%	0.749	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.7	36.7	173.4	-165.9	25.1	0	0	0	114.3	L932 Y933 A934	L932-N936 PolarHBondContact O-N 3.49Å; Y933-N936 PolarHBondContact O-N 3.2Å; A934-N936 PolarHBondContact O-N 3.49Å
937	C	95.4	Very high	94.9	Very high	23 Å²	23	33.7 Å²	33.7	16%	0.155	17%	0.173	C	C	.	.	S	Bend	trans	-95.3	-37.9	-179.7	-71.9	0	0	0	0	112.3	A935 Q976 L980	A935-C937 PolarHBondContact O-N 2.86Å; A935-C937 PolarHBondContact O-SG 3.49Å; C937-Q976 WeakPolarHBondContact O-CB 3.47Å; C937-Q976 WeakPolarHBondContact O-CG 3.27Å; C937-L980 HydrophobicContact CB-CB 3.76Å; C937-L980 HydrophobicContact CB-CD1 4.08Å
938	V	94.8	Very high	94.1	Very high	8 Å²	8	37.9 Å²	37.9	5%	0.048	20%	0.2	C	C	.	.	S	Bend	trans	-130.4	146.2	178.3	-172.9	0	0	0	0	107.5	V940 L973 Q976 I1103	V938-V940 PolarHBondContact O-N 3.34Å; V938-L973 HydrophobicContact CG1-CD1 3.77Å; V938-Q976 HydrophobicContact CB-CB 4.46Å; V938-Q976 HydrophobicContact CG2-CB 3.6Å; V938-I1103 HydrophobicContact CB-CD1 4.02Å; V938-I1103 HydrophobicContact CB-CG1 4.39Å; V938-I1103 HydrophobicContact CG1-CD1 3.94Å; V938-I1103 HydrophobicContact CG1-CG1 3.92Å; V938-I1103 HydrophobicContact CG1-CG2 3.97Å; V938-I1103 HydrophobicContact CG2-CD1 4.34Å
939	R	96.5	Very high	92.9	Very high	86 Å²	86	38.6 Å²	38.6	33%	0.325	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-67.7	125.4	176.2	178.1	58.8	169	120.7	-0.2	110.4	E958 I960 P1101 V1102 I1103	R939-E958 IonicContact CZ-OE1 3.29Å; R939-E958 IonicContact CZ-OE2 3.84Å; R939-E958 VanDerWaalsContact CZ-OE2 3.24Å; R939-E958 IonicContact NH1-OE1 3.95Å; R939-E958 IonicContact NH1-OE2 3.33Å; R939-E958 PolarHBondContact NH1-OE2 3.22Å; R939-E958 IonicContact NH2-OE1 2.76Å; R939-E958 PolarHBondContact NH2-OE1 3.42Å; R939-E958 IonicContact NH2-OE2 3.34Å; R939-E958 PolarHBondContact NH2-OE2 3.44Å; R939-I960 HydrophobicContact CG-CD1 4.48Å; R939-P1101 WeakPolarHBondContact CB-O 3.36Å; R939-V1102 HydrophobicContact CB-CG2 4.16Å; R939-V1102 HydrophobicContact CG-CG1 4.36Å; R939-V1102 HydrophobicContact CG-CG2 3.77Å; R939-V1102 VanDerWaalsContact O-CA 3.3Å; R939-V1102 WeakPolarHBondContact O-CA 3.25Å; R939-I1103 PolarHBondContact O-N 3.47Å
940	V	96.8	Very high	91.2	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.012	22%	0.221	C	C	.	.			trans	-131.4	150.8	172.8	-57.9	0	0	0	0	110	L929 L932 Y933 V938 K942 I1103	L929-V940 HydrophobicContact CD2-CB 3.95Å; L929-V940 HydrophobicContact CD2-CG2 4.32Å; L932-V940 HydrophobicContact CB-CB 4.46Å; L932-V940 HydrophobicContact CB-CG1 3.89Å; L932-V940 HydrophobicContact CB-CG2 3.97Å; L932-V940 HydrophobicContact CD1-CG1 4.27Å; Y933-V940 HydrophobicContact CD2-CG2 4.19Å; V938-V940 PolarHBondContact O-N 3.34Å; V940-K942 PolarHBondContact O-N 3.04Å; V940-I1103 WeakPolarHBondContact CA-O 3.23Å; V940-I1103 HydrophobicContact CG1-CD1 4.1Å; V940-I1103 HydrophobicContact CG1-CG1 3.45Å; V940-I1103 VanDerWaalsContact CG1-CG1 3.45Å; V940-I1103 WeakPolarHBondContact CG1-O 3.47Å
941	P	95.8	Very high	89.8	Confident	13 Å²	13	46 Å²	46	8%	0.084	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-53.4	133.1	172.8	-23.9	32.5	0	0	0	111.6	P943 A957 I960 I1103 F1104	P941-P943 WeakPolarHBondContact O-CD 3.4Å; P941-A957 HydrophobicContact CB-CB 4.16Å; P941-I960 HydrophobicContact CB-CD1 4.29Å; P941-I960 HydrophobicContact CG-CD1 3.87Å; P941-I1103 WeakPolarHBondContact CD-O 3.32Å; P941-F1104 HydrophobicContact CG-CB 3.96Å
942	K	95.3	Very high	89.2	Confident	81 Å²	81	46.1 Å²	46.1	35%	0.352	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-66.2	121.4	172.6	-171.9	-177.5	177.6	-176.2	0	109	Y933 V940 A957 E958	Y933-K942 HydrophobicContact CD2-CB 4.02Å; Y933-K942 HydrophobicContact CD2-CG 4.25Å; Y933-K942 HydrophobicContact CE1-CG 4.3Å; Y933-K942 HydrophobicContact CE2-CB 3.62Å; Y933-K942 HydrophobicContact CE2-CD 4.4Å; Y933-K942 HydrophobicContact CE2-CG 3.86Å; V940-K942 PolarHBondContact O-N 3.04Å; K942-A957 CarbonylContact O-C 3.58Å; K942-A957 WeakPolarHBondContact O-CA 3.22Å; K942-E958 HydrophobicContact CB-CB 4.02Å; K942-E958 PolarHBondContact N-OE2 3.34Å; K942-E958 VanDerWaalsContact N-OE2 3.13Å; K942-E958 PolarHBondContact O-N 2.98Å
943	P	95.8	Very high	88.8	Confident	4 Å²	4	46 Å²	46	3%	0.026	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	140.5	174.5	30.8	-34.5	0	0	0	109.7	Y926 L929 A930 P941 F955	Y926-P943 HydrophobicContact CD2-CB 3.75Å; Y926-P943 HydrophobicContact CE2-CB 3.88Å; Y926-P943 HydrophobicContact CG-CB 4.25Å; L929-P943 HydrophobicContact CB-CB 3.98Å; L929-P943 HydrophobicContact CB-CG 3.99Å; A930-P943 HydrophobicContact CB-CG 4.03Å; P941-P943 WeakPolarHBondContact O-CD 3.4Å; P943-F955 HydrophobicContact CB-CE2 4.24Å; P943-F955 HydrophobicContact CB-CZ 4.22Å
944	I	94.3	Very high	88.6	Confident	66 Å²	66	42.2 Å²	42.2	34%	0.338	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	-62	-177.5	-58.9	171.3	0	0	0	110.3	L879 I908 A956	L879-I944 HydrophobicContact CD2-CG2 3.74Å; I908-I944 HydrophobicContact CB-CD1 4.22Å; I908-I944 HydrophobicContact CG2-CD1 3.51Å; I944-A956 WeakPolarHBondContact CA-O 3.31Å; I944-A956 HydrophobicContact CB-CB 4.25Å; I944-A956 WeakPolarHBondContact CB-O 3.07Å; I944-A956 PolarHBondContact N-O 2.9Å
945	K	93.7	Very high	88.7	Confident	86 Å²	86	41 Å²	41	37%	0.374	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	148.9	-175.1	-157.2	161.9	-176.1	169.2	0	112.9	S878 L879 V947 A956	S878-K945 WeakPolarHBondContact O-CD 3.32Å; S878-K945 WeakPolarHBondContact O-CE 3.27Å; S878-K945 PolarHBondContact O-NZ 3.31Å; L879-K945 HydrophobicContact CD2-CB 4.15Å; L879-K945 HydrophobicContact CD2-CD 4.48Å; K945-V947 HydrophobicContact CD-CG2 4.45Å; K945-V947 HydrophobicContact CG-CG2 4.2Å; K945-A956 PolarHBondContact N-O 2.76Å; K945-A956 VanDerWaalsContact N-O 3.13Å; K945-A956 PolarHBondContact O-N 3.37Å
946	V	93.8	Very high	88.8	Confident	30 Å²	30	40.8 Å²	40.8	18%	0.182	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.5	164.9	-178.3	0	0	0	0	108.1	F922 Y926 L954 F955	F922-V946 HydrophobicContact CB-CG1 3.83Å; F922-V946 HydrophobicContact CB-CG2 4.08Å; F922-V946 WeakPolarHBondContact O-CG2 3.49Å; Y926-V946 HydrophobicContact CD2-CG2 4.23Å; Y926-V946 HydrophobicContact CG-CG2 4.29Å; V946-L954 CarbonylContact C-O 3.48Å; V946-L954 WeakPolarHBondContact CA-O 3.15Å; V946-F955 HydrophobicContact CG2-CD2 3.91Å
947	V	87.1	Confident	88.9	Confident	5 Å²	5	34.3 Å²	34.3	3%	0.03	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	115.9	-176.8	-178.3	0	0	0	0	108.7	S878 K945 A953 L954	S878-V947 VanDerWaalsContact OG-CG1 3.25Å; S878-V947 WeakPolarHBondContact OG-CG1 3.43Å; K945-V947 HydrophobicContact CD-CG2 4.45Å; K945-V947 HydrophobicContact CG-CG2 4.2Å; V947-A953 CarbonylContact O-C 3.59Å; V947-A953 WeakPolarHBondContact O-CA 3.44Å; V947-L954 HydrophobicContact CB-CB 4.22Å; V947-L954 PolarHBondContact N-O 2.93Å; V947-L954 PolarHBondContact O-N 2.93Å
948	P	81.4	Confident	88.9	Confident	96 Å²	96	36 Å²	36	62%	0.623	18%	0.182	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	137.7	171.7	28.8	-31.8	0	0	0	109.4
949	V	71.6	Confident	88.8	Confident	14 Å²	14	37.3 Å²	37.3	9%	0.085	19%	0.186	C	C	.	.			trans	-123.5	165.7	175.3	-55.9	0	0	0	0	110	E874 L912 R951 G952 L954	E874-V949 VanDerWaalsContact OE2-CA 3.26Å; E874-V949 WeakPolarHBondContact OE2-CA 3.33Å; E874-V949 WeakPolarHBondContact OE2-CB 3.26Å; E874-V949 WeakPolarHBondContact OE2-CG1 3.41Å; L912-V949 HydrophobicContact CD1-CG2 4.25Å; V949-R951 WeakPolarHBondContact CG2-O 3.35Å; V949-R951 PolarHBondContact O-N 3.41Å; V949-G952 PolarHBondContact N-O 3.2Å; V949-G952 VanDerWaalsContact N-O 3.13Å; V949-G952 PolarHBondContact O-N 3.48Å; V949-L954 HydrophobicContact CG1-CB 4.47Å; V949-L954 HydrophobicContact CG1-CD1 3.46Å; V949-L954 VanDerWaalsContact CG1-CD1 3.46Å; V949-L954 HydrophobicContact CG1-CG 3.62Å
950	V	61.5	Low	88.6	Confident	61 Å²	61	34 Å²	34	37%	0.37	18%	0.175	S	C	.	.	S	Bend	trans	-48.3	-41.1	-175.4	-177.4	0	0	0	0	113.2	R866	R866-V950 HydrophobicContact CB-CG2 3.73Å; R866-V950 HydrophobicContact CG-CG2 4.38Å
951	R	67	Low	88.1	Confident	114 Å²	114	38.8 Å²	38.8	43%	0.43	20%	0.2	S	C	.	.	S	Bend	trans	-124	96	170.3	-64	-174.3	77.5	165.6	6.1	108.4	D168 R914 V949	D168-R951 IonicContact OD2-CZ 3.91Å; D168-R951 IonicContact OD2-NH1 3.86Å; D168-R951 PolarHBondContact OD2-NH1 3.27Å; D168-R951 IonicContact OD2-NH2 3.7Å; R914-R951 WeakPolarHBondContact CA-O 3.43Å; R914-R951 HydrophobicContact CB-CB 4.34Å; V949-R951 WeakPolarHBondContact CG2-O 3.35Å; V949-R951 PolarHBondContact O-N 3.41Å
952	G	83.2	Confident	87.5	Confident	17 Å²	17	40 Å²	40	18%	0.175	22%	0.216	C	C	.	.	S	Bend	trans	96.9	-135.1	171.8	0	0	0	0	0	113.9	N913 D915 V949	N913-G952 CarbonylContact O-C 3.55Å; N913-G952 VanDerWaalsContact O-CA 3.27Å; N913-G952 WeakPolarHBondContact O-CA 3.42Å; D915-G952 VanDerWaalsContact O-CA 3.26Å; D915-G952 WeakPolarHBondContact O-CA 3.47Å; V949-G952 PolarHBondContact N-O 3.2Å; V949-G952 VanDerWaalsContact N-O 3.13Å; V949-G952 PolarHBondContact O-N 3.48Å
953	A	89	Confident	87.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	162.6	-178.9	0	0	0	0	0	112	N913 A918 F922 V947	N913-A953 PolarHBondContact N-O 3.26Å; N913-A953 VanDerWaalsContact N-O 3.13Å; N913-A953 PolarHBondContact O-N 3.03Å; A918-A953 HydrophobicContact CB-CB 4.08Å; F922-A953 HydrophobicContact CD2-CB 3.76Å; F922-A953 HydrophobicContact CE2-CB 4.29Å; F922-A953 VanDerWaalsContact CE2-O 3.24Å; F922-A953 WeakPolarHBondContact CE2-O 3.39Å; V947-A953 CarbonylContact O-C 3.59Å; V947-A953 WeakPolarHBondContact O-CA 3.44Å
954	L	90.8	Very high	87	Confident	6 Å²	6	43.1 Å²	43.1	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	146.8	168.5	-65.2	162.6	0	0	0	109.4	D871 L875 V910 K911 L912 V946 V947 V949	D871-L954 HydrophobicContact CB-CD1 4.37Å; L875-L954 HydrophobicContact CB-CD1 4.14Å; L875-L954 HydrophobicContact CD1-CD1 4.36Å; V910-L954 HydrophobicContact CG1-CB 4.35Å; V910-L954 HydrophobicContact CG1-CD2 3.69Å; K911-L954 CarbonylContact O-C 3.6Å; K911-L954 VanDerWaalsContact O-CA 3.24Å; K911-L954 WeakPolarHBondContact O-CA 3.48Å; L912-L954 HydrophobicContact CB-CD2 3.7Å; L912-L954 HydrophobicContact CD1-CD2 3.58Å; L912-L954 HydrophobicContact CD1-CG 4.16Å; L912-L954 HydrophobicContact CG-CD2 4.13Å; V946-L954 CarbonylContact C-O 3.48Å; V946-L954 WeakPolarHBondContact CA-O 3.15Å; V947-L954 HydrophobicContact CB-CB 4.22Å; V947-L954 PolarHBondContact N-O 2.93Å; V947-L954 PolarHBondContact O-N 2.93Å; V949-L954 HydrophobicContact CG1-CB 4.47Å; V949-L954 HydrophobicContact CG1-CD1 3.46Å; V949-L954 VanDerWaalsContact CG1-CD1 3.46Å; V949-L954 HydrophobicContact CG1-CG 3.62Å
955	F	94.2	Very high	86.8	Confident	3 Å²	3	49.2 Å²	49.2	1%	0.013	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	119	168.3	172.5	-129.8	0	0	0	109.8	V910 K911 F922 E925 Y926 L929 P943 V946 A957	V910-F955 CarbonylContact C-O 3.57Å; V910-F955 VanDerWaalsContact CA-O 3.31Å; V910-F955 WeakPolarHBondContact CA-O 3.35Å; K911-F955 HydrophobicContact CB-CB 4.42Å; K911-F955 HydrophobicContact CD-CD1 4.37Å; K911-F955 PolarHBondContact N-O 3.16Å; K911-F955 PolarHBondContact O-N 3.07Å; F922-F955 HydrophobicContact CB-CB 3.84Å; F922-F955 HydrophobicContact CB-CG 4.43Å; F922-F955 HydrophobicContact CD1-CB 3.48Å; F922-F955 VanDerWaalsContact CD1-CB 3.48Å; F922-F955 HydrophobicContact CD1-CD1 4.28Å; F922-F955 HydrophobicContact CD1-CG 4.16Å; F922-F955 HydrophobicContact CD2-CB 4.04Å; F922-F955 HydrophobicContact CE1-CB 4.02Å; F922-F955 HydrophobicContact CG-CB 3.52Å; F922-F955 HydrophobicContact CG-CG 4.41Å; E925-F955 HydrophobicContact CB-CE1 4.39Å; E925-F955 HydrophobicContact CG-CD1 4.26Å; E925-F955 HydrophobicContact CG-CE1 3.83Å; E925-F955 WeakPolarHBondContact OE1-CE1 3.47Å; Y926-F955 AromaticContact CD2-CE2 3.94Å; Y926-F955 HydrophobicContact CD2-CE2 3.94Å; Y926-F955 HydrophobicContact CG-CE2 4.46Å; L929-F955 HydrophobicContact CD1-CE1 3.7Å; L929-F955 HydrophobicContact CD1-CZ 3.52Å; P943-F955 HydrophobicContact CB-CE2 4.24Å; P943-F955 HydrophobicContact CB-CZ 4.22Å; V946-F955 HydrophobicContact CG2-CD2 3.91Å; F955-A957 HydrophobicContact CE1-CB 4.16Å; F955-A957 HydrophobicContact CZ-CB 3.87Å
956	A	94.2	Very high	86.7	Confident	1 Å²	1	46 Å²	46	1%	0.008	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.2	176	0	0	0	0	0	110.4	L875 L879 F909 V910 I944 K945	L875-A956 HydrophobicContact CD1-CB 4.45Å; L879-A956 HydrophobicContact CD2-CB 4.42Å; F909-A956 WeakPolarHBondContact O-CA 3.48Å; V910-A956 HydrophobicContact CG2-CB 4.29Å; I944-A956 WeakPolarHBondContact CA-O 3.31Å; I944-A956 HydrophobicContact CB-CB 4.25Å; I944-A956 WeakPolarHBondContact CB-O 3.07Å; I944-A956 PolarHBondContact N-O 2.9Å; K945-A956 PolarHBondContact N-O 2.76Å; K945-A956 VanDerWaalsContact N-O 3.13Å; K945-A956 PolarHBondContact O-N 3.37Å
957	A	94.7	Very high	86.4	Confident	5 Å²	5	49.4 Å²	49.4	4%	0.041	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	169.8	171.8	0	0	0	0	0	109.7	I908 F909 P941 K942 F955	I908-A957 CarbonylContact C-O 3.58Å; I908-A957 WeakPolarHBondContact CA-O 3.38Å; F909-A957 PolarHBondContact N-O 2.79Å; F909-A957 PolarHBondContact O-N 3.24Å; P941-A957 HydrophobicContact CB-CB 4.16Å; K942-A957 CarbonylContact O-C 3.58Å; K942-A957 WeakPolarHBondContact O-CA 3.22Å; F955-A957 HydrophobicContact CE1-CB 4.16Å; F955-A957 HydrophobicContact CZ-CB 3.87Å
958	E	94.5	Very high	86.7	Confident	59 Å²	59	56.3 Å²	56.3	28%	0.276	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	136.6	173.8	-177.6	-173.9	-173.2	0	0	112.4	R939 K942	R939-E958 IonicContact CZ-OE1 3.29Å; R939-E958 IonicContact CZ-OE2 3.84Å; R939-E958 VanDerWaalsContact CZ-OE2 3.24Å; R939-E958 IonicContact NH1-OE1 3.95Å; R939-E958 IonicContact NH1-OE2 3.33Å; R939-E958 PolarHBondContact NH1-OE2 3.22Å; R939-E958 IonicContact NH2-OE1 2.76Å; R939-E958 PolarHBondContact NH2-OE1 3.42Å; R939-E958 IonicContact NH2-OE2 3.34Å; R939-E958 PolarHBondContact NH2-OE2 3.44Å; K942-E958 HydrophobicContact CB-CB 4.02Å; K942-E958 PolarHBondContact N-OE2 3.34Å; K942-E958 VanDerWaalsContact N-OE2 3.13Å; K942-E958 PolarHBondContact O-N 2.98Å
959	Y	92.9	Very high	87.4	Confident	35 Å²	35	53.9 Å²	53.9	14%	0.137	27%	0.27	C	S	.	.			trans	-82.4	117.3	169	-166.2	-85.9	0	0	0	110.4	Y887 P907 F909 D961	Y887-Y959 HydrophobicContact CD1-CD1 4.42Å; Y887-Y959 HydrophobicContact CD1-CE1 4.32Å; Y887-Y959 HydrophobicContact CE1-CD1 4.13Å; Y887-Y959 AromaticContact CE1-CE1 3.97Å; Y887-Y959 HydrophobicContact CE1-CE1 3.97Å; P907-Y959 VanDerWaalsContact C-CB 3.48Å; P907-Y959 HydrophobicContact CB-CD1 4.48Å; P907-Y959 HydrophobicContact CB-CG 4.34Å; P907-Y959 WeakPolarHBondContact O-CB 3.1Å; P907-Y959 PolarHBondContact O-N 3.21Å; P907-Y959 VanDerWaalsContact O-N 3.11Å; F909-Y959 HydrophobicContact CB-CD2 3.98Å; F909-Y959 HydrophobicContact CD2-CD2 4.1Å; F909-Y959 HydrophobicContact CD2-CE2 4.14Å; Y959-D961 HydrophobicContact CE1-CB 4.47Å
960	I	91.9	Very high	88.5	Confident	15 Å²	15	53.3 Å²	53.3	8%	0.077	27%	0.267	C	S	.	.			trans	-95.2	113.6	175.3	-60	-180	0	0	0	109.2	R939 P941 M963 T1097 V1102	R939-I960 HydrophobicContact CG-CD1 4.48Å; P941-I960 HydrophobicContact CB-CD1 4.29Å; P941-I960 HydrophobicContact CG-CD1 3.87Å; I960-M963 HydrophobicContact CB-CE 4.24Å; I960-M963 HydrophobicContact CB-CG 4.23Å; I960-M963 HydrophobicContact CB-SD 4.14Å; I960-M963 HydrophobicContact CG2-CG 3.84Å; I960-M963 HydrophobicContact CG2-SD 4.27Å; I960-M963 WeakPolarHBondContact O-CE 3.33Å; I960-T1097 HydrophobicContact CG2-CG2 3.57Å; I960-V1102 HydrophobicContact CD1-CG1 3.59Å; I960-V1102 HydrophobicContact CG2-CG2 4.43Å
961	D	86.8	Confident	90.1	Very high	103 Å²	103	52.1 Å²	52.1	55%	0.551	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	157.4	179.3	-154.6	-6.3	0	0	0	112.5	Y887 Y959 M963	Y887-D961 PolarHBondContact OH-OD2 3.23Å; Y959-D961 HydrophobicContact CE1-CB 4.47Å; D961-M963 VanDerWaalsContact C-N 3.27Å; D961-M963 PolarHBondContact O-N 2.9Å
962	G	84.6	Confident	91.6	Very high	40 Å²	40	49.6 Å²	49.6	41%	0.412	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	22.1	175.8	0	0	0	0	0	114.7	S964	G962-S964 PolarHBondContact O-N 2.81Å
963	M	89.1	Confident	92.3	Very high	88 Å²	88	48.8 Å²	48.8	43%	0.433	25%	0.25	S	C	.	.			trans	-65.7	128.9	174	-73.5	-165	-74.5	0	0	110.9	I960 D961 A1095 T1097 V1102 F1104	I960-M963 HydrophobicContact CB-CE 4.24Å; I960-M963 HydrophobicContact CB-CG 4.23Å; I960-M963 HydrophobicContact CB-SD 4.14Å; I960-M963 HydrophobicContact CG2-CG 3.84Å; I960-M963 HydrophobicContact CG2-SD 4.27Å; I960-M963 WeakPolarHBondContact O-CE 3.33Å; D961-M963 VanDerWaalsContact C-N 3.27Å; D961-M963 PolarHBondContact O-N 2.9Å; M963-A1095 HydrophobicContact CB-CB 3.99Å; M963-A1095 HydrophobicContact CG-CB 4.12Å; M963-A1095 HydrophobicContact SD-CB 4.06Å; M963-T1097 HydrophobicContact CG-CG2 4.35Å; M963-V1102 HydrophobicContact SD-CG1 4.48Å; M963-F1104 HydrophobicContact SD-CD1 4.41Å; M963-F1104 HydrophobicContact SD-CE1 4.38Å
964	S	90.3	Very high	92.7	Very high	62 Å²	62	48.8 Å²	48.8	43%	0.434	25%	0.25	S	C	.	.	B	Isolated β-bridge	trans	-136	167.8	175.4	64.2	0	0	0	0	110.1	G962 L966 A1095 E1096	G962-S964 PolarHBondContact O-N 2.81Å; S964-L966 PolarHBondContact O-N 3.26Å; S964-A1095 CarbonylContact O-C 3.46Å; S964-A1095 VanDerWaalsContact O-CA 3.27Å; S964-A1095 WeakPolarHBondContact O-CA 3.36Å; S964-A1095 WeakPolarHBondContact O-CB 3.18Å; S964-E1096 PolarHBondContact N-O 3.11Å; S964-E1096 PolarHBondContact O-N 3.09Å; S964-E1096 WeakPolarHBondContact OG-CG 3.42Å; S964-E1096 PolarHBondContact OG-O 3.44Å; S964-E1096 VanDerWaalsContact OG-O 3.13Å
965	R	89.9	Confident	93.1	Very high	194 Å²	194	51.8 Å²	51.8	73%	0.732	26%	0.263	S	S	*	.			trans	-62.7	130.3	179	-175.7	178.6	-179.1	-177.4	1.4	110.5	N967	R965-N967 PolarHBondContact O-N 3.1Å; R965-N967 PolarHBondContact O-ND2 2.93Å; R965-N967 VanDerWaalsContact O-ND2 3.08Å
966	L	91.8	Very high	93.3	Very high	18 Å²	18	53.4 Å²	53.4	9%	0.094	27%	0.27	C	S	.	.	S	Bend	trans	-53.1	121.2	177	-177.2	77	0	0	0	111.5	S964 L973 V1094 E1096 P1101 F1126	S964-L966 PolarHBondContact O-N 3.26Å; L966-L973 HydrophobicContact CD2-CB 4.5Å; L966-L973 HydrophobicContact CD2-CD2 3.54Å; L966-V1094 HydrophobicContact CB-CG1 4.12Å; L966-V1094 HydrophobicContact CD2-CG1 3.85Å; L966-V1094 HydrophobicContact CG-CG1 4.42Å; L966-E1096 HydrophobicContact CD1-CB 4.08Å; L966-P1101 HydrophobicContact CD1-CB 3.85Å; L966-F1126 HydrophobicContact CD2-CD1 4.39Å
967	N	87.8	Confident	93.4	Very high	101 Å²	101	53.4 Å²	53.4	54%	0.54	27%	0.27	S	S	.	.			trans	-142	-64.8	174.1	-78.4	-68.6	0	0	0	110	R965 Y969 E1096	R965-N967 PolarHBondContact O-N 3.1Å; R965-N967 PolarHBondContact O-ND2 2.93Å; R965-N967 VanDerWaalsContact O-ND2 3.08Å; N967-Y969 PolarHBondContact O-N 3.33Å; N967-E1096 PolarHBondContact N-OE1 3Å; N967-E1096 PolarHBondContact N-OE2 2.96Å
968	K	92.7	Very high	93.6	Very high	150 Å²	150	53.1 Å²	53.1	65%	0.652	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-37.5	-172.4	-177.5	-177.7	174.3	-163.7	0	112.3	E1096	K968-E1096 PolarHBondContact N-OE1 2.81Å; K968-E1096 VanDerWaalsContact N-OE1 3.13Å; K968-E1096 PolarHBondContact N-OE2 3.24Å
969	Y	96	Very high	93.8	Very high	45 Å²	45	56.4 Å²	56.4	18%	0.176	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	19.1	-172.1	-63.1	-75.8	0	0	0	114	N967 A971 L972 L973 E1096 P1098	N967-Y969 PolarHBondContact O-N 3.33Å; Y969-A971 PolarHBondContact O-N 3.2Å; Y969-L972 HydrophobicContact CD1-CD2 3.87Å; Y969-L972 WeakPolarHBondContact O-CB 3.3Å; Y969-L972 PolarHBondContact O-N 3.47Å; Y969-L973 PolarHBondContact O-N 2.7Å; Y969-E1096 HydrophobicContact CD2-CB 4.06Å; Y969-E1096 HydrophobicContact CD2-CG 4.44Å; Y969-E1096 PolarHBondContact N-OE2 2.85Å; Y969-P1098 PolarHBondContact OH-O 3.33Å
970	S	94.9	Very high	94	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.014	27%	0.272	C	S	.	.	H	α-helix	trans	-59	-45.2	-174.9	-166.3	0	0	0	0	113.7	L972 L973 G974 N1127 F1130	S970-L972 VanDerWaalsContact C-N 3.33Å; S970-L972 PolarHBondContact O-N 3.16Å; S970-L973 PolarHBondContact O-N 2.81Å; S970-G974 PolarHBondContact O-N 3.07Å; S970-G974 VanDerWaalsContact O-N 3.15Å; S970-N1127 WeakPolarHBondContact CB-ND2 3.15Å; S970-N1127 PolarHBondContact OG-ND2 3.27Å; S970-N1127 PolarHBondContact OG-OD1 3.34Å; S970-N1127 VanDerWaalsContact OG-OD1 3.04Å; S970-F1130 WeakPolarHBondContact O-CA 3.45Å; S970-F1130 WeakPolarHBondContact OG-CB 3.36Å
971	A	96.8	Very high	94.3	Very high	36 Å²	36	54.4 Å²	54.4	30%	0.298	27%	0.269	S	S	.	.	H	α-helix	trans	-65.1	-35	174.6	0	0	0	0	0	112.9	Y969 G974 K975 Q1129 A1133	Y969-A971 PolarHBondContact O-N 3.2Å; A971-G974 PolarHBondContact O-N 3.43Å; A971-K975 PolarHBondContact O-N 2.93Å; A971-K975 VanDerWaalsContact O-N 3.16Å; A971-Q1129 HydrophobicContact CB-CB 4.29Å; A971-A1133 HydrophobicContact CB-CB 3.88Å; A971-A1133 WeakPolarHBondContact O-CB 3.29Å
972	L	98.1	Very high	94.8	Very high	62 Å²	62	52.7 Å²	52.7	33%	0.325	26%	0.259	S	S	.	.	H	α-helix	trans	-66.8	-43	177.7	177.8	59	0	0	0	110.8	Y969 S970 G974 K975 Q976 P1101	Y969-L972 HydrophobicContact CD1-CD2 3.87Å; Y969-L972 WeakPolarHBondContact O-CB 3.3Å; Y969-L972 PolarHBondContact O-N 3.47Å; S970-L972 VanDerWaalsContact C-N 3.33Å; S970-L972 PolarHBondContact O-N 3.16Å; L972-G974 VanDerWaalsContact C-N 3.29Å; L972-G974 PolarHBondContact O-N 3.41Å; L972-K975 PolarHBondContact O-N 3.49Å; L972-Q976 HydrophobicContact CD1-CG 4.13Å; L972-Q976 HydrophobicContact CG-CG 4.41Å; L972-Q976 WeakPolarHBondContact O-CG 3.36Å; L972-Q976 PolarHBondContact O-N 2.78Å; L972-P1101 HydrophobicContact CG-CG 4.38Å
973	L	97.6	Very high	95.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.9	-42.9	174.3	-179.5	63.1	0	0	0	111.1	V938 L966 Y969 S970 K975 Q976 L977 V1094 P1101 I1103 F1130	V938-L973 HydrophobicContact CG1-CD1 3.77Å; L966-L973 HydrophobicContact CD2-CB 4.5Å; L966-L973 HydrophobicContact CD2-CD2 3.54Å; Y969-L973 PolarHBondContact O-N 2.7Å; S970-L973 PolarHBondContact O-N 2.81Å; L973-K975 VanDerWaalsContact C-N 3.33Å; L973-K975 PolarHBondContact O-N 2.79Å; L973-Q976 PolarHBondContact O-N 3.29Å; L973-L977 WeakPolarHBondContact O-CB 3.38Å; L973-L977 PolarHBondContact O-N 3.29Å; L973-V1094 HydrophobicContact CD2-CG1 3.49Å; L973-V1094 VanDerWaalsContact CD2-CG1 3.49Å; L973-P1101 HydrophobicContact CB-CB 3.8Å; L973-P1101 HydrophobicContact CB-CG 3.9Å; L973-P1101 HydrophobicContact CD1-CB 4.05Å; L973-P1101 HydrophobicContact CD1-CG 4.21Å; L973-P1101 HydrophobicContact CG-CB 4.34Å; L973-I1103 HydrophobicContact CD1-CG2 3.75Å; L973-F1130 HydrophobicContact CB-CD2 4.22Å; L973-F1130 HydrophobicContact CB-CE2 4.46Å; L973-F1130 HydrophobicContact CD2-CD2 4.14Å; L973-F1130 HydrophobicContact CD2-CE2 4.03Å; L973-F1130 HydrophobicContact CG-CD2 4.07Å; L973-F1130 HydrophobicContact CG-CE2 3.87Å
