A0A5K4F1X8_SCHMA Loading...

Nostrin AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F1X8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,102 aa.

						>A0A5K4F1X8_SCHMA|A0A5K4F1X8
MFLNTNRPCDILNRSGFDKQYEEYKQGIYLTQCVMNVFQEKCELQSNYSRSLSRLSGRLRDALAKTTGGTVHTAWLRIAKALEMESKLHEKIVQNLLNDLIKPLNNLIETFKRDKKSLKKCVDKETSNLFSLYEMEFHARHKLFTCFRNYERVWYNYHIQSKDQRKQLNQTNELNNDKEKKRSLSMNRFDTSSLSTIDSRSNSLLSDHYSSIRRNSIDIDTKVITTTTEACDTTTSNVLSFKDTDNSTSPCFASRSSTLYTSLPHKKNPNIIRHHNSLSSRNERKVLTIDKFRDAYNTTLTHYYRTCVSAEEARIDWHSKILKCLNHQQTLENDRLTSLTNGLTVYRNTLDDTLPTWKAVINEVANAISLADPLLDLQSFRHRSHHQDLSQMSPQQSTNSKNKLTDGSIKSKNVGFSLQRLIDLPCENVLLQQNSQQQKPSSPSSKSQALNIIRERESQASVDKSKKNTHIEFISSSSTLSSSIPPSSSSSSSSSSSSSSVNLRLIIQHYLTKSSILTLLDMLMKDIEKERRTKRGLSNLVQVYAHQPAYTNIDTLMESRHRLFFSRVRLTYLLLCRQKLTHSLKQIHSSSFENIETDKRIFNSLSSSSSPSSSENLELSSSLVQAGFSKLILTSRICSDLNNTKTISNNNNNDKKSYLITSRWIRLPDLNRLTNPGLNLMEWPPFPVEDITYENINDNIFQLDIEKIREQLQSQSSWILDCMNNDSNNNYDIDNASTSNRTHCTITSNNNITDKYHNIPQEMMHNQSQSPIKPNVTCSEKSVTFTSTNSIHNGNIMEKFGQTLKKPFHDHTNDTSNHDKSLESNNRSTVIKRFSSIEVSRKRSPEISRIHSERTDITTINNSLGTIKNNTGSISKHLMLDHSRNSHKSIVPLATDEIDTEDSMNKQCSSISSVPYSSSISSDNTENSKEILTTNSFWSRLSHGLRGSSNNKQQSNRNKSEHNVNSNNLSSRKVNAKSVISEPSCLRMVNIPNSSCSLDSGNTGSIDSGPSSSCKSVHFHTDLIETDKKNNSDLNLEVGSSSNLHCLGWAKVQRNYLPRNSTEIHLQEGDIISIYRKINTDWWYGEVNNKKGLFPVNHIEEF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.1	Very low	46.1	Very low	119 Å²	119	116.6 Å²	116.6	59%	0.586	60%	0.595	S	S	*	*				0	0	0	-149.3	-177.6	131.4	0	0	110.7	L3 N4 T5	M1-L3 PolarHBondContact O-N 3.45Å; M1-N4 PolarHBondContact O-N 3.21Å; M1-T5 PolarHBondContact O-OG1 2.97Å
2	F	37.6	Very low	47.8	Very low	158 Å²	158	109.2 Å²	109.2	69%	0.693	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn		0	0	0	-88.6	-79	0	0	0	111	F137	F2-F137 HydrophobicContact CD1-CZ 4.05Å; F2-F137 AromaticContact CD2-CZ 4Å; F2-F137 HydrophobicContact CD2-CZ 4Å; F2-F137 HydrophobicContact CE1-CD1 4.37Å; F2-F137 AromaticContact CE1-CE1 3.48Å; F2-F137 HydrophobicContact CE1-CE1 3.48Å; F2-F137 VanDerWaalsContact CE1-CE1 3.48Å; F2-F137 HydrophobicContact CE1-CE2 4.25Å; F2-F137 AromaticContact CE1-CZ 3.41Å; F2-F137 HydrophobicContact CE1-CZ 3.41Å; F2-F137 VanDerWaalsContact CE1-CZ 3.41Å; F2-F137 AromaticContact CE2-CE1 3.63Å; F2-F137 HydrophobicContact CE2-CE1 3.63Å; F2-F137 AromaticContact CE2-CZ 3.35Å; F2-F137 HydrophobicContact CE2-CZ 3.35Å; F2-F137 HydrophobicContact CG-CZ 4.3Å; F2-F137 HydrophobicContact CZ-CD1 4.09Å; F2-F137 AromaticContact CZ-CE1 2.93Å; F2-F137 HydrophobicContact CZ-CE1 2.93Å; F2-F137 HydrophobicContact CZ-CE2 4.22Å; F2-F137 AromaticContact CZ-CZ 3.02Å; F2-F137 HydrophobicContact CZ-CZ 3.02Å
3	L	39.9	Very low	50	Low	166 Å²	166	110.4 Å²	110.4	87%	0.869	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn		0	0	0	-76.4	162.4	0	0	0	110.4	M1	M1-L3 PolarHBondContact O-N 3.45Å
4	N	43.6	Very low	52.3	Low	149 Å²	149	106.1 Å²	106.1	80%	0.797	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn		0	4.8	0	-86.8	-11.8	0	0	0	110.3	M1	M1-N4 PolarHBondContact O-N 3.21Å
5	T	47.4	Very low	54.3	Low	64 Å²	64	103.5 Å²	103.5	39%	0.393	54%	0.535	S	S	.	.	S	Bend	trans	-125.5	74.5	171.6	54.7	0	0	0	0	109	M1 R7	M1-T5 PolarHBondContact O-OG1 2.97Å; T5-R7 VanDerWaalsContact C-N 3.28Å; T5-R7 PolarHBondContact O-N 3.21Å
6	N	47.2	Very low	56.2	Low	104 Å²	104	100 Å²	100	56%	0.556	53%	0.531	S	S	*	.			trans	18.2	71.3	164.1	-73.1	-24.6	0	0	0	111.9	D10 I11	N6-D10 HydrophobicContact CB-CB 3.73Å; N6-I11 HydrophobicContact CB-CD1 4.2Å; N6-I11 HydrophobicContact CB-CG1 3.75Å
7	R	51.2	Low	58.1	Low	180 Å²	180	94.6 Å²	94.6	68%	0.679	50%	0.502	S	S	*	.			trans	4.4	112.6	164.7	-75	-155.8	-157.1	-138.7	0.5	111.5	T5 C9 D10	T5-R7 VanDerWaalsContact C-N 3.28Å; T5-R7 PolarHBondContact O-N 3.21Å; R7-C9 HydrophobicContact CB-CB 4.43Å; R7-C9 CarbonylContact O-C 3.49Å; R7-C9 PolarHBondContact O-N 3.36Å; R7-D10 PolarHBondContact O-N 3.4Å
8	P	49.9	Very low	59.8	Low	54 Å²	54	93 Å²	93	35%	0.351	49%	0.494	S	S	.	.	H	α-helix	trans	-29.8	0	173.7	-8.6	11.9	0	0	0	111.8	D10 I11 F130 Y133	P8-D10 PolarHBondContact O-N 3.17Å; P8-I11 PolarHBondContact O-N 3.41Å; P8-F130 HydrophobicContact CB-CD1 4.48Å; P8-Y133 HydrophobicContact CB-CD2 3.67Å; P8-Y133 HydrophobicContact CB-CG 4.3Å
9	C	50.9	Low	61.3	Low	72 Å²	72	96.3 Å²	96.3	49%	0.486	50%	0.504	S	S	.	.	H	α-helix		0	-20.6	0	-56.4	0	0	0	0	111.2	R7 I11 F130	R7-C9 HydrophobicContact CB-CB 4.43Å; R7-C9 CarbonylContact O-C 3.49Å; R7-C9 PolarHBondContact O-N 3.36Å; C9-I11 VanDerWaalsContact C-N 3.28Å; C9-I11 PolarHBondContact O-N 3.45Å; C9-F130 HydrophobicContact CB-CE1 4.15Å; C9-F130 HydrophobicContact CB-CZ 4.43Å
10	D	53.4	Low	62.6	Low	111 Å²	111	95.3 Å²	95.3	59%	0.594	50%	0.496	S	S	*	.	H	α-helix	trans	-86.6	-6.5	-176.5	-71	-23.2	0	0	0	111.3	N6 R7 P8	N6-D10 HydrophobicContact CB-CB 3.73Å; R7-D10 PolarHBondContact O-N 3.4Å; P8-D10 PolarHBondContact O-N 3.17Å
11	I	59	Low	63.9	Low	106 Å²	106	91.6 Å²	91.6	54%	0.544	48%	0.476	S	S	.	.	H	α-helix	trans	-98.8	-11.6	-176.1	-66.1	162.1	0	0	0	108.9	N6 P8 C9 N13	N6-I11 HydrophobicContact CB-CD1 4.2Å; N6-I11 HydrophobicContact CB-CG1 3.75Å; P8-I11 PolarHBondContact O-N 3.41Å; C9-I11 VanDerWaalsContact C-N 3.28Å; C9-I11 PolarHBondContact O-N 3.45Å; I11-N13 PolarHBondContact O-N 2.97Å
12	L	66.5	Low	66.9	Low	27 Å²	27	90.5 Å²	90.5	14%	0.141	47%	0.469	C	S	.	.			trans	-104.1	112.3	-177.3	-68.9	160.6	0	0	0	109.9	R14 L129 F130 W317	L12-R14 PolarHBondContact O-N 2.88Å; L12-L129 HydrophobicContact CD1-CD2 3.44Å; L12-L129 VanDerWaalsContact CD1-CD2 3.44Å; L12-L129 HydrophobicContact CD1-CG 4.28Å; L12-L129 HydrophobicContact CD2-CD2 3.41Å; L12-L129 VanDerWaalsContact CD2-CD2 3.41Å; L12-L129 HydrophobicContact CG-CD2 4.04Å; L12-F130 HydrophobicContact CD1-CD1 4.41Å; L12-F130 HydrophobicContact CD1-CE1 3.71Å; L12-F130 HydrophobicContact CD1-CZ 3.82Å; L12-W317 HydrophobicContact CD2-CE3 4.28Å; L12-W317 HydrophobicContact CD2-CH2 4.25Å; L12-W317 HydrophobicContact CD2-CZ3 4.1Å
13	N	76.3	Confident	69.4	Low	125 Å²	125	88 Å²	88	67%	0.668	46%	0.46	S	S	*	.			trans	-87.3	88.2	176.1	-170.3	-8.5	0	0	0	110.3	I11 S15	I11-N13 PolarHBondContact O-N 2.97Å; N13-S15 PolarHBondContact ND2-OG 3.39Å; N13-S15 WeakPolarHBondContact OD1-CB 2.04Å; N13-S15 PolarHBondContact OD1-N 2.92Å; N13-S15 PolarHBondContact OD1-OG 3.36Å
14	R	82.1	Confident	71.7	Confident	51 Å²	51	80.6 Å²	80.6	19%	0.192	42%	0.42	C	S	.	.			trans	-85.6	6.9	173.7	-178.8	178.6	168.8	170.2	2.3	110.4	L12 G16 F17 D18 D123	L12-R14 PolarHBondContact O-N 2.88Å; R14-G16 PolarHBondContact O-N 3.21Å; R14-F17 HydrophobicContact CG-CB 4.36Å; R14-F17 HydrophobicContact CG-CD1 4.48Å; R14-F17 PolarHBondContact O-N 2.9Å; R14-D18 IonicContact CZ-OD1 3.3Å; R14-D18 IonicContact NE-OD1 3.3Å; R14-D18 PolarHBondContact NE-OD1 3.17Å; R14-D18 IonicContact NH2-OD1 2.74Å; R14-D18 PolarHBondContact O-N 2.33Å; R14-D18 VanDerWaalsContact O-N 3.15Å; R14-D123 IonicContact CZ-OD1 2.98Å; R14-D123 IonicContact NH1-OD1 3.99Å; R14-D123 PolarHBondContact NH1-OD1 3.32Å; R14-D123 IonicContact NH2-OD1 3.63Å; R14-D123 PolarHBondContact NH2-OD1 2.88Å
15	S	82.9	Confident	74	Confident	67 Å²	67	78.6 Å²	78.6	47%	0.469	40%	0.404	S	S	.	.	H	α-helix	trans	-64	-33.5	-172.9	62.3	0	0	0	0	111.6	N13 F17 D18 K19	N13-S15 PolarHBondContact ND2-OG 3.39Å; N13-S15 WeakPolarHBondContact OD1-CB 2.04Å; N13-S15 PolarHBondContact OD1-N 2.92Å; N13-S15 PolarHBondContact OD1-OG 3.36Å; S15-F17 PolarHBondContact O-N 2.94Å; S15-D18 PolarHBondContact O-N 3.37Å; S15-K19 WeakPolarHBondContact O-CB 3.09Å; S15-K19 PolarHBondContact O-N 3.04Å
16	G	85.1	Confident	76.2	Confident	47 Å²	47	80.8 Å²	80.8	49%	0.485	41%	0.41	S	S	.	.	H	α-helix	trans	-67.2	-45	-178.4	0	0	0	0	0	111.2	R14 D18 K19 Q20	R14-G16 PolarHBondContact O-N 3.21Å; G16-D18 VanDerWaalsContact C-N 3.28Å; G16-D18 PolarHBondContact O-N 3.02Å; G16-K19 PolarHBondContact O-N 2.84Å; G16-Q20 PolarHBondContact O-N 3.4Å; G16-Q20 VanDerWaalsContact O-N 3.09Å
17	F	88.3	Confident	78.3	Confident	8 Å²	8	76.2 Å²	76.2	4%	0.035	39%	0.387	C	S	.	.	H	α-helix	trans	-62.4	-44.7	178.4	174	-97.4	0	0	0	111.2	R14 S15 K19 Q20 Y21 V122 C324 L325	R14-F17 HydrophobicContact CG-CB 4.36Å; R14-F17 HydrophobicContact CG-CD1 4.48Å; R14-F17 PolarHBondContact O-N 2.9Å; S15-F17 PolarHBondContact O-N 2.94Å; F17-K19 PolarHBondContact O-N 2.99Å; F17-Q20 PolarHBondContact O-N 2.54Å; F17-Y21 WeakPolarHBondContact O-CB 1.64Å; F17-Y21 PolarHBondContact O-N 3.12Å; F17-V122 HydrophobicContact CD1-CG1 4.27Å; F17-V122 HydrophobicContact CD2-CG2 4.44Å; F17-V122 HydrophobicContact CE1-CB 4.12Å; F17-V122 HydrophobicContact CE1-CG1 4.06Å; F17-V122 HydrophobicContact CE1-CG2 4.03Å; F17-V122 HydrophobicContact CE2-CG2 3.73Å; F17-V122 HydrophobicContact CZ-CB 4.06Å; F17-V122 HydrophobicContact CZ-CG1 4.39Å; F17-V122 HydrophobicContact CZ-CG2 3.47Å; F17-V122 VanDerWaalsContact CZ-CG2 3.47Å; F17-C324 HydrophobicContact CE2-CB 4.03Å; F17-L325 HydrophobicContact CD2-CD2 3.76Å; F17-L325 HydrophobicContact CD2-CG 4.22Å
18	D	87.9	Confident	80.3	Confident	66 Å²	66	68.4 Å²	68.4	35%	0.353	36%	0.359	S	S	.	.	H	α-helix	trans	-61.7	-42.5	-178.8	-69.9	-24.9	0	0	0	111.1	R14 S15 G16 Q20 Y21 E22	R14-D18 IonicContact CZ-OD1 3.3Å; R14-D18 IonicContact NE-OD1 3.3Å; R14-D18 PolarHBondContact NE-OD1 3.17Å; R14-D18 IonicContact NH2-OD1 2.74Å; R14-D18 PolarHBondContact O-N 2.33Å; R14-D18 VanDerWaalsContact O-N 3.15Å; S15-D18 PolarHBondContact O-N 3.37Å; G16-D18 VanDerWaalsContact C-N 3.28Å; G16-D18 PolarHBondContact O-N 3.02Å; D18-Q20 VanDerWaalsContact C-N 3.35Å; D18-Y21 WeakPolarHBondContact O-CB 3.03Å; D18-Y21 PolarHBondContact O-N 2.89Å; D18-E22 VanDerWaalsContact O-CG 3.31Å; D18-E22 WeakPolarHBondContact O-CG 3.36Å; D18-E22 PolarHBondContact O-N 2.89Å
19	K	88.5	Confident	82.5	Confident	156 Å²	156	73.8 Å²	73.8	68%	0.678	37%	0.374	S	S	*	.	H	α-helix	trans	-61.9	-47.7	178.1	-169.5	175.4	178.8	178.9	0	111.1	S15 G16 F17 Y21 E22 E23	S15-K19 WeakPolarHBondContact O-CB 3.09Å; S15-K19 PolarHBondContact O-N 3.04Å; G16-K19 PolarHBondContact O-N 2.84Å; F17-K19 PolarHBondContact O-N 2.99Å; K19-Y21 PolarHBondContact O-N 2.87Å; K19-E22 WeakPolarHBondContact O-CB 2.07Å; K19-E22 PolarHBondContact O-N 2.93Å; K19-E23 WeakPolarHBondContact O-CG 3.39Å; K19-E23 PolarHBondContact O-N 2.75Å
20	Q	87.9	Confident	84.6	Confident	75 Å²	75	74.8 Å²	74.8	35%	0.35	37%	0.373	S	S	.	.	H	α-helix	trans	-61.6	-38	178.5	-167.9	168.7	-19.7	0	0	110.8	G16 F17 D18 E22 E23 Y24 L325	G16-Q20 PolarHBondContact O-N 3.4Å; G16-Q20 VanDerWaalsContact O-N 3.09Å; F17-Q20 PolarHBondContact O-N 2.54Å; D18-Q20 VanDerWaalsContact C-N 3.35Å; Q20-E22 VanDerWaalsContact C-N 3.26Å; Q20-E22 PolarHBondContact O-N 2.67Å; Q20-E23 PolarHBondContact O-N 3.39Å; Q20-Y24 VanDerWaalsContact O-CB 3.27Å; Q20-Y24 WeakPolarHBondContact O-CB 3.42Å; Q20-Y24 PolarHBondContact O-N 2.7Å; Q20-L325 HydrophobicContact CB-CD2 4.41Å
21	Y	89.8	Confident	86.6	Confident	19 Å²	19	69.6 Å²	69.6	8%	0.075	35%	0.346	C	S	.	.	H	α-helix	trans	-62.1	-43.9	177.9	-176.1	-103.8	0	0	0	110.6	F17 D18 K19 E23 Y24 K25 K115 K119	F17-Y21 WeakPolarHBondContact O-CB 1.64Å; F17-Y21 PolarHBondContact O-N 3.12Å; D18-Y21 WeakPolarHBondContact O-CB 3.03Å; D18-Y21 PolarHBondContact O-N 2.89Å; K19-Y21 PolarHBondContact O-N 2.87Å; Y21-E23 VanDerWaalsContact C-N 3.3Å; Y21-E23 PolarHBondContact O-N 3.07Å; Y21-Y24 WeakPolarHBondContact O-CA 2.44Å; Y21-Y24 WeakPolarHBondContact O-CB 3.23Å; Y21-Y24 PolarHBondContact O-N 2.88Å; Y21-K25 PolarHBondContact O-N 2.74Å; Y21-K115 HydrophobicContact CE2-CG 3.61Å; Y21-K115 VanDerWaalsContact CZ-CE 3.47Å; Y21-K115 WeakPolarHBondContact OH-CE 3.24Å; Y21-K115 WeakPolarHBondContact OH-CG 3.28Å; Y21-K119 HydrophobicContact CE1-CD 4.15Å; Y21-K119 HydrophobicContact CE2-CB 4.15Å
22	E	89.6	Confident	88.3	Confident	95 Å²	95	67.2 Å²	67.2	44%	0.444	33%	0.332	S	S	.	.	H	α-helix	trans	-60.2	-42.3	176.2	-73.2	-55.8	143.1	0	0	111.6	D18 K19 Q20 Y24 K25 Q26	D18-E22 VanDerWaalsContact O-CG 3.31Å; D18-E22 WeakPolarHBondContact O-CG 3.36Å; D18-E22 PolarHBondContact O-N 2.89Å; K19-E22 WeakPolarHBondContact O-CB 2.07Å; K19-E22 PolarHBondContact O-N 2.93Å; Q20-E22 VanDerWaalsContact C-N 3.26Å; Q20-E22 PolarHBondContact O-N 2.67Å; E22-Y24 PolarHBondContact O-N 3.16Å; E22-K25 WeakPolarHBondContact O-CB 2.53Å; E22-K25 PolarHBondContact O-N 3.07Å; E22-K25 VanDerWaalsContact O-N 3.15Å; E22-Q26 WeakPolarHBondContact O-CG 2.38Å; E22-Q26 PolarHBondContact O-N 3.29Å
23	E	89.6	Confident	89.8	Confident	107 Å²	107	67.7 Å²	67.7	50%	0.5	34%	0.337	S	S	.	.	H	α-helix	trans	-62.4	-37.6	177.1	-68.7	-69.2	154.2	0	0	110.9	K19 Q20 Y21 K25 Q26 G27	K19-E23 WeakPolarHBondContact O-CG 3.39Å; K19-E23 PolarHBondContact O-N 2.75Å; Q20-E23 PolarHBondContact O-N 3.39Å; Y21-E23 VanDerWaalsContact C-N 3.3Å; Y21-E23 PolarHBondContact O-N 3.07Å; E23-K25 PolarHBondContact O-N 3.29Å; E23-Q26 PolarHBondContact O-N 3.49Å; E23-Q26 PolarHBondContact OE2-OE1 3.32Å; E23-G27 PolarHBondContact O-N 3.42Å
24	Y	89.1	Confident	90.7	Very high	9 Å²	9	63.7 Å²	63.7	4%	0.035	32%	0.318	C	S	.	.	H	α-helix	trans	-61.4	-42.2	176.9	-176.6	-107.7	0	0	0	110.4	Q20 Y21 E22 Q26 G27 I28 F111 K115 L331	Q20-Y24 VanDerWaalsContact O-CB 3.27Å; Q20-Y24 WeakPolarHBondContact O-CB 3.42Å; Q20-Y24 PolarHBondContact O-N 2.7Å; Y21-Y24 WeakPolarHBondContact O-CA 2.44Å; Y21-Y24 WeakPolarHBondContact O-CB 3.23Å; Y21-Y24 PolarHBondContact O-N 2.88Å; E22-Y24 PolarHBondContact O-N 3.16Å; Y24-Q26 PolarHBondContact O-N 2.26Å; Y24-G27 PolarHBondContact O-N 3.38Å; Y24-G27 VanDerWaalsContact O-N 3.15Å; Y24-I28 HydrophobicContact CD1-CD1 4.02Å; Y24-I28 HydrophobicContact CE1-CD1 3.6Å; Y24-I28 HydrophobicContact CE1-CG1 4.41Å; Y24-I28 WeakPolarHBondContact O-CG1 2.53Å; Y24-I28 PolarHBondContact O-N 2.92Å; Y24-I28 VanDerWaalsContact O-N 3.14Å; Y24-F111 HydrophobicContact CE1-CD1 4.13Å; Y24-F111 AromaticContact CE2-CD1 3.3Å; Y24-F111 HydrophobicContact CE2-CD1 3.3Å; Y24-F111 AromaticContact CE2-CE1 3.38Å; Y24-F111 HydrophobicContact CE2-CE1 3.38Å; Y24-F111 AromaticContact CZ-CD1 3.03Å; Y24-F111 AromaticContact CZ-CE1 3.66Å; Y24-F111 WeakPolarHBondContact OH-CD1 3.25Å; Y24-F111 WeakPolarHBondContact OH-CE1 3.07Å; Y24-F111 VanDerWaalsContact OH-CG 3.31Å; Y24-F111 WeakPolarHBondContact OH-CG 3.2Å; Y24-K115 HydrophobicContact CD1-CG 4.33Å; Y24-K115 HydrophobicContact CE1-CB 3.85Å; Y24-K115 HydrophobicContact CE1-CG 4.15Å; Y24-L331 HydrophobicContact CE2-CB 4.04Å; Y24-L331 HydrophobicContact CE2-CD1 4.37Å; Y24-L331 VanDerWaalsContact OH-CD1 3.3Å; Y24-L331 WeakPolarHBondContact OH-CD1 3.29Å
25	K	91.1	Very high	91.3	Very high	107 Å²	107	61.7 Å²	61.7	47%	0.465	31%	0.31	S	S	.	.	H	α-helix	trans	-61.2	-44	175.5	-171.5	177	177	-178.5	0	111.6	Y21 E22 E23 G27 I28 Y29 K115	Y21-K25 PolarHBondContact O-N 2.74Å; E22-K25 WeakPolarHBondContact O-CB 2.53Å; E22-K25 PolarHBondContact O-N 3.07Å; E22-K25 VanDerWaalsContact O-N 3.15Å; E23-K25 PolarHBondContact O-N 3.29Å; K25-G27 PolarHBondContact O-N 3.37Å; K25-I28 PolarHBondContact O-N 2.73Å; K25-Y29 PolarHBondContact O-N 1.96Å; K25-K115 VanDerWaalsContact CG-NZ 3.35Å
26	Q	93.1	Very high	92	Very high	111 Å²	111	62 Å²	62	52%	0.519	31%	0.307	S	S	.	.	H	α-helix	trans	-64.6	-37.3	178.8	-71.4	178.4	-8.1	0	0	110.8	E22 E23 Y24 I28 Y29 L30	E22-Q26 WeakPolarHBondContact O-CG 2.38Å; E22-Q26 PolarHBondContact O-N 3.29Å; E23-Q26 PolarHBondContact O-N 3.49Å; E23-Q26 PolarHBondContact OE2-OE1 3.32Å; Y24-Q26 PolarHBondContact O-N 2.26Å; Q26-I28 PolarHBondContact O-N 2.94Å; Q26-Y29 WeakPolarHBondContact O-CB 2.94Å; Q26-Y29 PolarHBondContact O-N 2.72Å; Q26-L30 PolarHBondContact O-N 1.94Å
27	G	93.1	Very high	92.6	Very high	7 Å²	7	64.1 Å²	64.1	7%	0.072	31%	0.31	C	S	.	.	H	α-helix	trans	-61	-39.1	178.7	0	0	0	0	0	111.4	E23 Y24 K25 Y29 L30 T31	E23-G27 PolarHBondContact O-N 3.42Å; Y24-G27 PolarHBondContact O-N 3.38Å; Y24-G27 VanDerWaalsContact O-N 3.15Å; K25-G27 PolarHBondContact O-N 3.37Å; G27-Y29 PolarHBondContact O-N 3.41Å; G27-L30 PolarHBondContact O-N 3.47Å; G27-T31 PolarHBondContact O-N 3.24Å; G27-T31 PolarHBondContact O-OG1 3.37Å
28	I	93.2	Very high	93	Very high	16 Å²	16	65.4 Å²	65.4	8%	0.082	32%	0.316	C	S	.	.	H	α-helix	trans	-66.2	-44.2	178.5	-68.7	173.8	0	0	0	109.7	Y24 K25 Q26 L30 T31 Q32 F111 K115	Y24-I28 HydrophobicContact CD1-CD1 4.02Å; Y24-I28 HydrophobicContact CE1-CD1 3.6Å; Y24-I28 HydrophobicContact CE1-CG1 4.41Å; Y24-I28 WeakPolarHBondContact O-CG1 2.53Å; Y24-I28 PolarHBondContact O-N 2.92Å; Y24-I28 VanDerWaalsContact O-N 3.14Å; K25-I28 PolarHBondContact O-N 2.73Å; Q26-I28 PolarHBondContact O-N 2.94Å; I28-L30 PolarHBondContact O-N 3.43Å; I28-T31 PolarHBondContact O-N 3.33Å; I28-Q32 PolarHBondContact O-N 3.44Å; I28-F111 HydrophobicContact CD1-CB 3.84Å; I28-F111 HydrophobicContact CG1-CB 3.98Å; I28-F111 HydrophobicContact CG1-CD1 4.4Å; I28-F111 HydrophobicContact CG1-CG 4.33Å; I28-K115 HydrophobicContact CD1-CD 4.18Å
29	Y	94.5	Very high	93.4	Very high	168 Å²	168	65.5 Å²	65.5	66%	0.659	31%	0.314	S	S	*	.	H	α-helix	trans	-57.9	-44.9	178	178.7	-105	0	0	0	111.3	K25 Q26 G27 T31 Q32 C33	K25-Y29 PolarHBondContact O-N 1.96Å; Q26-Y29 WeakPolarHBondContact O-CB 2.94Å; Q26-Y29 PolarHBondContact O-N 2.72Å; G27-Y29 PolarHBondContact O-N 3.41Å; Y29-T31 VanDerWaalsContact C-N 3.25Å; Y29-T31 PolarHBondContact O-N 3.33Å; Y29-Q32 WeakPolarHBondContact O-CB 2.31Å; Y29-Q32 PolarHBondContact O-N 2.99Å; Y29-C33 WeakPolarHBondContact CE1-SG 1.84Å; Y29-C33 PolarHBondContact O-N 3.28Å; Y29-C33 PolarHBondContact O-SG 3.47Å
30	L	94.9	Very high	93.8	Very high	92 Å²	92	63.7 Å²	63.7	48%	0.482	31%	0.308	S	S	.	.	H	α-helix	trans	-60.1	-46.6	179.3	174	63.8	0	0	0	110.9	Q26 G27 I28 Q32 C33 V34	Q26-L30 PolarHBondContact O-N 1.94Å; G27-L30 PolarHBondContact O-N 3.47Å; I28-L30 PolarHBondContact O-N 3.43Å; L30-Q32 PolarHBondContact O-N 1.08Å; L30-C33 WeakPolarHBondContact O-CB 2.95Å; L30-C33 PolarHBondContact O-N 3.44Å; L30-V34 HydrophobicContact CD1-CG2 4.23Å; L30-V34 HydrophobicContact CG-CG2 4.38Å; L30-V34 VanDerWaalsContact O-CG2 3.28Å; L30-V34 WeakPolarHBondContact O-CG2 2.16Å; L30-V34 PolarHBondContact O-N 3.29Å
31	T	95.4	Very high	94.3	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.012	30%	0.302	C	S	.	.	H	α-helix	trans	-60.3	-39.3	180	-56.9	0	0	0	0	110.3	G27 I28 Y29 C33 V34 M35 L104 I108 R335	G27-T31 PolarHBondContact O-N 3.24Å; G27-T31 PolarHBondContact O-OG1 3.37Å; I28-T31 PolarHBondContact O-N 3.33Å; Y29-T31 VanDerWaalsContact C-N 3.25Å; Y29-T31 PolarHBondContact O-N 3.33Å; T31-C33 PolarHBondContact O-N 3.26Å; T31-V34 PolarHBondContact O-N 3.01Å; T31-M35 WeakPolarHBondContact O-CB 1.8Å; T31-M35 PolarHBondContact O-N 3.25Å; T31-L104 HydrophobicContact CG2-CD2 4.16Å; T31-I108 HydrophobicContact CG2-CD1 4.08Å; T31-I108 HydrophobicContact CG2-CG1 3.85Å; T31-R335 WeakPolarHBondContact OG1-CD 3.5Å
32	Q	96.2	Very high	94.6	Very high	56 Å²	56	61.8 Å²	61.8	26%	0.262	30%	0.3	S	S	.	.	H	α-helix	trans	-62.2	-43.2	175.1	-174.7	76.1	14.1	0	0	111.6	I28 Y29 L30 V34 M35 N36 I108	I28-Q32 PolarHBondContact O-N 3.44Å; Y29-Q32 WeakPolarHBondContact O-CB 2.31Å; Y29-Q32 PolarHBondContact O-N 2.99Å; L30-Q32 PolarHBondContact O-N 1.08Å; Q32-V34 PolarHBondContact O-N 3.44Å; Q32-M35 HydrophobicContact CG-CE 4.42Å; Q32-M35 PolarHBondContact O-N 3.4Å; Q32-M35 VanDerWaalsContact OE1-CE 3.3Å; Q32-N36 PolarHBondContact O-N 3.27Å; Q32-N36 PolarHBondContact O-ND2 2.75Å; Q32-I108 HydrophobicContact CB-CD1 4.15Å
33	C	96.6	Very high	95	Very high	37 Å²	37	62.3 Å²	62.3	25%	0.25	30%	0.302	C	S	.	.	H	α-helix	trans	-61.1	-46	177.9	-71	0	0	0	0	111.2	Y29 L30 T31 M35 N36 V37	Y29-C33 WeakPolarHBondContact CE1-SG 1.84Å; Y29-C33 PolarHBondContact O-N 3.28Å; Y29-C33 PolarHBondContact O-SG 3.47Å; L30-C33 WeakPolarHBondContact O-CB 2.95Å; L30-C33 PolarHBondContact O-N 3.44Å; T31-C33 PolarHBondContact O-N 3.26Å; C33-M35 PolarHBondContact O-N 2.86Å; C33-N36 PolarHBondContact O-N 3.49Å; C33-N36 VanDerWaalsContact O-N 3.14Å; C33-V37 VanDerWaalsContact O-CG2 3.25Å; C33-V37 WeakPolarHBondContact O-CG2 2.88Å; C33-V37 PolarHBondContact O-N 3.43Å
34	V	95.6	Very high	95.3	Very high	42 Å²	42	63.1 Å²	63.1	26%	0.255	31%	0.309	S	S	.	.	H	α-helix	trans	-61.1	-43.8	-179.7	170.3	0	0	0	0	109.1	L30 T31 Q32 N36 V37 F38 L339	L30-V34 HydrophobicContact CD1-CG2 4.23Å; L30-V34 HydrophobicContact CG-CG2 4.38Å; L30-V34 VanDerWaalsContact O-CG2 3.28Å; L30-V34 WeakPolarHBondContact O-CG2 2.16Å; L30-V34 PolarHBondContact O-N 3.29Å; T31-V34 PolarHBondContact O-N 3.01Å; Q32-V34 PolarHBondContact O-N 3.44Å; V34-N36 PolarHBondContact O-N 2.56Å; V34-V37 PolarHBondContact O-N 3.04Å; V34-F38 HydrophobicContact CG1-CD2 3.8Å; V34-F38 HydrophobicContact CG1-CE2 3.85Å; V34-F38 WeakPolarHBondContact O-CD2 3.11Å; V34-F38 PolarHBondContact O-N 2.86Å; V34-F38 VanDerWaalsContact O-N 3.08Å; V34-L339 HydrophobicContact CG1-CD2 4.47Å
35	M	96	Very high	95.7	Very high	8 Å²	8	64 Å²	64	4%	0.039	31%	0.313	C	S	.	.	H	α-helix	trans	-59.6	-44.5	178.6	-179.1	-179	66.4	0	0	110.7	T31 Q32 C33 V37 F38 Q39 I101 L104 N105 I108	T31-M35 WeakPolarHBondContact O-CB 1.8Å; T31-M35 PolarHBondContact O-N 3.25Å; Q32-M35 HydrophobicContact CG-CE 4.42Å; Q32-M35 PolarHBondContact O-N 3.4Å; Q32-M35 VanDerWaalsContact OE1-CE 3.3Å; C33-M35 PolarHBondContact O-N 2.86Å; M35-V37 PolarHBondContact O-N 3.41Å; M35-F38 PolarHBondContact O-N 0.93Å; M35-Q39 WeakPolarHBondContact O-CB 1.65Å; M35-Q39 PolarHBondContact O-N 3.12Å; M35-I101 HydrophobicContact CG-CG2 4.11Å; M35-L104 HydrophobicContact CB-CD1 4.44Å; M35-N105 WeakPolarHBondContact CE-OD1 3.14Å; M35-N105 HydrophobicContact SD-CB 3.98Å; M35-N105 PolarHBondContact SD-OD1 3.46Å; M35-I108 HydrophobicContact CE-CD1 3.73Å; M35-I108 HydrophobicContact SD-CD1 3.9Å
36	N	96.7	Very high	96	Very high	74 Å²	74	60 Å²	60	40%	0.396	30%	0.299	S	S	.	.	H	α-helix	trans	-63.2	-38.6	-179.7	-71.8	-17	0	0	0	111.6	Q32 C33 V34 F38 Q39 E40	Q32-N36 PolarHBondContact O-N 3.27Å; Q32-N36 PolarHBondContact O-ND2 2.75Å; C33-N36 PolarHBondContact O-N 3.49Å; C33-N36 VanDerWaalsContact O-N 3.14Å; V34-N36 PolarHBondContact O-N 2.56Å; N36-F38 VanDerWaalsContact C-N 3.25Å; N36-F38 PolarHBondContact O-N 3.14Å; N36-Q39 WeakPolarHBondContact O-CB 2.51Å; N36-Q39 PolarHBondContact O-N 2.48Å; N36-E40 WeakPolarHBondContact O-CG 2.63Å; N36-E40 PolarHBondContact O-N 2.44Å
37	V	97.3	Very high	96.2	Very high	92 Å²	92	58.8 Å²	58.8	56%	0.558	30%	0.297	S	S	*	.	H	α-helix	trans	-62.4	-44.4	179.1	169.7	0	0	0	0	109.9	C33 V34 M35 Q39 E40 K41	C33-V37 VanDerWaalsContact O-CG2 3.25Å; C33-V37 WeakPolarHBondContact O-CG2 2.88Å; C33-V37 PolarHBondContact O-N 3.43Å; V34-V37 PolarHBondContact O-N 3.04Å; M35-V37 PolarHBondContact O-N 3.41Å; V37-Q39 PolarHBondContact O-N 3.05Å; V37-E40 PolarHBondContact O-N 3.35Å; V37-K41 WeakPolarHBondContact O-CB 2.81Å; V37-K41 PolarHBondContact O-N 3.45Å
38	F	96.6	Very high	96.4	Very high	35 Å²	35	63.6 Å²	63.6	15%	0.154	31%	0.313	C	S	.	.	H	α-helix	trans	-72	-29.4	-178.2	-88.9	-78.8	0	0	0	110.2	V34 M35 N36 E40 K41 C42 L100 I101 Y346	V34-F38 HydrophobicContact CG1-CD2 3.8Å; V34-F38 HydrophobicContact CG1-CE2 3.85Å; V34-F38 WeakPolarHBondContact O-CD2 3.11Å; V34-F38 PolarHBondContact O-N 2.86Å; V34-F38 VanDerWaalsContact O-N 3.08Å; M35-F38 PolarHBondContact O-N 0.93Å; N36-F38 VanDerWaalsContact C-N 3.25Å; N36-F38 PolarHBondContact O-N 3.14Å; F38-E40 VanDerWaalsContact C-N 3.3Å; F38-K41 HydrophobicContact CD1-CD 4.14Å; F38-K41 HydrophobicContact CE1-CD 4.4Å; F38-K41 WeakPolarHBondContact O-CB 3.29Å; F38-K41 PolarHBondContact O-N 2.85Å; F38-C42 WeakPolarHBondContact O-CB 1.91Å; F38-C42 PolarHBondContact O-N 3.29Å; F38-C42 PolarHBondContact O-SG 3.45Å; F38-L100 HydrophobicContact CB-CD2 3.96Å; F38-L100 HydrophobicContact CD1-CD2 3.4Å; F38-L100 VanDerWaalsContact CD1-CD2 3.4Å; F38-L100 HydrophobicContact CD2-CD2 3.69Å; F38-L100 HydrophobicContact CE1-CD2 3.71Å; F38-L100 HydrophobicContact CE2-CD2 3.97Å; F38-L100 HydrophobicContact CG-CD2 3.4Å; F38-L100 HydrophobicContact CZ-CD2 3.98Å; F38-I101 HydrophobicContact CB-CG1 4.39Å; F38-Y346 AromaticContact CE1-CD2 3.66Å; F38-Y346 HydrophobicContact CE1-CD2 3.66Å; F38-Y346 AromaticContact CE1-CE2 4Å; F38-Y346 HydrophobicContact CE1-CE2 4Å; F38-Y346 HydrophobicContact CE1-CG 4.15Å; F38-Y346 HydrophobicContact CZ-CD2 4.38Å; F38-Y346 HydrophobicContact CZ-CG 4.44Å
39	Q	96.7	Very high	96.6	Very high	67 Å²	67	63 Å²	63	31%	0.313	31%	0.311	S	S	.	.	H	α-helix	trans	-63.2	-45.2	173.8	-174.9	69.5	22.2	0	0	110.8	M35 N36 V37 K41 C42 E43 I101	M35-Q39 WeakPolarHBondContact O-CB 1.65Å; M35-Q39 PolarHBondContact O-N 3.12Å; N36-Q39 WeakPolarHBondContact O-CB 2.51Å; N36-Q39 PolarHBondContact O-N 2.48Å; V37-Q39 PolarHBondContact O-N 3.05Å; Q39-K41 PolarHBondContact O-N 3.27Å; Q39-C42 WeakPolarHBondContact O-CB 2.46Å; Q39-C42 PolarHBondContact O-N 3.44Å; Q39-E43 WeakPolarHBondContact O-CG 2.37Å; Q39-E43 PolarHBondContact O-N 2.82Å; Q39-I101 HydrophobicContact CB-CD1 4.2Å
40	E	97.7	Very high	96.8	Very high	119 Å²	119	61.5 Å²	61.5	56%	0.556	30%	0.304	S	S	*	.	H	α-helix	trans	-62.4	-41.6	176.1	-70.8	-179.9	-173.5	0	0	111.5	N36 V37 F38 C42 E43 L44	N36-E40 WeakPolarHBondContact O-CG 2.63Å; N36-E40 PolarHBondContact O-N 2.44Å; V37-E40 PolarHBondContact O-N 3.35Å; F38-E40 VanDerWaalsContact C-N 3.3Å; E40-C42 PolarHBondContact O-N 3.15Å; E40-E43 WeakPolarHBondContact O-CB 3.28Å; E40-E43 PolarHBondContact O-N 3Å; E40-L44 WeakPolarHBondContact O-CG 3.33Å; E40-L44 PolarHBondContact O-N 2.97Å
41	K	97	Very high	96.9	Very high	50 Å²	50	60 Å²	60	22%	0.217	30%	0.3	C	S	.	.	H	α-helix	trans	-59	-45.1	177	176.6	-175.4	172.5	-171.5	0	110.6	V37 F38 Q39 E43 L44 Q45 L96 Y346	V37-K41 WeakPolarHBondContact O-CB 2.81Å; V37-K41 PolarHBondContact O-N 3.45Å; F38-K41 HydrophobicContact CD1-CD 4.14Å; F38-K41 HydrophobicContact CE1-CD 4.4Å; F38-K41 WeakPolarHBondContact O-CB 3.29Å; F38-K41 PolarHBondContact O-N 2.85Å; Q39-K41 PolarHBondContact O-N 3.27Å; K41-E43 PolarHBondContact O-N 3.49Å; K41-L44 PolarHBondContact O-N 3.04Å; K41-Q45 WeakPolarHBondContact O-CB 3.5Å; K41-Q45 PolarHBondContact O-N 3.27Å; K41-L96 HydrophobicContact CD-CD1 4.42Å; K41-Y346 HydrophobicContact CD-CE2 4.48Å; K41-Y346 VanDerWaalsContact NZ-CD2 3.28Å; K41-Y346 PolarHBondContact NZ-OH 2.9Å
42	C	96.8	Very high	97.1	Very high	4 Å²	4	60.3 Å²	60.3	3%	0.027	30%	0.302	C	S	.	.	H	α-helix	trans	-60.8	-40.5	-179.6	-74.1	0	0	0	0	110.2	F38 Q39 E40 L44 Q45 S46 V93 L96 L97	F38-C42 WeakPolarHBondContact O-CB 1.91Å; F38-C42 PolarHBondContact O-N 3.29Å; F38-C42 PolarHBondContact O-SG 3.45Å; Q39-C42 WeakPolarHBondContact O-CB 2.46Å; Q39-C42 PolarHBondContact O-N 3.44Å; E40-C42 PolarHBondContact O-N 3.15Å; C42-L44 VanDerWaalsContact C-N 3.27Å; C42-L44 PolarHBondContact O-N 3.32Å; C42-Q45 PolarHBondContact O-N 3Å; C42-S46 VanDerWaalsContact O-CB 3.28Å; C42-S46 WeakPolarHBondContact O-CB 3.47Å; C42-S46 PolarHBondContact O-N 3.1Å; C42-V93 HydrophobicContact CB-CG1 4.13Å; C42-L96 VanDerWaalsContact SG-CB 3.6Å; C42-L97 HydrophobicContact CB-CD2 4.3Å
43	E	97	Very high	97.1	Very high	106 Å²	106	60.3 Å²	60.3	50%	0.495	31%	0.309	S	S	.	.	H	α-helix	trans	-61.5	-44.1	177.8	-71.2	174.9	-176.4	0	0	111.3	Q39 E40 K41 Q45 S46 N47	Q39-E43 WeakPolarHBondContact O-CG 2.37Å; Q39-E43 PolarHBondContact O-N 2.82Å; E40-E43 WeakPolarHBondContact O-CB 3.28Å; E40-E43 PolarHBondContact O-N 3Å; K41-E43 PolarHBondContact O-N 3.49Å; E43-Q45 PolarHBondContact O-N 2.96Å; E43-S46 PolarHBondContact O-N 3.39Å; E43-N47 VanDerWaalsContact O-CG 3.28Å; E43-N47 PolarHBondContact O-N 3.48Å; E43-N47 PolarHBondContact O-ND2 2.81Å
44	L	97.7	Very high	97.2	Very high	124 Å²	124	67 Å²	67	65%	0.649	33%	0.328	S	S	*	.	H	α-helix	trans	-64.4	-41.5	179.1	-71.4	175	0	0	0	110.9	E40 K41 C42 S46 N47 Y48	E40-L44 WeakPolarHBondContact O-CG 3.33Å; E40-L44 PolarHBondContact O-N 2.97Å; K41-L44 PolarHBondContact O-N 3.04Å; C42-L44 VanDerWaalsContact C-N 3.27Å; C42-L44 PolarHBondContact O-N 3.32Å; L44-S46 PolarHBondContact O-N 3.36Å; L44-N47 PolarHBondContact O-N 3.29Å; L44-Y48 PolarHBondContact O-N 3.41Å
45	Q	96.5	Very high	97.3	Very high	26 Å²	26	68.9 Å²	68.9	12%	0.121	34%	0.337	C	S	.	.	H	α-helix	trans	-69.8	-36.7	-179.5	-172.1	147.6	16.8	0	0	110.5	K41 C42 E43 N47 Y48 S49 H89 V93	K41-Q45 WeakPolarHBondContact O-CB 3.5Å; K41-Q45 PolarHBondContact O-N 3.27Å; C42-Q45 PolarHBondContact O-N 3Å; E43-Q45 PolarHBondContact O-N 2.96Å; Q45-N47 PolarHBondContact O-N 3.25Å; Q45-Y48 WeakPolarHBondContact O-CB 3.49Å; Q45-Y48 PolarHBondContact O-N 3.25Å; Q45-S49 PolarHBondContact O-N 3.45Å; Q45-H89 HydrophobicContact CG-CB 3.85Å; Q45-H89 PolarHBondContact NE2-CE1 3.46Å; Q45-H89 PolarHBondContact NE2-ND1 3.49Å; Q45-V93 HydrophobicContact CB-CG2 3.7Å; Q45-V93 HydrophobicContact CG-CG2 3.68Å
46	S	97.4	Very high	97.4	Very high	24 Å²	24	68.7 Å²	68.7	17%	0.168	34%	0.336	C	S	.	.	H	α-helix	trans	-62.9	-44	176.7	179.2	0	0	0	0	110.5	C42 E43 L44 Y48 S49 R50	C42-S46 VanDerWaalsContact O-CB 3.28Å; C42-S46 WeakPolarHBondContact O-CB 3.47Å; C42-S46 PolarHBondContact O-N 3.1Å; E43-S46 PolarHBondContact O-N 3.39Å; L44-S46 PolarHBondContact O-N 3.36Å; S46-Y48 PolarHBondContact O-N 2.9Å; S46-S49 PolarHBondContact O-N 3.41Å; S46-R50 WeakPolarHBondContact O-CG 3.4Å; S46-R50 PolarHBondContact O-N 2.94Å; S46-R50 PolarHBondContact OG-NH1 3.43Å; S46-R50 PolarHBondContact OG-NH2 3.28Å
47	N	97.5	Very high	97.3	Very high	86 Å²	86	65.9 Å²	65.9	46%	0.46	33%	0.325	S	S	.	.	H	α-helix	trans	-61	-41	176.1	-69.2	-20.5	0	0	0	111.9	E43 L44 Q45 S49 R50 S51	E43-N47 VanDerWaalsContact O-CG 3.28Å; E43-N47 PolarHBondContact O-N 3.48Å; E43-N47 PolarHBondContact O-ND2 2.81Å; L44-N47 PolarHBondContact O-N 3.29Å; Q45-N47 PolarHBondContact O-N 3.25Å; N47-S49 PolarHBondContact O-N 3.22Å; N47-R50 PolarHBondContact O-N 3.34Å; N47-R50 PolarHBondContact OD1-NH1 3.3Å; N47-S51 PolarHBondContact O-N 2.99Å; N47-S51 PolarHBondContact O-OG 3.27Å; N47-S51 VanDerWaalsContact O-OG 3.07Å
48	Y	97.9	Very high	97.3	Very high	108 Å²	108	69.9 Å²	69.9	42%	0.424	33%	0.33	S	S	.	.	H	α-helix	trans	-62.8	-42.1	177.8	-177.5	-109.6	0	0	0	110.8	L44 Q45 S46 R50 S51 L52 E85 H89	L44-Y48 PolarHBondContact O-N 3.41Å; Q45-Y48 WeakPolarHBondContact O-CB 3.49Å; Q45-Y48 PolarHBondContact O-N 3.25Å; S46-Y48 PolarHBondContact O-N 2.9Å; Y48-R50 PolarHBondContact O-N 3.48Å; Y48-S51 PolarHBondContact O-N 3.2Å; Y48-L52 HydrophobicContact CE1-CD2 4.48Å; Y48-L52 WeakPolarHBondContact O-CB 3.26Å; Y48-L52 PolarHBondContact O-N 2.95Å; Y48-E85 PolarHBondContact OH-OE1 3.5Å; Y48-H89 AromaticContact CD1-CD2 3.52Å; Y48-H89 AromaticContact CD1-CG 3.93Å; Y48-H89 AromaticContact CD1-NE2 3.6Å; Y48-H89 AromaticContact CE1-CD2 3.46Å; Y48-H89 VanDerWaalsContact CE1-CD2 3.46Å; Y48-H89 WeakPolarHBondContact CE1-CD2 3.49Å; Y48-H89 AromaticContact CE1-NE2 3.27Å; Y48-H89 VanDerWaalsContact CE1-NE2 3.27Å; Y48-H89 WeakPolarHBondContact CE1-NE2 3.47Å
49	S	97.7	Very high	97.3	Very high	4 Å²	4	70.4 Å²	70.4	3%	0.028	33%	0.334	C	S	.	.	H	α-helix	trans	-63.3	-41.2	-179.9	171.2	0	0	0	0	110.6	Q45 S46 N47 S51 L52 S53 S86	Q45-S49 PolarHBondContact O-N 3.45Å; S46-S49 PolarHBondContact O-N 3.41Å; N47-S49 PolarHBondContact O-N 3.22Å; S49-S51 VanDerWaalsContact C-N 3.33Å; S49-L52 PolarHBondContact O-N 3.27Å; S49-S53 PolarHBondContact O-N 3.5Å; S49-S86 WeakPolarHBondContact CB-O 3.5Å; S49-S86 WeakPolarHBondContact O-CB 3.49Å; S49-S86 PolarHBondContact O-OG 2.49Å; S49-S86 PolarHBondContact OG-O 3.27Å; S49-S86 PolarHBondContact OG-OG 2.92Å
50	R	97.9	Very high	97.2	Very high	136 Å²	136	73.2 Å²	73.2	51%	0.513	34%	0.342	S	S	.	.	H	α-helix	trans	-66.4	-45.5	-179.8	-75	-175.8	-160.9	111.8	0.9	111	S46 N47 Y48 L52 S53 R54	S46-R50 WeakPolarHBondContact O-CG 3.4Å; S46-R50 PolarHBondContact O-N 2.94Å; S46-R50 PolarHBondContact OG-NH1 3.43Å; S46-R50 PolarHBondContact OG-NH2 3.28Å; N47-R50 PolarHBondContact O-N 3.34Å; N47-R50 PolarHBondContact OD1-NH1 3.3Å; Y48-R50 PolarHBondContact O-N 3.48Å; R50-L52 PolarHBondContact O-N 2.6Å; R50-S53 WeakPolarHBondContact O-CB 3.49Å; R50-S53 PolarHBondContact O-N 3.48Å; R50-R54 WeakPolarHBondContact O-CG 3.38Å; R50-R54 PolarHBondContact O-N 2.92Å
51	S	97.8	Very high	97.1	Very high	59 Å²	59	72.3 Å²	72.3	41%	0.413	34%	0.341	S	S	.	.	H	α-helix	trans	-62.2	-36.6	179.2	-62.6	0	0	0	0	111.3	N47 Y48 S49 S53 R54 L55	N47-S51 PolarHBondContact O-N 2.99Å; N47-S51 PolarHBondContact O-OG 3.27Å; N47-S51 VanDerWaalsContact O-OG 3.07Å; Y48-S51 PolarHBondContact O-N 3.2Å; S49-S51 VanDerWaalsContact C-N 3.33Å; S51-S53 PolarHBondContact O-N 2.19Å; S51-R54 PolarHBondContact O-N 3.2Å; S51-L55 WeakPolarHBondContact O-CG 3.48Å; S51-L55 PolarHBondContact O-N 3.42Å
52	L	97.8	Very high	97	Very high	9 Å²	9	72.6 Å²	72.6	5%	0.047	35%	0.353	C	S	.	.	H	α-helix	trans	-68	-36.5	179.1	-168.9	62.4	0	0	0	110.6	Y48 S49 R50 R54 L55 S56 L82 E85	Y48-L52 HydrophobicContact CE1-CD2 4.48Å; Y48-L52 WeakPolarHBondContact O-CB 3.26Å; Y48-L52 PolarHBondContact O-N 2.95Å; S49-L52 PolarHBondContact O-N 3.27Å; R50-L52 PolarHBondContact O-N 2.6Å; L52-R54 PolarHBondContact O-N 3.45Å; L52-L55 PolarHBondContact O-N 3.19Å; L52-S56 WeakPolarHBondContact O-CB 3.05Å; L52-S56 PolarHBondContact O-N 3.03Å; L52-L82 HydrophobicContact CD1-CB 4.16Å; L52-L82 HydrophobicContact CD1-CD2 3.31Å; L52-L82 HydrophobicContact CD1-CG 4.25Å; L52-L82 WeakPolarHBondContact CD2-O 3.29Å; L52-L82 HydrophobicContact CG-CB 4.24Å; L52-L82 HydrophobicContact CG-CD2 4.22Å; L52-L82 WeakPolarHBondContact CG-O 3.46Å; L52-E85 HydrophobicContact CD2-CB 3.21Å; L52-E85 VanDerWaalsContact CD2-CD 3.45Å; L52-E85 HydrophobicContact CD2-CG 3.25Å
53	S	97.8	Very high	96.8	Very high	57 Å²	57	73.3 Å²	73.3	40%	0.399	36%	0.356	S	S	.	.	H	α-helix	trans	-66.4	-36.9	178.4	178.4	0	0	0	0	110.6	S49 R50 S51 L55 S56 G57	S49-S53 PolarHBondContact O-N 3.5Å; R50-S53 WeakPolarHBondContact O-CB 3.49Å; R50-S53 PolarHBondContact O-N 3.48Å; S51-S53 PolarHBondContact O-N 2.19Å; S53-L55 VanDerWaalsContact C-N 3.28Å; S53-L55 PolarHBondContact O-N 3.08Å; S53-S56 PolarHBondContact O-N 2.83Å; S53-G57 PolarHBondContact O-N 2.88Å
54	R	97.7	Very high	96.5	Very high	176 Å²	176	72.1 Å²	72.1	66%	0.664	36%	0.364	S	S	*	.	H	α-helix	trans	-66.6	-42	177.3	-70.9	179.8	179.6	159.4	0.5	111.2	R50 S51 L52 S56 G57 R58	R50-R54 WeakPolarHBondContact O-CG 3.38Å; R50-R54 PolarHBondContact O-N 2.92Å; S51-R54 PolarHBondContact O-N 3.2Å; L52-R54 PolarHBondContact O-N 3.45Å; R54-S56 PolarHBondContact O-N 3.16Å; R54-G57 PolarHBondContact O-N 3.47Å; R54-G57 VanDerWaalsContact O-N 3.09Å; R54-R58 WeakPolarHBondContact O-CG 3.24Å; R54-R58 PolarHBondContact O-N 2.9Å
55	L	97.8	Very high	96	Very high	83 Å²	83	75.1 Å²	75.1	44%	0.435	37%	0.372	S	S	.	.	H	α-helix	trans	-64	-39.4	179.1	-73.3	175.5	0	0	0	111	S51 L52 S53 G57 R58 L59	S51-L55 WeakPolarHBondContact O-CG 3.48Å; S51-L55 PolarHBondContact O-N 3.42Å; L52-L55 PolarHBondContact O-N 3.19Å; S53-L55 VanDerWaalsContact C-N 3.28Å; S53-L55 PolarHBondContact O-N 3.08Å; L55-G57 PolarHBondContact O-N 2.43Å; L55-R58 PolarHBondContact O-N 3.46Å; L55-L59 WeakPolarHBondContact O-CB 3.27Å; L55-L59 PolarHBondContact O-N 2.65Å
56	S	97.3	Very high	95.3	Very high	3 Å²	3	77.8 Å²	77.8	2%	0.021	39%	0.39	C	S	.	.	H	α-helix	trans	-61.6	-41.5	177.4	165.9	0	0	0	0	110.5	L52 S53 R54 R58 L59 R60 A79	L52-S56 WeakPolarHBondContact O-CB 3.05Å; L52-S56 PolarHBondContact O-N 3.03Å; S53-S56 PolarHBondContact O-N 2.83Å; R54-S56 PolarHBondContact O-N 3.16Å; S56-R58 VanDerWaalsContact C-N 3.35Å; S56-L59 PolarHBondContact O-N 3.12Å; S56-R60 PolarHBondContact O-N 3.24Å; S56-R60 VanDerWaalsContact O-N 3.13Å; S56-A79 PolarHBondContact OG-O 3.29Å
57	G	96.6	Very high	94.2	Very high	16 Å²	16	81 Å²	81	17%	0.165	41%	0.409	C	S	.	.	H	α-helix	trans	-62.6	-42.9	177.6	0	0	0	0	0	111.9	S53 R54 L55 L59 R60 D61	S53-G57 PolarHBondContact O-N 2.88Å; R54-G57 PolarHBondContact O-N 3.47Å; R54-G57 VanDerWaalsContact O-N 3.09Å; L55-G57 PolarHBondContact O-N 2.43Å; G57-L59 VanDerWaalsContact C-N 3.27Å; G57-L59 PolarHBondContact O-N 3.34Å; G57-R60 PolarHBondContact O-N 3.43Å; G57-D61 VanDerWaalsContact O-CG 3.25Å; G57-D61 PolarHBondContact O-N 3.31Å
58	R	97	Very high	93.5	Very high	176 Å²	176	79 Å²	79	66%	0.664	41%	0.408	S	S	*	.	H	α-helix	trans	-62.6	-43.2	179.4	-73.5	175.2	58.8	-163.8	-1.7	111.4	R54 L55 S56 R60 D61 A62	R54-R58 WeakPolarHBondContact O-CG 3.24Å; R54-R58 PolarHBondContact O-N 2.9Å; L55-R58 PolarHBondContact O-N 3.46Å; S56-R58 VanDerWaalsContact C-N 3.35Å; R58-R60 PolarHBondContact O-N 3.41Å; R58-D61 PolarHBondContact O-N 3.48Å; R58-A62 PolarHBondContact O-N 3.47Å
59	L	95.8	Very high	93	Very high	45 Å²	45	74.7 Å²	74.7	24%	0.236	40%	0.397	C	S	.	.	H	α-helix	trans	-63.9	-36	178.6	179.9	58.6	0	0	0	110.7	L55 S56 G57 D61 A62 L63 I78 A79 L82	L55-L59 WeakPolarHBondContact O-CB 3.27Å; L55-L59 PolarHBondContact O-N 2.65Å; S56-L59 PolarHBondContact O-N 3.12Å; G57-L59 VanDerWaalsContact C-N 3.27Å; G57-L59 PolarHBondContact O-N 3.34Å; L59-D61 VanDerWaalsContact C-N 3.29Å; L59-D61 PolarHBondContact O-N 2.87Å; L59-A62 PolarHBondContact O-N 3.48Å; L59-L63 HydrophobicContact CD1-CD1 4.28Å; L59-L63 HydrophobicContact CD1-CG 4.36Å; L59-L63 HydrophobicContact CG-CD1 4.03Å; L59-L63 VanDerWaalsContact O-CG 3.31Å; L59-L63 WeakPolarHBondContact O-CG 3.4Å; L59-L63 PolarHBondContact O-N 3.4Å; L59-I78 HydrophobicContact CD2-CG2 4.35Å; L59-A79 HydrophobicContact CB-CB 4.41Å; L59-A79 HydrophobicContact CD2-CB 3.81Å; L59-A79 HydrophobicContact CG-CB 4.12Å; L59-L82 HydrophobicContact CD2-CD1 4.44Å
60	R	95.6	Very high	92.8	Very high	127 Å²	127	76.1 Å²	76.1	48%	0.479	41%	0.406	S	S	.	.	H	α-helix	trans	-69	-42.2	179.3	-171.4	172.5	68.6	-133.8	-0.5	110.6	S56 G57 R58 A62 L63 A64	S56-R60 PolarHBondContact O-N 3.24Å; S56-R60 VanDerWaalsContact O-N 3.13Å; G57-R60 PolarHBondContact O-N 3.43Å; R58-R60 PolarHBondContact O-N 3.41Å; R60-A62 PolarHBondContact O-N 3.34Å; R60-L63 PolarHBondContact O-N 3.36Å; R60-L63 VanDerWaalsContact O-N 3.15Å; R60-A64 PolarHBondContact O-N 3.3Å
61	D	95.4	Very high	92.5	Very high	100 Å²	100	72 Å²	72	54%	0.535	40%	0.395	S	S	.	.	H	α-helix	trans	-61.3	-42	178	-71.7	-17.3	0	0	0	111.1	G57 R58 L59 L63 A64	G57-D61 VanDerWaalsContact O-CG 3.25Å; G57-D61 PolarHBondContact O-N 3.31Å; R58-D61 PolarHBondContact O-N 3.48Å; L59-D61 VanDerWaalsContact C-N 3.29Å; L59-D61 PolarHBondContact O-N 2.87Å; D61-L63 PolarHBondContact O-N 2.93Å; D61-A64 WeakPolarHBondContact O-CB 3.44Å; D61-A64 PolarHBondContact O-N 3.29Å
62	A	93.4	Very high	92.3	Very high	56 Å²	56	70.7 Å²	70.7	46%	0.463	38%	0.383	S	S	.	.	H	α-helix	trans	-63.2	-34	178.2	0	0	0	0	0	111.4	R58 L59 R60 A64 K65	R58-A62 PolarHBondContact O-N 3.47Å; L59-A62 PolarHBondContact O-N 3.48Å; R60-A62 PolarHBondContact O-N 3.34Å; A62-A64 PolarHBondContact O-N 2.97Å; A62-K65 PolarHBondContact O-N 3.4Å
63	L	92.6	Very high	92.1	Very high	19 Å²	19	73.4 Å²	73.4	10%	0.099	40%	0.399	C	S	.	.	H	α-helix	trans	-81	-16.2	-177.1	-73.5	170	0	0	0	110.3	L59 R60 D61 K65 T66 H72 W75 L76	L59-L63 HydrophobicContact CD1-CD1 4.28Å; L59-L63 HydrophobicContact CD1-CG 4.36Å; L59-L63 HydrophobicContact CG-CD1 4.03Å; L59-L63 VanDerWaalsContact O-CG 3.31Å; L59-L63 WeakPolarHBondContact O-CG 3.4Å; L59-L63 PolarHBondContact O-N 3.4Å; R60-L63 PolarHBondContact O-N 3.36Å; R60-L63 VanDerWaalsContact O-N 3.15Å; D61-L63 PolarHBondContact O-N 2.93Å; L63-K65 PolarHBondContact O-N 3.1Å; L63-T66 PolarHBondContact O-N 3.32Å; L63-T66 PolarHBondContact O-OG1 3.03Å; L63-H72 WeakPolarHBondContact CB-CE1 3.07Å; L63-H72 PolarHBondContact O-CE1 3.43Å; L63-W75 HydrophobicContact CD1-CB 3.64Å; L63-W75 HydrophobicContact CD2-CB 3.81Å; L63-W75 HydrophobicContact CD2-CG 4.44Å; L63-W75 HydrophobicContact CG-CB 4.36Å; L63-L76 HydrophobicContact CB-CD2 4.21Å; L63-L76 HydrophobicContact CD1-CD2 3.82Å; L63-L76 HydrophobicContact CD1-CG 4.08Å
64	A	90.8	Very high	91.9	Very high	80 Å²	80	71.1 Å²	71.1	66%	0.661	38%	0.384	S	S	*	.	H	α-helix	trans	-70.2	-21.6	179.1	0	0	0	0	0	110.7	R60 D61 A62 T66	R60-A64 PolarHBondContact O-N 3.3Å; D61-A64 WeakPolarHBondContact O-CB 3.44Å; D61-A64 PolarHBondContact O-N 3.29Å; A62-A64 PolarHBondContact O-N 2.97Å; A64-T66 VanDerWaalsContact C-N 3.32Å
65	K	88	Confident	91.8	Very high	188 Å²	188	68.9 Å²	68.9	82%	0.817	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-13.3	-178.6	-66.3	178	-176.6	177.6	0	111	A62 L63	A62-K65 PolarHBondContact O-N 3.4Å; L63-K65 PolarHBondContact O-N 3.1Å
66	T	82.7	Confident	91.7	Very high	81 Å²	81	68 Å²	68	50%	0.497	37%	0.371	S	S	.	.	S	Bend	trans	-108.5	0	-175.6	51.8	0	0	0	0	108.8	L63 A64 H72	L63-T66 PolarHBondContact O-N 3.32Å; L63-T66 PolarHBondContact O-OG1 3.03Å; A64-T66 VanDerWaalsContact C-N 3.32Å; T66-H72 PolarHBondContact OG1-ND1 3.3Å
67	T	72.9	Confident	91.6	Very high	93 Å²	93	73.8 Å²	73.8	57%	0.571	39%	0.392	S	S	*	.				0	123.1	0	47.9	0	0	0	0	110.1	R383	T67-R383 PolarHBondContact OG1-NH2 3.34Å
68	G	82.9	Confident	91.6	Very high	42 Å²	42	75.3 Å²	75.3	43%	0.433	40%	0.396	S	S	.	.			trans	-14.7	0	172.1	0	0	0	0	0	112.6
69	G	88.6	Confident	91.5	Very high	19 Å²	19	67.1 Å²	67.1	20%	0.196	37%	0.366	C	S	.	.				0	164.6	0	0	0	0	0	0	110.7	V71 H72 T73 D376	G69-V71 PolarHBondContact O-N 3.38Å; G69-H72 PolarHBondContact O-N 2.75Å; G69-T73 WeakPolarHBondContact O-CB 3.47Å; G69-T73 WeakPolarHBondContact O-CG2 1.88Å; G69-T73 PolarHBondContact O-N 3.36Å; G69-T73 PolarHBondContact O-OG1 2.81Å; G69-T73 VanDerWaalsContact O-OG1 3.12Å; G69-D376 WeakPolarHBondContact CA-OD1 3.46Å
70	T	92.3	Very high	91.5	Very high	34 Å²	34	69.9 Å²	69.9	21%	0.209	38%	0.376	C	S	.	.	H	α-helix	trans	-62.6	-37	-178.6	56	0	0	0	0	111.2	H72 T73 A74 D372 D376	T70-H72 VanDerWaalsContact C-N 3.34Å; T70-T73 VanDerWaalsContact CA-OG1 3.27Å; T70-T73 WeakPolarHBondContact CA-OG1 3Å; T70-T73 PolarHBondContact O-N 2.72Å; T70-T73 PolarHBondContact O-OG1 3.26Å; T70-A74 PolarHBondContact O-N 3.23Å; T70-D372 PolarHBondContact OG1-N 2.86Å; T70-D372 PolarHBondContact OG1-O 3.41Å; T70-D376 VanDerWaalsContact N-CG 3.32Å; T70-D376 PolarHBondContact N-OD1 3.18Å; T70-D376 PolarHBondContact N-OD2 3.38Å; T70-D376 PolarHBondContact OG1-OD1 3.41Å; T70-D376 PolarHBondContact OG1-OD2 3.39Å
71	V	92.9	Very high	91.6	Very high	49 Å²	49	64.4 Å²	64.4	30%	0.297	36%	0.358	S	S	.	.	H	α-helix	trans	-74.1	-39.5	-179.5	175.1	0	0	0	0	108.6	G69 T73 A74 W75 A371 P373 D376	G69-V71 PolarHBondContact O-N 3.38Å; V71-T73 VanDerWaalsContact C-N 3.25Å; V71-T73 PolarHBondContact O-N 3.32Å; V71-A74 WeakPolarHBondContact O-CB 2.67Å; V71-A74 PolarHBondContact O-N 3.32Å; V71-A74 VanDerWaalsContact O-N 3.12Å; V71-W75 PolarHBondContact O-N 3.47Å; V71-A371 HydrophobicContact CG2-CB 4.36Å; V71-P373 HydrophobicContact CG2-CG 4.5Å; V71-D376 VanDerWaalsContact CG2-OD2 3.25Å; V71-D376 WeakPolarHBondContact CG2-OD2 3.45Å; V71-D376 PolarHBondContact N-OD2 3Å
72	H	93.6	Very high	91.7	Very high	32 Å²	32	61.6 Å²	61.6	15%	0.148	34%	0.343	C	S	.	.	H	α-helix	trans	-57	-47.7	174.2	177	73.7	0	0	0	111.5	L63 T66 G69 T70 A74 W75 L76	L63-H72 WeakPolarHBondContact CB-CE1 3.07Å; L63-H72 PolarHBondContact O-CE1 3.43Å; T66-H72 PolarHBondContact OG1-ND1 3.3Å; G69-H72 PolarHBondContact O-N 2.75Å; T70-H72 VanDerWaalsContact C-N 3.34Å; H72-A74 PolarHBondContact O-N 3.05Å; H72-W75 PolarHBondContact O-N 3.1Å; H72-W75 VanDerWaalsContact O-N 3.13Å; H72-L76 PolarHBondContact O-N 3.46Å
73	T	92.4	Very high	91.8	Very high	65 Å²	65	62 Å²	62	40%	0.399	34%	0.336	S	S	.	.	H	α-helix	trans	-59.9	-37.9	177.9	57.7	0	0	0	0	111.2	G69 T70 V71 W75 L76 R77	G69-T73 WeakPolarHBondContact O-CB 3.47Å; G69-T73 WeakPolarHBondContact O-CG2 1.88Å; G69-T73 PolarHBondContact O-N 3.36Å; G69-T73 PolarHBondContact O-OG1 2.81Å; G69-T73 VanDerWaalsContact O-OG1 3.12Å; T70-T73 VanDerWaalsContact CA-OG1 3.27Å; T70-T73 WeakPolarHBondContact CA-OG1 3Å; T70-T73 PolarHBondContact O-N 2.72Å; T70-T73 PolarHBondContact O-OG1 3.26Å; V71-T73 VanDerWaalsContact C-N 3.25Å; V71-T73 PolarHBondContact O-N 3.32Å; T73-W75 PolarHBondContact O-N 2.83Å; T73-L76 WeakPolarHBondContact O-CB 2.94Å; T73-L76 PolarHBondContact O-N 3.42Å; T73-R77 WeakPolarHBondContact O-CG 2.38Å; T73-R77 PolarHBondContact O-N 2.88Å
74	A	94.3	Very high	92	Very high	9 Å²	9	63.7 Å²	63.7	7%	0.074	34%	0.344	C	S	.	.	H	α-helix	trans	-62.1	-40.7	178.5	0	0	0	0	0	110.7	T70 V71 H72 L76 R77 I78 A367 A371	T70-A74 PolarHBondContact O-N 3.23Å; V71-A74 WeakPolarHBondContact O-CB 2.67Å; V71-A74 PolarHBondContact O-N 3.32Å; V71-A74 VanDerWaalsContact O-N 3.12Å; H72-A74 PolarHBondContact O-N 3.05Å; A74-L76 PolarHBondContact O-N 3.05Å; A74-R77 WeakPolarHBondContact O-CB 1.84Å; A74-R77 PolarHBondContact O-N 2.8Å; A74-R77 VanDerWaalsContact O-N 3.13Å; A74-I78 WeakPolarHBondContact O-CG1 2.93Å; A74-I78 PolarHBondContact O-N 2.83Å; A74-A367 HydrophobicContact CB-CB 4.32Å; A74-A371 HydrophobicContact CB-CB 4.16Å