974	G	97.2	Very high	95.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-55.9	-45.6	175.6	0	0	0	0	0	112.6	S970 A971 L972 A978 Y1134	S970-G974 PolarHBondContact O-N 3.07Å; S970-G974 VanDerWaalsContact O-N 3.15Å; A971-G974 PolarHBondContact O-N 3.43Å; L972-G974 VanDerWaalsContact C-N 3.29Å; L972-G974 PolarHBondContact O-N 3.41Å; G974-A978 WeakPolarHBondContact O-CB 3.29Å; G974-A978 PolarHBondContact O-N 3.41Å; G974-Y1134 WeakPolarHBondContact O-CD2 3.39Å
975	K	98.4	Very high	95.7	Very high	69 Å²	69	47.7 Å²	47.7	30%	0.3	22%	0.222	S	C	.	.	H	α-helix	trans	-67.7	-40.6	176.9	-68.8	-175.8	-178.9	-163.3	0	113	A971 L972 L973 A978 R979 A1133 E1136 L1137	A971-K975 PolarHBondContact O-N 2.93Å; A971-K975 VanDerWaalsContact O-N 3.16Å; L972-K975 PolarHBondContact O-N 3.49Å; L973-K975 VanDerWaalsContact C-N 3.33Å; L973-K975 PolarHBondContact O-N 2.79Å; K975-A978 PolarHBondContact O-N 3.45Å; K975-R979 WeakPolarHBondContact O-CG 3.29Å; K975-R979 PolarHBondContact O-N 3.38Å; K975-A1133 HydrophobicContact CG-CB 4.04Å; K975-E1136 WeakPolarHBondContact CE-OE2 3.42Å; K975-E1136 IonicContact NZ-OE2 3.73Å; K975-E1136 PolarHBondContact NZ-OE2 3.19Å; K975-L1137 HydrophobicContact CB-CD1 4.2Å; K975-L1137 HydrophobicContact CG-CD1 4.32Å
976	Q	98.2	Very high	95.9	Very high	37 Å²	37	43.2 Å²	43.2	17%	0.173	21%	0.21	C	C	.	.	H	α-helix	trans	-69.7	-38.4	179.7	-73.7	-179.9	-48	0	0	112	C937 V938 L972 L973 R979 L980	C937-Q976 WeakPolarHBondContact O-CB 3.47Å; C937-Q976 WeakPolarHBondContact O-CG 3.27Å; V938-Q976 HydrophobicContact CB-CB 4.46Å; V938-Q976 HydrophobicContact CG2-CB 3.6Å; L972-Q976 HydrophobicContact CD1-CG 4.13Å; L972-Q976 HydrophobicContact CG-CG 4.41Å; L972-Q976 WeakPolarHBondContact O-CG 3.36Å; L972-Q976 PolarHBondContact O-N 2.78Å; L973-Q976 PolarHBondContact O-N 3.29Å; Q976-R979 WeakPolarHBondContact O-CB 3.37Å; Q976-R979 PolarHBondContact O-N 3.34Å; Q976-L980 PolarHBondContact O-N 3.19Å
977	L	97.9	Very high	95.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.7	-41	173.8	-172.4	69.8	0	0	0	111.4	L973 R979 L980 H981 L1089 E1116 F1130 Y1134	L973-L977 WeakPolarHBondContact O-CB 3.38Å; L973-L977 PolarHBondContact O-N 3.29Å; L977-R979 VanDerWaalsContact C-N 3.3Å; L977-R979 PolarHBondContact O-N 2.8Å; L977-L980 HydrophobicContact CD1-CD2 4.13Å; L977-L980 WeakPolarHBondContact O-CB 3.45Å; L977-L980 PolarHBondContact O-N 2.66Å; L977-H981 PolarHBondContact O-N 3.35Å; L977-L1089 HydrophobicContact CD1-CD2 4Å; L977-L1089 HydrophobicContact CD2-CD2 3.66Å; L977-L1089 HydrophobicContact CG-CD2 4.49Å; L977-E1116 HydrophobicContact CD2-CG 4.46Å; L977-F1130 HydrophobicContact CD2-CE2 4.06Å; L977-F1130 HydrophobicContact CD2-CZ 3.58Å; L977-Y1134 HydrophobicContact CB-CD2 4.27Å; L977-Y1134 HydrophobicContact CB-CE2 4.44Å; L977-Y1134 HydrophobicContact CD2-CD2 4.26Å; L977-Y1134 HydrophobicContact CD2-CE2 4.23Å; L977-Y1134 HydrophobicContact CG-CD2 4.36Å; L977-Y1134 HydrophobicContact CG-CE2 4.15Å
978	A	98.1	Very high	95.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.9	-40.3	173.3	0	0	0	0	0	111.9	G974 K975 H981 M982 Y1134 L1137 I1138	G974-A978 WeakPolarHBondContact O-CB 3.29Å; G974-A978 PolarHBondContact O-N 3.41Å; K975-A978 PolarHBondContact O-N 3.45Å; A978-H981 PolarHBondContact O-N 2.95Å; A978-M982 WeakPolarHBondContact O-CG 3.16Å; A978-M982 PolarHBondContact O-N 3.15Å; A978-Y1134 HydrophobicContact CB-CD2 3.68Å; A978-Y1134 HydrophobicContact CB-CE2 3.86Å; A978-Y1134 HydrophobicContact CB-CG 4.15Å; A978-L1137 HydrophobicContact CB-CB 3.79Å; A978-L1137 HydrophobicContact CB-CD1 3.91Å; A978-L1137 HydrophobicContact CB-CG 4.46Å; A978-I1138 HydrophobicContact CB-CD1 4.02Å; A978-I1138 HydrophobicContact CB-CG1 4.2Å; A978-I1138 WeakPolarHBondContact O-CD1 3.08Å
979	R	98	Very high	95.6	Very high	128 Å²	128	40.4 Å²	40.4	48%	0.483	20%	0.195	S	C	.	.	H	α-helix	trans	-62.6	-42.1	173.8	-72.4	170.7	-176.5	150.2	-0.5	112.3	K975 Q976 L977 H981 M982 H983 L1137	K975-R979 WeakPolarHBondContact O-CG 3.29Å; K975-R979 PolarHBondContact O-N 3.38Å; Q976-R979 WeakPolarHBondContact O-CB 3.37Å; Q976-R979 PolarHBondContact O-N 3.34Å; L977-R979 VanDerWaalsContact C-N 3.3Å; L977-R979 PolarHBondContact O-N 2.8Å; R979-H981 VanDerWaalsContact C-N 3.32Å; R979-H981 PolarHBondContact O-N 2.96Å; R979-M982 PolarHBondContact O-N 3.15Å; R979-H983 PolarHBondContact O-N 2.83Å; R979-L1137 HydrophobicContact CG-CD1 4.44Å
980	L	97.6	Very high	94.9	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-57.4	-47.5	173.8	-179.9	68.2	0	0	0	110.9	L932 A935 C937 Q976 L977 M982 H983 L1084	L932-L980 HydrophobicContact CD2-CD1 4.15Å; L932-L980 HydrophobicContact CD2-CD2 3.65Å; A935-L980 HydrophobicContact CB-CD1 3.68Å; C937-L980 HydrophobicContact CB-CB 3.76Å; C937-L980 HydrophobicContact CB-CD1 4.08Å; Q976-L980 PolarHBondContact O-N 3.19Å; L977-L980 HydrophobicContact CD1-CD2 4.13Å; L977-L980 WeakPolarHBondContact O-CB 3.45Å; L977-L980 PolarHBondContact O-N 2.66Å; L980-M982 VanDerWaalsContact C-N 3.27Å; L980-M982 PolarHBondContact O-N 3.26Å; L980-H983 WeakPolarHBondContact O-CB 3.19Å; L980-H983 PolarHBondContact O-N 3.25Å; L980-H983 VanDerWaalsContact O-N 3.1Å; L980-L1084 HydrophobicContact CD1-CD2 4.22Å
981	H	98	Very high	94.2	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.028	22%	0.219	C	C	.	.	H	α-helix	trans	-68.1	-24.5	179.6	-67.3	174	0	0	0	113.4	L977 A978 R979 C1083 S1113 Y1134 I1138	L977-H981 PolarHBondContact O-N 3.35Å; A978-H981 PolarHBondContact O-N 2.95Å; R979-H981 VanDerWaalsContact C-N 3.32Å; R979-H981 PolarHBondContact O-N 2.96Å; H981-C1083 HydrophobicContact CB-CB 4.38Å; H981-C1083 WeakPolarHBondContact O-CB 3.47Å; H981-S1113 PolarHBondContact CE1-O 2.66Å; H981-Y1134 AromaticContact ND1-CE2 3.5Å; H981-Y1134 AromaticContact ND1-CZ 3.59Å; H981-Y1134 PolarHBondContact ND1-OH 3.48Å; H981-I1138 HydrophobicContact CB-CD1 3.78Å
982	M	96.9	Very high	93	Very high	66 Å²	66	46.1 Å²	46.1	33%	0.325	23%	0.231	S	C	.	.	H	α-helix	trans	-85	-17.5	172.4	-68	174	72.2	0	0	113.5	A978 R979 L980 N984 S985 Q986 I1138	A978-M982 WeakPolarHBondContact O-CG 3.16Å; A978-M982 PolarHBondContact O-N 3.15Å; R979-M982 PolarHBondContact O-N 3.15Å; L980-M982 VanDerWaalsContact C-N 3.27Å; L980-M982 PolarHBondContact O-N 3.26Å; M982-N984 PolarHBondContact O-N 2.93Å; M982-S985 PolarHBondContact O-N 3.02Å; M982-S985 VanDerWaalsContact O-N 3.16Å; M982-Q986 WeakPolarHBondContact O-CG 3.4Å; M982-Q986 PolarHBondContact O-N 3.33Å; M982-I1138 HydrophobicContact CG-CD1 3.88Å; M982-I1138 HydrophobicContact CG-CG1 3.98Å; M982-I1138 HydrophobicContact SD-CG1 4.09Å
983	H	95.3	Very high	91.7	Very high	33 Å²	33	48.8 Å²	48.8	15%	0.153	24%	0.242	C	C	.	.	H	α-helix	trans	-56.1	-49.1	-169.8	-177.6	72.4	0	0	0	112.1	R979 L980 S985 Q986 L987	R979-H983 PolarHBondContact O-N 2.83Å; L980-H983 WeakPolarHBondContact O-CB 3.19Å; L980-H983 PolarHBondContact O-N 3.25Å; L980-H983 VanDerWaalsContact O-N 3.1Å; H983-S985 PolarHBondContact O-N 3.15Å; H983-Q986 WeakPolarHBondContact O-CB 3.45Å; H983-Q986 PolarHBondContact O-N 3.43Å; H983-Q986 VanDerWaalsContact O-N 3.16Å; H983-L987 WeakPolarHBondContact O-CG 3.21Å; H983-L987 PolarHBondContact O-N 3Å
984	N	95.7	Very high	89.9	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.016	27%	0.273	C	S	.	.	H	α-helix	trans	-65	-39.2	-179.6	-171.2	57.6	0	0	0	112.5	M982 Q986 L987 L988 V1010 P1082 Y1110	M982-N984 PolarHBondContact O-N 2.93Å; N984-Q986 VanDerWaalsContact C-N 3.28Å; N984-Q986 PolarHBondContact O-N 3.26Å; N984-L987 WeakPolarHBondContact O-CB 3.16Å; N984-L987 PolarHBondContact O-N 3.21Å; N984-L988 WeakPolarHBondContact O-CG 3.28Å; N984-L988 PolarHBondContact O-N 2.88Å; N984-V1010 PolarHBondContact ND2-O 3.21Å; N984-V1010 PolarHBondContact OD1-N 3.38Å; N984-P1082 PolarHBondContact ND2-O 2.94Å; N984-Y1110 HydrophobicContact CB-CE1 4.11Å
985	S	93.9	Very high	87.8	Confident	49 Å²	49	65.3 Å²	65.3	34%	0.343	31%	0.311	S	S	.	.	H	α-helix	trans	-63.8	-35.6	174.9	-53.6	0	0	0	0	112.2	M982 H983 K989 V1081	M982-S985 PolarHBondContact O-N 3.02Å; M982-S985 VanDerWaalsContact O-N 3.16Å; H983-S985 PolarHBondContact O-N 3.15Å; S985-K989 WeakPolarHBondContact O-CB 3.18Å; S985-K989 PolarHBondContact O-N 3.22Å; S985-V1081 WeakPolarHBondContact OG-CG1 3.49Å
986	Q	92.3	Very high	85.4	Confident	101 Å²	101	66.3 Å²	66.3	47%	0.472	33%	0.327	S	S	.	.	H	α-helix	trans	-68.1	-40.4	174.3	-68.5	169.5	-2.4	0	0	111.6	M982 H983 N984 K989 A990	M982-Q986 WeakPolarHBondContact O-CG 3.4Å; M982-Q986 PolarHBondContact O-N 3.33Å; H983-Q986 WeakPolarHBondContact O-CB 3.45Å; H983-Q986 PolarHBondContact O-N 3.43Å; H983-Q986 VanDerWaalsContact O-N 3.16Å; N984-Q986 VanDerWaalsContact C-N 3.28Å; N984-Q986 PolarHBondContact O-N 3.26Å; Q986-K989 PolarHBondContact O-N 3.4Å; Q986-A990 VanDerWaalsContact O-CB 3.27Å; Q986-A990 WeakPolarHBondContact O-CB 3.46Å; Q986-A990 PolarHBondContact O-N 2.87Å
987	L	89.9	Confident	82.6	Confident	42 Å²	42	75.3 Å²	75.3	22%	0.22	36%	0.359	C	S	.	.	H	α-helix	trans	-62.6	-45.4	174.1	-72.4	-179.1	0	0	0	111.8	H983 N984 K989 A990 Q991 I1007 P1009	H983-L987 WeakPolarHBondContact O-CG 3.21Å; H983-L987 PolarHBondContact O-N 3Å; N984-L987 WeakPolarHBondContact O-CB 3.16Å; N984-L987 PolarHBondContact O-N 3.21Å; L987-K989 PolarHBondContact O-N 3.39Å; L987-A990 PolarHBondContact O-N 3.48Å; L987-Q991 WeakPolarHBondContact O-CB 3.5Å; L987-Q991 PolarHBondContact O-N 3.42Å; L987-I1007 HydrophobicContact CD1-CB 4.25Å; L987-I1007 HydrophobicContact CD1-CG2 3.62Å; L987-P1009 HydrophobicContact CB-CB 4.09Å; L987-P1009 HydrophobicContact CB-CG 4.03Å
988	L	89.9	Confident	79.6	Confident	37 Å²	37	81.7 Å²	81.7	19%	0.194	40%	0.398	C	S	.	.	H	α-helix	trans	-61.4	-43.5	175.9	-72.3	168	0	0	0	111.6	N984 Q991 S992 P1009 T1011 V1081	N984-L988 WeakPolarHBondContact O-CG 3.28Å; N984-L988 PolarHBondContact O-N 2.88Å; L988-Q991 PolarHBondContact O-N 3.11Å; L988-S992 PolarHBondContact O-N 3.01Å; L988-S992 PolarHBondContact O-OG 3.37Å; L988-P1009 HydrophobicContact CD2-CB 3.62Å; L988-P1009 HydrophobicContact CG-CB 4.01Å; L988-T1011 HydrophobicContact CD2-CG2 3.63Å; L988-V1081 HydrophobicContact CD1-CG1 3.91Å
989	K	86.9	Confident	76.9	Confident	130 Å²	130	87.3 Å²	87.3	57%	0.565	43%	0.433	S	S	*	.	H	α-helix	trans	-62.6	-47.4	174.7	-176.1	176.6	173.6	179.2	0	111.3	S985 Q986 L987 Q991 S992 E993	S985-K989 WeakPolarHBondContact O-CB 3.18Å; S985-K989 PolarHBondContact O-N 3.22Å; Q986-K989 PolarHBondContact O-N 3.4Å; L987-K989 PolarHBondContact O-N 3.39Å; K989-Q991 VanDerWaalsContact C-N 3.29Å; K989-Q991 PolarHBondContact O-N 3.03Å; K989-S992 WeakPolarHBondContact CA-OG 3.38Å; K989-S992 PolarHBondContact O-N 3.1Å; K989-S992 PolarHBondContact O-OG 3.5Å; K989-E993 WeakPolarHBondContact CE-OE1 3.48Å; K989-E993 IonicContact NZ-OE1 2.69Å; K989-E993 WeakPolarHBondContact O-CG 3.5Å; K989-E993 PolarHBondContact O-N 3.47Å
990	A	82.5	Confident	74	Confident	30 Å²	30	88 Å²	88	25%	0.248	45%	0.446	C	S	.	.	H	α-helix	trans	-62.8	-35.5	177.5	0	0	0	0	0	112	Q986 L987 E993 R994	Q986-A990 VanDerWaalsContact O-CB 3.27Å; Q986-A990 WeakPolarHBondContact O-CB 3.46Å; Q986-A990 PolarHBondContact O-N 2.87Å; L987-A990 PolarHBondContact O-N 3.48Å; A990-E993 PolarHBondContact O-N 3.12Å; A990-R994 WeakPolarHBondContact O-CB 3.16Å; A990-R994 WeakPolarHBondContact O-CG 3.48Å; A990-R994 PolarHBondContact O-N 2.98Å
991	Q	78.8	Confident	71.3	Confident	96 Å²	96	98.5 Å²	98.5	45%	0.449	49%	0.485	S	S	.	.	H	α-helix	trans	-65	-46	173.8	-172.1	179.1	27.5	0	0	110.8	L987 L988 K989 E993 R994 E995 P1009	L987-Q991 WeakPolarHBondContact O-CB 3.5Å; L987-Q991 PolarHBondContact O-N 3.42Å; L988-Q991 PolarHBondContact O-N 3.11Å; K989-Q991 VanDerWaalsContact C-N 3.29Å; K989-Q991 PolarHBondContact O-N 3.03Å; Q991-E993 PolarHBondContact O-N 3.36Å; Q991-R994 PolarHBondContact O-N 3.13Å; Q991-E995 PolarHBondContact O-N 3.39Å; Q991-E995 VanDerWaalsContact O-N 3.15Å; Q991-P1009 HydrophobicContact CB-CG 4.03Å; Q991-P1009 HydrophobicContact CG-CG 4.37Å
992	S	71.5	Confident	68.4	Low	77 Å²	77	106.9 Å²	106.9	54%	0.538	52%	0.524	S	S	.	.	H	α-helix	trans	-62.3	-28.9	175.4	71	0	0	0	0	113.3	L988 K989	L988-S992 PolarHBondContact O-N 3.01Å; L988-S992 PolarHBondContact O-OG 3.37Å; K989-S992 WeakPolarHBondContact CA-OG 3.38Å; K989-S992 PolarHBondContact O-N 3.1Å; K989-S992 PolarHBondContact O-OG 3.5Å
993	E	70.2	Confident	66.1	Low	119 Å²	119	109.6 Å²	109.6	56%	0.556	54%	0.54	S	S	*	.	H	α-helix	trans	-84	-32.4	174.8	-69.2	172	177.8	0	0	112.6	K989 A990 Q991 E995	K989-E993 WeakPolarHBondContact CE-OE1 3.48Å; K989-E993 IonicContact NZ-OE1 2.69Å; K989-E993 WeakPolarHBondContact O-CG 3.5Å; K989-E993 PolarHBondContact O-N 3.47Å; A990-E993 PolarHBondContact O-N 3.12Å; Q991-E993 PolarHBondContact O-N 3.36Å; E993-E995 VanDerWaalsContact C-N 3.35Å
994	R	60.3	Low	64.2	Low	176 Å²	176	116.4 Å²	116.4	66%	0.664	57%	0.572	S	S	*	*	H	α-helix	trans	-79.1	-9.5	-179.8	-80.4	-178.5	-170.1	-172.2	5.3	114.5	A990 Q991 S996 W997	A990-R994 WeakPolarHBondContact O-CB 3.16Å; A990-R994 WeakPolarHBondContact O-CG 3.48Å; A990-R994 PolarHBondContact O-N 2.98Å; Q991-R994 PolarHBondContact O-N 3.13Å; R994-S996 PolarHBondContact O-N 2.95Å; R994-W997 PolarHBondContact O-N 2.98Å
995	E	54	Low	62.4	Low	170 Å²	170	119.2 Å²	119.2	79%	0.794	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55	-1.7	163.5	-74.7	-174.8	174	0	0	113	Q991 E993	Q991-E995 PolarHBondContact O-N 3.39Å; Q991-E995 VanDerWaalsContact O-N 3.15Å; E993-E995 VanDerWaalsContact C-N 3.35Å
996	S	47.1	Very low	61	Low	91 Å²	91	121.6 Å²	121.6	64%	0.636	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	-13.4	166.9	-64.9	0	0	0	0	118.1	R994	R994-S996 PolarHBondContact O-N 2.95Å
997	W	39.6	Very low	60.3	Low	225 Å²	225	118.5 Å²	118.5	85%	0.852	58%	0.583	S	S	*	*			trans	-154.9	136.8	178.1	-65.7	90.3	0	0	0	115.1	R994	R994-W997 PolarHBondContact O-N 2.98Å
998	V	35.1	Very low	60	Low	134 Å²	134	123.9 Å²	123.9	81%	0.812	61%	0.607	S	S	*	*			trans	-94.4	125.8	-179.1	178.9	0	0	0	0	111.3
999	T	42.1	Very low	60	Low	118 Å²	118	124 Å²	124	72%	0.724	61%	0.61	S	S	*	*			trans	-149.5	136.7	159.1	59.9	0	0	0	0	111.5
1000	D	36.9	Very low	60.4	Low	143 Å²	143	118.9 Å²	118.9	77%	0.765	59%	0.59	S	S	*	*			trans	-83.6	128.5	176.3	-65.2	-39.4	0	0	0	112
1001	R	40.7	Very low	61	Low	222 Å²	222	122.2 Å²	122.2	84%	0.838	61%	0.607	S	S	*	*			trans	-131.4	128.4	157.1	-74.6	-165.2	-166.5	-164.4	4	109.1
1002	H	37.7	Very low	61.9	Low	182 Å²	182	121.3 Å²	121.3	84%	0.843	60%	0.602	S	S	*	*			trans	-100	105.3	173.8	-77.8	-83.3	0	0	0	109
1003	D	46.7	Very low	63.1	Low	124 Å²	124	118 Å²	118	66%	0.663	58%	0.578	S	S	*	*			trans	-111.4	151	157.6	-75.5	-36.7	0	0	0	107.6	F1005	D1003-F1005 PolarHBondContact O-N 3.18Å; D1003-F1005 VanDerWaalsContact O-N 3.14Å
1004	E	56.3	Low	64.4	Low	176 Å²	176	112.3 Å²	112.3	82%	0.822	55%	0.551	S	S	*	*	S	Bend	trans	-65.7	-17.2	-175.2	-153.8	174.8	-155.7	0	0	113.1
1005	F	57.8	Low	66.2	Low	62 Å²	62	104.2 Å²	104.2	27%	0.272	52%	0.521	S	S	.	.	S	Bend	trans	-129.5	83	179.1	-61.7	-82.2	0	0	0	110.8	Y933 A934 D1003	Y933-F1005 HydrophobicContact CD1-CD2 4.48Å; A934-F1005 HydrophobicContact CB-CB 3.76Å; D1003-F1005 PolarHBondContact O-N 3.18Å; D1003-F1005 VanDerWaalsContact O-N 3.14Å
1006	T	65.5	Low	68.2	Low	99 Å²	99	101.9 Å²	101.9	61%	0.607	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-96.4	133.3	174.3	48.5	0	0	0	0	111.4
1007	I	76.3	Confident	70.5	Confident	36 Å²	36	101.5 Å²	101.5	19%	0.185	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-98	123.9	170.5	-67	-178.9	0	0	0	109.6	A931 A934 A935 L987	A931-I1007 WeakPolarHBondContact O-CD1 3.2Å; A934-I1007 HydrophobicContact CB-CD1 3.81Å; A934-I1007 HydrophobicContact CB-CG1 3.63Å; A935-I1007 HydrophobicContact CB-CD1 3.66Å; A935-I1007 VanDerWaalsContact N-CD1 3.34Å; L987-I1007 HydrophobicContact CD1-CB 4.25Å; L987-I1007 HydrophobicContact CD1-CG2 3.62Å
1008	E	84.6	Confident	73.2	Confident	154 Å²	154	93.5 Å²	93.5	72%	0.72	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-83.1	147.1	169.2	-64.3	-171.2	161.9	0	0	111.2	V1010	E1008-V1010 PolarHBondContact O-N 3.3Å
1009	P	89.9	Confident	76.1	Confident	39 Å²	39	87.1 Å²	87.1	25%	0.253	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-60.7	132.6	173	-14.7	26.1	0	0	0	111.4	L987 L988 Q991	L987-P1009 HydrophobicContact CB-CB 4.09Å; L987-P1009 HydrophobicContact CB-CG 4.03Å; L988-P1009 HydrophobicContact CD2-CB 3.62Å; L988-P1009 HydrophobicContact CG-CB 4.01Å; Q991-P1009 HydrophobicContact CB-CG 4.03Å; Q991-P1009 HydrophobicContact CG-CG 4.37Å
1010	V	93.9	Very high	78.6	Confident	24 Å²	24	82.4 Å²	82.4	15%	0.145	41%	0.406	C	S	.	.			trans	-112.1	123.6	-177.3	177.5	0	0	0	0	110.8	N984 E1008 K1012 W1030 Y1110	N984-V1010 PolarHBondContact ND2-O 3.21Å; N984-V1010 PolarHBondContact OD1-N 3.38Å; E1008-V1010 PolarHBondContact O-N 3.3Å; V1010-K1012 VanDerWaalsContact CG1-O 3.23Å; V1010-K1012 WeakPolarHBondContact CG1-O 3.21Å; V1010-W1030 HydrophobicContact CG1-CE3 4.46Å; V1010-W1030 HydrophobicContact CG1-CH2 3.81Å; V1010-W1030 HydrophobicContact CG1-CZ3 3.51Å; V1010-Y1110 HydrophobicContact CB-CD1 3.82Å; V1010-Y1110 HydrophobicContact CB-CD2 4.43Å; V1010-Y1110 HydrophobicContact CB-CE1 3.7Å; V1010-Y1110 HydrophobicContact CB-CE2 4.36Å; V1010-Y1110 HydrophobicContact CB-CG 4.19Å; V1010-Y1110 HydrophobicContact CG1-CD1 3.98Å; V1010-Y1110 HydrophobicContact CG1-CD2 4.14Å; V1010-Y1110 HydrophobicContact CG1-CE1 4.31Å; V1010-Y1110 HydrophobicContact CG1-CE2 4.49Å; V1010-Y1110 HydrophobicContact CG1-CG 3.88Å; V1010-Y1110 HydrophobicContact CG2-CD1 4.26Å; V1010-Y1110 HydrophobicContact CG2-CD2 4.25Å; V1010-Y1110 HydrophobicContact CG2-CE1 3.76Å; V1010-Y1110 HydrophobicContact CG2-CE2 3.78Å; V1010-Y1110 HydrophobicContact CG2-CG 4.48Å; V1010-Y1110 VanDerWaalsContact CG2-CZ 3.5Å
1011	T	95.1	Very high	81	Confident	99 Å²	99	75.8 Å²	75.8	61%	0.607	37%	0.371	S	S	*	.			trans	-96.7	-9.5	-179.9	54	0	0	0	0	114.2	L988	L988-T1011 HydrophobicContact CD2-CG2 3.63Å
1012	K	97.6	Very high	83	Confident	78 Å²	78	66.3 Å²	66.3	34%	0.339	34%	0.343	S	S	.	.	S	Bend	trans	-117.4	160.1	-174.8	-60.9	-168	-176.8	-125.8	0	112.6	V1010 W1030 S1031 D1032 P1082	V1010-K1012 VanDerWaalsContact CG1-O 3.23Å; V1010-K1012 WeakPolarHBondContact CG1-O 3.21Å; K1012-W1030 HydrophobicContact CB-CB 4.36Å; K1012-W1030 HydrophobicContact CB-CD2 4.49Å; K1012-W1030 HydrophobicContact CB-CE3 3.79Å; K1012-W1030 HydrophobicContact CD-CB 4.18Å; K1012-W1030 WeakPolarHBondContact O-CZ3 3.45Å; K1012-S1031 WeakPolarHBondContact CB-O 3.06Å; K1012-D1032 WeakPolarHBondContact CD-OD1 3.29Å; K1012-D1032 WeakPolarHBondContact CE-OD1 3.23Å; K1012-D1032 WeakPolarHBondContact CG-OD1 3.43Å; K1012-D1032 VanDerWaalsContact NZ-CG 3.28Å; K1012-D1032 IonicContact NZ-OD1 2.82Å; K1012-D1032 PolarHBondContact NZ-OD1 3.28Å; K1012-D1032 IonicContact NZ-OD2 2.63Å; K1012-D1032 PolarHBondContact NZ-OD2 3.02Å; K1012-P1082 WeakPolarHBondContact O-CB 3.47Å; K1012-P1082 WeakPolarHBondContact O-CG 3.06Å
1013	F	98.3	Very high	85.3	Confident	7 Å²	7	62.5 Å²	62.5	3%	0.031	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-88	135.1	172	-56.1	-76.4	0	0	0	110.6	W1030 S1031 W1034 F1037 I1080 P1082 Y1110	F1013-W1030 CarbonylContact O-C 3.58Å; F1013-W1030 VanDerWaalsContact O-CA 3.25Å; F1013-W1030 WeakPolarHBondContact O-CA 3.4Å; F1013-S1031 PolarHBondContact N-O 3.02Å; F1013-S1031 PolarHBondContact O-N 3.28Å; F1013-W1034 HydrophobicContact CB-CE3 4.39Å; F1013-W1034 HydrophobicContact CD1-CB 4.28Å; F1013-W1034 HydrophobicContact CD1-CD2 4.42Å; F1013-W1034 AromaticContact CD1-CE3 3.59Å; F1013-W1034 HydrophobicContact CD1-CE3 3.59Å; F1013-W1034 HydrophobicContact CD1-CZ3 4.36Å; F1013-W1034 HydrophobicContact CD2-CB 4.1Å; F1013-W1034 HydrophobicContact CE1-CB 3.88Å; F1013-W1034 HydrophobicContact CE1-CD2 4.46Å; F1013-W1034 HydrophobicContact CE1-CE3 4.03Å; F1013-W1034 HydrophobicContact CE1-CG 4.43Å; F1013-W1034 HydrophobicContact CE2-CB 3.73Å; F1013-W1034 VanDerWaalsContact CE2-N 3.29Å; F1013-W1034 HydrophobicContact CG-CB 4.36Å; F1013-W1034 HydrophobicContact CG-CE3 4.02Å; F1013-W1034 HydrophobicContact CZ-CB 3.6Å; F1013-F1037 HydrophobicContact CB-CB 4.22Å; F1013-F1037 HydrophobicContact CB-CD1 4.26Å; F1013-F1037 HydrophobicContact CB-CD2 4.14Å; F1013-F1037 HydrophobicContact CB-CG 3.94Å; F1013-I1080 HydrophobicContact CE1-CG2 3.82Å; F1013-I1080 HydrophobicContact CZ-CB 4.3Å; F1013-I1080 HydrophobicContact CZ-CG2 3.79Å; F1013-I1080 WeakPolarHBondContact CZ-O 3.37Å; F1013-P1082 HydrophobicContact CD1-CB 3.81Å; F1013-P1082 HydrophobicContact CD1-CG 3.81Å; F1013-P1082 HydrophobicContact CD2-CG 4.44Å; F1013-P1082 HydrophobicContact CE1-CB 3.8Å; F1013-P1082 HydrophobicContact CE1-CG 3.58Å; F1013-P1082 HydrophobicContact CE2-CG 4.21Å; F1013-P1082 HydrophobicContact CG-CG 4.26Å; F1013-P1082 HydrophobicContact CZ-CB 4.49Å; F1013-P1082 HydrophobicContact CZ-CG 3.78Å; F1013-Y1110 WeakPolarHBondContact CA-O 3.35Å
1014	G	97.8	Very high	87.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	139.6	-167.8	-175.2	0	0	0	0	0	113.1	N1028 W1030 Y1110	G1014-N1028 WeakPolarHBondContact CA-O 3.48Å; G1014-W1030 WeakPolarHBondContact O-CZ3 3.34Å; G1014-Y1110 PolarHBondContact N-O 3.05Å; G1014-Y1110 VanDerWaalsContact N-O 3.08Å; G1014-Y1110 WeakPolarHBondContact O-CB 3.45Å; G1014-Y1110 PolarHBondContact O-N 3.3Å
1015	F	97.9	Very high	89.2	Confident	6 Å²	6	51.8 Å²	51.8	3%	0.026	28%	0.276	C	S	.	.			trans	-151.5	151.9	175.6	-153.1	-121.8	0	0	0	110.2	A927 A931 E1017 T1019 N1028 L1084 F1109 Y1110	A927-F1015 HydrophobicContact CB-CE1 3.94Å; A931-F1015 HydrophobicContact CB-CE2 4.3Å; A931-F1015 HydrophobicContact CB-CZ 4.06Å; F1015-E1017 VanDerWaalsContact C-N 3.26Å; F1015-E1017 HydrophobicContact CD1-CB 4.24Å; F1015-E1017 HydrophobicContact CE1-CB 4.46Å; F1015-E1017 PolarHBondContact O-N 3.01Å; F1015-T1019 HydrophobicContact CD1-CG2 3.83Å; F1015-T1019 HydrophobicContact CE1-CG2 4.1Å; F1015-N1028 HydrophobicContact CB-CB 3.86Å; F1015-N1028 PolarHBondContact N-O 3.41Å; F1015-L1084 HydrophobicContact CE2-CD1 4.09Å; F1015-F1109 HydrophobicContact CB-CB 3.91Å; F1015-F1109 HydrophobicContact CG-CB 4.45Å; F1015-Y1110 HydrophobicContact CD2-CD2 4.05Å; F1015-Y1110 HydrophobicContact CD2-CE2 4.24Å; F1015-Y1110 HydrophobicContact CE2-CD2 4.44Å; F1015-Y1110 HydrophobicContact CE2-CE2 4.21Å
1016	H	95.2	Very high	90.9	Very high	120 Å²	120	49.4 Å²	49.4	56%	0.556	27%	0.266	S	S	*	.	S	Bend	trans	-72.7	-20.8	-177.3	62.2	-77.3	0	0	0	113	W1030	H1016-W1030 HydrophobicContact CB-CZ2 4.37Å
1017	E	95	Very high	92.3	Very high	84 Å²	84	48.1 Å²	48.1	39%	0.393	26%	0.255	S	S	.	.	S	Bend	trans	-119	152.8	177	-80.2	-68	172.9	0	0	111.6	A927 F1015 T1019 N1028	A927-E1017 HydrophobicContact CB-CB 3.89Å; A927-E1017 HydrophobicContact CB-CG 3.87Å; F1015-E1017 VanDerWaalsContact C-N 3.26Å; F1015-E1017 HydrophobicContact CD1-CB 4.24Å; F1015-E1017 HydrophobicContact CE1-CB 4.46Å; F1015-E1017 PolarHBondContact O-N 3.01Å; E1017-T1019 PolarHBondContact O-N 3.25Å; E1017-N1028 PolarHBondContact O-ND2 3.2Å
1018	T	96.6	Very high	93.3	Very high	57 Å²	57	46.7 Å²	46.7	35%	0.35	25%	0.248	S	C	.	.			trans	-72.3	119.2	170.3	-64.5	0	0	0	0	108.9	T920 G924 P1025	T920-T1018 HydrophobicContact CG2-CG2 4.02Å; G924-T1018 VanDerWaalsContact CA-O 3.29Å; G924-T1018 WeakPolarHBondContact CA-O 3.49Å; T1018-P1025 HydrophobicContact CG2-CB 3.78Å
1019	T	96.2	Very high	93.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.239	C	C	.	.			trans	-101.5	158.1	172.4	58	0	0	0	0	110.4	S928 F1015 E1017 M1026 N1028 S1108	S928-T1019 WeakPolarHBondContact OG-CG2 3.16Å; F1015-T1019 HydrophobicContact CD1-CG2 3.83Å; F1015-T1019 HydrophobicContact CE1-CG2 4.1Å; E1017-T1019 PolarHBondContact O-N 3.25Å; T1019-M1026 WeakPolarHBondContact O-CB 3.41Å; T1019-M1026 PolarHBondContact O-N 3.21Å; T1019-M1026 WeakPolarHBondContact OG1-CE 3.33Å; T1019-N1028 PolarHBondContact N-ND2 3.07Å; T1019-N1028 PolarHBondContact OG1-ND2 3.25Å; T1019-S1108 VanDerWaalsContact CG2-O 3.29Å; T1019-S1108 WeakPolarHBondContact CG2-O 3.5Å; T1019-S1108 PolarHBondContact OG1-O 3.29Å
1020	C	93.5	Very high	94.3	Very high	18 Å²	18	46.5 Å²	46.5	12%	0.122	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139.5	-179.7	-65	0	0	0	0	110	M921 G1022 I1024 A1107	M921-C1020 HydrophobicContact CB-CB 4.4Å; M921-C1020 HydrophobicContact CG-CB 4.17Å; C1020-G1022 VanDerWaalsContact CB-O 3.26Å; C1020-G1022 WeakPolarHBondContact CB-O 3.11Å; C1020-I1024 CarbonylContact C-O 3.5Å; C1020-I1024 VanDerWaalsContact CA-O 3.23Å; C1020-I1024 WeakPolarHBondContact CA-O 3.45Å; C1020-A1107 WeakPolarHBondContact O-CB 3.48Å
1021	C	87.4	Confident	94.4	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.027	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	111.5	162.7	-167.9	0	0	0	0	107.1	F1023 I1024 M1026 N1158 H1162	C1021-F1023 PolarHBondContact O-N 3.14Å; C1021-I1024 PolarHBondContact N-O 3.49Å; C1021-I1024 PolarHBondContact O-N 2.76Å; C1021-I1024 VanDerWaalsContact O-N 3.14Å; C1021-M1026 HydrophobicContact CB-SD 4.19Å; C1021-N1158 PolarHBondContact SG-ND2 3.37Å; C1021-H1162 PolarHBondContact O-CE1 3.29Å; C1021-H1162 VanDerWaalsContact O-CE1 3.29Å; C1021-H1162 PolarHBondContact O-NE2 3.38Å
1022	G	84.3	Confident	94.5	Very high	23 Å²	23	46.5 Å²	46.5	24%	0.237	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	-127.6	-160.1	0	0	0	0	0	111.2	C1020	C1020-G1022 VanDerWaalsContact CB-O 3.26Å; C1020-G1022 WeakPolarHBondContact CB-O 3.11Å
1023	F	85.1	Confident	94.5	Very high	103 Å²	103	46.4 Å²	46.4	45%	0.452	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	3	173.9	64.2	-99.4	0	0	0	115.1	I895 M921 C1021 P1025 H1162	I895-F1023 HydrophobicContact CD1-CD1 4.14Å; I895-F1023 HydrophobicContact CG1-CD1 4.42Å; I895-F1023 HydrophobicContact CG2-CB 4.34Å; I895-F1023 HydrophobicContact CG2-CD1 4.42Å; M921-F1023 VanDerWaalsContact CE-CA 3.49Å; M921-F1023 HydrophobicContact CE-CB 3.58Å; C1021-F1023 PolarHBondContact O-N 3.14Å; F1023-P1025 WeakPolarHBondContact O-CD 3.48Å; F1023-H1162 AromaticContact CD1-CE1 3.7Å; F1023-H1162 AromaticContact CD1-ND1 3.53Å; F1023-H1162 AromaticContact CE1-CE1 3.72Å; F1023-H1162 AromaticContact CE1-ND1 3.11Å; F1023-H1162 WeakPolarHBondContact CE1-ND1 3.47Å; F1023-H1162 AromaticContact CG-CE1 3.97Å; F1023-H1162 AromaticContact CZ-CE1 3.99Å; F1023-H1162 AromaticContact CZ-ND1 3.45Å; F1023-H1162 WeakPolarHBondContact CZ-ND1 3.29Å; F1023-H1162 PolarHBondContact N-CE1 3.08Å
1024	I	91.2	Very high	94.4	Very high	10 Å²	10	46.2 Å²	46.2	5%	0.051	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	117.5	-178.2	-65	170.6	0	0	0	109.2	C1020 C1021 K1049 N1161 H1162	C1020-I1024 CarbonylContact C-O 3.5Å; C1020-I1024 VanDerWaalsContact CA-O 3.23Å; C1020-I1024 WeakPolarHBondContact CA-O 3.45Å; C1021-I1024 PolarHBondContact N-O 3.49Å; C1021-I1024 PolarHBondContact O-N 2.76Å; C1021-I1024 VanDerWaalsContact O-N 3.14Å; I1024-K1049 HydrophobicContact CG2-CD 3.8Å; I1024-K1049 VanDerWaalsContact CG2-CE 3.5Å; I1024-N1161 HydrophobicContact CD1-CB 3.54Å; I1024-H1162 WeakPolarHBondContact CD1-NE2 3.47Å; I1024-H1162 VanDerWaalsContact CG1-CE1 3.48Å; I1024-H1162 WeakPolarHBondContact CG1-CE1 3.48Å
1025	P	93.4	Very high	94.4	Very high	65 Å²	65	47.5 Å²	47.5	42%	0.422	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	141	177.3	28.5	-34.1	0	0	0	111.4	T1018 F1023	T1018-P1025 HydrophobicContact CG2-CB 3.78Å; F1023-P1025 WeakPolarHBondContact O-CD 3.48Å
1026	M	94	Very high	94.3	Very high	12 Å²	12	52.8 Å²	52.8	6%	0.059	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-100.7	138.2	176.5	-61.2	-168.1	-66.1	0	0	110.8	T1019 C1021 N1028 A1107 F1109 F1154	T1019-M1026 WeakPolarHBondContact O-CB 3.41Å; T1019-M1026 PolarHBondContact O-N 3.21Å; T1019-M1026 WeakPolarHBondContact OG1-CE 3.33Å; C1021-M1026 HydrophobicContact CB-SD 4.19Å; M1026-N1028 PolarHBondContact O-N 3.12Å; M1026-A1107 HydrophobicContact CE-CB 3.86Å; M1026-A1107 WeakPolarHBondContact CE-O 3.49Å; M1026-F1109 HydrophobicContact CE-CD1 4.33Å; M1026-F1154 HydrophobicContact SD-CZ 4.24Å
1027	D	95.4	Very high	94.4	Very high	72 Å²	72	47.2 Å²	47.2	39%	0.385	25%	0.25	S	S	.	.			trans	-73.1	107.7	170.5	179.3	6.5	0	0	0	109.6	T1029 K1041 R1042	D1027-T1029 WeakPolarHBondContact OD1-CB 3.37Å; D1027-T1029 PolarHBondContact OD1-N 2.92Å; D1027-T1029 PolarHBondContact OD1-OG1 2.97Å; D1027-K1041 HydrophobicContact CB-CB 4.24Å; D1027-K1041 HydrophobicContact CB-CG 4.32Å; D1027-K1041 WeakPolarHBondContact OD2-CE 3.41Å; D1027-K1041 WeakPolarHBondContact OD2-CG 3.47Å; D1027-R1042 PolarHBondContact O-NH1 3.18Å
1028	N	97	Very high	94.5	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.027	23%	0.232	C	C	.	.			trans	-102.3	9.7	-178.7	-74.4	-17.8	0	0	0	113.4	G1014 F1015 E1017 T1019 M1026 W1030 R1042	G1014-N1028 WeakPolarHBondContact CA-O 3.48Å; F1015-N1028 HydrophobicContact CB-CB 3.86Å; F1015-N1028 PolarHBondContact N-O 3.41Å; E1017-N1028 PolarHBondContact O-ND2 3.2Å; T1019-N1028 PolarHBondContact N-ND2 3.07Å; T1019-N1028 PolarHBondContact OG1-ND2 3.25Å; M1026-N1028 PolarHBondContact O-N 3.12Å; N1028-W1030 PolarHBondContact O-N 3.5Å; N1028-R1042 PolarHBondContact OD1-NH2 2.99Å
1029	T	96.9	Very high	94.6	Very high	88 Å²	88	41.3 Å²	41.3	54%	0.54	22%	0.22	S	C	.	.			trans	-52.9	133.4	178.6	-51.4	0	0	0	0	109.9	D1027 F1037 K1041	D1027-T1029 WeakPolarHBondContact OD1-CB 3.37Å; D1027-T1029 PolarHBondContact OD1-N 2.92Å; D1027-T1029 PolarHBondContact OD1-OG1 2.97Å; T1029-F1037 WeakPolarHBondContact O-CE2 3.47Å; T1029-K1041 PolarHBondContact O-NZ 2.88Å
1030	W	97.7	Very high	94.6	Very high	102 Å²	102	46.5 Å²	46.5	39%	0.386	24%	0.244	S	C	.	.			trans	-59.2	146.7	-174.8	-61.9	104.2	0	0	0	113.5	V1010 K1012 F1013 G1014 H1016 N1028 Y1110	V1010-W1030 HydrophobicContact CG1-CE3 4.46Å; V1010-W1030 HydrophobicContact CG1-CH2 3.81Å; V1010-W1030 HydrophobicContact CG1-CZ3 3.51Å; K1012-W1030 HydrophobicContact CB-CB 4.36Å; K1012-W1030 HydrophobicContact CB-CD2 4.49Å; K1012-W1030 HydrophobicContact CB-CE3 3.79Å; K1012-W1030 HydrophobicContact CD-CB 4.18Å; K1012-W1030 WeakPolarHBondContact O-CZ3 3.45Å; F1013-W1030 CarbonylContact O-C 3.58Å; F1013-W1030 VanDerWaalsContact O-CA 3.25Å; F1013-W1030 WeakPolarHBondContact O-CA 3.4Å; G1014-W1030 WeakPolarHBondContact O-CZ3 3.34Å; H1016-W1030 HydrophobicContact CB-CZ2 4.37Å; N1028-W1030 PolarHBondContact O-N 3.5Å; W1030-Y1110 HydrophobicContact CH2-CD2 4.1Å; W1030-Y1110 HydrophobicContact CZ3-CD2 4.35Å
1031	S	97.7	Very high	94.7	Very high	9 Å²	9	47.5 Å²	47.5	6%	0.063	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-145.2	148.5	174.8	174.3	0	0	0	0	110.5	K1012 F1013 D1033	K1012-S1031 WeakPolarHBondContact CB-O 3.06Å; F1013-S1031 PolarHBondContact N-O 3.02Å; F1013-S1031 PolarHBondContact O-N 3.28Å; S1031-D1033 PolarHBondContact OG-N 2.82Å; S1031-D1033 PolarHBondContact OG-O 3.14Å
1032	D	97	Very high	95.2	Very high	113 Å²	113	47.4 Å²	47.4	60%	0.604	25%	0.246	S	C	*	.	S	Bend	trans	-84.6	-19.9	180	-64.3	-57.9	0	0	0	112.8	K1012	K1012-D1032 WeakPolarHBondContact CD-OD1 3.29Å; K1012-D1032 WeakPolarHBondContact CE-OD1 3.23Å; K1012-D1032 WeakPolarHBondContact CG-OD1 3.43Å; K1012-D1032 VanDerWaalsContact NZ-CG 3.28Å; K1012-D1032 IonicContact NZ-OD1 2.82Å; K1012-D1032 PolarHBondContact NZ-OD1 3.28Å; K1012-D1032 IonicContact NZ-OD2 2.63Å; K1012-D1032 PolarHBondContact NZ-OD2 3.02Å
1033	D	96.5	Very high	95.7	Very high	76 Å²	76	46.3 Å²	46.3	41%	0.406	24%	0.235	S	C	.	.			trans	-119.2	129.4	-178	-179.6	64.5	0	0	0	112.4	S1031 V1035 E1036 F1037	S1031-D1033 PolarHBondContact OG-N 2.82Å; S1031-D1033 PolarHBondContact OG-O 3.14Å; D1033-V1035 WeakPolarHBondContact OD2-CA 3.09Å; D1033-V1035 WeakPolarHBondContact OD2-CB 3.28Å; D1033-V1035 PolarHBondContact OD2-N 3.28Å; D1033-E1036 HydrophobicContact CB-CB 4.09Å; D1033-E1036 WeakPolarHBondContact OD2-CB 3.4Å; D1033-E1036 PolarHBondContact OD2-N 3.25Å; D1033-F1037 VanDerWaalsContact O-CB 3.27Å; D1033-F1037 WeakPolarHBondContact O-CB 3.46Å; D1033-F1037 PolarHBondContact O-N 3.47Å
1034	W	97.4	Very high	96.3	Very high	3 Å²	3	43 Å²	43	1%	0.011	22%	0.22	C	C	.	.	H	α-helix	trans	-67.1	-40.7	-178.8	171	-105.4	0	0	0	112.3	F1013 F1037 F1038 F1074 I1080 F1109 H1112 F1115 Y1151	F1013-W1034 HydrophobicContact CB-CE3 4.39Å; F1013-W1034 HydrophobicContact CD1-CB 4.28Å; F1013-W1034 HydrophobicContact CD1-CD2 4.42Å; F1013-W1034 AromaticContact CD1-CE3 3.59Å; F1013-W1034 HydrophobicContact CD1-CE3 3.59Å; F1013-W1034 HydrophobicContact CD1-CZ3 4.36Å; F1013-W1034 HydrophobicContact CD2-CB 4.1Å; F1013-W1034 HydrophobicContact CE1-CB 3.88Å; F1013-W1034 HydrophobicContact CE1-CD2 4.46Å; F1013-W1034 HydrophobicContact CE1-CE3 4.03Å; F1013-W1034 HydrophobicContact CE1-CG 4.43Å; F1013-W1034 HydrophobicContact CE2-CB 3.73Å; F1013-W1034 VanDerWaalsContact CE2-N 3.29Å; F1013-W1034 HydrophobicContact CG-CB 4.36Å; F1013-W1034 HydrophobicContact CG-CE3 4.02Å; F1013-W1034 HydrophobicContact CZ-CB 3.6Å; W1034-F1037 HydrophobicContact CE3-CD1 4.08Å; W1034-F1037 AromaticContact CZ3-CD1 3.8Å; W1034-F1037 HydrophobicContact CZ3-CD1 3.8Å; W1034-F1037 HydrophobicContact CZ3-CE1 4.18Å; W1034-F1037 PolarHBondContact O-N 2.97Å; W1034-F1038 HydrophobicContact CD2-CB 4.27Å; W1034-F1038 HydrophobicContact CH2-CB 4.32Å; W1034-F1038 HydrophobicContact CH2-CD2 4.27Å; W1034-F1038 HydrophobicContact CZ2-CB 3.89Å; W1034-F1038 AromaticContact CZ2-CD2 3.9Å; W1034-F1038 HydrophobicContact CZ2-CD2 3.9Å; W1034-F1038 HydrophobicContact CZ2-CG 4.02Å; W1034-F1038 VanDerWaalsContact O-CB 3.23Å; W1034-F1038 WeakPolarHBondContact O-CB 3.34Å; W1034-F1038 PolarHBondContact O-N 3.5Å; W1034-F1074 AromaticContact CD1-CE1 3.68Å; W1034-F1074 AromaticContact NE1-CE1 3.6Å; W1034-F1074 AromaticContact NE1-CZ 3.81Å; W1034-I1080 HydrophobicContact CB-CB 4.37Å; W1034-I1080 HydrophobicContact CB-CD1 4.13Å; W1034-I1080 HydrophobicContact CB-CG2 4.02Å; W1034-I1080 VanDerWaalsContact CD1-CD1 3.46Å; W1034-I1080 HydrophobicContact CG-CD1 3.98Å; W1034-I1080 HydrophobicContact CG-CG2 4.1Å; W1034-F1109 AromaticContact CH2-CE2 4Å; W1034-F1109 HydrophobicContact CH2-CE2 4Å; W1034-F1109 AromaticContact CZ3-CE2 3.96Å; W1034-F1109 HydrophobicContact CZ3-CE2 3.96Å; W1034-H1112 HydrophobicContact CD2-CB 3.72Å; W1034-H1112 HydrophobicContact CE3-CB 4.34Å; W1034-H1112 HydrophobicContact CG-CB 4.1Å; W1034-H1112 HydrophobicContact CH2-CB 4.26Å; W1034-H1112 HydrophobicContact CZ2-CB 3.63Å; W1034-F1115 HydrophobicContact CH2-CB 4.15Å; W1034-F1115 AromaticContact CH2-CD2 3.99Å; W1034-F1115 HydrophobicContact CH2-CD2 3.99Å; W1034-F1115 HydrophobicContact CH2-CG 4.26Å; W1034-F1115 HydrophobicContact CZ2-CB 4.12Å; W1034-F1115 HydrophobicContact CZ2-CD2 4.1Å; W1034-F1115 HydrophobicContact CZ2-CG 4.48Å; W1034-Y1151 AromaticContact CZ2-CE1 3.71Å; W1034-Y1151 HydrophobicContact CZ2-CE1 3.71Å; W1034-Y1151 PolarHBondContact NE1-OH 3.47Å; W1034-Y1151 VanDerWaalsContact NE1-OH 3.08Å
1035	V	96.1	Very high	96.5	Very high	28 Å²	28	44.1 Å²	44.1	17%	0.17	23%	0.232	C	C	.	.	H	α-helix	trans	-68.4	-42.8	-173.6	-176.7	0	0	0	0	109.5	D1033 T1039 I1070 F1074	D1033-V1035 WeakPolarHBondContact OD2-CA 3.09Å; D1033-V1035 WeakPolarHBondContact OD2-CB 3.28Å; D1033-V1035 PolarHBondContact OD2-N 3.28Å; V1035-T1039 WeakPolarHBondContact O-CB 3.47Å; V1035-T1039 PolarHBondContact O-N 3Å; V1035-T1039 PolarHBondContact O-OG1 3.42Å; V1035-I1070 HydrophobicContact CG1-CG2 3.99Å; V1035-F1074 HydrophobicContact CG1-CD2 4.17Å; V1035-F1074 HydrophobicContact CG1-CE2 4.47Å; V1035-F1074 HydrophobicContact CG2-CB 3.98Å; V1035-F1074 HydrophobicContact CG2-CD1 4.12Å; V1035-F1074 HydrophobicContact CG2-CD2 3.83Å; V1035-F1074 HydrophobicContact CG2-CE2 4.36Å; V1035-F1074 HydrophobicContact CG2-CG 3.71Å
1036	E	96.1	Very high	96.6	Very high	117 Å²	117	41.4 Å²	41.4	55%	0.547	21%	0.213	S	C	.	.	H	α-helix	trans	-58.9	-54.4	170.5	-171.9	-165.1	178.4	0	0	111.3	D1033 F1038 T1039 Q1040	D1033-E1036 HydrophobicContact CB-CB 4.09Å; D1033-E1036 WeakPolarHBondContact OD2-CB 3.4Å; D1033-E1036 PolarHBondContact OD2-N 3.25Å; E1036-F1038 PolarHBondContact O-N 2.8Å; E1036-T1039 PolarHBondContact O-N 3.27Å; E1036-Q1040 WeakPolarHBondContact O-CB 3.48Å; E1036-Q1040 PolarHBondContact O-N 2.75Å
1037	F	97.9	Very high	96.8	Very high	2 Å²	2	42 Å²	42	1%	0.009	22%	0.215	C	C	.	.	H	α-helix	trans	-55	-51.2	-179.3	-179.9	-90.1	0	0	0	111.8	F1013 T1029 D1033 W1034 K1041 R1042 F1109	F1013-F1037 HydrophobicContact CB-CB 4.22Å; F1013-F1037 HydrophobicContact CB-CD1 4.26Å; F1013-F1037 HydrophobicContact CB-CD2 4.14Å; F1013-F1037 HydrophobicContact CB-CG 3.94Å; T1029-F1037 WeakPolarHBondContact O-CE2 3.47Å; D1033-F1037 VanDerWaalsContact O-CB 3.27Å; D1033-F1037 WeakPolarHBondContact O-CB 3.46Å; D1033-F1037 PolarHBondContact O-N 3.47Å; W1034-F1037 HydrophobicContact CE3-CD1 4.08Å; W1034-F1037 AromaticContact CZ3-CD1 3.8Å; W1034-F1037 HydrophobicContact CZ3-CD1 3.8Å; W1034-F1037 HydrophobicContact CZ3-CE1 4.18Å; W1034-F1037 PolarHBondContact O-N 2.97Å; F1037-K1041 HydrophobicContact CD2-CD 3.69Å; F1037-K1041 HydrophobicContact CE2-CB 4.5Å; F1037-K1041 HydrophobicContact CE2-CD 3.76Å; F1037-K1041 WeakPolarHBondContact O-CA 3.34Å; F1037-K1041 VanDerWaalsContact O-CB 3.26Å; F1037-K1041 WeakPolarHBondContact O-CB 3.5Å; F1037-K1041 PolarHBondContact O-N 2.94Å; F1037-R1042 HydrophobicContact CE1-CG 4.42Å; F1037-F1109 AromaticContact CE1-CD2 3.92Å; F1037-F1109 HydrophobicContact CE1-CD2 3.92Å; F1037-F1109 AromaticContact CE1-CE2 3.93Å; F1037-F1109 HydrophobicContact CE1-CE2 3.93Å; F1037-F1109 HydrophobicContact CZ-CD2 4.25Å
1038	F	97.6	Very high	96.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.9	-42	-178.7	176.1	-106.5	0	0	0	111.9	W1034 E1036 R1042 L1043 F1115 L1150 Y1151 F1154	W1034-F1038 HydrophobicContact CD2-CB 4.27Å; W1034-F1038 HydrophobicContact CH2-CB 4.32Å; W1034-F1038 HydrophobicContact CH2-CD2 4.27Å; W1034-F1038 HydrophobicContact CZ2-CB 3.89Å; W1034-F1038 AromaticContact CZ2-CD2 3.9Å; W1034-F1038 HydrophobicContact CZ2-CD2 3.9Å; W1034-F1038 HydrophobicContact CZ2-CG 4.02Å; W1034-F1038 VanDerWaalsContact O-CB 3.23Å; W1034-F1038 WeakPolarHBondContact O-CB 3.34Å; W1034-F1038 PolarHBondContact O-N 3.5Å; E1036-F1038 PolarHBondContact O-N 2.8Å; F1038-R1042 HydrophobicContact CD2-CB 3.79Å; F1038-R1042 HydrophobicContact CD2-CG 4.03Å; F1038-R1042 HydrophobicContact CE2-CB 4.08Å; F1038-R1042 VanDerWaalsContact O-CB 3.27Å; F1038-R1042 WeakPolarHBondContact O-CB 2.93Å; F1038-R1042 PolarHBondContact O-N 2.84Å; F1038-L1043 HydrophobicContact CD1-CD1 4.11Å; F1038-L1043 HydrophobicContact CD1-CG 4.46Å; F1038-L1043 HydrophobicContact CE1-CD1 3.38Å; F1038-L1043 HydrophobicContact CE1-CG 3.79Å; F1038-L1043 HydrophobicContact CE2-CG 4.34Å; F1038-L1043 HydrophobicContact CZ-CD1 3.77Å; F1038-L1043 HydrophobicContact CZ-CD2 4.12Å; F1038-L1043 HydrophobicContact CZ-CG 3.7Å; F1038-L1043 PolarHBondContact O-N 2.81Å; F1038-F1115 HydrophobicContact CD2-CD2 4.02Å; F1038-F1115 HydrophobicContact CD2-CE2 4.08Å; F1038-F1115 AromaticContact CE2-CD2 3.85Å; F1038-F1115 HydrophobicContact CE2-CD2 3.85Å; F1038-F1115 AromaticContact CE2-CE2 3.77Å; F1038-F1115 HydrophobicContact CE2-CE2 3.77Å; F1038-L1150 HydrophobicContact CE1-CB 4.01Å; F1038-L1150 HydrophobicContact CZ-CB 4.3Å; F1038-Y1151 HydrophobicContact CD1-CE1 4.36Å; F1038-Y1151 HydrophobicContact CD2-CD1 4.24Å; F1038-Y1151 HydrophobicContact CD2-CE1 4.07Å; F1038-Y1151 HydrophobicContact CE1-CD1 4.2Å; F1038-Y1151 HydrophobicContact CE1-CE1 4.12Å; F1038-Y1151 AromaticContact CE2-CD1 3.57Å; F1038-Y1151 HydrophobicContact CE2-CD1 3.57Å; F1038-Y1151 AromaticContact CE2-CE1 3.85Å; F1038-Y1151 HydrophobicContact CE2-CE1 3.85Å; F1038-Y1151 HydrophobicContact CG-CE1 4.33Å; F1038-Y1151 AromaticContact CZ-CD1 3.54Å; F1038-Y1151 HydrophobicContact CZ-CD1 3.54Å; F1038-Y1151 AromaticContact CZ-CE1 3.87Å; F1038-Y1151 HydrophobicContact CZ-CE1 3.87Å; F1038-F1154 HydrophobicContact CE2-CB 4.31Å; F1038-F1154 HydrophobicContact CZ-CB 4.49Å
1039	T	97.4	Very high	96.7	Very high	18 Å²	18	45.4 Å²	45.4	11%	0.11	23%	0.23	C	C	.	.	I	π-helix	trans	-64.9	-50	-179.5	-57.4	0	0	0	0	111.2	V1035 E1036 Q1044 L1067 I1070	V1035-T1039 WeakPolarHBondContact O-CB 3.47Å; V1035-T1039 PolarHBondContact O-N 3Å; V1035-T1039 PolarHBondContact O-OG1 3.42Å; E1036-T1039 PolarHBondContact O-N 3.27Å; T1039-Q1044 VanDerWaalsContact O-CB 3.29Å; T1039-Q1044 WeakPolarHBondContact O-CB 3.33Å; T1039-Q1044 PolarHBondContact O-N 3.16Å; T1039-L1067 HydrophobicContact CG2-CD2 3.76Å; T1039-I1070 HydrophobicContact CG2-CD1 3.89Å
1040	Q	96.9	Very high	96.5	Very high	108 Å²	108	41.2 Å²	41.2	51%	0.505	20%	0.204	S	C	.	.	I	π-helix	trans	-80.7	-49.7	-174.4	-62.3	-61.2	-29.1	0	0	112.3	E1036 A1045	E1036-Q1040 WeakPolarHBondContact O-CB 3.48Å; E1036-Q1040 PolarHBondContact O-N 2.75Å; Q1040-A1045 PolarHBondContact O-N 2.88Å
1041	K	96.8	Very high	96.4	Very high	40 Å²	40	38.2 Å²	38.2	17%	0.174	20%	0.195	C	C	.	.	I	π-helix	trans	-94.1	-4.7	-169	-58.1	179.4	171.7	159.8	0	114.3	D1027 T1029 F1037	D1027-K1041 HydrophobicContact CB-CB 4.24Å; D1027-K1041 HydrophobicContact CB-CG 4.32Å; D1027-K1041 WeakPolarHBondContact OD2-CE 3.41Å; D1027-K1041 WeakPolarHBondContact OD2-CG 3.47Å; T1029-K1041 PolarHBondContact O-NZ 2.88Å; F1037-K1041 HydrophobicContact CD2-CD 3.69Å; F1037-K1041 HydrophobicContact CE2-CB 4.5Å; F1037-K1041 HydrophobicContact CE2-CD 3.76Å; F1037-K1041 WeakPolarHBondContact O-CA 3.34Å; F1037-K1041 VanDerWaalsContact O-CB 3.26Å; F1037-K1041 WeakPolarHBondContact O-CB 3.5Å; F1037-K1041 PolarHBondContact O-N 2.94Å
1042	R	95.9	Very high	96.1	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	23%	0.23	C	C	.	.	I	π-helix	trans	-119.3	-62.9	173.8	-58.7	-69.5	179	-93.3	7.3	111.5	D1027 N1028 F1037 F1038 Q1046 F1109 F1154	D1027-R1042 PolarHBondContact O-NH1 3.18Å; N1028-R1042 PolarHBondContact OD1-NH2 2.99Å; F1037-R1042 HydrophobicContact CE1-CG 4.42Å; F1038-R1042 HydrophobicContact CD2-CB 3.79Å; F1038-R1042 HydrophobicContact CD2-CG 4.03Å; F1038-R1042 HydrophobicContact CE2-CB 4.08Å; F1038-R1042 VanDerWaalsContact O-CB 3.27Å; F1038-R1042 WeakPolarHBondContact O-CB 2.93Å; F1038-R1042 PolarHBondContact O-N 2.84Å; R1042-Q1046 WeakPolarHBondContact O-CG 3.36Å; R1042-Q1046 PolarHBondContact O-N 3.22Å; R1042-F1109 VanDerWaalsContact NH2-CG 3.31Å; R1042-F1154 HydrophobicContact CB-CD2 3.71Å; R1042-F1154 HydrophobicContact CB-CE2 3.84Å; R1042-F1154 HydrophobicContact CG-CE2 4.44Å; R1042-F1154 WeakPolarHBondContact O-CD2 3.46Å
1043	L	96.7	Very high	95.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.23	C	C	.	.	I	π-helix	trans	-72	-56.4	-175.3	-74.6	177.6	0	0	0	112.7	F1038 A1045 Q1046 Y1047 W1063 I1070 L1150 L1153 F1154 L1157	F1038-L1043 HydrophobicContact CD1-CD1 4.11Å; F1038-L1043 HydrophobicContact CD1-CG 4.46Å; F1038-L1043 HydrophobicContact CE1-CD1 3.38Å; F1038-L1043 HydrophobicContact CE1-CG 3.79Å; F1038-L1043 HydrophobicContact CE2-CG 4.34Å; F1038-L1043 HydrophobicContact CZ-CD1 3.77Å; F1038-L1043 HydrophobicContact CZ-CD2 4.12Å; F1038-L1043 HydrophobicContact CZ-CG 3.7Å; F1038-L1043 PolarHBondContact O-N 2.81Å; L1043-A1045 VanDerWaalsContact C-N 3.34Å; L1043-A1045 PolarHBondContact O-N 2.98Å; L1043-Q1046 PolarHBondContact O-N 3.38Å; L1043-Y1047 PolarHBondContact O-N 3.4Å; L1043-W1063 HydrophobicContact CB-CH2 4.22Å; L1043-W1063 HydrophobicContact CB-CZ2 4.15Å; L1043-I1070 HydrophobicContact CD1-CD1 3.76Å; L1043-L1150 HydrophobicContact CD1-CD2 4.24Å; L1043-L1153 HydrophobicContact CD2-CB 4.45Å; L1043-L1153 HydrophobicContact CD2-CD2 4.23Å; L1043-L1153 HydrophobicContact CD2-CG 4.08Å; L1043-F1154 HydrophobicContact CD2-CB 3.89Å; L1043-L1157 HydrophobicContact CD2-CD1 4.26Å
1044	Q	97.1	Very high	95.2	Very high	33 Å²	33	43.7 Å²	43.7	15%	0.154	23%	0.232	C	C	.	.	I	π-helix	trans	-60.1	-45.4	-176.7	-172.4	62.2	43.1	0	0	111.1	T1039 Q1046 Y1047 D1048	T1039-Q1044 VanDerWaalsContact O-CB 3.29Å; T1039-Q1044 WeakPolarHBondContact O-CB 3.33Å; T1039-Q1044 PolarHBondContact O-N 3.16Å; Q1044-Q1046 VanDerWaalsContact C-N 3.3Å; Q1044-Q1046 PolarHBondContact O-N 2.74Å; Q1044-Y1047 WeakPolarHBondContact O-CB 3.49Å; Q1044-Y1047 PolarHBondContact O-N 2.96Å; Q1044-Y1047 VanDerWaalsContact O-N 3.15Å; Q1044-D1048 PolarHBondContact NE2-OD1 2.96Å; Q1044-D1048 VanDerWaalsContact O-CG 3.25Å; Q1044-D1048 PolarHBondContact O-N 3.34Å