75	W	96	Very high	92.3	Very high	129 Å²	129	61.4 Å²	61.4	49%	0.489	32%	0.319	S	S	.	.	H	α-helix	trans	-70.6	-32.1	-180	-82.6	112.2	0	0	0	110.5	L63 V71 H72 T73 R77 I78 A79	L63-W75 HydrophobicContact CD1-CB 3.64Å; L63-W75 HydrophobicContact CD2-CB 3.81Å; L63-W75 HydrophobicContact CD2-CG 4.44Å; L63-W75 HydrophobicContact CG-CB 4.36Å; V71-W75 PolarHBondContact O-N 3.47Å; H72-W75 PolarHBondContact O-N 3.1Å; H72-W75 VanDerWaalsContact O-N 3.13Å; T73-W75 PolarHBondContact O-N 2.83Å; W75-R77 PolarHBondContact O-N 3.33Å; W75-I78 HydrophobicContact CD2-CD1 4.16Å; W75-I78 HydrophobicContact CE3-CB 4.4Å; W75-I78 HydrophobicContact CE3-CD1 3.55Å; W75-I78 HydrophobicContact CH2-CD1 4.49Å; W75-I78 HydrophobicContact CZ3-CD1 3.74Å; W75-I78 WeakPolarHBondContact O-CB 3.38Å; W75-I78 PolarHBondContact O-N 2.67Å; W75-I78 VanDerWaalsContact O-N 3.15Å; W75-A79 PolarHBondContact O-N 3.35Å
76	L	94.9	Very high	92.8	Very high	65 Å²	65	52.8 Å²	52.8	34%	0.34	28%	0.282	S	S	.	.	H	α-helix	trans	-64.3	-33.4	175.4	-78	172.2	0	0	0	111.2	L63 H72 T73 A74 I78 A79 K80	L63-L76 HydrophobicContact CB-CD2 4.21Å; L63-L76 HydrophobicContact CD1-CD2 3.82Å; L63-L76 HydrophobicContact CD1-CG 4.08Å; H72-L76 PolarHBondContact O-N 3.46Å; T73-L76 WeakPolarHBondContact O-CB 2.94Å; T73-L76 PolarHBondContact O-N 3.42Å; A74-L76 PolarHBondContact O-N 3.05Å; L76-I78 PolarHBondContact O-N 2.8Å; L76-A79 WeakPolarHBondContact O-CB 3.06Å; L76-A79 PolarHBondContact O-N 2.87Å; L76-K80 PolarHBondContact O-N 2.83Å
77	R	95.1	Very high	93.4	Very high	124 Å²	124	54.1 Å²	54.1	47%	0.468	28%	0.281	S	S	.	.	H	α-helix	trans	-69.7	-34.3	178.3	-66.7	-67.2	-173.9	168.2	0.5	110.9	T73 A74 W75 A79 K80 A81 A367	T73-R77 WeakPolarHBondContact O-CG 2.38Å; T73-R77 PolarHBondContact O-N 2.88Å; A74-R77 WeakPolarHBondContact O-CB 1.84Å; A74-R77 PolarHBondContact O-N 2.8Å; A74-R77 VanDerWaalsContact O-N 3.13Å; W75-R77 PolarHBondContact O-N 3.33Å; R77-A79 PolarHBondContact O-N 2.52Å; R77-K80 PolarHBondContact O-N 3.34Å; R77-A81 PolarHBondContact O-N 2.42Å; R77-A367 HydrophobicContact CB-CB 3.74Å; R77-A367 HydrophobicContact CG-CB 3.72Å
78	I	96.2	Very high	94.6	Very high	48 Å²	48	50.5 Å²	50.5	25%	0.246	26%	0.258	C	S	.	.	H	α-helix	trans	-66	-41.3	176.6	-69.2	173.4	0	0	0	109.3	L59 A74 W75 L76 K80 A81 L82 V364	L59-I78 HydrophobicContact CD2-CG2 4.35Å; A74-I78 WeakPolarHBondContact O-CG1 2.93Å; A74-I78 PolarHBondContact O-N 2.83Å; W75-I78 HydrophobicContact CD2-CD1 4.16Å; W75-I78 HydrophobicContact CE3-CB 4.4Å; W75-I78 HydrophobicContact CE3-CD1 3.55Å; W75-I78 HydrophobicContact CH2-CD1 4.49Å; W75-I78 HydrophobicContact CZ3-CD1 3.74Å; W75-I78 WeakPolarHBondContact O-CB 3.38Å; W75-I78 PolarHBondContact O-N 2.67Å; W75-I78 VanDerWaalsContact O-N 3.15Å; L76-I78 PolarHBondContact O-N 2.8Å; I78-K80 PolarHBondContact O-N 3.42Å; I78-A81 WeakPolarHBondContact O-CB 3.22Å; I78-A81 PolarHBondContact O-N 2.76Å; I78-A81 VanDerWaalsContact O-N 3.08Å; I78-L82 PolarHBondContact O-N 3.41Å; I78-V364 HydrophobicContact CG1-CG1 4.27Å
79	A	96.3	Very high	95.2	Very high	4 Å²	4	50.4 Å²	50.4	3%	0.033	25%	0.247	C	C	.	.	H	α-helix	trans	-58.9	-41.8	176.9	0	0	0	0	0	111	S56 L59 W75 L76 R77 A81 L82 E83	S56-A79 PolarHBondContact OG-O 3.29Å; L59-A79 HydrophobicContact CB-CB 4.41Å; L59-A79 HydrophobicContact CD2-CB 3.81Å; L59-A79 HydrophobicContact CG-CB 4.12Å; W75-A79 PolarHBondContact O-N 3.35Å; L76-A79 WeakPolarHBondContact O-CB 3.06Å; L76-A79 PolarHBondContact O-N 2.87Å; R77-A79 PolarHBondContact O-N 2.52Å; A79-A81 VanDerWaalsContact C-N 3.27Å; A79-A81 PolarHBondContact O-N 3.41Å; A79-L82 WeakPolarHBondContact O-CB 3.47Å; A79-L82 PolarHBondContact O-N 3.46Å; A79-E83 PolarHBondContact O-N 3.26Å; A79-E83 VanDerWaalsContact O-N 3.14Å
80	K	95.8	Very high	95.6	Very high	103 Å²	103	54.3 Å²	54.3	45%	0.448	26%	0.26	S	S	.	.	H	α-helix	trans	-63.7	-40.1	175.8	-170.9	173.1	180	178.1	0	111.6	L76 R77 I78 L82 E83 M84	L76-K80 PolarHBondContact O-N 2.83Å; R77-K80 PolarHBondContact O-N 3.34Å; I78-K80 PolarHBondContact O-N 3.42Å; K80-L82 PolarHBondContact O-N 3.36Å; K80-E83 WeakPolarHBondContact O-CB 3.27Å; K80-E83 PolarHBondContact O-N 2.81Å; K80-E83 VanDerWaalsContact O-N 3.12Å; K80-M84 HydrophobicContact CG-CG 4.45Å; K80-M84 VanDerWaalsContact O-CG 3.31Å; K80-M84 WeakPolarHBondContact O-CG 3.46Å; K80-M84 PolarHBondContact O-N 2.44Å
81	A	96.3	Very high	95.8	Very high	12 Å²	12	57.5 Å²	57.5	10%	0.099	27%	0.271	C	S	.	.	H	α-helix	trans	-59.6	-39.9	177.8	0	0	0	0	0	110.9	R77 I78 A79 E83 M84 E85 V360 V364	R77-A81 PolarHBondContact O-N 2.42Å; I78-A81 WeakPolarHBondContact O-CB 3.22Å; I78-A81 PolarHBondContact O-N 2.76Å; I78-A81 VanDerWaalsContact O-N 3.08Å; A79-A81 VanDerWaalsContact C-N 3.27Å; A79-A81 PolarHBondContact O-N 3.41Å; A81-E83 PolarHBondContact O-N 2.78Å; A81-M84 PolarHBondContact O-N 3.29Å; A81-E85 WeakPolarHBondContact O-CB 3.09Å; A81-E85 PolarHBondContact O-N 2.79Å; A81-V360 HydrophobicContact CB-CG1 3.4Å; A81-V364 HydrophobicContact CB-CG2 3.57Å
82	L	97.3	Very high	95.9	Very high	42 Å²	42	55.7 Å²	55.7	22%	0.22	26%	0.259	C	S	.	.	H	α-helix	trans	-64	-40.5	178.1	-75	177.8	0	0	0	110.5	L52 L59 I78 A79 K80 M84 E85 S86	L52-L82 HydrophobicContact CD1-CB 4.16Å; L52-L82 HydrophobicContact CD1-CD2 3.31Å; L52-L82 HydrophobicContact CD1-CG 4.25Å; L52-L82 WeakPolarHBondContact CD2-O 3.29Å; L52-L82 HydrophobicContact CG-CB 4.24Å; L52-L82 HydrophobicContact CG-CD2 4.22Å; L52-L82 WeakPolarHBondContact CG-O 3.46Å; L59-L82 HydrophobicContact CD2-CD1 4.44Å; I78-L82 PolarHBondContact O-N 3.41Å; A79-L82 WeakPolarHBondContact O-CB 3.47Å; A79-L82 PolarHBondContact O-N 3.46Å; K80-L82 PolarHBondContact O-N 3.36Å; L82-M84 VanDerWaalsContact C-N 3.3Å; L82-E85 WeakPolarHBondContact O-CB 3.37Å; L82-E85 PolarHBondContact O-N 3.45Å; L82-S86 PolarHBondContact O-N 2.85Å
83	E	97.1	Very high	96.1	Very high	65 Å²	65	54.5 Å²	54.5	30%	0.304	25%	0.254	S	S	.	.	H	α-helix	trans	-63.6	-44.6	177.9	-174.7	176	-179.2	0	0	111.1	A79 K80 A81 E85 S86 K87	A79-E83 PolarHBondContact O-N 3.26Å; A79-E83 VanDerWaalsContact O-N 3.14Å; K80-E83 WeakPolarHBondContact O-CB 3.27Å; K80-E83 PolarHBondContact O-N 2.81Å; K80-E83 VanDerWaalsContact O-N 3.12Å; A81-E83 PolarHBondContact O-N 2.78Å; E83-E85 PolarHBondContact O-N 3.32Å; E83-S86 VanDerWaalsContact O-CB 3.28Å; E83-S86 WeakPolarHBondContact O-CB 3.31Å; E83-S86 PolarHBondContact O-N 2.89Å; E83-S86 VanDerWaalsContact O-N 3.16Å; E83-K87 WeakPolarHBondContact O-CG 3.24Å; E83-K87 PolarHBondContact O-N 2.74Å
84	M	96.5	Very high	96.3	Very high	54 Å²	54	55.6 Å²	55.6	27%	0.266	26%	0.255	S	S	.	.	H	α-helix	trans	-62.9	-40	178.7	-69.7	-56.7	-66.8	0	0	111.1	K80 A81 L82 S86 K87 L88 V360	K80-M84 HydrophobicContact CG-CG 4.45Å; K80-M84 VanDerWaalsContact O-CG 3.31Å; K80-M84 WeakPolarHBondContact O-CG 3.46Å; K80-M84 PolarHBondContact O-N 2.44Å; A81-M84 PolarHBondContact O-N 3.29Å; L82-M84 VanDerWaalsContact C-N 3.3Å; M84-S86 PolarHBondContact O-N 3.49Å; M84-K87 PolarHBondContact O-N 3.25Å; M84-K87 HydrophobicContact SD-CD 4.33Å; M84-L88 VanDerWaalsContact O-CG 3.26Å; M84-L88 WeakPolarHBondContact O-CG 3.48Å; M84-L88 PolarHBondContact O-N 3.34Å; M84-V360 HydrophobicContact CB-CG2 3.81Å; M84-V360 HydrophobicContact CG-CG2 4.21Å
85	E	96.4	Very high	96.3	Very high	32 Å²	32	56.7 Å²	56.7	15%	0.15	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-39.3	175.7	-177.1	175.9	177.6	0	0	110.6	Y48 L52 A81 L82 E83 K87 L88 H89 W357	Y48-E85 PolarHBondContact OH-OE1 3.5Å; L52-E85 HydrophobicContact CD2-CB 3.21Å; L52-E85 VanDerWaalsContact CD2-CD 3.45Å; L52-E85 HydrophobicContact CD2-CG 3.25Å; A81-E85 WeakPolarHBondContact O-CB 3.09Å; A81-E85 PolarHBondContact O-N 2.79Å; L82-E85 WeakPolarHBondContact O-CB 3.37Å; L82-E85 PolarHBondContact O-N 3.45Å; E83-E85 PolarHBondContact O-N 3.32Å; E85-K87 VanDerWaalsContact C-N 3.27Å; E85-K87 PolarHBondContact O-N 2.83Å; E85-L88 WeakPolarHBondContact O-CB 3.48Å; E85-L88 PolarHBondContact O-N 2.83Å; E85-H89 PolarHBondContact O-CD2 3.19Å; E85-H89 PolarHBondContact O-N 3.49Å; E85-H89 IonicContact OE1-NE2 3.06Å; E85-W357 HydrophobicContact CB-CE3 4.13Å; E85-W357 HydrophobicContact CB-CH2 3.45Å; E85-W357 VanDerWaalsContact CB-CH2 3.45Å; E85-W357 HydrophobicContact CB-CZ3 3.16Å; E85-W357 HydrophobicContact CG-CE3 4.4Å; E85-W357 HydrophobicContact CG-CH2 3.61Å; E85-W357 HydrophobicContact CG-CZ2 4.32Å; E85-W357 HydrophobicContact CG-CZ3 3.66Å; E85-W357 WeakPolarHBondContact OE2-CH2 3.47Å
86	S	97.5	Very high	96.4	Very high	6 Å²	6	50.6 Å²	50.6	4%	0.042	24%	0.236	C	C	.	.	H	α-helix	trans	-61.4	-46.9	177.5	170	0	0	0	0	110.7	S49 L82 E83 M84 L88 H89 E90	S49-S86 WeakPolarHBondContact CB-O 3.5Å; S49-S86 WeakPolarHBondContact O-CB 3.49Å; S49-S86 PolarHBondContact O-OG 2.49Å; S49-S86 PolarHBondContact OG-O 3.27Å; S49-S86 PolarHBondContact OG-OG 2.92Å; L82-S86 PolarHBondContact O-N 2.85Å; E83-S86 VanDerWaalsContact O-CB 3.28Å; E83-S86 WeakPolarHBondContact O-CB 3.31Å; E83-S86 PolarHBondContact O-N 2.89Å; E83-S86 VanDerWaalsContact O-N 3.16Å; M84-S86 PolarHBondContact O-N 3.49Å; S86-L88 PolarHBondContact O-N 2.8Å; S86-H89 PolarHBondContact O-N 3.42Å; S86-E90 PolarHBondContact O-N 2.89Å
87	K	96.6	Very high	96.4	Very high	109 Å²	109	49.6 Å²	49.6	47%	0.474	23%	0.231	S	C	.	.	H	α-helix	trans	-61.9	-37.2	179.5	-70.8	-176.3	-180	177.2	0	111.4	E83 M84 E85 H89 E90 K91	E83-K87 WeakPolarHBondContact O-CG 3.24Å; E83-K87 PolarHBondContact O-N 2.74Å; M84-K87 PolarHBondContact O-N 3.25Å; M84-K87 HydrophobicContact SD-CD 4.33Å; E85-K87 VanDerWaalsContact C-N 3.27Å; E85-K87 PolarHBondContact O-N 2.83Å; K87-H89 PolarHBondContact O-N 2.83Å; K87-E90 WeakPolarHBondContact O-CB 3.27Å; K87-E90 PolarHBondContact O-N 3.27Å; K87-K91 WeakPolarHBondContact O-CB 3.2Å; K87-K91 PolarHBondContact O-N 3.06Å
88	L	96.7	Very high	96.4	Very high	17 Å²	17	46.8 Å²	46.8	9%	0.089	23%	0.226	C	C	.	.	H	α-helix	trans	-62.7	-43.9	178.5	-72.9	177.1	0	0	0	110.8	M84 E85 S86 E90 K91 I92 T356 W357	M84-L88 VanDerWaalsContact O-CG 3.26Å; M84-L88 WeakPolarHBondContact O-CG 3.48Å; M84-L88 PolarHBondContact O-N 3.34Å; E85-L88 WeakPolarHBondContact O-CB 3.48Å; E85-L88 PolarHBondContact O-N 2.83Å; S86-L88 PolarHBondContact O-N 2.8Å; L88-E90 PolarHBondContact O-N 3.39Å; L88-K91 WeakPolarHBondContact O-CB 3.33Å; L88-K91 PolarHBondContact O-N 2.76Å; L88-I92 VanDerWaalsContact O-CG1 3.31Å; L88-I92 WeakPolarHBondContact O-CG1 3.38Å; L88-I92 PolarHBondContact O-N 3.21Å; L88-T356 HydrophobicContact CD1-CG2 4.42Å; L88-T356 HydrophobicContact CD2-CG2 3.66Å; L88-T356 HydrophobicContact CG-CG2 4.41Å; L88-W357 HydrophobicContact CD1-CB 3.77Å; L88-W357 HydrophobicContact CD1-CD2 4.2Å; L88-W357 HydrophobicContact CD1-CE3 3.53Å; L88-W357 HydrophobicContact CD1-CG 4.35Å; L88-W357 HydrophobicContact CD1-CZ3 4.46Å
89	H	97.1	Very high	96.4	Very high	41 Å²	41	48.5 Å²	48.5	19%	0.19	24%	0.235	C	C	.	.	H	α-helix	trans	-67.5	-34.1	179.7	-80.3	-72.1	0	0	0	110.7	Q45 Y48 E85 S86 K87 K91 I92 V93	Q45-H89 HydrophobicContact CG-CB 3.85Å; Q45-H89 PolarHBondContact NE2-CE1 3.46Å; Q45-H89 PolarHBondContact NE2-ND1 3.49Å; Y48-H89 AromaticContact CD1-CD2 3.52Å; Y48-H89 AromaticContact CD1-CG 3.93Å; Y48-H89 AromaticContact CD1-NE2 3.6Å; Y48-H89 AromaticContact CE1-CD2 3.46Å; Y48-H89 VanDerWaalsContact CE1-CD2 3.46Å; Y48-H89 WeakPolarHBondContact CE1-CD2 3.49Å; Y48-H89 AromaticContact CE1-NE2 3.27Å; Y48-H89 VanDerWaalsContact CE1-NE2 3.27Å; Y48-H89 WeakPolarHBondContact CE1-NE2 3.47Å; E85-H89 PolarHBondContact O-CD2 3.19Å; E85-H89 PolarHBondContact O-N 3.49Å; E85-H89 IonicContact OE1-NE2 3.06Å; S86-H89 PolarHBondContact O-N 3.42Å; K87-H89 PolarHBondContact O-N 2.83Å; H89-K91 PolarHBondContact O-N 3.33Å; H89-I92 PolarHBondContact O-N 3.36Å; H89-V93 WeakPolarHBondContact O-CG2 3.2Å; H89-V93 PolarHBondContact O-N 3.37Å
90	E	96.5	Very high	96.3	Very high	100 Å²	100	48.5 Å²	48.5	47%	0.467	24%	0.235	S	C	.	.	H	α-helix	trans	-63.9	-40.6	174.8	-169.7	173.7	176.9	0	0	111.3	S86 K87 L88 I92 V93 Q94	S86-E90 PolarHBondContact O-N 2.89Å; K87-E90 WeakPolarHBondContact O-CB 3.27Å; K87-E90 PolarHBondContact O-N 3.27Å; L88-E90 PolarHBondContact O-N 3.39Å; E90-I92 PolarHBondContact O-N 3.37Å; E90-V93 PolarHBondContact O-N 3.32Å; E90-Q94 VanDerWaalsContact O-CG 3.25Å; E90-Q94 WeakPolarHBondContact O-CG 3.32Å; E90-Q94 PolarHBondContact O-N 3.42Å
91	K	95.8	Very high	96.3	Very high	102 Å²	102	43.9 Å²	43.9	44%	0.443	22%	0.215	S	C	.	.	H	α-helix	trans	-61.2	-41.6	176.4	-173.4	175.2	179.8	179.6	0	111.6	K87 L88 H89 V93 Q94 N95	K87-K91 WeakPolarHBondContact O-CB 3.2Å; K87-K91 PolarHBondContact O-N 3.06Å; L88-K91 WeakPolarHBondContact O-CB 3.33Å; L88-K91 PolarHBondContact O-N 2.76Å; H89-K91 PolarHBondContact O-N 3.33Å; K91-V93 PolarHBondContact O-N 2.88Å; K91-Q94 PolarHBondContact O-N 3.31Å; K91-N95 WeakPolarHBondContact O-CB 3.32Å; K91-N95 VanDerWaalsContact O-CG 3.28Å; K91-N95 PolarHBondContact O-N 3.13Å
92	I	96.5	Very high	96.3	Very high	10 Å²	10	48.9 Å²	48.9	5%	0.051	23%	0.234	C	C	.	.	H	α-helix	trans	-60.7	-40.8	178.8	-71.1	173.1	0	0	0	109.3	L88 H89 E90 Q94 N95 L96 T353	L88-I92 VanDerWaalsContact O-CG1 3.31Å; L88-I92 WeakPolarHBondContact O-CG1 3.38Å; L88-I92 PolarHBondContact O-N 3.21Å; H89-I92 PolarHBondContact O-N 3.36Å; E90-I92 PolarHBondContact O-N 3.37Å; I92-Q94 VanDerWaalsContact C-N 3.28Å; I92-Q94 PolarHBondContact O-N 3.41Å; I92-N95 PolarHBondContact O-N 2.88Å; I92-L96 HydrophobicContact CG2-CD1 3.81Å; I92-L96 HydrophobicContact CG2-CG 4.18Å; I92-L96 WeakPolarHBondContact O-CB 2.64Å; I92-L96 WeakPolarHBondContact O-CG 3.23Å; I92-L96 PolarHBondContact O-N 3.46Å; I92-T353 HydrophobicContact CD1-CG2 4.08Å; I92-T353 HydrophobicContact CG1-CG2 3.52Å
93	V	97.1	Very high	96.1	Very high	8 Å²	8	49.8 Å²	49.8	5%	0.048	24%	0.243	C	C	.	.	H	α-helix	trans	-65.6	-45.2	-178.4	171.7	0	0	0	0	109.3	C42 Q45 H89 E90 K91 N95 L96 L97	C42-V93 HydrophobicContact CB-CG1 4.13Å; Q45-V93 HydrophobicContact CB-CG2 3.7Å; Q45-V93 HydrophobicContact CG-CG2 3.68Å; H89-V93 WeakPolarHBondContact O-CG2 3.2Å; H89-V93 PolarHBondContact O-N 3.37Å; E90-V93 PolarHBondContact O-N 3.32Å; K91-V93 PolarHBondContact O-N 2.88Å; V93-N95 PolarHBondContact O-N 2.95Å; V93-L96 PolarHBondContact O-N 3.02Å; V93-L97 HydrophobicContact CG1-CD1 3.71Å; V93-L97 HydrophobicContact CG1-CG 4.12Å; V93-L97 WeakPolarHBondContact O-CB 3.43Å; V93-L97 VanDerWaalsContact O-CG 3.28Å; V93-L97 WeakPolarHBondContact O-CG 3.3Å; V93-L97 PolarHBondContact O-N 3.36Å
94	Q	95.9	Very high	96	Very high	87 Å²	87	47 Å²	47	41%	0.407	23%	0.229	S	C	.	.	H	α-helix	trans	-61.4	-42	-179.8	-68.9	-55.2	-36	0	0	111.5	E90 K91 I92 L96 L97 N98	E90-Q94 VanDerWaalsContact O-CG 3.25Å; E90-Q94 WeakPolarHBondContact O-CG 3.32Å; E90-Q94 PolarHBondContact O-N 3.42Å; K91-Q94 PolarHBondContact O-N 3.31Å; I92-Q94 VanDerWaalsContact C-N 3.28Å; I92-Q94 PolarHBondContact O-N 3.41Å; Q94-L96 VanDerWaalsContact C-N 3.25Å; Q94-L96 PolarHBondContact O-N 3.36Å; Q94-L97 PolarHBondContact O-N 3.34Å; Q94-N98 WeakPolarHBondContact O-CB 3.22Å; Q94-N98 PolarHBondContact O-N 3.41Å; Q94-N98 PolarHBondContact O-ND2 3.41Å
95	N	95.7	Very high	96	Very high	33 Å²	33	47.2 Å²	47.2	18%	0.176	23%	0.232	C	C	.	.	H	α-helix	trans	-65.4	-39.1	179.6	-73.4	-13.2	0	0	0	111.5	K91 I92 V93 L97 D99 T349	K91-N95 WeakPolarHBondContact O-CB 3.32Å; K91-N95 VanDerWaalsContact O-CG 3.28Å; K91-N95 PolarHBondContact O-N 3.13Å; I92-N95 PolarHBondContact O-N 2.88Å; V93-N95 PolarHBondContact O-N 2.95Å; N95-L97 VanDerWaalsContact C-N 3.3Å; N95-D99 WeakPolarHBondContact O-CA 3.2Å; N95-D99 WeakPolarHBondContact O-CB 3.07Å; N95-D99 PolarHBondContact O-N 3.36Å; N95-T349 HydrophobicContact CB-CG2 3.55Å
96	L	96.4	Very high	95.9	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-73.3	-34.4	-178.1	-71.3	-179.8	0	0	0	110.3	K41 C42 I92 V93 Q94 N98 L100 I101 Y346 T349	K41-L96 HydrophobicContact CD-CD1 4.42Å; C42-L96 VanDerWaalsContact SG-CB 3.6Å; I92-L96 HydrophobicContact CG2-CD1 3.81Å; I92-L96 HydrophobicContact CG2-CG 4.18Å; I92-L96 WeakPolarHBondContact O-CB 2.64Å; I92-L96 WeakPolarHBondContact O-CG 3.23Å; I92-L96 PolarHBondContact O-N 3.46Å; V93-L96 PolarHBondContact O-N 3.02Å; Q94-L96 VanDerWaalsContact C-N 3.25Å; Q94-L96 PolarHBondContact O-N 3.36Å; L96-N98 VanDerWaalsContact C-N 3.34Å; L96-L100 HydrophobicContact CD2-CD2 4.16Å; L96-L100 WeakPolarHBondContact O-CA 3.44Å; L96-L100 WeakPolarHBondContact O-CB 3.17Å; L96-L100 PolarHBondContact O-N 3.09Å; L96-I101 PolarHBondContact O-N 3.4Å; L96-Y346 HydrophobicContact CD2-CD2 3.89Å; L96-T349 HydrophobicContact CD2-CG2 4.42Å
97	L	96.2	Very high	95.7	Very high	45 Å²	45	51.7 Å²	51.7	24%	0.236	26%	0.256	C	S	.	.	I	π-helix	trans	-70.4	-40.6	-179.1	-77.4	177.5	0	0	0	110.3	C42 V93 Q94 N95 I101 K102	C42-L97 HydrophobicContact CB-CD2 4.3Å; V93-L97 HydrophobicContact CG1-CD1 3.71Å; V93-L97 HydrophobicContact CG1-CG 4.12Å; V93-L97 WeakPolarHBondContact O-CB 3.43Å; V93-L97 VanDerWaalsContact O-CG 3.28Å; V93-L97 WeakPolarHBondContact O-CG 3.3Å; V93-L97 PolarHBondContact O-N 3.36Å; Q94-L97 PolarHBondContact O-N 3.34Å; N95-L97 VanDerWaalsContact C-N 3.3Å; L97-I101 HydrophobicContact CD2-CD1 3.28Å; L97-I101 HydrophobicContact CD2-CG1 4.43Å; L97-I101 HydrophobicContact CG-CD1 4.38Å; L97-K102 WeakPolarHBondContact O-CG 3.46Å; L97-K102 PolarHBondContact O-N 3.34Å; L97-K102 VanDerWaalsContact O-N 3.13Å
98	N	94.9	Very high	95.6	Very high	65 Å²	65	46.6 Å²	46.6	35%	0.348	23%	0.234	S	C	.	.	I	π-helix	trans	-84.3	-37	-174.6	-68.6	-26.2	0	0	0	111.6	Q94 L96 K102 P103	Q94-N98 WeakPolarHBondContact O-CB 3.22Å; Q94-N98 PolarHBondContact O-N 3.41Å; Q94-N98 PolarHBondContact O-ND2 3.41Å; L96-N98 VanDerWaalsContact C-N 3.34Å; N98-K102 WeakPolarHBondContact OD1-CE 2.93Å; N98-K102 PolarHBondContact OD1-NZ 3.2Å; N98-P103 VanDerWaalsContact O-CD 3.26Å; N98-P103 WeakPolarHBondContact O-CD 3.46Å
99	D	94.8	Very high	95.5	Very high	84 Å²	84	50.6 Å²	50.6	45%	0.449	25%	0.252	S	S	.	.	I	π-helix	trans	-100.8	-12.5	-168.9	-65.6	-26	0	0	0	110.2	N95 P103 V345	N95-D99 WeakPolarHBondContact O-CA 3.2Å; N95-D99 WeakPolarHBondContact O-CB 3.07Å; N95-D99 PolarHBondContact O-N 3.36Å; D99-P103 VanDerWaalsContact O-CG 3.32Å; D99-P103 WeakPolarHBondContact O-CG 3.38Å; D99-V345 HydrophobicContact CB-CG1 3.55Å
100	L	95.1	Very high	95.2	Very high	4 Å²	4	51 Å²	51	2%	0.021	26%	0.258	C	S	.	.	I	π-helix	trans	-120.6	-55	-176.7	179	72.3	0	0	0	109.3	F38 L96 P103 L104 G342	F38-L100 HydrophobicContact CB-CD2 3.96Å; F38-L100 HydrophobicContact CD1-CD2 3.4Å; F38-L100 VanDerWaalsContact CD1-CD2 3.4Å; F38-L100 HydrophobicContact CD2-CD2 3.69Å; F38-L100 HydrophobicContact CE1-CD2 3.71Å; F38-L100 HydrophobicContact CE2-CD2 3.97Å; F38-L100 HydrophobicContact CG-CD2 3.4Å; F38-L100 HydrophobicContact CZ-CD2 3.98Å; L96-L100 HydrophobicContact CD2-CD2 4.16Å; L96-L100 WeakPolarHBondContact O-CA 3.44Å; L96-L100 WeakPolarHBondContact O-CB 3.17Å; L96-L100 PolarHBondContact O-N 3.09Å; L100-P103 WeakPolarHBondContact O-CD 3.14Å; L100-L104 HydrophobicContact CD1-CD1 4.17Å; L100-L104 HydrophobicContact CG-CD1 4.09Å; L100-L104 WeakPolarHBondContact O-CB 3.23Å; L100-L104 WeakPolarHBondContact O-CG 3.44Å; L100-L104 PolarHBondContact O-N 3.42Å; L100-L104 VanDerWaalsContact O-N 3.12Å; L100-G342 WeakPolarHBondContact CD1-O 3.21Å
101	I	95.8	Very high	95	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.031	24%	0.236	C	C	.	.	I	π-helix	trans	-72	-41.6	-170.8	-71.1	176.5	0	0	0	109.2	M35 F38 Q39 L96 L97 L104 N105	M35-I101 HydrophobicContact CG-CG2 4.11Å; F38-I101 HydrophobicContact CB-CG1 4.39Å; Q39-I101 HydrophobicContact CB-CD1 4.2Å; L96-I101 PolarHBondContact O-N 3.4Å; L97-I101 HydrophobicContact CD2-CD1 3.28Å; L97-I101 HydrophobicContact CD2-CG1 4.43Å; L97-I101 HydrophobicContact CG-CD1 4.38Å; I101-L104 PolarHBondContact O-N 2.9Å; I101-N105 WeakPolarHBondContact O-CB 3.44Å; I101-N105 PolarHBondContact O-N 2.83Å
102	K	95.4	Very high	94.7	Very high	117 Å²	117	46.1 Å²	46.1	51%	0.509	24%	0.235	S	C	.	.	H	α-helix	trans	-63.9	-47.8	-178.1	-76.8	-175.4	-177.2	178.2	0	111	L97 N98 L104 N105 N106	L97-K102 WeakPolarHBondContact O-CG 3.46Å; L97-K102 PolarHBondContact O-N 3.34Å; L97-K102 VanDerWaalsContact O-N 3.13Å; N98-K102 WeakPolarHBondContact OD1-CE 2.93Å; N98-K102 PolarHBondContact OD1-NZ 3.2Å; K102-L104 VanDerWaalsContact C-N 3.27Å; K102-L104 PolarHBondContact O-N 3.27Å; K102-N105 PolarHBondContact O-N 2.72Å; K102-N106 PolarHBondContact O-N 3.43Å
103	P	95.2	Very high	94.5	Very high	61 Å²	61	52.8 Å²	52.8	40%	0.396	26%	0.26	S	S	.	.	H	α-helix	trans	-64	-38.3	178.2	-26.3	34.1	0	0	0	111.6	N98 D99 L100 N105 N106 L107	N98-P103 VanDerWaalsContact O-CD 3.26Å; N98-P103 WeakPolarHBondContact O-CD 3.46Å; D99-P103 VanDerWaalsContact O-CG 3.32Å; D99-P103 WeakPolarHBondContact O-CG 3.38Å; L100-P103 WeakPolarHBondContact O-CD 3.14Å; P103-N105 PolarHBondContact O-N 3.19Å; P103-N106 PolarHBondContact O-N 2.93Å; P103-L107 WeakPolarHBondContact O-CB 3.28Å; P103-L107 PolarHBondContact O-N 2.83Å
104	L	94.9	Very high	94.2	Very high	5 Å²	5	53.9 Å²	53.9	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-66.6	-37.3	178.9	-73.3	-179.2	0	0	0	110.7	T31 M35 L100 I101 K102 N106 L107 I108 L339	T31-L104 HydrophobicContact CG2-CD2 4.16Å; M35-L104 HydrophobicContact CB-CD1 4.44Å; L100-L104 HydrophobicContact CD1-CD1 4.17Å; L100-L104 HydrophobicContact CG-CD1 4.09Å; L100-L104 WeakPolarHBondContact O-CB 3.23Å; L100-L104 WeakPolarHBondContact O-CG 3.44Å; L100-L104 PolarHBondContact O-N 3.42Å; L100-L104 VanDerWaalsContact O-N 3.12Å; I101-L104 PolarHBondContact O-N 2.9Å; K102-L104 VanDerWaalsContact C-N 3.27Å; K102-L104 PolarHBondContact O-N 3.27Å; L104-N106 VanDerWaalsContact C-N 3.29Å; L104-N106 PolarHBondContact O-N 2.99Å; L104-L107 WeakPolarHBondContact O-CB 3.35Å; L104-L107 PolarHBondContact O-N 3.35Å; L104-I108 VanDerWaalsContact O-CG1 3.24Å; L104-I108 WeakPolarHBondContact O-CG1 3.49Å; L104-I108 PolarHBondContact O-N 3.32Å; L104-L339 HydrophobicContact CD2-CD2 4.25Å
105	N	95.2	Very high	93.9	Very high	60 Å²	60	51.8 Å²	51.8	32%	0.321	26%	0.255	S	S	.	.	H	α-helix	trans	-64.5	-44.1	177.7	-95.2	-24.3	0	0	0	111	M35 I101 K102 P103 L107 I108 E109	M35-N105 WeakPolarHBondContact CE-OD1 3.14Å; M35-N105 HydrophobicContact SD-CB 3.98Å; M35-N105 PolarHBondContact SD-OD1 3.46Å; I101-N105 WeakPolarHBondContact O-CB 3.44Å; I101-N105 PolarHBondContact O-N 2.83Å; K102-N105 PolarHBondContact O-N 2.72Å; P103-N105 PolarHBondContact O-N 3.19Å; N105-L107 PolarHBondContact O-N 3.34Å; N105-I108 PolarHBondContact O-N 2.87Å; N105-E109 WeakPolarHBondContact O-CG 3.48Å; N105-E109 PolarHBondContact O-N 2.98Å
106	N	94.4	Very high	93.6	Very high	111 Å²	111	58.2 Å²	58.2	59%	0.594	28%	0.281	S	S	*	.	H	α-helix	trans	-59.9	-37.6	176.1	-71.4	-18.1	0	0	0	111.9	K102 P103 L104 I108 E109 T110	K102-N106 PolarHBondContact O-N 3.43Å; P103-N106 PolarHBondContact O-N 2.93Å; L104-N106 VanDerWaalsContact C-N 3.29Å; L104-N106 PolarHBondContact O-N 2.99Å; N106-I108 VanDerWaalsContact C-N 3.29Å; N106-I108 PolarHBondContact O-N 3.44Å; N106-E109 PolarHBondContact O-N 3.27Å; N106-T110 PolarHBondContact O-N 3.44Å; N106-T110 VanDerWaalsContact O-N 3.07Å; N106-T110 PolarHBondContact O-OG1 3.46Å
107	L	93.9	Very high	93.3	Very high	21 Å²	21	61.1 Å²	61.1	11%	0.11	30%	0.302	C	S	.	.	H	α-helix	trans	-67.1	-40.1	178.8	-178.5	70.2	0	0	0	111	P103 L104 N105 E109 T110 F111 R335 S338	P103-L107 WeakPolarHBondContact O-CB 3.28Å; P103-L107 PolarHBondContact O-N 2.83Å; L104-L107 WeakPolarHBondContact O-CB 3.35Å; L104-L107 PolarHBondContact O-N 3.35Å; N105-L107 PolarHBondContact O-N 3.34Å; L107-E109 PolarHBondContact O-N 3.5Å; L107-T110 PolarHBondContact O-N 3.22Å; L107-F111 HydrophobicContact CB-CD2 4.44Å; L107-F111 HydrophobicContact CB-CE2 4.36Å; L107-F111 HydrophobicContact CD1-CD2 3.78Å; L107-F111 HydrophobicContact CD1-CE2 3.07Å; L107-F111 HydrophobicContact CD1-CZ 4Å; L107-F111 HydrophobicContact CD2-CD2 4.32Å; L107-F111 HydrophobicContact CD2-CE2 3.59Å; L107-F111 HydrophobicContact CG-CD2 3.43Å; L107-F111 VanDerWaalsContact CG-CD2 3.43Å; L107-F111 HydrophobicContact CG-CE2 2.99Å; L107-F111 HydrophobicContact CG-CZ 4.21Å; L107-F111 WeakPolarHBondContact O-CD2 3.34Å; L107-F111 PolarHBondContact O-N 2.96Å; L107-R335 HydrophobicContact CD2-CB 4.28Å; L107-R335 HydrophobicContact CD2-CG 4.09Å; L107-S338 VanDerWaalsContact CD2-CB 3.49Å
108	I	94.4	Very high	93.1	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-65.7	-39.3	-179	-74.3	173.8	0	0	0	109	T31 Q32 M35 L104 N105 N106 T110 F111 K112	T31-I108 HydrophobicContact CG2-CD1 4.08Å; T31-I108 HydrophobicContact CG2-CG1 3.85Å; Q32-I108 HydrophobicContact CB-CD1 4.15Å; M35-I108 HydrophobicContact CE-CD1 3.73Å; M35-I108 HydrophobicContact SD-CD1 3.9Å; L104-I108 VanDerWaalsContact O-CG1 3.24Å; L104-I108 WeakPolarHBondContact O-CG1 3.49Å; L104-I108 PolarHBondContact O-N 3.32Å; N105-I108 PolarHBondContact O-N 2.87Å; N106-I108 VanDerWaalsContact C-N 3.29Å; N106-I108 PolarHBondContact O-N 3.44Å; I108-T110 VanDerWaalsContact C-N 3.3Å; I108-T110 PolarHBondContact O-N 2.93Å; I108-F111 WeakPolarHBondContact O-CB 3.35Å; I108-F111 PolarHBondContact O-N 3.27Å; I108-F111 VanDerWaalsContact O-N 3.17Å; I108-K112 HydrophobicContact CG2-CD 4.19Å; I108-K112 HydrophobicContact CG2-CG 4.32Å; I108-K112 WeakPolarHBondContact O-CG 2.98Å; I108-K112 PolarHBondContact O-N 3.34Å
109	E	93.2	Very high	92.9	Very high	100 Å²	100	60.7 Å²	60.7	47%	0.467	30%	0.295	S	S	.	.	H	α-helix	trans	-65.6	-40.4	179.6	-69.8	-56.9	138.8	0	0	111.1	N105 N106 L107 F111 K112 R113	N105-E109 WeakPolarHBondContact O-CG 3.48Å; N105-E109 PolarHBondContact O-N 2.98Å; N106-E109 PolarHBondContact O-N 3.27Å; L107-E109 PolarHBondContact O-N 3.5Å; E109-F111 PolarHBondContact O-N 2.84Å; E109-K112 PolarHBondContact O-N 2.95Å; E109-R113 PolarHBondContact O-N 3.32Å
110	T	91.7	Very high	92.8	Very high	51 Å²	51	64.3 Å²	64.3	31%	0.313	31%	0.307	S	S	.	.	H	α-helix	trans	-63.7	-35.3	176.8	-58.5	0	0	0	0	111	N106 L107 I108 K112 R113 D114	N106-T110 PolarHBondContact O-N 3.44Å; N106-T110 VanDerWaalsContact O-N 3.07Å; N106-T110 PolarHBondContact O-OG1 3.46Å; L107-T110 PolarHBondContact O-N 3.22Å; I108-T110 VanDerWaalsContact C-N 3.3Å; I108-T110 PolarHBondContact O-N 2.93Å; T110-K112 VanDerWaalsContact C-N 3.31Å; T110-K112 PolarHBondContact O-N 3.38Å; T110-R113 PolarHBondContact O-N 3.35Å; T110-D114 PolarHBondContact O-N 2.87Å; T110-D114 VanDerWaalsContact O-N 3.08Å
111	F	91.4	Very high	92.7	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.009	32%	0.315	C	S	.	.	H	α-helix	trans	-71.2	-39.7	-179.2	-87	-78.9	0	0	0	110.3	Y24 I28 L107 I108 E109 R113 D114 K115 L331 R335	Y24-F111 HydrophobicContact CE1-CD1 4.13Å; Y24-F111 AromaticContact CE2-CD1 3.3Å; Y24-F111 HydrophobicContact CE2-CD1 3.3Å; Y24-F111 AromaticContact CE2-CE1 3.38Å; Y24-F111 HydrophobicContact CE2-CE1 3.38Å; Y24-F111 AromaticContact CZ-CD1 3.03Å; Y24-F111 AromaticContact CZ-CE1 3.66Å; Y24-F111 WeakPolarHBondContact OH-CD1 3.25Å; Y24-F111 WeakPolarHBondContact OH-CE1 3.07Å; Y24-F111 VanDerWaalsContact OH-CG 3.31Å; Y24-F111 WeakPolarHBondContact OH-CG 3.2Å; I28-F111 HydrophobicContact CD1-CB 3.84Å; I28-F111 HydrophobicContact CG1-CB 3.98Å; I28-F111 HydrophobicContact CG1-CD1 4.4Å; I28-F111 HydrophobicContact CG1-CG 4.33Å; L107-F111 HydrophobicContact CB-CD2 4.44Å; L107-F111 HydrophobicContact CB-CE2 4.36Å; L107-F111 HydrophobicContact CD1-CD2 3.78Å; L107-F111 HydrophobicContact CD1-CE2 3.07Å; L107-F111 HydrophobicContact CD1-CZ 4Å; L107-F111 HydrophobicContact CD2-CD2 4.32Å; L107-F111 HydrophobicContact CD2-CE2 3.59Å; L107-F111 HydrophobicContact CG-CD2 3.43Å; L107-F111 VanDerWaalsContact CG-CD2 3.43Å; L107-F111 HydrophobicContact CG-CE2 2.99Å; L107-F111 HydrophobicContact CG-CZ 4.21Å; L107-F111 WeakPolarHBondContact O-CD2 3.34Å; L107-F111 PolarHBondContact O-N 2.96Å; I108-F111 WeakPolarHBondContact O-CB 3.35Å; I108-F111 PolarHBondContact O-N 3.27Å; I108-F111 VanDerWaalsContact O-N 3.17Å; E109-F111 PolarHBondContact O-N 2.84Å; F111-R113 PolarHBondContact O-N 3.22Å; F111-D114 PolarHBondContact O-N 3.37Å; F111-K115 WeakPolarHBondContact O-CB 3.1Å; F111-K115 PolarHBondContact O-N 2.78Å; F111-L331 HydrophobicContact CD1-CB 4.13Å; F111-L331 HydrophobicContact CD1-CD1 4.49Å; F111-L331 HydrophobicContact CE1-CB 3.39Å; F111-L331 HydrophobicContact CE1-CD2 4.39Å; F111-L331 HydrophobicContact CE1-CG 4.32Å; F111-L331 VanDerWaalsContact CE1-O 3.26Å; F111-L331 WeakPolarHBondContact CE1-O 3.24Å; F111-L331 HydrophobicContact CZ-CB 4.07Å; F111-L331 WeakPolarHBondContact CZ-O 3.22Å; F111-R335 HydrophobicContact CE1-CB 4.14Å; F111-R335 HydrophobicContact CE2-CB 3.75Å; F111-R335 HydrophobicContact CE2-CG 4.14Å; F111-R335 HydrophobicContact CZ-CB 3.25Å; F111-R335 HydrophobicContact CZ-CG 4.01Å
112	K	91	Very high	92.4	Very high	97 Å²	97	65.3 Å²	65.3	42%	0.422	31%	0.314	S	S	.	.	H	α-helix	trans	-66.7	-36.4	-178.7	-77.4	-176.2	177.4	178.3	0	110.5	I108 E109 T110	I108-K112 HydrophobicContact CG2-CD 4.19Å; I108-K112 HydrophobicContact CG2-CG 4.32Å; I108-K112 WeakPolarHBondContact O-CG 2.98Å; I108-K112 PolarHBondContact O-N 3.34Å; E109-K112 PolarHBondContact O-N 2.95Å; T110-K112 VanDerWaalsContact C-N 3.31Å; T110-K112 PolarHBondContact O-N 3.38Å
113	R	91.7	Very high	92.2	Very high	150 Å²	150	62.7 Å²	62.7	57%	0.566	31%	0.306	S	S	*	.	H	α-helix	trans	-69	-40.3	178.5	-173.1	-177.6	-42.2	112.8	0.8	111.4	E109 T110 F111 K115 S117	E109-R113 PolarHBondContact O-N 3.32Å; T110-R113 PolarHBondContact O-N 3.35Å; F111-R113 PolarHBondContact O-N 3.22Å; R113-K115 VanDerWaalsContact C-N 3.34Å; R113-S117 PolarHBondContact O-N 3.21Å
114	D	90.7	Very high	92.1	Very high	31 Å²	31	67.5 Å²	67.5	17%	0.166	32%	0.321	C	S	.	.	H	α-helix	trans	-79.3	-28.7	-175.8	-74.9	-8.9	0	0	0	110.9	T110 F111 K116 S117 L118 H327 L331	T110-D114 PolarHBondContact O-N 2.87Å; T110-D114 VanDerWaalsContact O-N 3.08Å; F111-D114 PolarHBondContact O-N 3.37Å; D114-K116 PolarHBondContact O-N 2.46Å; D114-S117 VanDerWaalsContact C-OG 3.31Å; D114-S117 VanDerWaalsContact CA-OG 3.26Å; D114-S117 WeakPolarHBondContact CA-OG 3.02Å; D114-S117 PolarHBondContact O-N 3.41Å; D114-S117 PolarHBondContact O-OG 2.84Å; D114-L118 HydrophobicContact CB-CD1 3.62Å; D114-L118 WeakPolarHBondContact O-CB 3.41Å; D114-L118 WeakPolarHBondContact O-CD1 3.33Å; D114-L118 WeakPolarHBondContact O-CG 3.17Å; D114-L118 PolarHBondContact O-N 3.3Å; D114-H327 IonicContact OD2-NE2 2.12Å; D114-L331 HydrophobicContact CB-CD1 3.62Å
115	K	89.5	Confident	92	Very high	42 Å²	42	68.9 Å²	68.9	18%	0.183	33%	0.327	C	S	.	.	H	α-helix	trans	-60.9	-40.5	179	179.6	-176.5	170.1	-177.7	0	110.3	Y21 Y24 K25 I28 F111 R113 S117 L118 K119	Y21-K115 HydrophobicContact CE2-CG 3.61Å; Y21-K115 VanDerWaalsContact CZ-CE 3.47Å; Y21-K115 WeakPolarHBondContact OH-CE 3.24Å; Y21-K115 WeakPolarHBondContact OH-CG 3.28Å; Y24-K115 HydrophobicContact CD1-CG 4.33Å; Y24-K115 HydrophobicContact CE1-CB 3.85Å; Y24-K115 HydrophobicContact CE1-CG 4.15Å; K25-K115 VanDerWaalsContact CG-NZ 3.35Å; I28-K115 HydrophobicContact CD1-CD 4.18Å; F111-K115 WeakPolarHBondContact O-CB 3.1Å; F111-K115 PolarHBondContact O-N 2.78Å; R113-K115 VanDerWaalsContact C-N 3.34Å; K115-S117 VanDerWaalsContact C-N 3.27Å; K115-S117 PolarHBondContact O-N 2.75Å; K115-L118 PolarHBondContact O-N 2.96Å; K115-K119 PolarHBondContact O-N 2.87Å
116	K	89.4	Confident	91.8	Very high	169 Å²	169	66.7 Å²	66.7	74%	0.735	32%	0.316	S	S	*	.	H	α-helix	trans	-73.6	-34.5	-177.8	-74.2	-177.6	-176.1	177.5	0	110.8	D114 L118 K120	D114-K116 PolarHBondContact O-N 2.46Å; K116-L118 VanDerWaalsContact C-N 3.3Å; K116-L118 PolarHBondContact O-N 3.48Å; K116-K120 WeakPolarHBondContact O-CB 3.41Å; K116-K120 PolarHBondContact O-N 3.13Å; K116-K120 VanDerWaalsContact O-N 3.13Å
117	S	90.9	Very high	91.6	Very high	61 Å²	61	65.1 Å²	65.1	43%	0.427	31%	0.314	S	S	.	.	H	α-helix	trans	-72.5	-33.9	-178.2	67.9	0	0	0	0	111.5	R113 D114 K115 C121	R113-S117 PolarHBondContact O-N 3.21Å; D114-S117 VanDerWaalsContact C-OG 3.31Å; D114-S117 VanDerWaalsContact CA-OG 3.26Å; D114-S117 WeakPolarHBondContact CA-OG 3.02Å; D114-S117 PolarHBondContact O-N 3.41Å; D114-S117 PolarHBondContact O-OG 2.84Å; K115-S117 VanDerWaalsContact C-N 3.27Å; K115-S117 PolarHBondContact O-N 2.75Å; S117-C121 WeakPolarHBondContact O-CB 3.33Å; S117-C121 PolarHBondContact O-N 3.18Å; S117-C121 VanDerWaalsContact O-N 3.14Å
118	L	91.4	Very high	91.5	Very high	7 Å²	7	67.5 Å²	67.5	4%	0.037	33%	0.326	C	S	.	.	H	α-helix	trans	-75.2	-39.4	-177.3	-82.5	102	0	0	0	110.2	D114 K115 K116 K120 C121 V122 C324 H327 Q328 L331	D114-L118 HydrophobicContact CB-CD1 3.62Å; D114-L118 WeakPolarHBondContact O-CB 3.41Å; D114-L118 WeakPolarHBondContact O-CD1 3.33Å; D114-L118 WeakPolarHBondContact O-CG 3.17Å; D114-L118 PolarHBondContact O-N 3.3Å; K115-L118 PolarHBondContact O-N 2.96Å; K116-L118 VanDerWaalsContact C-N 3.3Å; K116-L118 PolarHBondContact O-N 3.48Å; L118-K120 VanDerWaalsContact C-N 3.28Å; L118-K120 PolarHBondContact O-N 3.4Å; L118-C121 PolarHBondContact O-N 3.26Å; L118-V122 WeakPolarHBondContact O-CG2 3.42Å; L118-V122 PolarHBondContact O-N 2.88Å; L118-V122 VanDerWaalsContact O-N 3.16Å; L118-C324 HydrophobicContact CD2-CB 4.13Å; L118-C324 WeakPolarHBondContact CD2-O 3.37Å; L118-H327 WeakPolarHBondContact CD1-CD2 3.5Å; L118-H327 HydrophobicContact CD2-CB 4.03Å; L118-H327 VanDerWaalsContact CD2-CD2 3.48Å; L118-H327 WeakPolarHBondContact CD2-CD2 3.29Å; L118-Q328 HydrophobicContact CD2-CG 3.4Å; L118-Q328 VanDerWaalsContact CD2-CG 3.4Å; L118-L331 HydrophobicContact CD1-CD1 4.43Å
119	K	91	Very high	91.3	Very high	94 Å²	94	67.4 Å²	67.4	41%	0.409	33%	0.326	S	S	.	.	H	α-helix	trans	-67.3	-38.9	179.2	-177.9	171.1	-178.6	172.2	0	110.5	Y21 K115 C121 V122 D123	Y21-K119 HydrophobicContact CE1-CD 4.15Å; Y21-K119 HydrophobicContact CE2-CB 4.15Å; K115-K119 PolarHBondContact O-N 2.87Å; K119-C121 PolarHBondContact O-N 3.17Å; K119-V122 PolarHBondContact O-N 3.01Å; K119-D123 WeakPolarHBondContact CG-OD2 3.38Å; K119-D123 WeakPolarHBondContact O-CB 3.28Å; K119-D123 PolarHBondContact O-N 3.41Å
120	K	92.5	Very high	91.2	Very high	159 Å²	159	65.9 Å²	65.9	69%	0.691	32%	0.318	S	S	*	.	H	α-helix	trans	-64.9	-38.5	179.8	-172	177.2	176.9	-179.8	0	111.2	K116 L118 V122 D123 K124	K116-K120 WeakPolarHBondContact O-CB 3.41Å; K116-K120 PolarHBondContact O-N 3.13Å; K116-K120 VanDerWaalsContact O-N 3.13Å; L118-K120 VanDerWaalsContact C-N 3.28Å; L118-K120 PolarHBondContact O-N 3.4Å; K120-V122 VanDerWaalsContact C-N 3.27Å; K120-V122 PolarHBondContact O-N 3.43Å; K120-D123 PolarHBondContact O-N 3.38Å; K120-K124 VanDerWaalsContact O-CB 3.32Å; K120-K124 WeakPolarHBondContact O-CB 3.31Å; K120-K124 PolarHBondContact O-N 3.48Å
121	C	92.2	Very high	91.1	Very high	30 Å²	30	66.2 Å²	66.2	20%	0.203	32%	0.322	C	S	.	.	H	α-helix	trans	-64.3	-41.9	-179.8	178.7	0	0	0	0	111.3	S117 L118 K119 D123 E125 K320	S117-C121 WeakPolarHBondContact O-CB 3.33Å; S117-C121 PolarHBondContact O-N 3.18Å; S117-C121 VanDerWaalsContact O-N 3.14Å; L118-C121 PolarHBondContact O-N 3.26Å; K119-C121 PolarHBondContact O-N 3.17Å; C121-D123 VanDerWaalsContact C-N 3.32Å; C121-E125 PolarHBondContact O-N 3.33Å; C121-K320 WeakPolarHBondContact SG-CD 3.4Å; C121-K320 CovalentContact SG-CE 2.17Å; C121-K320 WeakPolarHBondContact SG-CE 3.19Å; C121-K320 WeakPolarHBondContact SG-CG 3.47Å; C121-K320 PolarHBondContact SG-NZ 3.26Å
122	V	91.2	Very high	91.2	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.006	33%	0.329	C	S	.	.	H	α-helix	trans	-75.2	-35.1	-177.8	172.1	0	0	0	0	109.1	F17 L118 K119 K120 K124 E125 T126 I321 C324	F17-V122 HydrophobicContact CD1-CG1 4.27Å; F17-V122 HydrophobicContact CD2-CG2 4.44Å; F17-V122 HydrophobicContact CE1-CB 4.12Å; F17-V122 HydrophobicContact CE1-CG1 4.06Å; F17-V122 HydrophobicContact CE1-CG2 4.03Å; F17-V122 HydrophobicContact CE2-CG2 3.73Å; F17-V122 HydrophobicContact CZ-CB 4.06Å; F17-V122 HydrophobicContact CZ-CG1 4.39Å; F17-V122 HydrophobicContact CZ-CG2 3.47Å; F17-V122 VanDerWaalsContact CZ-CG2 3.47Å; L118-V122 WeakPolarHBondContact O-CG2 3.42Å; L118-V122 PolarHBondContact O-N 2.88Å; L118-V122 VanDerWaalsContact O-N 3.16Å; K119-V122 PolarHBondContact O-N 3.01Å; K120-V122 VanDerWaalsContact C-N 3.27Å; K120-V122 PolarHBondContact O-N 3.43Å; V122-K124 VanDerWaalsContact C-N 3.31Å; V122-K124 PolarHBondContact O-N 2.91Å; V122-E125 PolarHBondContact O-N 3.27Å; V122-T126 VanDerWaalsContact O-CB 3.3Å; V122-T126 WeakPolarHBondContact O-CB 3.37Å; V122-T126 PolarHBondContact O-N 2.86Å; V122-T126 PolarHBondContact O-OG1 3.25Å; V122-I321 HydrophobicContact CG1-CG1 4.37Å; V122-C324 HydrophobicContact CG2-CB 3.96Å; V122-C324 VanDerWaalsContact CG2-SG 3.51Å
123	D	91.2	Very high	91.2	Very high	62 Å²	62	64.5 Å²	64.5	33%	0.332	32%	0.315	S	S	.	.	H	α-helix	trans	-68.7	-40.3	-179.7	-74.7	-16.9	0	0	0	110.4	R14 K119 K120 C121 E125 T126 S127	R14-D123 IonicContact CZ-OD1 2.98Å; R14-D123 IonicContact NH1-OD1 3.99Å; R14-D123 PolarHBondContact NH1-OD1 3.32Å; R14-D123 IonicContact NH2-OD1 3.63Å; R14-D123 PolarHBondContact NH2-OD1 2.88Å; K119-D123 WeakPolarHBondContact CG-OD2 3.38Å; K119-D123 WeakPolarHBondContact O-CB 3.28Å; K119-D123 PolarHBondContact O-N 3.41Å; K120-D123 PolarHBondContact O-N 3.38Å; C121-D123 VanDerWaalsContact C-N 3.32Å; D123-E125 VanDerWaalsContact C-N 3.3Å; D123-E125 PolarHBondContact O-N 2.87Å; D123-T126 PolarHBondContact O-N 3.24Å; D123-S127 WeakPolarHBondContact O-CB 3.35Å; D123-S127 PolarHBondContact O-N 2.28Å
124	K	92.9	Very high	91.1	Very high	163 Å²	163	63.9 Å²	63.9	71%	0.709	32%	0.319	S	S	*	.	H	α-helix	trans	-59.6	-45.2	177.7	-176.9	179.9	176.6	-179.3	0	111.6	K120 V122 T126 S127 N128	K120-K124 VanDerWaalsContact O-CB 3.32Å; K120-K124 WeakPolarHBondContact O-CB 3.31Å; K120-K124 PolarHBondContact O-N 3.48Å; V122-K124 VanDerWaalsContact C-N 3.31Å; V122-K124 PolarHBondContact O-N 2.91Å; K124-T126 PolarHBondContact O-N 3.03Å; K124-S127 PolarHBondContact O-N 3.4Å; K124-N128 WeakPolarHBondContact O-CB 3.3Å; K124-N128 PolarHBondContact O-N 3.01Å
125	E	91.3	Very high	91.1	Very high	33 Å²	33	66.6 Å²	66.6	15%	0.154	33%	0.331	C	S	.	.	H	α-helix	trans	-71.7	-32.4	-178.9	-166.6	60.4	-147	0	0	111.4	C121 V122 D123 S127 N128 L129 W317 K320	C121-E125 PolarHBondContact O-N 3.33Å; V122-E125 PolarHBondContact O-N 3.27Å; D123-E125 VanDerWaalsContact C-N 3.3Å; D123-E125 PolarHBondContact O-N 2.87Å; E125-S127 VanDerWaalsContact C-N 3.29Å; E125-N128 PolarHBondContact O-N 3.37Å; E125-L129 WeakPolarHBondContact O-CB 2.86Å; E125-L129 PolarHBondContact O-N 3.44Å; E125-W317 HydrophobicContact CG-CB 3.75Å; E125-W317 HydrophobicContact CG-CG 4.13Å; E125-K320 HydrophobicContact CG-CB 4.46Å
126	T	91	Very high	91.2	Very high	14 Å²	14	67 Å²	67	9%	0.086	33%	0.334	C	S	.	.	H	α-helix	trans	-67.3	-41.7	177.8	-57.7	0	0	0	0	110.1	V122 D123 K124 N128 L129 F130 W317	V122-T126 VanDerWaalsContact O-CB 3.3Å; V122-T126 WeakPolarHBondContact O-CB 3.37Å; V122-T126 PolarHBondContact O-N 2.86Å; V122-T126 PolarHBondContact O-OG1 3.25Å; D123-T126 PolarHBondContact O-N 3.24Å; K124-T126 PolarHBondContact O-N 3.03Å; T126-N128 VanDerWaalsContact C-N 3.28Å; T126-N128 PolarHBondContact O-N 2.75Å; T126-L129 PolarHBondContact O-N 3.25Å; T126-F130 HydrophobicContact CG2-CD2 3.73Å; T126-F130 HydrophobicContact CG2-CE2 3.22Å; T126-F130 HydrophobicContact CG2-CZ 4.14Å; T126-F130 WeakPolarHBondContact O-CD2 3.26Å; T126-F130 PolarHBondContact O-N 3.49Å; T126-W317 PolarHBondContact OG1-NE1 3.11Å; T126-W317 VanDerWaalsContact OG1-NE1 3.11Å
127	S	90.4	Very high	91.2	Very high	79 Å²	79	61.8 Å²	61.8	55%	0.552	31%	0.312	S	S	*	.	H	α-helix	trans	-66.4	-38.1	179	176.7	0	0	0	0	110.5	D123 K124 E125 L129 F130 S131	D123-S127 WeakPolarHBondContact O-CB 3.35Å; D123-S127 PolarHBondContact O-N 2.28Å; K124-S127 PolarHBondContact O-N 3.4Å; E125-S127 VanDerWaalsContact C-N 3.29Å; S127-L129 VanDerWaalsContact C-N 3.28Å; S127-L129 PolarHBondContact O-N 2.92Å; S127-F130 PolarHBondContact O-N 3.45Å; S127-S131 PolarHBondContact O-N 2.83Å
128	N	92.3	Very high	91.2	Very high	71 Å²	71	65 Å²	65	38%	0.38	32%	0.319	S	S	.	.	H	α-helix	trans	-61.8	-40.6	176.1	-174.8	34.1	0	0	0	112	K124 E125 T126 F130 S131 L132	K124-N128 WeakPolarHBondContact O-CB 3.3Å; K124-N128 PolarHBondContact O-N 3.01Å; E125-N128 PolarHBondContact O-N 3.37Å; T126-N128 VanDerWaalsContact C-N 3.28Å; T126-N128 PolarHBondContact O-N 2.75Å; N128-F130 VanDerWaalsContact C-N 3.3Å; N128-F130 PolarHBondContact O-N 3.12Å; N128-S131 PolarHBondContact O-N 3.49Å; N128-L132 WeakPolarHBondContact O-CG 3.41Å; N128-L132 PolarHBondContact O-N 3.33Å; N128-L132 VanDerWaalsContact O-N 3.1Å
129	L	90.6	Very high	91.3	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-66.2	-41.2	179.3	179.6	61.7	0	0	0	111	L12 E125 T126 S127 S131 L132 Y133 A313 R314 W317	L12-L129 HydrophobicContact CD1-CD2 3.44Å; L12-L129 VanDerWaalsContact CD1-CD2 3.44Å; L12-L129 HydrophobicContact CD1-CG 4.28Å; L12-L129 HydrophobicContact CD2-CD2 3.41Å; L12-L129 VanDerWaalsContact CD2-CD2 3.41Å; L12-L129 HydrophobicContact CG-CD2 4.04Å; E125-L129 WeakPolarHBondContact O-CB 2.86Å; E125-L129 PolarHBondContact O-N 3.44Å; T126-L129 PolarHBondContact O-N 3.25Å; S127-L129 VanDerWaalsContact C-N 3.28Å; S127-L129 PolarHBondContact O-N 2.92Å; L129-S131 PolarHBondContact O-N 2.95Å; L129-L132 PolarHBondContact O-N 3.37Å; L129-Y133 HydrophobicContact CD1-CD1 4.38Å; L129-Y133 HydrophobicContact CD1-CE1 3.94Å; L129-Y133 HydrophobicContact CD1-CE2 4.18Å; L129-Y133 HydrophobicContact CD2-CE2 4.39Å; L129-Y133 HydrophobicContact CG-CD2 4.36Å; L129-Y133 HydrophobicContact CG-CE2 4.11Å; L129-Y133 PolarHBondContact O-N 2.94Å; L129-A313 HydrophobicContact CD1-CB 3.92Å; L129-R314 HydrophobicContact CD1-CB 4.12Å; L129-W317 HydrophobicContact CD2-CB 4.14Å; L129-W317 HydrophobicContact CD2-CD2 4.19Å; L129-W317 HydrophobicContact CD2-CG 3.97Å
130	F	90.7	Very high	91.4	Very high	68 Å²	68	64.2 Å²	64.2	30%	0.298	31%	0.314	S	S	.	.	H	α-helix	trans	-64.8	-40.5	179.9	-80.5	-55.1	0	0	0	110.4	P8 C9 L12 T126 S127 N128 L132 Y133 E134	P8-F130 HydrophobicContact CB-CD1 4.48Å; C9-F130 HydrophobicContact CB-CE1 4.15Å; C9-F130 HydrophobicContact CB-CZ 4.43Å; L12-F130 HydrophobicContact CD1-CD1 4.41Å; L12-F130 HydrophobicContact CD1-CE1 3.71Å; L12-F130 HydrophobicContact CD1-CZ 3.82Å; T126-F130 HydrophobicContact CG2-CD2 3.73Å; T126-F130 HydrophobicContact CG2-CE2 3.22Å; T126-F130 HydrophobicContact CG2-CZ 4.14Å; T126-F130 WeakPolarHBondContact O-CD2 3.26Å; T126-F130 PolarHBondContact O-N 3.49Å; S127-F130 PolarHBondContact O-N 3.45Å; N128-F130 VanDerWaalsContact C-N 3.3Å; N128-F130 PolarHBondContact O-N 3.12Å; F130-L132 PolarHBondContact O-N 3.48Å; F130-Y133 PolarHBondContact O-N 3.48Å; F130-E134 PolarHBondContact O-N 2.94Å
131	S	90.7	Very high	91.3	Very high	57 Å²	57	62 Å²	62	40%	0.399	31%	0.306	S	S	.	.	H	α-helix	trans	-62.5	-35.8	179.8	175.2	0	0	0	0	111.1	S127 N128 L129 E134 M135	S127-S131 PolarHBondContact O-N 2.83Å; N128-S131 PolarHBondContact O-N 3.49Å; L129-S131 PolarHBondContact O-N 2.95Å; S131-E134 WeakPolarHBondContact O-CB 3.08Å; S131-E134 PolarHBondContact O-N 2.88Å; S131-M135 WeakPolarHBondContact O-CG 3.23Å; S131-M135 PolarHBondContact O-N 3.36Å; S131-M135 VanDerWaalsContact O-N 3.13Å
132	L	91.7	Very high	91.4	Very high	31 Å²	31	66.2 Å²	66.2	16%	0.162	32%	0.321	C	S	.	.	H	α-helix	trans	-78.6	-31.1	-178.6	-72.6	177.7	0	0	0	111	N128 L129 F130 M135 E136 A313	N128-L132 WeakPolarHBondContact O-CG 3.41Å; N128-L132 PolarHBondContact O-N 3.33Å; N128-L132 VanDerWaalsContact O-N 3.1Å; L129-L132 PolarHBondContact O-N 3.37Å; F130-L132 PolarHBondContact O-N 3.48Å; L132-M135 VanDerWaalsContact CA-CE 3.42Å; L132-M135 HydrophobicContact CB-CE 4Å; L132-M135 HydrophobicContact CD2-CE 2.53Å; L132-M135 HydrophobicContact CD2-SD 4.3Å; L132-M135 HydrophobicContact CG-CE 3.66Å; L132-M135 PolarHBondContact O-N 2.9Å; L132-E136 WeakPolarHBondContact O-CB 3.44Å; L132-E136 PolarHBondContact O-N 3.33Å; L132-A313 HydrophobicContact CB-CB 4.46Å; L132-A313 HydrophobicContact CD1-CB 2.96Å; L132-A313 HydrophobicContact CG-CB 4.27Å
133	Y	91	Very high	91.5	Very high	32 Å²	32	67 Å²	67	13%	0.125	33%	0.325	C	S	.	.	H	α-helix	trans	-66.8	-37.3	173.7	-86.2	-3.5	0	0	0	110.5	P8 L129 F130 M135 E136 F137 A310	P8-Y133 HydrophobicContact CB-CD2 3.67Å; P8-Y133 HydrophobicContact CB-CG 4.3Å; L129-Y133 HydrophobicContact CD1-CD1 4.38Å; L129-Y133 HydrophobicContact CD1-CE1 3.94Å; L129-Y133 HydrophobicContact CD1-CE2 4.18Å; L129-Y133 HydrophobicContact CD2-CE2 4.39Å; L129-Y133 HydrophobicContact CG-CD2 4.36Å; L129-Y133 HydrophobicContact CG-CE2 4.11Å; L129-Y133 PolarHBondContact O-N 2.94Å; F130-Y133 PolarHBondContact O-N 3.48Å; Y133-M135 VanDerWaalsContact C-N 3.27Å; Y133-M135 PolarHBondContact O-N 2.68Å; Y133-E136 WeakPolarHBondContact O-CB 2.97Å; Y133-E136 PolarHBondContact O-N 3.19Å; Y133-F137 PolarHBondContact O-N 3.09Å; Y133-A310 HydrophobicContact CD1-CB 3.74Å; Y133-A310 HydrophobicContact CE1-CB 3.78Å