1045	A	95.6	Very high	94.8	Very high	35 Å²	35	45.6 Å²	45.6	29%	0.289	25%	0.253	S	S	.	.	H	α-helix	trans	-57.4	-36.9	176.9	0	0	0	0	0	114.1	Q1040 L1043 K1049	Q1040-A1045 PolarHBondContact O-N 2.88Å; L1043-A1045 VanDerWaalsContact C-N 3.34Å; L1043-A1045 PolarHBondContact O-N 2.98Å; A1045-K1049 WeakPolarHBondContact O-CG 3.29Å
1046	Q	95.8	Very high	94.7	Very high	7 Å²	7	45.2 Å²	45.2	3%	0.033	25%	0.25	C	S	.	.	H	α-helix	trans	-76.7	-38.2	176.5	-69.1	-71.7	0.5	0	0	111.9	R1042 L1043 Q1044 K1049 V1050 F1154 L1157 N1158 N1161	R1042-Q1046 WeakPolarHBondContact O-CG 3.36Å; R1042-Q1046 PolarHBondContact O-N 3.22Å; L1043-Q1046 PolarHBondContact O-N 3.38Å; Q1044-Q1046 VanDerWaalsContact C-N 3.3Å; Q1044-Q1046 PolarHBondContact O-N 2.74Å; Q1046-K1049 PolarHBondContact O-N 2.91Å; Q1046-V1050 WeakPolarHBondContact O-CG2 3.45Å; Q1046-V1050 PolarHBondContact O-N 3.19Å; Q1046-V1050 VanDerWaalsContact O-N 3.16Å; Q1046-F1154 HydrophobicContact CG-CD2 3.88Å; Q1046-F1154 HydrophobicContact CG-CE2 3.65Å; Q1046-L1157 HydrophobicContact CB-CB 3.78Å; Q1046-L1157 HydrophobicContact CB-CD1 4.34Å; Q1046-N1158 PolarHBondContact NE2-OD1 2.79Å; Q1046-N1161 PolarHBondContact O-ND2 3.43Å; Q1046-N1161 PolarHBondContact OE1-ND2 2.76Å
1047	Y	96.5	Very high	94.5	Very high	25 Å²	25	50.2 Å²	50.2	10%	0.098	26%	0.264	C	S	.	.	H	α-helix	trans	-60.2	-45.3	173.4	163.5	-88.7	0	0	0	111.9	L1043 Q1044 K1049 V1050 M1051 L1059 S1060 W1063	L1043-Y1047 PolarHBondContact O-N 3.4Å; Q1044-Y1047 WeakPolarHBondContact O-CB 3.49Å; Q1044-Y1047 PolarHBondContact O-N 2.96Å; Q1044-Y1047 VanDerWaalsContact O-N 3.15Å; Y1047-K1049 VanDerWaalsContact C-N 3.26Å; Y1047-K1049 PolarHBondContact O-N 2.67Å; Y1047-V1050 WeakPolarHBondContact O-CB 3.27Å; Y1047-V1050 PolarHBondContact O-N 2.95Å; Y1047-M1051 HydrophobicContact CD1-CG 4.05Å; Y1047-M1051 HydrophobicContact CD2-CE 4.03Å; Y1047-M1051 HydrophobicContact CD2-CG 4.22Å; Y1047-M1051 HydrophobicContact CE1-CG 3.53Å; Y1047-M1051 HydrophobicContact CE2-CE 3.61Å; Y1047-M1051 HydrophobicContact CE2-CG 3.73Å; Y1047-M1051 HydrophobicContact CE2-SD 3.86Å; Y1047-M1051 HydrophobicContact CG-CG 4.37Å; Y1047-M1051 WeakPolarHBondContact O-CG 3.4Å; Y1047-M1051 PolarHBondContact O-N 3.14Å; Y1047-L1059 HydrophobicContact CD2-CD2 3.93Å; Y1047-L1059 HydrophobicContact CD2-CG 3.92Å; Y1047-L1059 HydrophobicContact CE2-CD2 4.34Å; Y1047-L1059 HydrophobicContact CE2-CG 3.97Å; Y1047-S1060 PolarHBondContact OH-OG 2.9Å; Y1047-W1063 AromaticContact CD1-CD1 3.97Å; Y1047-W1063 HydrophobicContact CD1-CD2 4.42Å; Y1047-W1063 HydrophobicContact CD1-CG 4.39Å; Y1047-W1063 AromaticContact CD1-NE1 3.74Å; Y1047-W1063 HydrophobicContact CD2-CB 4.12Å; Y1047-W1063 AromaticContact CD2-CD1 3.93Å; Y1047-W1063 AromaticContact CD2-CD2 3.27Å; Y1047-W1063 HydrophobicContact CD2-CD2 3.27Å; Y1047-W1063 AromaticContact CD2-CE2 3.62Å; Y1047-W1063 AromaticContact CD2-CE3 3.55Å; Y1047-W1063 HydrophobicContact CD2-CE3 3.55Å; Y1047-W1063 AromaticContact CD2-CG 3.54Å; Y1047-W1063 HydrophobicContact CD2-CG 3.54Å; Y1047-W1063 HydrophobicContact CD2-CH2 4.43Å; Y1047-W1063 HydrophobicContact CD2-CZ2 4.21Å; Y1047-W1063 HydrophobicContact CD2-CZ3 4.11Å; Y1047-W1063 AromaticContact CD2-NE1 3.96Å; Y1047-W1063 AromaticContact CE1-CD1 3.91Å; Y1047-W1063 HydrophobicContact CE1-CG 4.32Å; Y1047-W1063 HydrophobicContact CE2-CB 3.58Å; Y1047-W1063 AromaticContact CE2-CD1 3.86Å; Y1047-W1063 AromaticContact CE2-CD2 3.73Å; Y1047-W1063 HydrophobicContact CE2-CD2 3.73Å; Y1047-W1063 HydrophobicContact CE2-CE3 4.19Å; Y1047-W1063 AromaticContact CE2-CG 3.44Å; Y1047-W1063 HydrophobicContact CE2-CG 3.44Å; Y1047-W1063 VanDerWaalsContact CE2-CG 3.44Å; Y1047-W1063 AromaticContact CG-CD1 3.98Å; Y1047-W1063 AromaticContact CG-CD2 3.67Å; Y1047-W1063 HydrophobicContact CG-CD2 3.67Å; Y1047-W1063 AromaticContact CG-CE2 3.46Å; Y1047-W1063 VanDerWaalsContact CG-CE2 3.46Å; Y1047-W1063 HydrophobicContact CG-CE3 4.19Å; Y1047-W1063 HydrophobicContact CG-CG 4.02Å; Y1047-W1063 HydrophobicContact CG-CH2 4.35Å; Y1047-W1063 AromaticContact CG-CZ2 3.85Å; Y1047-W1063 HydrophobicContact CG-CZ2 3.85Å; Y1047-W1063 HydrophobicContact CG-CZ3 4.49Å; Y1047-W1063 AromaticContact CG-NE1 3.63Å; Y1047-W1063 AromaticContact CZ-CD1 3.85Å; Y1047-W1063 AromaticContact CZ-CG 3.86Å
1048	D	97.1	Very high	94.3	Very high	78 Å²	78	53.5 Å²	53.5	42%	0.417	28%	0.279	S	S	.	.	H	α-helix	trans	-60	-38.8	-178.7	-68.1	-24	0	0	0	111.2	Q1044 M1051 E1052	Q1044-D1048 PolarHBondContact NE2-OD1 2.96Å; Q1044-D1048 VanDerWaalsContact O-CG 3.25Å; Q1044-D1048 PolarHBondContact O-N 3.34Å; D1048-M1051 PolarHBondContact O-N 3.47Å; D1048-E1052 WeakPolarHBondContact O-CB 3.06Å; D1048-E1052 PolarHBondContact O-N 3.1Å
1049	K	93.8	Very high	94.3	Very high	71 Å²	71	53.5 Å²	53.5	31%	0.309	28%	0.279	S	S	.	.	H	α-helix	trans	-65.3	-39.6	173.9	-70.3	174.9	-175.1	-62.8	0	113	I1024 A1045 Q1046 Y1047 M1051 E1052 S1053 N1161	I1024-K1049 HydrophobicContact CG2-CD 3.8Å; I1024-K1049 VanDerWaalsContact CG2-CE 3.5Å; A1045-K1049 WeakPolarHBondContact O-CG 3.29Å; Q1046-K1049 PolarHBondContact O-N 2.91Å; Y1047-K1049 VanDerWaalsContact C-N 3.26Å; Y1047-K1049 PolarHBondContact O-N 2.67Å; K1049-M1051 VanDerWaalsContact C-N 3.31Å; K1049-E1052 PolarHBondContact O-N 3.48Å; K1049-S1053 WeakPolarHBondContact O-CB 3.41Å; K1049-S1053 PolarHBondContact O-N 3.33Å; K1049-S1053 PolarHBondContact O-OG 3.48Å; K1049-N1161 WeakPolarHBondContact CB-OD1 3.33Å
1050	V	93.8	Very high	94.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.6	-38.6	174.1	175.6	0	0	0	0	110.1	Q1046 Y1047 S1053 A1054 G1055 L1059 L1157 W1160 N1161	Q1046-V1050 WeakPolarHBondContact O-CG2 3.45Å; Q1046-V1050 PolarHBondContact O-N 3.19Å; Q1046-V1050 VanDerWaalsContact O-N 3.16Å; Y1047-V1050 WeakPolarHBondContact O-CB 3.27Å; Y1047-V1050 PolarHBondContact O-N 2.95Å; V1050-S1053 PolarHBondContact O-OG 2.98Å; V1050-A1054 HydrophobicContact CG1-CB 4.46Å; V1050-A1054 WeakPolarHBondContact O-CA 3.33Å; V1050-A1054 WeakPolarHBondContact O-CB 3.44Å; V1050-A1054 PolarHBondContact O-N 3.49Å; V1050-G1055 PolarHBondContact O-N 3.34Å; V1050-L1059 HydrophobicContact CG1-CD2 4.01Å; V1050-L1157 HydrophobicContact CG2-CD2 4.04Å; V1050-W1160 HydrophobicContact CG1-CD2 3.82Å; V1050-W1160 HydrophobicContact CG1-CE3 3.91Å; V1050-W1160 HydrophobicContact CG1-CH2 3.82Å; V1050-W1160 HydrophobicContact CG1-CZ2 3.73Å; V1050-W1160 HydrophobicContact CG1-CZ3 3.93Å; V1050-W1160 HydrophobicContact CG2-CB 4.38Å; V1050-W1160 HydrophobicContact CG2-CD2 4.22Å; V1050-W1160 HydrophobicContact CG2-CE3 4.37Å; V1050-W1160 HydrophobicContact CG2-CG 4.26Å; V1050-N1161 WeakPolarHBondContact CA-OD1 3.19Å; V1050-N1161 WeakPolarHBondContact CG2-OD1 3.42Å; V1050-N1161 PolarHBondContact N-OD1 3.04Å; V1050-N1161 VanDerWaalsContact N-OD1 3.15Å
1051	M	95.1	Very high	94.2	Very high	38 Å²	38	55.6 Å²	55.6	19%	0.187	29%	0.293	C	S	.	.	H	α-helix	trans	-67.6	-41.1	176.9	-69	-56.6	109.3	0	0	112.3	Y1047 D1048 K1049 G1055 D1056 L1059	Y1047-M1051 HydrophobicContact CD1-CG 4.05Å; Y1047-M1051 HydrophobicContact CD2-CE 4.03Å; Y1047-M1051 HydrophobicContact CD2-CG 4.22Å; Y1047-M1051 HydrophobicContact CE1-CG 3.53Å; Y1047-M1051 HydrophobicContact CE2-CE 3.61Å; Y1047-M1051 HydrophobicContact CE2-CG 3.73Å; Y1047-M1051 HydrophobicContact CE2-SD 3.86Å; Y1047-M1051 HydrophobicContact CG-CG 4.37Å; Y1047-M1051 WeakPolarHBondContact O-CG 3.4Å; Y1047-M1051 PolarHBondContact O-N 3.14Å; D1048-M1051 PolarHBondContact O-N 3.47Å; K1049-M1051 VanDerWaalsContact C-N 3.31Å; M1051-G1055 VanDerWaalsContact O-CA 3.26Å; M1051-G1055 WeakPolarHBondContact O-CA 3.34Å; M1051-G1055 PolarHBondContact O-N 3.09Å; M1051-D1056 HydrophobicContact CE-CB 4.08Å; M1051-L1059 HydrophobicContact CE-CB 3.97Å; M1051-L1059 HydrophobicContact CE-CD2 3.65Å; M1051-L1059 HydrophobicContact CE-CG 3.97Å
1052	E	91.7	Very high	94.2	Very high	170 Å²	170	54.3 Å²	54.3	79%	0.794	29%	0.288	S	S	*	.	H	α-helix	trans	-63	-41.7	176.6	-174.4	178.4	-166.3	0	0	111.9	D1048 K1049	D1048-E1052 WeakPolarHBondContact O-CB 3.06Å; D1048-E1052 PolarHBondContact O-N 3.1Å; K1049-E1052 PolarHBondContact O-N 3.48Å
1053	S	86.9	Confident	94.2	Very high	88 Å²	88	54.5 Å²	54.5	62%	0.615	29%	0.288	S	S	*	.	H	α-helix	trans	-86.9	-42.9	-175.4	57.5	0	0	0	0	114.5	K1049 V1050	K1049-S1053 WeakPolarHBondContact O-CB 3.41Å; K1049-S1053 PolarHBondContact O-N 3.33Å; K1049-S1053 PolarHBondContact O-OG 3.48Å; V1050-S1053 PolarHBondContact O-OG 2.98Å
1054	A	87.2	Confident	94.2	Very high	55 Å²	55	57.9 Å²	57.9	46%	0.455	31%	0.31	S	S	.	.	H	α-helix	trans	-115.8	-20.4	-171.6	0	0	0	0	0	114.1	V1050 D1056 W1160	V1050-A1054 HydrophobicContact CG1-CB 4.46Å; V1050-A1054 WeakPolarHBondContact O-CA 3.33Å; V1050-A1054 WeakPolarHBondContact O-CB 3.44Å; V1050-A1054 PolarHBondContact O-N 3.49Å; A1054-D1056 VanDerWaalsContact C-N 3.29Å; A1054-D1056 PolarHBondContact O-N 3.31Å; A1054-W1160 HydrophobicContact CB-CZ2 4.27Å
1055	G	89	Confident	94.2	Very high	44 Å²	44	62.8 Å²	62.8	45%	0.454	33%	0.328	S	S	.	.			trans	55.5	39	179.4	0	0	0	0	0	114.2	V1050 M1051 R1057	V1050-G1055 PolarHBondContact O-N 3.34Å; M1051-G1055 VanDerWaalsContact O-CA 3.26Å; M1051-G1055 WeakPolarHBondContact O-CA 3.34Å; M1051-G1055 PolarHBondContact O-N 3.09Å; G1055-R1057 PolarHBondContact O-N 3.45Å; G1055-R1057 VanDerWaalsContact O-N 3.09Å
1056	D	93.4	Very high	94.1	Very high	20 Å²	20	61.1 Å²	61.1	11%	0.107	31%	0.314	C	S	.	.			trans	-66.3	111.7	-170.5	-170.7	-89.8	0	0	0	112.9	M1051 A1054 K1058 L1059 S1060 W1160 R1168	M1051-D1056 HydrophobicContact CE-CB 4.08Å; A1054-D1056 VanDerWaalsContact C-N 3.29Å; A1054-D1056 PolarHBondContact O-N 3.31Å; D1056-K1058 VanDerWaalsContact C-N 3.33Å; D1056-K1058 PolarHBondContact O-N 2.66Å; D1056-K1058 PolarHBondContact OD1-N 2.74Å; D1056-L1059 HydrophobicContact CB-CB 4.09Å; D1056-L1059 WeakPolarHBondContact OD1-CB 3.49Å; D1056-L1059 PolarHBondContact OD1-N 3.48Å; D1056-S1060 WeakPolarHBondContact O-CB 3.39Å; D1056-S1060 PolarHBondContact O-N 3.02Å; D1056-W1160 HydrophobicContact CB-CH2 3.7Å; D1056-W1160 HydrophobicContact CB-CZ2 4.07Å; D1056-R1168 IonicContact OD1-NH2 2.78Å; D1056-R1168 PolarHBondContact OD1-NH2 3.26Å; D1056-R1168 IonicContact OD2-CZ 3.95Å; D1056-R1168 IonicContact OD2-NE 3.55Å; D1056-R1168 PolarHBondContact OD2-NE 2.71Å; D1056-R1168 IonicContact OD2-NH2 2.71Å; D1056-R1168 PolarHBondContact OD2-NH2 3.27Å
1057	R	92.8	Very high	94.1	Very high	221 Å²	221	63.1 Å²	63.1	83%	0.834	32%	0.324	S	S	*	.	H	α-helix	trans	-62.1	-36.9	-176.9	-65	-177.8	-176.1	173.9	1.6	113.2	G1055 E1061	G1055-R1057 PolarHBondContact O-N 3.45Å; G1055-R1057 VanDerWaalsContact O-N 3.09Å; R1057-E1061 WeakPolarHBondContact O-CB 3.3Å; R1057-E1061 PolarHBondContact O-N 2.92Å
1058	K	94.2	Very high	94	Very high	72 Å²	72	69.2 Å²	69.2	31%	0.313	35%	0.354	S	S	.	.	H	α-helix	trans	-77.4	-39	-174	-169.3	62	-174.1	173	0	111.4	D1056 S1060 E1061 L1062 L1172	D1056-K1058 VanDerWaalsContact C-N 3.33Å; D1056-K1058 PolarHBondContact O-N 2.66Å; D1056-K1058 PolarHBondContact OD1-N 2.74Å; K1058-S1060 VanDerWaalsContact C-N 3.34Å; K1058-E1061 WeakPolarHBondContact CD-OE2 3.49Å; K1058-E1061 IonicContact NZ-OE1 3.89Å; K1058-E1061 PolarHBondContact NZ-OE1 3.46Å; K1058-E1061 IonicContact NZ-OE2 3.56Å; K1058-E1061 PolarHBondContact NZ-OE2 2.86Å; K1058-E1061 PolarHBondContact O-N 3.04Å; K1058-L1062 HydrophobicContact CG-CD1 4.24Å; K1058-L1062 WeakPolarHBondContact O-CG 3.22Å; K1058-L1062 PolarHBondContact O-N 3.04Å; K1058-L1062 VanDerWaalsContact O-N 3.14Å; K1058-L1172 HydrophobicContact CB-CD1 4.48Å; K1058-L1172 HydrophobicContact CB-CD2 4.45Å; K1058-L1172 HydrophobicContact CG-CD1 4.44Å; K1058-L1172 HydrophobicContact CG-CD2 4.34Å
1059	L	96.3	Very high	93.8	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-61.4	-46.9	171.6	-175.4	60.6	0	0	0	109.8	Y1047 V1050 M1051 D1056 E1061 L1062 W1063 L1157 W1160 T1171 L1172 V1175	Y1047-L1059 HydrophobicContact CD2-CD2 3.93Å; Y1047-L1059 HydrophobicContact CD2-CG 3.92Å; Y1047-L1059 HydrophobicContact CE2-CD2 4.34Å; Y1047-L1059 HydrophobicContact CE2-CG 3.97Å; V1050-L1059 HydrophobicContact CG1-CD2 4.01Å; M1051-L1059 HydrophobicContact CE-CB 3.97Å; M1051-L1059 HydrophobicContact CE-CD2 3.65Å; M1051-L1059 HydrophobicContact CE-CG 3.97Å; D1056-L1059 HydrophobicContact CB-CB 4.09Å; D1056-L1059 WeakPolarHBondContact OD1-CB 3.49Å; D1056-L1059 PolarHBondContact OD1-N 3.48Å; L1059-E1061 VanDerWaalsContact C-N 3.33Å; L1059-E1061 PolarHBondContact O-N 3.27Å; L1059-L1062 PolarHBondContact O-N 3.5Å; L1059-L1062 VanDerWaalsContact O-N 3.14Å; L1059-W1063 HydrophobicContact CD1-CE3 3.78Å; L1059-W1063 HydrophobicContact CD1-CZ3 4.19Å; L1059-W1063 HydrophobicContact CG-CE3 4.34Å; L1059-W1063 VanDerWaalsContact O-CB 3.28Å; L1059-W1063 WeakPolarHBondContact O-CB 3.38Å; L1059-W1063 PolarHBondContact O-N 3.43Å; L1059-L1157 HydrophobicContact CD2-CD2 3.94Å; L1059-W1160 HydrophobicContact CD2-CH2 4.34Å; L1059-W1160 HydrophobicContact CD2-CZ3 3.86Å; L1059-T1171 HydrophobicContact CD1-CG2 4.15Å; L1059-T1171 HydrophobicContact CD2-CG2 4.44Å; L1059-L1172 HydrophobicContact CB-CD2 4.04Å; L1059-L1172 HydrophobicContact CD1-CD2 4.19Å; L1059-V1175 HydrophobicContact CD1-CG2 3.93Å
1060	S	95.6	Very high	93.8	Very high	53 Å²	53	65.5 Å²	65.5	37%	0.371	33%	0.334	S	S	.	.	H	α-helix	trans	-57.9	-40.6	177.1	-173.9	0	0	0	0	113.4	Y1047 D1056 K1058 P1064	Y1047-S1060 PolarHBondContact OH-OG 2.9Å; D1056-S1060 WeakPolarHBondContact O-CB 3.39Å; D1056-S1060 PolarHBondContact O-N 3.02Å; K1058-S1060 VanDerWaalsContact C-N 3.34Å; S1060-P1064 WeakPolarHBondContact O-CD 3.03Å
1061	E	96.4	Very high	93.8	Very high	117 Å²	117	69.1 Å²	69.1	55%	0.547	36%	0.357	S	S	.	.	H	α-helix	trans	-65.1	-39.2	175.9	-172.7	-161	141.7	0	0	112.7	R1057 K1058 L1059	R1057-E1061 WeakPolarHBondContact O-CB 3.3Å; R1057-E1061 PolarHBondContact O-N 2.92Å; K1058-E1061 WeakPolarHBondContact CD-OE2 3.49Å; K1058-E1061 IonicContact NZ-OE1 3.89Å; K1058-E1061 PolarHBondContact NZ-OE1 3.46Å; K1058-E1061 IonicContact NZ-OE2 3.56Å; K1058-E1061 PolarHBondContact NZ-OE2 2.86Å; K1058-E1061 PolarHBondContact O-N 3.04Å; L1059-E1061 VanDerWaalsContact C-N 3.33Å; L1059-E1061 PolarHBondContact O-N 3.27Å
1062	L	96.8	Very high	93.6	Very high	12 Å²	12	69.2 Å²	69.2	6%	0.063	36%	0.362	C	S	.	.	H	α-helix	trans	-86.7	-23.8	-175.6	-65.9	177	0	0	0	113.3	K1058 L1059 R1065 M1066 L1172 V1175 K1176 I1179	K1058-L1062 HydrophobicContact CG-CD1 4.24Å; K1058-L1062 WeakPolarHBondContact O-CG 3.22Å; K1058-L1062 PolarHBondContact O-N 3.04Å; K1058-L1062 VanDerWaalsContact O-N 3.14Å; L1059-L1062 PolarHBondContact O-N 3.5Å; L1059-L1062 VanDerWaalsContact O-N 3.14Å; L1062-R1065 PolarHBondContact O-N 3.21Å; L1062-M1066 PolarHBondContact O-N 2.68Å; L1062-M1066 VanDerWaalsContact O-N 3.09Å; L1062-L1172 HydrophobicContact CD1-CD2 4.43Å; L1062-V1175 HydrophobicContact CB-CG1 3.74Å; L1062-V1175 HydrophobicContact CD1-CG1 4.26Å; L1062-K1176 HydrophobicContact CD1-CG 4Å; L1062-I1179 HydrophobicContact CB-CD1 4.11Å; L1062-I1179 HydrophobicContact CD2-CD1 4.23Å
1063	W	97.5	Very high	93.7	Very high	5 Å²	5	61.3 Å²	61.3	2%	0.019	33%	0.325	C	S	.	.	H	α-helix	trans	-58.5	-46.7	-170.2	-166.2	-105	0	0	0	114.2	L1043 Y1047 L1059 R1065 M1066 L1067 L1153 L1157 V1175	L1043-W1063 HydrophobicContact CB-CH2 4.22Å; L1043-W1063 HydrophobicContact CB-CZ2 4.15Å; Y1047-W1063 AromaticContact CD1-CD1 3.97Å; Y1047-W1063 HydrophobicContact CD1-CD2 4.42Å; Y1047-W1063 HydrophobicContact CD1-CG 4.39Å; Y1047-W1063 AromaticContact CD1-NE1 3.74Å; Y1047-W1063 HydrophobicContact CD2-CB 4.12Å; Y1047-W1063 AromaticContact CD2-CD1 3.93Å; Y1047-W1063 AromaticContact CD2-CD2 3.27Å; Y1047-W1063 HydrophobicContact CD2-CD2 3.27Å; Y1047-W1063 AromaticContact CD2-CE2 3.62Å; Y1047-W1063 AromaticContact CD2-CE3 3.55Å; Y1047-W1063 HydrophobicContact CD2-CE3 3.55Å; Y1047-W1063 AromaticContact CD2-CG 3.54Å; Y1047-W1063 HydrophobicContact CD2-CG 3.54Å; Y1047-W1063 HydrophobicContact CD2-CH2 4.43Å; Y1047-W1063 HydrophobicContact CD2-CZ2 4.21Å; Y1047-W1063 HydrophobicContact CD2-CZ3 4.11Å; Y1047-W1063 AromaticContact CD2-NE1 3.96Å; Y1047-W1063 AromaticContact CE1-CD1 3.91Å; Y1047-W1063 HydrophobicContact CE1-CG 4.32Å; Y1047-W1063 HydrophobicContact CE2-CB 3.58Å; Y1047-W1063 AromaticContact CE2-CD1 3.86Å; Y1047-W1063 AromaticContact CE2-CD2 3.73Å; Y1047-W1063 HydrophobicContact CE2-CD2 3.73Å; Y1047-W1063 HydrophobicContact CE2-CE3 4.19Å; Y1047-W1063 AromaticContact CE2-CG 3.44Å; Y1047-W1063 HydrophobicContact CE2-CG 3.44Å; Y1047-W1063 VanDerWaalsContact CE2-CG 3.44Å; Y1047-W1063 AromaticContact CG-CD1 3.98Å; Y1047-W1063 AromaticContact CG-CD2 3.67Å; Y1047-W1063 HydrophobicContact CG-CD2 3.67Å; Y1047-W1063 AromaticContact CG-CE2 3.46Å; Y1047-W1063 VanDerWaalsContact CG-CE2 3.46Å; Y1047-W1063 HydrophobicContact CG-CE3 4.19Å; Y1047-W1063 HydrophobicContact CG-CG 4.02Å; Y1047-W1063 HydrophobicContact CG-CH2 4.35Å; Y1047-W1063 AromaticContact CG-CZ2 3.85Å; Y1047-W1063 HydrophobicContact CG-CZ2 3.85Å; Y1047-W1063 HydrophobicContact CG-CZ3 4.49Å; Y1047-W1063 AromaticContact CG-NE1 3.63Å; Y1047-W1063 AromaticContact CZ-CD1 3.85Å; Y1047-W1063 AromaticContact CZ-CG 3.86Å; L1059-W1063 HydrophobicContact CD1-CE3 3.78Å; L1059-W1063 HydrophobicContact CD1-CZ3 4.19Å; L1059-W1063 HydrophobicContact CG-CE3 4.34Å; L1059-W1063 VanDerWaalsContact O-CB 3.28Å; L1059-W1063 WeakPolarHBondContact O-CB 3.38Å; L1059-W1063 PolarHBondContact O-N 3.43Å; W1063-R1065 VanDerWaalsContact C-N 3.31Å; W1063-R1065 PolarHBondContact O-N 3.04Å; W1063-M1066 HydrophobicContact CD2-CE 3.63Å; W1063-M1066 HydrophobicContact CE3-CE 3.41Å; W1063-M1066 VanDerWaalsContact CE3-CE 3.41Å; W1063-M1066 HydrophobicContact CH2-CE 3.3Å; W1063-M1066 HydrophobicContact CZ2-CE 3.52Å; W1063-M1066 HydrophobicContact CZ3-CE 3.25Å; W1063-M1066 WeakPolarHBondContact O-CB 3.19Å; W1063-M1066 PolarHBondContact O-N 3.15Å; W1063-M1066 VanDerWaalsContact O-N 3.08Å; W1063-L1067 HydrophobicContact CZ2-CD2 4.45Å; W1063-L1067 WeakPolarHBondContact O-CG 3.22Å; W1063-L1067 PolarHBondContact O-N 2.9Å; W1063-L1153 HydrophobicContact CZ3-CD2 4.29Å; W1063-L1157 HydrophobicContact CH2-CD1 3.53Å; W1063-L1157 HydrophobicContact CZ3-CD1 3.82Å; W1063-V1175 HydrophobicContact CZ3-CG2 4.42Å
1064	P	96.1	Very high	94	Very high	71 Å²	71	58 Å²	58	46%	0.461	30%	0.3	S	S	.	.	H	α-helix	trans	-59.4	-40.9	178.6	-24.1	34.9	0	0	0	112.8	S1060 M1066 L1067 E1068	S1060-P1064 WeakPolarHBondContact O-CD 3.03Å; P1064-M1066 VanDerWaalsContact C-N 3.3Å; P1064-M1066 PolarHBondContact O-N 3.11Å; P1064-L1067 PolarHBondContact O-N 3.38Å; P1064-E1068 WeakPolarHBondContact O-CG 3.41Å; P1064-E1068 PolarHBondContact O-N 3.46Å; P1064-E1068 VanDerWaalsContact O-N 3.1Å
1065	R	96	Very high	94.1	Very high	137 Å²	137	62.5 Å²	62.5	52%	0.517	31%	0.312	S	S	.	.	H	α-helix	trans	-67	-31.9	177.7	-65.1	179.3	62.7	-175	-3.3	112.4	L1062 W1063 I1179	L1062-R1065 PolarHBondContact O-N 3.21Å; W1063-R1065 VanDerWaalsContact C-N 3.31Å; W1063-R1065 PolarHBondContact O-N 3.04Å; R1065-I1179 HydrophobicContact CB-CD1 4.06Å; R1065-I1179 HydrophobicContact CB-CG1 4.32Å
1066	M	94.4	Very high	94	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-70.1	-44.5	174.3	-174.7	-77.8	-63.6	0	0	110.7	L1062 W1063 P1064 E1068 K1069 I1070 L1150 L1153 V1175 I1178 I1179	L1062-M1066 PolarHBondContact O-N 2.68Å; L1062-M1066 VanDerWaalsContact O-N 3.09Å; W1063-M1066 HydrophobicContact CD2-CE 3.63Å; W1063-M1066 HydrophobicContact CE3-CE 3.41Å; W1063-M1066 VanDerWaalsContact CE3-CE 3.41Å; W1063-M1066 HydrophobicContact CH2-CE 3.3Å; W1063-M1066 HydrophobicContact CZ2-CE 3.52Å; W1063-M1066 HydrophobicContact CZ3-CE 3.25Å; W1063-M1066 WeakPolarHBondContact O-CB 3.19Å; W1063-M1066 PolarHBondContact O-N 3.15Å; W1063-M1066 VanDerWaalsContact O-N 3.08Å; P1064-M1066 VanDerWaalsContact C-N 3.3Å; P1064-M1066 PolarHBondContact O-N 3.11Å; M1066-E1068 VanDerWaalsContact C-N 3.32Å; M1066-E1068 PolarHBondContact O-N 3.11Å; M1066-K1069 WeakPolarHBondContact O-CB 3.43Å; M1066-K1069 PolarHBondContact O-N 2.87Å; M1066-I1070 PolarHBondContact O-N 3.36Å; M1066-I1070 HydrophobicContact SD-CD1 3.91Å; M1066-I1070 HydrophobicContact SD-CG1 3.99Å; M1066-L1150 HydrophobicContact SD-CD2 4.28Å; M1066-L1153 HydrophobicContact CE-CD2 4.03Å; M1066-L1153 HydrophobicContact CG-CD2 4.4Å; M1066-L1153 HydrophobicContact SD-CD2 4.04Å; M1066-V1175 HydrophobicContact CB-CG1 4.06Å; M1066-V1175 HydrophobicContact CG-CG1 4.21Å; M1066-I1178 HydrophobicContact CG-CB 4.48Å; M1066-I1178 HydrophobicContact CG-CG2 4.16Å; M1066-I1179 HydrophobicContact CB-CD1 4.2Å; M1066-I1179 HydrophobicContact CB-CG1 4.08Å
1067	L	95.3	Very high	93.8	Very high	48 Å²	48	67.1 Å²	67.1	25%	0.251	32%	0.318	S	S	.	.	H	α-helix	trans	-58	-41.8	176.8	-68.5	176.4	0	0	0	112.2	T1039 W1063 P1064 K1069 I1070	T1039-L1067 HydrophobicContact CG2-CD2 3.76Å; W1063-L1067 HydrophobicContact CZ2-CD2 4.45Å; W1063-L1067 WeakPolarHBondContact O-CG 3.22Å; W1063-L1067 PolarHBondContact O-N 2.9Å; P1064-L1067 PolarHBondContact O-N 3.38Å; L1067-K1069 PolarHBondContact O-N 3.41Å; L1067-K1069 VanDerWaalsContact O-N 3.16Å; L1067-I1070 HydrophobicContact CD2-CD1 3.82Å; L1067-I1070 PolarHBondContact O-N 3.03Å
1068	E	94.2	Very high	93.6	Very high	153 Å²	153	59.4 Å²	59.4	72%	0.715	31%	0.308	S	S	*	.	H	α-helix	trans	-58	-27.3	176.3	-74.7	174.5	-176	0	0	113.5	P1064 M1066	P1064-E1068 WeakPolarHBondContact O-CG 3.41Å; P1064-E1068 PolarHBondContact O-N 3.46Å; P1064-E1068 VanDerWaalsContact O-N 3.1Å; M1066-E1068 VanDerWaalsContact C-N 3.32Å; M1066-E1068 PolarHBondContact O-N 3.11Å
1069	K	93.7	Very high	93.5	Very high	71 Å²	71	63.7 Å²	63.7	31%	0.309	33%	0.329	S	S	.	.	H	α-helix	trans	-86.1	-19.1	-178.1	-72	-74.2	-168.1	151.1	0	113.9	M1066 L1067 S1072 C1073 I1178 I1179 S1181	M1066-K1069 WeakPolarHBondContact O-CB 3.43Å; M1066-K1069 PolarHBondContact O-N 2.87Å; L1067-K1069 PolarHBondContact O-N 3.41Å; L1067-K1069 VanDerWaalsContact O-N 3.16Å; K1069-S1072 PolarHBondContact O-N 2.83Å; K1069-S1072 PolarHBondContact O-OG 3.3Å; K1069-C1073 PolarHBondContact O-SG 3.38Å; K1069-I1178 HydrophobicContact CB-CG2 4.16Å; K1069-I1179 VanDerWaalsContact CE-O 3.29Å; K1069-I1179 WeakPolarHBondContact CE-O 3.33Å; K1069-I1179 PolarHBondContact NZ-O 3.39Å; K1069-S1181 PolarHBondContact NZ-OXT 3.42Å