134	E	90.5	Very high	91.6	Very high	138 Å²	138	68.5 Å²	68.5	65%	0.645	33%	0.329	S	S	*	.	H	α-helix	trans	-64.1	-38.4	178.1	-170.6	172.2	-177	0	0	110.6	F130 S131 E136 F137 H138	F130-E134 PolarHBondContact O-N 2.94Å; S131-E134 WeakPolarHBondContact O-CB 3.08Å; S131-E134 PolarHBondContact O-N 2.88Å; E134-E136 VanDerWaalsContact C-N 3.27Å; E134-E136 PolarHBondContact O-N 3.17Å; E134-F137 PolarHBondContact O-N 3.35Å; E134-H138 PolarHBondContact O-N 2.88Å
135	M	91	Very high	91.6	Very high	87 Å²	87	63.6 Å²	63.6	43%	0.429	31%	0.312	S	S	.	.	H	α-helix	trans	-66	-40.6	177.5	-71.9	-173.4	-67.2	0	0	111.2	S131 L132 Y133 F137 H138 A139	S131-M135 WeakPolarHBondContact O-CG 3.23Å; S131-M135 PolarHBondContact O-N 3.36Å; S131-M135 VanDerWaalsContact O-N 3.13Å; L132-M135 VanDerWaalsContact CA-CE 3.42Å; L132-M135 HydrophobicContact CB-CE 4Å; L132-M135 HydrophobicContact CD2-CE 2.53Å; L132-M135 HydrophobicContact CD2-SD 4.3Å; L132-M135 HydrophobicContact CG-CE 3.66Å; L132-M135 PolarHBondContact O-N 2.9Å; Y133-M135 VanDerWaalsContact C-N 3.27Å; Y133-M135 PolarHBondContact O-N 2.68Å; M135-F137 PolarHBondContact O-N 2.92Å; M135-H138 PolarHBondContact O-N 3.17Å; M135-A139 WeakPolarHBondContact O-CB 3.14Å; M135-A139 PolarHBondContact O-N 2.87Å
136	E	91.1	Very high	91.6	Very high	52 Å²	52	63.2 Å²	63.2	24%	0.243	31%	0.313	C	S	.	.	H	α-helix	trans	-61.5	-41.4	177.4	-179.5	-166.3	165.1	0	0	111.2	L132 Y133 E134 H138 A139 R140 Y303 A310	L132-E136 WeakPolarHBondContact O-CB 3.44Å; L132-E136 PolarHBondContact O-N 3.33Å; Y133-E136 WeakPolarHBondContact O-CB 2.97Å; Y133-E136 PolarHBondContact O-N 3.19Å; E134-E136 VanDerWaalsContact C-N 3.27Å; E134-E136 PolarHBondContact O-N 3.17Å; E136-H138 VanDerWaalsContact C-N 3.34Å; E136-A139 PolarHBondContact O-N 3.07Å; E136-R140 WeakPolarHBondContact O-CB 3.46Å; E136-R140 PolarHBondContact O-N 2.92Å; E136-Y303 HydrophobicContact CG-CE2 4.42Å; E136-A310 HydrophobicContact CB-CB 4.42Å; E136-A310 WeakPolarHBondContact OE2-CB 3.03Å
137	F	89.9	Confident	91.7	Very high	59 Å²	59	66.4 Å²	66.4	26%	0.259	33%	0.326	S	S	.	.	H	α-helix	trans	-64.2	-46.3	-179.4	175.4	-101.3	0	0	0	110.1	F2 Y133 E134 M135 A139 R140 H141	F2-F137 HydrophobicContact CD1-CZ 4.05Å; F2-F137 AromaticContact CD2-CZ 4Å; F2-F137 HydrophobicContact CD2-CZ 4Å; F2-F137 HydrophobicContact CE1-CD1 4.37Å; F2-F137 AromaticContact CE1-CE1 3.48Å; F2-F137 HydrophobicContact CE1-CE1 3.48Å; F2-F137 VanDerWaalsContact CE1-CE1 3.48Å; F2-F137 HydrophobicContact CE1-CE2 4.25Å; F2-F137 AromaticContact CE1-CZ 3.41Å; F2-F137 HydrophobicContact CE1-CZ 3.41Å; F2-F137 VanDerWaalsContact CE1-CZ 3.41Å; F2-F137 AromaticContact CE2-CE1 3.63Å; F2-F137 HydrophobicContact CE2-CE1 3.63Å; F2-F137 AromaticContact CE2-CZ 3.35Å; F2-F137 HydrophobicContact CE2-CZ 3.35Å; F2-F137 HydrophobicContact CG-CZ 4.3Å; F2-F137 HydrophobicContact CZ-CD1 4.09Å; F2-F137 AromaticContact CZ-CE1 2.93Å; F2-F137 HydrophobicContact CZ-CE1 2.93Å; F2-F137 HydrophobicContact CZ-CE2 4.22Å; F2-F137 AromaticContact CZ-CZ 3.02Å; F2-F137 HydrophobicContact CZ-CZ 3.02Å; Y133-F137 PolarHBondContact O-N 3.09Å; E134-F137 PolarHBondContact O-N 3.35Å; M135-F137 PolarHBondContact O-N 2.92Å; F137-A139 VanDerWaalsContact C-N 3.25Å; F137-A139 PolarHBondContact O-N 3.21Å; F137-R140 WeakPolarHBondContact O-CB 2.86Å; F137-R140 PolarHBondContact O-N 3.08Å; F137-R140 VanDerWaalsContact O-N 3.13Å; F137-H141 PolarHBondContact O-N 2.87Å
138	H	91.5	Very high	91.8	Very high	127 Å²	127	69.5 Å²	69.5	59%	0.588	33%	0.326	S	S	*	.	H	α-helix	trans	-63.2	-40.8	-180	-160.7	64.1	0	0	0	111.2	E134 M135 E136 R140 H141 K142	E134-H138 PolarHBondContact O-N 2.88Å; M135-H138 PolarHBondContact O-N 3.17Å; E136-H138 VanDerWaalsContact C-N 3.34Å; H138-R140 PolarHBondContact O-N 2.89Å; H138-H141 PolarHBondContact O-N 3.31Å; H138-K142 WeakPolarHBondContact O-CB 3.31Å; H138-K142 PolarHBondContact O-N 2.21Å
139	A	92.8	Very high	91.7	Very high	4 Å²	4	68.1 Å²	68.1	3%	0.033	32%	0.319	C	S	.	.	H	α-helix	trans	-62.7	-35.4	177.2	0	0	0	0	0	111.7	M135 E136 F137 H141 K142 L143 Y303 T306	M135-A139 WeakPolarHBondContact O-CB 3.14Å; M135-A139 PolarHBondContact O-N 2.87Å; E136-A139 PolarHBondContact O-N 3.07Å; F137-A139 VanDerWaalsContact C-N 3.25Å; F137-A139 PolarHBondContact O-N 3.21Å; A139-H141 VanDerWaalsContact C-N 3.35Å; A139-K142 PolarHBondContact O-N 2.36Å; A139-L143 WeakPolarHBondContact O-CB 3.44Å; A139-L143 PolarHBondContact O-N 3.16Å; A139-Y303 HydrophobicContact CB-CD2 4.23Å; A139-T306 HydrophobicContact CB-CG2 4.19Å
140	R	92.8	Very high	91.6	Very high	82 Å²	82	70.5 Å²	70.5	31%	0.309	33%	0.328	S	S	.	.	H	α-helix	trans	-66	-48.1	177.2	-178.8	179.7	174.2	157.2	0.1	110.6	E136 F137 H138 K142 L143 F144 Y303	E136-R140 WeakPolarHBondContact O-CB 3.46Å; E136-R140 PolarHBondContact O-N 2.92Å; F137-R140 WeakPolarHBondContact O-CB 2.86Å; F137-R140 PolarHBondContact O-N 3.08Å; F137-R140 VanDerWaalsContact O-N 3.13Å; H138-R140 PolarHBondContact O-N 2.89Å; R140-K142 PolarHBondContact O-N 2.66Å; R140-L143 WeakPolarHBondContact O-CB 2.99Å; R140-L143 PolarHBondContact O-N 3.08Å; R140-L143 VanDerWaalsContact O-N 3.12Å; R140-F144 HydrophobicContact CB-CE2 4.42Å; R140-F144 HydrophobicContact CG-CD2 3.43Å; R140-F144 VanDerWaalsContact CG-CD2 3.43Å; R140-F144 HydrophobicContact CG-CE2 3.03Å; R140-F144 HydrophobicContact CG-CZ 4.26Å; R140-F144 WeakPolarHBondContact O-CD2 3.33Å; R140-F144 PolarHBondContact O-N 3.22Å; R140-Y303 HydrophobicContact CB-CD2 4.07Å; R140-Y303 HydrophobicContact CB-CE2 3.69Å; R140-Y303 HydrophobicContact CG-CE2 4.14Å
141	H	91.6	Very high	91.6	Very high	111 Å²	111	71.4 Å²	71.4	51%	0.514	33%	0.333	S	S	.	.	H	α-helix	trans	-58.2	-45.4	180	-175.6	68.2	0	0	0	110.7	F137 H138 A139 L143 F144 T145	F137-H141 PolarHBondContact O-N 2.87Å; H138-H141 PolarHBondContact O-N 3.31Å; A139-H141 VanDerWaalsContact C-N 3.35Å; H141-L143 PolarHBondContact O-N 3.41Å; H141-F144 PolarHBondContact O-N 3.2Å; H141-T145 PolarHBondContact O-N 3.26Å; H141-T145 PolarHBondContact O-OG1 3.43Å
142	K	93.3	Very high	91.5	Very high	120 Å²	120	76.4 Å²	76.4	52%	0.522	34%	0.343	S	S	.	.	H	α-helix	trans	-59.5	-41	178.4	-167.7	172.3	178.8	178.2	0	111.5	H138 A139 R140 F144 T145 C146 T299	H138-K142 WeakPolarHBondContact O-CB 3.31Å; H138-K142 PolarHBondContact O-N 2.21Å; A139-K142 PolarHBondContact O-N 2.36Å; R140-K142 PolarHBondContact O-N 2.66Å; K142-F144 VanDerWaalsContact C-N 3.28Å; K142-F144 PolarHBondContact O-N 2.95Å; K142-T145 PolarHBondContact O-N 3.48Å; K142-C146 PolarHBondContact O-N 2.12Å; K142-C146 PolarHBondContact O-SG 3.03Å; K142-T299 HydrophobicContact CD-CG2 4.5Å; K142-T299 HydrophobicContact CG-CG2 4.38Å
143	L	92.7	Very high	91.2	Very high	16 Å²	16	76.7 Å²	76.7	8%	0.084	35%	0.346	C	S	.	.	H	α-helix	trans	-61.8	-44.2	179.1	174.7	70.5	0	0	0	111.1	A139 R140 H141 T145 C146 F147 Y296 L300 Y303	A139-L143 WeakPolarHBondContact O-CB 3.44Å; A139-L143 PolarHBondContact O-N 3.16Å; R140-L143 WeakPolarHBondContact O-CB 2.99Å; R140-L143 PolarHBondContact O-N 3.08Å; R140-L143 VanDerWaalsContact O-N 3.12Å; H141-L143 PolarHBondContact O-N 3.41Å; L143-T145 PolarHBondContact O-N 3.46Å; L143-C146 PolarHBondContact O-N 2.28Å; L143-F147 WeakPolarHBondContact O-CB 3.45Å; L143-F147 PolarHBondContact O-N 3.2Å; L143-Y296 HydrophobicContact CD1-CD2 4.02Å; L143-Y296 HydrophobicContact CD1-CE2 3.73Å; L143-L300 HydrophobicContact CD1-CB 3.91Å; L143-L300 HydrophobicContact CD1-CD1 4.08Å; L143-L300 HydrophobicContact CD2-CD1 4.05Å; L143-Y303 HydrophobicContact CD2-CD1 3.8Å; L143-Y303 HydrophobicContact CD2-CE1 4.33Å; L143-Y303 HydrophobicContact CD2-CG 4.04Å
144	F	93.6	Very high	91	Very high	95 Å²	95	80.6 Å²	80.6	42%	0.417	36%	0.361	S	S	.	.	H	α-helix	trans	-68.4	-35.9	-175.9	-82.2	-82.4	0	0	0	110	R140 H141 K142 F147 R148	R140-F144 HydrophobicContact CB-CE2 4.42Å; R140-F144 HydrophobicContact CG-CD2 3.43Å; R140-F144 VanDerWaalsContact CG-CD2 3.43Å; R140-F144 HydrophobicContact CG-CE2 3.03Å; R140-F144 HydrophobicContact CG-CZ 4.26Å; R140-F144 WeakPolarHBondContact O-CD2 3.33Å; R140-F144 PolarHBondContact O-N 3.22Å; H141-F144 PolarHBondContact O-N 3.2Å; K142-F144 VanDerWaalsContact C-N 3.28Å; K142-F144 PolarHBondContact O-N 2.95Å; F144-F147 WeakPolarHBondContact O-CB 3.45Å; F144-F147 PolarHBondContact O-N 3.29Å; F144-R148 VanDerWaalsContact O-CG 3.23Å; F144-R148 WeakPolarHBondContact O-CG 3.48Å; F144-R148 PolarHBondContact O-N 3.1Å
145	T	93.1	Very high	90.8	Very high	59 Å²	59	80.8 Å²	80.8	36%	0.362	36%	0.356	S	S	.	.	H	α-helix	trans	-66	-47.5	177.8	-60.9	0	0	0	0	110.3	H141 K142 L143 F147 R148 N149	H141-T145 PolarHBondContact O-N 3.26Å; H141-T145 PolarHBondContact O-OG1 3.43Å; K142-T145 PolarHBondContact O-N 3.48Å; L143-T145 PolarHBondContact O-N 3.46Å; T145-F147 PolarHBondContact O-N 3.36Å; T145-R148 PolarHBondContact O-N 3.3Å; T145-R148 VanDerWaalsContact O-N 3.17Å; T145-N149 PolarHBondContact O-N 2.99Å; T145-N149 PolarHBondContact O-ND2 2.35Å
146	C	92.2	Very high	90.5	Very high	26 Å²	26	80.6 Å²	80.6	18%	0.176	36%	0.357	C	S	.	.	H	α-helix	trans	-59.7	-35.7	178.1	-76.1	0	0	0	0	111.3	K142 L143 R148 N149 Y150	K142-C146 PolarHBondContact O-N 2.12Å; K142-C146 PolarHBondContact O-SG 3.03Å; L143-C146 PolarHBondContact O-N 2.28Å; C146-R148 VanDerWaalsContact C-N 3.33Å; C146-N149 PolarHBondContact O-N 3.43Å; C146-Y150 VanDerWaalsContact O-CB 3.26Å; C146-Y150 WeakPolarHBondContact O-CB 2.94Å; C146-Y150 PolarHBondContact O-N 3.42Å
147	F	93.4	Very high	90.1	Very high	81 Å²	81	81.2 Å²	81.2	36%	0.355	36%	0.358	S	S	.	.	H	α-helix	trans	-65.2	-43.3	178.7	175.3	-103.5	0	0	0	110.2	L143 F144 T145 N149 Y150 E151 Y296	L143-F147 WeakPolarHBondContact O-CB 3.45Å; L143-F147 PolarHBondContact O-N 3.2Å; F144-F147 WeakPolarHBondContact O-CB 3.45Å; F144-F147 PolarHBondContact O-N 3.29Å; T145-F147 PolarHBondContact O-N 3.36Å; F147-N149 VanDerWaalsContact C-N 3.29Å; F147-N149 PolarHBondContact O-N 3.4Å; F147-Y150 PolarHBondContact O-N 2.49Å; F147-E151 WeakPolarHBondContact O-CB 3.38Å; F147-E151 PolarHBondContact O-N 3.27Å; F147-Y296 HydrophobicContact CB-CD2 4.18Å; F147-Y296 HydrophobicContact CB-CE2 3.9Å; F147-Y296 HydrophobicContact CD2-CD2 4.38Å; F147-Y296 AromaticContact CD2-CE2 3.69Å; F147-Y296 HydrophobicContact CD2-CE2 3.69Å; F147-Y296 HydrophobicContact CG-CE2 4.27Å
148	R	91.6	Very high	89.5	Confident	143 Å²	143	81.9 Å²	81.9	54%	0.54	36%	0.361	S	S	.	.	H	α-helix	trans	-65.6	-39.7	-178.4	-72.2	-69.3	-175.5	-179.5	-1.1	110.5	F144 T145 C146 Y150 E151 R152	F144-R148 VanDerWaalsContact O-CG 3.23Å; F144-R148 WeakPolarHBondContact O-CG 3.48Å; F144-R148 PolarHBondContact O-N 3.1Å; T145-R148 PolarHBondContact O-N 3.3Å; T145-R148 VanDerWaalsContact O-N 3.17Å; C146-R148 VanDerWaalsContact C-N 3.33Å; R148-Y150 VanDerWaalsContact C-N 3.33Å; R148-E151 IonicContact NH1-OE2 3.5Å; R148-E151 PolarHBondContact O-N 3.37Å; R148-R152 WeakPolarHBondContact O-CB 2.81Å; R148-R152 WeakPolarHBondContact O-CG 3.09Å; R148-R152 PolarHBondContact O-N 2.7Å
149	N	89.7	Confident	88.9	Confident	43 Å²	43	78.6 Å²	78.6	23%	0.23	35%	0.348	C	S	.	.	H	α-helix	trans	-64.5	-44.8	177.2	-70.2	-25	0	0	0	111.5	T145 C146 F147 E151 R152 V153 F292	T145-N149 PolarHBondContact O-N 2.99Å; T145-N149 PolarHBondContact O-ND2 2.35Å; C146-N149 PolarHBondContact O-N 3.43Å; F147-N149 VanDerWaalsContact C-N 3.29Å; F147-N149 PolarHBondContact O-N 3.4Å; N149-E151 VanDerWaalsContact C-N 3.32Å; N149-R152 PolarHBondContact O-N 3Å; N149-V153 VanDerWaalsContact O-CG2 3.26Å; N149-V153 WeakPolarHBondContact O-CG2 3.4Å; N149-V153 PolarHBondContact O-N 2.87Å; N149-F292 HydrophobicContact CB-CD1 4.45Å; N149-F292 HydrophobicContact CB-CE1 4.32Å
150	Y	89.8	Confident	88	Confident	50 Å²	50	82.6 Å²	82.6	20%	0.196	37%	0.365	C	S	.	.	H	α-helix	trans	-59.5	-46.2	177.3	176.1	-120.9	0	0	0	111.5	C146 F147 R148 R152 V153 W154 I289 F292 R293	C146-Y150 VanDerWaalsContact O-CB 3.26Å; C146-Y150 WeakPolarHBondContact O-CB 2.94Å; C146-Y150 PolarHBondContact O-N 3.42Å; F147-Y150 PolarHBondContact O-N 2.49Å; R148-Y150 VanDerWaalsContact C-N 3.33Å; Y150-R152 PolarHBondContact O-N 3.33Å; Y150-V153 PolarHBondContact O-N 2.87Å; Y150-W154 WeakPolarHBondContact O-CB 3.37Å; Y150-W154 PolarHBondContact O-N 2.89Å; Y150-I289 HydrophobicContact CE2-CG2 4.02Å; Y150-F292 HydrophobicContact CD2-CB 3.78Å; Y150-R293 HydrophobicContact CE2-CB 3.96Å
151	E	89.3	Confident	86.9	Confident	86 Å²	86	80 Å²	80	40%	0.402	36%	0.36	S	S	.	.	H	α-helix	trans	-58.4	-41.2	178.9	-172.4	-177.7	-165	0	0	110.9	F147 R148 N149 W154 Y155	F147-E151 WeakPolarHBondContact O-CB 3.38Å; F147-E151 PolarHBondContact O-N 3.27Å; R148-E151 IonicContact NH1-OE2 3.5Å; R148-E151 PolarHBondContact O-N 3.37Å; N149-E151 VanDerWaalsContact C-N 3.32Å; E151-W154 PolarHBondContact O-N 2.84Å; E151-Y155 VanDerWaalsContact O-CB 3.26Å; E151-Y155 WeakPolarHBondContact O-CB 3.05Å; E151-Y155 PolarHBondContact O-N 3.23Å
152	R	89	Confident	86	Confident	163 Å²	163	81.2 Å²	81.2	62%	0.615	36%	0.364	S	S	*	.	H	α-helix	trans	-64.3	-50	-178.5	-76.3	-175.8	-171.6	159.6	1	110.5	R148 N149 Y150 W154 Y155 N156	R148-R152 WeakPolarHBondContact O-CB 2.81Å; R148-R152 WeakPolarHBondContact O-CG 3.09Å; R148-R152 PolarHBondContact O-N 2.7Å; N149-R152 PolarHBondContact O-N 3Å; Y150-R152 PolarHBondContact O-N 3.33Å; R152-W154 PolarHBondContact O-N 3.39Å; R152-Y155 PolarHBondContact O-N 3.4Å; R152-N156 PolarHBondContact O-N 2.32Å; R152-N156 PolarHBondContact O-ND2 3.47Å
153	V	86.5	Confident	84.8	Confident	37 Å²	37	79.2 Å²	79.2	22%	0.224	36%	0.359	C	S	.	.	H	α-helix	trans	-63.9	-40.5	-178.9	174	0	0	0	0	110.1	N149 Y150 Y155 N156 Y157 I289 F292	N149-V153 VanDerWaalsContact O-CG2 3.26Å; N149-V153 WeakPolarHBondContact O-CG2 3.4Å; N149-V153 PolarHBondContact O-N 2.87Å; Y150-V153 PolarHBondContact O-N 2.87Å; V153-Y155 VanDerWaalsContact C-N 3.34Å; V153-N156 PolarHBondContact O-N 2.99Å; V153-Y157 WeakPolarHBondContact O-CB 3.14Å; V153-Y157 PolarHBondContact O-N 3.49Å; V153-I289 HydrophobicContact CG1-CG1 4.01Å; V153-F292 HydrophobicContact CG1-CD2 4.32Å; V153-F292 HydrophobicContact CG2-CD2 4.13Å; V153-F292 HydrophobicContact CG2-CE1 4.49Å; V153-F292 HydrophobicContact CG2-CE2 3.94Å; V153-F292 HydrophobicContact CG2-CZ 4.12Å
154	W	85.5	Confident	83.5	Confident	114 Å²	114	82.3 Å²	82.3	43%	0.432	37%	0.373	S	S	.	.	H	α-helix	trans	-60.7	-51.2	177.4	-168.7	85	0	0	0	111.2	Y150 E151 R152 Y157 H158	Y150-W154 WeakPolarHBondContact O-CB 3.37Å; Y150-W154 PolarHBondContact O-N 2.89Å; E151-W154 PolarHBondContact O-N 2.84Å; R152-W154 PolarHBondContact O-N 3.39Å; W154-Y157 PolarHBondContact O-N 3.3Å; W154-H158 AromaticContact CD2-CD2 3.53Å; W154-H158 AromaticContact CE2-CD2 3.17Å; W154-H158 AromaticContact CE2-NE2 3.32Å; W154-H158 VanDerWaalsContact CE2-NE2 3.32Å; W154-H158 AromaticContact CE3-CD2 3.8Å; W154-H158 AromaticContact CH2-CD2 3.37Å; W154-H158 WeakPolarHBondContact CH2-CD2 3.39Å; W154-H158 AromaticContact CH2-NE2 3.53Å; W154-H158 AromaticContact CZ2-CD2 3.11Å; W154-H158 WeakPolarHBondContact CZ2-CD2 3.08Å; W154-H158 AromaticContact CZ2-NE2 2.95Å; W154-H158 WeakPolarHBondContact CZ2-NE2 3.44Å; W154-H158 AromaticContact CZ3-CD2 3.71Å; W154-H158 AromaticContact NE1-CD2 3.77Å; W154-H158 AromaticContact NE1-NE2 3.72Å; W154-H158 PolarHBondContact O-N 2.77Å; W154-H158 VanDerWaalsContact O-N 3.12Å
155	Y	86.2	Confident	82.1	Confident	142 Å²	142	86.2 Å²	86.2	56%	0.557	39%	0.385	S	S	*	.	H	α-helix	trans	-58.3	0	179.3	-177.9	-101.1	0	0	0	110.1	E151 R152 V153 Y157 H158 I159	E151-Y155 VanDerWaalsContact O-CB 3.26Å; E151-Y155 WeakPolarHBondContact O-CB 3.05Å; E151-Y155 PolarHBondContact O-N 3.23Å; R152-Y155 PolarHBondContact O-N 3.4Å; V153-Y155 VanDerWaalsContact C-N 3.34Å; Y155-Y157 PolarHBondContact O-N 2.45Å; Y155-H158 PolarHBondContact O-N 3.13Å; Y155-I159 HydrophobicContact CD1-CD1 3.35Å; Y155-I159 HydrophobicContact CD1-CG1 4.1Å; Y155-I159 HydrophobicContact CD2-CD1 4.49Å; Y155-I159 HydrophobicContact CE1-CD1 2.62Å; Y155-I159 HydrophobicContact CE1-CG1 3.69Å; Y155-I159 HydrophobicContact CE2-CD1 3.97Å; Y155-I159 HydrophobicContact CE2-CG1 4.29Å; Y155-I159 HydrophobicContact CG-CD1 4.23Å; Y155-I159 WeakPolarHBondContact O-CG1 3.32Å; Y155-I159 PolarHBondContact O-N 3.2Å; Y155-I159 WeakPolarHBondContact OH-CD1 3.26Å
156	N	84.5	Confident	80.7	Confident	82 Å²	82	90.1 Å²	90.1	44%	0.439	40%	0.397	S	S	.	.	H	α-helix		0	-44.3	0	-75.2	-23.2	0	0	0	111.4	R152 V153 H158 Q160	R152-N156 PolarHBondContact O-N 2.32Å; R152-N156 PolarHBondContact O-ND2 3.47Å; V153-N156 PolarHBondContact O-N 2.99Å; N156-H158 VanDerWaalsContact C-N 3.31Å; N156-Q160 WeakPolarHBondContact O-CB 3.49Å; N156-Q160 WeakPolarHBondContact O-CG 3.36Å; N156-Q160 PolarHBondContact O-N 3.23Å
157	Y	83.1	Confident	79.1	Confident	66 Å²	66	95.3 Å²	95.3	26%	0.259	42%	0.418	S	S	.	.	H	α-helix	trans	-58.1	0	177.9	174.7	-101.6	0	0	0	111.4	V153 W154 Y155 S161 K285 V286 I289	V153-Y157 WeakPolarHBondContact O-CB 3.14Å; V153-Y157 PolarHBondContact O-N 3.49Å; W154-Y157 PolarHBondContact O-N 3.3Å; Y155-Y157 PolarHBondContact O-N 2.45Å; Y157-S161 WeakPolarHBondContact O-CB 3.29Å; Y157-S161 PolarHBondContact O-N 3.4Å; Y157-S161 PolarHBondContact O-OG 3.17Å; Y157-K285 HydrophobicContact CD2-CB 4.14Å; Y157-K285 HydrophobicContact CE2-CB 4.13Å; Y157-V286 HydrophobicContact CE2-CG2 4.16Å; Y157-V286 WeakPolarHBondContact OH-CG2 3.02Å; Y157-I289 HydrophobicContact CD1-CD1 3.34Å; Y157-I289 HydrophobicContact CD2-CD1 3.59Å; Y157-I289 HydrophobicContact CE1-CD1 3.89Å; Y157-I289 HydrophobicContact CE2-CD1 4.11Å; Y157-I289 HydrophobicContact CG-CD1 3.18Å; Y157-I289 HydrophobicContact CG-CG1 4.4Å
158	H	77.8	Confident	77.4	Confident	72 Å²	72	96.2 Å²	96.2	33%	0.333	43%	0.427	S	S	.	.	H	α-helix		0	-41.6	0	-97.6	-68.3	0	0	0	110.8	W154 Y155 N156 S161 K162	W154-H158 AromaticContact CD2-CD2 3.53Å; W154-H158 AromaticContact CE2-CD2 3.17Å; W154-H158 AromaticContact CE2-NE2 3.32Å; W154-H158 VanDerWaalsContact CE2-NE2 3.32Å; W154-H158 AromaticContact CE3-CD2 3.8Å; W154-H158 AromaticContact CH2-CD2 3.37Å; W154-H158 WeakPolarHBondContact CH2-CD2 3.39Å; W154-H158 AromaticContact CH2-NE2 3.53Å; W154-H158 AromaticContact CZ2-CD2 3.11Å; W154-H158 WeakPolarHBondContact CZ2-CD2 3.08Å; W154-H158 AromaticContact CZ2-NE2 2.95Å; W154-H158 WeakPolarHBondContact CZ2-NE2 3.44Å; W154-H158 AromaticContact CZ3-CD2 3.71Å; W154-H158 AromaticContact NE1-CD2 3.77Å; W154-H158 AromaticContact NE1-NE2 3.72Å; W154-H158 PolarHBondContact O-N 2.77Å; W154-H158 VanDerWaalsContact O-N 3.12Å; Y155-H158 PolarHBondContact O-N 3.13Å; N156-H158 VanDerWaalsContact C-N 3.31Å; H158-S161 WeakPolarHBondContact CA-OG 3.45Å; H158-S161 PolarHBondContact O-N 3.24Å; H158-S161 PolarHBondContact O-OG 2.73Å; H158-K162 WeakPolarHBondContact O-CG 3.42Å; H158-K162 PolarHBondContact O-N 2.3Å
159	I	79.1	Confident	75.7	Confident	59 Å²	59	93.5 Å²	93.5	30%	0.303	42%	0.423	S	S	.	.	H	α-helix	trans	-61.3	-48.3	177.3	-69.9	-178.1	0	0	0	109	Y155 S161 K162 D163	Y155-I159 HydrophobicContact CD1-CD1 3.35Å; Y155-I159 HydrophobicContact CD1-CG1 4.1Å; Y155-I159 HydrophobicContact CD2-CD1 4.49Å; Y155-I159 HydrophobicContact CE1-CD1 2.62Å; Y155-I159 HydrophobicContact CE1-CG1 3.69Å; Y155-I159 HydrophobicContact CE2-CD1 3.97Å; Y155-I159 HydrophobicContact CE2-CG1 4.29Å; Y155-I159 HydrophobicContact CG-CD1 4.23Å; Y155-I159 WeakPolarHBondContact O-CG1 3.32Å; Y155-I159 PolarHBondContact O-N 3.2Å; Y155-I159 WeakPolarHBondContact OH-CD1 3.26Å; I159-S161 VanDerWaalsContact C-N 3.32Å; I159-K162 PolarHBondContact O-N 3.29Å; I159-D163 PolarHBondContact O-N 2.64Å
160	Q	72.8	Confident	74.1	Confident	87 Å²	87	97.7 Å²	97.7	41%	0.407	44%	0.441	S	S	.	.	H	α-helix	trans	-59.9	-46.3	179	-80.2	179.5	2.1	0	0	110.8	N156 K162 D163 Q164	N156-Q160 WeakPolarHBondContact O-CB 3.49Å; N156-Q160 WeakPolarHBondContact O-CG 3.36Å; N156-Q160 PolarHBondContact O-N 3.23Å; Q160-K162 VanDerWaalsContact C-N 3.27Å; Q160-D163 PolarHBondContact O-N 2.91Å; Q160-Q164 WeakPolarHBondContact O-CB 3.49Å; Q160-Q164 WeakPolarHBondContact O-CG 3.37Å; Q160-Q164 PolarHBondContact O-N 2.85Å
161	S	70.6	Confident	72.4	Confident	28 Å²	28	98.5 Å²	98.5	20%	0.196	45%	0.451	C	S	.	.	H	α-helix	trans	-55.9	0	175.2	60.7	0	0	0	0	111.6	Y157 H158 I159 Q164 R165	Y157-S161 WeakPolarHBondContact O-CB 3.29Å; Y157-S161 PolarHBondContact O-N 3.4Å; Y157-S161 PolarHBondContact O-OG 3.17Å; H158-S161 WeakPolarHBondContact CA-OG 3.45Å; H158-S161 PolarHBondContact O-N 3.24Å; H158-S161 PolarHBondContact O-OG 2.73Å; I159-S161 VanDerWaalsContact C-N 3.32Å; S161-Q164 PolarHBondContact O-N 2.9Å; S161-R165 WeakPolarHBondContact O-CB 3.48Å; S161-R165 PolarHBondContact O-N 2.98Å
162	K	72.9	Confident	70.7	Confident	136 Å²	136	97.7 Å²	97.7	59%	0.591	45%	0.45	S	S	*	.	H	α-helix		0	0	0	-80.6	-173.3	-179.3	179.1	0	110.2	H158 I159 Q160 Q164 R165 K166	H158-K162 WeakPolarHBondContact O-CG 3.42Å; H158-K162 PolarHBondContact O-N 2.3Å; I159-K162 PolarHBondContact O-N 3.29Å; Q160-K162 VanDerWaalsContact C-N 3.27Å; K162-Q164 VanDerWaalsContact C-N 3.34Å; K162-R165 WeakPolarHBondContact O-CB 3.38Å; K162-R165 PolarHBondContact O-N 3.41Å; K162-K166 WeakPolarHBondContact O-CG 3.12Å; K162-K166 PolarHBondContact O-N 3.24Å
163	D	68.6	Low	68.8	Low	78 Å²	78	95.9 Å²	95.9	42%	0.417	45%	0.448	S	S	.	.	H	α-helix		0	-43.9	0	-75.6	-18.6	0	0	0	110.3	I159 Q160 R165 K166 Q167	I159-D163 PolarHBondContact O-N 2.64Å; Q160-D163 PolarHBondContact O-N 2.91Å; D163-R165 VanDerWaalsContact C-N 3.26Å; D163-K166 PolarHBondContact O-N 3.23Å; D163-Q167 WeakPolarHBondContact O-CG 3.06Å; D163-Q167 PolarHBondContact O-N 3.28Å
164	Q	63.4	Low	67.2	Low	82 Å²	82	99.5 Å²	99.5	38%	0.383	47%	0.466	S	S	.	.	H	α-helix	trans	-58.9	-42.8	175.9	-74.1	178.8	23.7	0	0	111.5	Q160 S161 K162 K166 Q167 L168	Q160-Q164 WeakPolarHBondContact O-CB 3.49Å; Q160-Q164 WeakPolarHBondContact O-CG 3.37Å; Q160-Q164 PolarHBondContact O-N 2.85Å; S161-Q164 PolarHBondContact O-N 2.9Å; K162-Q164 VanDerWaalsContact C-N 3.34Å; Q164-K166 VanDerWaalsContact C-N 3.31Å; Q164-Q167 PolarHBondContact O-N 2.8Å; Q164-L168 WeakPolarHBondContact O-CB 3.5Å; Q164-L168 PolarHBondContact O-N 3.23Å
165	R	64.2	Low	65.3	Low	177 Å²	177	98.6 Å²	98.6	67%	0.668	47%	0.469	S	S	*	.	H	α-helix	trans	-64.5	-39.4	179.2	-96	-176.8	-155.2	176.8	0.4	111.2	S161 K162 D163 L168 N169	S161-R165 WeakPolarHBondContact O-CB 3.48Å; S161-R165 PolarHBondContact O-N 2.98Å; K162-R165 WeakPolarHBondContact O-CB 3.38Å; K162-R165 PolarHBondContact O-N 3.41Å; D163-R165 VanDerWaalsContact C-N 3.26Å; R165-L168 PolarHBondContact O-N 2.8Å; R165-N169 VanDerWaalsContact O-CB 3.24Å; R165-N169 WeakPolarHBondContact O-CB 3.42Å; R165-N169 PolarHBondContact O-N 2.83Å; R165-N169 PolarHBondContact O-ND2 3.1Å; R165-N169 PolarHBondContact O-OD1 2.83Å
166	K	65.6	Low	63.5	Low	140 Å²	140	96 Å²	96	61%	0.609	47%	0.465	S	S	*	.	H	α-helix	trans	-64.6	0	177.5	-75.6	-175	-175.7	177.8	0	110.1	K162 D163 Q164 L168 N169 Q170	K162-K166 WeakPolarHBondContact O-CG 3.12Å; K162-K166 PolarHBondContact O-N 3.24Å; D163-K166 PolarHBondContact O-N 3.23Å; Q164-K166 VanDerWaalsContact C-N 3.31Å; K166-L168 VanDerWaalsContact C-N 3.32Å; K166-N169 CarbonylContact O-C 3.43Å; K166-N169 PolarHBondContact O-N 2.89Å; K166-Q170 WeakPolarHBondContact O-CA 3.24Å; K166-Q170 VanDerWaalsContact O-CB 3.22Å; K166-Q170 WeakPolarHBondContact O-CB 3.18Å; K166-Q170 PolarHBondContact O-N 3.45Å
167	Q	58	Low	61.7	Low	135 Å²	135	98.4 Å²	98.4	63%	0.631	48%	0.478	S	S	*	.	H	α-helix		0	-40.3	0	-73.5	-164.4	32	0	0	111	D163 Q164 N169 Q170 T171	D163-Q167 WeakPolarHBondContact O-CG 3.06Å; D163-Q167 PolarHBondContact O-N 3.28Å; Q164-Q167 PolarHBondContact O-N 2.8Å; Q167-N169 VanDerWaalsContact C-N 3.31Å; Q167-Q170 PolarHBondContact O-N 2.8Å; Q167-T171 WeakPolarHBondContact O-CB 3.38Å; Q167-T171 VanDerWaalsContact O-CG2 3.27Å; Q167-T171 WeakPolarHBondContact O-CG2 3.3Å; Q167-T171 PolarHBondContact O-N 3.08Å; Q167-T171 PolarHBondContact O-OG1 3.28Å
168	L	56.5	Low	59.9	Low	101 Å²	101	102.8 Å²	102.8	53%	0.529	50%	0.498	S	S	.	.	H	α-helix	trans	-66.1	-39.6	175.7	-168.6	75.3	0	0	0	111.3	Q164 R165 K166 Q170 T171 N172	Q164-L168 WeakPolarHBondContact O-CB 3.5Å; Q164-L168 PolarHBondContact O-N 3.23Å; R165-L168 PolarHBondContact O-N 2.8Å; K166-L168 VanDerWaalsContact C-N 3.32Å; L168-Q170 VanDerWaalsContact C-N 3.33Å; L168-T171 WeakPolarHBondContact CA-OG1 3.35Å; L168-T171 CarbonylContact O-C 3.52Å; L168-T171 PolarHBondContact O-N 3.06Å; L168-T171 PolarHBondContact O-OG1 2.96Å; L168-N172 WeakPolarHBondContact O-CA 3.28Å; L168-N172 WeakPolarHBondContact O-CB 3.48Å; L168-N172 PolarHBondContact O-N 2.8Å
169	N	57.5	Low	58.4	Low	86 Å²	86	106.6 Å²	106.6	46%	0.46	52%	0.516	S	S	.	.	H	α-helix	trans	-71.7	0	-179.8	-75.4	-13.8	0	0	0	110.7	R165 K166 Q167 N172 E173	R165-N169 VanDerWaalsContact O-CB 3.24Å; R165-N169 WeakPolarHBondContact O-CB 3.42Å; R165-N169 PolarHBondContact O-N 2.83Å; R165-N169 PolarHBondContact O-ND2 3.1Å; R165-N169 PolarHBondContact O-OD1 2.83Å; K166-N169 CarbonylContact O-C 3.43Å; K166-N169 PolarHBondContact O-N 2.89Å; Q167-N169 VanDerWaalsContact C-N 3.31Å; N169-N172 CarbonylContact O-C 3.47Å; N169-N172 PolarHBondContact O-N 3.37Å; N169-E173 WeakPolarHBondContact O-CA 3.14Å; N169-E173 WeakPolarHBondContact O-CB 3.37Å; N169-E173 WeakPolarHBondContact O-CG 3.42Å; N169-E173 PolarHBondContact O-N 3.34Å
170	Q	55.6	Low	56.6	Low	130 Å²	130	113.4 Å²	113.4	61%	0.607	54%	0.544	S	S	*	.	H	α-helix		0	-37.1	0	-129	165.1	24.6	0	0	109.8	K166 Q167 L168 N172 E173 L174	K166-Q170 WeakPolarHBondContact O-CA 3.24Å; K166-Q170 VanDerWaalsContact O-CB 3.22Å; K166-Q170 WeakPolarHBondContact O-CB 3.18Å; K166-Q170 PolarHBondContact O-N 3.45Å; Q167-Q170 PolarHBondContact O-N 2.8Å; L168-Q170 VanDerWaalsContact C-N 3.33Å; Q170-N172 VanDerWaalsContact C-N 3.34Å; Q170-E173 PolarHBondContact O-N 2.83Å; Q170-L174 VanDerWaalsContact O-CB 3.26Å; Q170-L174 WeakPolarHBondContact O-CB 3.41Å; Q170-L174 WeakPolarHBondContact O-CD1 3.49Å; Q170-L174 PolarHBondContact O-N 3.09Å
171	T	54.3	Low	55	Low	67 Å²	67	118 Å²	118	41%	0.411	56%	0.562	S	S	.	*	H	α-helix	trans	-63.9	-39.7	168.9	45.9	0	0	0	0	111.2	Q167 L168 L174 N175	Q167-T171 WeakPolarHBondContact O-CB 3.38Å; Q167-T171 VanDerWaalsContact O-CG2 3.27Å; Q167-T171 WeakPolarHBondContact O-CG2 3.3Å; Q167-T171 PolarHBondContact O-N 3.08Å; Q167-T171 PolarHBondContact O-OG1 3.28Å; L168-T171 WeakPolarHBondContact CA-OG1 3.35Å; L168-T171 CarbonylContact O-C 3.52Å; L168-T171 PolarHBondContact O-N 3.06Å; L168-T171 PolarHBondContact O-OG1 2.96Å; T171-L174 CarbonylContact O-C 3.52Å; T171-L174 PolarHBondContact O-N 3.13Å; T171-N175 WeakPolarHBondContact O-CB 3.23Å; T171-N175 PolarHBondContact O-N 3.33Å; T171-N175 PolarHBondContact O-ND2 3.1Å
172	N	52.6	Low	53.1	Low	70 Å²	70	127 Å²	127	37%	0.374	59%	0.592	S	S	.	*	H	α-helix	trans	-72.1	0	179.7	-84.4	-10	0	0	0	111.6	L168 N169 Q170 N175 N176	L168-N172 WeakPolarHBondContact O-CA 3.28Å; L168-N172 WeakPolarHBondContact O-CB 3.48Å; L168-N172 PolarHBondContact O-N 2.8Å; N169-N172 CarbonylContact O-C 3.47Å; N169-N172 PolarHBondContact O-N 3.37Å; Q170-N172 VanDerWaalsContact C-N 3.34Å; N172-N175 CarbonylContact O-C 3.5Å; N172-N175 WeakPolarHBondContact O-CA 3.41Å; N172-N175 VanDerWaalsContact O-CB 3.31Å; N172-N175 WeakPolarHBondContact O-CB 3.4Å; N172-N175 PolarHBondContact O-N 3.12Å; N172-N175 VanDerWaalsContact O-N 3.1Å; N172-N176 WeakPolarHBondContact O-CA 3.39Å; N172-N176 WeakPolarHBondContact O-CB 3.26Å; N172-N176 PolarHBondContact O-N 2.44Å; N172-N176 PolarHBondContact O-ND2 3.15Å
173	E	50.6	Low	51.1	Low	124 Å²	124	126.3 Å²	126.3	58%	0.579	60%	0.604	S	S	*	*	H	α-helix		0	-26.7	0	-84.2	-150.5	165.8	0	0	109.8	N169 Q170 N175 N176 D177	N169-E173 WeakPolarHBondContact O-CA 3.14Å; N169-E173 WeakPolarHBondContact O-CB 3.37Å; N169-E173 WeakPolarHBondContact O-CG 3.42Å; N169-E173 PolarHBondContact O-N 3.34Å; Q170-E173 PolarHBondContact O-N 2.83Å; E173-N175 PolarHBondContact O-N 2.94Å; E173-N176 PolarHBondContact O-N 3.41Å; E173-N176 VanDerWaalsContact O-N 3.14Å; E173-D177 WeakPolarHBondContact O-CB 3.41Å; E173-D177 PolarHBondContact O-N 3.17Å
174	L	51	Low	49.6	Very low	114 Å²	114	129.6 Å²	129.6	60%	0.597	62%	0.621	S	S	*	*	H	α-helix	trans	-74.8	-17	166.3	-93.9	140.6	0	0	0	109.9	Q170 T171 N176	Q170-L174 VanDerWaalsContact O-CB 3.26Å; Q170-L174 WeakPolarHBondContact O-CB 3.41Å; Q170-L174 WeakPolarHBondContact O-CD1 3.49Å; Q170-L174 PolarHBondContact O-N 3.09Å; T171-L174 CarbonylContact O-C 3.52Å; T171-L174 PolarHBondContact O-N 3.13Å; L174-N176 VanDerWaalsContact C-N 3.32Å
175	N	47.1	Very low	48.1	Very low	94 Å²	94	130.8 Å²	130.8	50%	0.503	64%	0.639	S	S	.	*	H	α-helix	trans	-89.6	-14.9	172.8	-82.3	-16.1	0	0	0	111	T171 N172 E173	T171-N175 WeakPolarHBondContact O-CB 3.23Å; T171-N175 PolarHBondContact O-N 3.33Å; T171-N175 PolarHBondContact O-ND2 3.1Å; N172-N175 CarbonylContact O-C 3.5Å; N172-N175 WeakPolarHBondContact O-CA 3.41Å; N172-N175 VanDerWaalsContact O-CB 3.31Å; N172-N175 WeakPolarHBondContact O-CB 3.4Å; N172-N175 PolarHBondContact O-N 3.12Å; N172-N175 VanDerWaalsContact O-N 3.1Å; E173-N175 PolarHBondContact O-N 2.94Å
176	N	47.6	Very low	46.4	Very low	88 Å²	88	130.5 Å²	130.5	47%	0.471	65%	0.647	S	S	.	*	H	α-helix	trans	-101.3	0	-176.9	-86.3	-15.4	0	0	0	110.4	N172 E173 L174 K178 E179	N172-N176 WeakPolarHBondContact O-CA 3.39Å; N172-N176 WeakPolarHBondContact O-CB 3.26Å; N172-N176 PolarHBondContact O-N 2.44Å; N172-N176 PolarHBondContact O-ND2 3.15Å; E173-N176 PolarHBondContact O-N 3.41Å; E173-N176 VanDerWaalsContact O-N 3.14Å; L174-N176 VanDerWaalsContact C-N 3.32Å; N176-K178 PolarHBondContact O-N 3.41Å; N176-E179 PolarHBondContact O-N 2.99Å; N176-E179 VanDerWaalsContact O-N 3.14Å
177	D	47.3	Very low	44.8	Very low	132 Å²	132	129.8 Å²	129.8	71%	0.706	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn		0	2.8	0	-78.8	-18	0	0	0	109.9	E173 E179	E173-D177 WeakPolarHBondContact O-CB 3.41Å; E173-D177 PolarHBondContact O-N 3.17Å; D177-E179 VanDerWaalsContact C-N 3.35Å
178	K	45.9	Very low	43.5	Very low	158 Å²	158	134.5 Å²	134.5	69%	0.687	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	6	168.3	-75.4	-173.9	-178.7	176.8	0	110.6	N176	N176-K178 PolarHBondContact O-N 3.41Å
179	E	45.6	Very low	42.2	Very low	152 Å²	152	137.7 Å²	137.7	71%	0.71	67%	0.672	S	S	*	*	S	Bend	trans	-111.2	0	-176.1	-92.3	-166.7	171.9	0	0	110	N176 D177	N176-E179 PolarHBondContact O-N 2.99Å; N176-E179 VanDerWaalsContact O-N 3.14Å; D177-E179 VanDerWaalsContact C-N 3.35Å
180	K	42	Very low	41	Very low	202 Å²	202	139 Å²	139	88%	0.878	68%	0.678	S	S	*	*	S	Bend		0	26.2	0	-91.1	-175.3	-175.6	179.7	0	109.8
181	K	37.5	Very low	39.7	Very low	183 Å²	183	138.1 Å²	138.1	80%	0.796	68%	0.682	S	S	*	*	S	Bend	trans	-146.7	68.1	163	-86	-174.3	-177.9	175.4	0	109.5
182	R	30.7	Very low	38.7	Very low	217 Å²	217	139.6 Å²	139.6	82%	0.819	70%	0.695	S	S	*	*			trans	123.9	86.6	143.8	-86.7	-174.6	162.9	168.5	1	109.7	L184	R182-L184 PolarHBondContact O-N 3.15Å
183	S	30.9	Very low	37.7	Very low	122 Å²	122	141.1 Å²	141.1	85%	0.853	71%	0.711	S	S	*	*				-21.9	78.1	125.3	51.4	0	0	0	0	111.7
184	L	36.8	Very low	36.6	Very low	147 Å²	147	143 Å²	143	77%	0.77	73%	0.725	S	S	*	*			trans	-167.6	89.1	149.1	-146.2	74	0	0	0	109	R182	R182-L184 PolarHBondContact O-N 3.15Å
185	S	33	Very low	35.6	Very low	108 Å²	108	142.2 Å²	142.2	76%	0.755	73%	0.729	S	S	*	*				109.5	0	118.8	93.2	0	0	0	0	110.1
186	M	28	Very low	34.7	Very low	171 Å²	171	143.1 Å²	143.1	84%	0.842	74%	0.738	S	S	*	*				0	97.8	0	-154.3	76.9	99.3	0	0	110.9
187	N	31.5	Very low	33.9	Very low	125 Å²	125	145.3 Å²	145.3	67%	0.668	75%	0.748	S	S	*	*				99.4	0	122.6	-139	6.5	0	0	0	110.4
188	R	31.9	Very low	32.8	Very low	234 Å²	234	145.9 Å²	145.9	88%	0.883	75%	0.751	S	S	*	*				0	106.2	0	-98.2	-164.9	-177.6	174.7	0.6	109.4
189	F	29.6	Very low	32	Very low	167 Å²	167	143.3 Å²	143.3	73%	0.732	75%	0.753	S	S	*	*				45.4	108	97.3	-102.2	-84.9	0	0	0	110.6
190	D	31.9	Very low	31.2	Very low	113 Å²	113	147.6 Å²	147.6	60%	0.604	76%	0.763	S	S	*	*				130.5	118.7	124.2	-79.6	-18.7	0	0	0	109.6
191	T	27.7	Very low	30.8	Very low	112 Å²	112	143.6 Å²	143.6	69%	0.687	76%	0.76	S	S	*	*				108.1	100.6	113	59.8	0	0	0	0	109.6
192	S	32.7	Very low	30.2	Very low	98 Å²	98	143.5 Å²	143.5	69%	0.685	77%	0.768	S	S	*	*				77.8	110.7	105.5	61.8	0	0	0	0	110.8
193	S	32.3	Very low	30.2	Very low	102 Å²	102	137.8 Å²	137.8	71%	0.713	76%	0.762	S	S	*	*				83.4	112.4	115.8	-51.6	0	0	0	0	110.3
194	L	26.9	Very low	30.3	Very low	164 Å²	164	139.9 Å²	139.9	86%	0.859	76%	0.763	S	S	*	*				132.6	104.9	124.9	-157.9	67.3	0	0	0	109.6
195	S	31.6	Very low	30.1	Very low	97 Å²	97	141.6 Å²	141.6	68%	0.678	77%	0.771	S	S	*	*				124.5	113.4	129	61	0	0	0	0	109.8
196	T	28.1	Very low	29.9	Very low	114 Å²	114	141.6 Å²	141.6	70%	0.699	77%	0.771	S	S	*	*				76.8	0	88.1	40.6	0	0	0	0	110.3
197	I	29.8	Very low	29.9	Very low	134 Å²	134	140.3 Å²	140.3	69%	0.687	77%	0.768	S	S	*	*				0	107.3	0	-68.8	166.9	0	0	0	108.9
198	D	24.8	Very low	29.8	Very low	144 Å²	144	142.9 Å²	142.9	77%	0.77	78%	0.776	S	S	*	*				103	113.2	115.7	-101.3	-8.7	0	0	0	110
199	S	27.9	Very low	29.7	Very low	104 Å²	104	141.5 Å²	141.5	73%	0.727	77%	0.772	S	S	*	*				116	108.9	106.1	20.9	0	0	0	0	109.8
200	R	29.4	Very low	29.9	Very low	242 Å²	242	138 Å²	138	91%	0.913	77%	0.768	S	S	*	*				79.5	0	106.8	-97.6	178.5	169.9	-171	-0.8	110.5
201	S	32.8	Very low	29.9	Very low	117 Å²	117	138 Å²	138	82%	0.818	78%	0.777	S	S	*	*				0	76	0	20.3	0	0	0	0	109.3
202	N	26.6	Very low	30.1	Very low	181 Å²	181	139.9 Å²	139.9	97%	0.968	78%	0.781	S	S	*	*			trans	-107.7	0	141.7	-97.7	-10.3	0	0	0	110.4
203	S	30.6	Very low	29.9	Very low	97 Å²	97	145.8 Å²	145.8	68%	0.678	79%	0.788	S	S	*	*				0	86.2	0	86.9	0	0	0	0	109.7
204	L	32.2	Very low	29.8	Very low	167 Å²	167	151.5 Å²	151.5	87%	0.874	79%	0.794	S	S	*	*	S	Bend		-161.2	0	123.9	-93.6	145.5	0	0	0	109.2
205	L	31.7	Very low	30	Very low	182 Å²	182	150.7 Å²	150.7	95%	0.953	79%	0.791	S	S	*	*	S	Bend		0	0	0	-138.3	103.6	0	0	0	109.1
206	S	30.7	Very low	30	Very low	108 Å²	108	150.9 Å²	150.9	76%	0.755	79%	0.792	S	S	*	*				0	59.2	0	-171.6	0	0	0	0	109.1
207	D	27.7	Very low	30.4	Very low	145 Å²	145	151.2 Å²	151.2	78%	0.775	79%	0.788	S	S	*	*			trans	-128.5	52	154.7	-80	-15	0	0	0	109.7
208	H	29.5	Very low	30.4	Very low	178 Å²	178	150.8 Å²	150.8	82%	0.824	79%	0.788	S	S	*	*	S	Bend	trans	-128.2	42.2	160.6	-94.3	-73.7	0	0	0	109.5
209	Y	29.5	Very low	31	Very low	206 Å²	206	149.6 Å²	149.6	81%	0.808	78%	0.78	S	S	*	*	S	Bend	trans	-155.2	25.4	159.9	-104.1	-87.1	0	0	0	109.3
210	S	32.8	Very low	31.1	Very low	93 Å²	93	151.6 Å²	151.6	65%	0.65	78%	0.783	S	S	*	*	S	Bend	trans	-123.6	46	165.1	43.2	0	0	0	0	109.5
211	S	33	Very low	31.1	Very low	112 Å²	112	145.5 Å²	145.5	78%	0.783	77%	0.772	S	S	*	*			trans	-137.3	46.6	157.9	-70.9	0	0	0	0	109.6	R213	S211-R213 PolarHBondContact O-N 2.96Å
212	I	32.2	Very low	30.9	Very low	153 Å²	153	149 Å²	149	79%	0.785	77%	0.773	S	S	*	*			trans	-120.6	40.7	156.5	-84.3	145.5	0	0	0	108.3
213	R	28.3	Very low	31	Very low	222 Å²	222	146 Å²	146	84%	0.838	76%	0.76	S	S	*	*			trans	-64.7	82.8	151.2	-96.7	-159.7	-129.3	-146.3	-0.1	110.8	S211	S211-R213 PolarHBondContact O-N 2.96Å
214	R	29.6	Very low	30.9	Very low	221 Å²	221	148 Å²	148	83%	0.834	76%	0.762	S	S	*	*			trans	163.4	56.2	134.4	-85	-171.3	-152	113.4	-0.4	109.2	S216	R214-S216 VanDerWaalsContact C-N 3.27Å
215	N	30.3	Very low	30.6	Very low	148 Å²	148	145.4 Å²	145.4	79%	0.791	75%	0.754	S	S	*	*			trans	-106.2	52.4	152.5	-97	5.4	0	0	0	110.1	I217	N215-I217 PolarHBondContact O-N 3.3Å
216	S	31.6	Very low	30.4	Very low	100 Å²	100	142.6 Å²	142.6	70%	0.699	74%	0.744	S	S	*	*			trans	-29.8	73.3	157.6	176.1	0	0	0	0	111.5	R214 D218	R214-S216 VanDerWaalsContact C-N 3.27Å; S216-D218 PolarHBondContact O-N 2.93Å
217	I	36.5	Very low	30.2	Very low	121 Å²	121	143.7 Å²	143.7	62%	0.621	75%	0.746	S	S	*	*			trans	-68.3	78.7	163.2	-66.9	163.1	0	0	0	108.6	N215 I219	N215-I217 PolarHBondContact O-N 3.3Å; I217-I219 HydrophobicContact CG2-CG1 4.07Å; I217-I219 PolarHBondContact O-N 3.46Å
218	D	30.3	Very low	30.2	Very low	126 Å²	126	143.3 Å²	143.3	67%	0.674	75%	0.749	S	S	*	*			trans	-28.2	71.4	154	-83.8	-21.4	0	0	0	111.4	S216 D220	S216-D218 PolarHBondContact O-N 2.93Å; D218-D220 PolarHBondContact O-N 3.24Å
219	I	38.6	Very low	30	Very low	118 Å²	118	143.9 Å²	143.9	61%	0.605	75%	0.753	S	S	*	*			trans	-60.3	67.5	163.3	-65.2	163.2	0	0	0	108.8	I217 T221	I217-I219 HydrophobicContact CG2-CG1 4.07Å; I217-I219 PolarHBondContact O-N 3.46Å; I219-T221 HydrophobicContact CG2-CG2 3.92Å; I219-T221 PolarHBondContact O-N 3.47Å; I219-T221 VanDerWaalsContact O-N 3.07Å
220	D	29.9	Very low	30	Very low	147 Å²	147	139 Å²	139	79%	0.786	76%	0.755	S	S	*	*			trans	-44.8	72.3	161.8	-80.7	-18.3	0	0	0	111.3	D218 K222	D218-D220 PolarHBondContact O-N 3.24Å; D220-K222 PolarHBondContact O-N 2.85Å
221	T	29.3	Very low	29.6	Very low	113 Å²	113	140.1 Å²	140.1	69%	0.693	76%	0.761	S	S	*	*			trans	-60.9	61.8	159.7	17.9	0	0	0	0	109.9	I219	I219-T221 HydrophobicContact CG2-CG2 3.92Å; I219-T221 PolarHBondContact O-N 3.47Å; I219-T221 VanDerWaalsContact O-N 3.07Å
222	K	28.7	Very low	29.2	Very low	191 Å²	191	142.1 Å²	142.1	83%	0.83	76%	0.763	S	S	*	*			trans	-64.9	78.7	153.4	-112.1	178.7	-172.4	-176.7	0	111.3	D220 I224	D220-K222 PolarHBondContact O-N 2.85Å; K222-I224 PolarHBondContact O-N 3.4Å
223	V	28.5	Very low	28.9	Very low	117 Å²	117	140.6 Å²	140.6	71%	0.709	76%	0.761	S	S	*	*			trans	-17.2	70.5	149.6	178.8	0	0	0	0	110.1	T225	V223-T225 HydrophobicContact CG1-CG2 4.27Å
224	I	28.5	Very low	28.8	Very low	140 Å²	140	136 Å²	136	72%	0.718	76%	0.758	S	S	*	*			trans	-78.1	81.3	161.7	-63.8	173.7	0	0	0	108.6	K222 T226	K222-I224 PolarHBondContact O-N 3.4Å; I224-T226 HydrophobicContact CG2-CG2 3.91Å
225	T	26.5	Very low	28.7	Very low	113 Å²	113	131.7 Å²	131.7	69%	0.693	76%	0.756	S	S	*	*			trans	-46	88.2	148.9	23.6	0	0	0	0	110.6	V223	V223-T225 HydrophobicContact CG1-CG2 4.27Å
226	T	26.4	Very low	28.5	Very low	123 Å²	123	129 Å²	129	76%	0.755	75%	0.749	S	S	*	*			trans	-88.5	84.7	153.9	45.5	0	0	0	0	109.8	I224	I224-T226 HydrophobicContact CG2-CG2 3.91Å
227	T	25.9	Very low	28.3	Very low	130 Å²	130	131.4 Å²	131.4	80%	0.798	75%	0.754	S	S	*	*			trans	-35.1	96.5	135.6	49	0	0	0	0	110.9
228	T	28.9	Very low	27.8	Very low	137 Å²	137	130.9 Å²	130.9	84%	0.84	76%	0.756	S	S	*	*			trans	-86.7	102	142	39.1	0	0	0	0	110
229	E	25.7	Very low	27.5	Very low	191 Å²	191	131.5 Å²	131.5	89%	0.893	76%	0.759	S	S	*	*				49.5	104.6	102.2	-71.6	-175.7	178.5	0	0	111.1
230	A	28.4	Very low	26.9	Very low	103 Å²	103	131.1 Å²	131.1	85%	0.851	77%	0.766	S	S	*	*			trans	-167.8	109.2	133.4	0	0	0	0	0	108.9
231	C	24.6	Very low	26.5	Very low	116 Å²	116	132.2 Å²	132.2	78%	0.784	77%	0.765	S	S	*	*				51.9	107.4	109.7	-170.1	0	0	0	0	110.7
232	D	24.4	Very low	26.3	Very low	154 Å²	154	134.9 Å²	134.9	82%	0.824	77%	0.766	S	S	*	*			trans	-159.9	108.8	131.4	-80.9	-16.1	0	0	0	109.2
233	T	26	Very low	26.5	Very low	121 Å²	121	132.5 Å²	132.5	74%	0.742	76%	0.763	S	S	*	*				12.7	113.2	119.3	4.7	0	0	0	0	111.3
234	T	27	Very low	26.5	Very low	127 Å²	127	132.1 Å²	132.1	78%	0.779	76%	0.761	S	S	*	*				157	107.8	117.3	46.6	0	0	0	0	108.8
235	T	27.3	Very low	26.4	Very low	129 Å²	129	132.1 Å²	132.1	79%	0.791	76%	0.763	S	S	*	*				116.2	106.8	115.5	21.3	0	0	0	0	109.4
236	S	24.5	Very low	26.5	Very low	93 Å²	93	133.8 Å²	133.8	65%	0.65	77%	0.767	S	S	*	*				89.4	103.7	104.5	62.3	0	0	0	0	110.2
237	N	28.3	Very low	26.5	Very low	150 Å²	150	132.6 Å²	132.6	80%	0.802	76%	0.764	S	S	*	*				158.9	0	118.8	-87.4	-7.5	0	0	0	109.6
238	V	25.9	Very low	26.6	Very low	109 Å²	109	133.1 Å²	133.1	66%	0.661	77%	0.767	S	S	*	*				0	106	0	178.1	0	0	0	0	109.9
239	L	24.3	Very low	26.4	Very low	140 Å²	140	131.5 Å²	131.5	73%	0.733	76%	0.761	S	S	*	*				121.8	117	101.5	-78	166.5	0	0	0	109.6	F241	L239-F241 HydrophobicContact CD2-CD2 4.49Å; L239-F241 HydrophobicContact CD2-CE2 4.39Å
240	S	25.3	Very low	26.8	Very low	109 Å²	109	128.5 Å²	128.5	76%	0.762	76%	0.759	S	S	*	*				155.3	110.6	106.7	79.4	0	0	0	0	109.4
241	F	23	Very low	26.6	Very low	170 Å²	170	129.4 Å²	129.4	75%	0.746	76%	0.757	S	S	*	*				67.1	118	89.8	-101.4	-86.7	0	0	0	110.4	L239	L239-F241 HydrophobicContact CD2-CD2 4.49Å; L239-F241 HydrophobicContact CD2-CE2 4.39Å
242	K	24.2	Very low	26.6	Very low	169 Å²	169	134 Å²	134	74%	0.735	76%	0.764	S	S	*	*				124.8	114.7	104.8	-120.6	174.1	179.1	174.8	0	109.7
243	D	32.7	Very low	26.7	Very low	141 Å²	141	130.8 Å²	130.8	75%	0.754	76%	0.759	S	S	*	*				174.3	0	118	-78.7	-22.5	0	0	0	109.2
244	T	29.3	Very low	26.7	Very low	109 Å²	109	130.3 Å²	130.3	67%	0.669	76%	0.761	S	S	*	*				0	115.8	0	50.4	0	0	0	0	110.8
245	D	24.6	Very low	26.7	Very low	141 Å²	141	135.9 Å²	135.9	75%	0.754	77%	0.768	S	S	*	*				66.9	116.3	100.9	-71.1	-15.1	0	0	0	110.5
246	N	29.3	Very low	26.6	Very low	148 Å²	148	135.5 Å²	135.5	79%	0.791	77%	0.77	S	S	*	*				154	110.3	123	-96	15.3	0	0	0	109.8
247	S	25.8	Very low	26.7	Very low	97 Å²	97	136.2 Å²	136.2	68%	0.678	78%	0.775	S	S	*	*				37.4	103.3	103.7	69.5	0	0	0	0	111.4
248	T	28.5	Very low	26.8	Very low	142 Å²	142	134.7 Å²	134.7	87%	0.871	77%	0.771	S	S	*	*			trans	-170.6	102.4	132	-39.1	0	0	0	0	108.9
249	S	26	Very low	26.9	Very low	103 Å²	103	138 Å²	138	72%	0.72	78%	0.784	S	S	*	*				39.7	113.1	117.3	-169.6	0	0	0	0	111.1
250	P	32.5	Very low	27	Very low	128 Å²	128	141.4 Å²	141.4	83%	0.831	79%	0.789	S	S	*	*			trans	-112.2	92.8	171.2	13.4	6.9	0	0	0	111.7
251	C	24.3	Very low	27.1	Very low	121 Å²	121	141.9 Å²	141.9	82%	0.818	79%	0.787	S	S	*	*			trans	-43.3	119.3	143.2	-94.7	0	0	0	0	111
252	F	25.2	Very low	27.4	Very low	212 Å²	212	139.1 Å²	139.1	93%	0.93	79%	0.79	S	S	*	*				13.1	105.4	121.1	-93.2	-83	0	0	0	111.1
253	A	26	Very low	27.6	Very low	88 Å²	88	139 Å²	139	73%	0.727	80%	0.796	S	S	*	*			trans	169.1	119.3	133	0	0	0	0	0	109
254	S	27.1	Very low	27.8	Very low	111 Å²	111	138.4 Å²	138.4	78%	0.776	80%	0.8	S	S	*	*				87.7	110.9	111.8	-64.4	0	0	0	0	110.1
255	R	26.5	Very low	27.7	Very low	244 Å²	244	141.2 Å²	141.2	92%	0.921	81%	0.805	S	S	*	*				82.1	0	113.2	-100.4	174.8	133.3	175.9	1	110
256	S	25.7	Very low	28.1	Very low	121 Å²	121	143.5 Å²	143.5	85%	0.846	81%	0.808	S	S	*	*				0	103	0	-121.1	0	0	0	0	111.1
257	S	27.2	Very low	28.1	Very low	108 Å²	108	145.8 Å²	145.8	76%	0.755	81%	0.811	S	S	*	*				137.1	106.4	126.8	77.4	0	0	0	0	109.4
258	T	29.3	Very low	28.3	Very low	117 Å²	117	148.7 Å²	148.7	72%	0.718	82%	0.819	S	S	*	*				154.1	91.8	120.1	-22.3	0	0	0	0	109
259	L	28.5	Very low	29.5	Very low	179 Å²	179	145.7 Å²	145.7	94%	0.937	80%	0.802	S	S	*	*			trans	-148.4	90.9	142.3	-75.9	175.2	0	0	0	109.3
260	Y	26.6	Very low	29.7	Very low	211 Å²	211	147.7 Å²	147.7	83%	0.827	80%	0.804	S	S	*	*				-50.3	106	121.7	-115.4	-93.7	0	0	0	111.3
261	T	27.8	Very low	30	Very low	119 Å²	119	149.6 Å²	149.6	73%	0.73	81%	0.806	S	S	*	*				152	109.8	125.3	48.7	0	0	0	0	108.9
262	S	28.5	Very low	30.5	Very low	113 Å²	113	150.4 Å²	150.4	79%	0.79	80%	0.801	S	S	*	*				143.2	89.8	111.3	54.6	0	0	0	0	109.4
263	L	28	Very low	30.9	Very low	167 Å²	167	151.1 Å²	151.1	87%	0.874	80%	0.797	S	S	*	*				10.2	108.4	117.2	-128.4	73.6	0	0	0	111.4
264	P	37.1	Very low	31.3	Very low	128 Å²	128	154.7 Å²	154.7	83%	0.831	80%	0.799	S	S	*	*			trans	-87.6	0	153	12.8	-2.1	0	0	0	111.5
265	H	28.1	Very low	31.5	Very low	168 Å²	168	158 Å²	158	78%	0.778	80%	0.802	S	S	*	*				0	100	0	-107	-69.8	0	0	0	111.7
266	K	32.9	Very low	31.8	Very low	189 Å²	189	153.9 Å²	153.9	82%	0.822	80%	0.798	S	S	*	*				41.2	115.9	102.5	-97.2	-173.6	-179.5	179.8	0	111.5
267	K	28.4	Very low	32.6	Very low	195 Å²	195	150.3 Å²	150.3	85%	0.848	77%	0.773	S	S	*	*				163.9	97.1	126.9	-81.4	-171.1	-179	-180	0	109.4
268	N	29.4	Very low	33.4	Very low	158 Å²	158	153 Å²	153	85%	0.845	78%	0.778	S	S	*	*				78.6	151.3	98.8	-115.1	-20.3	0	0	0	111
269	P	54.5	Low	34.2	Very low	80 Å²	80	151.1 Å²	151.1	52%	0.519	77%	0.769	S	S	.	*				-117.2	113.5	-120.2	34.8	-5.9	0	0	0	111.7
270	N	30.7	Very low	35.3	Very low	144 Å²	144	143.7 Å²	143.7	77%	0.77	73%	0.733	S	S	*	*			trans	-177	68.7	146.5	-81	-22.1	0	0	0	109.8
271	I	37.4	Very low	36.6	Very low	168 Å²	168	140.8 Å²	140.8	86%	0.862	72%	0.72	S	S	*	*			trans	-128.1	84	149.7	-65.4	173.1	0	0	0	108.3	R273	I271-R273 VanDerWaalsContact C-N 3.32Å; I271-R273 PolarHBondContact O-N 3.19Å; I271-R273 VanDerWaalsContact O-N 3.13Å
272	I	34.9	Very low	38.1	Very low	139 Å²	139	138.3 Å²	138.3	71%	0.713	70%	0.703	S	S	*	*			trans	5.8	0	134.3	-60.4	172.2	0	0	0	110.2
273	R	34.8	Very low	39.8	Very low	226 Å²	226	138.5 Å²	138.5	85%	0.853	69%	0.691	S	S	*	*				0	0	0	-158.5	-179.6	-101.4	157.3	-0.8	110	I271 H275	I271-R273 VanDerWaalsContact C-N 3.32Å; I271-R273 PolarHBondContact O-N 3.19Å; I271-R273 VanDerWaalsContact O-N 3.13Å; R273-H275 PolarHBondContact O-N 3.48Å
274	H	33.1	Very low	41.7	Very low	164 Å²	164	137.7 Å²	137.7	76%	0.759	68%	0.676	S	S	*	*				0	88.9	0	-85	-70.6	0	0	0	111.7	N276	H274-N276 PolarHBondContact O-N 3.29Å
275	H	32	Very low	43.1	Very low	181 Å²	181	133.3 Å²	133.3	84%	0.838	64%	0.644	S	S	*	*	S	Bend		24.7	0	123.1	-86	-78.3	0	0	0	111.5	R273	R273-H275 PolarHBondContact O-N 3.48Å
276	N	33.8	Very low	45.4	Very low	156 Å²	156	127.9 Å²	127.9	83%	0.834	62%	0.623	S	S	*	*				0	63.7	0	-92.7	-5.4	0	0	0	110.2	H274	H274-N276 PolarHBondContact O-N 3.29Å
277	S	41.9	Very low	47.5	Very low	47 Å²	47	123.3 Å²	123.3	33%	0.329	61%	0.607	S	S	.	*	H	α-helix	trans	-134.5	0	-178.9	76.8	0	0	0	0	109.7	S279 S280 R281	S277-S279 PolarHBondContact O-N 3.19Å; S277-S280 WeakPolarHBondContact CA-OG 3.21Å; S277-S280 CovalentContact CB-OG 1.7Å; S277-S280 WeakPolarHBondContact CB-OG 2.98Å; S277-S280 CarbonylContact O-C 3.2Å; S277-S280 WeakPolarHBondContact O-CA 3.43Å; S277-S280 WeakPolarHBondContact O-CB 3.36Å; S277-S280 PolarHBondContact O-N 3.25Å; S277-S280 PolarHBondContact O-OG 2.56Å; S277-S280 PolarHBondContact OG-OG 2.78Å; S277-R281 WeakPolarHBondContact O-CB 2.35Å; S277-R281 PolarHBondContact O-N 3.01Å
278	L	44	Very low	50.1	Low	163 Å²	163	116.8 Å²	116.8	85%	0.853	58%	0.583	S	S	*	*	H	α-helix		0	0	0	-97.1	121.5	0	0	0	110.7	S280	L278-S280 VanDerWaalsContact C-N 3.33Å
279	S	46.6	Very low	52.7	Low	78 Å²	78	110 Å²	110	55%	0.545	55%	0.547	S	S	.	.	H	α-helix		0	0	0	165.2	0	0	0	0	111	S277 E283	S277-S279 PolarHBondContact O-N 3.19Å; S279-E283 WeakPolarHBondContact O-CB 3.16Å; S279-E283 WeakPolarHBondContact O-CG 3.33Å; S279-E283 PolarHBondContact O-N 3.27Å
280	S	50.6	Low	54.2	Low	24 Å²	24	109 Å²	109	17%	0.168	54%	0.537	C	S	.	.	H	α-helix		0	0	0	76.3	0	0	0	0	111.3	S277 L278 R284	S277-S280 WeakPolarHBondContact CA-OG 3.21Å; S277-S280 CovalentContact CB-OG 1.7Å; S277-S280 WeakPolarHBondContact CB-OG 2.98Å; S277-S280 CarbonylContact O-C 3.2Å; S277-S280 WeakPolarHBondContact O-CA 3.43Å; S277-S280 WeakPolarHBondContact O-CB 3.36Å; S277-S280 PolarHBondContact O-N 3.25Å; S277-S280 PolarHBondContact O-OG 2.56Å; S277-S280 PolarHBondContact OG-OG 2.78Å; L278-S280 VanDerWaalsContact C-N 3.33Å; S280-R284 VanDerWaalsContact O-CB 3.24Å; S280-R284 WeakPolarHBondContact O-CB 3.42Å; S280-R284 WeakPolarHBondContact O-CG 3.05Å; S280-R284 PolarHBondContact O-N 3.11Å
281	R	54.7	Low	57	Low	149 Å²	149	109.2 Å²	109.2	56%	0.562	53%	0.531	S	S	*	.	H	α-helix		0	0	0	-168.6	175.1	149.6	174.3	-3.6	110.4	S277 R284 K285	S277-R281 WeakPolarHBondContact O-CB 2.35Å; S277-R281 PolarHBondContact O-N 3.01Å; R281-R284 PolarHBondContact O-N 3.18Å; R281-K285 WeakPolarHBondContact O-CB 3.37Å; R281-K285 WeakPolarHBondContact O-CG 3.36Å; R281-K285 PolarHBondContact O-N 2.88Å
282	N	58.7	Low	59.5	Low	68 Å²	68	104.9 Å²	104.9	36%	0.364	51%	0.506	S	S	.	.	H	α-helix		0	0	0	-80.7	-11.9	0	0	0	111.3	K285 V286	N282-K285 PolarHBondContact O-N 2.83Å; N282-V286 WeakPolarHBondContact O-CB 2.92Å; N282-V286 WeakPolarHBondContact O-CG2 2.73Å; N282-V286 PolarHBondContact O-N 3.2Å
283	E	64.3	Low	62.1	Low	116 Å²	116	104.1 Å²	104.1	54%	0.542	49%	0.494	S	S	.	.	H	α-helix		0	0	0	-86.2	-177.8	-178.7	0	0	110.7	S279 L287	S279-E283 WeakPolarHBondContact O-CB 3.16Å; S279-E283 WeakPolarHBondContact O-CG 3.33Å; S279-E283 PolarHBondContact O-N 3.27Å; E283-L287 WeakPolarHBondContact O-CB 2.95Å; E283-L287 VanDerWaalsContact O-CD1 3.28Å; E283-L287 WeakPolarHBondContact O-CD1 3.36Å; E283-L287 WeakPolarHBondContact O-CG 3.37Å; E283-L287 PolarHBondContact O-N 2.87Å
284	R	67.5	Low	64.8	Low	151 Å²	151	97.5 Å²	97.5	57%	0.57	48%	0.476	S	S	*	.	H	α-helix		0	0	0	-85.4	-173.3	-158.1	141.1	0.7	111.1	S280 R281 L287 T288	S280-R284 VanDerWaalsContact O-CB 3.24Å; S280-R284 WeakPolarHBondContact O-CB 3.42Å; S280-R284 WeakPolarHBondContact O-CG 3.05Å; S280-R284 PolarHBondContact O-N 3.11Å; R281-R284 PolarHBondContact O-N 3.18Å; R284-L287 PolarHBondContact O-N 3.5Å; R284-T288 WeakPolarHBondContact O-CG2 3.08Å; R284-T288 PolarHBondContact O-N 3.04Å; R284-T288 PolarHBondContact O-OG1 2.89Å
285	K	66.9	Low	67.6	Low	36 Å²	36	91.3 Å²	91.3	16%	0.157	45%	0.454	C	S	.	.	H	α-helix		0	0	0	-73.4	-176.3	-175.8	173.6	0	110.5	Y157 R281 N282 L287 T288 I289	Y157-K285 HydrophobicContact CD2-CB 4.14Å; Y157-K285 HydrophobicContact CE2-CB 4.13Å; R281-K285 WeakPolarHBondContact O-CB 3.37Å; R281-K285 WeakPolarHBondContact O-CG 3.36Å; R281-K285 PolarHBondContact O-N 2.88Å; N282-K285 PolarHBondContact O-N 2.83Å; K285-L287 VanDerWaalsContact C-N 3.27Å; K285-T288 WeakPolarHBondContact CA-OG1 3.35Å; K285-T288 WeakPolarHBondContact O-CB 3.16Å; K285-T288 PolarHBondContact O-N 2.64Å; K285-T288 PolarHBondContact O-OG1 3.01Å; K285-I289 PolarHBondContact O-N 2.67Å; K285-I289 VanDerWaalsContact O-N 3.15Å
286	V	76.8	Confident	70.5	Confident	53 Å²	53	85.3 Å²	85.3	32%	0.321	42%	0.424	S	S	.	.	H	α-helix		0	-36.7	0	173.2	0	0	0	0	109	Y157 N282 T288 I289 D290	Y157-V286 HydrophobicContact CE2-CG2 4.16Å; Y157-V286 WeakPolarHBondContact OH-CG2 3.02Å; N282-V286 WeakPolarHBondContact O-CB 2.92Å; N282-V286 WeakPolarHBondContact O-CG2 2.73Å; N282-V286 PolarHBondContact O-N 3.2Å; V286-T288 PolarHBondContact O-N 3.04Å; V286-I289 PolarHBondContact O-N 2.78Å; V286-D290 PolarHBondContact O-N 2.95Å
287	L	76.9	Confident	73.3	Confident	94 Å²	94	80.9 Å²	80.9	49%	0.492	40%	0.4	S	S	.	.	H	α-helix	trans	-66.1	0	179.2	-72.5	172.7	0	0	0	110.4	E283 R284 K285 D290 K291	E283-L287 WeakPolarHBondContact O-CB 2.95Å; E283-L287 VanDerWaalsContact O-CD1 3.28Å; E283-L287 WeakPolarHBondContact O-CD1 3.36Å; E283-L287 WeakPolarHBondContact O-CG 3.37Å; E283-L287 PolarHBondContact O-N 2.87Å; R284-L287 PolarHBondContact O-N 3.5Å; K285-L287 VanDerWaalsContact C-N 3.27Å; L287-D290 PolarHBondContact O-N 2.9Å; L287-K291 WeakPolarHBondContact O-CG 3.15Å; L287-K291 PolarHBondContact O-N 2.96Å
288	T	82	Confident	75.8	Confident	57 Å²	57	83.3 Å²	83.3	35%	0.35	41%	0.413	S	S	.	.	H	α-helix		0	-38.7	0	48.6	0	0	0	0	110.9	R284 K285 V286 K291 F292	R284-T288 WeakPolarHBondContact O-CG2 3.08Å; R284-T288 PolarHBondContact O-N 3.04Å; R284-T288 PolarHBondContact O-OG1 2.89Å; K285-T288 WeakPolarHBondContact CA-OG1 3.35Å; K285-T288 WeakPolarHBondContact O-CB 3.16Å; K285-T288 PolarHBondContact O-N 2.64Å; K285-T288 PolarHBondContact O-OG1 3.01Å; V286-T288 PolarHBondContact O-N 3.04Å; T288-K291 WeakPolarHBondContact O-CB 3.08Å; T288-K291 PolarHBondContact O-N 3.2Å; T288-F292 WeakPolarHBondContact O-CD2 3.49Å; T288-F292 PolarHBondContact O-N 3.29Å; T288-F292 VanDerWaalsContact O-N 3.1Å
289	I	84.9	Confident	78.2	Confident	16 Å²	16	76.3 Å²	76.3	8%	0.082	38%	0.377	C	S	.	.	H	α-helix	trans	-65.5	0	177.8	-69.5	172.5	0	0	0	109.4	Y150 V153 Y157 K285 V286 K291 F292 R293	Y150-I289 HydrophobicContact CE2-CG2 4.02Å; V153-I289 HydrophobicContact CG1-CG1 4.01Å; Y157-I289 HydrophobicContact CD1-CD1 3.34Å; Y157-I289 HydrophobicContact CD2-CD1 3.59Å; Y157-I289 HydrophobicContact CE1-CD1 3.89Å; Y157-I289 HydrophobicContact CE2-CD1 4.11Å; Y157-I289 HydrophobicContact CG-CD1 3.18Å; Y157-I289 HydrophobicContact CG-CG1 4.4Å; K285-I289 PolarHBondContact O-N 2.67Å; K285-I289 VanDerWaalsContact O-N 3.15Å; V286-I289 PolarHBondContact O-N 2.78Å; I289-K291 PolarHBondContact O-N 3.05Å; I289-F292 PolarHBondContact O-N 3.15Å; I289-F292 VanDerWaalsContact O-N 3.17Å; I289-R293 WeakPolarHBondContact O-CB 3.36Å; I289-R293 PolarHBondContact O-N 3.47Å
290	D	86.7	Confident	80.4	Confident	60 Å²	60	75.8 Å²	75.8	32%	0.321	37%	0.368	S	S	.	.	H	α-helix		0	-34.5	0	-76	-20.3	0	0	0	110.6	V286 L287 R293 D294	V286-D290 PolarHBondContact O-N 2.95Å; L287-D290 PolarHBondContact O-N 2.9Å; D290-R293 WeakPolarHBondContact O-CB 3.34Å; D290-R293 PolarHBondContact O-N 2.9Å; D290-R293 IonicContact OD1-NH1 3.55Å; D290-D294 WeakPolarHBondContact O-CB 3.37Å; D290-D294 PolarHBondContact O-N 3.43Å
291	K	89	Confident	82.6	Confident	147 Å²	147	77.6 Å²	77.6	64%	0.639	38%	0.378	S	S	*	.	H	α-helix	trans	-64	-46	177.3	-74.8	-176.4	-175.6	178.2	0	111.2	L287 T288 I289 R293 D294 A295	L287-K291 WeakPolarHBondContact O-CG 3.15Å; L287-K291 PolarHBondContact O-N 2.96Å; T288-K291 WeakPolarHBondContact O-CB 3.08Å; T288-K291 PolarHBondContact O-N 3.2Å; I289-K291 PolarHBondContact O-N 3.05Å; K291-R293 PolarHBondContact O-N 3.19Å; K291-D294 PolarHBondContact O-N 2.89Å; K291-A295 WeakPolarHBondContact O-CB 3.43Å; K291-A295 PolarHBondContact O-N 1.62Å
292	F	89	Confident	84.5	Confident	78 Å²	78	75 Å²	75	34%	0.342	37%	0.372	S	S	.	.	H	α-helix	trans	-68.6	-30.2	178.9	-81.5	-81.9	0	0	0	111	N149 Y150 V153 T288 I289 A295 Y296	N149-F292 HydrophobicContact CB-CD1 4.45Å; N149-F292 HydrophobicContact CB-CE1 4.32Å; Y150-F292 HydrophobicContact CD2-CB 3.78Å; V153-F292 HydrophobicContact CG1-CD2 4.32Å; V153-F292 HydrophobicContact CG2-CD2 4.13Å; V153-F292 HydrophobicContact CG2-CE1 4.49Å; V153-F292 HydrophobicContact CG2-CE2 3.94Å; V153-F292 HydrophobicContact CG2-CZ 4.12Å; T288-F292 WeakPolarHBondContact O-CD2 3.49Å; T288-F292 PolarHBondContact O-N 3.29Å; T288-F292 VanDerWaalsContact O-N 3.1Å; I289-F292 PolarHBondContact O-N 3.15Å; I289-F292 VanDerWaalsContact O-N 3.17Å; F292-A295 PolarHBondContact O-N 3.1Å; F292-Y296 VanDerWaalsContact O-CB 3.29Å; F292-Y296 WeakPolarHBondContact O-CB 3.49Å; F292-Y296 PolarHBondContact O-N 3.47Å
293	R	90.3	Very high	86.2	Confident	122 Å²	122	74.3 Å²	74.3	46%	0.46	37%	0.365	S	S	.	.	H	α-helix	trans	-66.6	-48.1	175	-178.2	178.4	127.2	-162.4	1.1	110.1	Y150 I289 D290 K291 A295 Y296 N297	Y150-R293 HydrophobicContact CE2-CB 3.96Å; I289-R293 WeakPolarHBondContact O-CB 3.36Å; I289-R293 PolarHBondContact O-N 3.47Å; D290-R293 WeakPolarHBondContact O-CB 3.34Å; D290-R293 PolarHBondContact O-N 2.9Å; D290-R293 IonicContact OD1-NH1 3.55Å; K291-R293 PolarHBondContact O-N 3.19Å; R293-A295 VanDerWaalsContact C-N 3.3Å; R293-A295 PolarHBondContact O-N 3.03Å; R293-Y296 PolarHBondContact O-N 3.41Å; R293-N297 WeakPolarHBondContact O-CB 3.18Å; R293-N297 PolarHBondContact O-N 3.43Å; R293-N297 PolarHBondContact O-ND2 2.8Å
294	D	91.5	Very high	87.7	Confident	87 Å²	87	76.3 Å²	76.3	47%	0.465	37%	0.369	S	S	.	.	H	α-helix	trans	-61.2	-43.3	180	-72.9	-18.6	0	0	0	110.2	D290 K291 Y296 N297 T298	D290-D294 WeakPolarHBondContact O-CB 3.37Å; D290-D294 PolarHBondContact O-N 3.43Å; K291-D294 PolarHBondContact O-N 2.89Å; D294-Y296 VanDerWaalsContact C-N 3.32Å; D294-N297 PolarHBondContact O-N 2.83Å; D294-T298 WeakPolarHBondContact O-CB 3.46Å; D294-T298 PolarHBondContact O-N 2.87Å; D294-T298 PolarHBondContact O-OG1 2.54Å
295	A	90.9	Very high	89.1	Confident	35 Å²	35	76.9 Å²	76.9	29%	0.289	37%	0.371	S	S	.	.	H	α-helix	trans	-57.6	-45.4	175.8	0	0	0	0	0	111.5	K291 F292 R293 T298 T299	K291-A295 WeakPolarHBondContact O-CB 3.43Å; K291-A295 PolarHBondContact O-N 1.62Å; F292-A295 PolarHBondContact O-N 3.1Å; R293-A295 VanDerWaalsContact C-N 3.3Å; R293-A295 PolarHBondContact O-N 3.03Å; A295-T298 PolarHBondContact O-N 3.07Å; A295-T299 WeakPolarHBondContact O-CG2 3.24Å; A295-T299 PolarHBondContact O-N 2.63Å; A295-T299 PolarHBondContact O-OG1 3.13Å
296	Y	92.8	Very high	90.4	Very high	54 Å²	54	76 Å²	76	21%	0.212	37%	0.368	C	S	.	.	H	α-helix	trans	-60	0	176.8	169.1	-105.9	0	0	0	110.7	L143 F147 F292 R293 D294 T298 T299 L300	L143-Y296 HydrophobicContact CD1-CD2 4.02Å; L143-Y296 HydrophobicContact CD1-CE2 3.73Å; F147-Y296 HydrophobicContact CB-CD2 4.18Å; F147-Y296 HydrophobicContact CB-CE2 3.9Å; F147-Y296 HydrophobicContact CD2-CD2 4.38Å; F147-Y296 AromaticContact CD2-CE2 3.69Å; F147-Y296 HydrophobicContact CD2-CE2 3.69Å; F147-Y296 HydrophobicContact CG-CE2 4.27Å; F292-Y296 VanDerWaalsContact O-CB 3.29Å; F292-Y296 WeakPolarHBondContact O-CB 3.49Å; F292-Y296 PolarHBondContact O-N 3.47Å; R293-Y296 PolarHBondContact O-N 3.41Å; D294-Y296 VanDerWaalsContact C-N 3.32Å; Y296-T298 PolarHBondContact O-N 2.68Å; Y296-T299 VanDerWaalsContact C-OG1 3.25Å; Y296-T299 VanDerWaalsContact CA-OG1 3.31Å; Y296-T299 WeakPolarHBondContact CA-OG1 3.47Å; Y296-T299 PolarHBondContact O-N 3.05Å; Y296-T299 PolarHBondContact O-OG1 3.08Å; Y296-L300 HydrophobicContact CE1-CD2 4.29Å; Y296-L300 WeakPolarHBondContact O-CB 3.2Å; Y296-L300 PolarHBondContact O-N 3.38Å
297	N	93.5	Very high	91.2	Very high	64 Å²	64	74.9 Å²	74.9	34%	0.342	36%	0.363	S	S	.	.	H	α-helix		0	-36.3	0	-75.3	-27.8	0	0	0	110.5	R293 D294 L300 T301	R293-N297 WeakPolarHBondContact O-CB 3.18Å; R293-N297 PolarHBondContact O-N 3.43Å; R293-N297 PolarHBondContact O-ND2 2.8Å; D294-N297 PolarHBondContact O-N 2.83Å; N297-L300 WeakPolarHBondContact O-CB 3.47Å; N297-L300 PolarHBondContact O-N 2.65Å; N297-T301 PolarHBondContact O-N 2.84Å; N297-T301 PolarHBondContact O-OG1 2.86Å
298	T	94.3	Very high	92.1	Very high	97 Å²	97	73 Å²	73	60%	0.595	36%	0.355	S	S	*	.	H	α-helix	trans	-65.1	-46.3	177.1	-60.1	0	0	0	0	110.6	D294 A295 Y296 L300 T301 H302	D294-T298 WeakPolarHBondContact O-CB 3.46Å; D294-T298 PolarHBondContact O-N 2.87Å; D294-T298 PolarHBondContact O-OG1 2.54Å; A295-T298 PolarHBondContact O-N 3.07Å; Y296-T298 PolarHBondContact O-N 2.68Å; T298-L300 PolarHBondContact O-N 2.97Å; T298-T301 PolarHBondContact O-N 2.86Å; T298-H302 PolarHBondContact O-N 3.09Å
299	T	93.4	Very high	92.7	Very high	17 Å²	17	72.8 Å²	72.8	10%	0.104	36%	0.355	C	S	.	.	H	α-helix	trans	-65.2	-33.8	177.9	52.2	0	0	0	0	110.9	K142 A295 Y296 T301 H302 Y303	K142-T299 HydrophobicContact CD-CG2 4.5Å; K142-T299 HydrophobicContact CG-CG2 4.38Å; A295-T299 WeakPolarHBondContact O-CG2 3.24Å; A295-T299 PolarHBondContact O-N 2.63Å; A295-T299 PolarHBondContact O-OG1 3.13Å; Y296-T299 VanDerWaalsContact C-OG1 3.25Å; Y296-T299 VanDerWaalsContact CA-OG1 3.31Å; Y296-T299 WeakPolarHBondContact CA-OG1 3.47Å; Y296-T299 PolarHBondContact O-N 3.05Å; Y296-T299 PolarHBondContact O-OG1 3.08Å; T299-T301 VanDerWaalsContact C-N 3.34Å; T299-H302 PolarHBondContact O-N 3.24Å; T299-Y303 WeakPolarHBondContact O-CB 3.47Å; T299-Y303 PolarHBondContact O-N 2.38Å
300	L	94.8	Very high	93	Very high	67 Å²	67	72 Å²	72	35%	0.351	35%	0.352	S	S	.	.	H	α-helix	trans	-64.3	-47.7	176.9	178.9	59.3	0	0	0	110.5	L143 Y296 N297 T298 H302 Y303 Y304	L143-L300 HydrophobicContact CD1-CB 3.91Å; L143-L300 HydrophobicContact CD1-CD1 4.08Å; L143-L300 HydrophobicContact CD2-CD1 4.05Å; Y296-L300 HydrophobicContact CE1-CD2 4.29Å; Y296-L300 WeakPolarHBondContact O-CB 3.2Å; Y296-L300 PolarHBondContact O-N 3.38Å; N297-L300 WeakPolarHBondContact O-CB 3.47Å; N297-L300 PolarHBondContact O-N 2.65Å; T298-L300 PolarHBondContact O-N 2.97Å; L300-H302 VanDerWaalsContact C-N 3.28Å; L300-H302 PolarHBondContact O-N 3.38Å; L300-Y303 PolarHBondContact O-N 3.38Å; L300-Y304 PolarHBondContact O-N 3.4Å
301	T	94.9	Very high	93.3	Very high	62 Å²	62	73.2 Å²	73.2	38%	0.38	36%	0.355	S	S	.	.	H	α-helix	trans	-58.2	-45.3	177.7	-60.4	0	0	0	0	110.3	N297 T298 T299 Y304 R305	N297-T301 PolarHBondContact O-N 2.84Å; N297-T301 PolarHBondContact O-OG1 2.86Å; T298-T301 PolarHBondContact O-N 2.86Å; T299-T301 VanDerWaalsContact C-N 3.34Å; T301-Y304 PolarHBondContact O-N 3.27Å; T301-R305 WeakPolarHBondContact O-CG 3.17Å; T301-R305 PolarHBondContact O-N 2.89Å
302	H	94.7	Very high	93.6	Very high	95 Å²	95	71.5 Å²	71.5	44%	0.44	35%	0.349	S	S	.	.	H	α-helix	trans	-58.6	-45.9	177.3	-177.4	-97.7	0	0	0	111.5	T298 T299 L300 Y304 R305 T306	T298-H302 PolarHBondContact O-N 3.09Å; T299-H302 PolarHBondContact O-N 3.24Å; L300-H302 VanDerWaalsContact C-N 3.28Å; L300-H302 PolarHBondContact O-N 3.38Å; H302-Y304 VanDerWaalsContact C-N 3.31Å; H302-Y304 PolarHBondContact O-N 3.05Å; H302-R305 PolarHBondContact O-N 3.46Å; H302-T306 VanDerWaalsContact O-CG2 3.24Å; H302-T306 WeakPolarHBondContact O-CG2 2.34Å; H302-T306 PolarHBondContact O-N 2.95Å; H302-T306 PolarHBondContact O-OG1 3.19Å; H302-T306 VanDerWaalsContact O-OG1 3.11Å
303	Y	95.5	Very high	93.8	Very high	53 Å²	53	67.9 Å²	67.9	21%	0.208	33%	0.334	C	S	.	.	H	α-helix	trans	-57.1	-46.6	176.1	172.2	-115.1	0	0	0	111.3	E136 A139 R140 L143 T299 L300 R305 T306 C307	E136-Y303 HydrophobicContact CG-CE2 4.42Å; A139-Y303 HydrophobicContact CB-CD2 4.23Å; R140-Y303 HydrophobicContact CB-CD2 4.07Å; R140-Y303 HydrophobicContact CB-CE2 3.69Å; R140-Y303 HydrophobicContact CG-CE2 4.14Å; L143-Y303 HydrophobicContact CD2-CD1 3.8Å; L143-Y303 HydrophobicContact CD2-CE1 4.33Å; L143-Y303 HydrophobicContact CD2-CG 4.04Å; T299-Y303 WeakPolarHBondContact O-CB 3.47Å; T299-Y303 PolarHBondContact O-N 2.38Å; L300-Y303 PolarHBondContact O-N 3.38Å; Y303-R305 VanDerWaalsContact C-N 3.29Å; Y303-R305 PolarHBondContact O-N 2.36Å; Y303-T306 VanDerWaalsContact C-OG1 3.27Å; Y303-T306 VanDerWaalsContact CA-OG1 3.29Å; Y303-T306 WeakPolarHBondContact CA-OG1 2.2Å; Y303-T306 PolarHBondContact O-N 3.34Å; Y303-T306 PolarHBondContact O-OG1 3.35Å; Y303-C307 WeakPolarHBondContact CE2-SG 3.28Å; Y303-C307 PolarHBondContact O-N 2.95Å; Y303-C307 PolarHBondContact O-SG 3.46Å
304	Y	95.4	Very high	93.9	Very high	158 Å²	158	65.5 Å²	65.5	62%	0.62	33%	0.325	S	S	*	.	H	α-helix	trans	-59.1	-41.6	179.3	171.8	-105.6	0	0	0	110.2	L300 T301 H302 C307 V308	L300-Y304 PolarHBondContact O-N 3.4Å; T301-Y304 PolarHBondContact O-N 3.27Å; H302-Y304 VanDerWaalsContact C-N 3.31Å; H302-Y304 PolarHBondContact O-N 3.05Å; Y304-C307 WeakPolarHBondContact O-CB 3.07Å; Y304-C307 PolarHBondContact O-N 3.19Å; Y304-V308 HydrophobicContact CD1-CG2 4.48Å; Y304-V308 HydrophobicContact CD2-CG2 4.42Å; Y304-V308 HydrophobicContact CE1-CG2 4.06Å; Y304-V308 HydrophobicContact CE2-CG2 4Å; Y304-V308 WeakPolarHBondContact O-CG2 3.3Å; Y304-V308 PolarHBondContact O-N 2.96Å
305	R	96.3	Very high	94	Very high	163 Å²	163	65 Å²	65	62%	0.615	32%	0.322	S	S	*	.	H	α-helix	trans	-66.6	-42.2	-178.5	-72.3	-172.9	-177.9	146.4	0.9	110.6	T301 H302 Y303 C307 V308 S309	T301-R305 WeakPolarHBondContact O-CG 3.17Å; T301-R305 PolarHBondContact O-N 2.89Å; H302-R305 PolarHBondContact O-N 3.46Å; Y303-R305 VanDerWaalsContact C-N 3.29Å; Y303-R305 PolarHBondContact O-N 2.36Å; R305-C307 PolarHBondContact O-N 3.25Å; R305-V308 PolarHBondContact O-N 3.23Å; R305-S309 WeakPolarHBondContact O-CB 3.24Å; R305-S309 PolarHBondContact O-N 3.27Å; R305-S309 PolarHBondContact O-OG 2.68Å
306	T	94.4	Very high	94.1	Very high	17 Å²	17	67.7 Å²	67.7	10%	0.104	33%	0.331	C	S	.	.	H	α-helix	trans	-66.7	-30.7	179.3	52.7	0	0	0	0	111	A139 H302 Y303 A310	A139-T306 HydrophobicContact CB-CG2 4.19Å; H302-T306 VanDerWaalsContact O-CG2 3.24Å; H302-T306 WeakPolarHBondContact O-CG2 2.34Å; H302-T306 PolarHBondContact O-N 2.95Å; H302-T306 PolarHBondContact O-OG1 3.19Å; H302-T306 VanDerWaalsContact O-OG1 3.11Å; Y303-T306 VanDerWaalsContact C-OG1 3.27Å; Y303-T306 VanDerWaalsContact CA-OG1 3.29Å; Y303-T306 WeakPolarHBondContact CA-OG1 2.2Å; Y303-T306 PolarHBondContact O-N 3.34Å; Y303-T306 PolarHBondContact O-OG1 3.35Å; T306-A310 WeakPolarHBondContact O-CB 3.35Å; T306-A310 PolarHBondContact O-N 3.21Å
307	C	94.4	Very high	94.2	Very high	30 Å²	30	65.6 Å²	65.6	20%	0.203	32%	0.323	C	S	.	.	H	α-helix	trans	-68.1	-46.4	177.4	-73.1	0	0	0	0	110.5	Y303 Y304 R305 S309 A310 E311	Y303-C307 WeakPolarHBondContact CE2-SG 3.28Å; Y303-C307 PolarHBondContact O-N 2.95Å; Y303-C307 PolarHBondContact O-SG 3.46Å; Y304-C307 WeakPolarHBondContact O-CB 3.07Å; Y304-C307 PolarHBondContact O-N 3.19Å; R305-C307 PolarHBondContact O-N 3.25Å; C307-S309 PolarHBondContact O-N 2.8Å; C307-A310 PolarHBondContact O-N 3Å; C307-E311 PolarHBondContact O-N 2.96Å
308	V	95	Very high	94.1	Very high	54 Å²	54	66.5 Å²	66.5	33%	0.327	33%	0.325	S	S	.	.	H	α-helix	trans	-63.8	-42	-179.5	171.1	0	0	0	0	109.1	Y304 R305 A310 E311 E312	Y304-V308 HydrophobicContact CD1-CG2 4.48Å; Y304-V308 HydrophobicContact CD2-CG2 4.42Å; Y304-V308 HydrophobicContact CE1-CG2 4.06Å; Y304-V308 HydrophobicContact CE2-CG2 4Å; Y304-V308 WeakPolarHBondContact O-CG2 3.3Å; Y304-V308 PolarHBondContact O-N 2.96Å; R305-V308 PolarHBondContact O-N 3.23Å; V308-A310 VanDerWaalsContact C-N 3.33Å; V308-A310 PolarHBondContact O-N 3.32Å; V308-E311 PolarHBondContact O-N 3.43Å; V308-E312 HydrophobicContact CG1-CG 4.46Å; V308-E312 WeakPolarHBondContact O-CG 3.29Å; V308-E312 PolarHBondContact O-N 3.11Å
309	S	94.5	Very high	94.1	Very high	52 Å²	52	64.4 Å²	64.4	36%	0.364	32%	0.315	S	S	.	.	H	α-helix	trans	-61.5	-43.2	178.4	-70	0	0	0	0	111.2	R305 C307 E311 E312 A313	R305-S309 WeakPolarHBondContact O-CB 3.24Å; R305-S309 PolarHBondContact O-N 3.27Å; R305-S309 PolarHBondContact O-OG 2.68Å; C307-S309 PolarHBondContact O-N 2.8Å; S309-E311 VanDerWaalsContact C-N 3.28Å; S309-E311 PolarHBondContact O-N 3.46Å; S309-E312 PolarHBondContact O-N 3.22Å; S309-A313 PolarHBondContact O-N 3.33Å
310	A	92.1	Very high	94.1	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-61.2	-40.1	176.8	0	0	0	0	0	111.4	Y133 E136 T306 C307 V308 A313 R314	Y133-A310 HydrophobicContact CD1-CB 3.74Å; Y133-A310 HydrophobicContact CE1-CB 3.78Å; E136-A310 HydrophobicContact CB-CB 4.42Å; E136-A310 WeakPolarHBondContact OE2-CB 3.03Å; T306-A310 WeakPolarHBondContact O-CB 3.35Å; T306-A310 PolarHBondContact O-N 3.21Å; C307-A310 PolarHBondContact O-N 3Å; V308-A310 VanDerWaalsContact C-N 3.33Å; V308-A310 PolarHBondContact O-N 3.32Å; A310-A313 PolarHBondContact O-N 3.19Å; A310-R314 PolarHBondContact O-N 3.06Å
311	E	92.9	Very high	93.9	Very high	85 Å²	85	65.3 Å²	65.3	40%	0.397	32%	0.315	S	S	.	.	H	α-helix	trans	-67	-40.4	178.4	-178.8	58.2	-160.2	0	0	110.8	C307 V308 S309 A313 R314 I315	C307-E311 PolarHBondContact O-N 2.96Å; V308-E311 PolarHBondContact O-N 3.43Å; S309-E311 VanDerWaalsContact C-N 3.28Å; S309-E311 PolarHBondContact O-N 3.46Å; E311-A313 VanDerWaalsContact C-N 3.26Å; E311-A313 PolarHBondContact O-N 3.18Å; E311-R314 WeakPolarHBondContact O-CB 3.35Å; E311-R314 PolarHBondContact O-N 2.47Å; E311-R314 IonicContact OE1-CZ 3.97Å; E311-R314 VanDerWaalsContact OE1-CZ 3.3Å; E311-R314 IonicContact OE1-NE 3.63Å; E311-R314 PolarHBondContact OE1-NE 3.2Å; E311-R314 IonicContact OE1-NH2 3.9Å; E311-R314 PolarHBondContact OE1-NH2 2.71Å; E311-R314 IonicContact OE2-NE 3.4Å; E311-R314 PolarHBondContact OE2-NE 3.5Å; E311-I315 HydrophobicContact CG-CD1 4.4Å; E311-I315 WeakPolarHBondContact O-CG1 3.29Å; E311-I315 PolarHBondContact O-N 3.36Å
312	E	94.4	Very high	93.8	Very high	111 Å²	111	68.1 Å²	68.1	52%	0.519	33%	0.327	S	S	.	.	H	α-helix	trans	-62	-43.2	176.2	-77	176.5	179.8	0	0	110.7	V308 S309 R314 I315 D316	V308-E312 HydrophobicContact CG1-CG 4.46Å; V308-E312 WeakPolarHBondContact O-CG 3.29Å; V308-E312 PolarHBondContact O-N 3.11Å; S309-E312 PolarHBondContact O-N 3.22Å; E312-R314 VanDerWaalsContact C-N 3.26Å; E312-R314 PolarHBondContact O-N 2.87Å; E312-I315 PolarHBondContact O-N 3.14Å; E312-D316 WeakPolarHBondContact O-CB 3.11Å; E312-D316 VanDerWaalsContact O-CG 3.25Å; E312-D316 PolarHBondContact O-N 2.89Å
313	A	93.1	Very high	93.7	Very high	3 Å²	3	70.4 Å²	70.4	3%	0.025	34%	0.336	C	S	.	.	H	α-helix	trans	-61.1	-39.2	176.4	0	0	0	0	0	111.6	L129 L132 S309 A310 E311 I315 D316 W317	L129-A313 HydrophobicContact CD1-CB 3.92Å; L132-A313 HydrophobicContact CB-CB 4.46Å; L132-A313 HydrophobicContact CD1-CB 2.96Å; L132-A313 HydrophobicContact CG-CB 4.27Å; S309-A313 PolarHBondContact O-N 3.33Å; A310-A313 PolarHBondContact O-N 3.19Å; E311-A313 VanDerWaalsContact C-N 3.26Å; E311-A313 PolarHBondContact O-N 3.18Å; A313-I315 VanDerWaalsContact C-N 3.31Å; A313-I315 PolarHBondContact O-N 3.29Å; A313-D316 PolarHBondContact O-N 3.22Å; A313-W317 VanDerWaalsContact O-CB 3.31Å; A313-W317 WeakPolarHBondContact O-CB 3.06Å; A313-W317 PolarHBondContact O-N 2.94Å
314	R	93.7	Very high	93.6	Very high	71 Å²	71	68.3 Å²	68.3	27%	0.268	33%	0.329	S	S	.	.	H	α-helix	trans	-61.6	-44.4	177.2	-172.8	-166.8	66.7	77.3	-1.3	111.1	L129 A310 E311 E312 D316 W317 H318	L129-R314 HydrophobicContact CD1-CB 4.12Å; A310-R314 PolarHBondContact O-N 3.06Å; E311-R314 WeakPolarHBondContact O-CB 3.35Å; E311-R314 PolarHBondContact O-N 2.47Å; E311-R314 IonicContact OE1-CZ 3.97Å; E311-R314 VanDerWaalsContact OE1-CZ 3.3Å; E311-R314 IonicContact OE1-NE 3.63Å; E311-R314 PolarHBondContact OE1-NE 3.2Å; E311-R314 IonicContact OE1-NH2 3.9Å; E311-R314 PolarHBondContact OE1-NH2 2.71Å; E311-R314 IonicContact OE2-NE 3.4Å; E311-R314 PolarHBondContact OE2-NE 3.5Å; E312-R314 VanDerWaalsContact C-N 3.26Å; E312-R314 PolarHBondContact O-N 2.87Å; R314-D316 VanDerWaalsContact C-N 3.3Å; R314-D316 PolarHBondContact O-N 3.26Å; R314-W317 WeakPolarHBondContact O-CB 3.14Å; R314-W317 PolarHBondContact O-N 3.2Å; R314-H318 PolarHBondContact NH1-CE1 3.32Å; R314-H318 PolarHBondContact NH1-ND1 3.09Å; R314-H318 PolarHBondContact O-N 3.45Å
315	I	93.2	Very high	93.4	Very high	78 Å²	78	62.8 Å²	62.8	40%	0.4	31%	0.309	S	S	.	.	H	α-helix	trans	-63.6	-44.5	180	-67.7	172.2	0	0	0	108.9	E311 E312 A313 W317 H318 S319	E311-I315 HydrophobicContact CG-CD1 4.4Å; E311-I315 WeakPolarHBondContact O-CG1 3.29Å; E311-I315 PolarHBondContact O-N 3.36Å; E312-I315 PolarHBondContact O-N 3.14Å; A313-I315 VanDerWaalsContact C-N 3.31Å; A313-I315 PolarHBondContact O-N 3.29Å; I315-W317 VanDerWaalsContact C-N 3.27Å; I315-W317 PolarHBondContact O-N 3.29Å; I315-H318 PolarHBondContact O-N 3.18Å; I315-S319 WeakPolarHBondContact O-CB 3.3Å; I315-S319 PolarHBondContact O-N 2.69Å; I315-S319 PolarHBondContact O-OG 3.44Å; I315-S319 VanDerWaalsContact O-OG 3.11Å
316	D	93.4	Very high	93.2	Very high	91 Å²	91	59.6 Å²	59.6	49%	0.487	31%	0.305	S	S	.	.	H	α-helix	trans	-59.3	-45.9	177.5	-74.1	-15.5	0	0	0	111.1	E312 A313 R314 H318 S319 K320	E312-D316 WeakPolarHBondContact O-CB 3.11Å; E312-D316 VanDerWaalsContact O-CG 3.25Å; E312-D316 PolarHBondContact O-N 2.89Å; A313-D316 PolarHBondContact O-N 3.22Å; R314-D316 VanDerWaalsContact C-N 3.3Å; R314-D316 PolarHBondContact O-N 3.26Å; D316-H318 VanDerWaalsContact C-N 3.31Å; D316-S319 PolarHBondContact O-N 2.77Å; D316-K320 WeakPolarHBondContact O-CB 3.1Å; D316-K320 PolarHBondContact O-N 3.47Å
317	W	93.4	Very high	93.1	Very high	9 Å²	9	62.2 Å²	62.2	3%	0.034	32%	0.316	C	S	.	.	H	α-helix	trans	-55	-50.3	175.6	179.2	84.3	0	0	0	111.8	L12 E125 T126 L129 A313 R314 I315 S319 K320 I321	L12-W317 HydrophobicContact CD2-CE3 4.28Å; L12-W317 HydrophobicContact CD2-CH2 4.25Å; L12-W317 HydrophobicContact CD2-CZ3 4.1Å; E125-W317 HydrophobicContact CG-CB 3.75Å; E125-W317 HydrophobicContact CG-CG 4.13Å; T126-W317 PolarHBondContact OG1-NE1 3.11Å; T126-W317 VanDerWaalsContact OG1-NE1 3.11Å; L129-W317 HydrophobicContact CD2-CB 4.14Å; L129-W317 HydrophobicContact CD2-CD2 4.19Å; L129-W317 HydrophobicContact CD2-CG 3.97Å; A313-W317 VanDerWaalsContact O-CB 3.31Å; A313-W317 WeakPolarHBondContact O-CB 3.06Å; A313-W317 PolarHBondContact O-N 2.94Å; R314-W317 WeakPolarHBondContact O-CB 3.14Å; R314-W317 PolarHBondContact O-N 3.2Å; I315-W317 VanDerWaalsContact C-N 3.27Å; I315-W317 PolarHBondContact O-N 3.29Å; W317-S319 VanDerWaalsContact C-N 3.31Å; W317-S319 PolarHBondContact O-N 2.97Å; W317-K320 PolarHBondContact O-N 3.47Å; W317-I321 HydrophobicContact CD2-CD1 3.3Å; W317-I321 HydrophobicContact CD2-CG1 4.17Å; W317-I321 HydrophobicContact CE3-CD1 3.61Å; W317-I321 HydrophobicContact CG-CD1 4.17Å; W317-I321 HydrophobicContact CH2-CD1 2.88Å; W317-I321 HydrophobicContact CH2-CG1 4.41Å; W317-I321 HydrophobicContact CZ2-CD1 2.55Å; W317-I321 HydrophobicContact CZ2-CG1 3.97Å; W317-I321 HydrophobicContact CZ3-CD1 3.4Å; W317-I321 WeakPolarHBondContact O-CG1 3.39Å; W317-I321 PolarHBondContact O-N 2.88Å
318	H	92.4	Very high	93	Very high	83 Å²	83	61 Å²	61	38%	0.384	31%	0.307	S	S	.	.	H	α-helix	trans	-58.6	-45.1	178.8	-81.6	160.9	0	0	0	110.8	R314 I315 D316 K320 I321 L322	R314-H318 PolarHBondContact NH1-CE1 3.32Å; R314-H318 PolarHBondContact NH1-ND1 3.09Å; R314-H318 PolarHBondContact O-N 3.45Å; I315-H318 PolarHBondContact O-N 3.18Å; D316-H318 VanDerWaalsContact C-N 3.31Å; H318-K320 VanDerWaalsContact C-N 3.26Å; H318-K320 PolarHBondContact O-N 2.47Å; H318-I321 PolarHBondContact O-N 2.81Å; H318-L322 PolarHBondContact O-N 3.09Å
319	S	93.8	Very high	92.9	Very high	54 Å²	54	64.3 Å²	64.3	38%	0.378	32%	0.319	S	S	.	.	H	α-helix	trans	-62.2	-42.1	-179.4	-67.7	0	0	0	0	110.4	I315 D316 W317 I321 L322 K323	I315-S319 WeakPolarHBondContact O-CB 3.3Å; I315-S319 PolarHBondContact O-N 2.69Å; I315-S319 PolarHBondContact O-OG 3.44Å; I315-S319 VanDerWaalsContact O-OG 3.11Å; D316-S319 PolarHBondContact O-N 2.77Å; W317-S319 VanDerWaalsContact C-N 3.31Å; W317-S319 PolarHBondContact O-N 2.97Å; S319-I321 VanDerWaalsContact C-N 3.34Å; S319-L322 PolarHBondContact O-N 3.22Å; S319-K323 VanDerWaalsContact O-CG 3.28Å; S319-K323 WeakPolarHBondContact O-CG 3.44Å; S319-K323 PolarHBondContact O-N 3.23Å
320	K	93.1	Very high	92.8	Very high	84 Å²	84	64.9 Å²	64.9	37%	0.365	32%	0.32	S	S	.	.	H	α-helix	trans	-67.6	-41.8	-179	-167.6	72.1	-177.6	-177.3	0	111.3	C121 E125 D316 W317 H318 L322 K323 C324	C121-K320 WeakPolarHBondContact SG-CD 3.4Å; C121-K320 CovalentContact SG-CE 2.17Å; C121-K320 WeakPolarHBondContact SG-CE 3.19Å; C121-K320 WeakPolarHBondContact SG-CG 3.47Å; C121-K320 PolarHBondContact SG-NZ 3.26Å; E125-K320 HydrophobicContact CG-CB 4.46Å; D316-K320 WeakPolarHBondContact O-CB 3.1Å; D316-K320 PolarHBondContact O-N 3.47Å; W317-K320 PolarHBondContact O-N 3.47Å; H318-K320 VanDerWaalsContact C-N 3.26Å; H318-K320 PolarHBondContact O-N 2.47Å; K320-L322 PolarHBondContact O-N 3.14Å; K320-K323 PolarHBondContact O-N 3.02Å; K320-C324 PolarHBondContact O-N 3.42Å; K320-C324 PolarHBondContact O-SG 3.22Å
321	I	92	Very high	92.8	Very high	19 Å²	19	65.3 Å²	65.3	10%	0.097	32%	0.323	C	S	.	.	H	α-helix	trans	-59.8	-43.8	177.7	-74.5	178.6	0	0	0	109.9	V122 W317 H318 S319 K323 C324 L325	V122-I321 HydrophobicContact CG1-CG1 4.37Å; W317-I321 HydrophobicContact CD2-CD1 3.3Å; W317-I321 HydrophobicContact CD2-CG1 4.17Å; W317-I321 HydrophobicContact CE3-CD1 3.61Å; W317-I321 HydrophobicContact CG-CD1 4.17Å; W317-I321 HydrophobicContact CH2-CD1 2.88Å; W317-I321 HydrophobicContact CH2-CG1 4.41Å; W317-I321 HydrophobicContact CZ2-CD1 2.55Å; W317-I321 HydrophobicContact CZ2-CG1 3.97Å; W317-I321 HydrophobicContact CZ3-CD1 3.4Å; W317-I321 WeakPolarHBondContact O-CG1 3.39Å; W317-I321 PolarHBondContact O-N 2.88Å; H318-I321 PolarHBondContact O-N 2.81Å; S319-I321 VanDerWaalsContact C-N 3.34Å; I321-K323 PolarHBondContact O-N 3.44Å; I321-C324 PolarHBondContact O-N 3.33Å; I321-L325 HydrophobicContact CG2-CD1 3.9Å; I321-L325 HydrophobicContact CG2-CG 4.22Å; I321-L325 WeakPolarHBondContact O-CB 3.49Å; I321-L325 VanDerWaalsContact O-CG 3.26Å; I321-L325 WeakPolarHBondContact O-CG 3.34Å; I321-L325 PolarHBondContact O-N 2.92Å
322	L	92.4	Very high	92.8	Very high	121 Å²	121	63.9 Å²	63.9	63%	0.634	32%	0.316	S	S	*	.	H	α-helix	trans	-63.3	-39.7	179.8	-171.5	62.1	0	0	0	110.6	H318 S319 K320 C324 L325 N326	H318-L322 PolarHBondContact O-N 3.09Å; S319-L322 PolarHBondContact O-N 3.22Å; K320-L322 PolarHBondContact O-N 3.14Å; L322-C324 VanDerWaalsContact C-N 3.26Å; L322-C324 PolarHBondContact O-N 3.26Å; L322-L325 PolarHBondContact O-N 3.44Å; L322-N326 WeakPolarHBondContact O-CB 3.12Å; L322-N326 PolarHBondContact O-N 3.25Å
323	K	92.7	Very high	92.8	Very high	143 Å²	143	63.1 Å²	63.1	62%	0.622	32%	0.315	S	S	*	.	H	α-helix	trans	-64	-41.3	178.4	-74.4	-177.3	-177.6	176.7	0	110.6	S319 K320 I321 L325 N326 H327	S319-K323 VanDerWaalsContact O-CG 3.28Å; S319-K323 WeakPolarHBondContact O-CG 3.44Å; S319-K323 PolarHBondContact O-N 3.23Å; K320-K323 PolarHBondContact O-N 3.02Å; I321-K323 PolarHBondContact O-N 3.44Å; K323-L325 VanDerWaalsContact C-N 3.25Å; K323-L325 PolarHBondContact O-N 2.94Å; K323-N326 PolarHBondContact O-N 3.31Å; K323-H327 WeakPolarHBondContact O-CB 3.42Å; K323-H327 PolarHBondContact O-N 3.43Å
324	C	92.4	Very high	92.8	Very high	9 Å²	9	66.4 Å²	66.4	6%	0.061	33%	0.332	C	S	.	.	H	α-helix	trans	-64.9	-39.9	178.2	-71.5	0	0	0	0	111.3	F17 L118 V122 K320 I321 L322 N326 H327 Q328	F17-C324 HydrophobicContact CE2-CB 4.03Å; L118-C324 HydrophobicContact CD2-CB 4.13Å; L118-C324 WeakPolarHBondContact CD2-O 3.37Å; V122-C324 HydrophobicContact CG2-CB 3.96Å; V122-C324 VanDerWaalsContact CG2-SG 3.51Å; K320-C324 PolarHBondContact O-N 3.42Å; K320-C324 PolarHBondContact O-SG 3.22Å; I321-C324 PolarHBondContact O-N 3.33Å; L322-C324 VanDerWaalsContact C-N 3.26Å; L322-C324 PolarHBondContact O-N 3.26Å; C324-N326 PolarHBondContact O-N 2.88Å; C324-H327 WeakPolarHBondContact O-CB 3.27Å; C324-H327 PolarHBondContact O-N 3.06Å; C324-Q328 WeakPolarHBondContact O-CG 3.5Å; C324-Q328 PolarHBondContact O-N 2.99Å
325	L	91.5	Very high	92.9	Very high	41 Å²	41	63.8 Å²	63.8	22%	0.215	32%	0.323	C	S	.	.	H	α-helix	trans	-65.9	-40.5	178.7	-73.7	174.5	0	0	0	110.9	F17 Q20 I321 L322 K323 H327 Q328 Q329	F17-L325 HydrophobicContact CD2-CD2 3.76Å; F17-L325 HydrophobicContact CD2-CG 4.22Å; Q20-L325 HydrophobicContact CB-CD2 4.41Å; I321-L325 HydrophobicContact CG2-CD1 3.9Å; I321-L325 HydrophobicContact CG2-CG 4.22Å; I321-L325 WeakPolarHBondContact O-CB 3.49Å; I321-L325 VanDerWaalsContact O-CG 3.26Å; I321-L325 WeakPolarHBondContact O-CG 3.34Å; I321-L325 PolarHBondContact O-N 2.92Å; L322-L325 PolarHBondContact O-N 3.44Å; K323-L325 VanDerWaalsContact C-N 3.25Å; K323-L325 PolarHBondContact O-N 2.94Å; L325-H327 PolarHBondContact O-N 3.12Å; L325-Q328 PolarHBondContact O-N 3.09Å; L325-Q329 WeakPolarHBondContact O-CB 3.21Å; L325-Q329 PolarHBondContact O-N 3.37Å
326	N	92.8	Very high	93	Very high	97 Å²	97	64 Å²	64	52%	0.519	32%	0.324	S	S	.	.	H	α-helix	trans	-62.6	-42.3	177.7	-171.9	48.9	0	0	0	110.7	L322 K323 C324 Q328 Q329 T330	L322-N326 WeakPolarHBondContact O-CB 3.12Å; L322-N326 PolarHBondContact O-N 3.25Å; K323-N326 PolarHBondContact O-N 3.31Å; C324-N326 PolarHBondContact O-N 2.88Å; N326-Q328 VanDerWaalsContact C-N 3.27Å; N326-Q328 PolarHBondContact O-N 3.13Å; N326-Q329 WeakPolarHBondContact O-CB 3.35Å; N326-Q329 PolarHBondContact O-N 2.97Å; N326-T330 PolarHBondContact O-N 2.37Å; N326-T330 PolarHBondContact O-OG1 2.8Å; N326-T330 VanDerWaalsContact O-OG1 3.07Å
327	H	92.7	Very high	93.2	Very high	72 Å²	72	62.4 Å²	62.4	33%	0.333	32%	0.318	S	S	.	.	H	α-helix	trans	-61.9	-43.4	177.3	-175.9	61.5	0	0	0	111.1	D114 L118 K323 C324 L325 Q329 T330 L331	D114-H327 IonicContact OD2-NE2 2.12Å; L118-H327 WeakPolarHBondContact CD1-CD2 3.5Å; L118-H327 HydrophobicContact CD2-CB 4.03Å; L118-H327 VanDerWaalsContact CD2-CD2 3.48Å; L118-H327 WeakPolarHBondContact CD2-CD2 3.29Å; K323-H327 WeakPolarHBondContact O-CB 3.42Å; K323-H327 PolarHBondContact O-N 3.43Å; C324-H327 WeakPolarHBondContact O-CB 3.27Å; C324-H327 PolarHBondContact O-N 3.06Å; L325-H327 PolarHBondContact O-N 3.12Å; H327-Q329 PolarHBondContact O-N 3.44Å; H327-T330 PolarHBondContact O-N 3.38Å; H327-L331 PolarHBondContact O-N 3.13Å
328	Q	91.7	Very high	93.3	Very high	3 Å²	3	63.7 Å²	63.7	1%	0.014	33%	0.328	C	S	.	.	H	α-helix	trans	-59.6	-37.8	176.1	-77.2	178.6	-19.5	0	0	111.6	L118 C324 L325 N326 T330 L331 E332	L118-Q328 HydrophobicContact CD2-CG 3.4Å; L118-Q328 VanDerWaalsContact CD2-CG 3.4Å; C324-Q328 WeakPolarHBondContact O-CG 3.5Å; C324-Q328 PolarHBondContact O-N 2.99Å; L325-Q328 PolarHBondContact O-N 3.09Å; N326-Q328 VanDerWaalsContact C-N 3.27Å; N326-Q328 PolarHBondContact O-N 3.13Å; Q328-T330 VanDerWaalsContact C-N 3.28Å; Q328-T330 PolarHBondContact O-N 3.12Å; Q328-L331 PolarHBondContact O-N 2.75Å; Q328-E332 WeakPolarHBondContact O-CB 3.49Å; Q328-E332 PolarHBondContact O-N 2.91Å
329	Q	92.3	Very high	93.4	Very high	124 Å²	124	61.3 Å²	61.3	58%	0.579	32%	0.318	S	S	*	.	H	α-helix	trans	-65.2	-44	178.8	-175.7	176.4	1.6	0	0	110.6	L325 N326 H327 L331 E332 N333	L325-Q329 WeakPolarHBondContact O-CB 3.21Å; L325-Q329 PolarHBondContact O-N 3.37Å; N326-Q329 WeakPolarHBondContact O-CB 3.35Å; N326-Q329 PolarHBondContact O-N 2.97Å; H327-Q329 PolarHBondContact O-N 3.44Å; Q329-L331 PolarHBondContact O-N 3.34Å; Q329-E332 PolarHBondContact O-N 2.98Å; Q329-N333 WeakPolarHBondContact O-CB 3.37Å; Q329-N333 PolarHBondContact O-N 3.44Å
330	T	93	Very high	93.6	Very high	64 Å²	64	62.5 Å²	62.5	39%	0.393	32%	0.323	S	S	.	.	H	α-helix	trans	-60.1	-41.5	178.8	-59.9	0	0	0	0	110.5	N326 H327 Q328 E332 N333 D334	N326-T330 PolarHBondContact O-N 2.37Å; N326-T330 PolarHBondContact O-OG1 2.8Å; N326-T330 VanDerWaalsContact O-OG1 3.07Å; H327-T330 PolarHBondContact O-N 3.38Å; Q328-T330 VanDerWaalsContact C-N 3.28Å; Q328-T330 PolarHBondContact O-N 3.12Å; T330-E332 VanDerWaalsContact C-N 3.26Å; T330-E332 PolarHBondContact O-N 3.31Å; T330-N333 PolarHBondContact O-N 3.43Å; T330-D334 PolarHBondContact O-N 3.35Å
331	L	91.8	Very high	93.7	Very high	10 Å²	10	62.7 Å²	62.7	5%	0.052	33%	0.328	C	S	.	.	H	α-helix	trans	-67.5	-42.5	179.9	-73.9	175.8	0	0	0	110.9	Y24 F111 D114 L118 H327 Q328 Q329 N333 D334 R335	Y24-L331 HydrophobicContact CE2-CB 4.04Å; Y24-L331 HydrophobicContact CE2-CD1 4.37Å; Y24-L331 VanDerWaalsContact OH-CD1 3.3Å; Y24-L331 WeakPolarHBondContact OH-CD1 3.29Å; F111-L331 HydrophobicContact CD1-CB 4.13Å; F111-L331 HydrophobicContact CD1-CD1 4.49Å; F111-L331 HydrophobicContact CE1-CB 3.39Å; F111-L331 HydrophobicContact CE1-CD2 4.39Å; F111-L331 HydrophobicContact CE1-CG 4.32Å; F111-L331 VanDerWaalsContact CE1-O 3.26Å; F111-L331 WeakPolarHBondContact CE1-O 3.24Å; F111-L331 HydrophobicContact CZ-CB 4.07Å; F111-L331 WeakPolarHBondContact CZ-O 3.22Å; D114-L331 HydrophobicContact CB-CD1 3.62Å; L118-L331 HydrophobicContact CD1-CD1 4.43Å; H327-L331 PolarHBondContact O-N 3.13Å; Q328-L331 PolarHBondContact O-N 2.75Å; Q329-L331 PolarHBondContact O-N 3.34Å; L331-N333 PolarHBondContact O-N 3.4Å; L331-D334 WeakPolarHBondContact O-CB 3.37Å; L331-D334 PolarHBondContact O-N 3.11Å; L331-R335 WeakPolarHBondContact O-CB 3.41Å; L331-R335 PolarHBondContact O-N 3.29Å
332	E	92.4	Very high	93.9	Very high	55 Å²	55	62.1 Å²	62.1	26%	0.257	33%	0.327	S	S	.	.	H	α-helix	trans	-60.8	-43.7	176.4	-179.6	63.7	-172.4	0	0	111.3	Q328 Q329 T330 D334 R335 L336	Q328-E332 WeakPolarHBondContact O-CB 3.49Å; Q328-E332 PolarHBondContact O-N 2.91Å; Q329-E332 PolarHBondContact O-N 2.98Å; T330-E332 VanDerWaalsContact C-N 3.26Å; T330-E332 PolarHBondContact O-N 3.31Å; E332-D334 PolarHBondContact O-N 3.28Å; E332-R335 WeakPolarHBondContact O-CB 2.83Å; E332-R335 PolarHBondContact O-N 3.15Å; E332-R335 VanDerWaalsContact O-N 3.17Å; E332-R335 IonicContact OE1-CZ 2.55Å; E332-R335 IonicContact OE1-NE 2.77Å; E332-R335 PolarHBondContact OE1-NE 3.01Å; E332-R335 IonicContact OE1-NH2 3.06Å; E332-R335 PolarHBondContact OE1-NH2 3.4Å; E332-R335 IonicContact OE2-CZ 2.72Å; E332-R335 IonicContact OE2-NE 3.51Å; E332-R335 PolarHBondContact OE2-NE 3.31Å; E332-R335 VanDerWaalsContact OE2-NE 3.1Å; E332-R335 IonicContact OE2-NH2 3.89Å; E332-L336 HydrophobicContact CG-CD1 4.29Å; E332-L336 HydrophobicContact CG-CG 4.5Å; E332-L336 WeakPolarHBondContact O-CG 1.99Å; E332-L336 PolarHBondContact O-N 2.99Å
333	N	94.8	Very high	94.1	Very high	95 Å²	95	62 Å²	62	51%	0.508	33%	0.326	S	S	.	.	H	α-helix	trans	-58.9	-44.3	175.7	-174.2	58	0	0	0	110.9	Q329 T330 L331 R335 L336 T337	Q329-N333 WeakPolarHBondContact O-CB 3.37Å; Q329-N333 PolarHBondContact O-N 3.44Å; T330-N333 PolarHBondContact O-N 3.43Å; L331-N333 PolarHBondContact O-N 3.4Å; N333-R335 PolarHBondContact O-N 3.34Å; N333-L336 PolarHBondContact O-N 3.01Å; N333-T337 VanDerWaalsContact O-CB 3.3Å; N333-T337 WeakPolarHBondContact O-CB 2.96Å; N333-T337 PolarHBondContact O-N 2.98Å; N333-T337 PolarHBondContact O-OG1 3.17Å
334	D	94.4	Very high	94.3	Very high	71 Å²	71	58 Å²	58	38%	0.38	31%	0.314	S	S	.	.	H	α-helix	trans	-60.2	-40.5	177.3	-70.7	-14.7	0	0	0	110.8	T330 L331 E332 L336 T337 S338	T330-D334 PolarHBondContact O-N 3.35Å; L331-D334 WeakPolarHBondContact O-CB 3.37Å; L331-D334 PolarHBondContact O-N 3.11Å; E332-D334 PolarHBondContact O-N 3.28Å; D334-L336 VanDerWaalsContact C-N 3.34Å; D334-T337 PolarHBondContact O-N 2.94Å; D334-S338 WeakPolarHBondContact O-CB 3.37Å; D334-S338 PolarHBondContact O-N 3.44Å; D334-S338 PolarHBondContact O-OG 3.44Å
335	R	94.9	Very high	94.4	Very high	17 Å²	17	59 Å²	59	6%	0.064	32%	0.32	C	S	.	.	H	α-helix	trans	-62.1	-51.5	178.9	-174.5	-176.3	71.5	74.8	1.1	111.1	T31 L107 F111 L331 E332 N333 T337 S338 L339	T31-R335 WeakPolarHBondContact OG1-CD 3.5Å; L107-R335 HydrophobicContact CD2-CB 4.28Å; L107-R335 HydrophobicContact CD2-CG 4.09Å; F111-R335 HydrophobicContact CE1-CB 4.14Å; F111-R335 HydrophobicContact CE2-CB 3.75Å; F111-R335 HydrophobicContact CE2-CG 4.14Å; F111-R335 HydrophobicContact CZ-CB 3.25Å; F111-R335 HydrophobicContact CZ-CG 4.01Å; L331-R335 WeakPolarHBondContact O-CB 3.41Å; L331-R335 PolarHBondContact O-N 3.29Å; E332-R335 WeakPolarHBondContact O-CB 2.83Å; E332-R335 PolarHBondContact O-N 3.15Å; E332-R335 VanDerWaalsContact O-N 3.17Å; E332-R335 IonicContact OE1-CZ 2.55Å; E332-R335 IonicContact OE1-NE 2.77Å; E332-R335 PolarHBondContact OE1-NE 3.01Å; E332-R335 IonicContact OE1-NH2 3.06Å; E332-R335 PolarHBondContact OE1-NH2 3.4Å; E332-R335 IonicContact OE2-CZ 2.72Å; E332-R335 IonicContact OE2-NE 3.51Å; E332-R335 PolarHBondContact OE2-NE 3.31Å; E332-R335 VanDerWaalsContact OE2-NE 3.1Å; E332-R335 IonicContact OE2-NH2 3.89Å; N333-R335 PolarHBondContact O-N 3.34Å; R335-T337 PolarHBondContact O-N 3.34Å; R335-S338 WeakPolarHBondContact O-CB 3.47Å; R335-S338 PolarHBondContact O-N 2.94Å; R335-S338 VanDerWaalsContact O-N 3.09Å; R335-L339 HydrophobicContact CG-CD1 4.41Å; R335-L339 PolarHBondContact O-N 3.08Å
336	L	96.3	Very high	94.7	Very high	81 Å²	81	60.6 Å²	60.6	42%	0.424	32%	0.324	S	S	.	.	H	α-helix	trans	-60.8	-40.3	-178.7	-68	175.4	0	0	0	110.7	E332 N333 D334 S338 L339 T340	E332-L336 HydrophobicContact CG-CD1 4.29Å; E332-L336 HydrophobicContact CG-CG 4.5Å; E332-L336 WeakPolarHBondContact O-CG 1.99Å; E332-L336 PolarHBondContact O-N 2.99Å; N333-L336 PolarHBondContact O-N 3.01Å; D334-L336 VanDerWaalsContact C-N 3.34Å; L336-S338 PolarHBondContact O-N 3.19Å; L336-L339 PolarHBondContact O-N 2.97Å; L336-T340 WeakPolarHBondContact O-CB 3.49Å; L336-T340 PolarHBondContact O-N 3.15Å; L336-T340 PolarHBondContact O-OG1 3.21Å
337	T	96.2	Very high	94.9	Very high	59 Å²	59	64.2 Å²	64.2	36%	0.362	33%	0.33	S	S	.	.	H	α-helix	trans	-63.6	-41.8	178.6	-60.7	0	0	0	0	110	N333 D334 R335 L339 T340 N341	N333-T337 VanDerWaalsContact O-CB 3.3Å; N333-T337 WeakPolarHBondContact O-CB 2.96Å; N333-T337 PolarHBondContact O-N 2.98Å; N333-T337 PolarHBondContact O-OG1 3.17Å; D334-T337 PolarHBondContact O-N 2.94Å; R335-T337 PolarHBondContact O-N 3.34Å; T337-L339 VanDerWaalsContact C-N 3.27Å; T337-L339 PolarHBondContact O-N 3.36Å; T337-T340 WeakPolarHBondContact O-CB 3.39Å; T337-T340 PolarHBondContact O-N 2.89Å; T337-N341 WeakPolarHBondContact O-CB 3.44Å; T337-N341 PolarHBondContact O-N 2.94Å; T337-N341 PolarHBondContact O-ND2 3.39Å
338	S	95.1	Very high	95	Very high	36 Å²	36	64.6 Å²	64.6	25%	0.252	34%	0.335	S	S	.	.	H	α-helix	trans	-62.6	-41.5	178.2	-68.8	0	0	0	0	111.2	L107 D334 R335 L336 T340 N341 G342	L107-S338 VanDerWaalsContact CD2-CB 3.49Å; D334-S338 WeakPolarHBondContact O-CB 3.37Å; D334-S338 PolarHBondContact O-N 3.44Å; D334-S338 PolarHBondContact O-OG 3.44Å; R335-S338 WeakPolarHBondContact O-CB 3.47Å; R335-S338 PolarHBondContact O-N 2.94Å; R335-S338 VanDerWaalsContact O-N 3.09Å; L336-S338 PolarHBondContact O-N 3.19Å; S338-T340 PolarHBondContact O-N 3.33Å; S338-N341 PolarHBondContact O-N 3.02Å; S338-G342 PolarHBondContact O-N 3.13Å
339	L	95.9	Very high	95.2	Very high	32 Å²	32	64.7 Å²	64.7	17%	0.168	34%	0.335	C	S	.	.	H	α-helix	trans	-66	-37.6	178.4	-75.2	173.2	0	0	0	111.3	V34 L104 R335 L336 T337 N341 G342 L343	V34-L339 HydrophobicContact CG1-CD2 4.47Å; L104-L339 HydrophobicContact CD2-CD2 4.25Å; R335-L339 HydrophobicContact CG-CD1 4.41Å; R335-L339 PolarHBondContact O-N 3.08Å; L336-L339 PolarHBondContact O-N 2.97Å; T337-L339 VanDerWaalsContact C-N 3.27Å; T337-L339 PolarHBondContact O-N 3.36Å; L339-N341 VanDerWaalsContact C-N 3.27Å; L339-G342 WeakPolarHBondContact O-CA 3.4Å; L339-G342 PolarHBondContact O-N 3.44Å; L339-L343 WeakPolarHBondContact O-CG 3.08Å; L339-L343 PolarHBondContact O-N 3.4Å
340	T	97.1	Very high	95.3	Very high	79 Å²	79	62 Å²	62	49%	0.485	33%	0.325	S	S	.	.	H	α-helix	trans	-66.1	-44.4	176.9	-59.8	0	0	0	0	110	L336 T337 S338 G342 L343 T344	L336-T340 WeakPolarHBondContact O-CB 3.49Å; L336-T340 PolarHBondContact O-N 3.15Å; L336-T340 PolarHBondContact O-OG1 3.21Å; T337-T340 WeakPolarHBondContact O-CB 3.39Å; T337-T340 PolarHBondContact O-N 2.89Å; S338-T340 PolarHBondContact O-N 3.33Å; T340-G342 PolarHBondContact O-N 3.5Å; T340-L343 WeakPolarHBondContact O-CB 3.39Å; T340-L343 PolarHBondContact O-N 3.32Å; T340-L343 VanDerWaalsContact O-N 3.08Å; T340-T344 WeakPolarHBondContact O-CG2 3.33Å; T340-T344 PolarHBondContact O-N 3.39Å
341	N	95.6	Very high	95.4	Very high	88 Å²	88	62.5 Å²	62.5	47%	0.471	33%	0.325	S	S	.	.	H	α-helix	trans	-60.5	-39.2	176.2	-72.2	-20.5	0	0	0	110.8	T337 S338 L339 L343 T344 V345	T337-N341 WeakPolarHBondContact O-CB 3.44Å; T337-N341 PolarHBondContact O-N 2.94Å; T337-N341 PolarHBondContact O-ND2 3.39Å; S338-N341 PolarHBondContact O-N 3.02Å; L339-N341 VanDerWaalsContact C-N 3.27Å; N341-L343 PolarHBondContact O-N 2.98Å; N341-T344 WeakPolarHBondContact CA-OG1 3.4Å; N341-T344 WeakPolarHBondContact O-CB 3.13Å; N341-T344 PolarHBondContact O-N 3.29Å; N341-T344 VanDerWaalsContact O-N 3.12Å; N341-T344 PolarHBondContact O-OG1 2.91Å; N341-V345 WeakPolarHBondContact O-CG2 3.47Å; N341-V345 PolarHBondContact O-N 3.46Å