1070	I	94.6	Very high	93.4	Very high	1 Å²	1	65 Å²	65	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-56.1	-50.6	-174	-63.2	179.6	0	0	0	112	V1035 T1039 L1043 M1066 L1067 S1072 C1073 F1074 L1150	V1035-I1070 HydrophobicContact CG1-CG2 3.99Å; T1039-I1070 HydrophobicContact CG2-CD1 3.89Å; L1043-I1070 HydrophobicContact CD1-CD1 3.76Å; M1066-I1070 PolarHBondContact O-N 3.36Å; M1066-I1070 HydrophobicContact SD-CD1 3.91Å; M1066-I1070 HydrophobicContact SD-CG1 3.99Å; L1067-I1070 HydrophobicContact CD2-CD1 3.82Å; L1067-I1070 PolarHBondContact O-N 3.03Å; I1070-S1072 VanDerWaalsContact C-N 3.28Å; I1070-S1072 PolarHBondContact O-N 2.93Å; I1070-C1073 VanDerWaalsContact O-CB 3.29Å; I1070-C1073 WeakPolarHBondContact O-CB 3.21Å; I1070-C1073 PolarHBondContact O-N 3.47Å; I1070-F1074 HydrophobicContact CG2-CD2 4.29Å; I1070-F1074 HydrophobicContact CG2-CE2 3.91Å; I1070-F1074 WeakPolarHBondContact O-CD2 3.44Å; I1070-L1150 HydrophobicContact CD1-CD2 4.43Å; I1070-L1150 HydrophobicContact CG1-CD2 3.91Å; I1070-L1150 HydrophobicContact CG2-CD1 4.29Å
1071	P	92.5	Very high	93.4	Very high	75 Å²	75	64.7 Å²	64.7	49%	0.487	33%	0.331	S	S	.	.	H	α-helix	trans	-56.9	-39.3	-178	-26.2	36	0	0	0	113.5	C1073 F1074 E1075	P1071-C1073 PolarHBondContact O-N 2.97Å; P1071-F1074 PolarHBondContact O-N 3.12Å; P1071-E1075 PolarHBondContact O-N 3.32Å
1072	S	91.8	Very high	93.4	Very high	41 Å²	41	59.4 Å²	59.4	29%	0.287	31%	0.307	S	S	.	.	H	α-helix	trans	-63.3	-23.7	179.1	76.7	0	0	0	0	113.7	K1069 I1070 F1074	K1069-S1072 PolarHBondContact O-N 2.83Å; K1069-S1072 PolarHBondContact O-OG 3.3Å; I1070-S1072 VanDerWaalsContact C-N 3.28Å; I1070-S1072 PolarHBondContact O-N 2.93Å; S1072-F1074 PolarHBondContact O-N 3.21Å
1073	C	92.8	Very high	93.5	Very high	4 Å²	4	59 Å²	59	3%	0.027	31%	0.305	C	S	.	.	H	α-helix	trans	-72	-18.4	176	-61.1	0	0	0	0	112.5	K1069 I1070 P1071 K1146 R1147 L1150	K1069-C1073 PolarHBondContact O-SG 3.38Å; I1070-C1073 VanDerWaalsContact O-CB 3.29Å; I1070-C1073 WeakPolarHBondContact O-CB 3.21Å; I1070-C1073 PolarHBondContact O-N 3.47Å; P1071-C1073 PolarHBondContact O-N 2.97Å; C1073-K1146 HydrophobicContact CB-CB 4.35Å; C1073-R1147 HydrophobicContact CB-CG 4.33Å; C1073-R1147 VanDerWaalsContact O-CG 3.28Å; C1073-R1147 WeakPolarHBondContact O-CG 3.43Å; C1073-R1147 PolarHBondContact O-NH1 3.4Å; C1073-L1150 HydrophobicContact CB-CD1 3.61Å
1074	F	94.6	Very high	93.5	Very high	18 Å²	18	58.9 Å²	58.9	8%	0.079	31%	0.305	C	S	.	.	H	α-helix	trans	-107.3	-9.9	-176.5	-67.4	-85.8	0	0	0	114.2	W1034 V1035 I1070 P1071 S1072 K1076 C1077 I1080 R1147 L1150 Y1151	W1034-F1074 AromaticContact CD1-CE1 3.68Å; W1034-F1074 AromaticContact NE1-CE1 3.6Å; W1034-F1074 AromaticContact NE1-CZ 3.81Å; V1035-F1074 HydrophobicContact CG1-CD2 4.17Å; V1035-F1074 HydrophobicContact CG1-CE2 4.47Å; V1035-F1074 HydrophobicContact CG2-CB 3.98Å; V1035-F1074 HydrophobicContact CG2-CD1 4.12Å; V1035-F1074 HydrophobicContact CG2-CD2 3.83Å; V1035-F1074 HydrophobicContact CG2-CE2 4.36Å; V1035-F1074 HydrophobicContact CG2-CG 3.71Å; I1070-F1074 HydrophobicContact CG2-CD2 4.29Å; I1070-F1074 HydrophobicContact CG2-CE2 3.91Å; I1070-F1074 WeakPolarHBondContact O-CD2 3.44Å; P1071-F1074 PolarHBondContact O-N 3.12Å; S1072-F1074 PolarHBondContact O-N 3.21Å; F1074-K1076 VanDerWaalsContact C-N 3.27Å; F1074-K1076 PolarHBondContact O-N 3.13Å; F1074-K1076 VanDerWaalsContact O-N 3.09Å; F1074-C1077 HydrophobicContact CD1-CB 4.5Å; F1074-C1077 WeakPolarHBondContact O-CB 3.49Å; F1074-C1077 PolarHBondContact O-N 3.33Å; F1074-I1080 HydrophobicContact CD1-CD1 3.83Å; F1074-I1080 HydrophobicContact CE1-CD1 4.12Å; F1074-R1147 VanDerWaalsContact CD1-CD 3.41Å; F1074-R1147 HydrophobicContact CD1-CG 4.2Å; F1074-R1147 HydrophobicContact CE1-CG 3.97Å; F1074-R1147 HydrophobicContact CZ-CG 4.18Å; F1074-L1150 HydrophobicContact CE2-CD1 3.87Å; F1074-L1150 HydrophobicContact CZ-CD1 4.41Å; F1074-Y1151 WeakPolarHBondContact CE1-OH 3.43Å
1075	E	89	Confident	93.6	Very high	150 Å²	150	55.5 Å²	55.5	70%	0.701	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-40.5	-176.1	-77.7	174.4	-169.7	0	0	114.8	P1071	P1071-E1075 PolarHBondContact O-N 3.32Å
1076	K	86.9	Confident	93.7	Very high	157 Å²	157	49 Å²	49	68%	0.683	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	11.8	-178.3	-56.6	-174.1	179.4	-179.9	0	113.6	F1074 P1142	F1074-K1076 VanDerWaalsContact C-N 3.27Å; F1074-K1076 PolarHBondContact O-N 3.13Å; F1074-K1076 VanDerWaalsContact O-N 3.09Å; K1076-P1142 HydrophobicContact CB-CB 3.87Å
1077	C	89.1	Confident	93.7	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.02	26%	0.26	C	S	.	.	S	Bend	trans	-79.8	-20.8	-176.4	-166.9	0	0	0	0	113.1	F1074 R1141 R1147	F1074-C1077 HydrophobicContact CD1-CB 4.5Å; F1074-C1077 WeakPolarHBondContact O-CB 3.49Å; F1074-C1077 PolarHBondContact O-N 3.33Å; C1077-R1141 WeakPolarHBondContact O-CD 3.41Å; C1077-R1141 PolarHBondContact O-NH1 3.08Å; C1077-R1147 VanDerWaalsContact SG-CZ 3.5Å
1078	G	88.8	Confident	93.6	Very high	59 Å²	59	48 Å²	48	61%	0.608	25%	0.254	S	S	*	.			trans	67.4	-168.7	-170.3	0	0	0	0	0	112.3	I1080	G1078-I1080 PolarHBondContact O-N 3.3Å
1079	E	90.8	Very high	93.6	Very high	163 Å²	163	40.7 Å²	40.7	76%	0.762	22%	0.22	S	C	*	.	P	Polyproline II helix	trans	-63.6	129.2	179.8	-175.1	178.9	-160.1	0	0	111.7	V1081 R1141	E1079-V1081 HydrophobicContact CG-CG2 4.49Å; E1079-R1141 PolarHBondContact O-NH1 3Å
1080	I	95.3	Very high	93.6	Very high	28 Å²	28	41.8 Å²	41.8	14%	0.144	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-98.3	117.7	175.3	-61.9	176.9	0	0	0	107.3	F1013 W1034 F1074 G1078 H1112	F1013-I1080 HydrophobicContact CE1-CG2 3.82Å; F1013-I1080 HydrophobicContact CZ-CB 4.3Å; F1013-I1080 HydrophobicContact CZ-CG2 3.79Å; F1013-I1080 WeakPolarHBondContact CZ-O 3.37Å; W1034-I1080 HydrophobicContact CB-CB 4.37Å; W1034-I1080 HydrophobicContact CB-CD1 4.13Å; W1034-I1080 HydrophobicContact CB-CG2 4.02Å; W1034-I1080 VanDerWaalsContact CD1-CD1 3.46Å; W1034-I1080 HydrophobicContact CG-CD1 3.98Å; W1034-I1080 HydrophobicContact CG-CG2 4.1Å; F1074-I1080 HydrophobicContact CD1-CD1 3.83Å; F1074-I1080 HydrophobicContact CE1-CD1 4.12Å; G1078-I1080 PolarHBondContact O-N 3.3Å; I1080-H1112 HydrophobicContact CG2-CB 3.74Å
1081	V	94.3	Very high	93.3	Very high	45 Å²	45	43.5 Å²	43.5	27%	0.273	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-96.3	133	174.5	-176.8	0	0	0	0	108.1	S985 L988 E1079 C1083	S985-V1081 WeakPolarHBondContact OG-CG1 3.49Å; L988-V1081 HydrophobicContact CD1-CG1 3.91Å; E1079-V1081 HydrophobicContact CG-CG2 4.49Å; V1081-C1083 PolarHBondContact O-N 2.86Å
1082	P	97.8	Very high	93.2	Very high	7 Å²	7	41.4 Å²	41.4	5%	0.045	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-58.1	133	175.9	-17.7	26.5	0	0	0	110.7	N984 K1012 F1013 Y1110	N984-P1082 PolarHBondContact ND2-O 2.94Å; K1012-P1082 WeakPolarHBondContact O-CB 3.47Å; K1012-P1082 WeakPolarHBondContact O-CG 3.06Å; F1013-P1082 HydrophobicContact CD1-CB 3.81Å; F1013-P1082 HydrophobicContact CD1-CG 3.81Å; F1013-P1082 HydrophobicContact CD2-CG 4.44Å; F1013-P1082 HydrophobicContact CE1-CB 3.8Å; F1013-P1082 HydrophobicContact CE1-CG 3.58Å; F1013-P1082 HydrophobicContact CE2-CG 4.21Å; F1013-P1082 HydrophobicContact CG-CG 4.26Å; F1013-P1082 HydrophobicContact CZ-CB 4.49Å; F1013-P1082 HydrophobicContact CZ-CG 3.78Å; P1082-Y1110 HydrophobicContact CB-CD1 4.34Å
1083	C	97.5	Very high	93.2	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.02	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	150.1	173.1	69.8	0	0	0	0	110.2	H981 V1081 L1085 Y1110 G1111 S1113	H981-C1083 HydrophobicContact CB-CB 4.38Å; H981-C1083 WeakPolarHBondContact O-CB 3.47Å; V1081-C1083 PolarHBondContact O-N 2.86Å; C1083-L1085 PolarHBondContact O-N 3.36Å; C1083-Y1110 CarbonylContact O-C 3.6Å; C1083-Y1110 VanDerWaalsContact O-CA 3.28Å; C1083-Y1110 WeakPolarHBondContact O-CA 3.45Å; C1083-G1111 PolarHBondContact N-O 2.97Å; C1083-G1111 PolarHBondContact O-N 2.98Å; C1083-G1111 PolarHBondContact SG-O 2.76Å; C1083-S1113 WeakPolarHBondContact SG-CA 3.07Å; C1083-S1113 PolarHBondContact SG-N 3.33Å; C1083-S1113 VanDerWaalsContact SG-N 3.42Å
1084	L	98.1	Very high	93.3	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	118.1	-179.9	180	61.2	0	0	0	109.5	A931 L932 A935 L980 F1015 Y1110	A931-L1084 HydrophobicContact CB-CD1 4.18Å; A931-L1084 HydrophobicContact CB-CD2 3.91Å; L932-L1084 HydrophobicContact CD2-CD2 4.05Å; L932-L1084 HydrophobicContact CD2-CG 4.16Å; A935-L1084 HydrophobicContact CB-CD2 4.23Å; L980-L1084 HydrophobicContact CD1-CD2 4.22Å; F1015-L1084 HydrophobicContact CE2-CD1 4.09Å; L1084-Y1110 HydrophobicContact CB-CD1 4.49Å; L1084-Y1110 HydrophobicContact CB-CE1 4.06Å; L1084-Y1110 HydrophobicContact CD1-CD2 4.49Å; L1084-Y1110 HydrophobicContact CD1-CE2 4.08Å
1085	L	98.1	Very high	93.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	151.6	178.2	-58.7	178.5	0	0	0	110.7	C1083 G1087 S1108 F1109 F1115 E1116	C1083-L1085 PolarHBondContact O-N 3.36Å; L1085-G1087 VanDerWaalsContact C-N 3.33Å; L1085-S1108 VanDerWaalsContact O-CA 3.31Å; L1085-S1108 WeakPolarHBondContact O-CA 3.43Å; L1085-S1108 WeakPolarHBondContact O-CB 3.48Å; L1085-S1108 PolarHBondContact O-OG 3.4Å; L1085-F1109 WeakPolarHBondContact CB-O 3.33Å; L1085-F1109 HydrophobicContact CD1-CD2 4.47Å; L1085-F1109 HydrophobicContact CD1-CE1 4.35Å; L1085-F1109 HydrophobicContact CD1-CE2 3.91Å; L1085-F1109 HydrophobicContact CD1-CZ 3.83Å; L1085-F1109 PolarHBondContact N-O 3.14Å; L1085-F1115 HydrophobicContact CD1-CB 3.9Å; L1085-F1115 HydrophobicContact CD1-CD1 3.82Å; L1085-F1115 HydrophobicContact CD1-CG 4.11Å; L1085-E1116 WeakPolarHBondContact CA-OE2 3.41Å; L1085-E1116 WeakPolarHBondContact CB-OE2 3.26Å
1086	H	97.5	Very high	93.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.185	C	C	.	.			trans	-68.9	-38.4	162.7	-178.6	-86.8	0	0	0	110.1	D1088 L1089 F1104 D1105 A1107 S1108 E1116	H1086-D1088 PolarHBondContact CE1-O 2.64Å; H1086-D1088 VanDerWaalsContact ND1-C 3.26Å; H1086-D1088 PolarHBondContact ND1-N 2.77Å; H1086-D1088 PolarHBondContact ND1-O 2.71Å; H1086-D1088 PolarHBondContact O-N 2.82Å; H1086-L1089 HydrophobicContact CB-CB 4.06Å; H1086-L1089 HydrophobicContact CB-CD1 4.23Å; H1086-L1089 PolarHBondContact ND1-N 3.08Å; H1086-F1104 PolarHBondContact CE1-O 3.22Å; H1086-F1104 PolarHBondContact NE2-O 3.13Å; H1086-F1104 VanDerWaalsContact NE2-O 3.11Å; H1086-D1105 PolarHBondContact CE1-O 2.83Å; H1086-A1107 CarbonylContact O-C 3.57Å; H1086-A1107 PolarHBondContact O-N 3.04Å; H1086-S1108 PolarHBondContact O-N 2.96Å; H1086-E1116 PolarHBondContact N-OE2 2.9Å
1087	G	94.4	Very high	93.9	Very high	2 Å²	2	26.4 Å²	26.4	2%	0.021	16%	0.157	C	C	.	.	S	Bend	trans	85.6	-21.7	171.1	0	0	0	0	0	115.1	L1085 E1116	L1085-G1087 VanDerWaalsContact C-N 3.33Å; G1087-E1116 PolarHBondContact N-OE1 3.15Å; G1087-E1116 PolarHBondContact N-OE2 3.16Å; G1087-E1116 VanDerWaalsContact N-OE2 3.14Å
1088	D	94.5	Very high	94.1	Very high	24 Å²	24	31.3 Å²	31.3	13%	0.128	19%	0.188	C	C	.	.			trans	-139.6	44.5	174.2	-165.2	25.1	0	0	0	112.5	H1086 W1090 N1093 A1107	H1086-D1088 PolarHBondContact CE1-O 2.64Å; H1086-D1088 VanDerWaalsContact ND1-C 3.26Å; H1086-D1088 PolarHBondContact ND1-N 2.77Å; H1086-D1088 PolarHBondContact ND1-O 2.71Å; H1086-D1088 PolarHBondContact O-N 2.82Å; D1088-W1090 VanDerWaalsContact C-N 3.27Å; D1088-W1090 PolarHBondContact O-N 2.71Å; D1088-N1093 PolarHBondContact O-ND2 2.97Å; D1088-N1093 PolarHBondContact OD2-ND2 2.79Å; D1088-A1107 HydrophobicContact CB-CB 4.3Å
1089	L	94.4	Very high	94.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.197	C	C	.	.			trans	-80.5	62.5	-174.2	-165.4	71.7	0	0	0	113.6	L977 H1086 V1094 I1103 E1116 A1120 F1126	L977-L1089 HydrophobicContact CD1-CD2 4Å; L977-L1089 HydrophobicContact CD2-CD2 3.66Å; L977-L1089 HydrophobicContact CG-CD2 4.49Å; H1086-L1089 HydrophobicContact CB-CB 4.06Å; H1086-L1089 HydrophobicContact CB-CD1 4.23Å; H1086-L1089 PolarHBondContact ND1-N 3.08Å; L1089-V1094 HydrophobicContact CD1-CG2 3.56Å; L1089-V1094 HydrophobicContact CG-CG2 4.12Å; L1089-I1103 HydrophobicContact CD1-CB 3.91Å; L1089-I1103 HydrophobicContact CD1-CD1 4.45Å; L1089-I1103 HydrophobicContact CD1-CG2 3.65Å; L1089-E1116 HydrophobicContact CB-CG 3.81Å; L1089-E1116 WeakPolarHBondContact CB-OE1 3.39Å; L1089-E1116 HydrophobicContact CD2-CG 3.83Å; L1089-E1116 HydrophobicContact CG-CG 4.49Å; L1089-E1116 PolarHBondContact N-OE1 2.96Å; L1089-A1120 WeakPolarHBondContact O-CA 3.22Å; L1089-A1120 WeakPolarHBondContact O-CB 3.2Å; L1089-F1126 HydrophobicContact CD2-CE2 4.32Å; L1089-F1126 HydrophobicContact CG-CE2 4.26Å; L1089-F1126 HydrophobicContact CG-CZ 4.18Å
1090	W	92.5	Very high	94.4	Very high	94 Å²	94	27.2 Å²	27.2	36%	0.356	17%	0.165	S	C	.	.			trans	-86.9	168.7	170.5	76.9	-77	0	0	0	111.7	D1088 G1092 N1093 I1119	D1088-W1090 VanDerWaalsContact C-N 3.27Å; D1088-W1090 PolarHBondContact O-N 2.71Å; W1090-G1092 VanDerWaalsContact CD2-N 3.31Å; W1090-G1092 PolarHBondContact O-N 3.47Å; W1090-N1093 VanDerWaalsContact CD1-ND2 3.27Å; W1090-N1093 PolarHBondContact NE1-ND2 3.04Å; W1090-N1093 PolarHBondContact NE1-OD1 2.98Å; W1090-N1093 PolarHBondContact O-N 3.01Å; W1090-I1119 HydrophobicContact CB-CD1 4.48Å; W1090-I1119 HydrophobicContact CB-CG1 3.64Å
1091	S	89.3	Confident	94.5	Very high	37 Å²	37	26 Å²	26	26%	0.259	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-61	-19.5	-173.1	64.3	0	0	0	0	115.1	F1123	S1091-F1123 PolarHBondContact OG-O 2.82Å
1092	G	89.1	Confident	94.7	Very high	31 Å²	31	23.9 Å²	23.9	32%	0.32	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-84	-14.1	174.7	0	0	0	0	0	115.1	W1090 V1094 F1104	W1090-G1092 VanDerWaalsContact CD2-N 3.31Å; W1090-G1092 PolarHBondContact O-N 3.47Å; G1092-V1094 VanDerWaalsContact C-N 3.34Å; G1092-F1104 WeakPolarHBondContact O-CE2 3.18Å; G1092-F1104 VanDerWaalsContact O-CZ 3.24Å; G1092-F1104 WeakPolarHBondContact O-CZ 3.37Å
1093	N	93.1	Very high	94.6	Very high	9 Å²	9	23.6 Å²	23.6	5%	0.048	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-99.7	19.5	178.3	-76.6	-1.5	0	0	0	112.1	D1088 W1090 F1104 D1105	D1088-N1093 PolarHBondContact O-ND2 2.97Å; D1088-N1093 PolarHBondContact OD2-ND2 2.79Å; W1090-N1093 VanDerWaalsContact CD1-ND2 3.27Å; W1090-N1093 PolarHBondContact NE1-ND2 3.04Å; W1090-N1093 PolarHBondContact NE1-OD1 2.98Å; W1090-N1093 PolarHBondContact O-N 3.01Å; N1093-F1104 VanDerWaalsContact CB-O 3.26Å; N1093-F1104 WeakPolarHBondContact CB-O 3.5Å; N1093-F1104 PolarHBondContact O-N 3.49Å; N1093-F1104 VanDerWaalsContact O-N 3.11Å; N1093-D1105 PolarHBondContact ND2-O 3Å
1094	V	94.2	Very high	94.5	Very high	9 Å²	9	25.9 Å²	25.9	6%	0.055	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	134.2	-177.4	-174.8	0	0	0	0	110.6	L966 L973 L1089 G1092 V1102 I1103 F1126	L966-V1094 HydrophobicContact CB-CG1 4.12Å; L966-V1094 HydrophobicContact CD2-CG1 3.85Å; L966-V1094 HydrophobicContact CG-CG1 4.42Å; L973-V1094 HydrophobicContact CD2-CG1 3.49Å; L973-V1094 VanDerWaalsContact CD2-CG1 3.49Å; L1089-V1094 HydrophobicContact CD1-CG2 3.56Å; L1089-V1094 HydrophobicContact CG-CG2 4.12Å; G1092-V1094 VanDerWaalsContact C-N 3.34Å; V1094-V1102 WeakPolarHBondContact CA-O 3.43Å; V1094-I1103 HydrophobicContact CG1-CG2 4.37Å; V1094-I1103 HydrophobicContact CG2-CG2 4.14Å; V1094-F1126 HydrophobicContact CB-CE1 4.2Å; V1094-F1126 HydrophobicContact CB-CZ 4.48Å; V1094-F1126 HydrophobicContact CG1-CE1 4.39Å; V1094-F1126 HydrophobicContact CG2-CE1 3.88Å; V1094-F1126 HydrophobicContact CG2-CZ 3.67Å
1095	A	94.2	Very high	94.3	Very high	6 Å²	6	28.4 Å²	28.4	5%	0.05	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	175.1	174.8	0	0	0	0	0	111.1	M963 S964 P1101 V1102 F1104	M963-A1095 HydrophobicContact CB-CB 3.99Å; M963-A1095 HydrophobicContact CG-CB 4.12Å; M963-A1095 HydrophobicContact SD-CB 4.06Å; S964-A1095 CarbonylContact O-C 3.46Å; S964-A1095 VanDerWaalsContact O-CA 3.27Å; S964-A1095 WeakPolarHBondContact O-CA 3.36Å; S964-A1095 WeakPolarHBondContact O-CB 3.18Å; A1095-P1101 WeakPolarHBondContact O-CA 3.4Å; A1095-V1102 PolarHBondContact N-O 3.01Å; A1095-V1102 PolarHBondContact O-N 3.4Å; A1095-V1102 VanDerWaalsContact O-O 3.14Å; A1095-F1104 HydrophobicContact CB-CE1 3.81Å
1096	E	95.1	Very high	94.2	Very high	19 Å²	19	28.7 Å²	28.7	9%	0.089	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	144	163.6	68.8	-174.1	-160.6	0	0	111.3	S964 L966 N967 K968 Y969	S964-E1096 PolarHBondContact N-O 3.11Å; S964-E1096 PolarHBondContact O-N 3.09Å; S964-E1096 WeakPolarHBondContact OG-CG 3.42Å; S964-E1096 PolarHBondContact OG-O 3.44Å; S964-E1096 VanDerWaalsContact OG-O 3.13Å; L966-E1096 HydrophobicContact CD1-CB 4.08Å; N967-E1096 PolarHBondContact N-OE1 3Å; N967-E1096 PolarHBondContact N-OE2 2.96Å; K968-E1096 PolarHBondContact N-OE1 2.81Å; K968-E1096 VanDerWaalsContact N-OE1 3.13Å; K968-E1096 PolarHBondContact N-OE2 3.24Å; Y969-E1096 HydrophobicContact CD2-CB 4.06Å; Y969-E1096 HydrophobicContact CD2-CG 4.44Å; Y969-E1096 PolarHBondContact N-OE2 2.85Å
1097	T	94.5	Very high	94.2	Very high	13 Å²	13	28.8 Å²	28.8	8%	0.08	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	169.6	168.3	60.9	0	0	0	0	108.6	I960 M963 T1099 G1100 V1102	I960-T1097 HydrophobicContact CG2-CG2 3.57Å; M963-T1097 HydrophobicContact CG-CG2 4.35Å; T1097-T1099 PolarHBondContact O-N 2.99Å; T1097-T1099 PolarHBondContact OG1-N 3.25Å; T1097-T1099 PolarHBondContact OG1-OG1 3.06Å; T1097-G1100 PolarHBondContact N-O 3.21Å; T1097-G1100 PolarHBondContact O-N 3.4Å; T1097-G1100 PolarHBondContact OG1-N 2.9Å; T1097-G1100 PolarHBondContact OG1-O 3.48Å; T1097-V1102 HydrophobicContact CG2-CG2 3.69Å
1098	P	92.1	Very high	94.3	Very high	105 Å²	105	28.7 Å²	28.7	68%	0.682	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-23	172.1	-28.3	36.6	0	0	0	114.3	Y969	Y969-P1098 PolarHBondContact OH-O 3.33Å
1099	T	91.7	Very high	94.5	Very high	129 Å²	129	27.5 Å²	27.5	79%	0.791	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-20.9	-177.7	49.3	0	0	0	0	114.8	T1097	T1097-T1099 PolarHBondContact O-N 2.99Å; T1097-T1099 PolarHBondContact OG1-N 3.25Å; T1097-T1099 PolarHBondContact OG1-OG1 3.06Å
1100	G	95.5	Very high	94.7	Very high	8 Å²	8	28.1 Å²	28.1	8%	0.082	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.9	-179	-176.4	0	0	0	0	0	114.4	T1097	T1097-G1100 PolarHBondContact N-O 3.21Å; T1097-G1100 PolarHBondContact O-N 3.4Å; T1097-G1100 PolarHBondContact OG1-N 2.9Å; T1097-G1100 PolarHBondContact OG1-O 3.48Å
1101	P	97.5	Very high	95	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.019	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	152.9	-177.2	36.1	-36.3	0	0	0	111.1	R939 L966 L972 L973 A1095	R939-P1101 WeakPolarHBondContact CB-O 3.36Å; L966-P1101 HydrophobicContact CD1-CB 3.85Å; L972-P1101 HydrophobicContact CG-CG 4.38Å; L973-P1101 HydrophobicContact CB-CB 3.8Å; L973-P1101 HydrophobicContact CB-CG 3.9Å; L973-P1101 HydrophobicContact CD1-CB 4.05Å; L973-P1101 HydrophobicContact CD1-CG 4.21Å; L973-P1101 HydrophobicContact CG-CB 4.34Å; A1095-P1101 WeakPolarHBondContact O-CA 3.4Å
1102	V	97.2	Very high	95.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	137.5	179.9	-178.2	0	0	0	0	108.7	R939 I960 M963 V1094 A1095 T1097 F1104	R939-V1102 HydrophobicContact CB-CG2 4.16Å; R939-V1102 HydrophobicContact CG-CG1 4.36Å; R939-V1102 HydrophobicContact CG-CG2 3.77Å; R939-V1102 VanDerWaalsContact O-CA 3.3Å; R939-V1102 WeakPolarHBondContact O-CA 3.25Å; I960-V1102 HydrophobicContact CD1-CG1 3.59Å; I960-V1102 HydrophobicContact CG2-CG2 4.43Å; M963-V1102 HydrophobicContact SD-CG1 4.48Å; V1094-V1102 WeakPolarHBondContact CA-O 3.43Å; A1095-V1102 PolarHBondContact N-O 3.01Å; A1095-V1102 PolarHBondContact O-N 3.4Å; A1095-V1102 VanDerWaalsContact O-O 3.14Å; T1097-V1102 HydrophobicContact CG2-CG2 3.69Å; V1102-F1104 HydrophobicContact CG1-CD1 4.47Å
1103	I	97.2	Very high	95.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	145.8	172.3	68.1	-178.5	0	0	0	109.3	V938 R939 V940 P941 L973 L1089 V1094	V938-I1103 HydrophobicContact CB-CD1 4.02Å; V938-I1103 HydrophobicContact CB-CG1 4.39Å; V938-I1103 HydrophobicContact CG1-CD1 3.94Å; V938-I1103 HydrophobicContact CG1-CG1 3.92Å; V938-I1103 HydrophobicContact CG1-CG2 3.97Å; V938-I1103 HydrophobicContact CG2-CD1 4.34Å; R939-I1103 PolarHBondContact O-N 3.47Å; V940-I1103 WeakPolarHBondContact CA-O 3.23Å; V940-I1103 HydrophobicContact CG1-CD1 4.1Å; V940-I1103 HydrophobicContact CG1-CG1 3.45Å; V940-I1103 VanDerWaalsContact CG1-CG1 3.45Å; V940-I1103 WeakPolarHBondContact CG1-O 3.47Å; P941-I1103 WeakPolarHBondContact CD-O 3.32Å; L973-I1103 HydrophobicContact CD1-CG2 3.75Å; L1089-I1103 HydrophobicContact CD1-CB 3.91Å; L1089-I1103 HydrophobicContact CD1-CD1 4.45Å; L1089-I1103 HydrophobicContact CD1-CG2 3.65Å; V1094-I1103 HydrophobicContact CG1-CG2 4.37Å; V1094-I1103 HydrophobicContact CG2-CG2 4.14Å
1104	F	95.2	Very high	95.9	Very high	52 Å²	52	21.4 Å²	21.4	23%	0.228	13%	0.126	C	C	.	.			trans	-156	168.7	-173.1	56.9	-92.1	0	0	0	111.2	P941 M963 H1086 G1092 N1093 A1095 V1102	P941-F1104 HydrophobicContact CG-CB 3.96Å; M963-F1104 HydrophobicContact SD-CD1 4.41Å; M963-F1104 HydrophobicContact SD-CE1 4.38Å; H1086-F1104 PolarHBondContact CE1-O 3.22Å; H1086-F1104 PolarHBondContact NE2-O 3.13Å; H1086-F1104 VanDerWaalsContact NE2-O 3.11Å; G1092-F1104 WeakPolarHBondContact O-CE2 3.18Å; G1092-F1104 VanDerWaalsContact O-CZ 3.24Å; G1092-F1104 WeakPolarHBondContact O-CZ 3.37Å; N1093-F1104 VanDerWaalsContact CB-O 3.26Å; N1093-F1104 WeakPolarHBondContact CB-O 3.5Å; N1093-F1104 PolarHBondContact O-N 3.49Å; N1093-F1104 VanDerWaalsContact O-N 3.11Å; A1095-F1104 HydrophobicContact CB-CE1 3.81Å; V1102-F1104 HydrophobicContact CG1-CD1 4.47Å
1105	D	93.6	Very high	96	Very high	55 Å²	55	21 Å²	21	29%	0.294	12%	0.124	S	C	.	.	S	Bend	trans	59.2	52.9	-173.8	-142.5	-9.6	0	0	0	114.2	K911 H1086 N1093	K911-D1105 IonicContact NZ-OD1 3.68Å; K911-D1105 PolarHBondContact NZ-OD1 3.3Å; K911-D1105 IonicContact NZ-OD2 3.04Å; K911-D1105 PolarHBondContact NZ-OD2 3.2Å; H1086-D1105 PolarHBondContact CE1-O 2.83Å; N1093-D1105 PolarHBondContact ND2-O 3Å
1106	P	96.3	Very high	96	Very high	6 Å²	6	20.7 Å²	20.7	4%	0.039	12%	0.121	C	C	.	.			trans	-79.4	153.7	-177.1	34.1	-38	0	0	0	113.7	S928 L929 L932	S928-P1106 VanDerWaalsContact CB-CG 3.49Å; L929-P1106 HydrophobicContact CD2-CG 3.77Å; L929-P1106 HydrophobicContact CG-CG 3.64Å; L932-P1106 HydrophobicContact CD1-CB 3.61Å; L932-P1106 HydrophobicContact CD1-CG 3.93Å