342	G	95.8	Very high	95.5	Very high	8 Å²	8	66.5 Å²	66.5	8%	0.082	35%	0.346	C	S	.	.	H	α-helix	trans	-53.9	-42.8	173.5	0	0	0	0	0	112.9	L100 S338 L339 T340 T344 V345 Y346	L100-G342 WeakPolarHBondContact CD1-O 3.21Å; S338-G342 PolarHBondContact O-N 3.13Å; L339-G342 WeakPolarHBondContact O-CA 3.4Å; L339-G342 PolarHBondContact O-N 3.44Å; T340-G342 PolarHBondContact O-N 3.5Å; G342-T344 PolarHBondContact O-N 3.3Å; G342-V345 PolarHBondContact O-N 3.31Å; G342-Y346 PolarHBondContact O-N 3.38Å
343	L	96.5	Very high	95.6	Very high	117 Å²	117	64.5 Å²	64.5	61%	0.613	34%	0.338	S	S	*	.	H	α-helix	trans	-65.1	-40.9	178.4	-70.2	173.7	0	0	0	110.7	L339 T340 N341 V345 Y346 R347	L339-L343 WeakPolarHBondContact O-CG 3.08Å; L339-L343 PolarHBondContact O-N 3.4Å; T340-L343 WeakPolarHBondContact O-CB 3.39Å; T340-L343 PolarHBondContact O-N 3.32Å; T340-L343 VanDerWaalsContact O-N 3.08Å; N341-L343 PolarHBondContact O-N 2.98Å; L343-V345 PolarHBondContact O-N 3.44Å; L343-Y346 WeakPolarHBondContact O-CB 3.42Å; L343-Y346 PolarHBondContact O-N 2.95Å; L343-R347 PolarHBondContact O-N 3.28Å
344	T	96.4	Very high	95.6	Very high	60 Å²	60	63.8 Å²	63.8	37%	0.368	33%	0.333	S	S	.	.	H	α-helix	trans	-64.1	-39.6	-179.6	53.6	0	0	0	0	110.2	T340 N341 G342 Y346 R347 N348	T340-T344 WeakPolarHBondContact O-CG2 3.33Å; T340-T344 PolarHBondContact O-N 3.39Å; N341-T344 WeakPolarHBondContact CA-OG1 3.4Å; N341-T344 WeakPolarHBondContact O-CB 3.13Å; N341-T344 PolarHBondContact O-N 3.29Å; N341-T344 VanDerWaalsContact O-N 3.12Å; N341-T344 PolarHBondContact O-OG1 2.91Å; G342-T344 PolarHBondContact O-N 3.3Å; T344-Y346 PolarHBondContact O-N 3.23Å; T344-R347 PolarHBondContact O-N 3.21Å; T344-N348 WeakPolarHBondContact O-CB 3.26Å; T344-N348 PolarHBondContact O-N 3.43Å; T344-N348 PolarHBondContact O-ND2 3.43Å
345	V	95.9	Very high	95.7	Very high	30 Å²	30	64.2 Å²	64.2	18%	0.182	34%	0.34	C	S	.	.	H	α-helix	trans	-64.6	-43.2	179.6	170.1	0	0	0	0	109	D99 N341 G342 L343 R347 N348 T349	D99-V345 HydrophobicContact CB-CG1 3.55Å; N341-V345 WeakPolarHBondContact O-CG2 3.47Å; N341-V345 PolarHBondContact O-N 3.46Å; G342-V345 PolarHBondContact O-N 3.31Å; L343-V345 PolarHBondContact O-N 3.44Å; V345-R347 VanDerWaalsContact C-N 3.28Å; V345-R347 PolarHBondContact O-N 3.38Å; V345-N348 PolarHBondContact O-N 3.07Å; V345-T349 HydrophobicContact CG1-CG2 3.98Å; V345-T349 WeakPolarHBondContact O-CB 3.02Å; V345-T349 WeakPolarHBondContact O-CG2 3.37Å; V345-T349 PolarHBondContact O-N 3.33Å; V345-T349 PolarHBondContact O-OG1 2.9Å
346	Y	96.4	Very high	95.7	Very high	75 Å²	75	65.9 Å²	65.9	29%	0.294	35%	0.352	S	S	.	.	H	α-helix	trans	-59.6	-47.4	178.1	-179.4	-115.8	0	0	0	111.5	F38 K41 L96 G342 L343 T344 N348 T349 L350	F38-Y346 AromaticContact CE1-CD2 3.66Å; F38-Y346 HydrophobicContact CE1-CD2 3.66Å; F38-Y346 AromaticContact CE1-CE2 4Å; F38-Y346 HydrophobicContact CE1-CE2 4Å; F38-Y346 HydrophobicContact CE1-CG 4.15Å; F38-Y346 HydrophobicContact CZ-CD2 4.38Å; F38-Y346 HydrophobicContact CZ-CG 4.44Å; K41-Y346 HydrophobicContact CD-CE2 4.48Å; K41-Y346 VanDerWaalsContact NZ-CD2 3.28Å; K41-Y346 PolarHBondContact NZ-OH 2.9Å; L96-Y346 HydrophobicContact CD2-CD2 3.89Å; G342-Y346 PolarHBondContact O-N 3.38Å; L343-Y346 WeakPolarHBondContact O-CB 3.42Å; L343-Y346 PolarHBondContact O-N 2.95Å; T344-Y346 PolarHBondContact O-N 3.23Å; Y346-N348 VanDerWaalsContact C-N 3.28Å; Y346-N348 PolarHBondContact O-N 3.1Å; Y346-T349 VanDerWaalsContact C-OG1 3.23Å; Y346-T349 WeakPolarHBondContact CA-OG1 2.85Å; Y346-T349 PolarHBondContact O-N 2.93Å; Y346-T349 PolarHBondContact O-OG1 3.41Å; Y346-L350 HydrophobicContact CD1-CD1 4.27Å; Y346-L350 HydrophobicContact CE1-CD1 3.73Å; Y346-L350 HydrophobicContact CE2-CD1 4.3Å; Y346-L350 WeakPolarHBondContact O-CG 3.31Å; Y346-L350 PolarHBondContact O-N 3.39Å
347	R	97.2	Very high	95.7	Very high	173 Å²	173	65.5 Å²	65.5	65%	0.653	35%	0.345	S	S	*	.	H	α-helix	trans	-61.3	-45.9	178.4	178.6	-174.4	171.1	-176.1	0.2	110.7	L343 T344 V345 T349 L350 D351	L343-R347 PolarHBondContact O-N 3.28Å; T344-R347 PolarHBondContact O-N 3.21Å; V345-R347 VanDerWaalsContact C-N 3.28Å; V345-R347 PolarHBondContact O-N 3.38Å; R347-T349 PolarHBondContact O-N 3.32Å; R347-L350 WeakPolarHBondContact O-CB 3.35Å; R347-L350 PolarHBondContact O-N 3.48Å; R347-L350 VanDerWaalsContact O-N 3.1Å; R347-D351 IonicContact NE-OD2 3.54Å; R347-D351 PolarHBondContact O-N 2.84Å
348	N	96.3	Very high	95.7	Very high	80 Å²	80	68.6 Å²	68.6	43%	0.428	35%	0.354	S	S	.	.	H	α-helix	trans	-64.4	-36.8	-177	-71.6	-20.6	0	0	0	110.9	T344 V345 Y346 L350 D351 D352	T344-N348 WeakPolarHBondContact O-CB 3.26Å; T344-N348 PolarHBondContact O-N 3.43Å; T344-N348 PolarHBondContact O-ND2 3.43Å; V345-N348 PolarHBondContact O-N 3.07Å; Y346-N348 VanDerWaalsContact C-N 3.28Å; Y346-N348 PolarHBondContact O-N 3.1Å; N348-L350 PolarHBondContact O-N 2.86Å; N348-D351 PolarHBondContact O-N 3.34Å; N348-D352 WeakPolarHBondContact O-CB 3.38Å; N348-D352 PolarHBondContact O-N 2.86Å
349	T	95.5	Very high	95.7	Very high	4 Å²	4	69.1 Å²	69.1	3%	0.025	36%	0.361	C	S	.	.	H	α-helix	trans	-63	-37.4	178.7	54.2	0	0	0	0	110.7	N95 L96 V345 Y346 R347 D351 D352 T353	N95-T349 HydrophobicContact CB-CG2 3.55Å; L96-T349 HydrophobicContact CD2-CG2 4.42Å; V345-T349 HydrophobicContact CG1-CG2 3.98Å; V345-T349 WeakPolarHBondContact O-CB 3.02Å; V345-T349 WeakPolarHBondContact O-CG2 3.37Å; V345-T349 PolarHBondContact O-N 3.33Å; V345-T349 PolarHBondContact O-OG1 2.9Å; Y346-T349 VanDerWaalsContact C-OG1 3.23Å; Y346-T349 WeakPolarHBondContact CA-OG1 2.85Å; Y346-T349 PolarHBondContact O-N 2.93Å; Y346-T349 PolarHBondContact O-OG1 3.41Å; R347-T349 PolarHBondContact O-N 3.32Å; T349-D351 VanDerWaalsContact C-N 3.26Å; T349-D352 PolarHBondContact O-N 3.37Å; T349-T353 WeakPolarHBondContact O-CG2 3.35Å; T349-T353 PolarHBondContact O-N 3.43Å; T349-T353 PolarHBondContact O-OG1 3.14Å
350	L	94.3	Very high	95.7	Very high	68 Å²	68	68 Å²	68	36%	0.356	36%	0.355	S	S	.	.	H	α-helix	trans	-72	-37.4	177.6	-66.9	176.9	0	0	0	110.9	Y346 R347 N348 D352 T353 L354	Y346-L350 HydrophobicContact CD1-CD1 4.27Å; Y346-L350 HydrophobicContact CE1-CD1 3.73Å; Y346-L350 HydrophobicContact CE2-CD1 4.3Å; Y346-L350 WeakPolarHBondContact O-CG 3.31Å; Y346-L350 PolarHBondContact O-N 3.39Å; R347-L350 WeakPolarHBondContact O-CB 3.35Å; R347-L350 PolarHBondContact O-N 3.48Å; R347-L350 VanDerWaalsContact O-N 3.1Å; N348-L350 PolarHBondContact O-N 2.86Å; L350-D352 PolarHBondContact O-N 3.31Å; L350-T353 PolarHBondContact O-N 3.48Å; L350-T353 PolarHBondContact O-OG1 2.84Å; L350-L354 PolarHBondContact O-N 3.17Å
351	D	95.4	Very high	95.7	Very high	75 Å²	75	68 Å²	68	40%	0.401	35%	0.351	S	S	.	.	H	α-helix	trans	-69	-31.9	-179.6	-81.2	-16	0	0	0	110.5	R347 N348 T349 T353 P355	R347-D351 IonicContact NE-OD2 3.54Å; R347-D351 PolarHBondContact O-N 2.84Å; N348-D351 PolarHBondContact O-N 3.34Å; T349-D351 VanDerWaalsContact C-N 3.26Å; D351-T353 PolarHBondContact O-N 3.12Å; D351-P355 WeakPolarHBondContact O-CD 3.42Å
352	D	93.5	Very high	95.7	Very high	93 Å²	93	68.5 Å²	68.5	50%	0.497	35%	0.354	S	S	.	.	H	α-helix	trans	-74.5	-25.3	-177.2	-71.1	-15.4	0	0	0	110.3	N348 T349 L350	N348-D352 WeakPolarHBondContact O-CB 3.38Å; N348-D352 PolarHBondContact O-N 2.86Å; T349-D352 PolarHBondContact O-N 3.37Å; L350-D352 PolarHBondContact O-N 3.31Å
353	T	94	Very high	95.7	Very high	14 Å²	14	72.5 Å²	72.5	9%	0.086	37%	0.37	C	S	.	.	H	α-helix	trans	-91.6	-14.6	-175.4	57.4	0	0	0	0	110.5	I92 T349 L350 D351 T356 W357	I92-T353 HydrophobicContact CD1-CG2 4.08Å; I92-T353 HydrophobicContact CG1-CG2 3.52Å; T349-T353 WeakPolarHBondContact O-CG2 3.35Å; T349-T353 PolarHBondContact O-N 3.43Å; T349-T353 PolarHBondContact O-OG1 3.14Å; L350-T353 PolarHBondContact O-N 3.48Å; L350-T353 PolarHBondContact O-OG1 2.84Å; D351-T353 PolarHBondContact O-N 3.12Å; T353-T356 PolarHBondContact O-N 3.33Å; T353-W357 PolarHBondContact O-N 3.26Å; T353-W357 VanDerWaalsContact O-N 3.16Å
354	L	95.5	Very high	95.6	Very high	79 Å²	79	68.4 Å²	68.4	41%	0.414	35%	0.35	S	S	.	.	H	α-helix	trans	-71.6	-46.1	-171.9	-175.6	61.5	0	0	0	110.9	L350 T356 W357 K358	L350-L354 PolarHBondContact O-N 3.17Å; L354-T356 PolarHBondContact O-N 2.93Å; L354-W357 PolarHBondContact O-N 3.01Å; L354-W357 VanDerWaalsContact O-N 3.1Å; L354-K358 HydrophobicContact CG-CD 4.46Å; L354-K358 WeakPolarHBondContact O-CG 2.91Å; L354-K358 PolarHBondContact O-N 3.36Å
355	P	95.5	Very high	95.6	Very high	80 Å²	80	67.9 Å²	67.9	52%	0.519	35%	0.352	S	S	.	.	H	α-helix	trans	-61.4	-41.3	-179.2	-24.7	33.3	0	0	0	111.6	D351 W357 K358 A359	D351-P355 WeakPolarHBondContact O-CD 3.42Å; P355-W357 PolarHBondContact O-N 2.99Å; P355-K358 PolarHBondContact O-N 3.33Å; P355-A359 PolarHBondContact O-N 3.2Å
356	T	95	Very high	95.6	Very high	52 Å²	52	71.1 Å²	71.1	32%	0.319	37%	0.368	S	S	.	.	H	α-helix	trans	-60.9	-41.5	177.8	-55.5	0	0	0	0	110.9	L88 T353 L354 K358 A359 V360	L88-T356 HydrophobicContact CD1-CG2 4.42Å; L88-T356 HydrophobicContact CD2-CG2 3.66Å; L88-T356 HydrophobicContact CG-CG2 4.41Å; T353-T356 PolarHBondContact O-N 3.33Å; L354-T356 PolarHBondContact O-N 2.93Å; T356-K358 PolarHBondContact O-N 3.25Å; T356-A359 WeakPolarHBondContact O-CB 3.19Å; T356-A359 PolarHBondContact O-N 3.02Å; T356-V360 WeakPolarHBondContact O-CG2 3.23Å; T356-V360 PolarHBondContact O-N 3.35Å; T356-V360 VanDerWaalsContact O-N 3.1Å
357	W	95.8	Very high	95.4	Very high	74 Å²	74	67.9 Å²	67.9	28%	0.28	36%	0.357	S	S	.	.	H	α-helix	trans	-67.4	-38.9	179.2	-175.1	-125.1	0	0	0	111	E85 L88 T353 L354 P355 A359 V360 I361	E85-W357 HydrophobicContact CB-CE3 4.13Å; E85-W357 HydrophobicContact CB-CH2 3.45Å; E85-W357 VanDerWaalsContact CB-CH2 3.45Å; E85-W357 HydrophobicContact CB-CZ3 3.16Å; E85-W357 HydrophobicContact CG-CE3 4.4Å; E85-W357 HydrophobicContact CG-CH2 3.61Å; E85-W357 HydrophobicContact CG-CZ2 4.32Å; E85-W357 HydrophobicContact CG-CZ3 3.66Å; E85-W357 WeakPolarHBondContact OE2-CH2 3.47Å; L88-W357 HydrophobicContact CD1-CB 3.77Å; L88-W357 HydrophobicContact CD1-CD2 4.2Å; L88-W357 HydrophobicContact CD1-CE3 3.53Å; L88-W357 HydrophobicContact CD1-CG 4.35Å; L88-W357 HydrophobicContact CD1-CZ3 4.46Å; T353-W357 PolarHBondContact O-N 3.26Å; T353-W357 VanDerWaalsContact O-N 3.16Å; L354-W357 PolarHBondContact O-N 3.01Å; L354-W357 VanDerWaalsContact O-N 3.1Å; P355-W357 PolarHBondContact O-N 2.99Å; W357-A359 PolarHBondContact O-N 2.87Å; W357-V360 HydrophobicContact CE3-CB 4.15Å; W357-V360 HydrophobicContact CE3-CG1 4.35Å; W357-V360 HydrophobicContact CZ3-CB 4.37Å; W357-V360 HydrophobicContact CZ3-CG1 4.06Å; W357-V360 WeakPolarHBondContact O-CB 3.47Å; W357-V360 PolarHBondContact O-N 3.48Å; W357-I361 HydrophobicContact CD2-CG1 4.46Å; W357-I361 HydrophobicContact CG-CD1 4.28Å; W357-I361 HydrophobicContact CZ2-CG1 4.47Å; W357-I361 WeakPolarHBondContact O-CG1 2.9Å; W357-I361 PolarHBondContact O-N 3.04Å
358	K	96.4	Very high	95.3	Very high	123 Å²	123	64.9 Å²	64.9	54%	0.535	35%	0.352	S	S	.	.	H	α-helix	trans	-60.9	-39.3	176.7	-78.9	-176.2	179.3	178.4	0	110.8	L354 P355 T356 V360 I361 N362	L354-K358 HydrophobicContact CG-CD 4.46Å; L354-K358 WeakPolarHBondContact O-CG 2.91Å; L354-K358 PolarHBondContact O-N 3.36Å; P355-K358 PolarHBondContact O-N 3.33Å; T356-K358 PolarHBondContact O-N 3.25Å; K358-V360 PolarHBondContact O-N 3.04Å; K358-I361 PolarHBondContact O-N 3.37Å; K358-N362 PolarHBondContact O-N 3.35Å; K358-N362 PolarHBondContact O-ND2 3.28Å
359	A	96.4	Very high	95.2	Very high	48 Å²	48	65.2 Å²	65.2	40%	0.397	36%	0.361	S	S	.	.	H	α-helix	trans	-63.6	-36.9	178.8	0	0	0	0	0	110.7	P355 T356 W357 I361 N362 E363	P355-A359 PolarHBondContact O-N 3.2Å; T356-A359 WeakPolarHBondContact O-CB 3.19Å; T356-A359 PolarHBondContact O-N 3.02Å; W357-A359 PolarHBondContact O-N 2.87Å; A359-I361 VanDerWaalsContact C-N 3.29Å; A359-I361 PolarHBondContact O-N 3.38Å; A359-N362 PolarHBondContact O-N 3.07Å; A359-E363 WeakPolarHBondContact O-CG 3.4Å; A359-E363 PolarHBondContact O-N 3.32Å
360	V	96.2	Very high	95.1	Very high	7 Å²	7	71.1 Å²	71.1	4%	0.042	39%	0.392	C	S	.	.	H	α-helix	trans	-68.8	-40.6	179.8	170.7	0	0	0	0	109.7	A81 M84 T356 W357 K358 N362 E363 V364	A81-V360 HydrophobicContact CB-CG1 3.4Å; M84-V360 HydrophobicContact CB-CG2 3.81Å; M84-V360 HydrophobicContact CG-CG2 4.21Å; T356-V360 WeakPolarHBondContact O-CG2 3.23Å; T356-V360 PolarHBondContact O-N 3.35Å; T356-V360 VanDerWaalsContact O-N 3.1Å; W357-V360 HydrophobicContact CE3-CB 4.15Å; W357-V360 HydrophobicContact CE3-CG1 4.35Å; W357-V360 HydrophobicContact CZ3-CB 4.37Å; W357-V360 HydrophobicContact CZ3-CG1 4.06Å; W357-V360 WeakPolarHBondContact O-CB 3.47Å; W357-V360 PolarHBondContact O-N 3.48Å; K358-V360 PolarHBondContact O-N 3.04Å; V360-N362 PolarHBondContact O-N 2.94Å; V360-E363 WeakPolarHBondContact O-CB 3.13Å; V360-E363 PolarHBondContact O-N 3.1Å; V360-E363 VanDerWaalsContact O-N 3.11Å; V360-V364 WeakPolarHBondContact O-CG2 3.42Å; V360-V364 PolarHBondContact O-N 3.09Å
361	I	95.9	Very high	95	Very high	81 Å²	81	69.4 Å²	69.4	42%	0.415	39%	0.388	S	S	.	.	H	α-helix	trans	-63.4	-39.3	178.8	-69.7	173.6	0	0	0	109.8	W357 K358 A359 E363 V364 A365	W357-I361 HydrophobicContact CD2-CG1 4.46Å; W357-I361 HydrophobicContact CG-CD1 4.28Å; W357-I361 HydrophobicContact CZ2-CG1 4.47Å; W357-I361 WeakPolarHBondContact O-CG1 2.9Å; W357-I361 PolarHBondContact O-N 3.04Å; K358-I361 PolarHBondContact O-N 3.37Å; A359-I361 VanDerWaalsContact C-N 3.29Å; A359-I361 PolarHBondContact O-N 3.38Å; I361-E363 PolarHBondContact O-N 3.16Å; I361-V364 WeakPolarHBondContact O-CB 3.49Å; I361-V364 PolarHBondContact O-N 3.38Å; I361-A365 PolarHBondContact O-N 3.29Å
362	N	96.2	Very high	94.9	Very high	98 Å²	98	68.5 Å²	68.5	52%	0.524	38%	0.383	S	S	.	.	H	α-helix	trans	-66.7	-34.8	178.5	-76.2	-23.1	0	0	0	111.1	K358 A359 V360 V364 A365 N366	K358-N362 PolarHBondContact O-N 3.35Å; K358-N362 PolarHBondContact O-ND2 3.28Å; A359-N362 PolarHBondContact O-N 3.07Å; V360-N362 PolarHBondContact O-N 2.94Å; N362-V364 PolarHBondContact O-N 3.42Å; N362-A365 WeakPolarHBondContact O-CB 3.41Å; N362-A365 PolarHBondContact O-N 3.43Å; N362-N366 PolarHBondContact O-N 3.39Å; N362-N366 PolarHBondContact O-ND2 3.25Å
363	E	94.6	Very high	94.7	Very high	92 Å²	92	68.4 Å²	68.4	43%	0.43	39%	0.388	S	S	.	.	H	α-helix	trans	-65.7	-40.5	176.3	-74.8	-176.4	178.4	0	0	110.8	A359 V360 I361 A365 N366 A367	A359-E363 WeakPolarHBondContact O-CG 3.4Å; A359-E363 PolarHBondContact O-N 3.32Å; V360-E363 WeakPolarHBondContact O-CB 3.13Å; V360-E363 PolarHBondContact O-N 3.1Å; V360-E363 VanDerWaalsContact O-N 3.11Å; I361-E363 PolarHBondContact O-N 3.16Å; E363-A365 PolarHBondContact O-N 2.97Å; E363-N366 WeakPolarHBondContact O-CB 3.45Å; E363-N366 PolarHBondContact O-N 2.92Å; E363-A367 PolarHBondContact O-N 3.23Å
364	V	95.7	Very high	94.4	Very high	30 Å²	30	72.8 Å²	72.8	18%	0.182	41%	0.41	C	S	.	.	H	α-helix	trans	-64.5	-39.8	176.8	171.4	0	0	0	0	110	I78 A81 V360 I361 N362 N366 A367 I368	I78-V364 HydrophobicContact CG1-CG1 4.27Å; A81-V364 HydrophobicContact CB-CG2 3.57Å; V360-V364 WeakPolarHBondContact O-CG2 3.42Å; V360-V364 PolarHBondContact O-N 3.09Å; I361-V364 WeakPolarHBondContact O-CB 3.49Å; I361-V364 PolarHBondContact O-N 3.38Å; N362-V364 PolarHBondContact O-N 3.42Å; V364-N366 PolarHBondContact O-N 3.34Å; V364-A367 WeakPolarHBondContact O-CB 3.43Å; V364-A367 PolarHBondContact O-N 3.36Å; V364-A367 VanDerWaalsContact O-N 3.09Å; V364-I368 HydrophobicContact CG1-CD1 3.97Å; V364-I368 HydrophobicContact CG1-CG1 4.36Å; V364-I368 VanDerWaalsContact O-CG1 3.24Å; V364-I368 WeakPolarHBondContact O-CG1 3.33Å; V364-I368 PolarHBondContact O-N 3.37Å
365	A	95.8	Very high	94.1	Very high	49 Å²	49	73 Å²	73	41%	0.405	41%	0.411	S	S	.	.	H	α-helix	trans	-62	-39.9	178	0	0	0	0	0	110.5	I361 N362 E363 A367 I368 S369	I361-A365 PolarHBondContact O-N 3.29Å; N362-A365 WeakPolarHBondContact O-CB 3.41Å; N362-A365 PolarHBondContact O-N 3.43Å; E363-A365 PolarHBondContact O-N 2.97Å; A365-A367 PolarHBondContact O-N 2.72Å; A365-I368 PolarHBondContact O-N 2.48Å; A365-S369 PolarHBondContact O-N 3.47Å
366	N	95.2	Very high	93.8	Very high	98 Å²	98	70.5 Å²	70.5	52%	0.524	39%	0.393	S	S	.	.	H	α-helix	trans	-64.8	-38.9	177.4	-70.2	-22.2	0	0	0	111	N362 E363 V364 I368 S369 L370	N362-N366 PolarHBondContact O-N 3.39Å; N362-N366 PolarHBondContact O-ND2 3.25Å; E363-N366 WeakPolarHBondContact O-CB 3.45Å; E363-N366 PolarHBondContact O-N 2.92Å; V364-N366 PolarHBondContact O-N 3.34Å; N366-I368 PolarHBondContact O-N 3.2Å; N366-S369 VanDerWaalsContact C-OG 3.27Å; N366-S369 WeakPolarHBondContact CA-OG 3.31Å; N366-S369 PolarHBondContact O-N 3.43Å; N366-S369 VanDerWaalsContact O-N 3.14Å; N366-S369 PolarHBondContact O-OG 2.94Å; N366-L370 WeakPolarHBondContact O-CG 3.49Å; N366-L370 PolarHBondContact O-N 2.65Å; N366-L370 VanDerWaalsContact O-N 3.09Å
367	A	93.9	Very high	93.3	Very high	7 Å²	7	71.8 Å²	71.8	6%	0.058	40%	0.397	C	S	.	.	H	α-helix	trans	-65.1	-36.2	179	0	0	0	0	0	111.3	A74 R77 E363 V364 A365 S369 L370 A371	A74-A367 HydrophobicContact CB-CB 4.32Å; R77-A367 HydrophobicContact CB-CB 3.74Å; R77-A367 HydrophobicContact CG-CB 3.72Å; E363-A367 PolarHBondContact O-N 3.23Å; V364-A367 WeakPolarHBondContact O-CB 3.43Å; V364-A367 PolarHBondContact O-N 3.36Å; V364-A367 VanDerWaalsContact O-N 3.09Å; A365-A367 PolarHBondContact O-N 2.72Å; A367-S369 PolarHBondContact O-N 3.05Å; A367-L370 PolarHBondContact O-N 3.16Å; A367-A371 PolarHBondContact O-N 2.62Å; A367-A371 VanDerWaalsContact O-N 3.11Å
368	I	94.2	Very high	92.7	Very high	110 Å²	110	72.4 Å²	72.4	56%	0.564	40%	0.404	S	S	*	.	H	α-helix	trans	-69.8	-36.1	179.1	-68.2	172.8	0	0	0	109.4	V364 A365 N366 L370 A371	V364-I368 HydrophobicContact CG1-CD1 3.97Å; V364-I368 HydrophobicContact CG1-CG1 4.36Å; V364-I368 VanDerWaalsContact O-CG1 3.24Å; V364-I368 WeakPolarHBondContact O-CG1 3.33Å; V364-I368 PolarHBondContact O-N 3.37Å; A365-I368 PolarHBondContact O-N 2.48Å; N366-I368 PolarHBondContact O-N 3.2Å; I368-L370 PolarHBondContact O-N 3.23Å; I368-A371 WeakPolarHBondContact O-CB 3.39Å; I368-A371 PolarHBondContact O-N 3.06Å
369	S	94.1	Very high	92	Very high	88 Å²	88	69 Å²	69	62%	0.615	40%	0.395	S	S	*	.	H	α-helix	trans	-68.2	-26.4	179	67.8	0	0	0	0	111.1	A365 N366 A367	A365-S369 PolarHBondContact O-N 3.47Å; N366-S369 VanDerWaalsContact C-OG 3.27Å; N366-S369 WeakPolarHBondContact CA-OG 3.31Å; N366-S369 PolarHBondContact O-N 3.43Å; N366-S369 VanDerWaalsContact O-N 3.14Å; N366-S369 PolarHBondContact O-OG 2.94Å; A367-S369 PolarHBondContact O-N 3.05Å
370	L	93.6	Very high	91.3	Very high	127 Å²	127	72.3 Å²	72.3	67%	0.665	40%	0.401	S	S	*	.	H	α-helix	trans	-88.1	-11.8	-177.8	-70.9	173.1	0	0	0	110.3	N366 A367 I368 D372	N366-L370 WeakPolarHBondContact O-CG 3.49Å; N366-L370 PolarHBondContact O-N 2.65Å; N366-L370 VanDerWaalsContact O-N 3.09Å; A367-L370 PolarHBondContact O-N 3.16Å; I368-L370 PolarHBondContact O-N 3.23Å; L370-D372 PolarHBondContact O-N 2.85Å
371	A	92.9	Very high	90.2	Very high	33 Å²	33	75.8 Å²	75.8	27%	0.273	41%	0.413	S	S	.	.			trans	-74	0	-178.5	0	0	0	0	0	110.8	V71 A74 A367 I368	V71-A371 HydrophobicContact CG2-CB 4.36Å; A74-A371 HydrophobicContact CB-CB 4.16Å; A367-A371 PolarHBondContact O-N 2.62Å; A367-A371 VanDerWaalsContact O-N 3.11Å; I368-A371 WeakPolarHBondContact O-CB 3.39Å; I368-A371 PolarHBondContact O-N 3.06Å
372	D	91.8	Very high	89.1	Confident	56 Å²	56	75.7 Å²	75.7	30%	0.299	41%	0.411	S	S	.	.				0	111	0	-174.7	-2.1	0	0	0	109.1	T70 L370 L374 L375 D376	T70-D372 PolarHBondContact OG1-N 2.86Å; T70-D372 PolarHBondContact OG1-O 3.41Å; L370-D372 PolarHBondContact O-N 2.85Å; D372-L374 PolarHBondContact O-N 3.44Å; D372-L374 WeakPolarHBondContact OD1-CB 3.44Å; D372-L374 PolarHBondContact OD1-N 3.3Å; D372-L375 HydrophobicContact CB-CB 4.01Å; D372-L375 HydrophobicContact CB-CD1 3.76Å; D372-L375 HydrophobicContact CB-CG 3.98Å; D372-L375 PolarHBondContact O-N 3.06Å; D372-L375 WeakPolarHBondContact OD2-CD1 3.39Å; D372-L375 WeakPolarHBondContact OD2-CG 3.24Å; D372-D376 PolarHBondContact O-N 3.29Å
373	P	90	Very high	87.9	Confident	91 Å²	91	76 Å²	76	59%	0.591	41%	0.405	S	S	*	.	H	α-helix	trans	-68.9	-30.2	-178.5	-25.2	34	0	0	0	111.6	V71 L375 D376 L377	V71-P373 HydrophobicContact CG2-CG 4.5Å; P373-L375 VanDerWaalsContact C-N 3.34Å; P373-D376 WeakPolarHBondContact O-CB 3.27Å; P373-D376 PolarHBondContact O-N 3.34Å; P373-L377 WeakPolarHBondContact O-CB 3.25Å; P373-L377 PolarHBondContact O-N 3.23Å
374	L	88.8	Confident	86.6	Confident	106 Å²	106	75.1 Å²	75.1	56%	0.555	41%	0.408	S	S	*	.	H	α-helix	trans	-70	-41.4	-177.7	-174.2	58.4	0	0	0	111.1	D372 D376 L377 Q378	D372-L374 PolarHBondContact O-N 3.44Å; D372-L374 WeakPolarHBondContact OD1-CB 3.44Å; D372-L374 PolarHBondContact OD1-N 3.3Å; L374-D376 PolarHBondContact O-N 2.93Å; L374-L377 WeakPolarHBondContact O-CB 3.37Å; L374-L377 PolarHBondContact O-N 2.91Å; L374-Q378 WeakPolarHBondContact O-CG 3.45Å; L374-Q378 PolarHBondContact O-N 3.3Å
375	L	88.2	Confident	85	Confident	84 Å²	84	75.3 Å²	75.3	44%	0.44	41%	0.407	S	S	.	.	H	α-helix	trans	-62.6	-36.8	176.5	-74.2	175.8	0	0	0	110.8	D372 P373 L377 Q378 S379	D372-L375 HydrophobicContact CB-CB 4.01Å; D372-L375 HydrophobicContact CB-CD1 3.76Å; D372-L375 HydrophobicContact CB-CG 3.98Å; D372-L375 PolarHBondContact O-N 3.06Å; D372-L375 WeakPolarHBondContact OD2-CD1 3.39Å; D372-L375 WeakPolarHBondContact OD2-CG 3.24Å; P373-L375 VanDerWaalsContact C-N 3.34Å; L375-L377 PolarHBondContact O-N 3.35Å; L375-Q378 PolarHBondContact O-N 3.41Å; L375-S379 PolarHBondContact O-N 2.92Å; L375-S379 PolarHBondContact O-OG 3.42Å
376	D	88.8	Confident	82.9	Confident	27 Å²	27	81.1 Å²	81.1	14%	0.144	43%	0.426	C	S	.	.	H	α-helix	trans	-68.6	-37.6	179.2	-72.9	-11.5	0	0	0	111.1	G69 T70 V71 D372 P373 L374 Q378 S379 F380	G69-D376 WeakPolarHBondContact CA-OD1 3.46Å; T70-D376 VanDerWaalsContact N-CG 3.32Å; T70-D376 PolarHBondContact N-OD1 3.18Å; T70-D376 PolarHBondContact N-OD2 3.38Å; T70-D376 PolarHBondContact OG1-OD1 3.41Å; T70-D376 PolarHBondContact OG1-OD2 3.39Å; V71-D376 VanDerWaalsContact CG2-OD2 3.25Å; V71-D376 WeakPolarHBondContact CG2-OD2 3.45Å; V71-D376 PolarHBondContact N-OD2 3Å; D372-D376 PolarHBondContact O-N 3.29Å; P373-D376 WeakPolarHBondContact O-CB 3.27Å; P373-D376 PolarHBondContact O-N 3.34Å; L374-D376 PolarHBondContact O-N 2.93Å; D376-Q378 PolarHBondContact O-N 2.96Å; D376-S379 PolarHBondContact O-N 3.39Å; D376-F380 VanDerWaalsContact O-CB 3.31Å; D376-F380 WeakPolarHBondContact O-CB 3.38Å; D376-F380 PolarHBondContact O-N 2.8Å
377	L	85.4	Confident	80.6	Confident	78 Å²	78	84.8 Å²	84.8	41%	0.408	44%	0.44	S	S	.	.	H	α-helix	trans	-65.1	-40.8	178.9	-171.2	67.1	0	0	0	110.9	P373 L374 L375 S379 F380 R381	P373-L377 WeakPolarHBondContact O-CB 3.25Å; P373-L377 PolarHBondContact O-N 3.23Å; L374-L377 WeakPolarHBondContact O-CB 3.37Å; L374-L377 PolarHBondContact O-N 2.91Å; L375-L377 PolarHBondContact O-N 3.35Å; L377-S379 PolarHBondContact O-N 3.34Å; L377-F380 WeakPolarHBondContact O-CB 3.37Å; L377-F380 PolarHBondContact O-N 3.44Å; L377-R381 PolarHBondContact O-N 2.91Å
378	Q	82.8	Confident	78.1	Confident	87 Å²	87	89 Å²	89	41%	0.407	46%	0.461	S	S	.	.	H	α-helix	trans	-63	-42.3	177.8	-74.2	179.4	-7.8	0	0	110.6	L374 L375 D376 F380 R381 H382	L374-Q378 WeakPolarHBondContact O-CG 3.45Å; L374-Q378 PolarHBondContact O-N 3.3Å; L375-Q378 PolarHBondContact O-N 3.41Å; D376-Q378 PolarHBondContact O-N 2.96Å; Q378-F380 VanDerWaalsContact C-N 3.31Å; Q378-R381 WeakPolarHBondContact O-CB 2.82Å; Q378-R381 PolarHBondContact O-N 3.43Å; Q378-H382 PolarHBondContact O-CD2 2.47Å; Q378-H382 PolarHBondContact O-N 3.1Å
379	S	82.1	Confident	75.7	Confident	51 Å²	51	92.3 Å²	92.3	36%	0.357	48%	0.479	S	S	.	.	H	α-helix	trans	-63.6	-43.1	177.3	-67	0	0	0	0	111	L375 D376 L377 R381 H382 R383	L375-S379 PolarHBondContact O-N 2.92Å; L375-S379 PolarHBondContact O-OG 3.42Å; D376-S379 PolarHBondContact O-N 3.39Å; L377-S379 PolarHBondContact O-N 3.34Å; S379-R381 PolarHBondContact O-N 3.25Å; S379-H382 PolarHBondContact O-N 3.32Å; S379-R383 WeakPolarHBondContact O-CG 3.4Å; S379-R383 PolarHBondContact O-N 3.43Å
380	F	80.8	Confident	73.1	Confident	119 Å²	119	93.4 Å²	93.4	52%	0.522	49%	0.487	S	S	.	.	H	α-helix	trans	-53.9	-38.1	175	176.4	-102.1	0	0	0	111.5	D376 L377 Q378 R383 S384	D376-F380 VanDerWaalsContact O-CB 3.31Å; D376-F380 WeakPolarHBondContact O-CB 3.38Å; D376-F380 PolarHBondContact O-N 2.8Å; L377-F380 WeakPolarHBondContact O-CB 3.37Å; L377-F380 PolarHBondContact O-N 3.44Å; Q378-F380 VanDerWaalsContact C-N 3.31Å; F380-R383 PolarHBondContact O-N 3.19Å; F380-S384 PolarHBondContact O-N 3.31Å; F380-S384 VanDerWaalsContact O-N 3.14Å
381	R	72.7	Confident	70.4	Confident	80 Å²	80	95.9 Å²	95.9	30%	0.302	50%	0.495	S	S	.	.	H	α-helix	trans	-74.5	-43.8	-177.8	-87	-169.5	-149.3	138.4	-2.4	110.5	L377 Q378 S379 R383 S384 H385 N671	L377-R381 PolarHBondContact O-N 2.91Å; Q378-R381 WeakPolarHBondContact O-CB 2.82Å; Q378-R381 PolarHBondContact O-N 3.43Å; S379-R381 PolarHBondContact O-N 3.25Å; R381-R383 PolarHBondContact O-N 3.39Å; R381-S384 VanDerWaalsContact C-OG 3.26Å; R381-S384 WeakPolarHBondContact CA-OG 3.35Å; R381-S384 PolarHBondContact O-N 3.29Å; R381-S384 PolarHBondContact O-OG 2.88Å; R381-H385 PolarHBondContact O-CE1 3.26Å; R381-H385 VanDerWaalsContact O-CE1 3.24Å; R381-H385 PolarHBondContact O-N 2.89Å; R381-H385 PolarHBondContact O-ND1 3.04Å; R381-N671 PolarHBondContact NE-ND2 2.96Å; R381-N671 CovalentContact NH1-ND2 1.62Å; R381-N671 PolarHBondContact NH1-ND2 3.37Å; R381-N671 PolarHBondContact NH1-OD1 2.96Å; R381-N671 VanDerWaalsContact NH2-CG 3.34Å; R381-N671 PolarHBondContact NH2-ND2 3.13Å; R381-N671 PolarHBondContact NH2-OD1 3.43Å
382	H	74.5	Confident	67.2	Low	78 Å²	78	102.2 Å²	102.2	36%	0.361	52%	0.521	S	S	.	.	H	α-helix	trans	-57.1	-37	178.1	-75.4	-54.5	0	0	0	110.9	Q378 S379 S384 H385 H386 K412	Q378-H382 PolarHBondContact O-CD2 2.47Å; Q378-H382 PolarHBondContact O-N 3.1Å; S379-H382 PolarHBondContact O-N 3.32Å; H382-S384 VanDerWaalsContact C-N 3.27Å; H382-S384 PolarHBondContact O-N 3.41Å; H382-H385 PolarHBondContact O-N 3.36Å; H382-H386 PolarHBondContact O-CD2 3Å; H382-K412 PolarHBondContact CE1-NZ 3.22Å; H382-K412 WeakPolarHBondContact ND1-CD 3.5Å; H382-K412 PolarHBondContact ND1-NZ 2.83Å; H382-K412 PolarHBondContact NE2-NZ 3.33Å
383	R	70.1	Confident	64	Low	106 Å²	106	104.2 Å²	104.2	40%	0.4	54%	0.539	S	S	.	.	H	α-helix	trans	-68.3	-33.3	179.3	-73.1	-168.4	-63.2	-99.3	-0.5	110.7	T67 S379 F380 R381 H385	T67-R383 PolarHBondContact OG1-NH2 3.34Å; S379-R383 WeakPolarHBondContact O-CG 3.4Å; S379-R383 PolarHBondContact O-N 3.43Å; F380-R383 PolarHBondContact O-N 3.19Å; R381-R383 PolarHBondContact O-N 3.39Å; R383-H385 PolarHBondContact O-N 2.85Å
384	S	67.3	Low	61.1	Low	72 Å²	72	104.6 Å²	104.6	50%	0.503	54%	0.542	S	S	.	.	H	α-helix	trans	-71.6	-13.9	-179.7	64.8	0	0	0	0	111.4	F380 R381 H382	F380-S384 PolarHBondContact O-N 3.31Å; F380-S384 VanDerWaalsContact O-N 3.14Å; R381-S384 VanDerWaalsContact C-OG 3.26Å; R381-S384 WeakPolarHBondContact CA-OG 3.35Å; R381-S384 PolarHBondContact O-N 3.29Å; R381-S384 PolarHBondContact O-OG 2.88Å; H382-S384 VanDerWaalsContact C-N 3.27Å; H382-S384 PolarHBondContact O-N 3.41Å
385	H	62.8	Low	58	Low	35 Å²	35	107.9 Å²	107.9	16%	0.162	55%	0.554	C	S	.	*	H	α-helix	trans	-96.9	-1	-171.8	-79.3	59.3	0	0	0	109.5	R381 H382 R383 Q387 K412 N413	R381-H385 PolarHBondContact O-CE1 3.26Å; R381-H385 VanDerWaalsContact O-CE1 3.24Å; R381-H385 PolarHBondContact O-N 2.89Å; R381-H385 PolarHBondContact O-ND1 3.04Å; H382-H385 PolarHBondContact O-N 3.36Å; R383-H385 PolarHBondContact O-N 2.85Å; H385-Q387 VanDerWaalsContact C-N 3.31Å; H385-Q387 PolarHBondContact O-N 3.34Å; H385-Q387 VanDerWaalsContact O-N 3.09Å; H385-K412 HydrophobicContact CB-CB 4.23Å; H385-K412 WeakPolarHBondContact CD2-CA 3.35Å; H385-K412 WeakPolarHBondContact CD2-CB 3.31Å; H385-K412 PolarHBondContact CD2-O 3.19Å; H385-K412 PolarHBondContact NE2-O 3.39Å; H385-N413 PolarHBondContact CD2-N 2.99Å
386	H	50.6	Low	55.1	Low	171 Å²	171	112.4 Å²	112.4	79%	0.792	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	0	-173.3	-99.1	-77.5	0	0	0	109.6	H382	H382-H386 PolarHBondContact O-CD2 3Å
387	Q	46.8	Very low	51.9	Low	175 Å²	175	115.6 Å²	115.6	82%	0.818	60%	0.598	S	S	*	*				0	0	0	-163.5	159.8	17.1	0	0	109.9	H385	H385-Q387 VanDerWaalsContact C-N 3.31Å; H385-Q387 PolarHBondContact O-N 3.34Å; H385-Q387 VanDerWaalsContact O-N 3.09Å
388	D	41.2	Very low	49.1	Very low	95 Å²	95	117.5 Å²	117.5	51%	0.508	61%	0.613	S	S	.	*	S	Bend		0	0	0	-82.1	-18.3	0	0	0	109.2	S390 F416	D388-S390 PolarHBondContact O-N 3.3Å; D388-F416 WeakPolarHBondContact OD2-CE2 3.35Å
389	L	44.3	Very low	46.4	Very low	180 Å²	180	120.9 Å²	120.9	94%	0.942	63%	0.634	S	S	*	*				0	45.3	0	-108.7	103.2	0	0	0	110.9
390	S	40.3	Very low	43.8	Very low	111 Å²	111	124 Å²	124	78%	0.776	66%	0.655	S	S	*	*			trans	-111.7	45.5	160.8	57.2	0	0	0	0	109.6	D388	D388-S390 PolarHBondContact O-N 3.3Å
391	Q	36.1	Very low	41.3	Very low	179 Å²	179	127.9 Å²	127.9	84%	0.836	67%	0.672	S	S	*	*			trans	-122.1	53.7	161.1	-84.8	-175.1	-0	0	0	109.8
392	M	26.4	Very low	39.2	Very low	165 Å²	165	131.7 Å²	131.7	81%	0.813	70%	0.698	S	S	*	*			trans	-121.9	72	146.7	-81.5	-139.6	99.7	0	0	109.5
393	S	24	Very low	37	Very low	98 Å²	98	137.4 Å²	137.4	69%	0.685	72%	0.722	S	S	*	*			trans	-35	0	141.8	53.6	0	0	0	0	111.6
394	P	30	Very low	34.9	Very low	100 Å²	100	140.4 Å²	140.4	65%	0.649	75%	0.745	S	S	*	*				0	118.8	0	24.4	-1	0	0	0	111.8
395	Q	22.8	Very low	33	Very low	175 Å²	175	142.7 Å²	142.7	82%	0.818	76%	0.756	S	S	*	*				40.6	107.3	112.3	-74.6	-152	-17.1	0	0	111.1
396	Q	26.4	Very low	31.3	Very low	178 Å²	178	148.2 Å²	148.2	83%	0.832	79%	0.787	S	S	*	*				163.4	112.7	124.5	-89.2	-179	16.1	0	0	109.3
397	S	23	Very low	30.3	Very low	95 Å²	95	143.3 Å²	143.3	66%	0.664	78%	0.783	S	S	*	*				52.6	112.9	104.6	67.5	0	0	0	0	111.2
398	T	26.2	Very low	29.7	Very low	117 Å²	117	139.8 Å²	139.8	72%	0.718	78%	0.777	S	S	*	*				143.4	112.8	115.9	56.9	0	0	0	0	108.9
399	N	25.5	Very low	29.6	Very low	158 Å²	158	140.6 Å²	140.6	85%	0.845	78%	0.781	S	S	*	*				93.6	111.3	110.2	-95.7	-5.4	0	0	0	110.7
400	S	28.8	Very low	29.5	Very low	116 Å²	116	140.8 Å²	140.8	81%	0.811	77%	0.774	S	S	*	*				133.8	0	116.1	57.9	0	0	0	0	109.4
401	K	27.5	Very low	29.8	Very low	202 Å²	202	137.2 Å²	137.2	88%	0.878	75%	0.749	S	S	*	*				0	85.4	0	-86.2	-176.4	-179.3	171	0	111.4
402	N	28.7	Very low	30.5	Very low	159 Å²	159	133.8 Å²	133.8	85%	0.85	73%	0.731	S	S	*	*			trans	162.8	89.4	138.1	-88.6	-8.4	0	0	0	109.5
403	K	28	Very low	31.7	Very low	198 Å²	198	126.9 Å²	126.9	86%	0.861	70%	0.698	S	S	*	*			trans	-163.1	96.7	151.1	-111.8	-179.4	-176.6	-177.3	0	109.4
404	L	25.3	Very low	33.3	Very low	170 Å²	170	127.3 Å²	127.3	89%	0.89	70%	0.696	S	S	*	*				-34.8	0	119	-128.6	98.3	0	0	0	111.5
405	T	28	Very low	34.9	Very low	120 Å²	120	123.5 Å²	123.5	74%	0.736	67%	0.674	S	S	*	*				0	93.8	0	56.5	0	0	0	0	108.8
406	D	27.5	Very low	37.2	Very low	151 Å²	151	119.3 Å²	119.3	81%	0.807	65%	0.654	S	S	*	*				151.8	71.7	127.4	-147.1	4.9	0	0	0	109.2	S408	D406-S408 PolarHBondContact O-N 2.89Å
407	G	29.6	Very low	39.4	Very low	68 Å²	68	113.4 Å²	113.4	70%	0.701	63%	0.632	S	S	*	*			trans	8.9	46.2	138.2	0	0	0	0	0	112.4	I409	G407-I409 PolarHBondContact O-N 3.42Å
408	S	34.9	Very low	42	Very low	100 Å²	100	111.7 Å²	111.7	70%	0.699	62%	0.615	S	S	*	*			trans	-56.5	57.3	164.9	161	0	0	0	0	110	D406 K410	D406-S408 PolarHBondContact O-N 2.89Å; S408-K410 PolarHBondContact O-N 2.92Å
409	I	37.5	Very low	44.6	Very low	113 Å²	113	107 Å²	107	58%	0.579	59%	0.585	S	S	*	*			trans	-11.5	57.9	147	-61.1	171	0	0	0	110.2	G407 S411	G407-I409 PolarHBondContact O-N 3.42Å; I409-S411 PolarHBondContact O-N 3.26Å; I409-S411 VanDerWaalsContact O-N 3.15Å
410	K	42.9	Very low	47.3	Very low	183 Å²	183	107.2 Å²	107.2	80%	0.796	57%	0.574	S	S	*	*			trans	-40.3	59.3	161.4	-73.9	-175.7	-176.6	-178.1	0	110.9	S408 K412	S408-K410 PolarHBondContact O-N 2.92Å; K410-K412 VanDerWaalsContact C-N 3.32Å; K410-K412 PolarHBondContact O-N 3.47Å; K410-K412 VanDerWaalsContact O-N 3.13Å
411	S	46.2	Very low	49.9	Very low	36 Å²	36	102 Å²	102	25%	0.252	54%	0.537	S	S	.	.			trans	-40.4	80.2	166.8	67.9	0	0	0	0	110.8	I409 N413	I409-S411 PolarHBondContact O-N 3.26Å; I409-S411 VanDerWaalsContact O-N 3.15Å; S411-N413 VanDerWaalsContact C-OD1 3.24Å; S411-N413 PolarHBondContact O-N 3.47Å; S411-N413 PolarHBondContact O-OD1 2.87Å; S411-N413 VanDerWaalsContact O-OD1 3.08Å; S411-N413 PolarHBondContact OG-OD1 3.22Å
412	K	51.7	Low	52.6	Low	107 Å²	107	94.5 Å²	94.5	47%	0.465	51%	0.506	S	S	.	.			trans	-21.5	76.3	152.2	-68.2	-179.3	-176.2	178.4	0	111.7	H382 H385 K410 D669	H382-K412 PolarHBondContact CE1-NZ 3.22Å; H382-K412 WeakPolarHBondContact ND1-CD 3.5Å; H382-K412 PolarHBondContact ND1-NZ 2.83Å; H382-K412 PolarHBondContact NE2-NZ 3.33Å; H385-K412 HydrophobicContact CB-CB 4.23Å; H385-K412 WeakPolarHBondContact CD2-CA 3.35Å; H385-K412 WeakPolarHBondContact CD2-CB 3.31Å; H385-K412 PolarHBondContact CD2-O 3.19Å; H385-K412 PolarHBondContact NE2-O 3.39Å; K410-K412 VanDerWaalsContact C-N 3.32Å; K410-K412 PolarHBondContact O-N 3.47Å; K410-K412 VanDerWaalsContact O-N 3.13Å; K412-D669 VanDerWaalsContact O-OD2 3.06Å
413	N	50.2	Low	54.8	Low	21 Å²	21	90.1 Å²	90.1	11%	0.112	48%	0.483	C	S	.	.			trans	-86.1	0	-166.8	-73.4	6.6	0	0	0	110.4	H385 S411 G415 F416 R666	H385-N413 PolarHBondContact CD2-N 2.99Å; S411-N413 VanDerWaalsContact C-OD1 3.24Å; S411-N413 PolarHBondContact O-N 3.47Å; S411-N413 PolarHBondContact O-OD1 2.87Å; S411-N413 VanDerWaalsContact O-OD1 3.08Å; S411-N413 PolarHBondContact OG-OD1 3.22Å; N413-G415 PolarHBondContact O-N 3.2Å; N413-F416 HydrophobicContact CB-CE1 4.45Å; N413-F416 HydrophobicContact CB-CE2 4.32Å; N413-F416 HydrophobicContact CB-CZ 3.96Å; N413-F416 VanDerWaalsContact ND2-CE1 3.33Å; N413-F416 WeakPolarHBondContact ND2-CE1 3.4Å; N413-R666 WeakPolarHBondContact ND2-CB 3.37Å; N413-R666 WeakPolarHBondContact ND2-CD 3.46Å; N413-R666 WeakPolarHBondContact ND2-CG 3.49Å
414	V	58.7	Low	56.9	Low	106 Å²	106	82 Å²	82	64%	0.642	45%	0.449	S	S	*	.	S	Bend		0	0	0	-176.2	0	0	0	0	109.2
415	G	62.8	Low	58.8	Low	20 Å²	20	79 Å²	79	21%	0.206	44%	0.439	C	S	.	.				0	0	0	0	0	0	0	0	110.6	N413 L667	N413-G415 PolarHBondContact O-N 3.2Å; G415-L667 PolarHBondContact O-N 3.3Å
416	F	71.7	Confident	60.2	Low	87 Å²	87	75.8 Å²	75.8	38%	0.382	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)		0	0	0	-62.6	-90.3	0	0	0	109.3	D388 N413 W664 I665 R666	D388-F416 WeakPolarHBondContact OD2-CE2 3.35Å; N413-F416 HydrophobicContact CB-CE1 4.45Å; N413-F416 HydrophobicContact CB-CE2 4.32Å; N413-F416 HydrophobicContact CB-CZ 3.96Å; N413-F416 VanDerWaalsContact ND2-CE1 3.33Å; N413-F416 WeakPolarHBondContact ND2-CE1 3.4Å; F416-W664 HydrophobicContact CB-CD2 4.43Å; F416-W664 HydrophobicContact CB-CE3 3.54Å; F416-W664 HydrophobicContact CB-CZ3 4.08Å; F416-I665 WeakPolarHBondContact CA-O 3.4Å; F416-R666 HydrophobicContact CD1-CB 4.5Å; F416-R666 HydrophobicContact CD1-CG 3.73Å; F416-R666 HydrophobicContact CE1-CB 4.41Å; F416-R666 HydrophobicContact CE1-CG 3.41Å; F416-R666 VanDerWaalsContact CE1-CG 3.41Å
417	S	73.5	Confident	61.9	Low	54 Å²	54	68.7 Å²	68.7	38%	0.378	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)		0	145.2	0	62.8	0	0	0	0	110	W664 I665	S417-W664 CarbonylContact O-C 3.59Å; S417-W664 WeakPolarHBondContact O-CA 3.32Å; S417-I665 PolarHBondContact N-O 3.38Å; S417-I665 PolarHBondContact O-N 2.92Å; S417-I665 WeakPolarHBondContact OG-CB 3.02Å
418	L	77.1	Confident	63.2	Low	59 Å²	59	66.3 Å²	66.3	31%	0.309	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	0	-178.3	-177.4	66.3	0	0	0	109.8	R420 L631 W664	L418-R420 HydrophobicContact CD2-CG 4.29Å; L418-R420 HydrophobicContact CG-CG 4.27Å; L418-L631 HydrophobicContact CD1-CD1 4.45Å; L418-W664 HydrophobicContact CB-CE3 4.2Å; L418-W664 HydrophobicContact CB-CH2 4.31Å; L418-W664 HydrophobicContact CB-CZ3 4Å; L418-W664 HydrophobicContact CD1-CD2 4.01Å; L418-W664 HydrophobicContact CD1-CE3 4.38Å; L418-W664 HydrophobicContact CD1-CG 4.38Å; L418-W664 HydrophobicContact CD1-CZ2 4.21Å
419	Q	81.4	Confident	64.4	Low	19 Å²	19	64.5 Å²	64.5	9%	0.089	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)		0	0	0	-175.5	178.9	33.6	0	0	109.1	Y572 S662 R663 I665	Q419-Y572 HydrophobicContact CG-CD2 4.45Å; Q419-S662 VanDerWaalsContact O-CA 3.27Å; Q419-S662 WeakPolarHBondContact O-CA 3.48Å; Q419-R663 HydrophobicContact CB-CG 3.91Å; Q419-R663 PolarHBondContact N-O 3.15Å; Q419-R663 PolarHBondContact O-N 3.48Å; Q419-I665 HydrophobicContact CB-CD1 3.47Å; Q419-I665 VanDerWaalsContact CB-CD1 3.47Å; Q419-I665 HydrophobicContact CB-CG1 4.03Å; Q419-I665 HydrophobicContact CG-CD1 4.09Å
420	R	80.8	Confident	65.2	Low	163 Å²	163	59.5 Å²	59.5	62%	0.615	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)		0	0	0	-67.1	178.8	-157.3	159.3	0.3	109.8	L418 Y572 I660	L418-R420 HydrophobicContact CD2-CG 4.29Å; L418-R420 HydrophobicContact CG-CG 4.27Å; R420-Y572 WeakPolarHBondContact O-CE2 2.91Å; R420-I660 HydrophobicContact CG-CG2 4.41Å
421	L	83.8	Confident	65.9	Low	7 Å²	7	51.5 Å²	51.5	4%	0.037	28%	0.279	C	S	.	.				0	172.2	0	-64.5	179.7	0	0	0	109.6	D423 Y572 L575 K579 L623 F628 T661	L421-D423 PolarHBondContact O-N 3.25Å; L421-Y572 HydrophobicContact CD2-CD2 3.95Å; L421-Y572 HydrophobicContact CD2-CE2 3.94Å; L421-L575 HydrophobicContact CD2-CB 4.02Å; L421-K579 HydrophobicContact CB-CD 4.03Å; L421-K579 HydrophobicContact CD1-CB 4.35Å; L421-K579 HydrophobicContact CD1-CD 4.16Å; L421-L623 HydrophobicContact CD1-CD2 3.78Å; L421-F628 HydrophobicContact CD1-CD1 3.67Å; L421-F628 HydrophobicContact CD1-CD2 4.31Å; L421-F628 HydrophobicContact CD1-CE1 3.57Å; L421-F628 HydrophobicContact CD1-CE2 4.23Å; L421-F628 HydrophobicContact CD1-CG 4.05Å; L421-F628 HydrophobicContact CD1-CZ 3.86Å; L421-F628 HydrophobicContact CD2-CE1 3.61Å; L421-F628 HydrophobicContact CD2-CE2 4.43Å; L421-F628 HydrophobicContact CD2-CZ 3.52Å; L421-F628 HydrophobicContact CG-CD1 3.81Å; L421-F628 HydrophobicContact CG-CE1 3.26Å; L421-F628 HydrophobicContact CG-CZ 3.71Å; L421-T661 WeakPolarHBondContact CB-OG1 3.4Å; L421-T661 PolarHBondContact N-O 2.91Å
422	I	83.3	Confident	66	Low	44 Å²	44	52.7 Å²	52.7	23%	0.226	28%	0.281	C	S	.	.			trans	-70.5	131.3	-173.8	-66.5	171.4	0	0	0	109	L519 L523 Y572 C576 K579	I422-L519 HydrophobicContact CG2-CD2 3.73Å; I422-L523 HydrophobicContact CD1-CD2 4.18Å; I422-Y572 WeakPolarHBondContact CG1-OH 3.42Å; I422-C576 HydrophobicContact CD1-CB 3.87Å; I422-C576 HydrophobicContact CG1-CB 4.29Å; I422-C576 VanDerWaalsContact CG1-SG 3.55Å; I422-K579 VanDerWaalsContact C-NZ 3.34Å; I422-K579 WeakPolarHBondContact O-CE 3.17Å; I422-K579 PolarHBondContact O-NZ 3.08Å
423	D	75.7	Confident	65.8	Low	66 Å²	66	52.3 Å²	52.3	35%	0.353	28%	0.281	S	S	.	.			trans	-117.9	133.1	177.4	-87.5	-13.5	0	0	0	110	L421 K579	L421-D423 PolarHBondContact O-N 3.25Å; D423-K579 VanDerWaalsContact CG-NZ 3.32Å; D423-K579 WeakPolarHBondContact OD1-CE 3.2Å; D423-K579 IonicContact OD1-NZ 3.42Å; D423-K579 PolarHBondContact OD1-NZ 2.5Å
424	L	72.6	Confident	65.5	Low	28 Å²	28	56 Å²	56	15%	0.147	30%	0.301	C	S	.	.			trans	-103.2	144.1	178.1	-81.3	125.7	0	0	0	109.4	C426 E427 I516 L519 L580	L424-C426 PolarHBondContact O-N 3.45Å; L424-E427 HydrophobicContact CB-CB 4.48Å; L424-E427 WeakPolarHBondContact O-CB 3.35Å; L424-E427 PolarHBondContact O-N 3.39Å; L424-I516 HydrophobicContact CD1-CG1 3.89Å; L424-L519 HydrophobicContact CD1-CD2 3.85Å; L424-L519 HydrophobicContact CG-CD2 4.4Å; L424-L580 HydrophobicContact CD1-CD2 3.21Å
425	P	63.9	Low	64.8	Low	107 Å²	107	54.9 Å²	54.9	70%	0.695	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	0	178.7	-10.2	16.9	0	0	0	111.6	E427	P425-E427 PolarHBondContact O-N 2.8Å
426	C	59.1	Low	63.4	Low	52 Å²	52	61.3 Å²	61.3	35%	0.351	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn		0	0	0	-63.2	0	0	0	0	110.4	L424 N428 V429 L430 Q508	L424-C426 PolarHBondContact O-N 3.45Å; C426-N428 PolarHBondContact O-N 3.26Å; C426-V429 PolarHBondContact O-N 3.38Å; C426-L430 WeakPolarHBondContact O-CB 3.42Å; C426-L430 WeakPolarHBondContact O-CD1 3.46Å; C426-L430 WeakPolarHBondContact O-CG 3.4Å; C426-L430 PolarHBondContact O-N 3.23Å; C426-L430 VanDerWaalsContact O-N 3.1Å; C426-Q508 HydrophobicContact CB-CG 4.16Å; C426-Q508 PolarHBondContact SG-NE2 3.33Å
427	E	62.8	Low	61.5	Low	3 Å²	3	65.5 Å²	65.5	1%	0.014	34%	0.343	C	S	.	.	H	α-helix		0	-31	0	-175.2	-179.3	178.5	0	0	111.2	L424 P425 L431 S583	L424-E427 HydrophobicContact CB-CB 4.48Å; L424-E427 WeakPolarHBondContact O-CB 3.35Å; L424-E427 PolarHBondContact O-N 3.39Å; P425-E427 PolarHBondContact O-N 2.8Å; E427-L431 HydrophobicContact CG-CD1 4Å; E427-L431 WeakPolarHBondContact O-CB 3.41Å; E427-L431 WeakPolarHBondContact O-CD1 3.43Å; E427-L431 WeakPolarHBondContact O-CG 3.41Å; E427-L431 PolarHBondContact O-N 3.38Å; E427-S583 WeakPolarHBondContact OE1-CB 2.24Å; E427-S583 PolarHBondContact OE1-OG 3.3Å
428	N	57.1	Low	59.1	Low	17 Å²	17	71.4 Å²	71.4	9%	0.091	36%	0.364	C	S	.	.	H	α-helix	trans	-84.8	-40.7	-176.3	-69	-28.4	0	0	0	111	C426 L430 L431 Q432 L659	C426-N428 PolarHBondContact O-N 3.26Å; N428-L430 PolarHBondContact O-N 2.9Å; N428-L431 PolarHBondContact O-N 3.24Å; N428-Q432 WeakPolarHBondContact O-CB 3.35Å; N428-Q432 PolarHBondContact O-N 2.81Å; N428-L659 PolarHBondContact ND2-N 3.22Å; N428-L659 PolarHBondContact ND2-O 2.91Å
429	V	58.8	Low	56.6	Low	63 Å²	63	78.4 Å²	78.4	38%	0.382	39%	0.392	S	S	.	.	H	α-helix	trans	-61	-33.6	-179.5	176.3	0	0	0	0	109.8	C426 L431 Q433	C426-V429 PolarHBondContact O-N 3.38Å; V429-L431 VanDerWaalsContact C-N 3.31Å; V429-Q433 PolarHBondContact O-N 3.47Å
430	L	55.8	Low	54	Low	8 Å²	8	82.5 Å²	82.5	4%	0.042	42%	0.42	C	S	.	.	H	α-helix	trans	-81	-24.3	-176.5	-70.6	171.3	0	0	0	110.7	C426 N428 H509 T512 I587	C426-L430 WeakPolarHBondContact O-CB 3.42Å; C426-L430 WeakPolarHBondContact O-CD1 3.46Å; C426-L430 WeakPolarHBondContact O-CG 3.4Å; C426-L430 PolarHBondContact O-N 3.23Å; C426-L430 VanDerWaalsContact O-N 3.1Å; N428-L430 PolarHBondContact O-N 2.9Å; L430-H509 WeakPolarHBondContact CD2-NE2 3.19Å; L430-T512 HydrophobicContact CD1-CG2 4.14Å; L430-I587 HydrophobicContact CD1-CD1 4.46Å
431	L	56	Low	51.1	Low	14 Å²	14	79.5 Å²	79.5	7%	0.073	43%	0.425	C	S	.	.	H	α-helix	trans	-84.6	0	178.3	-74.1	169.3	0	0	0	110.4	E427 N428 V429 Q586 L617	E427-L431 HydrophobicContact CG-CD1 4Å; E427-L431 WeakPolarHBondContact O-CB 3.41Å; E427-L431 WeakPolarHBondContact O-CD1 3.43Å; E427-L431 WeakPolarHBondContact O-CG 3.41Å; E427-L431 PolarHBondContact O-N 3.38Å; N428-L431 PolarHBondContact O-N 3.24Å; V429-L431 VanDerWaalsContact C-N 3.31Å; L431-Q586 HydrophobicContact CD2-CB 3.87Å; L431-Q586 HydrophobicContact CD2-CG 3.45Å; L431-Q586 VanDerWaalsContact CD2-CG 3.45Å; L431-L617 HydrophobicContact CB-CD2 3.6Å; L431-L617 HydrophobicContact CD1-CD2 4.4Å; L431-L617 HydrophobicContact CD2-CD2 4.35Å; L431-L617 HydrophobicContact CG-CD2 4.35Å
432	Q	50	Low	48.2	Very low	62 Å²	62	84.2 Å²	84.2	29%	0.29	46%	0.458	S	S	.	.	H	α-helix		0	-28.7	0	-90.5	175.4	25.1	0	0	110.2	N428 N434 S435 S657	N428-Q432 WeakPolarHBondContact O-CB 3.35Å; N428-Q432 PolarHBondContact O-N 2.81Å; Q432-N434 PolarHBondContact O-N 3.31Å; Q432-S435 PolarHBondContact O-N 3.21Å; Q432-S657 PolarHBondContact NE2-O 3.31Å; Q432-S657 VanDerWaalsContact NE2-O 3.11Å; Q432-S657 PolarHBondContact NE2-OG 3.48Å; Q432-S657 PolarHBondContact OE1-OG 3.44Å
433	Q	47.7	Very low	46	Very low	99 Å²	99	87.9 Å²	87.9	46%	0.463	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	6.2	-178.5	-91.6	-175.9	-3.7	0	0	111.3	V429	V429-Q433 PolarHBondContact O-N 3.47Å
434	N	42.6	Very low	43.6	Very low	99 Å²	99	90 Å²	90	53%	0.529	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	0	167.6	-91.7	-12.5	0	0	0	111.5	Q432	Q432-N434 PolarHBondContact O-N 3.31Å
435	S	43.4	Very low	41.5	Very low	82 Å²	82	94.2 Å²	94.2	57%	0.573	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn		0	1.4	0	-43.4	0	0	0	0	109.5	Q432 Q437	Q432-S435 PolarHBondContact O-N 3.21Å; S435-Q437 PolarHBondContact O-N 2.93Å
436	Q	35.4	Very low	39.9	Very low	155 Å²	155	98.7 Å²	98.7	72%	0.724	55%	0.545	S	S	*	.	S	Bend	trans	-105.6	35.3	-179.9	-99.2	165.4	-6	0	0	109.9
437	Q	30	Very low	38.5	Very low	174 Å²	174	101.7 Å²	101.7	81%	0.813	57%	0.566	S	S	*	*	S	Bend	trans	-124.7	47.7	157.6	-82.6	-177	10	0	0	109.9	S435	S435-Q437 PolarHBondContact O-N 2.93Å
438	Q	24.3	Very low	36.9	Very low	179 Å²	179	110.8 Å²	110.8	84%	0.836	61%	0.609	S	S	*	*			trans	-134.2	69.7	159.4	-80.1	-172.6	8.5	0	0	109.4
439	K	23.8	Very low	35.5	Very low	206 Å²	206	114.2 Å²	114.2	90%	0.896	64%	0.64	S	S	*	*			trans	-66.1	0	152.3	-113.5	178.1	-176.7	178.4	0	110.8
440	P	26.8	Very low	33.9	Very low	104 Å²	104	117 Å²	117	68%	0.675	65%	0.652	S	S	*	*				0	113.8	0	32.8	-4.5	0	0	0	111.7
441	S	20.3	Very low	32.5	Very low	101 Å²	101	122.6 Å²	122.6	71%	0.706	68%	0.682	S	S	*	*				135.2	0	124.5	54.4	0	0	0	0	109.5
442	S	22.9	Very low	31.6	Very low	106 Å²	106	129.4 Å²	129.4	74%	0.741	72%	0.716	S	S	*	*				0	144.2	0	22.6	0	0	0	0	110.9