1107	A	96.1	Very high	96	Very high	2 Å²	2	19.9 Å²	19.9	2%	0.017	12%	0.118	C	C	.	.			trans	-125.2	58.8	168.3	0	0	0	0	0	109.1	C1020 M1026 H1086 D1088	C1020-A1107 WeakPolarHBondContact O-CB 3.48Å; M1026-A1107 HydrophobicContact CE-CB 3.86Å; M1026-A1107 WeakPolarHBondContact CE-O 3.49Å; H1086-A1107 CarbonylContact O-C 3.57Å; H1086-A1107 PolarHBondContact O-N 3.04Å; D1088-A1107 HydrophobicContact CB-CB 4.3Å
1108	S	97.7	Very high	95.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.114	C	C	.	.			trans	-67.3	150.6	-163.6	-69.8	0	0	0	0	114.1	S928 T1019 L1085 H1086	S928-S1108 WeakPolarHBondContact OG-CB 3.21Å; S928-S1108 PolarHBondContact OG-N 2.98Å; T1019-S1108 VanDerWaalsContact CG2-O 3.29Å; T1019-S1108 WeakPolarHBondContact CG2-O 3.5Å; T1019-S1108 PolarHBondContact OG1-O 3.29Å; L1085-S1108 VanDerWaalsContact O-CA 3.31Å; L1085-S1108 WeakPolarHBondContact O-CA 3.43Å; L1085-S1108 WeakPolarHBondContact O-CB 3.48Å; L1085-S1108 PolarHBondContact O-OG 3.4Å; H1086-S1108 PolarHBondContact O-N 2.96Å
1109	F	98.1	Very high	95.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	165.8	166.1	62.5	-79.7	0	0	0	109.3	F1015 M1026 W1034 F1037 R1042 L1085 F1115	F1015-F1109 HydrophobicContact CB-CB 3.91Å; F1015-F1109 HydrophobicContact CG-CB 4.45Å; M1026-F1109 HydrophobicContact CE-CD1 4.33Å; W1034-F1109 AromaticContact CH2-CE2 4Å; W1034-F1109 HydrophobicContact CH2-CE2 4Å; W1034-F1109 AromaticContact CZ3-CE2 3.96Å; W1034-F1109 HydrophobicContact CZ3-CE2 3.96Å; F1037-F1109 AromaticContact CE1-CD2 3.92Å; F1037-F1109 HydrophobicContact CE1-CD2 3.92Å; F1037-F1109 AromaticContact CE1-CE2 3.93Å; F1037-F1109 HydrophobicContact CE1-CE2 3.93Å; F1037-F1109 HydrophobicContact CZ-CD2 4.25Å; R1042-F1109 VanDerWaalsContact NH2-CG 3.31Å; L1085-F1109 WeakPolarHBondContact CB-O 3.33Å; L1085-F1109 HydrophobicContact CD1-CD2 4.47Å; L1085-F1109 HydrophobicContact CD1-CE1 4.35Å; L1085-F1109 HydrophobicContact CD1-CE2 3.91Å; L1085-F1109 HydrophobicContact CD1-CZ 3.83Å; L1085-F1109 PolarHBondContact N-O 3.14Å; F1109-F1115 HydrophobicContact CE1-CD1 4.31Å; F1109-F1115 AromaticContact CE1-CE1 3.79Å; F1109-F1115 HydrophobicContact CE1-CE1 3.79Å; F1109-F1115 HydrophobicContact CE1-CZ 4.11Å; F1109-F1115 AromaticContact CZ-CD1 3.81Å; F1109-F1115 HydrophobicContact CZ-CD1 3.81Å; F1109-F1115 HydrophobicContact CZ-CD2 4.31Å; F1109-F1115 AromaticContact CZ-CE1 3.57Å; F1109-F1115 HydrophobicContact CZ-CE1 3.57Å; F1109-F1115 HydrophobicContact CZ-CE2 4.09Å; F1109-F1115 HydrophobicContact CZ-CG 4.18Å; F1109-F1115 AromaticContact CZ-CZ 3.72Å; F1109-F1115 HydrophobicContact CZ-CZ 3.72Å
1110	Y	98.5	Very high	95.6	Very high	13 Å²	13	8.2 Å²	8.2	5%	0.051	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	117.4	172	-74.3	-98.7	0	0	0	110.1	N984 V1010 F1013 G1014 F1015 W1030 P1082 C1083 L1084	N984-Y1110 HydrophobicContact CB-CE1 4.11Å; V1010-Y1110 HydrophobicContact CB-CD1 3.82Å; V1010-Y1110 HydrophobicContact CB-CD2 4.43Å; V1010-Y1110 HydrophobicContact CB-CE1 3.7Å; V1010-Y1110 HydrophobicContact CB-CE2 4.36Å; V1010-Y1110 HydrophobicContact CB-CG 4.19Å; V1010-Y1110 HydrophobicContact CG1-CD1 3.98Å; V1010-Y1110 HydrophobicContact CG1-CD2 4.14Å; V1010-Y1110 HydrophobicContact CG1-CE1 4.31Å; V1010-Y1110 HydrophobicContact CG1-CE2 4.49Å; V1010-Y1110 HydrophobicContact CG1-CG 3.88Å; V1010-Y1110 HydrophobicContact CG2-CD1 4.26Å; V1010-Y1110 HydrophobicContact CG2-CD2 4.25Å; V1010-Y1110 HydrophobicContact CG2-CE1 3.76Å; V1010-Y1110 HydrophobicContact CG2-CE2 3.78Å; V1010-Y1110 HydrophobicContact CG2-CG 4.48Å; V1010-Y1110 VanDerWaalsContact CG2-CZ 3.5Å; F1013-Y1110 WeakPolarHBondContact CA-O 3.35Å; G1014-Y1110 PolarHBondContact N-O 3.05Å; G1014-Y1110 VanDerWaalsContact N-O 3.08Å; G1014-Y1110 WeakPolarHBondContact O-CB 3.45Å; G1014-Y1110 PolarHBondContact O-N 3.3Å; F1015-Y1110 HydrophobicContact CD2-CD2 4.05Å; F1015-Y1110 HydrophobicContact CD2-CE2 4.24Å; F1015-Y1110 HydrophobicContact CE2-CD2 4.44Å; F1015-Y1110 HydrophobicContact CE2-CE2 4.21Å; W1030-Y1110 HydrophobicContact CH2-CD2 4.1Å; W1030-Y1110 HydrophobicContact CZ3-CD2 4.35Å; P1082-Y1110 HydrophobicContact CB-CD1 4.34Å; C1083-Y1110 CarbonylContact O-C 3.6Å; C1083-Y1110 VanDerWaalsContact O-CA 3.28Å; C1083-Y1110 WeakPolarHBondContact O-CA 3.45Å; L1084-Y1110 HydrophobicContact CB-CD1 4.49Å; L1084-Y1110 HydrophobicContact CB-CE1 4.06Å; L1084-Y1110 HydrophobicContact CD1-CD2 4.49Å; L1084-Y1110 HydrophobicContact CD1-CE2 4.08Å
1111	G	97.8	Very high	95.1	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	-172.8	-174.1	0	0	0	0	0	113.4	C1083	C1083-G1111 PolarHBondContact N-O 2.97Å; C1083-G1111 PolarHBondContact O-N 2.98Å; C1083-G1111 PolarHBondContact SG-O 2.76Å
1112	H	97.9	Very high	94.3	Very high	4 Å²	4	10.6 Å²	10.6	2%	0.019	6%	0.059	C	C	.	.			trans	-72.4	130.7	171.2	-175.1	-152.8	0	0	0	110.7	W1034 I1080 E1114 F1115 Y1151	W1034-H1112 HydrophobicContact CD2-CB 3.72Å; W1034-H1112 HydrophobicContact CE3-CB 4.34Å; W1034-H1112 HydrophobicContact CG-CB 4.1Å; W1034-H1112 HydrophobicContact CH2-CB 4.26Å; W1034-H1112 HydrophobicContact CZ2-CB 3.63Å; I1080-H1112 HydrophobicContact CG2-CB 3.74Å; H1112-E1114 VanDerWaalsContact CE1-CG 3.5Å; H1112-E1114 WeakPolarHBondContact CE1-CG 3.09Å; H1112-E1114 IonicContact CE1-OE1 2.77Å; H1112-E1114 IonicContact CE1-OE2 3.17Å; H1112-E1114 PolarHBondContact CE1-OE2 3.26Å; H1112-E1114 PolarHBondContact O-N 2.87Å; H1112-F1115 WeakPolarHBondContact O-CB 3.42Å; H1112-F1115 PolarHBondContact O-N 2.95Å; H1112-Y1151 AromaticContact ND1-CZ 3.81Å; H1112-Y1151 PolarHBondContact ND1-OH 2.8Å
1113	S	96.6	Very high	93.2	Very high	16 Å²	16	14.1 Å²	14.1	11%	0.112	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-52.3	-30.8	-179.2	66.8	0	0	0	0	114.8	H981 C1083 F1115	H981-S1113 PolarHBondContact CE1-O 2.66Å; C1083-S1113 WeakPolarHBondContact SG-CA 3.07Å; C1083-S1113 PolarHBondContact SG-N 3.33Å; C1083-S1113 VanDerWaalsContact SG-N 3.42Å; S1113-F1115 VanDerWaalsContact C-N 3.28Å; S1113-F1115 PolarHBondContact O-N 2.88Å
1114	E	96.5	Very high	91.7	Very high	9 Å²	9	18 Å²	18	4%	0.042	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-73.5	-16.6	179.2	-63.2	-179.3	-178.6	0	0	113.7	H1112 E1116 F1117 F1144 R1147 Y1151	H1112-E1114 VanDerWaalsContact CE1-CG 3.5Å; H1112-E1114 WeakPolarHBondContact CE1-CG 3.09Å; H1112-E1114 IonicContact CE1-OE1 2.77Å; H1112-E1114 IonicContact CE1-OE2 3.17Å; H1112-E1114 PolarHBondContact CE1-OE2 3.26Å; H1112-E1114 PolarHBondContact O-N 2.87Å; E1114-E1116 VanDerWaalsContact C-N 3.25Å; E1114-E1116 PolarHBondContact O-N 3.36Å; E1114-F1117 HydrophobicContact CB-CD2 4.36Å; E1114-F1117 WeakPolarHBondContact O-CB 3.5Å; E1114-F1117 PolarHBondContact O-N 3.04Å; E1114-F1117 VanDerWaalsContact O-N 3.12Å; E1114-F1144 HydrophobicContact CB-CE2 4.36Å; E1114-F1144 VanDerWaalsContact CD-CD2 3.41Å; E1114-F1144 HydrophobicContact CG-CD2 3.91Å; E1114-F1144 HydrophobicContact CG-CE2 3.89Å; E1114-F1144 WeakPolarHBondContact OE1-CD2 3.27Å; E1114-R1147 IonicContact OE1-CZ 2.79Å; E1114-R1147 IonicContact OE1-NE 2.88Å; E1114-R1147 IonicContact OE1-NH2 3.32Å; E1114-R1147 PolarHBondContact OE1-NH2 3.32Å; E1114-R1147 IonicContact OE2-CZ 3.75Å; E1114-R1147 IonicContact OE2-NE 2.67Å; E1114-R1147 PolarHBondContact OE2-NE 3.31Å; E1114-R1147 IonicContact OE2-NH2 3.86Å; E1114-R1147 PolarHBondContact OE2-NH2 3.31Å; E1114-R1147 VanDerWaalsContact OE2-NH2 3.15Å; E1114-Y1151 HydrophobicContact CB-CD2 4.27Å; E1114-Y1151 HydrophobicContact CB-CE2 3.66Å; E1114-Y1151 WeakPolarHBondContact O-CD2 3.43Å
1115	F	96.6	Very high	90.9	Very high	1 Å²	1	16.3 Å²	16.3	0%	0.004	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-57.4	-40.1	178.3	176.4	-85.1	0	0	0	111.8	W1034 F1038 L1085 F1109 H1112 S1113 F1117 G1118 Y1151 F1154	W1034-F1115 HydrophobicContact CH2-CB 4.15Å; W1034-F1115 AromaticContact CH2-CD2 3.99Å; W1034-F1115 HydrophobicContact CH2-CD2 3.99Å; W1034-F1115 HydrophobicContact CH2-CG 4.26Å; W1034-F1115 HydrophobicContact CZ2-CB 4.12Å; W1034-F1115 HydrophobicContact CZ2-CD2 4.1Å; W1034-F1115 HydrophobicContact CZ2-CG 4.48Å; F1038-F1115 HydrophobicContact CD2-CD2 4.02Å; F1038-F1115 HydrophobicContact CD2-CE2 4.08Å; F1038-F1115 AromaticContact CE2-CD2 3.85Å; F1038-F1115 HydrophobicContact CE2-CD2 3.85Å; F1038-F1115 AromaticContact CE2-CE2 3.77Å; F1038-F1115 HydrophobicContact CE2-CE2 3.77Å; L1085-F1115 HydrophobicContact CD1-CB 3.9Å; L1085-F1115 HydrophobicContact CD1-CD1 3.82Å; L1085-F1115 HydrophobicContact CD1-CG 4.11Å; F1109-F1115 HydrophobicContact CE1-CD1 4.31Å; F1109-F1115 AromaticContact CE1-CE1 3.79Å; F1109-F1115 HydrophobicContact CE1-CE1 3.79Å; F1109-F1115 HydrophobicContact CE1-CZ 4.11Å; F1109-F1115 AromaticContact CZ-CD1 3.81Å; F1109-F1115 HydrophobicContact CZ-CD1 3.81Å; F1109-F1115 HydrophobicContact CZ-CD2 4.31Å; F1109-F1115 AromaticContact CZ-CE1 3.57Å; F1109-F1115 HydrophobicContact CZ-CE1 3.57Å; F1109-F1115 HydrophobicContact CZ-CE2 4.09Å; F1109-F1115 HydrophobicContact CZ-CG 4.18Å; F1109-F1115 AromaticContact CZ-CZ 3.72Å; F1109-F1115 HydrophobicContact CZ-CZ 3.72Å; H1112-F1115 WeakPolarHBondContact O-CB 3.42Å; H1112-F1115 PolarHBondContact O-N 2.95Å; S1113-F1115 VanDerWaalsContact C-N 3.28Å; S1113-F1115 PolarHBondContact O-N 2.88Å; F1115-F1117 PolarHBondContact O-N 3.41Å; F1115-F1117 VanDerWaalsContact O-N 3.13Å; F1115-G1118 PolarHBondContact O-N 2.77Å; F1115-Y1151 HydrophobicContact CB-CD1 4.17Å; F1115-Y1151 HydrophobicContact CB-CE1 4.2Å; F1115-Y1151 HydrophobicContact CB-CG 4.46Å; F1115-Y1151 AromaticContact CD2-CD1 3.65Å; F1115-Y1151 HydrophobicContact CD2-CD1 3.65Å; F1115-Y1151 HydrophobicContact CD2-CE1 4.05Å; F1115-Y1151 HydrophobicContact CD2-CG 4.41Å; F1115-Y1151 HydrophobicContact CG-CD1 4.3Å; F1115-F1154 AromaticContact CE2-CD1 3.96Å; F1115-F1154 HydrophobicContact CE2-CD1 3.96Å; F1115-F1154 HydrophobicContact CE2-CE1 4.29Å; F1115-F1154 HydrophobicContact CE2-CG 4.31Å; F1115-F1154 AromaticContact CZ-CD1 3.67Å; F1115-F1154 HydrophobicContact CZ-CD1 3.67Å; F1115-F1154 AromaticContact CZ-CE1 3.62Å; F1115-F1154 HydrophobicContact CZ-CE1 3.62Å; F1115-F1154 HydrophobicContact CZ-CG 4.42Å; F1115-F1154 HydrophobicContact CZ-CZ 4.31Å
1116	E	94.5	Very high	90.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-56.8	-31.9	-179.8	-153.7	70.3	-106.9	0	0	111.8	L977 L1085 H1086 G1087 L1089 E1114 G1118 A1120	L977-E1116 HydrophobicContact CD2-CG 4.46Å; L1085-E1116 WeakPolarHBondContact CA-OE2 3.41Å; L1085-E1116 WeakPolarHBondContact CB-OE2 3.26Å; H1086-E1116 PolarHBondContact N-OE2 2.9Å; G1087-E1116 PolarHBondContact N-OE1 3.15Å; G1087-E1116 PolarHBondContact N-OE2 3.16Å; G1087-E1116 VanDerWaalsContact N-OE2 3.14Å; L1089-E1116 HydrophobicContact CB-CG 3.81Å; L1089-E1116 WeakPolarHBondContact CB-OE1 3.39Å; L1089-E1116 HydrophobicContact CD2-CG 3.83Å; L1089-E1116 HydrophobicContact CG-CG 4.49Å; L1089-E1116 PolarHBondContact N-OE1 2.96Å; E1114-E1116 VanDerWaalsContact C-N 3.25Å; E1114-E1116 PolarHBondContact O-N 3.36Å; E1116-G1118 PolarHBondContact O-N 3.32Å; E1116-A1120 WeakPolarHBondContact O-CB 3.47Å; E1116-A1120 PolarHBondContact O-N 3.02Å; E1116-A1120 VanDerWaalsContact O-N 3.11Å
1117	F	94.2	Very high	90.2	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.009	12%	0.116	C	C	.	.	H	α-helix	trans	-70.2	-19.8	178.7	-58.6	-49.3	0	0	0	114.1	E1114 F1115 S1121 F1130 Y1131 Y1134 Y1135 F1144 L1148	E1114-F1117 HydrophobicContact CB-CD2 4.36Å; E1114-F1117 WeakPolarHBondContact O-CB 3.5Å; E1114-F1117 PolarHBondContact O-N 3.04Å; E1114-F1117 VanDerWaalsContact O-N 3.12Å; F1115-F1117 PolarHBondContact O-N 3.41Å; F1115-F1117 VanDerWaalsContact O-N 3.13Å; F1117-S1121 WeakPolarHBondContact O-CB 3.42Å; F1117-S1121 PolarHBondContact O-N 2.9Å; F1117-S1121 PolarHBondContact O-OG 3.15Å; F1117-F1130 HydrophobicContact CE1-CE1 4.04Å; F1117-F1130 HydrophobicContact CE1-CZ 4.46Å; F1117-Y1131 HydrophobicContact CD1-CD1 4.35Å; F1117-Y1131 AromaticContact CD1-CE1 3.73Å; F1117-Y1131 HydrophobicContact CD1-CE1 3.73Å; F1117-Y1131 HydrophobicContact CE1-CD1 4.26Å; F1117-Y1131 HydrophobicContact CE1-CE1 4.04Å; F1117-Y1134 HydrophobicContact CE2-CD1 4.29Å; F1117-Y1134 AromaticContact CE2-CE1 3.76Å; F1117-Y1134 HydrophobicContact CE2-CE1 3.76Å; F1117-Y1134 AromaticContact CE2-CZ 3.97Å; F1117-Y1134 AromaticContact CZ-CD1 3.59Å; F1117-Y1134 HydrophobicContact CZ-CD1 3.59Å; F1117-Y1134 HydrophobicContact CZ-CD2 4.02Å; F1117-Y1134 AromaticContact CZ-CE1 3.39Å; F1117-Y1134 HydrophobicContact CZ-CE1 3.39Å; F1117-Y1134 AromaticContact CZ-CE2 3.82Å; F1117-Y1134 HydrophobicContact CZ-CE2 3.82Å; F1117-Y1134 AromaticContact CZ-CG 3.91Å; F1117-Y1134 HydrophobicContact CZ-CG 3.91Å; F1117-Y1134 AromaticContact CZ-CZ 3.5Å; F1117-Y1135 HydrophobicContact CE2-CE1 4.14Å; F1117-Y1135 HydrophobicContact CZ-CE1 4.29Å; F1117-F1144 AromaticContact CD2-CE2 3.77Å; F1117-F1144 HydrophobicContact CD2-CE2 3.77Å; F1117-F1144 AromaticContact CD2-CZ 3.89Å; F1117-F1144 HydrophobicContact CD2-CZ 3.89Å; F1117-F1144 HydrophobicContact CE2-CE2 4.22Å; F1117-F1144 HydrophobicContact CG-CZ 4.42Å; F1117-L1148 HydrophobicContact CB-CD1 3.6Å; F1117-L1148 WeakPolarHBondContact O-CD1 3.43Å
1118	G	91.3	Very high	90	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57.3	-52.7	175.7	0	0	0	0	0	111.5	F1115 E1116 S1121	F1115-G1118 PolarHBondContact O-N 2.77Å; E1116-G1118 PolarHBondContact O-N 3.32Å; G1118-S1121 PolarHBondContact O-OG 2.69Å
1119	I	91.6	Very high	89.8	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-80.5	-38.5	178.2	-164.9	80	0	0	0	111.7	W1090 S1121 I1122 F1123 N1155	W1090-I1119 HydrophobicContact CB-CD1 4.48Å; W1090-I1119 HydrophobicContact CB-CG1 3.64Å; I1119-S1121 PolarHBondContact O-N 3.4Å; I1119-S1121 VanDerWaalsContact O-N 3.15Å; I1119-I1122 HydrophobicContact CD1-CD1 3.76Å; I1119-I1122 HydrophobicContact CD1-CG1 4.04Å; I1119-I1122 HydrophobicContact CG1-CG1 4.46Å; I1119-I1122 WeakPolarHBondContact O-CG1 3.3Å; I1119-I1122 PolarHBondContact O-N 3.36Å; I1119-I1122 VanDerWaalsContact O-N 3.11Å; I1119-F1123 HydrophobicContact CD1-CD2 4.48Å; I1119-F1123 HydrophobicContact CD1-CE2 4.31Å; I1119-N1155 HydrophobicContact CD1-CB 3.78Å; I1119-N1155 VanDerWaalsContact CD1-CG 3.49Å; I1119-N1155 WeakPolarHBondContact CD1-OD1 3.46Å; I1119-N1155 PolarHBondContact N-ND2 3.4Å
1120	A	88.7	Confident	89.7	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.008	18%	0.176	C	C	.	.	H	α-helix	trans	-65.9	-18.6	-177.4	0	0	0	0	0	114.4	L1089 E1116 G1125 F1126 Y1131	L1089-A1120 WeakPolarHBondContact O-CA 3.22Å; L1089-A1120 WeakPolarHBondContact O-CB 3.2Å; E1116-A1120 WeakPolarHBondContact O-CB 3.47Å; E1116-A1120 PolarHBondContact O-N 3.02Å; E1116-A1120 VanDerWaalsContact O-N 3.11Å; A1120-G1125 WeakPolarHBondContact O-CA 3.12Å; A1120-F1126 HydrophobicContact CB-CD2 3.68Å; A1120-F1126 HydrophobicContact CB-CE2 3.4Å; A1120-F1126 PolarHBondContact O-N 3.18Å; A1120-Y1131 PolarHBondContact O-OH 3.44Å; A1120-Y1131 VanDerWaalsContact O-OH 3.13Å
1121	S	83.4	Confident	89.5	Confident	49 Å²	49	33.3 Å²	33.3	34%	0.343	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-9.4	177.1	63.2	0	0	0	0	113.9	F1117 G1118 I1119	F1117-S1121 WeakPolarHBondContact O-CB 3.42Å; F1117-S1121 PolarHBondContact O-N 2.9Å; F1117-S1121 PolarHBondContact O-OG 3.15Å; G1118-S1121 PolarHBondContact O-OG 2.69Å; I1119-S1121 PolarHBondContact O-N 3.4Å; I1119-S1121 VanDerWaalsContact O-N 3.15Å
1122	I	81.8	Confident	89.5	Confident	12 Å²	12	36.9 Å²	36.9	6%	0.062	20%	0.199	C	C	.	.	S	Bend	trans	-101.7	164.7	176.8	64.4	174.8	0	0	0	110.9	I1119 G1124 G1125 A1152 N1155	I1119-I1122 HydrophobicContact CD1-CD1 3.76Å; I1119-I1122 HydrophobicContact CD1-CG1 4.04Å; I1119-I1122 HydrophobicContact CG1-CG1 4.46Å; I1119-I1122 WeakPolarHBondContact O-CG1 3.3Å; I1119-I1122 PolarHBondContact O-N 3.36Å; I1119-I1122 VanDerWaalsContact O-N 3.11Å; I1122-G1124 PolarHBondContact O-N 2.78Å; I1122-G1125 PolarHBondContact O-N 3.08Å; I1122-A1152 HydrophobicContact CG2-CB 4.46Å; I1122-N1155 HydrophobicContact CD1-CB 3.6Å
1123	F	73	Confident	89.5	Confident	74 Å²	74	36.9 Å²	36.9	33%	0.325	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	52.1	178.5	-47.9	-54.6	0	0	0	115.1	S1091 I1119 G1125 H1159 Y1167	S1091-F1123 PolarHBondContact OG-O 2.82Å; I1119-F1123 HydrophobicContact CD1-CD2 4.48Å; I1119-F1123 HydrophobicContact CD1-CE2 4.31Å; F1123-G1125 VanDerWaalsContact C-N 3.3Å; F1123-G1125 PolarHBondContact O-N 2.99Å; F1123-H1159 AromaticContact CE2-CD2 3.67Å; F1123-H1159 AromaticContact CE2-CE1 3.43Å; F1123-H1159 VanDerWaalsContact CE2-CE1 3.43Å; F1123-H1159 WeakPolarHBondContact CE2-CE1 3.49Å; F1123-H1159 AromaticContact CE2-ND1 3.93Å; F1123-H1159 AromaticContact CE2-NE2 3.22Å; F1123-H1159 WeakPolarHBondContact CE2-NE2 3.46Å; F1123-H1159 AromaticContact CZ-CD2 3.55Å; F1123-H1159 AromaticContact CZ-CG 3.92Å; F1123-H1159 AromaticContact CZ-NE2 3.64Å; F1123-Y1167 AromaticContact CE1-CE1 3.83Å; F1123-Y1167 HydrophobicContact CE1-CE1 3.83Å; F1123-Y1167 HydrophobicContact CZ-CD1 4.49Å; F1123-Y1167 AromaticContact CZ-CE1 3.77Å; F1123-Y1167 HydrophobicContact CZ-CE1 3.77Å
1124	G	67.2	Low	89.6	Confident	80 Å²	80	36.2 Å²	36.2	83%	0.825	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.8	-23.3	175.7	0	0	0	0	0	114.3	I1122	I1122-G1124 PolarHBondContact O-N 2.78Å
1125	G	78	Confident	89.6	Confident	17 Å²	17	37.8 Å²	37.8	18%	0.175	20%	0.201	C	C	.	.			trans	57.6	-176.7	170.2	0	0	0	0	0	116.5	A1120 I1122 F1123	A1120-G1125 WeakPolarHBondContact O-CA 3.12Å; I1122-G1125 PolarHBondContact O-N 3.08Å; F1123-G1125 VanDerWaalsContact C-N 3.3Å; F1123-G1125 PolarHBondContact O-N 2.99Å
1126	F	88.3	Confident	89.6	Confident	25 Å²	25	43.9 Å²	43.9	11%	0.11	23%	0.23	C	C	.	.			trans	-92.5	156.2	170.9	-60.6	-58.8	0	0	0	111.9	L966 L1089 V1094 A1120 F1130 Y1131	L966-F1126 HydrophobicContact CD2-CD1 4.39Å; L1089-F1126 HydrophobicContact CD2-CE2 4.32Å; L1089-F1126 HydrophobicContact CG-CE2 4.26Å; L1089-F1126 HydrophobicContact CG-CZ 4.18Å; V1094-F1126 HydrophobicContact CB-CE1 4.2Å; V1094-F1126 HydrophobicContact CB-CZ 4.48Å; V1094-F1126 HydrophobicContact CG1-CE1 4.39Å; V1094-F1126 HydrophobicContact CG2-CE1 3.88Å; V1094-F1126 HydrophobicContact CG2-CZ 3.67Å; A1120-F1126 HydrophobicContact CB-CD2 3.68Å; A1120-F1126 HydrophobicContact CB-CE2 3.4Å; A1120-F1126 PolarHBondContact O-N 3.18Å; F1126-F1130 HydrophobicContact CB-CB 3.96Å; F1126-F1130 HydrophobicContact CB-CD1 3.61Å; F1126-F1130 HydrophobicContact CB-CE1 4.25Å; F1126-F1130 HydrophobicContact CB-CG 3.82Å; F1126-F1130 AromaticContact CD2-CD1 3.87Å; F1126-F1130 HydrophobicContact CD2-CD1 3.87Å; F1126-F1130 AromaticContact CD2-CE1 3.61Å; F1126-F1130 HydrophobicContact CD2-CE1 3.61Å; F1126-F1130 HydrophobicContact CD2-CE2 4.33Å; F1126-F1130 HydrophobicContact CD2-CG 4.34Å; F1126-F1130 AromaticContact CD2-CZ 3.85Å; F1126-F1130 HydrophobicContact CD2-CZ 3.85Å; F1126-F1130 HydrophobicContact CE2-CE1 4.38Å; F1126-F1130 HydrophobicContact CE2-CZ 4.21Å; F1126-F1130 AromaticContact CG-CD1 3.99Å; F1126-F1130 HydrophobicContact CG-CD1 3.99Å; F1126-F1130 HydrophobicContact CG-CD2 4.48Å; F1126-F1130 HydrophobicContact CG-CE1 4.2Å; F1126-F1130 HydrophobicContact CG-CG 4.13Å; F1126-Y1131 HydrophobicContact CB-CE2 3.96Å; F1126-Y1131 WeakPolarHBondContact O-CE2 3.36Å
1127	N	87.6	Confident	89.8	Confident	63 Å²	63	47.3 Å²	47.3	34%	0.337	25%	0.247	S	C	.	.			trans	-74.1	167.3	176.9	74.2	39.9	0	0	0	111.2	S970 Q1129 F1130 Y1131	S970-N1127 WeakPolarHBondContact CB-ND2 3.15Å; S970-N1127 PolarHBondContact OG-ND2 3.27Å; S970-N1127 PolarHBondContact OG-OD1 3.34Å; S970-N1127 VanDerWaalsContact OG-OD1 3.04Å; N1127-Q1129 PolarHBondContact O-N 2.9Å; N1127-Q1129 WeakPolarHBondContact OD1-CA 3.48Å; N1127-Q1129 VanDerWaalsContact OD1-CB 3.28Å; N1127-Q1129 WeakPolarHBondContact OD1-CB 3.48Å; N1127-Q1129 PolarHBondContact OD1-N 2.75Å; N1127-F1130 WeakPolarHBondContact O-CB 3.44Å; N1127-F1130 PolarHBondContact O-N 3.38Å; N1127-F1130 PolarHBondContact OD1-N 3.41Å; N1127-Y1131 WeakPolarHBondContact O-CD2 3.48Å
1128	R	90.9	Very high	89.9	Confident	193 Å²	193	48.6 Å²	48.6	73%	0.728	25%	0.254	S	S	*	.	H	α-helix	trans	-58.8	-32.3	-177.8	-176.1	178.9	171.6	172.4	3.9	113.9	F1130 Y1131 D1132	R1128-F1130 VanDerWaalsContact C-N 3.3Å; R1128-F1130 PolarHBondContact O-N 2.98Å; R1128-Y1131 PolarHBondContact O-N 3.3Å; R1128-D1132 WeakPolarHBondContact CG-OD2 3.49Å; R1128-D1132 IonicContact CZ-OD2 3.36Å; R1128-D1132 IonicContact NE-OD1 3.35Å; R1128-D1132 IonicContact NE-OD2 3.72Å; R1128-D1132 PolarHBondContact NE-OD2 3.43Å; R1128-D1132 WeakPolarHBondContact O-CB 3.47Å; R1128-D1132 PolarHBondContact O-N 3.15Å
1129	Q	94.2	Very high	90	Very high	114 Å²	114	52.9 Å²	52.9	53%	0.533	28%	0.282	S	S	.	.	H	α-helix	trans	-64.1	-36.3	-178	-58.2	178	-9.6	0	0	112	A971 N1127 A1133	A971-Q1129 HydrophobicContact CB-CB 4.29Å; N1127-Q1129 PolarHBondContact O-N 2.9Å; N1127-Q1129 WeakPolarHBondContact OD1-CA 3.48Å; N1127-Q1129 VanDerWaalsContact OD1-CB 3.28Å; N1127-Q1129 WeakPolarHBondContact OD1-CB 3.48Å; N1127-Q1129 PolarHBondContact OD1-N 2.75Å; Q1129-A1133 WeakPolarHBondContact O-CB 3.27Å; Q1129-A1133 PolarHBondContact O-N 3.27Å; Q1129-A1133 VanDerWaalsContact O-N 3.12Å
1130	F	95.8	Very high	90.1	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.8	-51	172.9	166.7	-91.4	0	0	0	111.4	S970 L973 L977 F1117 F1126 N1127 R1128 A1133 Y1134	S970-F1130 WeakPolarHBondContact O-CA 3.45Å; S970-F1130 WeakPolarHBondContact OG-CB 3.36Å; L973-F1130 HydrophobicContact CB-CD2 4.22Å; L973-F1130 HydrophobicContact CB-CE2 4.46Å; L973-F1130 HydrophobicContact CD2-CD2 4.14Å; L973-F1130 HydrophobicContact CD2-CE2 4.03Å; L973-F1130 HydrophobicContact CG-CD2 4.07Å; L973-F1130 HydrophobicContact CG-CE2 3.87Å; L977-F1130 HydrophobicContact CD2-CE2 4.06Å; L977-F1130 HydrophobicContact CD2-CZ 3.58Å; F1117-F1130 HydrophobicContact CE1-CE1 4.04Å; F1117-F1130 HydrophobicContact CE1-CZ 4.46Å; F1126-F1130 HydrophobicContact CB-CB 3.96Å; F1126-F1130 HydrophobicContact CB-CD1 3.61Å; F1126-F1130 HydrophobicContact CB-CE1 4.25Å; F1126-F1130 HydrophobicContact CB-CG 3.82Å; F1126-F1130 AromaticContact CD2-CD1 3.87Å; F1126-F1130 HydrophobicContact CD2-CD1 3.87Å; F1126-F1130 AromaticContact CD2-CE1 3.61Å; F1126-F1130 HydrophobicContact CD2-CE1 3.61Å; F1126-F1130 HydrophobicContact CD2-CE2 4.33Å; F1126-F1130 HydrophobicContact CD2-CG 4.34Å; F1126-F1130 AromaticContact CD2-CZ 3.85Å; F1126-F1130 HydrophobicContact CD2-CZ 3.85Å; F1126-F1130 HydrophobicContact CE2-CE1 4.38Å; F1126-F1130 HydrophobicContact CE2-CZ 4.21Å; F1126-F1130 AromaticContact CG-CD1 3.99Å; F1126-F1130 HydrophobicContact CG-CD1 3.99Å; F1126-F1130 HydrophobicContact CG-CD2 4.48Å; F1126-F1130 HydrophobicContact CG-CE1 4.2Å; F1126-F1130 HydrophobicContact CG-CG 4.13Å; N1127-F1130 WeakPolarHBondContact O-CB 3.44Å; N1127-F1130 PolarHBondContact O-N 3.38Å; N1127-F1130 PolarHBondContact OD1-N 3.41Å; R1128-F1130 VanDerWaalsContact C-N 3.3Å; R1128-F1130 PolarHBondContact O-N 2.98Å; F1130-A1133 PolarHBondContact O-N 3.01Å; F1130-Y1134 WeakPolarHBondContact O-CB 3.43Å; F1130-Y1134 PolarHBondContact O-N 3.37Å