443	P	36.8	Very low	30.6	Very low	121 Å²	121	134.6 Å²	134.6	79%	0.786	74%	0.744	S	S	*	*			trans	-95.2	116.2	-144.5	33.3	-4.2	0	0	0	111.8
444	S	25.9	Very low	29.7	Very low	111 Å²	111	141.4 Å²	141.4	78%	0.776	77%	0.766	S	S	*	*			trans	-173.3	109.5	160.9	87.8	0	0	0	0	109.3
445	S	29.2	Very low	29	Very low	115 Å²	115	145.5 Å²	145.5	80%	0.804	78%	0.782	S	S	*	*	S	Bend		78.2	84.1	113.4	-102.3	0	0	0	0	110.7
446	K	29.5	Very low	28.1	Very low	201 Å²	201	153 Å²	153	87%	0.874	80%	0.798	S	S	*	*			trans	113	0	134.8	-89.7	-178.7	-176.9	174.8	0	109.7
447	S	28.8	Very low	27.6	Very low	115 Å²	115	154.4 Å²	154.4	80%	0.804	80%	0.804	S	S	*	*				0	0	0	32.1	0	0	0	0	109.5	A449	S447-A449 PolarHBondContact O-N 3.01Å
448	Q	29.6	Very low	27.4	Very low	195 Å²	195	151.3 Å²	151.3	91%	0.911	80%	0.802	S	S	*	*				0	0	0	-89.4	-176.3	-12.5	0	0	111.6
449	A	27.9	Very low	27.4	Very low	89 Å²	89	150.7 Å²	150.7	74%	0.736	80%	0.799	S	S	*	*				0	0	0	0	0	0	0	0	109.7	S447	S447-A449 PolarHBondContact O-N 3.01Å
450	L	25.3	Very low	27.5	Very low	122 Å²	122	145.2 Å²	145.2	64%	0.639	79%	0.792	S	S	*	*				0	96.1	0	-75.1	172.9	0	0	0	111.3	I452	L450-I452 WeakPolarHBondContact O-CG1 3.46Å; L450-I452 PolarHBondContact O-N 2.83Å
451	N	25.4	Very low	27.4	Very low	124 Å²	124	145.4 Å²	145.4	66%	0.663	80%	0.796	S	S	*	*				56.2	64.7	111.2	-87.9	-16.3	0	0	0	111.1
452	I	37.4	Very low	27.8	Very low	157 Å²	157	146 Å²	146	81%	0.805	80%	0.795	S	S	*	*			trans	-145.4	0	143.4	-67.1	174.4	0	0	0	108.4	L450	L450-I452 WeakPolarHBondContact O-CG1 3.46Å; L450-I452 PolarHBondContact O-N 2.83Å
453	I	29.7	Very low	28	Very low	171 Å²	171	147.7 Å²	147.7	88%	0.877	80%	0.796	S	S	*	*	S	Bend		0	49.4	0	-65.5	172	0	0	0	108.2
454	R	28.9	Very low	27.5	Very low	242 Å²	242	151.4 Å²	151.4	91%	0.913	80%	0.8	S	S	*	*	S	Bend	trans	-129.2	51.1	146.2	-151.7	-178.9	-94.1	164.9	-0.5	109.5
455	E	27.2	Very low	27.5	Very low	186 Å²	186	151.1 Å²	151.1	87%	0.869	80%	0.797	S	S	*	*	S	Bend	trans	-165.3	61	139.3	-92.3	-173.2	176.5	0	0	109.3
456	R	25.3	Very low	27.5	Very low	238 Å²	238	154.6 Å²	154.6	90%	0.898	80%	0.798	S	S	*	*	S	Bend	trans	-137.8	77.1	141.4	-117	-178.7	160.2	114.1	-0.5	109.5
457	E	25	Very low	27.2	Very low	185 Å²	185	153.7 Å²	153.7	86%	0.864	79%	0.794	S	S	*	*				-163.5	0	127.9	-84.1	-175.5	172	0	0	109.7
458	S	26.4	Very low	27	Very low	109 Å²	109	154.6 Å²	154.6	76%	0.762	79%	0.79	S	S	*	*	S	Bend		0	80.3	0	56.7	0	0	0	0	110.8
459	Q	24.3	Very low	26.7	Very low	167 Å²	167	148.4 Å²	148.4	78%	0.78	77%	0.766	S	S	*	*			trans	158.3	91.2	132.2	-115.2	101.3	1.9	0	0	109.2
460	A	25	Very low	26.5	Very low	91 Å²	91	150.2 Å²	150.2	75%	0.752	76%	0.759	S	S	*	*				177.8	96.6	125.1	0	0	0	0	0	109.2
461	S	23.8	Very low	26.5	Very low	108 Å²	108	147.8 Å²	147.8	76%	0.755	75%	0.746	S	S	*	*				49.8	0	107.7	126.9	0	0	0	0	110.9
462	V	28.9	Very low	26.4	Very low	114 Å²	114	146.8 Å²	146.8	69%	0.691	74%	0.737	S	S	*	*				0	103.5	0	173.8	0	0	0	0	108.2
463	D	27.7	Very low	25.8	Very low	141 Å²	141	143.2 Å²	143.2	75%	0.754	72%	0.716	S	S	*	*				169.2	97.6	111.9	-89.3	-14.2	0	0	0	109.2
464	K	25.9	Very low	25.6	Very low	199 Å²	199	140.4 Å²	140.4	87%	0.865	70%	0.701	S	S	*	*				36.5	108.1	109.3	-87.2	-175.1	-176.1	175.8	0	111.3
465	S	25.5	Very low	25.3	Very low	104 Å²	104	134.2 Å²	134.2	73%	0.727	70%	0.695	S	S	*	*				151.9	0	120	62.4	0	0	0	0	109.4
466	K	29.2	Very low	25.1	Very low	189 Å²	189	130.7 Å²	130.7	82%	0.822	69%	0.691	S	S	*	*				0	0	0	-94.7	-178.1	-177.6	175.9	0	109.7
467	K	24.3	Very low	24.9	Very low	182 Å²	182	124.8 Å²	124.8	79%	0.791	69%	0.686	S	S	*	*				0	0	0	-93.4	-175.4	-178.7	177.9	0	110.5
468	N	23.7	Very low	24.9	Very low	133 Å²	133	121.1 Å²	121.1	71%	0.711	68%	0.681	S	S	*	*				0	0	0	-97.8	7.8	0	0	0	110.9
469	T	23.3	Very low	24.7	Very low	66 Å²	66	121.9 Å²	121.9	41%	0.405	68%	0.681	S	S	.	*				0	0	0	46	0	0	0	0	109.4	S488 S489	T469-S488 CarbonylContact C-O 1.27Å; T469-S488 CarbonylContact O-C 3.44Å; T469-S489 CarbonylContact C-O 3.41Å; T469-S489 WeakPolarHBondContact CA-OG 3.45Å; T469-S489 PolarHBondContact N-OG 2.82Å; T469-S489 CarbonylContact O-C 2.89Å; T469-S489 VanDerWaalsContact O-C 3.24Å; T469-S489 WeakPolarHBondContact O-CA 3.5Å; T469-S489 WeakPolarHBondContact O-CB 3.47Å; T469-S489 PolarHBondContact O-N 3.39Å; T469-S489 CovalentContact O-OG 1.08Å; T469-S489 PolarHBondContact O-OG 3.18Å
470	H	23.8	Very low	24.6	Very low	126 Å²	126	121.8 Å²	121.8	58%	0.583	69%	0.685	S	S	*	*				0	0	0	-109.7	-77.7	0	0	0	111.2	S487 S488 S489	H470-S487 VanDerWaalsContact C-C 3.48Å; H470-S487 CarbonylContact C-O 3.23Å; H470-S487 VanDerWaalsContact C-O 3.23Å; H470-S487 CarbonylContact O-C 3.49Å; H470-S488 CarbonylContact C-O 3.05Å; H470-S488 WeakPolarHBondContact CA-O 3.47Å; H470-S488 WeakPolarHBondContact CB-O 3.26Å; H470-S488 PolarHBondContact N-O 3.42Å; H470-S488 CarbonylContact O-C 3.56Å; H470-S488 WeakPolarHBondContact O-CA 2.95Å; H470-S488 WeakPolarHBondContact O-CB 3.45Å; H470-S488 PolarHBondContact O-N 3.01Å; H470-S488 CovalentContact O-O 1.02Å; H470-S488 PolarHBondContact O-OG 3.24Å; H470-S489 VanDerWaalsContact N-N 3.12Å; H470-S489 PolarHBondContact N-O 3.28Å; H470-S489 PolarHBondContact N-OG 3.25Å; H470-S489 PolarHBondContact O-N 3.16Å
471	I	25.6	Very low	24.4	Very low	72 Å²	72	122.4 Å²	122.4	37%	0.369	68%	0.684	S	S	.	*				0	0	0	-65.9	175.4	0	0	0	108.2	S487 S488	I471-S487 WeakPolarHBondContact CA-O 3.35Å; I471-S487 WeakPolarHBondContact CB-O 3.06Å; I471-S487 WeakPolarHBondContact CD1-O 3.48Å; I471-S487 WeakPolarHBondContact CD1-OG 3.38Å; I471-S487 VanDerWaalsContact CG1-C 3.42Å; I471-S487 WeakPolarHBondContact CG1-O 3.45Å; I471-S487 WeakPolarHBondContact CG2-O 3.43Å; I471-S487 PolarHBondContact N-O 3.12Å; I471-S488 PolarHBondContact N-O 2.27Å
472	E	24	Very low	24.3	Very low	102 Å²	102	122.3 Å²	122.3	48%	0.477	68%	0.683	S	S	.	*				0	0	0	-100.9	-175.1	178.3	0	0	110.5	I733 D734 N735	E472-I733 HydrophobicContact CB-CG2 3.3Å; E472-I733 HydrophobicContact CG-CG2 3.2Å; E472-D734 WeakPolarHBondContact CA-OD2 3.36Å; E472-D734 HydrophobicContact CB-CB 4.19Å; E472-D734 WeakPolarHBondContact CB-OD2 3.41Å; E472-D734 HydrophobicContact CG-CB 3.43Å; E472-D734 VanDerWaalsContact CG-CB 3.43Å; E472-D734 CovalentContact CG-OD2 1.65Å; E472-D734 WeakPolarHBondContact CG-OD2 3.16Å; E472-N735 PolarHBondContact OE1-OD1 2.97Å
473	F	24.2	Very low	23.9	Very low	83 Å²	83	122.1 Å²	122.1	36%	0.364	69%	0.687	S	S	.	*				0	0	0	-119.9	-93.3	0	0	0	110	I733 D734	F473-I733 CarbonylContact C-O 2.76Å; F473-I733 VanDerWaalsContact CA-CA 3.47Å; F473-I733 CovalentContact CA-O 1.8Å; F473-I733 WeakPolarHBondContact CA-O 2.95Å; F473-I733 HydrophobicContact CB-CB 3.64Å; F473-I733 HydrophobicContact CB-CG2 3.12Å; F473-I733 WeakPolarHBondContact CB-O 3.11Å; F473-I733 WeakPolarHBondContact CD1-O 3.31Å; F473-I733 CovalentContact CD2-C 1.56Å; F473-I733 HydrophobicContact CD2-CB 2.89Å; F473-I733 HydrophobicContact CD2-CG1 4.13Å; F473-I733 HydrophobicContact CD2-CG2 2.48Å; F473-I733 WeakPolarHBondContact CD2-O 3.38Å; F473-I733 VanDerWaalsContact CE1-O 3.23Å; F473-I733 WeakPolarHBondContact CE1-O 3.49Å; F473-I733 HydrophobicContact CE2-CB 3.73Å; F473-I733 HydrophobicContact CE2-CG2 3.58Å; F473-I733 WeakPolarHBondContact CE2-O 3.02Å; F473-I733 HydrophobicContact CG-CB 3.53Å; F473-I733 HydrophobicContact CG-CG2 3.19Å; F473-I733 WeakPolarHBondContact CG-O 3.47Å; F473-I733 PolarHBondContact N-O 3.27Å; F473-D734 HydrophobicContact CB-CB 2.6Å; F473-D734 VanDerWaalsContact CB-CG 3.44Å; F473-D734 WeakPolarHBondContact CB-O 3.34Å; F473-D734 HydrophobicContact CD1-CB 2.88Å; F473-D734 CovalentContact CD1-O 1.64Å; F473-D734 WeakPolarHBondContact CD1-O 3.47Å; F473-D734 HydrophobicContact CD2-CB 1.72Å; F473-D734 CovalentContact CD2-N 1.26Å; F473-D734 WeakPolarHBondContact CD2-O 3.42Å; F473-D734 WeakPolarHBondContact CD2-OD1 3.5Å; F473-D734 WeakPolarHBondContact CD2-OD2 3.27Å; F473-D734 CovalentContact CE1-C 1.88Å; F473-D734 HydrophobicContact CE1-CB 3.45Å; F473-D734 VanDerWaalsContact CE1-CB 3.45Å; F473-D734 WeakPolarHBondContact CE1-O 3.43Å; F473-D734 CovalentContact CE2-CA 1.5Å; F473-D734 HydrophobicContact CE2-CB 2.54Å; F473-D734 CovalentContact CE2-N 1.2Å; F473-D734 WeakPolarHBondContact CE2-OD1 3.18Å; F473-D734 HydrophobicContact CG-CB 1.98Å; F473-D734 WeakPolarHBondContact CG-O 3.37Å; F473-D734 CovalentContact CZ-CA 1.8Å; F473-D734 HydrophobicContact CZ-CB 3.3Å; F473-D734 CovalentContact CZ-N 1.43Å; F473-D734 WeakPolarHBondContact CZ-O 3.13Å
474	I	25.4	Very low	23.7	Very low	111 Å²	111	123.2 Å²	123.2	57%	0.569	69%	0.691	S	S	*	*				0	0	0	-63.7	177.1	0	0	0	108.2	I733 D734	I474-I733 WeakPolarHBondContact CG1-O 3.39Å; I474-I733 PolarHBondContact N-O 3.5Å; I474-D734 WeakPolarHBondContact CD1-O 3.38Å; I474-D734 WeakPolarHBondContact CG1-O 3.39Å
475	S	22.1	Very low	24.1	Very low	112 Å²	112	118.7 Å²	118.7	78%	0.783	68%	0.682	S	S	*	*				0	0	0	-60.2	0	0	0	0	111.1
476	S	23.1	Very low	24.4	Very low	113 Å²	113	119.4 Å²	119.4	79%	0.79	68%	0.684	S	S	*	*				0	0	0	-36	0	0	0	0	109.4
477	S	22.4	Very low	24.1	Very low	114 Å²	114	113.5 Å²	113.5	80%	0.797	67%	0.667	S	S	*	*				0	0	0	69.7	0	0	0	0	109.9
478	S	23.4	Very low	24.1	Very low	108 Å²	108	107.7 Å²	107.7	76%	0.755	65%	0.649	S	S	*	*				0	0	0	59.4	0	0	0	0	111.3
479	T	22.5	Very low	24.1	Very low	125 Å²	125	104.3 Å²	104.3	77%	0.767	64%	0.636	S	S	*	*				0	114.6	0	50	0	0	0	0	109
480	L	22.8	Very low	24.2	Very low	165 Å²	165	106.4 Å²	106.4	86%	0.864	65%	0.653	S	S	*	*				86.8	0	119.8	-106.3	102.3	0	0	0	109.9
481	S	20.7	Very low	24.3	Very low	104 Å²	104	105.9 Å²	105.9	73%	0.727	66%	0.664	S	S	*	*				0	0	0	124	0	0	0	0	109.8
482	S	21.3	Very low	24.3	Very low	105 Å²	105	107.9 Å²	107.9	73%	0.734	68%	0.684	S	S	*	*				0	0	0	62.7	0	0	0	0	110.5
483	S	20.6	Very low	24.5	Very low	111 Å²	111	109.1 Å²	109.1	78%	0.776	70%	0.704	S	S	*	*				0	0	0	53.8	0	0	0	0	109.5
484	I	23.8	Very low	24.9	Very low	164 Å²	164	110.7 Å²	110.7	84%	0.841	73%	0.726	S	S	*	*				0	0	0	-60.8	171.7	0	0	0	109.5
485	P	34.2	Very low	25.2	Very low	104 Å²	104	111 Å²	111	68%	0.675	74%	0.737	S	S	*	*				0	0	0	33.6	-5	0	0	0	112.1
486	P	32	Very low	25.7	Very low	118 Å²	118	110.3 Å²	110.3	77%	0.766	73%	0.733	S	S	*	*				0	0	0	33.4	-5.2	0	0	0	112.1
487	S	21.9	Very low	26.3	Very low	66 Å²	66	109.7 Å²	109.7	46%	0.462	73%	0.728	S	S	.	*				0	0	0	56.6	0	0	0	0	109.8	H470 I471	H470-S487 VanDerWaalsContact C-C 3.48Å; H470-S487 CarbonylContact C-O 3.23Å; H470-S487 VanDerWaalsContact C-O 3.23Å; H470-S487 CarbonylContact O-C 3.49Å; I471-S487 WeakPolarHBondContact CA-O 3.35Å; I471-S487 WeakPolarHBondContact CB-O 3.06Å; I471-S487 WeakPolarHBondContact CD1-O 3.48Å; I471-S487 WeakPolarHBondContact CD1-OG 3.38Å; I471-S487 VanDerWaalsContact CG1-C 3.42Å; I471-S487 WeakPolarHBondContact CG1-O 3.45Å; I471-S487 WeakPolarHBondContact CG2-O 3.43Å; I471-S487 PolarHBondContact N-O 3.12Å
488	S	24.4	Very low	27	Very low	60 Å²	60	109.2 Å²	109.2	42%	0.42	73%	0.725	S	S	.	*				0	0	0	56.3	0	0	0	0	111.2	T469 H470 I471	T469-S488 CarbonylContact C-O 1.27Å; T469-S488 CarbonylContact O-C 3.44Å; H470-S488 CarbonylContact C-O 3.05Å; H470-S488 WeakPolarHBondContact CA-O 3.47Å; H470-S488 WeakPolarHBondContact CB-O 3.26Å; H470-S488 PolarHBondContact N-O 3.42Å; H470-S488 CarbonylContact O-C 3.56Å; H470-S488 WeakPolarHBondContact O-CA 2.95Å; H470-S488 WeakPolarHBondContact O-CB 3.45Å; H470-S488 PolarHBondContact O-N 3.01Å; H470-S488 CovalentContact O-O 1.02Å; H470-S488 PolarHBondContact O-OG 3.24Å; I471-S488 PolarHBondContact N-O 2.27Å
489	S	25	Very low	28	Very low	61 Å²	61	106.9 Å²	106.9	43%	0.427	71%	0.709	S	S	.	*				0	0	0	54.8	0	0	0	0	110.2	T469 H470	T469-S489 CarbonylContact C-O 3.41Å; T469-S489 WeakPolarHBondContact CA-OG 3.45Å; T469-S489 PolarHBondContact N-OG 2.82Å; T469-S489 CarbonylContact O-C 2.89Å; T469-S489 VanDerWaalsContact O-C 3.24Å; T469-S489 WeakPolarHBondContact O-CA 3.5Å; T469-S489 WeakPolarHBondContact O-CB 3.47Å; T469-S489 PolarHBondContact O-N 3.39Å; T469-S489 CovalentContact O-OG 1.08Å; T469-S489 PolarHBondContact O-OG 3.18Å; H470-S489 VanDerWaalsContact N-N 3.12Å; H470-S489 PolarHBondContact N-O 3.28Å; H470-S489 PolarHBondContact N-OG 3.25Å; H470-S489 PolarHBondContact O-N 3.16Å
490	S	24.5	Very low	29.1	Very low	110 Å²	110	104.4 Å²	104.4	77%	0.769	70%	0.696	S	S	*	*				0	0	0	53.1	0	0	0	0	109.9
491	S	25.3	Very low	30.4	Very low	115 Å²	115	100.7 Å²	100.7	80%	0.804	68%	0.68	S	S	*	*				0	0	0	47.1	0	0	0	0	109.7
492	S	27.6	Very low	32.2	Very low	115 Å²	115	100 Å²	100	80%	0.804	67%	0.668	S	S	*	*				0	0	0	47	0	0	0	0	109.7
493	S	27	Very low	34.3	Very low	128 Å²	128	96.8 Å²	96.8	90%	0.895	64%	0.643	S	S	*	*				0	0	0	36.5	0	0	0	0	111.9
494	S	31.8	Very low	36.5	Very low	116 Å²	116	101 Å²	101	81%	0.811	64%	0.642	S	S	*	*				0	0	0	45.2	0	0	0	0	109.6
495	S	33.8	Very low	38.6	Very low	117 Å²	117	95 Å²	95	82%	0.818	61%	0.611	S	S	*	*				0	63.5	0	45.6	0	0	0	0	109.3
496	S	31.3	Very low	40.4	Very low	98 Å²	98	93 Å²	93	69%	0.685	59%	0.594	S	S	*	*			trans	-114.8	0	167.4	-80.3	0	0	0	0	109.7	S499	S496-S499 PolarHBondContact O-OG 3.39Å
497	S	35.6	Very low	42.4	Very low	99 Å²	99	90 Å²	90	69%	0.692	57%	0.571	S	S	*	*	H	α-helix		0	8.5	0	-47.6	0	0	0	0	110.1
498	S	36.9	Very low	44.9	Very low	105 Å²	105	89 Å²	89	73%	0.734	56%	0.559	S	S	*	*	H	α-helix	trans	-98.6	-7.8	170.1	-68.7	0	0	0	0	110.6	N502	S498-N502 PolarHBondContact O-ND2 3.08Å
499	S	44.5	Very low	47.2	Very low	59 Å²	59	87.2 Å²	87.2	41%	0.413	54%	0.544	S	S	.	.	H	α-helix	trans	-94.8	0	177.3	69.6	0	0	0	0	110.7	S496 N502 L503	S496-S499 PolarHBondContact O-OG 3.39Å; S499-N502 PolarHBondContact O-N 3.45Å; S499-L503 PolarHBondContact O-N 2.95Å
500	S	45.5	Very low	49.8	Very low	72 Å²	72	88 Å²	88	50%	0.503	54%	0.538	S	S	.	.	H	α-helix		0	0	0	93.3	0	0	0	0	110.8	N502 L503 R504	S500-N502 VanDerWaalsContact C-N 3.29Å; S500-L503 PolarHBondContact O-N 3.39Å; S500-R504 WeakPolarHBondContact O-CB 3.46Å; S500-R504 PolarHBondContact O-N 2.99Å
501	V	51.1	Low	52.5	Low	87 Å²	87	87.8 Å²	87.8	53%	0.527	53%	0.528	S	S	.	.	H	α-helix		0	0	0	179.7	0	0	0	0	109.5	L505	V501-L505 HydrophobicContact CG1-CD1 3.89Å; V501-L505 WeakPolarHBondContact O-CB 3.49Å; V501-L505 VanDerWaalsContact O-CD1 3.24Å; V501-L505 WeakPolarHBondContact O-CD1 3.5Å; V501-L505 PolarHBondContact O-N 3.2Å; V501-L505 VanDerWaalsContact O-N 3.09Å
502	N	58.1	Low	55.1	Low	89 Å²	89	82.6 Å²	82.6	48%	0.476	49%	0.492	S	S	.	.	H	α-helix		0	0	0	-87.2	-28.1	0	0	0	111.5	S498 S499 S500 I506	S498-N502 PolarHBondContact O-ND2 3.08Å; S499-N502 PolarHBondContact O-N 3.45Å; S500-N502 VanDerWaalsContact C-N 3.29Å; N502-I506 WeakPolarHBondContact O-CB 3.28Å; N502-I506 VanDerWaalsContact O-CD1 3.31Å; N502-I506 WeakPolarHBondContact O-CD1 3.41Å; N502-I506 WeakPolarHBondContact O-CG1 3.39Å; N502-I506 PolarHBondContact O-N 3.34Å
503	L	64.6	Low	57.7	Low	38 Å²	38	77.3 Å²	77.3	20%	0.199	45%	0.454	C	S	.	.	H	α-helix		0	0	0	-106.5	157.8	0	0	0	110.1	S499 S500 L505 I506 I507 D726	S499-L503 PolarHBondContact O-N 2.95Å; S500-L503 PolarHBondContact O-N 3.39Å; L503-L505 VanDerWaalsContact C-N 3.31Å; L503-L505 PolarHBondContact O-N 3.19Å; L503-I506 PolarHBondContact O-N 3.28Å; L503-I507 HydrophobicContact CD2-CD1 4.45Å; L503-I507 VanDerWaalsContact O-CB 3.31Å; L503-I507 WeakPolarHBondContact O-CB 3.45Å; L503-I507 WeakPolarHBondContact O-CD1 3.37Å; L503-I507 WeakPolarHBondContact O-CG1 3.35Å; L503-I507 PolarHBondContact O-N 2.85Å; L503-D726 WeakPolarHBondContact CD1-OD2 3.47Å
504	R	68.5	Low	60.3	Low	200 Å²	200	73.6 Å²	73.6	76%	0.755	43%	0.428	S	S	*	.	H	α-helix		0	-40.9	0	-170.3	176.7	-175.1	-167.5	-0.8	110.9	S500 I506 I507 Q508	S500-R504 WeakPolarHBondContact O-CB 3.46Å; S500-R504 PolarHBondContact O-N 2.99Å; R504-I506 VanDerWaalsContact C-N 3.35Å; R504-I507 PolarHBondContact O-N 2.96Å; R504-Q508 VanDerWaalsContact O-CB 3.26Å; R504-Q508 WeakPolarHBondContact O-CB 3.44Å; R504-Q508 PolarHBondContact O-N 2.8Å
505	L	67.6	Low	62.8	Low	38 Å²	38	69.7 Å²	69.7	20%	0.199	40%	0.401	C	S	.	.	H	α-helix	trans	-68.8	-39.4	179.9	-112.2	113.2	0	0	0	111	V501 L503 I507 Q508 H509	V501-L505 HydrophobicContact CG1-CD1 3.89Å; V501-L505 WeakPolarHBondContact O-CB 3.49Å; V501-L505 VanDerWaalsContact O-CD1 3.24Å; V501-L505 WeakPolarHBondContact O-CD1 3.5Å; V501-L505 PolarHBondContact O-N 3.2Å; V501-L505 VanDerWaalsContact O-N 3.09Å; L503-L505 VanDerWaalsContact C-N 3.31Å; L503-L505 PolarHBondContact O-N 3.19Å; L505-I507 PolarHBondContact O-N 3.44Å; L505-Q508 PolarHBondContact O-N 2.8Å; L505-H509 WeakPolarHBondContact O-CB 3.34Å; L505-H509 PolarHBondContact O-CD2 3.35Å; L505-H509 PolarHBondContact O-N 3.46Å
506	I	70.4	Confident	65.3	Low	61 Å²	61	64.1 Å²	64.1	31%	0.313	36%	0.362	S	S	.	.	H	α-helix	trans	-66.4	-39.7	-179.8	-69	171.7	0	0	0	109.2	N502 L503 R504 Q508 H509 Y510 W718 I719	N502-I506 WeakPolarHBondContact O-CB 3.28Å; N502-I506 VanDerWaalsContact O-CD1 3.31Å; N502-I506 WeakPolarHBondContact O-CD1 3.41Å; N502-I506 WeakPolarHBondContact O-CG1 3.39Å; N502-I506 PolarHBondContact O-N 3.34Å; L503-I506 PolarHBondContact O-N 3.28Å; R504-I506 VanDerWaalsContact C-N 3.35Å; I506-Q508 PolarHBondContact O-N 2.98Å; I506-H509 PolarHBondContact O-N 3.37Å; I506-Y510 WeakPolarHBondContact O-CB 3.44Å; I506-Y510 PolarHBondContact O-N 3.32Å; I506-W718 HydrophobicContact CG2-CH2 3.61Å; I506-W718 HydrophobicContact CG2-CZ2 4.33Å; I506-W718 HydrophobicContact CG2-CZ3 4.34Å; I506-I719 HydrophobicContact CG2-CD1 4.06Å; I506-I719 HydrophobicContact CG2-CG1 4.19Å
507	I	75.4	Confident	67.9	Low	56 Å²	56	60 Å²	60	29%	0.287	33%	0.332	S	S	.	.	H	α-helix	trans	-67.8	-39	-179.7	-70	172.8	0	0	0	108.9	L503 R504 L505 H509 Y510 L511 M723	L503-I507 HydrophobicContact CD2-CD1 4.45Å; L503-I507 VanDerWaalsContact O-CB 3.31Å; L503-I507 WeakPolarHBondContact O-CB 3.45Å; L503-I507 WeakPolarHBondContact O-CD1 3.37Å; L503-I507 WeakPolarHBondContact O-CG1 3.35Å; L503-I507 PolarHBondContact O-N 2.85Å; R504-I507 PolarHBondContact O-N 2.96Å; L505-I507 PolarHBondContact O-N 3.44Å; I507-H509 VanDerWaalsContact C-N 3.33Å; I507-Y510 PolarHBondContact O-N 3.07Å; I507-L511 HydrophobicContact CG2-CD1 3.72Å; I507-L511 HydrophobicContact CG2-CG 4.14Å; I507-L511 WeakPolarHBondContact O-CB 3.38Å; I507-L511 VanDerWaalsContact O-CG 3.23Å; I507-L511 WeakPolarHBondContact O-CG 3.4Å; I507-L511 PolarHBondContact O-N 2.91Å; I507-M723 HydrophobicContact CD1-CE 4.24Å
508	Q	73.3	Confident	70.3	Confident	44 Å²	44	58.9 Å²	58.9	21%	0.206	32%	0.321	C	S	.	.	H	α-helix	trans	-64.2	-43.1	178.6	-172.5	178	-4.7	0	0	111.2	C426 R504 L505 I506 Y510 L511 T512	C426-Q508 HydrophobicContact CB-CG 4.16Å; C426-Q508 PolarHBondContact SG-NE2 3.33Å; R504-Q508 VanDerWaalsContact O-CB 3.26Å; R504-Q508 WeakPolarHBondContact O-CB 3.44Å; R504-Q508 PolarHBondContact O-N 2.8Å; L505-Q508 PolarHBondContact O-N 2.8Å; I506-Q508 PolarHBondContact O-N 2.98Å; Q508-Y510 VanDerWaalsContact C-N 3.26Å; Q508-Y510 PolarHBondContact O-N 3.34Å; Q508-L511 PolarHBondContact O-N 2.86Å; Q508-T512 VanDerWaalsContact O-CB 3.28Å; Q508-T512 WeakPolarHBondContact O-CB 3.22Å; Q508-T512 PolarHBondContact O-N 3.32Å; Q508-T512 PolarHBondContact O-OG1 2.88Å
509	H	74.4	Confident	72.8	Confident	24 Å²	24	55.7 Å²	55.7	11%	0.111	30%	0.295	C	S	.	.	H	α-helix	trans	-60.5	-43.7	177.1	-88.7	-88.1	0	0	0	111.2	L430 L505 I506 I507 L511 T512 K513 I587	L430-H509 WeakPolarHBondContact CD2-NE2 3.19Å; L505-H509 WeakPolarHBondContact O-CB 3.34Å; L505-H509 PolarHBondContact O-CD2 3.35Å; L505-H509 PolarHBondContact O-N 3.46Å; I506-H509 PolarHBondContact O-N 3.37Å; I507-H509 VanDerWaalsContact C-N 3.33Å; H509-L511 VanDerWaalsContact C-N 3.32Å; H509-T512 PolarHBondContact O-N 3.14Å; H509-K513 WeakPolarHBondContact O-CB 3.31Å; H509-K513 WeakPolarHBondContact O-CG 3.45Å; H509-K513 PolarHBondContact O-N 3.34Å; H509-I587 VanDerWaalsContact ND1-CG2 3.3Å; H509-I587 WeakPolarHBondContact ND1-CG2 3.46Å
510	Y	77.7	Confident	74.8	Confident	77 Å²	77	53 Å²	53	30%	0.302	28%	0.276	S	S	.	.	H	α-helix	trans	-64.8	-41.3	-178.2	176.2	-99.5	0	0	0	110.3	I506 I507 Q508 T512 K513 S514 L712 I719	I506-Y510 WeakPolarHBondContact O-CB 3.44Å; I506-Y510 PolarHBondContact O-N 3.32Å; I507-Y510 PolarHBondContact O-N 3.07Å; Q508-Y510 VanDerWaalsContact C-N 3.26Å; Q508-Y510 PolarHBondContact O-N 3.34Å; Y510-T512 VanDerWaalsContact C-N 3.34Å; Y510-K513 PolarHBondContact O-N 3.2Å; Y510-S514 VanDerWaalsContact O-CB 3.28Å; Y510-S514 WeakPolarHBondContact O-CB 3.47Å; Y510-S514 PolarHBondContact O-N 3.41Å; Y510-L712 HydrophobicContact CD2-CD2 3.9Å; Y510-L712 HydrophobicContact CE2-CD2 4.22Å; Y510-I719 HydrophobicContact CD2-CD1 3.66Å; Y510-I719 HydrophobicContact CE2-CD1 4.42Å; Y510-I719 HydrophobicContact CG-CD1 4.03Å
511	L	81.7	Confident	76.8	Confident	105 Å²	105	52.3 Å²	52.3	55%	0.55	27%	0.267	S	S	.	.	H	α-helix	trans	-70.2	-39	-176.5	-72.9	172.5	0	0	0	110.4	I507 Q508 H509 S514 S515	I507-L511 HydrophobicContact CG2-CD1 3.72Å; I507-L511 HydrophobicContact CG2-CG 4.14Å; I507-L511 WeakPolarHBondContact O-CB 3.38Å; I507-L511 VanDerWaalsContact O-CG 3.23Å; I507-L511 WeakPolarHBondContact O-CG 3.4Å; I507-L511 PolarHBondContact O-N 2.91Å; Q508-L511 PolarHBondContact O-N 2.86Å; H509-L511 VanDerWaalsContact C-N 3.32Å; L511-S514 PolarHBondContact O-N 2.83Å; L511-S515 WeakPolarHBondContact O-CB 3.49Å; L511-S515 PolarHBondContact O-N 3.42Å; L511-S515 PolarHBondContact O-OG 3.26Å
512	T	80.4	Confident	78.7	Confident	7 Å²	7	53.7 Å²	53.7	4%	0.043	27%	0.269	C	S	.	.	H	α-helix	trans	-65.6	-42.8	179.1	-56.9	0	0	0	0	110.8	L430 Q508 H509 Y510 S514 S515 I516 I587	L430-T512 HydrophobicContact CD1-CG2 4.14Å; Q508-T512 VanDerWaalsContact O-CB 3.28Å; Q508-T512 WeakPolarHBondContact O-CB 3.22Å; Q508-T512 PolarHBondContact O-N 3.32Å; Q508-T512 PolarHBondContact O-OG1 2.88Å; H509-T512 PolarHBondContact O-N 3.14Å; Y510-T512 VanDerWaalsContact C-N 3.34Å; T512-S514 VanDerWaalsContact C-N 3.3Å; T512-S515 WeakPolarHBondContact CA-OG 3.16Å; T512-S515 PolarHBondContact O-N 2.95Å; T512-S515 PolarHBondContact O-OG 3.23Å; T512-I516 HydrophobicContact CG2-CD1 3.93Å; T512-I516 HydrophobicContact CG2-CG1 4.31Å; T512-I516 WeakPolarHBondContact O-CB 3.25Å; T512-I516 WeakPolarHBondContact O-CG1 3.42Å; T512-I516 PolarHBondContact O-N 2.84Å; T512-I587 HydrophobicContact CG2-CD1 4Å
513	K	82	Confident	80.1	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.017	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-42.4	178.5	-75.8	-175.9	-176.8	175.3	0	110.7	H509 Y510 S515 I516 L517 L584 I587 S591 L712	H509-K513 WeakPolarHBondContact O-CB 3.31Å; H509-K513 WeakPolarHBondContact O-CG 3.45Å; H509-K513 PolarHBondContact O-N 3.34Å; Y510-K513 PolarHBondContact O-N 3.2Å; K513-S515 PolarHBondContact O-N 2.84Å; K513-I516 PolarHBondContact O-N 3.4Å; K513-L517 WeakPolarHBondContact O-CB 3.33Å; K513-L517 VanDerWaalsContact O-CG 3.27Å; K513-L517 WeakPolarHBondContact O-CG 3.25Å; K513-L517 PolarHBondContact O-N 3.32Å; K513-L584 HydrophobicContact CB-CD1 4.24Å; K513-L584 HydrophobicContact CG-CD1 4Å; K513-I587 HydrophobicContact CG-CG2 4.09Å; K513-S591 PolarHBondContact NZ-OG 3.22Å; K513-L712 HydrophobicContact CB-CD1 3.74Å; K513-L712 HydrophobicContact CB-CD2 4.14Å; K513-L712 HydrophobicContact CD-CD1 3.96Å; K513-L712 HydrophobicContact CD-CD2 3.82Å; K513-L712 HydrophobicContact CD-CG 4.17Å; K513-L712 HydrophobicContact CG-CD1 4.43Å
514	S	81.8	Confident	81.2	Confident	49 Å²	49	50.4 Å²	50.4	34%	0.343	25%	0.251	S	S	.	.	H	α-helix	trans	-64.7	-39	-179.8	-179.6	0	0	0	0	110.2	Y510 L511 T512 I516 L517 T518	Y510-S514 VanDerWaalsContact O-CB 3.28Å; Y510-S514 WeakPolarHBondContact O-CB 3.47Å; Y510-S514 PolarHBondContact O-N 3.41Å; L511-S514 PolarHBondContact O-N 2.83Å; T512-S514 VanDerWaalsContact C-N 3.3Å; S514-I516 VanDerWaalsContact C-N 3.31Å; S514-L517 PolarHBondContact O-N 3.43Å; S514-T518 WeakPolarHBondContact O-CG2 3.47Å; S514-T518 PolarHBondContact O-N 2.74Å; S514-T518 PolarHBondContact O-OG1 2.91Å
515	S	84.2	Confident	82.2	Confident	34 Å²	34	48.6 Å²	48.6	24%	0.238	25%	0.249	C	C	.	.	H	α-helix	trans	-66.6	-39.4	178.4	58.9	0	0	0	0	111.6	L511 T512 K513 L517 T518 L519	L511-S515 WeakPolarHBondContact O-CB 3.49Å; L511-S515 PolarHBondContact O-N 3.42Å; L511-S515 PolarHBondContact O-OG 3.26Å; T512-S515 WeakPolarHBondContact CA-OG 3.16Å; T512-S515 PolarHBondContact O-N 2.95Å; T512-S515 PolarHBondContact O-OG 3.23Å; K513-S515 PolarHBondContact O-N 2.84Å; S515-L517 PolarHBondContact O-N 2.67Å; S515-T518 VanDerWaalsContact CA-OG1 3.26Å; S515-T518 WeakPolarHBondContact CA-OG1 3.48Å; S515-T518 PolarHBondContact O-N 3.47Å; S515-T518 PolarHBondContact O-OG1 2.82Å; S515-L519 WeakPolarHBondContact O-CB 3.48Å; S515-L519 PolarHBondContact O-N 3.09Å
516	I	85.7	Confident	83.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65.8	-39.5	179.6	-71	175.1	0	0	0	109.4	L424 T512 K513 S514 T518 L519 L520 L580 L584 I587	L424-I516 HydrophobicContact CD1-CG1 3.89Å; T512-I516 HydrophobicContact CG2-CD1 3.93Å; T512-I516 HydrophobicContact CG2-CG1 4.31Å; T512-I516 WeakPolarHBondContact O-CB 3.25Å; T512-I516 WeakPolarHBondContact O-CG1 3.42Å; T512-I516 PolarHBondContact O-N 2.84Å; K513-I516 PolarHBondContact O-N 3.4Å; S514-I516 VanDerWaalsContact C-N 3.31Å; I516-T518 VanDerWaalsContact C-N 3.25Å; I516-T518 PolarHBondContact O-N 2.89Å; I516-L519 PolarHBondContact O-N 3.32Å; I516-L520 HydrophobicContact CG2-CD1 3.83Å; I516-L520 HydrophobicContact CG2-CG 4.1Å; I516-L520 WeakPolarHBondContact O-CB 3.33Å; I516-L520 WeakPolarHBondContact O-CG 3.47Å; I516-L520 PolarHBondContact O-N 3Å; I516-L580 HydrophobicContact CG2-CB 4.22Å; I516-L584 HydrophobicContact CB-CD1 4.41Å; I516-L584 HydrophobicContact CD1-CD1 4.47Å; I516-L584 HydrophobicContact CG2-CB 3.89Å; I516-L584 HydrophobicContact CG2-CD1 4.2Å; I516-L584 HydrophobicContact CG2-CD2 4.31Å; I516-L584 HydrophobicContact CG2-CG 4.37Å; I516-I587 HydrophobicContact CD1-CD1 3.8Å
517	L	86.2	Confident	84.3	Confident	13 Å²	13	47 Å²	47	7%	0.068	24%	0.241	C	C	.	.	H	α-helix	trans	-67	-38.8	-178.8	-77.1	172.2	0	0	0	110.4	K513 S514 S515 L519 L520 D521 L584 I705 L712	K513-L517 WeakPolarHBondContact O-CB 3.33Å; K513-L517 VanDerWaalsContact O-CG 3.27Å; K513-L517 WeakPolarHBondContact O-CG 3.25Å; K513-L517 PolarHBondContact O-N 3.32Å; S514-L517 PolarHBondContact O-N 3.43Å; S515-L517 PolarHBondContact O-N 2.67Å; L517-L519 VanDerWaalsContact C-N 3.28Å; L517-L520 PolarHBondContact O-N 3.25Å; L517-D521 PolarHBondContact O-N 2.9Å; L517-L584 HydrophobicContact CD2-CD2 3.78Å; L517-L584 HydrophobicContact CG-CD2 4.42Å; L517-I705 HydrophobicContact CD2-CG2 3.74Å; L517-L712 HydrophobicContact CD1-CD1 3.48Å; L517-L712 VanDerWaalsContact CD1-CD1 3.48Å
518	T	87.1	Confident	84.9	Confident	75 Å²	75	47.4 Å²	47.4	46%	0.46	24%	0.242	S	C	.	.	H	α-helix	trans	-65.3	-43.6	178.5	51.2	0	0	0	0	110.2	S514 S515 I516 L520 D521 M522	S514-T518 WeakPolarHBondContact O-CG2 3.47Å; S514-T518 PolarHBondContact O-N 2.74Å; S514-T518 PolarHBondContact O-OG1 2.91Å; S515-T518 VanDerWaalsContact CA-OG1 3.26Å; S515-T518 WeakPolarHBondContact CA-OG1 3.48Å; S515-T518 PolarHBondContact O-N 3.47Å; S515-T518 PolarHBondContact O-OG1 2.82Å; I516-T518 VanDerWaalsContact C-N 3.25Å; I516-T518 PolarHBondContact O-N 2.89Å; T518-L520 PolarHBondContact O-N 2.59Å; T518-D521 PolarHBondContact O-N 3.12Å; T518-M522 WeakPolarHBondContact O-CG 3.44Å; T518-M522 PolarHBondContact O-N 3.32Å
519	L	87.9	Confident	85.8	Confident	37 Å²	37	51.8 Å²	51.8	19%	0.194	26%	0.26	C	S	.	.	H	α-helix	trans	-64.4	-36.3	178.9	-172.5	61.1	0	0	0	111.3	I422 L424 S515 I516 L517 D521 M522 L523 L580	I422-L519 HydrophobicContact CG2-CD2 3.73Å; L424-L519 HydrophobicContact CD1-CD2 3.85Å; L424-L519 HydrophobicContact CG-CD2 4.4Å; S515-L519 WeakPolarHBondContact O-CB 3.48Å; S515-L519 PolarHBondContact O-N 3.09Å; I516-L519 PolarHBondContact O-N 3.32Å; L517-L519 VanDerWaalsContact C-N 3.28Å; L519-D521 PolarHBondContact O-N 3.39Å; L519-M522 PolarHBondContact O-N 3.13Å; L519-L523 HydrophobicContact CG-CD1 4.23Å; L519-L523 HydrophobicContact CG-CG 4.38Å; L519-L523 WeakPolarHBondContact O-CB 3.28Å; L519-L523 VanDerWaalsContact O-CG 3.24Å; L519-L523 WeakPolarHBondContact O-CG 3.39Å; L519-L523 PolarHBondContact O-N 2.9Å; L519-L580 HydrophobicContact CB-CD1 4.07Å; L519-L580 HydrophobicContact CD2-CD1 3.06Å; L519-L580 HydrophobicContact CD2-CD2 4.07Å; L519-L580 HydrophobicContact CD2-CG 4.16Å; L519-L580 HydrophobicContact CG-CD1 3.48Å; L519-L580 VanDerWaalsContact CG-CD1 3.48Å
520	L	87	Confident	86.6	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-65.3	-37.4	178.1	-78.4	175.1	0	0	0	110.8	I516 L517 T518 M522 L523 M524 R577 L580 L584 I705	I516-L520 HydrophobicContact CG2-CD1 3.83Å; I516-L520 HydrophobicContact CG2-CG 4.1Å; I516-L520 WeakPolarHBondContact O-CB 3.33Å; I516-L520 WeakPolarHBondContact O-CG 3.47Å; I516-L520 PolarHBondContact O-N 3Å; L517-L520 PolarHBondContact O-N 3.25Å; T518-L520 PolarHBondContact O-N 2.59Å; L520-M522 PolarHBondContact O-N 2.88Å; L520-L523 PolarHBondContact O-N 3.32Å; L520-M524 WeakPolarHBondContact O-CB 3.09Å; L520-M524 VanDerWaalsContact O-CG 3.24Å; L520-M524 WeakPolarHBondContact O-CG 3.37Å; L520-M524 PolarHBondContact O-N 3.1Å; L520-R577 HydrophobicContact CD2-CG 3.79Å; L520-L580 HydrophobicContact CD2-CB 3.71Å; L520-L580 HydrophobicContact CD2-CD1 4.31Å; L520-L580 HydrophobicContact CG-CB 4.25Å; L520-L584 HydrophobicContact CD1-CD2 3.94Å; L520-I705 HydrophobicContact CD1-CD1 4.01Å; L520-I705 HydrophobicContact CD1-CG1 4.41Å; L520-I705 HydrophobicContact CD1-CG2 4.4Å
521	D	87.9	Confident	87.2	Confident	58 Å²	58	50.8 Å²	50.8	31%	0.31	26%	0.255	S	S	.	.	H	α-helix	trans	-65.4	-41.3	177.5	-74.1	-20.9	0	0	0	110.6	L517 T518 L519 L523 M524 K525 R709	L517-D521 PolarHBondContact O-N 2.9Å; T518-D521 PolarHBondContact O-N 3.12Å; L519-D521 PolarHBondContact O-N 3.39Å; D521-L523 VanDerWaalsContact C-N 3.28Å; D521-M524 PolarHBondContact O-N 3.02Å; D521-K525 WeakPolarHBondContact O-CG 3.44Å; D521-K525 PolarHBondContact O-N 3.28Å; D521-K525 VanDerWaalsContact O-N 3.1Å; D521-R709 VanDerWaalsContact CG-NH2 3.27Å; D521-R709 IonicContact OD1-NH2 3.97Å; D521-R709 PolarHBondContact OD1-NH2 3.39Å; D521-R709 IonicContact OD2-CZ 3.92Å; D521-R709 IonicContact OD2-NH1 3.75Å; D521-R709 IonicContact OD2-NH2 3.7Å; D521-R709 PolarHBondContact OD2-NH2 3.39Å
522	M	89.9	Confident	87.6	Confident	115 Å²	115	52.8 Å²	52.8	57%	0.567	26%	0.256	S	S	*	.	H	α-helix	trans	-65.6	-41.4	179.5	-71.6	-171.5	64	0	0	110.3	T518 L519 L520 M524 K525 D526	T518-M522 WeakPolarHBondContact O-CG 3.44Å; T518-M522 PolarHBondContact O-N 3.32Å; L519-M522 PolarHBondContact O-N 3.13Å; L520-M522 PolarHBondContact O-N 2.88Å; M522-M524 PolarHBondContact O-N 2.98Å; M522-K525 PolarHBondContact O-N 3.43Å; M522-D526 PolarHBondContact O-N 3.45Å
523	L	89.4	Confident	88	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.026	27%	0.268	C	S	.	.	H	α-helix	trans	-63.4	-36.3	179.6	-76.5	174.6	0	0	0	111.3	I422 L519 L520 D521 K525 D526 I527 L573 C576 R577 L580	I422-L523 HydrophobicContact CD1-CD2 4.18Å; L519-L523 HydrophobicContact CG-CD1 4.23Å; L519-L523 HydrophobicContact CG-CG 4.38Å; L519-L523 WeakPolarHBondContact O-CB 3.28Å; L519-L523 VanDerWaalsContact O-CG 3.24Å; L519-L523 WeakPolarHBondContact O-CG 3.39Å; L519-L523 PolarHBondContact O-N 2.9Å; L520-L523 PolarHBondContact O-N 3.32Å; D521-L523 VanDerWaalsContact C-N 3.28Å; L523-K525 VanDerWaalsContact C-N 3.28Å; L523-K525 PolarHBondContact O-N 2.22Å; L523-D526 PolarHBondContact O-N 2.78Å; L523-I527 VanDerWaalsContact O-CB 3.23Å; L523-I527 WeakPolarHBondContact O-CB 3.49Å; L523-I527 WeakPolarHBondContact O-CD1 2.93Å; L523-I527 WeakPolarHBondContact O-CG1 3.4Å; L523-I527 PolarHBondContact O-N 3.15Å; L523-L573 HydrophobicContact CD2-CD2 3.75Å; L523-C576 HydrophobicContact CD1-CB 4.17Å; L523-C576 HydrophobicContact CD2-CB 4.46Å; L523-R577 HydrophobicContact CD1-CB 4.24Å; L523-L580 HydrophobicContact CD1-CD1 3.38Å
524	M	87.3	Confident	88.5	Confident	54 Å²	54	56.9 Å²	56.9	27%	0.266	28%	0.277	S	S	.	.	H	α-helix	trans	-65.3	-41.4	179.4	-78.8	-65.7	-60.3	0	0	110.4	L520 D521 M522 D526 I527 E528 R577	L520-M524 WeakPolarHBondContact O-CB 3.09Å; L520-M524 VanDerWaalsContact O-CG 3.24Å; L520-M524 WeakPolarHBondContact O-CG 3.37Å; L520-M524 PolarHBondContact O-N 3.1Å; D521-M524 PolarHBondContact O-N 3.02Å; M522-M524 PolarHBondContact O-N 2.98Å; M524-D526 VanDerWaalsContact C-N 3.28Å; M524-I527 PolarHBondContact O-N 3.19Å; M524-E528 PolarHBondContact O-N 3.4Å; M524-R577 VanDerWaalsContact CE-CZ 3.47Å; M524-R577 PolarHBondContact SD-NE 3.42Å; M524-R577 CovalentContact SD-NH1 0.93Å; M524-R577 PolarHBondContact SD-NH1 2.77Å; M524-R577 PolarHBondContact SD-NH2 3.43Å
525	K	89.5	Confident	88.8	Confident	162 Å²	162	60.9 Å²	60.9	70%	0.704	29%	0.285	S	S	*	.	H	α-helix	trans	-65.1	-41.5	178.6	-72.5	-179.1	-176	177.3	0	110.7	D521 M522 L523 I527 E528 K529	D521-K525 WeakPolarHBondContact O-CG 3.44Å; D521-K525 PolarHBondContact O-N 3.28Å; D521-K525 VanDerWaalsContact O-N 3.1Å; M522-K525 PolarHBondContact O-N 3.43Å; L523-K525 VanDerWaalsContact C-N 3.28Å; L523-K525 PolarHBondContact O-N 2.22Å; K525-I527 VanDerWaalsContact C-N 3.29Å; K525-E528 PolarHBondContact O-N 3.46Å; K525-K529 WeakPolarHBondContact O-CB 3.43Å; K525-K529 PolarHBondContact O-N 3.34Å
526	D	91.1	Very high	89.2	Confident	64 Å²	64	61.2 Å²	61.2	34%	0.342	29%	0.294	S	S	.	.	H	α-helix	trans	-69.1	-36.4	-179.3	-75.9	-13.3	0	0	0	111.1	M522 L523 M524 E528 K529 E530 L573	M522-D526 PolarHBondContact O-N 3.45Å; L523-D526 PolarHBondContact O-N 2.78Å; M524-D526 VanDerWaalsContact C-N 3.28Å; D526-E528 VanDerWaalsContact C-N 3.31Å; D526-K529 PolarHBondContact O-N 3.19Å; D526-E530 VanDerWaalsContact O-CB 3.28Å; D526-E530 WeakPolarHBondContact O-CB 3.37Å; D526-E530 PolarHBondContact O-N 3.21Å; D526-L573 HydrophobicContact CB-CD1 4.06Å
527	I	89.5	Confident	89.5	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-44.2	178.8	-73.3	173	0	0	0	109.7	L523 M524 K525 K529 E530 R531 L570 L573 L574 R577	L523-I527 VanDerWaalsContact O-CB 3.23Å; L523-I527 WeakPolarHBondContact O-CB 3.49Å; L523-I527 WeakPolarHBondContact O-CD1 2.93Å; L523-I527 WeakPolarHBondContact O-CG1 3.4Å; L523-I527 PolarHBondContact O-N 3.15Å; M524-I527 PolarHBondContact O-N 3.19Å; K525-I527 VanDerWaalsContact C-N 3.29Å; I527-K529 VanDerWaalsContact C-N 3.27Å; I527-K529 PolarHBondContact O-N 3.33Å; I527-E530 PolarHBondContact O-N 3.29Å; I527-R531 HydrophobicContact CG2-CG 4.39Å; I527-R531 WeakPolarHBondContact O-CB 3.05Å; I527-R531 VanDerWaalsContact O-CG 3.31Å; I527-R531 WeakPolarHBondContact O-CG 3.44Å; I527-R531 PolarHBondContact O-N 2.94Å; I527-L570 HydrophobicContact CG2-CD1 4.01Å; I527-L573 HydrophobicContact CG1-CB 3.76Å; I527-L573 HydrophobicContact CG1-CD1 4.47Å; I527-L574 HydrophobicContact CD1-CD2 3.77Å; I527-L574 HydrophobicContact CG1-CD2 4.42Å; I527-L574 HydrophobicContact CG2-CD2 4.01Å; I527-R577 HydrophobicContact CD1-CB 4.15Å; I527-R577 HydrophobicContact CD1-CG 4.48Å
528	E	88.8	Confident	89.7	Confident	64 Å²	64	64.5 Å²	64.5	30%	0.299	32%	0.315	S	S	.	.	H	α-helix	trans	-63.8	-39.5	179.2	-172.7	58.2	-153.3	0	0	111.1	M524 K525 D526 E530 R531 R532	M524-E528 PolarHBondContact O-N 3.4Å; K525-E528 PolarHBondContact O-N 3.46Å; D526-E528 VanDerWaalsContact C-N 3.31Å; E528-E530 VanDerWaalsContact C-N 3.3Å; E528-R531 PolarHBondContact O-N 3.15Å; E528-R532 VanDerWaalsContact CG-CZ 3.41Å; E528-R532 WeakPolarHBondContact O-CG 3.39Å; E528-R532 PolarHBondContact O-N 3.39Å; E528-R532 VanDerWaalsContact O-N 3.15Å; E528-R532 IonicContact OE1-CZ 3.96Å; E528-R532 IonicContact OE1-NE 2.59Å; E528-R532 IonicContact OE1-NH2 3.72Å
529	K	91.4	Very high	89.8	Confident	135 Å²	135	65.6 Å²	65.6	59%	0.587	32%	0.318	S	S	*	.	H	α-helix	trans	-63.7	-45.3	177.8	-176.8	179.9	176.7	-177.8	0	110.9	K525 D526 I527 R531 R532 T533	K525-K529 WeakPolarHBondContact O-CB 3.43Å; K525-K529 PolarHBondContact O-N 3.34Å; D526-K529 PolarHBondContact O-N 3.19Å; I527-K529 VanDerWaalsContact C-N 3.27Å; I527-K529 PolarHBondContact O-N 3.33Å; K529-R531 VanDerWaalsContact C-N 3.28Å; K529-R531 PolarHBondContact O-N 2.99Å; K529-R532 PolarHBondContact O-N 2.75Å; K529-T533 WeakPolarHBondContact O-CG2 3.13Å; K529-T533 PolarHBondContact O-N 2.85Å; K529-T533 PolarHBondContact O-OG1 3.33Å
530	E	91.2	Very high	89.8	Confident	21 Å²	21	66.7 Å²	66.7	10%	0.098	32%	0.324	C	S	.	.	H	α-helix	trans	-67.9	0	-178.6	-167.3	64.2	-151.7	0	0	111.2	D526 I527 E528 R532 T533 K534 S566 R569 L570 L573	D526-E530 VanDerWaalsContact O-CB 3.28Å; D526-E530 WeakPolarHBondContact O-CB 3.37Å; D526-E530 PolarHBondContact O-N 3.21Å; I527-E530 PolarHBondContact O-N 3.29Å; E528-E530 VanDerWaalsContact C-N 3.3Å; E530-R532 VanDerWaalsContact C-N 3.27Å; E530-R532 PolarHBondContact O-N 3.39Å; E530-T533 WeakPolarHBondContact CA-OG1 3.44Å; E530-T533 PolarHBondContact O-N 3.32Å; E530-T533 PolarHBondContact O-OG1 3.43Å; E530-T533 PolarHBondContact OE1-OG1 3.17Å; E530-K534 WeakPolarHBondContact O-CB 3.28Å; E530-K534 PolarHBondContact O-N 3.4Å; E530-S566 WeakPolarHBondContact OE1-CA 3.5Å; E530-S566 WeakPolarHBondContact OE1-CB 3.44Å; E530-S566 PolarHBondContact OE1-OG 2.07Å; E530-R569 IonicContact OE2-NE 3.32Å; E530-L570 HydrophobicContact CB-CD1 4.23Å; E530-L570 HydrophobicContact CG-CB 3.97Å; E530-L570 HydrophobicContact CG-CD1 4.36Å; E530-L573 HydrophobicContact CB-CD1 4.28Å
531	R	90.1	Very high	89.8	Confident	60 Å²	60	66.5 Å²	66.5	23%	0.226	32%	0.323	C	S	.	.	H	α-helix		0	-36.7	0	-81.7	-174.5	173.1	170.7	0.5	110.7	I527 E528 K529 T533 R535 L570 D698	I527-R531 HydrophobicContact CG2-CG 4.39Å; I527-R531 WeakPolarHBondContact O-CB 3.05Å; I527-R531 VanDerWaalsContact O-CG 3.31Å; I527-R531 WeakPolarHBondContact O-CG 3.44Å; I527-R531 PolarHBondContact O-N 2.94Å; E528-R531 PolarHBondContact O-N 3.15Å; K529-R531 VanDerWaalsContact C-N 3.28Å; K529-R531 PolarHBondContact O-N 2.99Å; R531-T533 VanDerWaalsContact C-N 3.35Å; R531-R535 WeakPolarHBondContact O-CG 3.4Å; R531-R535 PolarHBondContact O-N 3.14Å; R531-L570 HydrophobicContact CG-CD1 4.02Å; R531-L570 HydrophobicContact CG-CD2 4.27Å; R531-D698 IonicContact CZ-OD2 2.84Å; R531-D698 IonicContact NH1-OD2 2.99Å; R531-D698 IonicContact NH2-OD2 3.48Å; R531-D698 PolarHBondContact NH2-OD2 2.9Å; R531-D698 VanDerWaalsContact NH2-OD2 3.16Å
532	R	90.4	Very high	89.8	Confident	146 Å²	146	68.1 Å²	68.1	55%	0.551	33%	0.328	S	S	*	.	H	α-helix	trans	-70.5	-40.5	179.2	-72.5	-174.5	-163.4	107.3	-0.5	110.6	E528 K529 E530 K534 R535 G536	E528-R532 VanDerWaalsContact CG-CZ 3.41Å; E528-R532 WeakPolarHBondContact O-CG 3.39Å; E528-R532 PolarHBondContact O-N 3.39Å; E528-R532 VanDerWaalsContact O-N 3.15Å; E528-R532 IonicContact OE1-CZ 3.96Å; E528-R532 IonicContact OE1-NE 2.59Å; E528-R532 IonicContact OE1-NH2 3.72Å; K529-R532 PolarHBondContact O-N 2.75Å; E530-R532 VanDerWaalsContact C-N 3.27Å; E530-R532 PolarHBondContact O-N 3.39Å; R532-K534 VanDerWaalsContact C-N 3.26Å; R532-K534 PolarHBondContact O-N 3.33Å; R532-R535 PolarHBondContact O-N 2.74Å; R532-G536 PolarHBondContact O-N 2.91Å
533	T	90.5	Very high	89.6	Confident	51 Å²	51	66 Å²	66	31%	0.313	32%	0.322	S	S	.	.	H	α-helix	trans	-63.3	-42.8	179	55.1	0	0	0	0	110.6	K529 E530 R531 R535 G536 L537 S566	K529-T533 WeakPolarHBondContact O-CG2 3.13Å; K529-T533 PolarHBondContact O-N 2.85Å; K529-T533 PolarHBondContact O-OG1 3.33Å; E530-T533 WeakPolarHBondContact CA-OG1 3.44Å; E530-T533 PolarHBondContact O-N 3.32Å; E530-T533 PolarHBondContact O-OG1 3.43Å; E530-T533 PolarHBondContact OE1-OG1 3.17Å; R531-T533 VanDerWaalsContact C-N 3.35Å; T533-R535 VanDerWaalsContact C-N 3.26Å; T533-R535 PolarHBondContact O-N 2.94Å; T533-G536 PolarHBondContact O-N 3.33Å; T533-L537 WeakPolarHBondContact O-CB 3.34Å; T533-L537 VanDerWaalsContact O-CG 3.25Å; T533-L537 WeakPolarHBondContact O-CG 3.43Å; T533-L537 PolarHBondContact O-N 2.95Å; T533-S566 PolarHBondContact OG1-OG 3.47Å
534	K	90.9	Very high	89.4	Confident	47 Å²	47	68.6 Å²	68.6	20%	0.204	33%	0.332	C	S	.	.	H	α-helix	trans	-60.2	-47.1	178.6	177.7	-163.8	162.6	-178.7	0	111.2	E530 R532 G536 L537 S538 L563 R567 L570 E694	E530-K534 WeakPolarHBondContact O-CB 3.28Å; E530-K534 PolarHBondContact O-N 3.4Å; R532-K534 VanDerWaalsContact C-N 3.26Å; R532-K534 PolarHBondContact O-N 3.33Å; K534-G536 PolarHBondContact O-N 3.28Å; K534-L537 PolarHBondContact O-N 2.83Å; K534-S538 WeakPolarHBondContact O-CB 3.42Å; K534-S538 PolarHBondContact O-N 3.23Å; K534-L563 HydrophobicContact CG-CD1 4.27Å; K534-R567 HydrophobicContact CD-CG 4.27Å; K534-R567 HydrophobicContact CG-CG 4.2Å; K534-L570 HydrophobicContact CD-CD2 4.02Å; K534-E694 IonicContact NZ-OE2 3.22Å; K534-E694 PolarHBondContact NZ-OE2 3.49Å
535	R	89.7	Confident	89.1	Confident	132 Å²	132	67.4 Å²	67.4	50%	0.498	33%	0.33	S	S	.	.	H	α-helix	trans	-60	-42.8	179.4	-78.7	-173.2	-135.8	120.9	-0.3	110.9	R531 R532 T533 L537 S538 N539	R531-R535 WeakPolarHBondContact O-CG 3.4Å; R531-R535 PolarHBondContact O-N 3.14Å; R532-R535 PolarHBondContact O-N 2.74Å; T533-R535 VanDerWaalsContact C-N 3.26Å; T533-R535 PolarHBondContact O-N 2.94Å; R535-L537 VanDerWaalsContact C-N 3.33Å; R535-S538 PolarHBondContact O-N 3.19Å; R535-N539 VanDerWaalsContact O-CG 3.27Å; R535-N539 PolarHBondContact O-N 2.88Å; R535-N539 PolarHBondContact O-ND2 3.25Å
536	G	92.8	Very high	88.7	Confident	42 Å²	42	65.2 Å²	65.2	43%	0.433	32%	0.323	S	S	.	.	H	α-helix	trans	-62.7	-45.4	179.5	0	0	0	0	0	111	R532 T533 K534 S538 N539 L540	R532-G536 PolarHBondContact O-N 2.91Å; T533-G536 PolarHBondContact O-N 3.33Å; K534-G536 PolarHBondContact O-N 3.28Å; G536-S538 VanDerWaalsContact C-N 3.27Å; G536-N539 PolarHBondContact O-N 2.9Å; G536-L540 WeakPolarHBondContact O-CB 3.28Å; G536-L540 PolarHBondContact O-N 3.42Å
537	L	91.4	Very high	88.2	Confident	34 Å²	34	66.7 Å²	66.7	18%	0.178	33%	0.327	C	S	.	.	H	α-helix	trans	-69.9	-36.7	-178.2	-73.2	168.4	0	0	0	111.4	T533 K534 R535 N539 L540 V541 R562 L563	T533-L537 WeakPolarHBondContact O-CB 3.34Å; T533-L537 VanDerWaalsContact O-CG 3.25Å; T533-L537 WeakPolarHBondContact O-CG 3.43Å; T533-L537 PolarHBondContact O-N 2.95Å; K534-L537 PolarHBondContact O-N 2.83Å; R535-L537 VanDerWaalsContact C-N 3.33Å; L537-N539 PolarHBondContact O-N 2.98Å; L537-L540 HydrophobicContact CD2-CD2 4.32Å; L537-L540 WeakPolarHBondContact O-CB 3.38Å; L537-L540 PolarHBondContact O-N 3.37Å; L537-L540 VanDerWaalsContact O-N 3.1Å; L537-V541 WeakPolarHBondContact O-CG2 3.46Å; L537-V541 PolarHBondContact O-N 3.04Å; L537-R562 HydrophobicContact CD1-CB 4.19Å; L537-R562 HydrophobicContact CD2-CB 4.17Å; L537-L563 HydrophobicContact CB-CB 4.42Å; L537-L563 HydrophobicContact CB-CD1 3.92Å
538	S	89.4	Confident	87.3	Confident	47 Å²	47	71.2 Å²	71.2	33%	0.329	36%	0.357	S	S	.	.	H	α-helix	trans	-60.2	-43.2	176.2	-178.4	0	0	0	0	111.1	K534 R535 G536 L540 V541 Q542	K534-S538 WeakPolarHBondContact O-CB 3.42Å; K534-S538 PolarHBondContact O-N 3.23Å; R535-S538 PolarHBondContact O-N 3.19Å; G536-S538 VanDerWaalsContact C-N 3.27Å; S538-L540 PolarHBondContact O-N 3.47Å; S538-V541 PolarHBondContact O-N 3.25Å; S538-Q542 WeakPolarHBondContact O-CB 3.44Å; S538-Q542 PolarHBondContact O-N 3.21Å
539	N	90	Very high	86.7	Confident	99 Å²	99	72.8 Å²	72.8	53%	0.529	38%	0.38	S	S	.	.	H	α-helix	trans	-65.2	-36.1	178.2	-73.6	-15.5	0	0	0	111.3	R535 G536 L537 V541 Q542 V543	R535-N539 VanDerWaalsContact O-CG 3.27Å; R535-N539 PolarHBondContact O-N 2.88Å; R535-N539 PolarHBondContact O-ND2 3.25Å; G536-N539 PolarHBondContact O-N 2.9Å; L537-N539 PolarHBondContact O-N 2.98Å; N539-V541 VanDerWaalsContact C-N 3.34Å; N539-Q542 WeakPolarHBondContact O-CB 3.49Å; N539-Q542 PolarHBondContact O-N 3.49Å; N539-V543 WeakPolarHBondContact O-CG2 3.43Å; N539-V543 PolarHBondContact O-N 3.4Å
540	L	87.8	Confident	85.9	Confident	59 Å²	59	74.2 Å²	74.2	31%	0.309	38%	0.383	S	S	.	.	H	α-helix	trans	-67.4	-48.1	-179.3	-177.6	64.7	0	0	0	110.7	G536 L537 S538 Q542 V543 Y544	G536-L540 WeakPolarHBondContact O-CB 3.28Å; G536-L540 PolarHBondContact O-N 3.42Å; L537-L540 HydrophobicContact CD2-CD2 4.32Å; L537-L540 WeakPolarHBondContact O-CB 3.38Å; L537-L540 PolarHBondContact O-N 3.37Å; L537-L540 VanDerWaalsContact O-N 3.1Å; S538-L540 PolarHBondContact O-N 3.47Å; L540-Q542 PolarHBondContact O-N 3.44Å; L540-V543 PolarHBondContact O-N 3.48Å; L540-V543 VanDerWaalsContact O-N 3.1Å; L540-Y544 HydrophobicContact CD1-CD1 4.37Å; L540-Y544 HydrophobicContact CD1-CD2 4.33Å; L540-Y544 HydrophobicContact CD1-CE1 3.81Å; L540-Y544 HydrophobicContact CD1-CE2 3.77Å; L540-Y544 VanDerWaalsContact CD1-CZ 3.48Å; L540-Y544 HydrophobicContact CD2-CE2 4.05Å; L540-Y544 HydrophobicContact CG-CD2 4.05Å; L540-Y544 HydrophobicContact CG-CE2 3.74Å; L540-Y544 WeakPolarHBondContact O-CB 3.32Å; L540-Y544 PolarHBondContact O-N 3.02Å
541	V	87.2	Confident	85.4	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-61.5	-38.5	-179.9	171.6	0	0	0	0	109.9	L537 S538 N539 V543 Y544 A545 R560 L563 M681	L537-V541 WeakPolarHBondContact O-CG2 3.46Å; L537-V541 PolarHBondContact O-N 3.04Å; S538-V541 PolarHBondContact O-N 3.25Å; N539-V541 VanDerWaalsContact C-N 3.34Å; V541-V543 PolarHBondContact O-N 3.09Å; V541-Y544 PolarHBondContact O-N 3.34Å; V541-A545 WeakPolarHBondContact O-CB 3.42Å; V541-A545 PolarHBondContact O-N 3.38Å; V541-R560 HydrophobicContact CG1-CG 4.06Å; V541-L563 HydrophobicContact CB-CD2 4.41Å; V541-L563 HydrophobicContact CG2-CB 4.19Å; V541-L563 HydrophobicContact CG2-CD2 4.09Å; V541-M681 WeakPolarHBondContact CG1-O 3.17Å; V541-M681 HydrophobicContact CG1-SD 4.05Å
542	Q	86.7	Confident	85	Confident	91 Å²	91	76.2 Å²	76.2	43%	0.425	40%	0.4	S	S	.	.	H	α-helix	trans	-62.6	-39.1	177.9	-170.4	174.9	-6.3	0	0	111.4	S538 N539 L540 Y544 A545 H546	S538-Q542 WeakPolarHBondContact O-CB 3.44Å; S538-Q542 PolarHBondContact O-N 3.21Å; N539-Q542 WeakPolarHBondContact O-CB 3.49Å; N539-Q542 PolarHBondContact O-N 3.49Å; L540-Q542 PolarHBondContact O-N 3.44Å; Q542-Y544 VanDerWaalsContact C-N 3.31Å; Q542-A545 PolarHBondContact O-N 2.97Å; Q542-H546 WeakPolarHBondContact CG-CE1 3.44Å; Q542-H546 WeakPolarHBondContact CG-ND1 3.14Å; Q542-H546 VanDerWaalsContact O-CB 3.3Å; Q542-H546 WeakPolarHBondContact O-CB 3.43Å; Q542-H546 VanDerWaalsContact O-CG 3.24Å; Q542-H546 PolarHBondContact O-N 3.48Å; Q542-H546 PolarHBondContact O-ND1 3.19Å
543	V	85.7	Confident	84.6	Confident	70 Å²	70	74 Å²	74	42%	0.424	40%	0.398	S	S	.	.	H	α-helix	trans	-70.3	-42.2	-179.7	171.6	0	0	0	0	109.2	N539 L540 V541 A545 H546 Q547	N539-V543 WeakPolarHBondContact O-CG2 3.43Å; N539-V543 PolarHBondContact O-N 3.4Å; L540-V543 PolarHBondContact O-N 3.48Å; L540-V543 VanDerWaalsContact O-N 3.1Å; V541-V543 PolarHBondContact O-N 3.09Å; V543-A545 PolarHBondContact O-N 3.28Å; V543-H546 PolarHBondContact O-N 3.46Å; V543-Q547 PolarHBondContact O-N 2.91Å
544	Y	85.6	Confident	84.3	Confident	60 Å²	60	76.9 Å²	76.9	24%	0.235	41%	0.412	C	S	.	.	H	α-helix	trans	-67.7	-33.2	-178.7	-79.1	-7	0	0	0	110.7	L540 V541 Q542 T551 L556 S559	L540-Y544 HydrophobicContact CD1-CD1 4.37Å; L540-Y544 HydrophobicContact CD1-CD2 4.33Å; L540-Y544 HydrophobicContact CD1-CE1 3.81Å; L540-Y544 HydrophobicContact CD1-CE2 3.77Å; L540-Y544 VanDerWaalsContact CD1-CZ 3.48Å; L540-Y544 HydrophobicContact CD2-CE2 4.05Å; L540-Y544 HydrophobicContact CG-CD2 4.05Å; L540-Y544 HydrophobicContact CG-CE2 3.74Å; L540-Y544 WeakPolarHBondContact O-CB 3.32Å; L540-Y544 PolarHBondContact O-N 3.02Å; V541-Y544 PolarHBondContact O-N 3.34Å; Q542-Y544 VanDerWaalsContact C-N 3.31Å; Y544-T551 HydrophobicContact CD1-CG2 2.73Å; Y544-T551 HydrophobicContact CD2-CG2 3.85Å; Y544-T551 HydrophobicContact CE1-CG2 2.69Å; Y544-T551 HydrophobicContact CE2-CG2 3.83Å; Y544-T551 HydrophobicContact CG-CG2 3.36Å; Y544-L556 HydrophobicContact CG-CD1 4.4Å; Y544-S559 WeakPolarHBondContact CD2-OG 3.26Å; Y544-S559 VanDerWaalsContact CE2-OG 3.3Å; Y544-S559 WeakPolarHBondContact CE2-OG 3.35Å
545	A	81.6	Confident	84.1	Confident	29 Å²	29	77.6 Å²	77.6	24%	0.24	42%	0.42	C	S	.	.	H	α-helix	trans	-74.7	-37.6	-178.6	0	0	0	0	0	111.2	V541 Q542 V543 M681	V541-A545 WeakPolarHBondContact O-CB 3.42Å; V541-A545 PolarHBondContact O-N 3.38Å; Q542-A545 PolarHBondContact O-N 2.97Å; V543-A545 PolarHBondContact O-N 3.28Å; A545-M681 HydrophobicContact CB-CE 4.46Å
546	H	81.7	Confident	83.9	Confident	117 Å²	117	72 Å²	72	54%	0.542	40%	0.4	S	S	.	.	H	α-helix	trans	-83	0	-174	-74.6	88	0	0	0	110.3	Q542 V543 P548	Q542-H546 WeakPolarHBondContact CG-CE1 3.44Å; Q542-H546 WeakPolarHBondContact CG-ND1 3.14Å; Q542-H546 VanDerWaalsContact O-CB 3.3Å; Q542-H546 WeakPolarHBondContact O-CB 3.43Å; Q542-H546 VanDerWaalsContact O-CG 3.24Å; Q542-H546 PolarHBondContact O-N 3.48Å; Q542-H546 PolarHBondContact O-ND1 3.19Å; V543-H546 PolarHBondContact O-N 3.46Å; H546-P548 WeakPolarHBondContact O-CD 3.4Å
547	Q	79.2	Confident	83.5	Confident	95 Å²	95	73.5 Å²	73.5	44%	0.444	40%	0.397	S	S	.	.				0	88.7	0	-70.8	179.1	-7.4	0	0	108.8	V543 A549 Y550	V543-Q547 PolarHBondContact O-N 2.91Å; Q547-A549 PolarHBondContact O-N 2.76Å; Q547-Y550 HydrophobicContact CB-CD2 3.5Å; Q547-Y550 VanDerWaalsContact CB-CD2 3.5Å; Q547-Y550 HydrophobicContact CB-CE2 4Å; Q547-Y550 HydrophobicContact CG-CD2 4.28Å; Q547-Y550 HydrophobicContact CG-CE2 4.31Å; Q547-Y550 PolarHBondContact O-N 3.34Å
548	P	72	Confident	83.3	Confident	97 Å²	97	76.2 Å²	76.2	63%	0.63	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-72.9	-7.9	-176.1	15.8	-18.2	0	0	0	111.8	H546 Y550 T551	H546-P548 WeakPolarHBondContact O-CD 3.4Å; P548-Y550 PolarHBondContact O-N 2.79Å; P548-T551 PolarHBondContact O-N 3.36Å
549	A	75.1	Confident	83.2	Confident	96 Å²	96	74.5 Å²	74.5	79%	0.793	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-69.2	-14.8	180	0	0	0	0	0	111	Q547 T551	Q547-A549 PolarHBondContact O-N 2.76Å; A549-T551 VanDerWaalsContact C-N 3.33Å
550	Y	75.6	Confident	83.1	Confident	166 Å²	166	71.7 Å²	71.7	65%	0.651	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-104.8	6.6	-171.7	-72.4	-75.1	0	0	0	109.8	Q547 P548	Q547-Y550 HydrophobicContact CB-CD2 3.5Å; Q547-Y550 VanDerWaalsContact CB-CD2 3.5Å; Q547-Y550 HydrophobicContact CB-CE2 4Å; Q547-Y550 HydrophobicContact CG-CD2 4.28Å; Q547-Y550 HydrophobicContact CG-CE2 4.31Å; Q547-Y550 PolarHBondContact O-N 3.34Å; P548-Y550 PolarHBondContact O-N 2.79Å
551	T	79.1	Confident	83.1	Confident	29 Å²	29	71.6 Å²	71.6	18%	0.178	38%	0.377	C	S	.	.	S	Bend	trans	-159.8	152.1	-178.2	60.8	0	0	0	0	109.2	Y544 P548 A549 T555	Y544-T551 HydrophobicContact CD1-CG2 2.73Å; Y544-T551 HydrophobicContact CD2-CG2 3.85Å; Y544-T551 HydrophobicContact CE1-CG2 2.69Å; Y544-T551 HydrophobicContact CE2-CG2 3.83Å; Y544-T551 HydrophobicContact CG-CG2 3.36Å; P548-T551 PolarHBondContact O-N 3.36Å; A549-T551 VanDerWaalsContact C-N 3.33Å; T551-T555 WeakPolarHBondContact CB-OG1 3.21Å
552	N	82.9	Confident	83.2	Confident	93 Å²	93	78.7 Å²	78.7	50%	0.497	40%	0.403	S	S	.	.			trans	-80.7	145.6	171.7	-169.8	-15.7	0	0	0	111.3	D554 T555 L556	N552-D554 PolarHBondContact O-N 3.26Å; N552-D554 VanDerWaalsContact O-N 3.12Å; N552-D554 PolarHBondContact OD1-N 3.17Å; N552-T555 WeakPolarHBondContact CA-OG1 2.82Å; N552-T555 HydrophobicContact CB-CG2 4.2Å; N552-T555 PolarHBondContact N-OG1 3.25Å; N552-T555 WeakPolarHBondContact O-CB 3.37Å; N552-T555 PolarHBondContact O-N 3.39Å; N552-T555 PolarHBondContact O-OG1 3.37Å; N552-L556 PolarHBondContact O-N 3.03Å
553	I	82.2	Confident	83.3	Confident	100 Å²	100	74.6 Å²	74.6	51%	0.513	38%	0.384	S	S	.	.	H	α-helix	trans	-50.9	-31.5	-178.9	-171.5	70	0	0	0	110.1	T555 L556 M557	I553-T555 VanDerWaalsContact C-N 3.28Å; I553-T555 PolarHBondContact O-N 2.84Å; I553-L556 HydrophobicContact CD1-CD2 4.35Å; I553-L556 PolarHBondContact O-N 3.05Å; I553-M557 HydrophobicContact CD1-CE 4.29Å; I553-M557 HydrophobicContact CG1-CE 4.48Å; I553-M557 HydrophobicContact CG1-CG 4.44Å; I553-M557 WeakPolarHBondContact O-CB 3.43Å; I553-M557 WeakPolarHBondContact O-CG 3.2Å; I553-M557 PolarHBondContact O-N 2.88Å
554	D	84.5	Confident	83.4	Confident	111 Å²	111	73.1 Å²	73.1	59%	0.594	37%	0.372	S	S	*	.	H	α-helix	trans	-70.8	-39	-179.2	-69.8	-26.3	0	0	0	110.8	N552 L556 M557 E558	N552-D554 PolarHBondContact O-N 3.26Å; N552-D554 VanDerWaalsContact O-N 3.12Å; N552-D554 PolarHBondContact OD1-N 3.17Å; D554-L556 PolarHBondContact O-N 3.3Å; D554-M557 PolarHBondContact O-N 3.31Å; D554-E558 WeakPolarHBondContact O-CB 3.4Å; D554-E558 PolarHBondContact O-N 3.21Å
555	T	85.9	Confident	83.6	Confident	62 Å²	62	75.5 Å²	75.5	38%	0.38	38%	0.384	S	S	.	.	H	α-helix	trans	-68	-39.2	179.4	51.2	0	0	0	0	110.9	T551 N552 I553 M557 E558 S559	T551-T555 WeakPolarHBondContact CB-OG1 3.21Å; N552-T555 WeakPolarHBondContact CA-OG1 2.82Å; N552-T555 HydrophobicContact CB-CG2 4.2Å; N552-T555 PolarHBondContact N-OG1 3.25Å; N552-T555 WeakPolarHBondContact O-CB 3.37Å; N552-T555 PolarHBondContact O-N 3.39Å; N552-T555 PolarHBondContact O-OG1 3.37Å; I553-T555 VanDerWaalsContact C-N 3.28Å; I553-T555 PolarHBondContact O-N 2.84Å; T555-M557 PolarHBondContact O-N 3.49Å; T555-E558 PolarHBondContact O-N 2.74Å; T555-S559 PolarHBondContact O-N 2.51Å; T555-S559 PolarHBondContact O-OG 3.17Å
556	L	85.7	Confident	84	Confident	16 Å²	16	74.3 Å²	74.3	8%	0.084	37%	0.374	C	S	.	.	H	α-helix	trans	-62.9	-41.7	177.2	175.3	63.4	0	0	0	110.3	Y544 N552 I553 D554 E558 S559 R560	Y544-L556 HydrophobicContact CG-CD1 4.4Å; N552-L556 PolarHBondContact O-N 3.03Å; I553-L556 HydrophobicContact CD1-CD2 4.35Å; I553-L556 PolarHBondContact O-N 3.05Å; D554-L556 PolarHBondContact O-N 3.3Å; L556-E558 PolarHBondContact O-N 3.2Å; L556-S559 PolarHBondContact O-N 2.97Å; L556-R560 WeakPolarHBondContact O-CG 3.46Å; L556-R560 PolarHBondContact O-N 3.46Å
557	M	83.3	Confident	84.3	Confident	72 Å²	72	70.7 Å²	70.7	36%	0.355	36%	0.356	S	S	.	.	H	α-helix	trans	-66.2	-38.4	-179.5	-73.8	-60.3	178.4	0	0	110.1	I553 D554 T555 S559 R560 H561	I553-M557 HydrophobicContact CD1-CE 4.29Å; I553-M557 HydrophobicContact CG1-CE 4.48Å; I553-M557 HydrophobicContact CG1-CG 4.44Å; I553-M557 WeakPolarHBondContact O-CB 3.43Å; I553-M557 WeakPolarHBondContact O-CG 3.2Å; I553-M557 PolarHBondContact O-N 2.88Å; D554-M557 PolarHBondContact O-N 3.31Å; T555-M557 PolarHBondContact O-N 3.49Å; M557-S559 VanDerWaalsContact C-N 3.26Å; M557-S559 PolarHBondContact O-N 2.85Å; M557-R560 PolarHBondContact O-N 3.04Å; M557-H561 WeakPolarHBondContact O-CB 3.42Å; M557-H561 PolarHBondContact O-N 3.08Å
558	E	87.8	Confident	84.6	Confident	92 Å²	92	68.1 Å²	68.1	43%	0.43	35%	0.346	S	S	.	.	H	α-helix	trans	-63.1	-42.3	176.7	-179.3	61.8	-156.8	0	0	111.6	D554 T555 L556 R560 H561 R562	D554-E558 WeakPolarHBondContact O-CB 3.4Å; D554-E558 PolarHBondContact O-N 3.21Å; T555-E558 PolarHBondContact O-N 2.74Å; L556-E558 PolarHBondContact O-N 3.2Å; E558-R560 PolarHBondContact O-N 3.39Å; E558-H561 WeakPolarHBondContact O-CB 3.36Å; E558-H561 PolarHBondContact O-N 3.45Å; E558-R562 VanDerWaalsContact O-CG 3.23Å; E558-R562 WeakPolarHBondContact O-CG 3.3Å; E558-R562 PolarHBondContact O-N 3.07Å; E558-R562 IonicContact OE1-NE 3.27Å
559	S	87	Confident	85.4	Confident	11 Å²	11	70.5 Å²	70.5	8%	0.077	34%	0.343	C	S	.	.	H	α-helix	trans	-64.3	-38.7	177.8	-56.4	0	0	0	0	111	Y544 T555 L556 M557 H561 R562 L563	Y544-S559 WeakPolarHBondContact CD2-OG 3.26Å; Y544-S559 VanDerWaalsContact CE2-OG 3.3Å; Y544-S559 WeakPolarHBondContact CE2-OG 3.35Å; T555-S559 PolarHBondContact O-N 2.51Å; T555-S559 PolarHBondContact O-OG 3.17Å; L556-S559 PolarHBondContact O-N 2.97Å; M557-S559 VanDerWaalsContact C-N 3.26Å; M557-S559 PolarHBondContact O-N 2.85Å; S559-H561 PolarHBondContact O-N 3.23Å; S559-R562 PolarHBondContact O-N 2.79Å; S559-L563 WeakPolarHBondContact O-CB 3.44Å; S559-L563 PolarHBondContact O-N 3.39Å
560	R	87.4	Confident	86	Confident	39 Å²	39	66 Å²	66	15%	0.147	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-39.8	176.9	-76.6	-177.3	171.4	163.4	0.4	110.5	V541 L556 M557 E558 R562 L563 F564 L680 M681 W683	V541-R560 HydrophobicContact CG1-CG 4.06Å; L556-R560 WeakPolarHBondContact O-CG 3.46Å; L556-R560 PolarHBondContact O-N 3.46Å; M557-R560 PolarHBondContact O-N 3.04Å; E558-R560 PolarHBondContact O-N 3.39Å; R560-R562 VanDerWaalsContact C-N 3.29Å; R560-R562 PolarHBondContact O-N 3.49Å; R560-L563 PolarHBondContact O-N 3.5Å; R560-F564 PolarHBondContact O-N 2.82Å; R560-L680 PolarHBondContact NE-O 3.42Å; R560-L680 PolarHBondContact NH2-O 3.26Å; R560-M681 WeakPolarHBondContact CG-O 3.46Å; R560-W683 HydrophobicContact CB-CB 4.2Å
561	H	88.1	Confident	86.4	Confident	58 Å²	58	58.1 Å²	58.1	27%	0.269	27%	0.274	S	S	.	.	H	α-helix	trans	-63.4	-43.2	177.9	-175.3	-112.6	0	0	0	110.9	M557 E558 S559 L563 F564 F565 W683	M557-H561 WeakPolarHBondContact O-CB 3.42Å; M557-H561 PolarHBondContact O-N 3.08Å; E558-H561 WeakPolarHBondContact O-CB 3.36Å; E558-H561 PolarHBondContact O-N 3.45Å; S559-H561 PolarHBondContact O-N 3.23Å; H561-L563 PolarHBondContact O-N 3.25Å; H561-F564 WeakPolarHBondContact O-CB 3.34Å; H561-F564 PolarHBondContact O-N 3.33Å; H561-F565 AromaticContact CD2-CD2 3.8Å; H561-F565 AromaticContact CD2-CE2 3.28Å; H561-F565 WeakPolarHBondContact CD2-CE2 3.43Å; H561-F565 AromaticContact CE1-CD2 3.03Å; H561-F565 WeakPolarHBondContact CE1-CD2 2.86Å; H561-F565 AromaticContact CE1-CE2 2.2Å; H561-F565 WeakPolarHBondContact CE1-CE2 3.22Å; H561-F565 AromaticContact CE1-CZ 3.17Å; H561-F565 WeakPolarHBondContact CE1-CZ 3.31Å; H561-F565 AromaticContact CG-CD2 3.81Å; H561-F565 AromaticContact CG-CE2 3.62Å; H561-F565 AromaticContact ND1-CD2 3.35Å; H561-F565 WeakPolarHBondContact ND1-CD2 3.45Å; H561-F565 AromaticContact ND1-CE2 3.07Å; H561-F565 WeakPolarHBondContact ND1-CE2 3.42Å; H561-F565 AromaticContact NE2-CD2 3.3Å; H561-F565 VanDerWaalsContact NE2-CD2 3.3Å; H561-F565 WeakPolarHBondContact NE2-CD2 3.26Å; H561-F565 AromaticContact NE2-CE2 2.34Å; H561-F565 WeakPolarHBondContact NE2-CE2 2.35Å; H561-F565 AromaticContact NE2-CZ 3.24Å; H561-F565 WeakPolarHBondContact NE2-CZ 2.76Å; H561-F565 WeakPolarHBondContact O-CD2 3.42Å; H561-F565 PolarHBondContact O-N 3.37Å; H561-W683 WeakPolarHBondContact CA-O 3.37Å
562	R	90.4	Very high	86.9	Confident	148 Å²	148	59.8 Å²	59.8	56%	0.558	28%	0.278	S	S	*	.	H	α-helix	trans	-65.5	-40.4	-179.4	-69.9	-169.1	176.9	-158.9	1.7	111.1	L537 E558 S559 R560 F565 S566	L537-R562 HydrophobicContact CD1-CB 4.19Å; L537-R562 HydrophobicContact CD2-CB 4.17Å; E558-R562 VanDerWaalsContact O-CG 3.23Å; E558-R562 WeakPolarHBondContact O-CG 3.3Å; E558-R562 PolarHBondContact O-N 3.07Å; E558-R562 IonicContact OE1-NE 3.27Å; S559-R562 PolarHBondContact O-N 2.79Å; R560-R562 VanDerWaalsContact C-N 3.29Å; R560-R562 PolarHBondContact O-N 3.49Å; R562-F565 PolarHBondContact O-N 3.4Å; R562-S566 WeakPolarHBondContact O-CB 3.47Å; R562-S566 PolarHBondContact O-N 3.32Å
563	L	89	Confident	87.2	Confident	6 Å²	6	55.9 Å²	55.9	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-60.7	-43	177.3	177.6	62.6	0	0	0	110.7	K534 L537 V541 S559 R560 H561 F565 S566 R567 E682	K534-L563 HydrophobicContact CG-CD1 4.27Å; L537-L563 HydrophobicContact CB-CB 4.42Å; L537-L563 HydrophobicContact CB-CD1 3.92Å; V541-L563 HydrophobicContact CB-CD2 4.41Å; V541-L563 HydrophobicContact CG2-CB 4.19Å; V541-L563 HydrophobicContact CG2-CD2 4.09Å; S559-L563 WeakPolarHBondContact O-CB 3.44Å; S559-L563 PolarHBondContact O-N 3.39Å; R560-L563 PolarHBondContact O-N 3.5Å; H561-L563 PolarHBondContact O-N 3.25Å; L563-F565 VanDerWaalsContact C-N 3.28Å; L563-F565 PolarHBondContact O-N 3.48Å; L563-S566 PolarHBondContact O-N 3.49Å; L563-R567 WeakPolarHBondContact O-CG 3.34Å; L563-R567 PolarHBondContact O-N 3.23Å; L563-R567 VanDerWaalsContact O-N 3.13Å; L563-E682 HydrophobicContact CD2-CB 4.16Å
564	F	88	Confident	87.3	Confident	38 Å²	38	51.6 Å²	51.6	17%	0.167	24%	0.235	C	C	.	.	H	α-helix	trans	-58	-45.3	177.1	170.1	-101.8	0	0	0	110.4	R560 H561 S566 R567 V568 P684 F686	R560-F564 PolarHBondContact O-N 2.82Å; H561-F564 WeakPolarHBondContact O-CB 3.34Å; H561-F564 PolarHBondContact O-N 3.33Å; F564-S566 PolarHBondContact O-N 3.06Å; F564-R567 PolarHBondContact O-N 3Å; F564-V568 HydrophobicContact CD1-CG2 4.28Å; F564-V568 HydrophobicContact CD2-CG2 4.17Å; F564-V568 HydrophobicContact CE1-CG2 3.85Å; F564-V568 HydrophobicContact CE2-CG2 3.73Å; F564-V568 HydrophobicContact CG-CG2 4.43Å; F564-V568 HydrophobicContact CZ-CG2 3.55Å; F564-V568 WeakPolarHBondContact O-CG2 3.45Å; F564-V568 PolarHBondContact O-N 3.32Å; F564-P684 HydrophobicContact CD1-CG 3.9Å; F564-P684 HydrophobicContact CD2-CG 4.23Å; F564-P684 WeakPolarHBondContact CD2-O 3.37Å; F564-P684 HydrophobicContact CE1-CG 3.67Å; F564-P684 HydrophobicContact CE2-CB 4.47Å; F564-P684 HydrophobicContact CE2-CG 4Å; F564-P684 HydrophobicContact CG-CG 4.17Å; F564-P684 HydrophobicContact CZ-CG 3.73Å; F564-F686 HydrophobicContact CD2-CD2 4.35Å; F564-F686 HydrophobicContact CE2-CD2 4.37Å
565	F	89.3	Confident	87.3	Confident	110 Å²	110	46.5 Å²	46.5	48%	0.482	21%	0.208	S	C	.	.	H	α-helix	trans	-61.3	-45.9	-179.2	-90.5	-82.2	0	0	0	111.1	H561 R562 L563 R567 V568 R569	H561-F565 AromaticContact CD2-CD2 3.8Å; H561-F565 AromaticContact CD2-CE2 3.28Å; H561-F565 WeakPolarHBondContact CD2-CE2 3.43Å; H561-F565 AromaticContact CE1-CD2 3.03Å; H561-F565 WeakPolarHBondContact CE1-CD2 2.86Å; H561-F565 AromaticContact CE1-CE2 2.2Å; H561-F565 WeakPolarHBondContact CE1-CE2 3.22Å; H561-F565 AromaticContact CE1-CZ 3.17Å; H561-F565 WeakPolarHBondContact CE1-CZ 3.31Å; H561-F565 AromaticContact CG-CD2 3.81Å; H561-F565 AromaticContact CG-CE2 3.62Å; H561-F565 AromaticContact ND1-CD2 3.35Å; H561-F565 WeakPolarHBondContact ND1-CD2 3.45Å; H561-F565 AromaticContact ND1-CE2 3.07Å; H561-F565 WeakPolarHBondContact ND1-CE2 3.42Å; H561-F565 AromaticContact NE2-CD2 3.3Å; H561-F565 VanDerWaalsContact NE2-CD2 3.3Å; H561-F565 WeakPolarHBondContact NE2-CD2 3.26Å; H561-F565 AromaticContact NE2-CE2 2.34Å; H561-F565 WeakPolarHBondContact NE2-CE2 2.35Å; H561-F565 AromaticContact NE2-CZ 3.24Å; H561-F565 WeakPolarHBondContact NE2-CZ 2.76Å; H561-F565 WeakPolarHBondContact O-CD2 3.42Å; H561-F565 PolarHBondContact O-N 3.37Å; R562-F565 PolarHBondContact O-N 3.4Å; L563-F565 VanDerWaalsContact C-N 3.28Å; L563-F565 PolarHBondContact O-N 3.48Å; F565-R567 PolarHBondContact O-N 3.15Å; F565-V568 PolarHBondContact O-N 2.86Å; F565-R569 VanDerWaalsContact O-CB 3.24Å; F565-R569 WeakPolarHBondContact O-CB 3.36Å; F565-R569 PolarHBondContact O-N 3.07Å
566	S	89.4	Confident	87.3	Confident	5 Å²	5	43.5 Å²	43.5	4%	0.035	19%	0.189	C	C	.	.	H	α-helix	trans	-60	-38.3	-179.4	179	0	0	0	0	111.5	E530 T533 R562 L563 F564 R569 L570	E530-S566 WeakPolarHBondContact OE1-CA 3.5Å; E530-S566 WeakPolarHBondContact OE1-CB 3.44Å; E530-S566 PolarHBondContact OE1-OG 2.07Å; T533-S566 PolarHBondContact OG1-OG 3.47Å; R562-S566 WeakPolarHBondContact O-CB 3.47Å; R562-S566 PolarHBondContact O-N 3.32Å; L563-S566 PolarHBondContact O-N 3.49Å; F564-S566 PolarHBondContact O-N 3.06Å; S566-R569 PolarHBondContact O-N 3.21Å; S566-L570 WeakPolarHBondContact O-CB 3.47Å; S566-L570 PolarHBondContact O-N 3.34Å
567	R	88.1	Confident	87.3	Confident	41 Å²	41	43 Å²	43	16%	0.155	19%	0.186	C	C	.	.	H	α-helix	trans	-71.7	-46.1	-178.2	-74.6	-177	71.9	160.1	1	110.4	K534 L563 F564 F565 R569 L570 T571 E682 F686 E694	K534-R567 HydrophobicContact CD-CG 4.27Å; K534-R567 HydrophobicContact CG-CG 4.2Å; L563-R567 WeakPolarHBondContact O-CG 3.34Å; L563-R567 PolarHBondContact O-N 3.23Å; L563-R567 VanDerWaalsContact O-N 3.13Å; F564-R567 PolarHBondContact O-N 3Å; F565-R567 PolarHBondContact O-N 3.15Å; R567-R569 PolarHBondContact O-N 3.18Å; R567-L570 WeakPolarHBondContact O-CB 3.24Å; R567-L570 PolarHBondContact O-N 2.78Å; R567-T571 PolarHBondContact O-N 2.94Å; R567-T571 PolarHBondContact O-OG1 1.98Å; R567-E682 WeakPolarHBondContact CD-OE2 3.27Å; R567-E682 IonicContact CZ-OE1 2.19Å; R567-E682 IonicContact NE-OE2 3.71Å; R567-E682 IonicContact NH1-OE1 3.52Å; R567-E682 PolarHBondContact NH1-OE1 2.49Å; R567-E682 IonicContact NH1-OE2 3.71Å; R567-E682 PolarHBondContact NH1-OE2 2.53Å; R567-F686 HydrophobicContact CB-CD2 3.84Å; R567-F686 HydrophobicContact CB-CE2 3.67Å; R567-F686 HydrophobicContact CB-CZ 4.36Å; R567-E694 WeakPolarHBondContact CB-OE1 3.32Å; R567-E694 WeakPolarHBondContact CG-OE1 3.49Å; R567-E694 IonicContact CZ-OE1 3.73Å; R567-E694 IonicContact CZ-OE2 2.83Å; R567-E694 IonicContact NE-OE1 3.46Å; R567-E694 PolarHBondContact NE-OE1 2.93Å; R567-E694 IonicContact NE-OE2 3.87Å; R567-E694 IonicContact NH2-OE1 3.16Å; R567-E694 PolarHBondContact NH2-OE1 2.96Å; R567-E694 IonicContact NH2-OE2 3.99Å; R567-E694 PolarHBondContact NH2-OE2 3.42Å
568	V	86	Confident	87.1	Confident	40 Å²	40	40.6 Å²	40.6	24%	0.242	17%	0.174	C	C	.	.	H	α-helix	trans	-59	-44.9	178	171.4	0	0	0	0	109.5	F564 F565 L570 T571 Y572 F686	F564-V568 HydrophobicContact CD1-CG2 4.28Å; F564-V568 HydrophobicContact CD2-CG2 4.17Å; F564-V568 HydrophobicContact CE1-CG2 3.85Å; F564-V568 HydrophobicContact CE2-CG2 3.73Å; F564-V568 HydrophobicContact CG-CG2 4.43Å; F564-V568 HydrophobicContact CZ-CG2 3.55Å; F564-V568 WeakPolarHBondContact O-CG2 3.45Å; F564-V568 PolarHBondContact O-N 3.32Å; F565-V568 PolarHBondContact O-N 2.86Å; V568-L570 PolarHBondContact O-N 3.42Å; V568-T571 PolarHBondContact O-N 3.03Å; V568-Y572 WeakPolarHBondContact O-CB 2.87Å; V568-Y572 PolarHBondContact O-N 3.43Å; V568-F686 HydrophobicContact CG2-CD2 4.08Å; V568-F686 HydrophobicContact CG2-CE2 3.87Å
569	R	89.3	Confident	86.8	Confident	147 Å²	147	36.6 Å²	36.6	56%	0.555	16%	0.156	S	C	*	.	H	α-helix	trans	-59.6	-44.9	177.7	-171.8	170.5	-178.6	172.9	-1.8	111.5	E530 F565 S566 R567 T571 Y572 L573	E530-R569 IonicContact OE2-NE 3.32Å; F565-R569 VanDerWaalsContact O-CB 3.24Å; F565-R569 WeakPolarHBondContact O-CB 3.36Å; F565-R569 PolarHBondContact O-N 3.07Å; S566-R569 PolarHBondContact O-N 3.21Å; R567-R569 PolarHBondContact O-N 3.18Å; R569-T571 VanDerWaalsContact C-N 3.3Å; R569-T571 PolarHBondContact O-N 3.39Å; R569-Y572 WeakPolarHBondContact O-CB 3.48Å; R569-Y572 PolarHBondContact O-N 3.21Å; R569-L573 HydrophobicContact CG-CD1 4.24Å; R569-L573 HydrophobicContact CG-CG 4.4Å; R569-L573 WeakPolarHBondContact O-CG 2.58Å; R569-L573 PolarHBondContact O-N 2.87Å
570	L	87.8	Confident	86.6	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-59.6	-47.2	178.9	179.7	59	0	0	0	110.8	I527 E530 R531 K534 S566 R567 V568 Y572 L573 L574 E694	I527-L570 HydrophobicContact CG2-CD1 4.01Å; E530-L570 HydrophobicContact CB-CD1 4.23Å; E530-L570 HydrophobicContact CG-CB 3.97Å; E530-L570 HydrophobicContact CG-CD1 4.36Å; R531-L570 HydrophobicContact CG-CD1 4.02Å; R531-L570 HydrophobicContact CG-CD2 4.27Å; K534-L570 HydrophobicContact CD-CD2 4.02Å; S566-L570 WeakPolarHBondContact O-CB 3.47Å; S566-L570 PolarHBondContact O-N 3.34Å; R567-L570 WeakPolarHBondContact O-CB 3.24Å; R567-L570 PolarHBondContact O-N 2.78Å; V568-L570 PolarHBondContact O-N 3.42Å; L570-Y572 VanDerWaalsContact C-N 3.26Å; L570-Y572 PolarHBondContact O-N 2.88Å; L570-L573 PolarHBondContact O-N 3.48Å; L570-L574 HydrophobicContact CD1-CD1 4.43Å; L570-L574 HydrophobicContact CD1-CG 4.39Å; L570-L574 HydrophobicContact CG-CD1 4.17Å; L570-L574 WeakPolarHBondContact O-CG 3.48Å; L570-L574 PolarHBondContact O-N 3.33Å; L570-E694 HydrophobicContact CD2-CG 4.39Å
571	T	84.3	Confident	86.3	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.1	-44.1	179	-56.9	0	0	0	0	110	R567 V568 R569 L573 L574 L575 F686 D690	R567-T571 PolarHBondContact O-N 2.94Å; R567-T571 PolarHBondContact O-OG1 1.98Å; V568-T571 PolarHBondContact O-N 3.03Å; R569-T571 VanDerWaalsContact C-N 3.3Å; R569-T571 PolarHBondContact O-N 3.39Å; T571-L573 VanDerWaalsContact C-N 3.29Å; T571-L573 PolarHBondContact O-N 3.46Å; T571-L574 PolarHBondContact O-N 3.28Å; T571-L575 HydrophobicContact CG2-CD1 3.96Å; T571-L575 HydrophobicContact CG2-CG 4.42Å; T571-L575 WeakPolarHBondContact O-CB 3.12Å; T571-L575 VanDerWaalsContact O-CG 3.26Å; T571-L575 WeakPolarHBondContact O-CG 3.49Å; T571-L575 PolarHBondContact O-N 2.83Å; T571-F686 VanDerWaalsContact OG1-CZ 3.32Å; T571-F686 WeakPolarHBondContact OG1-CZ 3.37Å; T571-D690 HydrophobicContact CG2-CB 4.16Å
572	Y	87.8	Confident	85.8	Confident	64 Å²	64	34.4 Å²	34.4	25%	0.251	15%	0.147	S	C	.	.	H	α-helix	trans	-56.9	-47.1	177	171.4	-107.2	0	0	0	111.4	Q419 R420 L421 I422 V568 R569 L570 L574 L575 C576	Q419-Y572 HydrophobicContact CG-CD2 4.45Å; R420-Y572 WeakPolarHBondContact O-CE2 2.91Å; L421-Y572 HydrophobicContact CD2-CD2 3.95Å; L421-Y572 HydrophobicContact CD2-CE2 3.94Å; I422-Y572 WeakPolarHBondContact CG1-OH 3.42Å; V568-Y572 WeakPolarHBondContact O-CB 2.87Å; V568-Y572 PolarHBondContact O-N 3.43Å; R569-Y572 WeakPolarHBondContact O-CB 3.48Å; R569-Y572 PolarHBondContact O-N 3.21Å; L570-Y572 VanDerWaalsContact C-N 3.26Å; L570-Y572 PolarHBondContact O-N 2.88Å; Y572-L574 VanDerWaalsContact C-N 3.3Å; Y572-L574 PolarHBondContact O-N 3.36Å; Y572-L575 PolarHBondContact O-N 3.47Å; Y572-C576 WeakPolarHBondContact O-CB 3.31Å; Y572-C576 PolarHBondContact O-N 3.14Å; Y572-C576 PolarHBondContact O-SG 3.46Å
573	L	89.1	Confident	85.2	Confident	12 Å²	12	27.7 Å²	27.7	6%	0.063	12%	0.122	C	C	.	.	H	α-helix	trans	-64.8	-39.8	-178	-68.7	175.5	0	0	0	111	L523 D526 I527 E530 R569 L570 T571 L575 C576 R577	L523-L573 HydrophobicContact CD2-CD2 3.75Å; D526-L573 HydrophobicContact CB-CD1 4.06Å; I527-L573 HydrophobicContact CG1-CB 3.76Å; I527-L573 HydrophobicContact CG1-CD1 4.47Å; E530-L573 HydrophobicContact CB-CD1 4.28Å; R569-L573 HydrophobicContact CG-CD1 4.24Å; R569-L573 HydrophobicContact CG-CG 4.4Å; R569-L573 WeakPolarHBondContact O-CG 2.58Å; R569-L573 PolarHBondContact O-N 2.87Å; L570-L573 PolarHBondContact O-N 3.48Å; T571-L573 VanDerWaalsContact C-N 3.29Å; T571-L573 PolarHBondContact O-N 3.46Å; L573-L575 VanDerWaalsContact C-N 3.26Å; L573-L575 PolarHBondContact O-N 2.92Å; L573-C576 PolarHBondContact O-N 2.74Å; L573-R577 WeakPolarHBondContact O-CB 3.49Å; L573-R577 PolarHBondContact O-N 3.38Å
574	L	85.9	Confident	84.8	Confident	10 Å²	10	27.4 Å²	27.4	5%	0.052	12%	0.121	C	C	.	.	H	α-helix	trans	-66.7	-38.9	-179.6	-75.5	173.1	0	0	0	110.5	I527 L570 T571 Y572 C576 R577 Q578 Y693	I527-L574 HydrophobicContact CD1-CD2 3.77Å; I527-L574 HydrophobicContact CG1-CD2 4.42Å; I527-L574 HydrophobicContact CG2-CD2 4.01Å; L570-L574 HydrophobicContact CD1-CD1 4.43Å; L570-L574 HydrophobicContact CD1-CG 4.39Å; L570-L574 HydrophobicContact CG-CD1 4.17Å; L570-L574 WeakPolarHBondContact O-CG 3.48Å; L570-L574 PolarHBondContact O-N 3.33Å; T571-L574 PolarHBondContact O-N 3.28Å; Y572-L574 VanDerWaalsContact C-N 3.3Å; Y572-L574 PolarHBondContact O-N 3.36Å; L574-C576 VanDerWaalsContact C-N 3.3Å; L574-R577 WeakPolarHBondContact O-CB 3.37Å; L574-R577 PolarHBondContact O-N 3.46Å; L574-Q578 PolarHBondContact O-N 3.16Å; L574-Y693 WeakPolarHBondContact CD1-O 3.4Å
575	L	83.7	Confident	84.2	Confident	3 Å²	3	31.7 Å²	31.7	2%	0.016	14%	0.139	C	C	.	.	H	α-helix	trans	-69.6	-40.3	179.7	-73.6	169.4	0	0	0	110.4	L421 T571 Y572 L573 R577 Q578 K579 L623 A626 F628 Y693	L421-L575 HydrophobicContact CD2-CB 4.02Å; T571-L575 HydrophobicContact CG2-CD1 3.96Å; T571-L575 HydrophobicContact CG2-CG 4.42Å; T571-L575 WeakPolarHBondContact O-CB 3.12Å; T571-L575 VanDerWaalsContact O-CG 3.26Å; T571-L575 WeakPolarHBondContact O-CG 3.49Å; T571-L575 PolarHBondContact O-N 2.83Å; Y572-L575 PolarHBondContact O-N 3.47Å; L573-L575 VanDerWaalsContact C-N 3.26Å; L573-L575 PolarHBondContact O-N 2.92Å; L575-R577 PolarHBondContact O-N 3.41Å; L575-Q578 PolarHBondContact O-N 3.13Å; L575-K579 WeakPolarHBondContact O-CB 3.42Å; L575-K579 PolarHBondContact O-N 2.68Å; L575-L623 HydrophobicContact CB-CD2 4.36Å; L575-L623 HydrophobicContact CD2-CD2 3.93Å; L575-A626 HydrophobicContact CD1-CB 4.46Å; L575-A626 HydrophobicContact CD2-CB 3.68Å; L575-F628 HydrophobicContact CB-CE2 4.28Å; L575-F628 HydrophobicContact CD1-CD2 4.22Å; L575-F628 HydrophobicContact CD1-CE2 3.06Å; L575-F628 HydrophobicContact CD1-CZ 3.52Å; L575-F628 HydrophobicContact CD2-CE2 4.04Å; L575-F628 HydrophobicContact CG-CE2 3.98Å; L575-Y693 HydrophobicContact CD2-CD1 4.17Å; L575-Y693 HydrophobicContact CD2-CE1 4.49Å
576	C	85.9	Confident	83.4	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-57.9	-40.6	174.5	-73.5	0	0	0	0	111.4	I422 L523 Y572 L573 L574 Q578 K579 L580	I422-C576 HydrophobicContact CD1-CB 3.87Å; I422-C576 HydrophobicContact CG1-CB 4.29Å; I422-C576 VanDerWaalsContact CG1-SG 3.55Å; L523-C576 HydrophobicContact CD1-CB 4.17Å; L523-C576 HydrophobicContact CD2-CB 4.46Å; Y572-C576 WeakPolarHBondContact O-CB 3.31Å; Y572-C576 PolarHBondContact O-N 3.14Å; Y572-C576 PolarHBondContact O-SG 3.46Å; L573-C576 PolarHBondContact O-N 2.74Å; L574-C576 VanDerWaalsContact C-N 3.3Å; C576-Q578 VanDerWaalsContact C-N 3.29Å; C576-Q578 PolarHBondContact O-N 3.4Å; C576-K579 PolarHBondContact O-N 3.36Å; C576-L580 VanDerWaalsContact O-CG 3.29Å; C576-L580 WeakPolarHBondContact O-CG 3.26Å; C576-L580 PolarHBondContact O-N 3.31Å
577	R	85.4	Confident	82.4	Confident	4 Å²	4	28.2 Å²	28.2	2%	0.015	12%	0.124	C	C	.	.	H	α-helix	trans	-65.3	-43.3	179.7	-175.7	176.8	165.7	145.8	0.7	111	L520 L523 M524 I527 L573 L574 L575 K579 L580 T581	L520-R577 HydrophobicContact CD2-CG 3.79Å; L523-R577 HydrophobicContact CD1-CB 4.24Å; M524-R577 VanDerWaalsContact CE-CZ 3.47Å; M524-R577 PolarHBondContact SD-NE 3.42Å; M524-R577 CovalentContact SD-NH1 0.93Å; M524-R577 PolarHBondContact SD-NH1 2.77Å; M524-R577 PolarHBondContact SD-NH2 3.43Å; I527-R577 HydrophobicContact CD1-CB 4.15Å; I527-R577 HydrophobicContact CD1-CG 4.48Å; L573-R577 WeakPolarHBondContact O-CB 3.49Å; L573-R577 PolarHBondContact O-N 3.38Å; L574-R577 WeakPolarHBondContact O-CB 3.37Å; L574-R577 PolarHBondContact O-N 3.46Å; L575-R577 PolarHBondContact O-N 3.41Å; R577-K579 PolarHBondContact O-N 2.66Å; R577-L580 PolarHBondContact O-N 3.44Å; R577-T581 WeakPolarHBondContact O-CB 3.49Å; R577-T581 PolarHBondContact O-N 2.55Å; R577-T581 PolarHBondContact O-OG1 3.29Å
578	Q	80.1	Confident	81.5	Confident	22 Å²	22	27.2 Å²	27.2	10%	0.103	12%	0.121	C	C	.	.	H	α-helix	trans	-61.6	-43.6	178.9	-176.8	64.7	17.6	0	0	110.7	L574 L575 C576 L580 T581 H582 S620 S622 L623	L574-Q578 PolarHBondContact O-N 3.16Å; L575-Q578 PolarHBondContact O-N 3.13Å; C576-Q578 VanDerWaalsContact C-N 3.29Å; C576-Q578 PolarHBondContact O-N 3.4Å; Q578-L580 PolarHBondContact O-N 2.95Å; Q578-T581 PolarHBondContact O-N 3.36Å; Q578-H582 WeakPolarHBondContact O-CB 3.3Å; Q578-H582 PolarHBondContact O-N 3.36Å; Q578-S620 WeakPolarHBondContact CG-OG 3.21Å; Q578-S622 WeakPolarHBondContact CG-OG 3.45Å; Q578-S622 PolarHBondContact NE2-OG 3.42Å; Q578-L623 HydrophobicContact CG-CG 4.47Å
579	K	81.9	Confident	80.6	Confident	9 Å²	9	28.7 Å²	28.7	4%	0.039	13%	0.133	C	C	.	.	H	α-helix	trans	-60.1	-45.2	179.1	179	-164.7	169.9	-173.5	0	110.7	L421 I422 D423 L575 C576 R577 T581 H582 S583 L623 T661	L421-K579 HydrophobicContact CB-CD 4.03Å; L421-K579 HydrophobicContact CD1-CB 4.35Å; L421-K579 HydrophobicContact CD1-CD 4.16Å; I422-K579 VanDerWaalsContact C-NZ 3.34Å; I422-K579 WeakPolarHBondContact O-CE 3.17Å; I422-K579 PolarHBondContact O-NZ 3.08Å; D423-K579 VanDerWaalsContact CG-NZ 3.32Å; D423-K579 WeakPolarHBondContact OD1-CE 3.2Å; D423-K579 IonicContact OD1-NZ 3.42Å; D423-K579 PolarHBondContact OD1-NZ 2.5Å; L575-K579 WeakPolarHBondContact O-CB 3.42Å; L575-K579 PolarHBondContact O-N 2.68Å; C576-K579 PolarHBondContact O-N 3.36Å; R577-K579 PolarHBondContact O-N 2.66Å; K579-T581 VanDerWaalsContact C-N 3.33Å; K579-H582 PolarHBondContact O-N 2.96Å; K579-S583 WeakPolarHBondContact O-CB 3.03Å; K579-S583 PolarHBondContact O-N 3.42Å; K579-S583 PolarHBondContact O-OG 2.91Å; K579-L623 HydrophobicContact CB-CD1 3.77Å; K579-L623 HydrophobicContact CG-CD1 4.12Å; K579-T661 HydrophobicContact CD-CG2 4.4Å; K579-T661 PolarHBondContact NZ-OG1 2.49Å
580	L	82.6	Confident	79.3	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-68.7	-37.5	-177.2	-72.4	177.2	0	0	0	111.4	L424 I516 L519 L520 L523 C576 R577 Q578 H582 S583 L584	L424-L580 HydrophobicContact CD1-CD2 3.21Å; I516-L580 HydrophobicContact CG2-CB 4.22Å; L519-L580 HydrophobicContact CB-CD1 4.07Å; L519-L580 HydrophobicContact CD2-CD1 3.06Å; L519-L580 HydrophobicContact CD2-CD2 4.07Å; L519-L580 HydrophobicContact CD2-CG 4.16Å; L519-L580 HydrophobicContact CG-CD1 3.48Å; L519-L580 VanDerWaalsContact CG-CD1 3.48Å; L520-L580 HydrophobicContact CD2-CB 3.71Å; L520-L580 HydrophobicContact CD2-CD1 4.31Å; L520-L580 HydrophobicContact CG-CB 4.25Å; L523-L580 HydrophobicContact CD1-CD1 3.38Å; C576-L580 VanDerWaalsContact O-CG 3.29Å; C576-L580 WeakPolarHBondContact O-CG 3.26Å; C576-L580 PolarHBondContact O-N 3.31Å; R577-L580 PolarHBondContact O-N 3.44Å; Q578-L580 PolarHBondContact O-N 2.95Å; L580-H582 VanDerWaalsContact C-N 3.25Å; L580-H582 PolarHBondContact O-N 2.85Å; L580-S583 PolarHBondContact O-N 3.41Å; L580-L584 VanDerWaalsContact O-CB 3.28Å; L580-L584 WeakPolarHBondContact O-CB 2.98Å; L580-L584 PolarHBondContact O-N 3.44Å
581	T	80.6	Confident	77.7	Confident	11 Å²	11	23.2 Å²	23.2	7%	0.067	12%	0.118	C	C	.	.	H	α-helix	trans	-63.6	-41.1	178.3	-58.6	0	0	0	0	110	R577 Q578 K579 S583 L584 K585 F701 I705	R577-T581 WeakPolarHBondContact O-CB 3.49Å; R577-T581 PolarHBondContact O-N 2.55Å; R577-T581 PolarHBondContact O-OG1 3.29Å; Q578-T581 PolarHBondContact O-N 3.36Å; K579-T581 VanDerWaalsContact C-N 3.33Å; T581-S583 VanDerWaalsContact C-N 3.35Å; T581-L584 PolarHBondContact O-N 2.89Å; T581-K585 WeakPolarHBondContact O-CB 2.55Å; T581-K585 PolarHBondContact O-N 3.27Å; T581-F701 HydrophobicContact CG2-CB 4.03Å; T581-F701 HydrophobicContact CG2-CD1 3.76Å; T581-F701 HydrophobicContact CG2-CG 4.18Å; T581-I705 HydrophobicContact CG2-CD1 4.28Å; T581-I705 HydrophobicContact CG2-CG1 4.19Å
582	H	78.2	Confident	76.1	Confident	51 Å²	51	27.7 Å²	27.7	24%	0.236	14%	0.137	C	C	.	.	H	α-helix	trans	-66.9	-45.9	178.1	-175	-92.8	0	0	0	110.3	Q578 K579 L580 L584 K585 Q586 E618	Q578-H582 WeakPolarHBondContact O-CB 3.3Å; Q578-H582 PolarHBondContact O-N 3.36Å; K579-H582 PolarHBondContact O-N 2.96Å; L580-H582 VanDerWaalsContact C-N 3.25Å; L580-H582 PolarHBondContact O-N 2.85Å; H582-L584 PolarHBondContact O-N 3.35Å; H582-K585 PolarHBondContact O-N 3.49Å; H582-Q586 WeakPolarHBondContact O-CB 1.69Å; H582-Q586 PolarHBondContact O-N 3.29Å; H582-E618 PolarHBondContact CE1-O 2.74Å; H582-E618 PolarHBondContact NE2-O 3.32Å
583	S	77.7	Confident	74	Confident	6 Å²	6	31.4 Å²	31.4	4%	0.042	16%	0.157	C	C	.	.	H	α-helix	trans	-57.3	-40.2	177	-67.2	0	0	0	0	111.8	E427 K579 L580 T581 K585 Q586 I587	E427-S583 WeakPolarHBondContact OE1-CB 2.24Å; E427-S583 PolarHBondContact OE1-OG 3.3Å; K579-S583 WeakPolarHBondContact O-CB 3.03Å; K579-S583 PolarHBondContact O-N 3.42Å; K579-S583 PolarHBondContact O-OG 2.91Å; L580-S583 PolarHBondContact O-N 3.41Å; T581-S583 VanDerWaalsContact C-N 3.35Å; S583-K585 VanDerWaalsContact C-N 3.34Å; S583-Q586 PolarHBondContact O-N 3.11Å; S583-I587 WeakPolarHBondContact O-CB 2.59Å; S583-I587 WeakPolarHBondContact O-CG1 2.6Å; S583-I587 PolarHBondContact O-N 3.19Å
584	L	79.4	Confident	71.7	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-64.7	-44.2	179.1	-179.1	61	0	0	0	110.9	K513 I516 L517 L520 L580 T581 H582 Q586 I587 H588 I708	K513-L584 HydrophobicContact CB-CD1 4.24Å; K513-L584 HydrophobicContact CG-CD1 4Å; I516-L584 HydrophobicContact CB-CD1 4.41Å; I516-L584 HydrophobicContact CD1-CD1 4.47Å; I516-L584 HydrophobicContact CG2-CB 3.89Å; I516-L584 HydrophobicContact CG2-CD1 4.2Å; I516-L584 HydrophobicContact CG2-CD2 4.31Å; I516-L584 HydrophobicContact CG2-CG 4.37Å; L517-L584 HydrophobicContact CD2-CD2 3.78Å; L517-L584 HydrophobicContact CG-CD2 4.42Å; L520-L584 HydrophobicContact CD1-CD2 3.94Å; L580-L584 VanDerWaalsContact O-CB 3.28Å; L580-L584 WeakPolarHBondContact O-CB 2.98Å; L580-L584 PolarHBondContact O-N 3.44Å; T581-L584 PolarHBondContact O-N 2.89Å; H582-L584 PolarHBondContact O-N 3.35Å; L584-Q586 PolarHBondContact O-N 2.6Å; L584-I587 PolarHBondContact O-N 2.44Å; L584-H588 VanDerWaalsContact O-CB 3.23Å; L584-H588 WeakPolarHBondContact O-CB 3.34Å; L584-H588 PolarHBondContact O-N 2.6Å; L584-I708 HydrophobicContact CD1-CG2 4.44Å; L584-I708 HydrophobicContact CD2-CD1 4.23Å; L584-I708 HydrophobicContact CD2-CG2 4.39Å; L584-I708 HydrophobicContact CG-CD1 4.11Å; L584-I708 HydrophobicContact CG-CG2 4.39Å
585	K	75.7	Confident	69.6	Low	128 Å²	128	39 Å²	39	56%	0.557	20%	0.197	S	C	*	.	H	α-helix	trans	-62	-38.6	178.8	-170.2	175.6	176.6	-179.5	0	110.5	T581 H582 S583 H588 S589	T581-K585 WeakPolarHBondContact O-CB 2.55Å; T581-K585 PolarHBondContact O-N 3.27Å; H582-K585 PolarHBondContact O-N 3.49Å; S583-K585 VanDerWaalsContact C-N 3.34Å; K585-H588 PolarHBondContact O-N 2.88Å; K585-S589 WeakPolarHBondContact O-CB 3.3Å; K585-S589 PolarHBondContact O-N 3.46Å; K585-S589 PolarHBondContact O-OG 2.99Å
586	Q	71.7	Confident	67.4	Low	40 Å²	40	43.4 Å²	43.4	19%	0.187	22%	0.217	C	C	.	.	H	α-helix	trans	-69.7	-44.7	-178.7	-165.8	171.1	3.7	0	0	110.4	L431 H582 S583 L584 S589 S590	L431-Q586 HydrophobicContact CD2-CB 3.87Å; L431-Q586 HydrophobicContact CD2-CG 3.45Å; L431-Q586 VanDerWaalsContact CD2-CG 3.45Å; H582-Q586 WeakPolarHBondContact O-CB 1.69Å; H582-Q586 PolarHBondContact O-N 3.29Å; S583-Q586 PolarHBondContact O-N 3.11Å; L584-Q586 PolarHBondContact O-N 2.6Å; Q586-S589 PolarHBondContact O-N 3.32Å; Q586-S590 WeakPolarHBondContact O-CB 3.45Å; Q586-S590 PolarHBondContact O-N 3.35Å; Q586-S590 PolarHBondContact O-OG 2.9Å
587	I	69.5	Low	65.2	Low	1 Å²	1	46.6 Å²	46.6	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-64.7	0	-180	-68.7	172.7	0	0	0	110.1	L430 H509 T512 K513 I516 S583 L584 S590 S591	L430-I587 HydrophobicContact CD1-CD1 4.46Å; H509-I587 VanDerWaalsContact ND1-CG2 3.3Å; H509-I587 WeakPolarHBondContact ND1-CG2 3.46Å; T512-I587 HydrophobicContact CG2-CD1 4Å; K513-I587 HydrophobicContact CG-CG2 4.09Å; I516-I587 HydrophobicContact CD1-CD1 3.8Å; S583-I587 WeakPolarHBondContact O-CB 2.59Å; S583-I587 WeakPolarHBondContact O-CG1 2.6Å; S583-I587 PolarHBondContact O-N 3.19Å; L584-I587 PolarHBondContact O-N 2.44Å; I587-S590 WeakPolarHBondContact CA-OG 3.48Å; I587-S590 PolarHBondContact O-N 3.26Å; I587-S590 PolarHBondContact O-OG 3.49Å; I587-S591 PolarHBondContact O-N 3.45Å
588	H	69	Low	62.7	Low	21 Å²	21	52.2 Å²	52.2	10%	0.097	27%	0.267	C	S	.	.	H	α-helix		0	-41.1	0	-171.6	-91.9	0	0	0	110.7	L584 K585 S590 S591 F592 I708 Q711	L584-H588 VanDerWaalsContact O-CB 3.23Å; L584-H588 WeakPolarHBondContact O-CB 3.34Å; L584-H588 PolarHBondContact O-N 2.6Å; K585-H588 PolarHBondContact O-N 2.88Å; H588-S590 VanDerWaalsContact C-N 3.26Å; H588-S590 PolarHBondContact O-N 3.38Å; H588-S591 PolarHBondContact O-OG 2.87Å; H588-F592 AromaticContact CE1-CD2 3.73Å; H588-F592 AromaticContact CE1-CE2 3.22Å; H588-F592 WeakPolarHBondContact CE1-CE2 3.43Å; H588-F592 AromaticContact ND1-CE2 3.99Å; H588-F592 AromaticContact NE2-CE2 3.52Å; H588-I708 HydrophobicContact CB-CD1 4.31Å; H588-Q711 PolarHBondContact CE1-OE1 3.45Å; H588-Q711 PolarHBondContact NE2-OE1 3.43Å
589	S	68	Low	60.5	Low	71 Å²	71	59.6 Å²	59.6	50%	0.497	30%	0.299	S	S	.	.	H	α-helix	trans	-65.3	-32.1	177.2	-61.1	0	0	0	0	110.4	K585 Q586 F592	K585-S589 WeakPolarHBondContact O-CB 3.3Å; K585-S589 PolarHBondContact O-N 3.46Å; K585-S589 PolarHBondContact O-OG 2.99Å; Q586-S589 PolarHBondContact O-N 3.32Å; S589-F592 PolarHBondContact O-N 3.04Å
590	S	60.2	Low	58.3	Low	18 Å²	18	66.7 Å²	66.7	13%	0.126	33%	0.325	C	S	.	.	H	α-helix	trans	-70.5	-37.1	-179.8	66.6	0	0	0	0	110.9	Q586 I587 H588 F592 E593	Q586-S590 WeakPolarHBondContact O-CB 3.45Å; Q586-S590 PolarHBondContact O-N 3.35Å; Q586-S590 PolarHBondContact O-OG 2.9Å; I587-S590 WeakPolarHBondContact CA-OG 3.48Å; I587-S590 PolarHBondContact O-N 3.26Å; I587-S590 PolarHBondContact O-OG 3.49Å; H588-S590 VanDerWaalsContact C-N 3.26Å; H588-S590 PolarHBondContact O-N 3.38Å; S590-F592 PolarHBondContact O-N 3.3Å; S590-E593 PolarHBondContact O-N 3.48Å
591	S	55.7	Low	56	Low	16 Å²	16	73.1 Å²	73.1	11%	0.112	36%	0.358	C	S	.	.	H	α-helix	trans	-62	0	178	54.7	0	0	0	0	111.7	K513 I587 H588 E593 N594 I595	K513-S591 PolarHBondContact NZ-OG 3.22Å; I587-S591 PolarHBondContact O-N 3.45Å; H588-S591 PolarHBondContact O-OG 2.87Å; S591-E593 VanDerWaalsContact C-N 3.29Å; S591-E593 PolarHBondContact O-N 2.92Å; S591-N594 PolarHBondContact O-N 3.39Å; S591-I595 PolarHBondContact O-N 3.45Å
592	F	49.7	Very low	53.5	Low	93 Å²	93	81.4 Å²	81.4	41%	0.408	39%	0.394	S	S	.	.	H	α-helix		0	0	0	-93.5	-84	0	0	0	109.8	H588 S589 S590 E596	H588-F592 AromaticContact CE1-CD2 3.73Å; H588-F592 AromaticContact CE1-CE2 3.22Å; H588-F592 WeakPolarHBondContact CE1-CE2 3.43Å; H588-F592 AromaticContact ND1-CE2 3.99Å; H588-F592 AromaticContact NE2-CE2 3.52Å; S589-F592 PolarHBondContact O-N 3.04Å; S590-F592 PolarHBondContact O-N 3.3Å; F592-E596 WeakPolarHBondContact O-CB 3.4Å; F592-E596 PolarHBondContact O-N 3.11Å
593	E	45	Very low	51	Low	142 Å²	142	85 Å²	85	66%	0.664	41%	0.414	S	S	*	.	H	α-helix		0	-10	0	-89.1	-161.3	175.7	0	0	110.4	S590 S591 T597	S590-E593 PolarHBondContact O-N 3.48Å; S591-E593 VanDerWaalsContact C-N 3.29Å; S591-E593 PolarHBondContact O-N 2.92Å; E593-T597 WeakPolarHBondContact O-CB 3.34Å; E593-T597 WeakPolarHBondContact O-CG2 3.4Å; E593-T597 PolarHBondContact O-N 2.87Å; E593-T597 PolarHBondContact O-OG1 3.34Å
594	N	40.4	Very low	48.6	Very low	94 Å²	94	89.6 Å²	89.6	50%	0.503	45%	0.447	S	S	.	.	H	α-helix	trans	-98.4	-11.6	178.4	-74.8	-24	0	0	0	111.1	S591 T597	S591-N594 PolarHBondContact O-N 3.39Å; N594-T597 WeakPolarHBondContact CA-OG1 3.35Å; N594-T597 PolarHBondContact O-OG1 3.43Å; N594-T597 VanDerWaalsContact O-OG1 3.09Å
595	I	42	Very low	45.9	Very low	89 Å²	89	98 Å²	98	46%	0.456	49%	0.491	S	S	.	.	H	α-helix	trans	-103.1	-11.5	179.1	-69.6	167.7	0	0	0	108.8	S591 T597 D598	S591-I595 PolarHBondContact O-N 3.45Å; I595-T597 VanDerWaalsContact C-N 3.32Å; I595-T597 PolarHBondContact O-N 3.25Å; I595-D598 PolarHBondContact O-N 2.74Å
596	E	37.2	Very low	43.4	Very low	94 Å²	94	96.7 Å²	96.7	44%	0.439	50%	0.498	S	S	.	.	H	α-helix	trans	-98	-6.7	175.1	-136.4	171.8	-175.5	0	0	110.2	F592 D598 K599 R600	F592-E596 WeakPolarHBondContact O-CB 3.4Å; F592-E596 PolarHBondContact O-N 3.11Å; E596-D598 PolarHBondContact O-N 3.47Å; E596-K599 PolarHBondContact O-N 3.26Å; E596-R600 VanDerWaalsContact CD-CZ 3.44Å; E596-R600 WeakPolarHBondContact O-CB 3.49Å; E596-R600 PolarHBondContact O-N 3.3Å; E596-R600 IonicContact OE1-CZ 3.89Å; E596-R600 VanDerWaalsContact OE1-CZ 3.22Å; E596-R600 IonicContact OE1-NE 3.39Å; E596-R600 IonicContact OE1-NH2 3.92Å; E596-R600 PolarHBondContact OE1-NH2 2.98Å; E596-R600 IonicContact OE2-NH2 3.71Å; E596-R600 PolarHBondContact OE2-NH2 3.33Å
597	T	39.2	Very low	41.1	Very low	67 Å²	67	100 Å²	100	41%	0.411	53%	0.525	S	S	.	.	H	α-helix	trans	-92	0.4	172.9	50.1	0	0	0	0	109.7	E593 N594 I595 I601	E593-T597 WeakPolarHBondContact O-CB 3.34Å; E593-T597 WeakPolarHBondContact O-CG2 3.4Å; E593-T597 PolarHBondContact O-N 2.87Å; E593-T597 PolarHBondContact O-OG1 3.34Å; N594-T597 WeakPolarHBondContact CA-OG1 3.35Å; N594-T597 PolarHBondContact O-OG1 3.43Å; N594-T597 VanDerWaalsContact O-OG1 3.09Å; I595-T597 VanDerWaalsContact C-N 3.32Å; I595-T597 PolarHBondContact O-N 3.25Å; T597-I601 WeakPolarHBondContact O-CD1 3.35Å; T597-I601 WeakPolarHBondContact O-CG1 2.27Å; T597-I601 PolarHBondContact O-N 3.01Å
598	D	32.8	Very low	38.8	Very low	122 Å²	122	105.6 Å²	105.6	65%	0.652	57%	0.565	S	S	*	*	H	α-helix	trans	-109	3.6	172.1	-93.8	-12.7	0	0	0	110.6	I595 E596	I595-D598 PolarHBondContact O-N 2.74Å; E596-D598 PolarHBondContact O-N 3.47Å
599	K	34.7	Very low	36.7	Very low	178 Å²	178	109.7 Å²	109.7	77%	0.774	60%	0.595	S	S	*	*	H	α-helix	trans	-116.1	3	167.6	-80	-173.5	-179.4	179.3	0	110.1	E596	E596-K599 PolarHBondContact O-N 3.26Å
600	R	35.2	Very low	34.4	Very low	158 Å²	158	111.8 Å²	111.8	60%	0.596	61%	0.61	S	S	*	*	H	α-helix	trans	-123.5	0	-177.7	-87.5	-168.9	-141.7	178.7	1.2	109.4	E596 F602 N603	E596-R600 VanDerWaalsContact CD-CZ 3.44Å; E596-R600 WeakPolarHBondContact O-CB 3.49Å; E596-R600 PolarHBondContact O-N 3.3Å; E596-R600 IonicContact OE1-CZ 3.89Å; E596-R600 VanDerWaalsContact OE1-CZ 3.22Å; E596-R600 IonicContact OE1-NE 3.39Å; E596-R600 IonicContact OE1-NH2 3.92Å; E596-R600 PolarHBondContact OE1-NH2 2.98Å; E596-R600 IonicContact OE2-NH2 3.71Å; E596-R600 PolarHBondContact OE2-NH2 3.33Å; R600-F602 PolarHBondContact O-N 3.5Å; R600-F602 VanDerWaalsContact O-N 3.08Å; R600-N603 PolarHBondContact O-N 3.48Å
601	I	35.1	Very low	32.8	Very low	135 Å²	135	116.7 Å²	116.7	69%	0.692	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn		0	19	0	-67.6	176	0	0	0	108.7	T597	T597-I601 WeakPolarHBondContact O-CD1 3.35Å; T597-I601 WeakPolarHBondContact O-CG1 2.27Å; T597-I601 PolarHBondContact O-N 3.01Å
602	F	26.2	Very low	31.1	Very low	184 Å²	184	121 Å²	121	81%	0.807	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130	0	164.4	-140.6	-94	0	0	0	109.8	R600	R600-F602 PolarHBondContact O-N 3.5Å; R600-F602 VanDerWaalsContact O-N 3.08Å
603	N	27	Very low	29.9	Very low	126 Å²	126	121 Å²	121	67%	0.674	68%	0.683	S	S	*	*	S	Bend		0	73.3	0	-90.3	-7.7	0	0	0	109.7	R600	R600-N603 PolarHBondContact O-N 3.48Å
604	S	26.9	Very low	29.1	Very low	104 Å²	104	119.3 Å²	119.3	73%	0.727	69%	0.687	S	S	*	*			trans	125	82.1	132.4	54.6	0	0	0	0	109.8	S606	S604-S606 VanDerWaalsContact C-N 3.29Å
605	L	23.7	Very low	28.6	Very low	178 Å²	178	122.5 Å²	122.5	93%	0.932	70%	0.699	S	S	*	*				-10.4	74.8	110	-93.4	108	0	0	0	111.4
606	S	22.3	Very low	28.3	Very low	99 Å²	99	124.9 Å²	124.9	69%	0.692	71%	0.713	S	S	*	*			trans	176.2	88.1	146.3	6.6	0	0	0	0	109.2	S604	S604-S606 VanDerWaalsContact C-N 3.29Å
607	S	23.1	Very low	28.7	Very low	110 Å²	110	122.7 Å²	122.7	77%	0.769	70%	0.704	S	S	*	*			trans	145.4	90.6	130.2	55.6	0	0	0	0	109.3
608	S	21.4	Very low	29.3	Very low	119 Å²	119	125.5 Å²	125.5	83%	0.832	71%	0.712	S	S	*	*				24.7	88.4	113.8	60.3	0	0	0	0	111.6