1131	Y	94.8	Very high	90.4	Very high	39 Å²	39	61.7 Å²	61.7	15%	0.153	32%	0.317	C	S	.	.	H	α-helix	trans	-67	-46.6	-177.4	-70.8	-72.4	0	0	0	112.3	F1117 A1120 F1126 N1127 R1128 A1133 Y1134 Y1135	F1117-Y1131 HydrophobicContact CD1-CD1 4.35Å; F1117-Y1131 AromaticContact CD1-CE1 3.73Å; F1117-Y1131 HydrophobicContact CD1-CE1 3.73Å; F1117-Y1131 HydrophobicContact CE1-CD1 4.26Å; F1117-Y1131 HydrophobicContact CE1-CE1 4.04Å; A1120-Y1131 PolarHBondContact O-OH 3.44Å; A1120-Y1131 VanDerWaalsContact O-OH 3.13Å; F1126-Y1131 HydrophobicContact CB-CE2 3.96Å; F1126-Y1131 WeakPolarHBondContact O-CE2 3.36Å; N1127-Y1131 WeakPolarHBondContact O-CD2 3.48Å; R1128-Y1131 PolarHBondContact O-N 3.3Å; Y1131-A1133 VanDerWaalsContact C-N 3.28Å; Y1131-A1133 PolarHBondContact O-N 3.37Å; Y1131-Y1134 PolarHBondContact O-N 2.83Å; Y1131-Y1135 HydrophobicContact CD1-CE2 4.05Å; Y1131-Y1135 HydrophobicContact CG-CE2 4.36Å; Y1131-Y1135 WeakPolarHBondContact O-CB 3.34Å; Y1131-Y1135 WeakPolarHBondContact O-CD2 3.5Å; Y1131-Y1135 PolarHBondContact O-N 3.23Å
1132	D	96.8	Very high	90.9	Very high	75 Å²	75	63.4 Å²	63.4	40%	0.401	33%	0.327	S	S	.	.	H	α-helix	trans	-57.6	-44.9	178.5	-72.1	-8.1	0	0	0	110	R1128 Y1134 Y1135 E1136	R1128-D1132 WeakPolarHBondContact CG-OD2 3.49Å; R1128-D1132 IonicContact CZ-OD2 3.36Å; R1128-D1132 IonicContact NE-OD1 3.35Å; R1128-D1132 IonicContact NE-OD2 3.72Å; R1128-D1132 PolarHBondContact NE-OD2 3.43Å; R1128-D1132 WeakPolarHBondContact O-CB 3.47Å; R1128-D1132 PolarHBondContact O-N 3.15Å; D1132-Y1134 PolarHBondContact O-N 3.4Å; D1132-Y1135 PolarHBondContact O-N 2.86Å; D1132-E1136 WeakPolarHBondContact O-CG 3.41Å; D1132-E1136 PolarHBondContact O-N 3.33Å; D1132-E1136 VanDerWaalsContact O-N 3.1Å
1133	A	97.7	Very high	91.3	Very high	4 Å²	4	64.4 Å²	64.4	3%	0.033	34%	0.341	C	S	.	.	H	α-helix	trans	-70.4	-30.9	179.7	0	0	0	0	0	114.1	A971 K975 Q1129 F1130 Y1131	A971-A1133 HydrophobicContact CB-CB 3.88Å; A971-A1133 WeakPolarHBondContact O-CB 3.29Å; K975-A1133 HydrophobicContact CG-CB 4.04Å; Q1129-A1133 WeakPolarHBondContact O-CB 3.27Å; Q1129-A1133 PolarHBondContact O-N 3.27Å; Q1129-A1133 VanDerWaalsContact O-N 3.12Å; F1130-A1133 PolarHBondContact O-N 3.01Å; Y1131-A1133 VanDerWaalsContact C-N 3.28Å; Y1131-A1133 PolarHBondContact O-N 3.37Å
1134	Y	98.1	Very high	92.3	Very high	1 Å²	1	61 Å²	61	0%	0.004	33%	0.326	C	S	.	.	H	α-helix	trans	-68.5	-47.8	171.5	180	-78	0	0	0	110.9	G974 L977 A978 H981 F1117 F1130 Y1131 D1132 E1136 L1137 I1138	G974-Y1134 WeakPolarHBondContact O-CD2 3.39Å; L977-Y1134 HydrophobicContact CB-CD2 4.27Å; L977-Y1134 HydrophobicContact CB-CE2 4.44Å; L977-Y1134 HydrophobicContact CD2-CD2 4.26Å; L977-Y1134 HydrophobicContact CD2-CE2 4.23Å; L977-Y1134 HydrophobicContact CG-CD2 4.36Å; L977-Y1134 HydrophobicContact CG-CE2 4.15Å; A978-Y1134 HydrophobicContact CB-CD2 3.68Å; A978-Y1134 HydrophobicContact CB-CE2 3.86Å; A978-Y1134 HydrophobicContact CB-CG 4.15Å; H981-Y1134 AromaticContact ND1-CE2 3.5Å; H981-Y1134 AromaticContact ND1-CZ 3.59Å; H981-Y1134 PolarHBondContact ND1-OH 3.48Å; F1117-Y1134 HydrophobicContact CE2-CD1 4.29Å; F1117-Y1134 AromaticContact CE2-CE1 3.76Å; F1117-Y1134 HydrophobicContact CE2-CE1 3.76Å; F1117-Y1134 AromaticContact CE2-CZ 3.97Å; F1117-Y1134 AromaticContact CZ-CD1 3.59Å; F1117-Y1134 HydrophobicContact CZ-CD1 3.59Å; F1117-Y1134 HydrophobicContact CZ-CD2 4.02Å; F1117-Y1134 AromaticContact CZ-CE1 3.39Å; F1117-Y1134 HydrophobicContact CZ-CE1 3.39Å; F1117-Y1134 AromaticContact CZ-CE2 3.82Å; F1117-Y1134 HydrophobicContact CZ-CE2 3.82Å; F1117-Y1134 AromaticContact CZ-CG 3.91Å; F1117-Y1134 HydrophobicContact CZ-CG 3.91Å; F1117-Y1134 AromaticContact CZ-CZ 3.5Å; F1130-Y1134 WeakPolarHBondContact O-CB 3.43Å; F1130-Y1134 PolarHBondContact O-N 3.37Å; Y1131-Y1134 PolarHBondContact O-N 2.83Å; D1132-Y1134 PolarHBondContact O-N 3.4Å; Y1134-E1136 PolarHBondContact O-N 3.24Å; Y1134-L1137 PolarHBondContact O-N 3.46Å; Y1134-I1138 HydrophobicContact CD1-CB 4.39Å; Y1134-I1138 HydrophobicContact CE1-CB 3.71Å; Y1134-I1138 HydrophobicContact CE1-CD1 4.21Å; Y1134-I1138 HydrophobicContact CE1-CG1 4.47Å; Y1134-I1138 HydrophobicContact CE1-CG2 4.12Å; Y1134-I1138 HydrophobicContact CE2-CD1 4.34Å; Y1134-I1138 PolarHBondContact O-N 2.99Å; Y1134-I1138 WeakPolarHBondContact OH-CD1 3.23Å
1135	Y	97.4	Very high	93.5	Very high	43 Å²	43	62.3 Å²	62.3	17%	0.169	31%	0.31	C	S	.	.	H	α-helix	trans	-71.1	-17.2	-175.6	-63.3	-45.6	0	0	0	113.7	F1117 Y1131 D1132 L1137 I1138 K1140 F1144	F1117-Y1135 HydrophobicContact CE2-CE1 4.14Å; F1117-Y1135 HydrophobicContact CZ-CE1 4.29Å; Y1131-Y1135 HydrophobicContact CD1-CE2 4.05Å; Y1131-Y1135 HydrophobicContact CG-CE2 4.36Å; Y1131-Y1135 WeakPolarHBondContact O-CB 3.34Å; Y1131-Y1135 WeakPolarHBondContact O-CD2 3.5Å; Y1131-Y1135 PolarHBondContact O-N 3.23Å; D1132-Y1135 PolarHBondContact O-N 2.86Å; Y1135-L1137 PolarHBondContact O-N 2.91Å; Y1135-I1138 WeakPolarHBondContact CA-O 3.21Å; Y1135-I1138 WeakPolarHBondContact CD1-O 3.44Å; Y1135-K1140 HydrophobicContact CD1-CG 3.76Å; Y1135-K1140 HydrophobicContact CD2-CG 4.38Å; Y1135-K1140 HydrophobicContact CE1-CD 4.43Å; Y1135-K1140 HydrophobicContact CE1-CG 3.52Å; Y1135-K1140 HydrophobicContact CE2-CD 4.28Å; Y1135-K1140 HydrophobicContact CE2-CG 4.15Å; Y1135-K1140 HydrophobicContact CG-CG 4.23Å; Y1135-K1140 WeakPolarHBondContact OH-CE 3.26Å; Y1135-F1144 HydrophobicContact CE1-CE2 4.33Å; Y1135-F1144 HydrophobicContact CE1-CZ 4.49Å; Y1135-F1144 WeakPolarHBondContact OH-CZ 3.44Å
1136	E	97.5	Very high	94.1	Very high	129 Å²	129	65.2 Å²	65.2	60%	0.603	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-34.3	165.6	-79.9	176.1	-168.3	0	0	112.5	K975 D1132 Y1134	K975-E1136 WeakPolarHBondContact CE-OE2 3.42Å; K975-E1136 IonicContact NZ-OE2 3.73Å; K975-E1136 PolarHBondContact NZ-OE2 3.19Å; D1132-E1136 WeakPolarHBondContact O-CG 3.41Å; D1132-E1136 PolarHBondContact O-N 3.33Å; D1132-E1136 VanDerWaalsContact O-N 3.1Å; Y1134-E1136 PolarHBondContact O-N 3.24Å
1137	L	97	Very high	94.5	Very high	71 Å²	71	64 Å²	64	37%	0.372	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-38.4	-176.9	-65.7	177.7	0	0	0	112.7	K975 A978 R979 Y1134 Y1135	K975-L1137 HydrophobicContact CB-CD1 4.2Å; K975-L1137 HydrophobicContact CG-CD1 4.32Å; A978-L1137 HydrophobicContact CB-CB 3.79Å; A978-L1137 HydrophobicContact CB-CD1 3.91Å; A978-L1137 HydrophobicContact CB-CG 4.46Å; R979-L1137 HydrophobicContact CG-CD1 4.44Å; Y1134-L1137 PolarHBondContact O-N 3.46Å; Y1135-L1137 PolarHBondContact O-N 2.91Å
1138	I	96.1	Very high	94.8	Very high	30 Å²	30	63 Å²	63	15%	0.154	31%	0.307	C	S	.	.	S	Bend	trans	-125.9	90.4	176.9	-56.5	173	0	0	0	108.6	A978 H981 M982 Y1134 Y1135	A978-I1138 HydrophobicContact CB-CD1 4.02Å; A978-I1138 HydrophobicContact CB-CG1 4.2Å; A978-I1138 WeakPolarHBondContact O-CD1 3.08Å; H981-I1138 HydrophobicContact CB-CD1 3.78Å; M982-I1138 HydrophobicContact CG-CD1 3.88Å; M982-I1138 HydrophobicContact CG-CG1 3.98Å; M982-I1138 HydrophobicContact SD-CG1 4.09Å; Y1134-I1138 HydrophobicContact CD1-CB 4.39Å; Y1134-I1138 HydrophobicContact CE1-CB 3.71Å; Y1134-I1138 HydrophobicContact CE1-CD1 4.21Å; Y1134-I1138 HydrophobicContact CE1-CG1 4.47Å; Y1134-I1138 HydrophobicContact CE1-CG2 4.12Å; Y1134-I1138 HydrophobicContact CE2-CD1 4.34Å; Y1134-I1138 PolarHBondContact O-N 2.99Å; Y1134-I1138 WeakPolarHBondContact OH-CD1 3.23Å; Y1135-I1138 WeakPolarHBondContact CA-O 3.21Å; Y1135-I1138 WeakPolarHBondContact CD1-O 3.44Å
1139	P	94.9	Very high	94.9	Very high	89 Å²	89	59.1 Å²	59.1	58%	0.578	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-61.9	148.9	-179.7	-24.4	34.6	0	0	0	113.1	R1141	P1139-R1141 PolarHBondContact O-N 2.68Å
1140	K	94	Very high	94.9	Very high	96 Å²	96	53.7 Å²	53.7	42%	0.417	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-58.7	131.6	174.1	-70.5	-174.9	173.3	-171	0	111.1	Y1135 F1144 E1145	Y1135-K1140 HydrophobicContact CD1-CG 3.76Å; Y1135-K1140 HydrophobicContact CD2-CG 4.38Å; Y1135-K1140 HydrophobicContact CE1-CD 4.43Å; Y1135-K1140 HydrophobicContact CE1-CG 3.52Å; Y1135-K1140 HydrophobicContact CE2-CD 4.28Å; Y1135-K1140 HydrophobicContact CE2-CG 4.15Å; Y1135-K1140 HydrophobicContact CG-CG 4.23Å; Y1135-K1140 WeakPolarHBondContact OH-CE 3.26Å; K1140-F1144 HydrophobicContact CB-CB 4.28Å; K1140-F1144 HydrophobicContact CB-CD2 4.34Å; K1140-F1144 HydrophobicContact CB-CG 4.25Å; K1140-F1144 HydrophobicContact CD-CB 4.49Å; K1140-F1144 HydrophobicContact CD-CD1 3.77Å; K1140-F1144 HydrophobicContact CD-CD2 4.42Å; K1140-F1144 HydrophobicContact CD-CE1 4.1Å; K1140-F1144 HydrophobicContact CD-CG 3.97Å; K1140-F1144 HydrophobicContact CG-CD1 4.26Å; K1140-F1144 HydrophobicContact CG-CD2 4Å; K1140-F1144 HydrophobicContact CG-CE2 4.32Å; K1140-F1144 HydrophobicContact CG-CG 4.01Å; K1140-E1145 IonicContact NZ-OE1 3.08Å; K1140-E1145 PolarHBondContact NZ-OE1 2.67Å
1141	R	93.5	Very high	94.9	Very high	91 Å²	91	53.7 Å²	53.7	34%	0.343	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-88.8	151.4	175.5	-59.1	-171.3	-173.9	178.9	0.1	111.4	C1077 E1079 P1139 G1143 F1144 R1147	C1077-R1141 WeakPolarHBondContact O-CD 3.41Å; C1077-R1141 PolarHBondContact O-NH1 3.08Å; E1079-R1141 PolarHBondContact O-NH1 3Å; P1139-R1141 PolarHBondContact O-N 2.68Å; R1141-G1143 PolarHBondContact O-N 3.23Å; R1141-F1144 VanDerWaalsContact O-CB 3.3Å; R1141-F1144 WeakPolarHBondContact O-CB 3.41Å; R1141-F1144 PolarHBondContact O-N 3.22Å; R1141-R1147 PolarHBondContact O-NH2 3.27Å
1142	P	93.8	Very high	94.9	Very high	85 Å²	85	52.2 Å²	52.2	55%	0.552	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	133.8	177	-27.3	35.3	0	0	0	112.7	K1076 R1147	K1076-P1142 HydrophobicContact CB-CB 3.87Å; P1142-R1147 PolarHBondContact O-NH1 3.29Å; P1142-R1147 PolarHBondContact O-NH2 3.05Å
1143	G	91.4	Very high	94.9	Very high	33 Å²	33	48.6 Å²	48.6	34%	0.34	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	5.2	-176	0	0	0	0	0	115.4	R1141 E1145 K1146 R1147	R1141-G1143 PolarHBondContact O-N 3.23Å; G1143-E1145 VanDerWaalsContact C-N 3.28Å; G1143-E1145 PolarHBondContact O-N 3.07Å; G1143-K1146 PolarHBondContact O-N 3.28Å; G1143-R1147 VanDerWaalsContact C-NH1 3.32Å; G1143-R1147 PolarHBondContact O-N 2.69Å
1144	F	93.6	Very high	94.8	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.018	24%	0.243	C	C	.	.	H	α-helix	trans	-47	-48.1	179.3	175	-86.6	0	0	0	112.7	E1114 F1117 Y1135 K1140 R1141 K1146 R1147 L1148	E1114-F1144 HydrophobicContact CB-CE2 4.36Å; E1114-F1144 VanDerWaalsContact CD-CD2 3.41Å; E1114-F1144 HydrophobicContact CG-CD2 3.91Å; E1114-F1144 HydrophobicContact CG-CE2 3.89Å; E1114-F1144 WeakPolarHBondContact OE1-CD2 3.27Å; F1117-F1144 AromaticContact CD2-CE2 3.77Å; F1117-F1144 HydrophobicContact CD2-CE2 3.77Å; F1117-F1144 AromaticContact CD2-CZ 3.89Å; F1117-F1144 HydrophobicContact CD2-CZ 3.89Å; F1117-F1144 HydrophobicContact CE2-CE2 4.22Å; F1117-F1144 HydrophobicContact CG-CZ 4.42Å; Y1135-F1144 HydrophobicContact CE1-CE2 4.33Å; Y1135-F1144 HydrophobicContact CE1-CZ 4.49Å; Y1135-F1144 WeakPolarHBondContact OH-CZ 3.44Å; K1140-F1144 HydrophobicContact CB-CB 4.28Å; K1140-F1144 HydrophobicContact CB-CD2 4.34Å; K1140-F1144 HydrophobicContact CB-CG 4.25Å; K1140-F1144 HydrophobicContact CD-CB 4.49Å; K1140-F1144 HydrophobicContact CD-CD1 3.77Å; K1140-F1144 HydrophobicContact CD-CD2 4.42Å; K1140-F1144 HydrophobicContact CD-CE1 4.1Å; K1140-F1144 HydrophobicContact CD-CG 3.97Å; K1140-F1144 HydrophobicContact CG-CD1 4.26Å; K1140-F1144 HydrophobicContact CG-CD2 4Å; K1140-F1144 HydrophobicContact CG-CE2 4.32Å; K1140-F1144 HydrophobicContact CG-CG 4.01Å; R1141-F1144 VanDerWaalsContact O-CB 3.3Å; R1141-F1144 WeakPolarHBondContact O-CB 3.41Å; R1141-F1144 PolarHBondContact O-N 3.22Å; F1144-K1146 VanDerWaalsContact C-N 3.28Å; F1144-K1146 PolarHBondContact O-N 3.2Å; F1144-R1147 PolarHBondContact O-N 3.34Å; F1144-R1147 VanDerWaalsContact O-N 3.12Å; F1144-L1148 HydrophobicContact CE1-CB 4.35Å; F1144-L1148 HydrophobicContact CE1-CD2 3.98Å; F1144-L1148 WeakPolarHBondContact O-CB 3.4Å; F1144-L1148 PolarHBondContact O-N 3.29Å
1145	E	91.8	Very high	94.6	Very high	106 Å²	106	48.5 Å²	48.5	50%	0.495	24%	0.243	S	C	.	.	H	α-helix	trans	-65.3	-30.8	-175.6	-78.1	60.9	-153.8	0	0	112.4	K1140 G1143 R1149	K1140-E1145 IonicContact NZ-OE1 3.08Å; K1140-E1145 PolarHBondContact NZ-OE1 2.67Å; G1143-E1145 VanDerWaalsContact C-N 3.28Å; G1143-E1145 PolarHBondContact O-N 3.07Å; E1145-R1149 PolarHBondContact O-N 2.82Å
1146	K	91.9	Very high	94.5	Very high	79 Å²	79	48.3 Å²	48.3	34%	0.343	24%	0.242	S	C	.	.	H	α-helix	trans	-71.3	-43.8	173.2	-67.7	-171.3	171.5	-159.3	0	111.1	C1073 G1143 F1144 R1149 L1150 S1181	C1073-K1146 HydrophobicContact CB-CB 4.35Å; G1143-K1146 PolarHBondContact O-N 3.28Å; F1144-K1146 VanDerWaalsContact C-N 3.28Å; F1144-K1146 PolarHBondContact O-N 3.2Å; K1146-R1149 PolarHBondContact O-N 2.87Å; K1146-L1150 PolarHBondContact O-N 3.06Å; K1146-S1181 PolarHBondContact NZ-O 3.16Å
1147	R	94.9	Very high	94.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.3	-37.3	177.9	-66.1	-172.5	-62.4	-86	2.7	112.3	C1073 F1074 C1077 E1114 R1141 P1142 G1143 F1144 R1149 L1150 Y1151	C1073-R1147 HydrophobicContact CB-CG 4.33Å; C1073-R1147 VanDerWaalsContact O-CG 3.28Å; C1073-R1147 WeakPolarHBondContact O-CG 3.43Å; C1073-R1147 PolarHBondContact O-NH1 3.4Å; F1074-R1147 VanDerWaalsContact CD1-CD 3.41Å; F1074-R1147 HydrophobicContact CD1-CG 4.2Å; F1074-R1147 HydrophobicContact CE1-CG 3.97Å; F1074-R1147 HydrophobicContact CZ-CG 4.18Å; C1077-R1147 VanDerWaalsContact SG-CZ 3.5Å; E1114-R1147 IonicContact OE1-CZ 2.79Å; E1114-R1147 IonicContact OE1-NE 2.88Å; E1114-R1147 IonicContact OE1-NH2 3.32Å; E1114-R1147 PolarHBondContact OE1-NH2 3.32Å; E1114-R1147 IonicContact OE2-CZ 3.75Å; E1114-R1147 IonicContact OE2-NE 2.67Å; E1114-R1147 PolarHBondContact OE2-NE 3.31Å; E1114-R1147 IonicContact OE2-NH2 3.86Å; E1114-R1147 PolarHBondContact OE2-NH2 3.31Å; E1114-R1147 VanDerWaalsContact OE2-NH2 3.15Å; R1141-R1147 PolarHBondContact O-NH2 3.27Å; P1142-R1147 PolarHBondContact O-NH1 3.29Å; P1142-R1147 PolarHBondContact O-NH2 3.05Å; G1143-R1147 VanDerWaalsContact C-NH1 3.32Å; G1143-R1147 PolarHBondContact O-N 2.69Å; F1144-R1147 PolarHBondContact O-N 3.34Å; F1144-R1147 VanDerWaalsContact O-N 3.12Å; R1147-R1149 VanDerWaalsContact C-N 3.25Å; R1147-R1149 PolarHBondContact O-N 3.5Å; R1147-L1150 WeakPolarHBondContact O-CB 3.47Å; R1147-L1150 PolarHBondContact O-N 2.81Å; R1147-Y1151 HydrophobicContact CB-CD2 4.39Å; R1147-Y1151 HydrophobicContact CB-CE2 3.83Å; R1147-Y1151 WeakPolarHBondContact O-CD2 3.3Å; R1147-Y1151 PolarHBondContact O-N 3.12Å
1148	L	94	Very high	94.2	Very high	41 Å²	41	39 Å²	39	22%	0.215	20%	0.196	C	C	.	.	H	α-helix	trans	-57.1	-39.7	175.3	-175.7	63	0	0	0	111.8	F1117 F1144 Y1151 A1152	F1117-L1148 HydrophobicContact CB-CD1 3.6Å; F1117-L1148 WeakPolarHBondContact O-CD1 3.43Å; F1144-L1148 HydrophobicContact CE1-CB 4.35Å; F1144-L1148 HydrophobicContact CE1-CD2 3.98Å; F1144-L1148 WeakPolarHBondContact O-CB 3.4Å; F1144-L1148 PolarHBondContact O-N 3.29Å; L1148-Y1151 PolarHBondContact O-N 3.34Å; L1148-A1152 WeakPolarHBondContact O-CB 3.46Å; L1148-A1152 PolarHBondContact O-N 3.37Å
1149	R	93.7	Very high	94	Very high	112 Å²	112	38.8 Å²	38.8	42%	0.423	20%	0.195	S	C	.	.	H	α-helix	trans	-63.8	-40.7	174.2	-70.5	-174.3	174.1	178.8	-4.2	112.8	E1145 K1146 R1147 Y1151 A1152 L1153 E1174 A1177 I1178	E1145-R1149 PolarHBondContact O-N 2.82Å; K1146-R1149 PolarHBondContact O-N 2.87Å; R1147-R1149 VanDerWaalsContact C-N 3.25Å; R1147-R1149 PolarHBondContact O-N 3.5Å; R1149-Y1151 VanDerWaalsContact C-N 3.35Å; R1149-A1152 PolarHBondContact O-N 2.87Å; R1149-L1153 WeakPolarHBondContact O-CB 3.42Å; R1149-L1153 PolarHBondContact O-N 2.93Å; R1149-E1174 WeakPolarHBondContact CG-OE2 3.34Å; R1149-A1177 PolarHBondContact NH1-O 3.25Å; R1149-A1177 VanDerWaalsContact NH1-O 3.15Å; R1149-I1178 HydrophobicContact CB-CD1 4.41Å; R1149-I1178 HydrophobicContact CB-CG1 4.07Å
1150	L	95.2	Very high	93.9	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.3	-43.8	174.2	-74.2	169.7	0	0	0	111.6	F1038 L1043 M1066 I1070 C1073 F1074 K1146 R1147 L1153 F1154 I1178	F1038-L1150 HydrophobicContact CE1-CB 4.01Å; F1038-L1150 HydrophobicContact CZ-CB 4.3Å; L1043-L1150 HydrophobicContact CD1-CD2 4.24Å; M1066-L1150 HydrophobicContact SD-CD2 4.28Å; I1070-L1150 HydrophobicContact CD1-CD2 4.43Å; I1070-L1150 HydrophobicContact CG1-CD2 3.91Å; I1070-L1150 HydrophobicContact CG2-CD1 4.29Å; C1073-L1150 HydrophobicContact CB-CD1 3.61Å; F1074-L1150 HydrophobicContact CE2-CD1 3.87Å; F1074-L1150 HydrophobicContact CZ-CD1 4.41Å; K1146-L1150 PolarHBondContact O-N 3.06Å; R1147-L1150 WeakPolarHBondContact O-CB 3.47Å; R1147-L1150 PolarHBondContact O-N 2.81Å; L1150-L1153 WeakPolarHBondContact O-CB 3.34Å; L1150-L1153 PolarHBondContact O-N 2.87Å; L1150-F1154 PolarHBondContact O-N 3.22Å; L1150-I1178 HydrophobicContact CD2-CD1 3.71Å; L1150-I1178 HydrophobicContact CD2-CG1 4.35Å; L1150-I1178 HydrophobicContact CD2-CG2 4.2Å; L1150-I1178 HydrophobicContact CG-CD1 4.2Å
1151	Y	96	Very high	93.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-68.8	-35.8	177.7	-57.6	-43.7	0	0	0	112.7	W1034 F1038 F1074 H1112 E1114 F1115 R1147 L1148 R1149 N1155	W1034-Y1151 AromaticContact CZ2-CE1 3.71Å; W1034-Y1151 HydrophobicContact CZ2-CE1 3.71Å; W1034-Y1151 PolarHBondContact NE1-OH 3.47Å; W1034-Y1151 VanDerWaalsContact NE1-OH 3.08Å; F1038-Y1151 HydrophobicContact CD1-CE1 4.36Å; F1038-Y1151 HydrophobicContact CD2-CD1 4.24Å; F1038-Y1151 HydrophobicContact CD2-CE1 4.07Å; F1038-Y1151 HydrophobicContact CE1-CD1 4.2Å; F1038-Y1151 HydrophobicContact CE1-CE1 4.12Å; F1038-Y1151 AromaticContact CE2-CD1 3.57Å; F1038-Y1151 HydrophobicContact CE2-CD1 3.57Å; F1038-Y1151 AromaticContact CE2-CE1 3.85Å; F1038-Y1151 HydrophobicContact CE2-CE1 3.85Å; F1038-Y1151 HydrophobicContact CG-CE1 4.33Å; F1038-Y1151 AromaticContact CZ-CD1 3.54Å; F1038-Y1151 HydrophobicContact CZ-CD1 3.54Å; F1038-Y1151 AromaticContact CZ-CE1 3.87Å; F1038-Y1151 HydrophobicContact CZ-CE1 3.87Å; F1074-Y1151 WeakPolarHBondContact CE1-OH 3.43Å; H1112-Y1151 AromaticContact ND1-CZ 3.81Å; H1112-Y1151 PolarHBondContact ND1-OH 2.8Å; E1114-Y1151 HydrophobicContact CB-CD2 4.27Å; E1114-Y1151 HydrophobicContact CB-CE2 3.66Å; E1114-Y1151 WeakPolarHBondContact O-CD2 3.43Å; F1115-Y1151 HydrophobicContact CB-CD1 4.17Å; F1115-Y1151 HydrophobicContact CB-CE1 4.2Å; F1115-Y1151 HydrophobicContact CB-CG 4.46Å; F1115-Y1151 AromaticContact CD2-CD1 3.65Å; F1115-Y1151 HydrophobicContact CD2-CD1 3.65Å; F1115-Y1151 HydrophobicContact CD2-CE1 4.05Å; F1115-Y1151 HydrophobicContact CD2-CG 4.41Å; F1115-Y1151 HydrophobicContact CG-CD1 4.3Å; R1147-Y1151 HydrophobicContact CB-CD2 4.39Å; R1147-Y1151 HydrophobicContact CB-CE2 3.83Å; R1147-Y1151 WeakPolarHBondContact O-CD2 3.3Å; R1147-Y1151 PolarHBondContact O-N 3.12Å; L1148-Y1151 PolarHBondContact O-N 3.34Å; R1149-Y1151 VanDerWaalsContact C-N 3.35Å; Y1151-N1155 PolarHBondContact O-ND2 2.94Å
1152	A	94.2	Very high	93.5	Very high	7 Å²	7	28.9 Å²	28.9	6%	0.058	15%	0.147	C	C	.	.	H	α-helix	trans	-65.1	-40	171.7	0	0	0	0	0	111.8	I1122 L1148 R1149 F1154 N1155 Y1156	I1122-A1152 HydrophobicContact CG2-CB 4.46Å; L1148-A1152 WeakPolarHBondContact O-CB 3.46Å; L1148-A1152 PolarHBondContact O-N 3.37Å; R1149-A1152 PolarHBondContact O-N 2.87Å; A1152-F1154 PolarHBondContact O-N 2.8Å; A1152-N1155 PolarHBondContact O-N 2.86Å; A1152-Y1156 HydrophobicContact CB-CE2 4.21Å; A1152-Y1156 VanDerWaalsContact O-CD2 3.26Å; A1152-Y1156 WeakPolarHBondContact O-CD2 3.26Å; A1152-Y1156 PolarHBondContact O-N 3.29Å
1153	L	95.8	Very high	93.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57.8	-44.2	177.6	174.3	60.5	0	0	0	112.4	L1043 W1063 M1066 R1149 L1150 N1155 Y1156 L1157 T1171 E1174 V1175 I1178	L1043-L1153 HydrophobicContact CD2-CB 4.45Å; L1043-L1153 HydrophobicContact CD2-CD2 4.23Å; L1043-L1153 HydrophobicContact CD2-CG 4.08Å; W1063-L1153 HydrophobicContact CZ3-CD2 4.29Å; M1066-L1153 HydrophobicContact CE-CD2 4.03Å; M1066-L1153 HydrophobicContact CG-CD2 4.4Å; M1066-L1153 HydrophobicContact SD-CD2 4.04Å; R1149-L1153 WeakPolarHBondContact O-CB 3.42Å; R1149-L1153 PolarHBondContact O-N 2.93Å; L1150-L1153 WeakPolarHBondContact O-CB 3.34Å; L1150-L1153 PolarHBondContact O-N 2.87Å; L1153-N1155 PolarHBondContact O-N 2.65Å; L1153-Y1156 PolarHBondContact O-N 2.78Å; L1153-L1157 HydrophobicContact CD1-CD1 4.15Å; L1153-L1157 HydrophobicContact CD1-CG 4.19Å; L1153-L1157 HydrophobicContact CG-CD1 4.12Å; L1153-L1157 WeakPolarHBondContact O-CG 3.42Å; L1153-L1157 PolarHBondContact O-N 3.04Å; L1153-T1171 HydrophobicContact CD1-CG2 3.75Å; L1153-E1174 HydrophobicContact CB-CB 4.2Å; L1153-E1174 HydrophobicContact CD1-CB 4.23Å; L1153-V1175 HydrophobicContact CD1-CG2 3.68Å; L1153-V1175 HydrophobicContact CD2-CG2 3.88Å; L1153-V1175 HydrophobicContact CG-CG2 4.46Å; L1153-I1178 HydrophobicContact CB-CD1 4.39Å; L1153-I1178 HydrophobicContact CD2-CD1 3.84Å
1154	F	95.8	Very high	92.9	Very high	3 Å²	3	29.7 Å²	29.7	1%	0.013	14%	0.141	C	C	.	.	H	α-helix	trans	-52.3	-46.5	173.8	165.3	-98.9	0	0	0	111.5	M1026 F1038 R1042 L1043 Q1046 F1115 L1150 A1152 L1157 N1158	M1026-F1154 HydrophobicContact SD-CZ 4.24Å; F1038-F1154 HydrophobicContact CE2-CB 4.31Å; F1038-F1154 HydrophobicContact CZ-CB 4.49Å; R1042-F1154 HydrophobicContact CB-CD2 3.71Å; R1042-F1154 HydrophobicContact CB-CE2 3.84Å; R1042-F1154 HydrophobicContact CG-CE2 4.44Å; R1042-F1154 WeakPolarHBondContact O-CD2 3.46Å; L1043-F1154 HydrophobicContact CD2-CB 3.89Å; Q1046-F1154 HydrophobicContact CG-CD2 3.88Å; Q1046-F1154 HydrophobicContact CG-CE2 3.65Å; F1115-F1154 AromaticContact CE2-CD1 3.96Å; F1115-F1154 HydrophobicContact CE2-CD1 3.96Å; F1115-F1154 HydrophobicContact CE2-CE1 4.29Å; F1115-F1154 HydrophobicContact CE2-CG 4.31Å; F1115-F1154 AromaticContact CZ-CD1 3.67Å; F1115-F1154 HydrophobicContact CZ-CD1 3.67Å; F1115-F1154 AromaticContact CZ-CE1 3.62Å; F1115-F1154 HydrophobicContact CZ-CE1 3.62Å; F1115-F1154 HydrophobicContact CZ-CG 4.42Å; F1115-F1154 HydrophobicContact CZ-CZ 4.31Å; L1150-F1154 PolarHBondContact O-N 3.22Å; A1152-F1154 PolarHBondContact O-N 2.8Å; F1154-L1157 PolarHBondContact O-N 3.33Å; F1154-N1158 WeakPolarHBondContact O-CB 3.22Å; F1154-N1158 PolarHBondContact O-N 3.09Å
1155	N	94.1	Very high	92.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-70.9	-35.2	-177.2	-71.5	-66.3	0	0	0	112.9	I1119 I1122 Y1151 A1152 L1153 N1158 H1159	I1119-N1155 HydrophobicContact CD1-CB 3.78Å; I1119-N1155 VanDerWaalsContact CD1-CG 3.49Å; I1119-N1155 WeakPolarHBondContact CD1-OD1 3.46Å; I1119-N1155 PolarHBondContact N-ND2 3.4Å; I1122-N1155 HydrophobicContact CD1-CB 3.6Å; Y1151-N1155 PolarHBondContact O-ND2 2.94Å; A1152-N1155 PolarHBondContact O-N 2.86Å; L1153-N1155 PolarHBondContact O-N 2.65Å; N1155-N1158 PolarHBondContact O-N 2.95Å; N1155-H1159 WeakPolarHBondContact O-CB 3.28Å; N1155-H1159 PolarHBondContact O-N 3.32Å; N1155-H1159 PolarHBondContact O-ND1 3.36Å
1156	Y	94.9	Very high	92.3	Very high	38 Å²	38	32.7 Å²	32.7	15%	0.149	18%	0.179	C	C	.	.	H	α-helix	trans	-66	-41.1	173.2	-72.4	-55.6	0	0	0	112.7	A1152 L1153 H1159 W1160 Y1167 T1171 E1174	A1152-Y1156 HydrophobicContact CB-CE2 4.21Å; A1152-Y1156 VanDerWaalsContact O-CD2 3.26Å; A1152-Y1156 WeakPolarHBondContact O-CD2 3.26Å; A1152-Y1156 PolarHBondContact O-N 3.29Å; L1153-Y1156 PolarHBondContact O-N 2.78Å; Y1156-H1159 PolarHBondContact O-N 3.15Å; Y1156-W1160 PolarHBondContact O-N 2.91Å; Y1156-Y1167 HydrophobicContact CD1-CD1 4.33Å; Y1156-T1171 WeakPolarHBondContact CB-OG1 3.49Å; Y1156-E1174 HydrophobicContact CD2-CG 3.68Å; Y1156-E1174 HydrophobicContact CE2-CG 3.59Å
1157	L	95.6	Very high	92.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-44	173.4	-70.8	163.7	0	0	0	111.1	L1043 Q1046 V1050 L1059 W1063 L1153 F1154 H1159 W1160 N1161 T1171	L1043-L1157 HydrophobicContact CD2-CD1 4.26Å; Q1046-L1157 HydrophobicContact CB-CB 3.78Å; Q1046-L1157 HydrophobicContact CB-CD1 4.34Å; V1050-L1157 HydrophobicContact CG2-CD2 4.04Å; L1059-L1157 HydrophobicContact CD2-CD2 3.94Å; W1063-L1157 HydrophobicContact CH2-CD1 3.53Å; W1063-L1157 HydrophobicContact CZ3-CD1 3.82Å; L1153-L1157 HydrophobicContact CD1-CD1 4.15Å; L1153-L1157 HydrophobicContact CD1-CG 4.19Å; L1153-L1157 HydrophobicContact CG-CD1 4.12Å; L1153-L1157 WeakPolarHBondContact O-CG 3.42Å; L1153-L1157 PolarHBondContact O-N 3.04Å; F1154-L1157 PolarHBondContact O-N 3.33Å; L1157-H1159 PolarHBondContact O-N 3.26Å; L1157-W1160 WeakPolarHBondContact O-CB 3.1Å; L1157-W1160 PolarHBondContact O-N 3.49Å; L1157-N1161 PolarHBondContact O-N 2.94Å; L1157-N1161 PolarHBondContact O-ND2 3.3Å; L1157-T1171 HydrophobicContact CD2-CG2 3.5Å; L1157-T1171 HydrophobicContact CG-CG2 3.94Å
1158	N	93.3	Very high	92.1	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-59.9	-44.6	176.2	-176.3	71.3	0	0	0	111.9	C1021 Q1046 F1154 N1155 W1160 N1161 H1162	C1021-N1158 PolarHBondContact SG-ND2 3.37Å; Q1046-N1158 PolarHBondContact NE2-OD1 2.79Å; F1154-N1158 WeakPolarHBondContact O-CB 3.22Å; F1154-N1158 PolarHBondContact O-N 3.09Å; N1155-N1158 PolarHBondContact O-N 2.95Å; N1158-W1160 VanDerWaalsContact C-N 3.34Å; N1158-W1160 PolarHBondContact O-N 3.17Å; N1158-N1161 PolarHBondContact O-N 3.41Å; N1158-H1162 PolarHBondContact ND2-CD2 2.8Å; N1158-H1162 PolarHBondContact O-CD2 3.09Å; N1158-H1162 PolarHBondContact O-N 2.78Å
1159	H	91.2	Very high	92.1	Very high	27 Å²	27	37.9 Å²	37.9	13%	0.125	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-34.1	176	-79.5	65	0	0	0	112.7	F1123 N1155 Y1156 L1157 H1162 F1163 Y1167	F1123-H1159 AromaticContact CE2-CD2 3.67Å; F1123-H1159 AromaticContact CE2-CE1 3.43Å; F1123-H1159 VanDerWaalsContact CE2-CE1 3.43Å; F1123-H1159 WeakPolarHBondContact CE2-CE1 3.49Å; F1123-H1159 AromaticContact CE2-ND1 3.93Å; F1123-H1159 AromaticContact CE2-NE2 3.22Å; F1123-H1159 WeakPolarHBondContact CE2-NE2 3.46Å; F1123-H1159 AromaticContact CZ-CD2 3.55Å; F1123-H1159 AromaticContact CZ-CG 3.92Å; F1123-H1159 AromaticContact CZ-NE2 3.64Å; N1155-H1159 WeakPolarHBondContact O-CB 3.28Å; N1155-H1159 PolarHBondContact O-N 3.32Å; N1155-H1159 PolarHBondContact O-ND1 3.36Å; Y1156-H1159 PolarHBondContact O-N 3.15Å; L1157-H1159 PolarHBondContact O-N 3.26Å; H1159-H1162 PolarHBondContact O-N 3.01Å; H1159-F1163 HydrophobicContact CB-CD2 4.13Å; H1159-F1163 AromaticContact CD2-CD2 3.71Å; H1159-F1163 AromaticContact CD2-CE2 3.56Å; H1159-F1163 WeakPolarHBondContact O-CB 3.49Å; H1159-F1163 WeakPolarHBondContact O-CD2 3.2Å; H1159-F1163 PolarHBondContact O-N 2.84Å; H1159-Y1167 HydrophobicContact CB-CD1 3.56Å; H1159-Y1167 HydrophobicContact CB-CD2 3.84Å; H1159-Y1167 HydrophobicContact CB-CE1 3.68Å; H1159-Y1167 HydrophobicContact CB-CE2 3.99Å; H1159-Y1167 HydrophobicContact CB-CG 3.62Å; H1159-Y1167 AromaticContact CD2-CE1 3.87Å; H1159-Y1167 AromaticContact CD2-CZ 3.82Å; H1159-Y1167 WeakPolarHBondContact O-CD2 3.45Å
1160	W	93.8	Very high	92	Very high	10 Å²	10	34.1 Å²	34.1	4%	0.038	19%	0.189	C	C	.	.	H	α-helix	trans	-61.4	-46.9	171	-169.5	-14.1	0	0	0	110.3	V1050 A1054 D1056 L1059 Y1156 L1157 N1158 H1162 G1164 R1168 T1171	V1050-W1160 HydrophobicContact CG1-CD2 3.82Å; V1050-W1160 HydrophobicContact CG1-CE3 3.91Å; V1050-W1160 HydrophobicContact CG1-CH2 3.82Å; V1050-W1160 HydrophobicContact CG1-CZ2 3.73Å; V1050-W1160 HydrophobicContact CG1-CZ3 3.93Å; V1050-W1160 HydrophobicContact CG2-CB 4.38Å; V1050-W1160 HydrophobicContact CG2-CD2 4.22Å; V1050-W1160 HydrophobicContact CG2-CE3 4.37Å; V1050-W1160 HydrophobicContact CG2-CG 4.26Å; A1054-W1160 HydrophobicContact CB-CZ2 4.27Å; D1056-W1160 HydrophobicContact CB-CH2 3.7Å; D1056-W1160 HydrophobicContact CB-CZ2 4.07Å; L1059-W1160 HydrophobicContact CD2-CH2 4.34Å; L1059-W1160 HydrophobicContact CD2-CZ3 3.86Å; Y1156-W1160 PolarHBondContact O-N 2.91Å; L1157-W1160 WeakPolarHBondContact O-CB 3.1Å; L1157-W1160 PolarHBondContact O-N 3.49Å; N1158-W1160 VanDerWaalsContact C-N 3.34Å; N1158-W1160 PolarHBondContact O-N 3.17Å; W1160-H1162 VanDerWaalsContact C-N 3.27Å; W1160-H1162 PolarHBondContact O-N 3.34Å; W1160-G1164 VanDerWaalsContact CD1-C 3.47Å; W1160-G1164 VanDerWaalsContact CD1-O 3.31Å; W1160-G1164 VanDerWaalsContact O-CA 3.3Å; W1160-G1164 WeakPolarHBondContact O-CA 3.28Å; W1160-G1164 PolarHBondContact O-N 3.47Å; W1160-R1168 HydrophobicContact CD2-CB 4.29Å; W1160-R1168 HydrophobicContact CE3-CB 4.19Å; W1160-R1168 HydrophobicContact CH2-CB 3.79Å; W1160-R1168 HydrophobicContact CH2-CG 3.46Å; W1160-R1168 VanDerWaalsContact CH2-CG 3.46Å; W1160-R1168 HydrophobicContact CZ2-CB 3.87Å; W1160-R1168 HydrophobicContact CZ2-CG 3.86Å; W1160-R1168 HydrophobicContact CZ3-CB 3.94Å; W1160-R1168 HydrophobicContact CZ3-CG 3.86Å; W1160-T1171 HydrophobicContact CE3-CG2 4.13Å; W1160-T1171 HydrophobicContact CZ3-CG2 4.12Å
1161	N	92.7	Very high	92.1	Very high	29 Å²	29	34.1 Å²	34.1	16%	0.155	19%	0.189	C	C	.	.	H	α-helix	trans	-62.4	-31.6	178.1	-74	-39.8	0	0	0	113.4	I1024 Q1046 K1049 V1050 L1157 N1158	I1024-N1161 HydrophobicContact CD1-CB 3.54Å; Q1046-N1161 PolarHBondContact O-ND2 3.43Å; Q1046-N1161 PolarHBondContact OE1-ND2 2.76Å; K1049-N1161 WeakPolarHBondContact CB-OD1 3.33Å; V1050-N1161 WeakPolarHBondContact CA-OD1 3.19Å; V1050-N1161 WeakPolarHBondContact CG2-OD1 3.42Å; V1050-N1161 PolarHBondContact N-OD1 3.04Å; V1050-N1161 VanDerWaalsContact N-OD1 3.15Å; L1157-N1161 PolarHBondContact O-N 2.94Å; L1157-N1161 PolarHBondContact O-ND2 3.3Å; N1158-N1161 PolarHBondContact O-N 3.41Å
1162	H	86.5	Confident	92.1	Very high	29 Å²	29	34.4 Å²	34.4	13%	0.134	19%	0.191	C	C	.	.	H	α-helix	trans	-84.5	-41.7	177.9	-79.4	-61.9	0	0	0	114.6	C1021 F1023 I1024 N1158 H1159 W1160	C1021-H1162 PolarHBondContact O-CE1 3.29Å; C1021-H1162 VanDerWaalsContact O-CE1 3.29Å; C1021-H1162 PolarHBondContact O-NE2 3.38Å; F1023-H1162 AromaticContact CD1-CE1 3.7Å; F1023-H1162 AromaticContact CD1-ND1 3.53Å; F1023-H1162 AromaticContact CE1-CE1 3.72Å; F1023-H1162 AromaticContact CE1-ND1 3.11Å; F1023-H1162 WeakPolarHBondContact CE1-ND1 3.47Å; F1023-H1162 AromaticContact CG-CE1 3.97Å; F1023-H1162 AromaticContact CZ-CE1 3.99Å; F1023-H1162 AromaticContact CZ-ND1 3.45Å; F1023-H1162 WeakPolarHBondContact CZ-ND1 3.29Å; F1023-H1162 PolarHBondContact N-CE1 3.08Å; I1024-H1162 WeakPolarHBondContact CD1-NE2 3.47Å; I1024-H1162 VanDerWaalsContact CG1-CE1 3.48Å; I1024-H1162 WeakPolarHBondContact CG1-CE1 3.48Å; N1158-H1162 PolarHBondContact ND2-CD2 2.8Å; N1158-H1162 PolarHBondContact O-CD2 3.09Å; N1158-H1162 PolarHBondContact O-N 2.78Å; H1159-H1162 PolarHBondContact O-N 3.01Å; W1160-H1162 VanDerWaalsContact C-N 3.27Å; W1160-H1162 PolarHBondContact O-N 3.34Å
1163	F	85.3	Confident	92.1	Very high	105 Å²	105	41.9 Å²	41.9	46%	0.461	22%	0.217	S	C	.	.	H	α-helix	trans	-123.3	2	-163.6	-54.1	-63.9	0	0	0	113.6	H1159 Y1167	H1159-F1163 HydrophobicContact CB-CD2 4.13Å; H1159-F1163 AromaticContact CD2-CD2 3.71Å; H1159-F1163 AromaticContact CD2-CE2 3.56Å; H1159-F1163 WeakPolarHBondContact O-CB 3.49Å; H1159-F1163 WeakPolarHBondContact O-CD2 3.2Å; H1159-F1163 PolarHBondContact O-N 2.84Å; F1163-Y1167 HydrophobicContact CB-CD2 4.14Å; F1163-Y1167 HydrophobicContact CB-CE2 3.59Å; F1163-Y1167 AromaticContact CD2-CE2 3.98Å; F1163-Y1167 HydrophobicContact CD2-CE2 3.98Å; F1163-Y1167 HydrophobicContact CG-CE2 4.19Å
1164	G	86.5	Confident	92	Very high	30 Å²	30	43.3 Å²	43.3	31%	0.309	22%	0.224	S	C	.	.			trans	85.6	-164.6	173.8	0	0	0	0	0	115.1	W1160 A1166 Y1167	W1160-G1164 VanDerWaalsContact CD1-C 3.47Å; W1160-G1164 VanDerWaalsContact CD1-O 3.31Å; W1160-G1164 VanDerWaalsContact O-CA 3.3Å; W1160-G1164 WeakPolarHBondContact O-CA 3.28Å; W1160-G1164 PolarHBondContact O-N 3.47Å; G1164-A1166 PolarHBondContact O-N 3.02Å; G1164-Y1167 PolarHBondContact O-N 3.36Å
1165	S	85.2	Confident	92	Very high	90 Å²	90	43.2 Å²	43.2	63%	0.629	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-68.4	-5.2	-162.6	58.8	0	0	0	0	115.7	Y1167 R1168	S1165-Y1167 PolarHBondContact O-N 3.14Å; S1165-Y1167 VanDerWaalsContact O-N 3.11Å; S1165-R1168 WeakPolarHBondContact O-CB 3.37Å; S1165-R1168 PolarHBondContact O-N 3.38Å
1166	A	87.4	Confident	92.1	Very high	82 Å²	82	48 Å²	48	68%	0.678	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-56.7	-26.4	173.2	0	0	0	0	0	112.8	G1164	G1164-A1166 PolarHBondContact O-N 3.02Å
1167	Y	89.8	Confident	92	Very high	54 Å²	54	47.2 Å²	47.2	21%	0.212	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-93.4	-1.3	179.9	-63.3	-85.4	0	0	0	114.1	F1123 Y1156 H1159 F1163 G1164 S1165 S1170 T1171	F1123-Y1167 AromaticContact CE1-CE1 3.83Å; F1123-Y1167 HydrophobicContact CE1-CE1 3.83Å; F1123-Y1167 HydrophobicContact CZ-CD1 4.49Å; F1123-Y1167 AromaticContact CZ-CE1 3.77Å; F1123-Y1167 HydrophobicContact CZ-CE1 3.77Å; Y1156-Y1167 HydrophobicContact CD1-CD1 4.33Å; H1159-Y1167 HydrophobicContact CB-CD1 3.56Å; H1159-Y1167 HydrophobicContact CB-CD2 3.84Å; H1159-Y1167 HydrophobicContact CB-CE1 3.68Å; H1159-Y1167 HydrophobicContact CB-CE2 3.99Å; H1159-Y1167 HydrophobicContact CB-CG 3.62Å; H1159-Y1167 AromaticContact CD2-CE1 3.87Å; H1159-Y1167 AromaticContact CD2-CZ 3.82Å; H1159-Y1167 WeakPolarHBondContact O-CD2 3.45Å; F1163-Y1167 HydrophobicContact CB-CD2 4.14Å; F1163-Y1167 HydrophobicContact CB-CE2 3.59Å; F1163-Y1167 AromaticContact CD2-CE2 3.98Å; F1163-Y1167 HydrophobicContact CD2-CE2 3.98Å; F1163-Y1167 HydrophobicContact CG-CE2 4.19Å; G1164-Y1167 PolarHBondContact O-N 3.36Å; S1165-Y1167 PolarHBondContact O-N 3.14Å; S1165-Y1167 VanDerWaalsContact O-N 3.11Å; Y1167-S1170 PolarHBondContact O-N 3.48Å; Y1167-T1171 WeakPolarHBondContact O-CB 3.36Å; Y1167-T1171 PolarHBondContact O-N 3.18Å; Y1167-T1171 PolarHBondContact O-OG1 2.99Å
1168	R	94.2	Very high	91.9	Very high	63 Å²	63	47.3 Å²	47.3	24%	0.238	25%	0.246	C	C	.	.	H	α-helix	trans	-59.4	-49.8	-179.8	175.4	178.8	-172.5	-71.9	-8	112.7	D1056 W1160 S1165 S1170 T1171 L1172	D1056-R1168 IonicContact OD1-NH2 2.78Å; D1056-R1168 PolarHBondContact OD1-NH2 3.26Å; D1056-R1168 IonicContact OD2-CZ 3.95Å; D1056-R1168 IonicContact OD2-NE 3.55Å; D1056-R1168 PolarHBondContact OD2-NE 2.71Å; D1056-R1168 IonicContact OD2-NH2 2.71Å; D1056-R1168 PolarHBondContact OD2-NH2 3.27Å; W1160-R1168 HydrophobicContact CD2-CB 4.29Å; W1160-R1168 HydrophobicContact CE3-CB 4.19Å; W1160-R1168 HydrophobicContact CH2-CB 3.79Å; W1160-R1168 HydrophobicContact CH2-CG 3.46Å; W1160-R1168 VanDerWaalsContact CH2-CG 3.46Å; W1160-R1168 HydrophobicContact CZ2-CB 3.87Å; W1160-R1168 HydrophobicContact CZ2-CG 3.86Å; W1160-R1168 HydrophobicContact CZ3-CB 3.94Å; W1160-R1168 HydrophobicContact CZ3-CG 3.86Å; S1165-R1168 WeakPolarHBondContact O-CB 3.37Å; S1165-R1168 PolarHBondContact O-N 3.38Å; R1168-S1170 VanDerWaalsContact C-N 3.35Å; R1168-S1170 PolarHBondContact O-N 3.37Å; R1168-T1171 WeakPolarHBondContact O-CB 3.29Å; R1168-T1171 PolarHBondContact O-N 3.18Å; R1168-L1172 HydrophobicContact CG-CD1 4.11Å; R1168-L1172 VanDerWaalsContact NH1-CD1 3.31Å; R1168-L1172 WeakPolarHBondContact O-CG 3.43Å; R1168-L1172 PolarHBondContact O-N 3.48Å
1169	E	92.5	Very high	91.9	Very high	113 Å²	113	47.8 Å²	47.8	53%	0.528	25%	0.249	S	C	.	.	H	α-helix	trans	-66.6	-37.7	-176.2	-70.2	-55.7	126.4	0	0	112.1	R1173	E1169-R1173 VanDerWaalsContact O-CB 3.3Å; E1169-R1173 WeakPolarHBondContact O-CB 3.29Å; E1169-R1173 PolarHBondContact O-N 2.96Å
1170	S	92.7	Very high	91.8	Very high	32 Å²	32	52.9 Å²	52.9	22%	0.224	28%	0.277	C	S	.	.	H	α-helix	trans	-64.5	-43.4	173.3	-58	0	0	0	0	111.4	Y1167 R1168 R1173 E1174	Y1167-S1170 PolarHBondContact O-N 3.48Å; R1168-S1170 VanDerWaalsContact C-N 3.35Å; R1168-S1170 PolarHBondContact O-N 3.37Å; S1170-R1173 WeakPolarHBondContact O-CB 3.46Å; S1170-R1173 PolarHBondContact O-N 3.31Å; S1170-E1174 PolarHBondContact O-N 3.39Å; S1170-E1174 VanDerWaalsContact O-N 3.08Å
1171	T	95.8	Very high	91.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58	-52.4	175.4	-58.7	0	0	0	0	111.2	L1059 L1153 Y1156 L1157 W1160 Y1167 R1168 R1173 E1174 V1175	L1059-T1171 HydrophobicContact CD1-CG2 4.15Å; L1059-T1171 HydrophobicContact CD2-CG2 4.44Å; L1153-T1171 HydrophobicContact CD1-CG2 3.75Å; Y1156-T1171 WeakPolarHBondContact CB-OG1 3.49Å; L1157-T1171 HydrophobicContact CD2-CG2 3.5Å; L1157-T1171 HydrophobicContact CG-CG2 3.94Å; W1160-T1171 HydrophobicContact CE3-CG2 4.13Å; W1160-T1171 HydrophobicContact CZ3-CG2 4.12Å; Y1167-T1171 WeakPolarHBondContact O-CB 3.36Å; Y1167-T1171 PolarHBondContact O-N 3.18Å; Y1167-T1171 PolarHBondContact O-OG1 2.99Å; R1168-T1171 WeakPolarHBondContact O-CB 3.29Å; R1168-T1171 PolarHBondContact O-N 3.18Å; T1171-R1173 VanDerWaalsContact C-N 3.27Å; T1171-R1173 PolarHBondContact O-N 3.08Å; T1171-E1174 PolarHBondContact O-N 2.98Å; T1171-V1175 WeakPolarHBondContact O-CG2 3.39Å; T1171-V1175 PolarHBondContact O-N 3.05Å
1172	L	96.5	Very high	91.1	Very high	7 Å²	7	55.8 Å²	55.8	4%	0.037	30%	0.296	C	S	.	.	H	α-helix	trans	-64.3	-32.3	-179.2	-70.1	177.9	0	0	0	112.7	K1058 L1059 L1062 R1168 K1176	K1058-L1172 HydrophobicContact CB-CD1 4.48Å; K1058-L1172 HydrophobicContact CB-CD2 4.45Å; K1058-L1172 HydrophobicContact CG-CD1 4.44Å; K1058-L1172 HydrophobicContact CG-CD2 4.34Å; L1059-L1172 HydrophobicContact CB-CD2 4.04Å; L1059-L1172 HydrophobicContact CD1-CD2 4.19Å; L1062-L1172 HydrophobicContact CD1-CD2 4.43Å; R1168-L1172 HydrophobicContact CG-CD1 4.11Å; R1168-L1172 VanDerWaalsContact NH1-CD1 3.31Å; R1168-L1172 WeakPolarHBondContact O-CG 3.43Å; R1168-L1172 PolarHBondContact O-N 3.48Å; L1172-K1176 WeakPolarHBondContact O-CG 3.28Å; L1172-K1176 PolarHBondContact O-N 2.89Å
1173	R	94.9	Very high	91.4	Very high	163 Å²	163	57.2 Å²	57.2	62%	0.615	31%	0.305	S	S	*	.	H	α-helix	trans	-64.1	-49.3	174.9	-172.6	-173.5	-55.8	176.9	3.6	111.2	E1169 S1170 T1171 K1176 A1177	E1169-R1173 VanDerWaalsContact O-CB 3.3Å; E1169-R1173 WeakPolarHBondContact O-CB 3.29Å; E1169-R1173 PolarHBondContact O-N 2.96Å; S1170-R1173 WeakPolarHBondContact O-CB 3.46Å; S1170-R1173 PolarHBondContact O-N 3.31Å; T1171-R1173 VanDerWaalsContact C-N 3.27Å; T1171-R1173 PolarHBondContact O-N 3.08Å; R1173-K1176 PolarHBondContact O-N 3.11Å; R1173-A1177 WeakPolarHBondContact O-CB 3.48Å; R1173-A1177 PolarHBondContact O-N 3.14Å
1174	E	93.8	Very high	91.7	Very high	31 Å²	31	54.5 Å²	54.5	15%	0.145	30%	0.296	C	S	.	.	H	α-helix	trans	-63.5	-43.6	177.8	-67	-50.5	138.7	0	0	111.6	R1149 L1153 Y1156 S1170 T1171 K1176 A1177 I1178	R1149-E1174 WeakPolarHBondContact CG-OE2 3.34Å; L1153-E1174 HydrophobicContact CB-CB 4.2Å; L1153-E1174 HydrophobicContact CD1-CB 4.23Å; Y1156-E1174 HydrophobicContact CD2-CG 3.68Å; Y1156-E1174 HydrophobicContact CE2-CG 3.59Å; S1170-E1174 PolarHBondContact O-N 3.39Å; S1170-E1174 VanDerWaalsContact O-N 3.08Å; T1171-E1174 PolarHBondContact O-N 2.98Å; E1174-K1176 PolarHBondContact O-N 2.88Å; E1174-A1177 PolarHBondContact O-N 3.02Å; E1174-I1178 WeakPolarHBondContact O-CD1 3.42Å; E1174-I1178 VanDerWaalsContact O-CG1 3.28Å; E1174-I1178 WeakPolarHBondContact O-CG1 3.47Å; E1174-I1178 PolarHBondContact O-N 2.65Å
1175	V	96.5	Very high	92	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-55.6	-50.5	176.4	168.8	0	0	0	0	111.4	L1059 L1062 W1063 M1066 L1153 T1171 A1177 I1178 I1179	L1059-V1175 HydrophobicContact CD1-CG2 3.93Å; L1062-V1175 HydrophobicContact CB-CG1 3.74Å; L1062-V1175 HydrophobicContact CD1-CG1 4.26Å; W1063-V1175 HydrophobicContact CZ3-CG2 4.42Å; M1066-V1175 HydrophobicContact CB-CG1 4.06Å; M1066-V1175 HydrophobicContact CG-CG1 4.21Å; L1153-V1175 HydrophobicContact CD1-CG2 3.68Å; L1153-V1175 HydrophobicContact CD2-CG2 3.88Å; L1153-V1175 HydrophobicContact CG-CG2 4.46Å; T1171-V1175 WeakPolarHBondContact O-CG2 3.39Å; T1171-V1175 PolarHBondContact O-N 3.05Å; V1175-A1177 PolarHBondContact O-N 2.83Å; V1175-I1178 PolarHBondContact O-N 3.42Å; V1175-I1179 HydrophobicContact CG1-CD1 3.87Å; V1175-I1179 VanDerWaalsContact O-CG1 3.29Å; V1175-I1179 WeakPolarHBondContact O-CG1 3.37Å; V1175-I1179 PolarHBondContact O-N 3.21Å; V1175-I1179 VanDerWaalsContact O-N 3.08Å
1176	K	95.1	Very high	92.4	Very high	101 Å²	101	53.8 Å²	53.8	44%	0.439	28%	0.275	S	S	.	.	H	α-helix	trans	-62.1	-44.5	177	-73.8	176.5	-177.1	175.7	0	111.6	L1062 L1172 R1173 E1174 I1178 I1179 D1180	L1062-K1176 HydrophobicContact CD1-CG 4Å; L1172-K1176 WeakPolarHBondContact O-CG 3.28Å; L1172-K1176 PolarHBondContact O-N 2.89Å; R1173-K1176 PolarHBondContact O-N 3.11Å; E1174-K1176 PolarHBondContact O-N 2.88Å; K1176-I1178 PolarHBondContact O-N 3.17Å; K1176-I1179 PolarHBondContact O-N 2.77Å; K1176-I1179 VanDerWaalsContact O-N 3.11Å; K1176-D1180 WeakPolarHBondContact O-CB 3.49Å; K1176-D1180 PolarHBondContact O-N 3.43Å
1177	A	92.7	Very high	92.8	Very high	21 Å²	21	51.9 Å²	51.9	17%	0.174	25%	0.248	C	C	.	.	H	α-helix	trans	-65.9	-24.7	-177.6	0	0	0	0	0	113.3	R1149 R1173 E1174 V1175 S1181	R1149-A1177 PolarHBondContact NH1-O 3.25Å; R1149-A1177 VanDerWaalsContact NH1-O 3.15Å; R1173-A1177 WeakPolarHBondContact O-CB 3.48Å; R1173-A1177 PolarHBondContact O-N 3.14Å; E1174-A1177 PolarHBondContact O-N 3.02Å; V1175-A1177 PolarHBondContact O-N 2.83Å; A1177-S1181 WeakPolarHBondContact O-CB 3.29Å
1178	I	93.6	Very high	93	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-77	-45.5	170.5	-68.9	156.4	0	0	0	110.6	M1066 K1069 R1149 L1150 L1153 E1174 V1175 K1176 D1180 S1181	M1066-I1178 HydrophobicContact CG-CB 4.48Å; M1066-I1178 HydrophobicContact CG-CG2 4.16Å; K1069-I1178 HydrophobicContact CB-CG2 4.16Å; R1149-I1178 HydrophobicContact CB-CD1 4.41Å; R1149-I1178 HydrophobicContact CB-CG1 4.07Å; L1150-I1178 HydrophobicContact CD2-CD1 3.71Å; L1150-I1178 HydrophobicContact CD2-CG1 4.35Å; L1150-I1178 HydrophobicContact CD2-CG2 4.2Å; L1150-I1178 HydrophobicContact CG-CD1 4.2Å; L1153-I1178 HydrophobicContact CB-CD1 4.39Å; L1153-I1178 HydrophobicContact CD2-CD1 3.84Å; E1174-I1178 WeakPolarHBondContact O-CD1 3.42Å; E1174-I1178 VanDerWaalsContact O-CG1 3.28Å; E1174-I1178 WeakPolarHBondContact O-CG1 3.47Å; E1174-I1178 PolarHBondContact O-N 2.65Å; V1175-I1178 PolarHBondContact O-N 3.42Å; K1176-I1178 PolarHBondContact O-N 3.17Å; I1178-D1180 VanDerWaalsContact C-N 3.29Å; I1178-D1180 PolarHBondContact O-N 3.4Å; I1178-S1181 PolarHBondContact O-N 3.24Å; I1178-S1181 VanDerWaalsContact O-N 3.17Å; I1178-S1181 PolarHBondContact O-OG 3.1Å
1179	I	93.2	Very high	92.9	Very high	14 Å²	14	50.9 Å²	50.9	7%	0.072	25%	0.251	C	S	.	.	H	α-helix	trans	-59.2	-42	178.4	-68.9	166.4	0	0	0	111.5	L1062 R1065 M1066 K1069 V1175 K1176 S1181	L1062-I1179 HydrophobicContact CB-CD1 4.11Å; L1062-I1179 HydrophobicContact CD2-CD1 4.23Å; R1065-I1179 HydrophobicContact CB-CD1 4.06Å; R1065-I1179 HydrophobicContact CB-CG1 4.32Å; M1066-I1179 HydrophobicContact CB-CD1 4.2Å; M1066-I1179 HydrophobicContact CB-CG1 4.08Å; K1069-I1179 VanDerWaalsContact CE-O 3.29Å; K1069-I1179 WeakPolarHBondContact CE-O 3.33Å; K1069-I1179 PolarHBondContact NZ-O 3.39Å; V1175-I1179 HydrophobicContact CG1-CD1 3.87Å; V1175-I1179 VanDerWaalsContact O-CG1 3.29Å; V1175-I1179 WeakPolarHBondContact O-CG1 3.37Å; V1175-I1179 PolarHBondContact O-N 3.21Å; V1175-I1179 VanDerWaalsContact O-N 3.08Å; K1176-I1179 PolarHBondContact O-N 2.77Å; K1176-I1179 VanDerWaalsContact O-N 3.11Å; I1179-S1181 VanDerWaalsContact C-N 3.25Å; I1179-S1181 PolarHBondContact O-N 3.09Å
1180	D	89.5	Confident	92.9	Very high	134 Å²	134	45.8 Å²	45.8	72%	0.717	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-9.9	-177.7	-63.6	-21.6	0	0	0	113	K1176 I1178	K1176-D1180 WeakPolarHBondContact O-CB 3.49Å; K1176-D1180 PolarHBondContact O-N 3.43Å; I1178-D1180 VanDerWaalsContact C-N 3.29Å; I1178-D1180 PolarHBondContact O-N 3.4Å
1181	S	81.2	Confident	93	Very high	44 Å²	44	47 Å²	47	31%	0.308	23%	0.229	S	C	.	.			trans	-88.7	0	177.5	81.7	0	0	0	0	113.3	K1069 K1146 A1177 I1178 I1179	K1069-S1181 PolarHBondContact NZ-OXT 3.42Å; K1146-S1181 PolarHBondContact NZ-O 3.16Å; A1177-S1181 WeakPolarHBondContact O-CB 3.29Å; I1178-S1181 PolarHBondContact O-N 3.24Å; I1178-S1181 VanDerWaalsContact O-N 3.17Å; I1178-S1181 PolarHBondContact O-OG 3.1Å; I1179-S1181 VanDerWaalsContact C-N 3.25Å; I1179-S1181 PolarHBondContact O-N 3.09Å

Retrieved 1,181 of 1,181 residues in 3692.5 ms (Link to these results)

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