609	S	24.1	Very low	30.4	Very low	106 Å²	106	120.8 Å²	120.8	74%	0.741	69%	0.687	S	S	*	*			trans	-146.4	88.8	141.7	50.9	0	0	0	0	109.2
610	S	21.2	Very low	31.6	Very low	115 Å²	115	112.7 Å²	112.7	80%	0.804	65%	0.653	S	S	*	*			trans	7.7	99.1	135.6	-47.7	0	0	0	0	111.6
611	P	25.1	Very low	32.8	Very low	121 Å²	121	110.1 Å²	110.1	79%	0.786	66%	0.659	S	S	*	*			trans	-100.9	88.1	135.7	18.3	1.1	0	0	0	111.6
612	S	21.3	Very low	34	Very low	106 Å²	106	104.5 Å²	104.5	74%	0.741	63%	0.632	S	S	*	*				10	92.4	126.9	55	0	0	0	0	111.6
613	S	24.3	Very low	35.9	Very low	93 Å²	93	95.8 Å²	95.8	65%	0.65	59%	0.594	S	S	*	*				135.2	90.6	119.3	60.6	0	0	0	0	109.6	E615	S613-E615 PolarHBondContact O-N 3.18Å; S613-E615 VanDerWaalsContact O-N 3.13Å
614	S	27.4	Very low	37.7	Very low	108 Å²	108	94 Å²	94	76%	0.755	59%	0.587	S	S	*	*				38	0	122.9	60.7	0	0	0	0	111.5	N616	S614-N616 PolarHBondContact O-N 2.91Å
615	E	31.3	Very low	39.5	Very low	160 Å²	160	96 Å²	96	75%	0.748	59%	0.585	S	S	*	*				0	61.4	0	-85.1	-173.3	178	0	0	110.1	S613 L617	S613-E615 PolarHBondContact O-N 3.18Å; S613-E615 VanDerWaalsContact O-N 3.13Å; E615-L617 PolarHBondContact O-N 2.88Å
616	N	34	Very low	41.4	Very low	139 Å²	139	88 Å²	88	74%	0.743	54%	0.544	S	S	*	.			trans	0.7	89.2	145.1	-82.6	-26.1	0	0	0	112	S614 E618	S614-N616 PolarHBondContact O-N 2.91Å; N616-E618 WeakPolarHBondContact O-CA 3.26Å; N616-E618 WeakPolarHBondContact O-CB 3.46Å; N616-E618 PolarHBondContact O-N 3.43Å
617	L	46.5	Very low	43.4	Very low	48 Å²	48	85.5 Å²	85.5	25%	0.251	53%	0.534	S	S	.	.	S	Bend	trans	8	68	164.1	-88.9	132.7	0	0	0	111.4	L431 E615 K630	L431-L617 HydrophobicContact CB-CD2 3.6Å; L431-L617 HydrophobicContact CD1-CD2 4.4Å; L431-L617 HydrophobicContact CD2-CD2 4.35Å; L431-L617 HydrophobicContact CG-CD2 4.35Å; E615-L617 PolarHBondContact O-N 2.88Å; L617-K630 PolarHBondContact O-NZ 2.91Å
618	E	52	Low	45.6	Very low	127 Å²	127	80.5 Å²	80.5	59%	0.593	50%	0.498	S	S	*	.			trans	-82.3	0	-172.2	-145.7	170.5	177.2	0	0	109.8	H582 N616	H582-E618 PolarHBondContact CE1-O 2.74Å; H582-E618 PolarHBondContact NE2-O 3.32Å; N616-E618 WeakPolarHBondContact O-CA 3.26Å; N616-E618 WeakPolarHBondContact O-CB 3.46Å; N616-E618 PolarHBondContact O-N 3.43Å
619	L	55.8	Low	47.7	Very low	22 Å²	22	77.9 Å²	77.9	12%	0.115	48%	0.48	C	S	.	.				0	137.8	0	-101.3	126.9	0	0	0	111.3	S621 L623 V624 F628 K630 T661	L619-S621 PolarHBondContact O-N 2.94Å; L619-L623 HydrophobicContact CB-CB 4.26Å; L619-L623 HydrophobicContact CD2-CB 3.09Å; L619-L623 HydrophobicContact CD2-CD1 3.12Å; L619-L623 HydrophobicContact CD2-CD2 4.5Å; L619-L623 HydrophobicContact CD2-CG 3.7Å; L619-L623 HydrophobicContact CG-CB 4.29Å; L619-L623 HydrophobicContact CG-CD1 4.23Å; L619-V624 HydrophobicContact CB-CG2 3.6Å; L619-F628 HydrophobicContact CD2-CB 4.37Å; L619-K630 HydrophobicContact CD1-CB 4.39Å; L619-K630 HydrophobicContact CD1-CD 4.09Å; L619-K630 HydrophobicContact CD1-CG 3.32Å; L619-T661 HydrophobicContact CD1-CG2 4.31Å; L619-T661 HydrophobicContact CD2-CG2 3.87Å; L619-T661 HydrophobicContact CG-CG2 4.38Å
620	S	60.5	Low	49.3	Very low	8 Å²	8	76 Å²	76	6%	0.056	46%	0.458	C	S	.	.			trans	-44.2	123.9	175.7	70.8	0	0	0	0	111.6	Q578 S622 L623 V624	Q578-S620 WeakPolarHBondContact CG-OG 3.21Å; S620-S622 WeakPolarHBondContact CB-OG 3.35Å; S620-S622 PolarHBondContact O-N 2.93Å; S620-S622 PolarHBondContact OG-OG 3.18Å; S620-L623 PolarHBondContact O-N 3.1Å; S620-L623 WeakPolarHBondContact OG-CB 3.28Å; S620-L623 WeakPolarHBondContact OG-CD1 3.35Å; S620-L623 WeakPolarHBondContact OG-CG 3.31Å; S620-L623 PolarHBondContact OG-N 2.91Å; S620-L623 VanDerWaalsContact OG-N 3.08Å; S620-V624 PolarHBondContact O-N 3.35Å; S620-V624 VanDerWaalsContact O-N 3.08Å
621	S	59.1	Low	50.7	Low	104 Å²	104	73.9 Å²	73.9	73%	0.727	44%	0.438	S	S	*	.	H	α-helix	trans	-32.3	0	173.3	59.2	0	0	0	0	111.5	L619 Q625	L619-S621 PolarHBondContact O-N 2.94Å; S621-Q625 WeakPolarHBondContact O-CB 3.36Å; S621-Q625 PolarHBondContact O-N 3.34Å
622	S	60.7	Low	51.9	Low	17 Å²	17	73.2 Å²	73.2	12%	0.119	43%	0.427	C	S	.	.	H	α-helix		0	-33.6	0	57.2	0	0	0	0	111.3	Q578 S620 A626 Y693	Q578-S622 WeakPolarHBondContact CG-OG 3.45Å; Q578-S622 PolarHBondContact NE2-OG 3.42Å; S620-S622 WeakPolarHBondContact CB-OG 3.35Å; S620-S622 PolarHBondContact O-N 2.93Å; S620-S622 PolarHBondContact OG-OG 3.18Å; S622-A626 WeakPolarHBondContact O-CB 3.38Å; S622-A626 PolarHBondContact O-N 3.38Å; S622-Y693 WeakPolarHBondContact O-CE1 3.43Å
623	L	66.8	Low	52.8	Low	2 Å²	2	73 Å²	73	1%	0.01	42%	0.417	C	S	.	.	H	α-helix	trans	-77.1	-36.7	-179.7	-76.9	173.3	0	0	0	110.4	L421 L575 Q578 K579 L619 S620 A626 G627 F628	L421-L623 HydrophobicContact CD1-CD2 3.78Å; L575-L623 HydrophobicContact CB-CD2 4.36Å; L575-L623 HydrophobicContact CD2-CD2 3.93Å; Q578-L623 HydrophobicContact CG-CG 4.47Å; K579-L623 HydrophobicContact CB-CD1 3.77Å; K579-L623 HydrophobicContact CG-CD1 4.12Å; L619-L623 HydrophobicContact CB-CB 4.26Å; L619-L623 HydrophobicContact CD2-CB 3.09Å; L619-L623 HydrophobicContact CD2-CD1 3.12Å; L619-L623 HydrophobicContact CD2-CD2 4.5Å; L619-L623 HydrophobicContact CD2-CG 3.7Å; L619-L623 HydrophobicContact CG-CB 4.29Å; L619-L623 HydrophobicContact CG-CD1 4.23Å; S620-L623 PolarHBondContact O-N 3.1Å; S620-L623 WeakPolarHBondContact OG-CB 3.28Å; S620-L623 WeakPolarHBondContact OG-CD1 3.35Å; S620-L623 WeakPolarHBondContact OG-CG 3.31Å; S620-L623 PolarHBondContact OG-N 2.91Å; S620-L623 VanDerWaalsContact OG-N 3.08Å; L623-A626 PolarHBondContact O-N 2.97Å; L623-G627 PolarHBondContact O-N 3.48Å; L623-F628 HydrophobicContact CB-CB 4.4Å; L623-F628 HydrophobicContact CD2-CD2 4.03Å; L623-F628 HydrophobicContact CD2-CG 4.44Å; L623-F628 WeakPolarHBondContact O-CB 3.39Å; L623-F628 PolarHBondContact O-N 3.3Å
624	V	64.3	Low	53.3	Low	87 Å²	87	72 Å²	72	53%	0.527	41%	0.407	S	S	.	.	H	α-helix	trans	-66.9	-41.5	177	174.3	0	0	0	0	109.7	L619 S620 A626 G627	L619-V624 HydrophobicContact CB-CG2 3.6Å; S620-V624 PolarHBondContact O-N 3.35Å; S620-V624 VanDerWaalsContact O-N 3.08Å; V624-A626 PolarHBondContact O-N 3.47Å; V624-G627 PolarHBondContact O-N 2.94Å
625	Q	64.2	Low	53.8	Low	147 Å²	147	71.4 Å²	71.4	69%	0.687	40%	0.403	S	S	*	.	H	α-helix	trans	-65.3	-33.5	178.4	-168	172.9	1.7	0	0	111.2	S621 G627 Y693	S621-Q625 WeakPolarHBondContact O-CB 3.36Å; S621-Q625 PolarHBondContact O-N 3.34Å; Q625-G627 PolarHBondContact O-N 3.38Å; Q625-Y693 PolarHBondContact O-OH 3.32Å
626	A	63.5	Low	53.8	Low	10 Å²	10	72.4 Å²	72.4	8%	0.083	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-0	179.4	0	0	0	0	0	110.4	L575 S622 L623 V624 F628 R663 Y693	L575-A626 HydrophobicContact CD1-CB 4.46Å; L575-A626 HydrophobicContact CD2-CB 3.68Å; S622-A626 WeakPolarHBondContact O-CB 3.38Å; S622-A626 PolarHBondContact O-N 3.38Å; L623-A626 PolarHBondContact O-N 2.97Å; V624-A626 PolarHBondContact O-N 3.47Å; A626-F628 HydrophobicContact CB-CD2 3.84Å; A626-F628 HydrophobicContact CB-CE2 4.05Å; A626-R663 PolarHBondContact O-NH1 3.33Å; A626-Y693 WeakPolarHBondContact CA-OH 2.84Å; A626-Y693 HydrophobicContact CB-CD1 4.2Å; A626-Y693 HydrophobicContact CB-CD2 4.32Å; A626-Y693 HydrophobicContact CB-CE1 3.41Å; A626-Y693 VanDerWaalsContact CB-CE1 3.41Å; A626-Y693 HydrophobicContact CB-CE2 3.56Å; A626-Y693 WeakPolarHBondContact CB-OH 3.37Å; A626-Y693 PolarHBondContact N-OH 3.45Å
627	G	64.4	Low	53.8	Low	46 Å²	46	72.6 Å²	72.6	47%	0.474	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.7	3.8	171.7	0	0	0	0	0	110.6	L623 V624 Q625 S629 R663	L623-G627 PolarHBondContact O-N 3.48Å; V624-G627 PolarHBondContact O-N 2.94Å; Q625-G627 PolarHBondContact O-N 3.38Å; G627-S629 PolarHBondContact O-N 3.49Å; G627-R663 WeakPolarHBondContact O-CB 3.37Å
628	F	70.8	Confident	52.9	Low	5 Å²	5	75.9 Å²	75.9	2%	0.022	43%	0.425	C	S	.	.			trans	-79.6	128	180	-75.4	-87.5	0	0	0	110.3	L421 L575 L619 L623 A626 R663	L421-F628 HydrophobicContact CD1-CD1 3.67Å; L421-F628 HydrophobicContact CD1-CD2 4.31Å; L421-F628 HydrophobicContact CD1-CE1 3.57Å; L421-F628 HydrophobicContact CD1-CE2 4.23Å; L421-F628 HydrophobicContact CD1-CG 4.05Å; L421-F628 HydrophobicContact CD1-CZ 3.86Å; L421-F628 HydrophobicContact CD2-CE1 3.61Å; L421-F628 HydrophobicContact CD2-CE2 4.43Å; L421-F628 HydrophobicContact CD2-CZ 3.52Å; L421-F628 HydrophobicContact CG-CD1 3.81Å; L421-F628 HydrophobicContact CG-CE1 3.26Å; L421-F628 HydrophobicContact CG-CZ 3.71Å; L575-F628 HydrophobicContact CB-CE2 4.28Å; L575-F628 HydrophobicContact CD1-CD2 4.22Å; L575-F628 HydrophobicContact CD1-CE2 3.06Å; L575-F628 HydrophobicContact CD1-CZ 3.52Å; L575-F628 HydrophobicContact CD2-CE2 4.04Å; L575-F628 HydrophobicContact CG-CE2 3.98Å; L619-F628 HydrophobicContact CD2-CB 4.37Å; L623-F628 HydrophobicContact CB-CB 4.4Å; L623-F628 HydrophobicContact CD2-CD2 4.03Å; L623-F628 HydrophobicContact CD2-CG 4.44Å; L623-F628 WeakPolarHBondContact O-CB 3.39Å; L623-F628 PolarHBondContact O-N 3.3Å; A626-F628 HydrophobicContact CB-CD2 3.84Å; A626-F628 HydrophobicContact CB-CE2 4.05Å; F628-R663 HydrophobicContact CD1-CB 3.89Å; F628-R663 HydrophobicContact CD1-CG 4.01Å; F628-R663 HydrophobicContact CE1-CB 4.08Å; F628-R663 HydrophobicContact CE1-CG 3.65Å; F628-R663 HydrophobicContact CE2-CG 4.27Å; F628-R663 HydrophobicContact CG-CB 4.16Å; F628-R663 HydrophobicContact CG-CG 4.46Å; F628-R663 VanDerWaalsContact CZ-CD 3.43Å; F628-R663 HydrophobicContact CZ-CG 3.79Å
629	S	64.1	Low	51.8	Low	64 Å²	64	74 Å²	74	45%	0.448	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	155.2	175.4	54.5	0	0	0	0	109.9	G627 L631 S662	G627-S629 PolarHBondContact O-N 3.49Å; S629-L631 PolarHBondContact O-N 2.95Å; S629-S662 PolarHBondContact N-O 3.25Å; S629-S662 PolarHBondContact O-N 3.33Å
630	K	58.1	Low	50.4	Low	66 Å²	66	79.4 Å²	79.4	29%	0.287	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	103.1	176.9	-83	-179	-172.5	178.6	0	110.2	L617 L619 L659	L617-K630 PolarHBondContact O-NZ 2.91Å; L619-K630 HydrophobicContact CD1-CB 4.39Å; L619-K630 HydrophobicContact CD1-CD 4.09Å; L619-K630 HydrophobicContact CD1-CG 3.32Å; K630-L659 HydrophobicContact CB-CD2 4.01Å; K630-L659 HydrophobicContact CD-CD1 3.95Å; K630-L659 HydrophobicContact CD-CD2 4.17Å; K630-L659 HydrophobicContact CG-CD2 4.37Å
631	L	51	Low	48.9	Very low	71 Å²	71	87.1 Å²	87.1	37%	0.372	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	118.7	171.9	-78	164.4	0	0	0	110.3	L418 S629 L659 I660 S662	L418-L631 HydrophobicContact CD1-CD1 4.45Å; S629-L631 PolarHBondContact O-N 2.95Å; L631-L659 WeakPolarHBondContact O-CA 2.17Å; L631-I660 PolarHBondContact N-O 3.37Å; L631-I660 PolarHBondContact O-N 2.88Å; L631-S662 WeakPolarHBondContact CD1-OG 3.4Å; L631-S662 WeakPolarHBondContact CG-OG 3.3Å
632	I	50.5	Low	47.4	Very low	107 Å²	107	88 Å²	88	55%	0.549	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	0	178	-64	171.3	0	0	0	108.6	T634 L659	I632-T634 HydrophobicContact CG2-CG2 3.92Å; I632-L659 HydrophobicContact CB-CD2 4.27Å; I632-L659 HydrophobicContact CD1-CD2 3.92Å; I632-L659 HydrophobicContact CG1-CD2 3.09Å; I632-L659 HydrophobicContact CG1-CG 4.46Å
633	L	39	Very low	45.8	Very low	103 Å²	103	94 Å²	94	54%	0.539	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)		0	0	0	-81.4	152.8	0	0	0	110.3	Y658 I660	L633-Y658 PolarHBondContact N-O 3.5Å; L633-I660 HydrophobicContact CD1-CD1 2.74Å; L633-I660 HydrophobicContact CD1-CG1 3.95Å; L633-I660 HydrophobicContact CG-CD1 4.05Å
634	T	35	Very low	43.9	Very low	72 Å²	72	99.7 Å²	99.7	44%	0.442	56%	0.556	S	S	.	*				0	0	0	54.3	0	0	0	0	109.9	I632 R636	I632-T634 HydrophobicContact CG2-CG2 3.92Å; T634-R636 PolarHBondContact O-N 3.23Å; T634-R636 PolarHBondContact OG1-O 2.93Å
635	S	37.7	Very low	42	Very low	95 Å²	95	104.2 Å²	104.2	66%	0.664	57%	0.569	S	S	*	*	S	Bend		0	0	0	63.8	0	0	0	0	111.3
636	R	31.8	Very low	40.2	Very low	181 Å²	181	103.8 Å²	103.8	68%	0.683	58%	0.577	S	S	*	*	S	Bend		0	70.2	0	-104	-170.9	-149	178.8	0.7	109.4	T634	T634-R636 PolarHBondContact O-N 3.23Å; T634-R636 PolarHBondContact OG1-O 2.93Å
637	I	33.1	Very low	38.5	Very low	143 Å²	143	111 Å²	111	73%	0.733	61%	0.612	S	S	*	*			trans	62.6	0	151.8	-60.9	172.6	0	0	0	109.8
638	C	27.8	Very low	36.7	Very low	116 Å²	116	113.7 Å²	113.7	78%	0.784	62%	0.623	S	S	*	*				0	0	0	-89.5	0	0	0	0	108.9
639	S	29.5	Very low	34.5	Very low	88 Å²	88	120 Å²	120	62%	0.615	66%	0.658	S	S	*	*				0	86.9	0	13.2	0	0	0	0	111.6
640	D	27.3	Very low	32.9	Very low	135 Å²	135	124.9 Å²	124.9	72%	0.722	68%	0.679	S	S	*	*			trans	126	97.2	130.8	-83.7	-16.1	0	0	0	109.6
641	L	28.5	Very low	31.5	Very low	171 Å²	171	128.8 Å²	128.8	90%	0.895	70%	0.703	S	S	*	*				-14.1	91	127.9	-141	72.5	0	0	0	111.5
642	N	28	Very low	30.6	Very low	121 Å²	121	133.1 Å²	133.1	65%	0.647	73%	0.726	S	S	*	*			trans	-162.8	0	144.3	-85.9	-9.9	0	0	0	110
643	N	26.4	Very low	29.7	Very low	145 Å²	145	134.5 Å²	134.5	78%	0.775	74%	0.735	S	S	*	*				0	109.2	0	-105.8	-0.3	0	0	0	110.9
644	T	26.2	Very low	29.6	Very low	120 Å²	120	137.1 Å²	137.1	74%	0.736	75%	0.749	S	S	*	*				44.2	103.2	119.8	51.8	0	0	0	0	110.5
645	K	25.7	Very low	29.7	Very low	183 Å²	183	139.6 Å²	139.6	80%	0.796	75%	0.754	S	S	*	*			trans	137.7	97.5	133.2	-90.1	-178	-176.4	178.7	0	109.3
646	T	25.6	Very low	29.8	Very low	137 Å²	137	142.6 Å²	142.6	84%	0.84	76%	0.755	S	S	*	*				52.1	73.3	126.7	49.5	0	0	0	0	110.4
647	I	28	Very low	30.3	Very low	163 Å²	163	135.5 Å²	135.5	84%	0.836	73%	0.733	S	S	*	*			trans	-114.9	0	153.2	-66	174.6	0	0	0	108.5
648	S	25.9	Very low	31	Very low	101 Å²	101	134.4 Å²	134.4	71%	0.706	72%	0.721	S	S	*	*				0	113.3	0	93.1	0	0	0	0	111.6
649	N	26.3	Very low	32.3	Very low	139 Å²	139	129.9 Å²	129.9	74%	0.743	69%	0.688	S	S	*	*				88.3	88.9	112	-103.2	2.8	0	0	0	110.6
650	N	29.6	Very low	33.7	Very low	166 Å²	166	127.1 Å²	127.1	89%	0.888	67%	0.666	S	S	*	*			trans	-145	0	144.7	-94.7	-5.3	0	0	0	110	N652	N650-N652 PolarHBondContact O-N 3.49Å
651	N	29.1	Very low	35.8	Very low	147 Å²	147	121.3 Å²	121.3	79%	0.786	64%	0.636	S	S	*	*				0	76.5	0	-83.8	-8.3	0	0	0	111.9
652	N	32	Very low	37.9	Very low	162 Å²	162	113.2 Å²	113.2	87%	0.866	59%	0.594	S	S	*	*			trans	-153.7	86	148.3	-89.9	-10.4	0	0	0	109.7	N650 D654	N650-N652 PolarHBondContact O-N 3.49Å; N652-D654 PolarHBondContact O-N 3.41Å
653	N	31.2	Very low	40.1	Very low	137 Å²	137	108.1 Å²	108.1	73%	0.733	57%	0.565	S	S	*	*			trans	-19	0	140	-80.2	-12.2	0	0	0	112.1
654	D	36.9	Very low	42.2	Very low	157 Å²	157	109 Å²	109	84%	0.84	56%	0.558	S	S	*	*				0	0	0	-80.8	-16.6	0	0	0	109.1	N652	N652-D654 PolarHBondContact O-N 3.41Å
655	K	38	Very low	44.2	Very low	125 Å²	125	105.4 Å²	105.4	54%	0.543	53%	0.533	S	S	.	.				0	91	0	-73.4	-175.2	-176.5	176.4	0	109.3	S657	K655-S657 PolarHBondContact O-N 3.01Å
656	K	38	Very low	46.1	Very low	158 Å²	158	104 Å²	104	69%	0.687	52%	0.523	S	S	*	.			trans	-45.5	83.8	175.6	-79.2	-177	-174.6	178.4	0	111.3	Y658	K656-Y658 HydrophobicContact CB-CE2 4.16Å
657	S	42.6	Very low	48	Very low	31 Å²	31	101.2 Å²	101.2	22%	0.217	50%	0.503	C	S	.	.			trans	-66.4	0	168.4	53.4	0	0	0	0	110.8	Q432 K655	Q432-S657 PolarHBondContact NE2-O 3.31Å; Q432-S657 VanDerWaalsContact NE2-O 3.11Å; Q432-S657 PolarHBondContact NE2-OG 3.48Å; Q432-S657 PolarHBondContact OE1-OG 3.44Å; K655-S657 PolarHBondContact O-N 3.01Å
658	Y	49.1	Very low	49.7	Very low	121 Å²	121	96.1 Å²	96.1	48%	0.475	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)		0	126	0	-56.7	-84.9	0	0	0	110	L633 K656	L633-Y658 PolarHBondContact N-O 3.5Å; K656-Y658 HydrophobicContact CB-CE2 4.16Å
659	L	53.4	Low	51.1	Low	20 Å²	20	93.4 Å²	93.4	11%	0.105	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	0	169.8	-67	169	0	0	0	110.6	N428 K630 L631 I632	N428-L659 PolarHBondContact ND2-N 3.22Å; N428-L659 PolarHBondContact ND2-O 2.91Å; K630-L659 HydrophobicContact CB-CD2 4.01Å; K630-L659 HydrophobicContact CD-CD1 3.95Å; K630-L659 HydrophobicContact CD-CD2 4.17Å; K630-L659 HydrophobicContact CG-CD2 4.37Å; L631-L659 WeakPolarHBondContact O-CA 2.17Å; I632-L659 HydrophobicContact CB-CD2 4.27Å; I632-L659 HydrophobicContact CD1-CD2 3.92Å; I632-L659 HydrophobicContact CG1-CD2 3.09Å; I632-L659 HydrophobicContact CG1-CG 4.46Å
660	I	60.3	Low	52.7	Low	31 Å²	31	92 Å²	92	16%	0.159	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)		0	123.1	0	-63.8	168.2	0	0	0	109.3	R420 L631 L633 S662	R420-I660 HydrophobicContact CG-CG2 4.41Å; L631-I660 PolarHBondContact N-O 3.37Å; L631-I660 PolarHBondContact O-N 2.88Å; L633-I660 HydrophobicContact CD1-CD1 2.74Å; L633-I660 HydrophobicContact CD1-CG1 3.95Å; L633-I660 HydrophobicContact CG-CD1 4.05Å; I660-S662 PolarHBondContact O-N 3.15Å
661	T	70.9	Confident	53.8	Low	12 Å²	12	87.3 Å²	87.3	7%	0.074	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	0	170.3	51.4	0	0	0	0	110.5	L421 K579 L619	L421-T661 WeakPolarHBondContact CB-OG1 3.4Å; L421-T661 PolarHBondContact N-O 2.91Å; K579-T661 HydrophobicContact CD-CG2 4.4Å; K579-T661 PolarHBondContact NZ-OG1 2.49Å; L619-T661 HydrophobicContact CD1-CG2 4.31Å; L619-T661 HydrophobicContact CD2-CG2 3.87Å; L619-T661 HydrophobicContact CG-CG2 4.38Å
662	S	72.5	Confident	54.8	Low	2 Å²	2	88 Å²	88	1%	0.014	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)		0	148.7	0	52.1	0	0	0	0	109.7	Q419 S629 L631 I660	Q419-S662 VanDerWaalsContact O-CA 3.27Å; Q419-S662 WeakPolarHBondContact O-CA 3.48Å; S629-S662 PolarHBondContact N-O 3.25Å; S629-S662 PolarHBondContact O-N 3.33Å; L631-S662 WeakPolarHBondContact CD1-OG 3.4Å; L631-S662 WeakPolarHBondContact CG-OG 3.3Å; I660-S662 PolarHBondContact O-N 3.15Å
663	R	74.1	Confident	55.6	Low	14 Å²	14	82.6 Å²	82.6	5%	0.053	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	143.8	173.6	70.7	175.9	-177.6	-170.4	-2.8	109.1	Q419 A626 G627 F628 I665 D690	Q419-R663 HydrophobicContact CB-CG 3.91Å; Q419-R663 PolarHBondContact N-O 3.15Å; Q419-R663 PolarHBondContact O-N 3.48Å; A626-R663 PolarHBondContact O-NH1 3.33Å; G627-R663 WeakPolarHBondContact O-CB 3.37Å; F628-R663 HydrophobicContact CD1-CB 3.89Å; F628-R663 HydrophobicContact CD1-CG 4.01Å; F628-R663 HydrophobicContact CE1-CB 4.08Å; F628-R663 HydrophobicContact CE1-CG 3.65Å; F628-R663 HydrophobicContact CE2-CG 4.27Å; F628-R663 HydrophobicContact CG-CB 4.16Å; F628-R663 HydrophobicContact CG-CG 4.46Å; F628-R663 VanDerWaalsContact CZ-CD 3.43Å; F628-R663 HydrophobicContact CZ-CG 3.79Å; R663-I665 HydrophobicContact CG-CG1 4.45Å; R663-D690 IonicContact CZ-OD1 3.96Å; R663-D690 IonicContact NH1-OD1 3.93Å; R663-D690 PolarHBondContact NH1-OD1 2.82Å; R663-D690 IonicContact NH2-OD1 3.1Å; R663-D690 IonicContact NH2-OD2 4Å
664	W	69.8	Low	56.2	Low	163 Å²	163	80.9 Å²	80.9	62%	0.617	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	123.1	174.9	-72	100.9	0	0	0	110.1	F416 S417 L418	F416-W664 HydrophobicContact CB-CD2 4.43Å; F416-W664 HydrophobicContact CB-CE3 3.54Å; F416-W664 HydrophobicContact CB-CZ3 4.08Å; S417-W664 CarbonylContact O-C 3.59Å; S417-W664 WeakPolarHBondContact O-CA 3.32Å; L418-W664 HydrophobicContact CB-CE3 4.2Å; L418-W664 HydrophobicContact CB-CH2 4.31Å; L418-W664 HydrophobicContact CB-CZ3 4Å; L418-W664 HydrophobicContact CD1-CD2 4.01Å; L418-W664 HydrophobicContact CD1-CE3 4.38Å; L418-W664 HydrophobicContact CD1-CG 4.38Å; L418-W664 HydrophobicContact CD1-CZ2 4.21Å
665	I	69.6	Low	56.4	Low	44 Å²	44	78.8 Å²	78.8	23%	0.226	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	129.3	175.9	-63.4	168.5	0	0	0	109.2	F416 S417 Q419 R663	F416-I665 WeakPolarHBondContact CA-O 3.4Å; S417-I665 PolarHBondContact N-O 3.38Å; S417-I665 PolarHBondContact O-N 2.92Å; S417-I665 WeakPolarHBondContact OG-CB 3.02Å; Q419-I665 HydrophobicContact CB-CD1 3.47Å; Q419-I665 VanDerWaalsContact CB-CD1 3.47Å; Q419-I665 HydrophobicContact CB-CG1 4.03Å; Q419-I665 HydrophobicContact CG-CD1 4.09Å; R663-I665 HydrophobicContact CG-CG1 4.45Å
666	R	66.2	Low	56.7	Low	155 Å²	155	79.5 Å²	79.5	59%	0.585	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	0	-179.3	-69.4	-179.7	-170.8	178.2	0.4	110.3	N413 F416	N413-R666 WeakPolarHBondContact ND2-CB 3.37Å; N413-R666 WeakPolarHBondContact ND2-CD 3.46Å; N413-R666 WeakPolarHBondContact ND2-CG 3.49Å; F416-R666 HydrophobicContact CD1-CB 4.5Å; F416-R666 HydrophobicContact CD1-CG 3.73Å; F416-R666 HydrophobicContact CE1-CB 4.41Å; F416-R666 HydrophobicContact CE1-CG 3.41Å; F416-R666 VanDerWaalsContact CE1-CG 3.41Å
667	L	65	Low	57	Low	78 Å²	78	75.1 Å²	75.1	41%	0.408	39%	0.387	S	S	.	.	P	Polyproline II helix		0	126.3	0	-92.7	81.3	0	0	0	110.2	G415 D669	G415-L667 PolarHBondContact O-N 3.3Å; L667-D669 PolarHBondContact O-N 2.97Å
668	P	62.2	Low	57.1	Low	56 Å²	56	79.1 Å²	79.1	36%	0.364	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-59.9	137.1	179.8	11.3	-12.2	0	0	0	111.8	L670 P684 P685	P668-L670 PolarHBondContact O-N 3.37Å; P668-P684 HydrophobicContact CG-CB 4.49Å; P668-P685 HydrophobicContact CB-CG 4.09Å; P668-P685 HydrophobicContact CG-CG 4.3Å
669	D	57.3	Low	57.2	Low	43 Å²	43	79.1 Å²	79.1	23%	0.23	41%	0.414	C	S	.	.			trans	-66.3	113.7	171.6	-81.5	-14.1	0	0	0	111.1	K412 L667 N671 R672	K412-D669 VanDerWaalsContact O-OD2 3.06Å; L667-D669 PolarHBondContact O-N 2.97Å; D669-N671 PolarHBondContact O-N 3.12Å; D669-R672 PolarHBondContact O-N 3.41Å
670	L	58.3	Low	57.6	Low	111 Å²	111	80.1 Å²	80.1	58%	0.581	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	0	-174.8	-92.5	85.6	0	0	0	110.4	P668 L673 W683	P668-L670 PolarHBondContact O-N 3.37Å; L670-L673 PolarHBondContact O-N 2.89Å; L670-W683 HydrophobicContact CD2-CZ2 4.35Å
671	N	53.6	Low	57.8	Low	66 Å²	66	81.8 Å²	81.8	35%	0.353	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn		0	0	0	-75.8	-20.4	0	0	0	111.2	R381 D669 L673 T674	R381-N671 PolarHBondContact NE-ND2 2.96Å; R381-N671 CovalentContact NH1-ND2 1.62Å; R381-N671 PolarHBondContact NH1-ND2 3.37Å; R381-N671 PolarHBondContact NH1-OD1 2.96Å; R381-N671 VanDerWaalsContact NH2-CG 3.34Å; R381-N671 PolarHBondContact NH2-ND2 3.13Å; R381-N671 PolarHBondContact NH2-OD1 3.43Å; D669-N671 PolarHBondContact O-N 3.12Å; N671-L673 PolarHBondContact O-N 3.36Å; N671-T674 PolarHBondContact O-N 3.03Å; N671-T674 PolarHBondContact O-OG1 3.44Å
672	R	50.8	Low	57.9	Low	163 Å²	163	82 Å²	82	62%	0.615	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn		0	0	0	-85.6	-167	-164.5	-169.6	-0.6	110.9	D669	D669-R672 PolarHBondContact O-N 3.41Å
673	L	47.9	Very low	57.8	Low	48 Å²	48	87.7 Å²	87.7	25%	0.251	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn		0	0	0	-70.6	162.5	0	0	0	110.4	L670 N671 N675 L680 P685	L670-L673 PolarHBondContact O-N 2.89Å; N671-L673 PolarHBondContact O-N 3.36Å; L673-N675 PolarHBondContact O-N 3.31Å; L673-N675 VanDerWaalsContact O-N 3.15Å; L673-L680 HydrophobicContact CD1-CD2 4.39Å; L673-L680 HydrophobicContact CD2-CD1 3.76Å; L673-L680 HydrophobicContact CD2-CD2 4.25Å; L673-P685 HydrophobicContact CD1-CB 3.95Å; L673-P685 HydrophobicContact CD1-CG 2.85Å; L673-P685 HydrophobicContact CD2-CB 3.78Å; L673-P685 HydrophobicContact CD2-CG 3.62Å; L673-P685 HydrophobicContact CG-CB 4.48Å; L673-P685 HydrophobicContact CG-CG 3.75Å
674	T	44.2	Very low	57.8	Low	100 Å²	100	88.7 Å²	88.7	61%	0.613	46%	0.457	S	S	*	.				0	20	0	46.1	0	0	0	0	110.5	N671 P676	N671-T674 PolarHBondContact O-N 3.03Å; N671-T674 PolarHBondContact O-OG1 3.44Å; T674-P676 WeakPolarHBondContact O-CD 3.47Å
675	N	41.5	Very low	57.6	Low	114 Å²	114	82.1 Å²	82.1	61%	0.61	44%	0.435	S	S	*	.			trans	-70.3	98.3	159.5	-79.8	-21.6	0	0	0	111.4	L673 G677	L673-N675 PolarHBondContact O-N 3.31Å; L673-N675 VanDerWaalsContact O-N 3.15Å; N675-G677 PolarHBondContact O-N 3.13Å
676	P	44.3	Very low	57.6	Low	139 Å²	139	80.5 Å²	80.5	90%	0.903	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	0	175.2	12.7	2.9	0	0	0	111.7	T674	T674-P676 WeakPolarHBondContact O-CD 3.47Å
677	G	42.8	Very low	57.6	Low	66 Å²	66	75.2 Å²	75.2	68%	0.68	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn		0	0	0	0	0	0	0	0	110.6	N675 N679	N675-G677 PolarHBondContact O-N 3.13Å; G677-N679 PolarHBondContact O-N 2.87Å
678	L	45.4	Very low	57.5	Low	115 Å²	115	77 Å²	77	60%	0.602	43%	0.426	S	S	*	.	S	Bend		0	77.2	0	-78	162.9	0	0	0	109.3	L680	L678-L680 WeakPolarHBondContact O-CA 3.48Å; L678-L680 PolarHBondContact O-N 2.97Å
679	N	51.5	Low	57.5	Low	121 Å²	121	81.7 Å²	81.7	65%	0.647	44%	0.443	S	S	*	.			trans	-17.6	69.2	165.9	-90.8	-20.8	0	0	0	112	G677 M681	G677-N679 PolarHBondContact O-N 2.87Å; N679-M681 HydrophobicContact CB-CE 4.14Å; N679-M681 PolarHBondContact O-N 2.99Å
680	L	61	Low	57.9	Low	42 Å²	42	80.2 Å²	80.2	22%	0.22	44%	0.435	C	S	.	.			trans	-61.9	94.3	178.9	-156.8	67.7	0	0	0	109.8	R560 L673 L678 E682 P685	R560-L680 PolarHBondContact NE-O 3.42Å; R560-L680 PolarHBondContact NH2-O 3.26Å; L673-L680 HydrophobicContact CD1-CD2 4.39Å; L673-L680 HydrophobicContact CD2-CD1 3.76Å; L673-L680 HydrophobicContact CD2-CD2 4.25Å; L678-L680 WeakPolarHBondContact O-CA 3.48Å; L678-L680 PolarHBondContact O-N 2.97Å; L680-E682 WeakPolarHBondContact CD2-O 3.42Å; L680-E682 WeakPolarHBondContact CG-O 3.46Å; L680-E682 PolarHBondContact O-N 2.89Å; L680-E682 VanDerWaalsContact O-N 3.16Å; L680-P685 HydrophobicContact CD1-CB 4.19Å
681	M	65.7	Low	58.1	Low	66 Å²	66	78.2 Å²	78.2	33%	0.325	43%	0.425	S	S	.	.	S	Bend	trans	-51.9	-16.2	179.2	-79.5	-63.5	137.6	0	0	110.4	V541 A545 R560 N679	V541-M681 WeakPolarHBondContact CG1-O 3.17Å; V541-M681 HydrophobicContact CG1-SD 4.05Å; A545-M681 HydrophobicContact CB-CE 4.46Å; R560-M681 WeakPolarHBondContact CG-O 3.46Å; N679-M681 HydrophobicContact CB-CE 4.14Å; N679-M681 PolarHBondContact O-N 2.99Å
682	E	72.6	Confident	58.5	Low	17 Å²	17	79.3 Å²	79.3	8%	0.079	43%	0.433	C	S	.	.	S	Bend	trans	-153.4	0	-171.5	48.6	-172.5	-175	0	0	109.5	L563 R567 L680 F686	L563-E682 HydrophobicContact CD2-CB 4.16Å; R567-E682 WeakPolarHBondContact CD-OE2 3.27Å; R567-E682 IonicContact CZ-OE1 2.19Å; R567-E682 IonicContact NE-OE2 3.71Å; R567-E682 IonicContact NH1-OE1 3.52Å; R567-E682 PolarHBondContact NH1-OE1 2.49Å; R567-E682 IonicContact NH1-OE2 3.71Å; R567-E682 PolarHBondContact NH1-OE2 2.53Å; L680-E682 WeakPolarHBondContact CD2-O 3.42Å; L680-E682 WeakPolarHBondContact CG-O 3.46Å; L680-E682 PolarHBondContact O-N 2.89Å; L680-E682 VanDerWaalsContact O-N 3.16Å; E682-F686 WeakPolarHBondContact OE1-CB 3.45Å; E682-F686 PolarHBondContact OE1-N 3.26Å
683	W	70.6	Confident	59.1	Low	121 Å²	121	71.9 Å²	71.9	46%	0.458	41%	0.406	S	S	.	.	S	Bend		0	0	0	-163.1	85.4	0	0	0	108.7	R560 H561 L670	R560-W683 HydrophobicContact CB-CB 4.2Å; H561-W683 WeakPolarHBondContact CA-O 3.37Å; L670-W683 HydrophobicContact CD2-CZ2 4.35Å
684	P	72.7	Confident	59.8	Low	35 Å²	35	70.1 Å²	70.1	23%	0.227	40%	0.396	C	S	.	.	S	Bend		0	0	0	15.2	-14.3	0	0	0	111.7	F564 P668 F686	F564-P684 HydrophobicContact CD1-CG 3.9Å; F564-P684 HydrophobicContact CD2-CG 4.23Å; F564-P684 WeakPolarHBondContact CD2-O 3.37Å; F564-P684 HydrophobicContact CE1-CG 3.67Å; F564-P684 HydrophobicContact CE2-CB 4.47Å; F564-P684 HydrophobicContact CE2-CG 4Å; F564-P684 HydrophobicContact CG-CG 4.17Å; F564-P684 HydrophobicContact CZ-CG 3.73Å; P668-P684 HydrophobicContact CG-CB 4.49Å; P684-F686 PolarHBondContact O-N 3.49Å
685	P	66.2	Low	60.6	Low	24 Å²	24	71.5 Å²	71.5	16%	0.156	40%	0.4	C	S	.	.	P	Polyproline II helix		0	136.9	0	17.6	-21.1	0	0	0	111.7	P668 L673 L680	P668-P685 HydrophobicContact CB-CG 4.09Å; P668-P685 HydrophobicContact CG-CG 4.3Å; L673-P685 HydrophobicContact CD1-CB 3.95Å; L673-P685 HydrophobicContact CD1-CG 2.85Å; L673-P685 HydrophobicContact CD2-CB 3.78Å; L673-P685 HydrophobicContact CD2-CG 3.62Å; L673-P685 HydrophobicContact CG-CB 4.48Å; L673-P685 HydrophobicContact CG-CG 3.75Å; L680-P685 HydrophobicContact CD1-CB 4.19Å
686	F	70.1	Confident	61.6	Low	11 Å²	11	68.4 Å²	68.4	5%	0.048	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-70.6	133.8	177.1	-171.1	-104.5	0	0	0	109.9	F564 R567 V568 T571 E682 P684 V688 D690 I691	F564-F686 HydrophobicContact CD2-CD2 4.35Å; F564-F686 HydrophobicContact CE2-CD2 4.37Å; R567-F686 HydrophobicContact CB-CD2 3.84Å; R567-F686 HydrophobicContact CB-CE2 3.67Å; R567-F686 HydrophobicContact CB-CZ 4.36Å; V568-F686 HydrophobicContact CG2-CD2 4.08Å; V568-F686 HydrophobicContact CG2-CE2 3.87Å; T571-F686 VanDerWaalsContact OG1-CZ 3.32Å; T571-F686 WeakPolarHBondContact OG1-CZ 3.37Å; E682-F686 WeakPolarHBondContact OE1-CB 3.45Å; E682-F686 PolarHBondContact OE1-N 3.26Å; P684-F686 PolarHBondContact O-N 3.49Å; F686-V688 PolarHBondContact O-N 2.65Å; F686-D690 HydrophobicContact CD1-CB 4.24Å; F686-D690 VanDerWaalsContact CE1-C 3.47Å; F686-D690 HydrophobicContact CE1-CB 3.22Å; F686-D690 HydrophobicContact CE2-CB 4.29Å; F686-D690 HydrophobicContact CZ-CB 3.25Å; F686-I691 HydrophobicContact CD1-CG1 3.92Å; F686-I691 HydrophobicContact CE1-CG1 4.15Å
687	P	66.6	Low	62.2	Low	44 Å²	44	66.5 Å²	66.5	29%	0.286	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-59	128.6	-179.6	-14.7	20.5	0	0	0	111.8	E689 D690	P687-E689 PolarHBondContact O-N 3.11Å; P687-D690 HydrophobicContact CB-CB 4.5Å; P687-D690 PolarHBondContact O-N 3.32Å
688	V	63	Low	63.1	Low	116 Å²	116	64 Å²	64	70%	0.703	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-59.9	-27.9	-178.6	-179.4	0	0	0	0	109.4	F686 D690 I691	F686-V688 PolarHBondContact O-N 2.65Å; V688-D690 PolarHBondContact O-N 3.29Å; V688-D690 VanDerWaalsContact O-N 3.17Å; V688-I691 HydrophobicContact CB-CD1 4.38Å; V688-I691 HydrophobicContact CG1-CD1 4.14Å; V688-I691 PolarHBondContact O-N 2.92Å
689	E	62.6	Low	63.7	Low	153 Å²	153	64 Å²	64	72%	0.715	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-68.1	-20.3	-177.8	-63.1	167.5	-173	0	0	111.1	P687 T692 Y693	P687-E689 PolarHBondContact O-N 3.11Å; E689-T692 PolarHBondContact O-OG1 2.92Å; E689-Y693 WeakPolarHBondContact O-CE2 3.48Å
690	D	65.7	Low	64.2	Low	12 Å²	12	63.5 Å²	63.5	6%	0.064	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-97.1	-2.1	-175.1	-73	-16.7	0	0	0	111	T571 R663 F686 P687 V688 T692 Y693	T571-D690 HydrophobicContact CG2-CB 4.16Å; R663-D690 IonicContact CZ-OD1 3.96Å; R663-D690 IonicContact NH1-OD1 3.93Å; R663-D690 PolarHBondContact NH1-OD1 2.82Å; R663-D690 IonicContact NH2-OD1 3.1Å; R663-D690 IonicContact NH2-OD2 4Å; F686-D690 HydrophobicContact CD1-CB 4.24Å; F686-D690 VanDerWaalsContact CE1-C 3.47Å; F686-D690 HydrophobicContact CE1-CB 3.22Å; F686-D690 HydrophobicContact CE2-CB 4.29Å; F686-D690 HydrophobicContact CZ-CB 3.25Å; P687-D690 HydrophobicContact CB-CB 4.5Å; P687-D690 PolarHBondContact O-N 3.32Å; V688-D690 PolarHBondContact O-N 3.29Å; V688-D690 VanDerWaalsContact O-N 3.17Å; D690-T692 PolarHBondContact O-N 3.37Å; D690-Y693 PolarHBondContact O-N 3.38Å
691	I	62.2	Low	64.4	Low	70 Å²	70	63.8 Å²	63.8	36%	0.359	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-69.9	-31	-177.1	-69.2	169.6	0	0	0	109.2	F686 V688 Y693 E694	F686-I691 HydrophobicContact CD1-CG1 3.92Å; F686-I691 HydrophobicContact CE1-CG1 4.15Å; V688-I691 HydrophobicContact CB-CD1 4.38Å; V688-I691 HydrophobicContact CG1-CD1 4.14Å; V688-I691 PolarHBondContact O-N 2.92Å; I691-Y693 PolarHBondContact O-N 2.76Å; I691-Y693 VanDerWaalsContact O-N 3.13Å; I691-E694 PolarHBondContact O-N 3.26Å
692	T	61	Low	64.7	Low	88 Å²	88	62.9 Å²	62.9	54%	0.54	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-70.2	-12.8	-176.6	54.4	0	0	0	0	110.5	E689 D690	E689-T692 PolarHBondContact O-OG1 2.92Å; D690-T692 PolarHBondContact O-N 3.37Å
693	Y	63.2	Low	64.7	Low	8 Å²	8	67.2 Å²	67.2	3%	0.031	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-100.1	-8.1	-173.9	-62	-74.2	0	0	0	110.5	L574 L575 S622 Q625 A626 E689 D690 I691 I696	L574-Y693 WeakPolarHBondContact CD1-O 3.4Å; L575-Y693 HydrophobicContact CD2-CD1 4.17Å; L575-Y693 HydrophobicContact CD2-CE1 4.49Å; S622-Y693 WeakPolarHBondContact O-CE1 3.43Å; Q625-Y693 PolarHBondContact O-OH 3.32Å; A626-Y693 WeakPolarHBondContact CA-OH 2.84Å; A626-Y693 HydrophobicContact CB-CD1 4.2Å; A626-Y693 HydrophobicContact CB-CD2 4.32Å; A626-Y693 HydrophobicContact CB-CE1 3.41Å; A626-Y693 VanDerWaalsContact CB-CE1 3.41Å; A626-Y693 HydrophobicContact CB-CE2 3.56Å; A626-Y693 WeakPolarHBondContact CB-OH 3.37Å; A626-Y693 PolarHBondContact N-OH 3.45Å; E689-Y693 WeakPolarHBondContact O-CE2 3.48Å; D690-Y693 PolarHBondContact O-N 3.38Å; I691-Y693 PolarHBondContact O-N 2.76Å; I691-Y693 VanDerWaalsContact O-N 3.13Å; Y693-I696 HydrophobicContact CD1-CD1 3.62Å; Y693-I696 HydrophobicContact CG-CD1 4.33Å
694	E	62.6	Low	64.6	Low	10 Å²	10	64.4 Å²	64.4	5%	0.047	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	0	177.3	-78.3	-176.5	-179.4	0	0	111	K534 R567 L570 I691	K534-E694 IonicContact NZ-OE2 3.22Å; K534-E694 PolarHBondContact NZ-OE2 3.49Å; R567-E694 WeakPolarHBondContact CB-OE1 3.32Å; R567-E694 WeakPolarHBondContact CG-OE1 3.49Å; R567-E694 IonicContact CZ-OE1 3.73Å; R567-E694 IonicContact CZ-OE2 2.83Å; R567-E694 IonicContact NE-OE1 3.46Å; R567-E694 PolarHBondContact NE-OE1 2.93Å; R567-E694 IonicContact NE-OE2 3.87Å; R567-E694 IonicContact NH2-OE1 3.16Å; R567-E694 PolarHBondContact NH2-OE1 2.96Å; R567-E694 IonicContact NH2-OE2 3.99Å; R567-E694 PolarHBondContact NH2-OE2 3.42Å; L570-E694 HydrophobicContact CD2-CG 4.39Å; I691-E694 PolarHBondContact O-N 3.26Å
695	N	60.9	Low	64.8	Low	129 Å²	129	62.9 Å²	62.9	69%	0.69	33%	0.334	S	S	*	.	S	Bend		0	13.9	0	-71.7	-29.6	0	0	0	110.3	N697	N695-N697 PolarHBondContact O-N 3.17Å
696	I	63.1	Low	65.5	Low	50 Å²	50	65.7 Å²	65.7	26%	0.256	35%	0.345	S	S	.	.			trans	-66.1	116.5	-178.7	-65.1	170.2	0	0	0	108.9	Y693 D698 F701	Y693-I696 HydrophobicContact CD1-CD1 3.62Å; Y693-I696 HydrophobicContact CG-CD1 4.33Å; I696-D698 PolarHBondContact O-N 2.94Å; I696-D698 VanDerWaalsContact O-N 3.12Å; I696-F701 HydrophobicContact CG2-CE2 4.39Å
697	N	57.4	Low	65.8	Low	99 Å²	99	71.6 Å²	71.6	53%	0.529	37%	0.371	S	S	.	.			trans	-55	99.3	177.1	-143.6	2.8	0	0	0	111.2	N695 N699	N695-N697 PolarHBondContact O-N 3.17Å; N697-N699 PolarHBondContact O-N 3.37Å; N697-N699 PolarHBondContact OD1-ND2 2.96Å
698	D	60.4	Low	66.1	Low	13 Å²	13	70.3 Å²	70.3	7%	0.07	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-8	178	-75.8	-15.7	0	0	0	111	R531 I696 I700 F701 Q702	R531-D698 IonicContact CZ-OD2 2.84Å; R531-D698 IonicContact NH1-OD2 2.99Å; R531-D698 IonicContact NH2-OD2 3.48Å; R531-D698 PolarHBondContact NH2-OD2 2.9Å; R531-D698 VanDerWaalsContact NH2-OD2 3.16Å; I696-D698 PolarHBondContact O-N 2.94Å; I696-D698 VanDerWaalsContact O-N 3.12Å; D698-I700 PolarHBondContact O-N 3.42Å; D698-F701 PolarHBondContact O-N 2.94Å; D698-Q702 PolarHBondContact O-N 2.99Å
699	N	59.7	Low	67	Low	114 Å²	114	68.2 Å²	68.2	61%	0.61	34%	0.341	S	S	*	.	H	α-helix	trans	-81.9	-18.7	-170	-68.7	-34.3	0	0	0	111	N697 F701 Q702	N697-N699 PolarHBondContact O-N 3.37Å; N697-N699 PolarHBondContact OD1-ND2 2.96Å; N699-F701 PolarHBondContact O-N 3.41Å; N699-Q702 PolarHBondContact O-N 3.32Å
700	I	61	Low	67.6	Low	112 Å²	112	67.2 Å²	67.2	57%	0.574	34%	0.336	S	S	*	.	H	α-helix	trans	-75.6	-26	-174.9	-70.8	167	0	0	0	109.3	D698	D698-I700 PolarHBondContact O-N 3.42Å
701	F	65.3	Low	67.8	Low	47 Å²	47	70.2 Å²	70.2	21%	0.206	35%	0.35	C	S	.	.	H	α-helix	trans	-91.2	-17.8	-176.5	-67.2	-72	0	0	0	110.6	T581 I696 D698 N699 L703 D704 I705	T581-F701 HydrophobicContact CG2-CB 4.03Å; T581-F701 HydrophobicContact CG2-CD1 3.76Å; T581-F701 HydrophobicContact CG2-CG 4.18Å; I696-F701 HydrophobicContact CG2-CE2 4.39Å; D698-F701 PolarHBondContact O-N 2.94Å; N699-F701 PolarHBondContact O-N 3.41Å; F701-L703 VanDerWaalsContact C-N 3.28Å; F701-L703 PolarHBondContact O-N 3.47Å; F701-D704 PolarHBondContact O-N 3.24Å; F701-I705 WeakPolarHBondContact O-CD1 3.49Å; F701-I705 WeakPolarHBondContact O-CG1 3.35Å; F701-I705 PolarHBondContact O-N 3.44Å
702	Q	72.2	Confident	68.2	Low	47 Å²	47	67.4 Å²	67.4	22%	0.22	34%	0.336	C	S	.	.	H	α-helix	trans	-72	-35.3	-174.8	-172.3	63.5	18	0	0	111	D698 N699 D704 I705 E706	D698-Q702 PolarHBondContact O-N 2.99Å; N699-Q702 PolarHBondContact O-N 3.32Å; Q702-D704 PolarHBondContact O-N 3Å; Q702-I705 PolarHBondContact O-N 3.35Å; Q702-E706 WeakPolarHBondContact O-CB 3.42Å; Q702-E706 VanDerWaalsContact O-CG 3.29Å; Q702-E706 WeakPolarHBondContact O-CG 3.41Å; Q702-E706 PolarHBondContact O-N 3.49Å
703	L	71.8	Confident	68.6	Low	108 Å²	108	69 Å²	69	57%	0.565	34%	0.337	S	S	*	.	H	α-helix	trans	-66.6	-38.2	179.5	-74.8	169.8	0	0	0	110.6	F701 I705 E706 K707	F701-L703 VanDerWaalsContact C-N 3.28Å; F701-L703 PolarHBondContact O-N 3.47Å; L703-I705 VanDerWaalsContact C-N 3.27Å; L703-I705 PolarHBondContact O-N 2.93Å; L703-E706 PolarHBondContact O-N 3.44Å; L703-K707 VanDerWaalsContact O-CG 3.28Å; L703-K707 WeakPolarHBondContact O-CG 3.35Å; L703-K707 PolarHBondContact O-N 3.4Å
704	D	69.3	Low	68.8	Low	62 Å²	62	72.3 Å²	72.3	33%	0.332	36%	0.361	S	S	.	.	H	α-helix	trans	-66.8	-35.9	178.3	-70.9	-20.5	0	0	0	111	F701 Q702 E706 K707 I708	F701-D704 PolarHBondContact O-N 3.24Å; Q702-D704 PolarHBondContact O-N 3Å; D704-E706 VanDerWaalsContact C-N 3.26Å; D704-E706 PolarHBondContact O-N 2.98Å; D704-K707 PolarHBondContact O-N 2.75Å; D704-I708 VanDerWaalsContact O-CG1 3.27Å; D704-I708 WeakPolarHBondContact O-CG1 3.38Å; D704-I708 PolarHBondContact O-N 2.94Å; D704-I708 VanDerWaalsContact O-N 3.12Å
705	I	77.5	Confident	68.8	Low	3 Å²	3	73.2 Å²	73.2	2%	0.015	37%	0.365	C	S	.	.	H	α-helix	trans	-69.9	-38.3	-179.1	-67.9	172.6	0	0	0	109.7	L517 L520 T581 F701 Q702 L703 K707 I708 R709	L517-I705 HydrophobicContact CD2-CG2 3.74Å; L520-I705 HydrophobicContact CD1-CD1 4.01Å; L520-I705 HydrophobicContact CD1-CG1 4.41Å; L520-I705 HydrophobicContact CD1-CG2 4.4Å; T581-I705 HydrophobicContact CG2-CD1 4.28Å; T581-I705 HydrophobicContact CG2-CG1 4.19Å; F701-I705 WeakPolarHBondContact O-CD1 3.49Å; F701-I705 WeakPolarHBondContact O-CG1 3.35Å; F701-I705 PolarHBondContact O-N 3.44Å; Q702-I705 PolarHBondContact O-N 3.35Å; L703-I705 VanDerWaalsContact C-N 3.27Å; L703-I705 PolarHBondContact O-N 2.93Å; I705-K707 PolarHBondContact O-N 2.6Å; I705-I708 PolarHBondContact O-N 3.39Å; I705-R709 WeakPolarHBondContact O-CB 3.29Å; I705-R709 PolarHBondContact O-N 2.82Å
706	E	79.8	Confident	68.8	Low	84 Å²	84	69 Å²	69	39%	0.393	35%	0.346	S	S	.	.	H	α-helix	trans	-71.1	-32.8	-178.4	-77.4	176.2	-179.1	0	0	110.4	Q702 L703 D704 I708 R709 E710	Q702-E706 WeakPolarHBondContact O-CB 3.42Å; Q702-E706 VanDerWaalsContact O-CG 3.29Å; Q702-E706 WeakPolarHBondContact O-CG 3.41Å; Q702-E706 PolarHBondContact O-N 3.49Å; L703-E706 PolarHBondContact O-N 3.44Å; D704-E706 VanDerWaalsContact C-N 3.26Å; D704-E706 PolarHBondContact O-N 2.98Å; E706-I708 VanDerWaalsContact C-N 3.32Å; E706-R709 PolarHBondContact O-N 2.98Å; E706-E710 WeakPolarHBondContact O-CG 3.47Å; E706-E710 PolarHBondContact O-N 3.37Å
707	K	76.5	Confident	68.4	Low	135 Å²	135	69.8 Å²	69.8	59%	0.587	36%	0.356	S	S	*	.	H	α-helix	trans	-65.1	-43.5	176.9	-78.4	-177.3	-172.9	177.9	0	110.6	L703 D704 I705 R709 E710 Q711	L703-K707 VanDerWaalsContact O-CG 3.28Å; L703-K707 WeakPolarHBondContact O-CG 3.35Å; L703-K707 PolarHBondContact O-N 3.4Å; D704-K707 PolarHBondContact O-N 2.75Å; I705-K707 PolarHBondContact O-N 2.6Å; K707-R709 VanDerWaalsContact C-N 3.31Å; K707-E710 PolarHBondContact O-N 3.03Å; K707-Q711 WeakPolarHBondContact O-CG 3.39Å; K707-Q711 PolarHBondContact O-N 3.25Å
708	I	73.8	Confident	68.4	Low	16 Å²	16	68.9 Å²	68.9	8%	0.082	35%	0.345	C	S	.	.	H	α-helix	trans	-67.6	-38.2	179.2	-67.7	172.6	0	0	0	109.6	L584 H588 D704 I705 E706 E710 Q711 L712	L584-I708 HydrophobicContact CD1-CG2 4.44Å; L584-I708 HydrophobicContact CD2-CD1 4.23Å; L584-I708 HydrophobicContact CD2-CG2 4.39Å; L584-I708 HydrophobicContact CG-CD1 4.11Å; L584-I708 HydrophobicContact CG-CG2 4.39Å; H588-I708 HydrophobicContact CB-CD1 4.31Å; D704-I708 VanDerWaalsContact O-CG1 3.27Å; D704-I708 WeakPolarHBondContact O-CG1 3.38Å; D704-I708 PolarHBondContact O-N 2.94Å; D704-I708 VanDerWaalsContact O-N 3.12Å; I705-I708 PolarHBondContact O-N 3.39Å; E706-I708 VanDerWaalsContact C-N 3.32Å; I708-E710 VanDerWaalsContact C-N 3.33Å; I708-Q711 WeakPolarHBondContact O-CB 3.23Å; I708-Q711 PolarHBondContact O-N 2.86Å; I708-Q711 VanDerWaalsContact O-N 3.17Å; I708-L712 HydrophobicContact CG2-CD1 3.98Å; I708-L712 PolarHBondContact O-N 2.91Å
709	R	80.3	Confident	68.2	Low	72 Å²	72	68.8 Å²	68.8	27%	0.272	35%	0.345	S	S	.	.	H	α-helix	trans	-58.5	-47.2	176.3	-176	-176.1	-70.3	-86.7	0.4	111.4	D521 I705 E706 K707 Q711 L712 Q713	D521-R709 VanDerWaalsContact CG-NH2 3.27Å; D521-R709 IonicContact OD1-NH2 3.97Å; D521-R709 PolarHBondContact OD1-NH2 3.39Å; D521-R709 IonicContact OD2-CZ 3.92Å; D521-R709 IonicContact OD2-NH1 3.75Å; D521-R709 IonicContact OD2-NH2 3.7Å; D521-R709 PolarHBondContact OD2-NH2 3.39Å; I705-R709 WeakPolarHBondContact O-CB 3.29Å; I705-R709 PolarHBondContact O-N 2.82Å; E706-R709 PolarHBondContact O-N 2.98Å; K707-R709 VanDerWaalsContact C-N 3.31Å; R709-Q711 PolarHBondContact O-N 3.46Å; R709-L712 PolarHBondContact O-N 2.83Å; R709-Q713 WeakPolarHBondContact O-CB 3.24Å; R709-Q713 WeakPolarHBondContact O-CG 3.34Å; R709-Q713 PolarHBondContact O-N 3.44Å
710	E	76.7	Confident	67.9	Low	132 Å²	132	68.5 Å²	68.5	62%	0.617	34%	0.342	S	S	*	.	H	α-helix	trans	-61.7	-32.5	-179.8	-74.7	179.4	-179.5	0	0	110.6	E706 K707 I708 S714	E706-E710 WeakPolarHBondContact O-CG 3.47Å; E706-E710 PolarHBondContact O-N 3.37Å; K707-E710 PolarHBondContact O-N 3.03Å; I708-E710 VanDerWaalsContact C-N 3.33Å; E710-S714 PolarHBondContact O-N 3.48Å
711	Q	69.4	Low	67.4	Low	76 Å²	76	66.8 Å²	66.8	36%	0.355	34%	0.335	S	S	.	.	H	α-helix	trans	-74.2	-41.7	-179.7	-81.8	178.1	-16.8	0	0	110.8	H588 K707 I708 R709 Q713 S714 Q715	H588-Q711 PolarHBondContact CE1-OE1 3.45Å; H588-Q711 PolarHBondContact NE2-OE1 3.43Å; K707-Q711 WeakPolarHBondContact O-CG 3.39Å; K707-Q711 PolarHBondContact O-N 3.25Å; I708-Q711 WeakPolarHBondContact O-CB 3.23Å; I708-Q711 PolarHBondContact O-N 2.86Å; I708-Q711 VanDerWaalsContact O-N 3.17Å; R709-Q711 PolarHBondContact O-N 3.46Å; Q711-Q713 VanDerWaalsContact C-N 3.27Å; Q711-S714 VanDerWaalsContact CA-OG 3.29Å; Q711-S714 WeakPolarHBondContact CA-OG 3.38Å; Q711-S714 WeakPolarHBondContact O-CB 3.35Å; Q711-S714 PolarHBondContact O-N 3.43Å; Q711-S714 PolarHBondContact O-OG 3.28Å; Q711-Q715 VanDerWaalsContact O-CG 3.26Å; Q711-Q715 WeakPolarHBondContact O-CG 3.48Å; Q711-Q715 PolarHBondContact O-N 2.81Å
712	L	70.2	Confident	66.7	Low	11 Å²	11	66.9 Å²	66.9	6%	0.058	34%	0.341	C	S	.	.	H	α-helix	trans	-64.1	-41.7	177.1	-93	158.4	0	0	0	111.1	Y510 K513 L517 I708 R709 S714 Q715 S716	Y510-L712 HydrophobicContact CD2-CD2 3.9Å; Y510-L712 HydrophobicContact CE2-CD2 4.22Å; K513-L712 HydrophobicContact CB-CD1 3.74Å; K513-L712 HydrophobicContact CB-CD2 4.14Å; K513-L712 HydrophobicContact CD-CD1 3.96Å; K513-L712 HydrophobicContact CD-CD2 3.82Å; K513-L712 HydrophobicContact CD-CG 4.17Å; K513-L712 HydrophobicContact CG-CD1 4.43Å; L517-L712 HydrophobicContact CD1-CD1 3.48Å; L517-L712 VanDerWaalsContact CD1-CD1 3.48Å; I708-L712 HydrophobicContact CG2-CD1 3.98Å; I708-L712 PolarHBondContact O-N 2.91Å; R709-L712 PolarHBondContact O-N 2.83Å; L712-S714 PolarHBondContact O-N 3Å; L712-Q715 CarbonylContact O-C 2.74Å; L712-Q715 WeakPolarHBondContact O-CB 3.33Å; L712-Q715 PolarHBondContact O-N 3.35Å; L712-S716 PolarHBondContact O-N 3.38Å
713	Q	70	Confident	65.5	Low	121 Å²	121	69 Å²	69	57%	0.565	35%	0.351	S	S	*	.	H	α-helix	trans	-59.3	-36.6	176.3	-81	177.1	-3.4	0	0	111.1	R709 Q711 Q715 S716	R709-Q713 WeakPolarHBondContact O-CB 3.24Å; R709-Q713 WeakPolarHBondContact O-CG 3.34Å; R709-Q713 PolarHBondContact O-N 3.44Å; Q711-Q713 VanDerWaalsContact C-N 3.27Å; Q713-Q715 VanDerWaalsContact C-N 3.32Å; Q713-S716 PolarHBondContact O-OG 3.41Å
714	S	67.6	Low	64.5	Low	77 Å²	77	67.9 Å²	67.9	54%	0.538	35%	0.346	S	S	.	.	H	α-helix	trans	-68.6	-32.5	176.1	65.2	0	0	0	0	110.9	E710 Q711 L712	E710-S714 PolarHBondContact O-N 3.48Å; Q711-S714 VanDerWaalsContact CA-OG 3.29Å; Q711-S714 WeakPolarHBondContact CA-OG 3.38Å; Q711-S714 WeakPolarHBondContact O-CB 3.35Å; Q711-S714 PolarHBondContact O-N 3.43Å; Q711-S714 PolarHBondContact O-OG 3.28Å; L712-S714 PolarHBondContact O-N 3Å
715	Q	62.3	Low	63.4	Low	30 Å²	30	69.9 Å²	69.9	14%	0.14	36%	0.357	C	S	.	.	H	α-helix	trans	-76.3	-34.5	-179.2	-74.9	-174	-12.4	0	0	110.7	Q711 L712 Q713 S717 W718 I719	Q711-Q715 VanDerWaalsContact O-CG 3.26Å; Q711-Q715 WeakPolarHBondContact O-CG 3.48Å; Q711-Q715 PolarHBondContact O-N 2.81Å; L712-Q715 CarbonylContact O-C 2.74Å; L712-Q715 WeakPolarHBondContact O-CB 3.33Å; L712-Q715 PolarHBondContact O-N 3.35Å; Q713-Q715 VanDerWaalsContact C-N 3.32Å; Q715-S717 PolarHBondContact O-N 2.75Å; Q715-S717 VanDerWaalsContact O-N 3.12Å; Q715-W718 HydrophobicContact CB-CD2 4.39Å; Q715-W718 HydrophobicContact CB-CG 4.16Å; Q715-W718 HydrophobicContact CB-CZ2 4.01Å; Q715-W718 VanDerWaalsContact CG-CD1 3.48Å; Q715-W718 HydrophobicContact CG-CZ2 4.25Å; Q715-W718 PolarHBondContact O-N 3Å; Q715-W718 PolarHBondContact O-NE1 3.32Å; Q715-I719 PolarHBondContact O-N 3.46Å
716	S	59.8	Low	61.7	Low	39 Å²	39	74.4 Å²	74.4	27%	0.273	38%	0.381	S	S	.	.	H	α-helix	trans	-49	0	177.6	72.2	0	0	0	0	111.5	L712 Q713 L720	L712-S716 PolarHBondContact O-N 3.38Å; Q713-S716 PolarHBondContact O-OG 3.41Å; S716-L720 WeakPolarHBondContact O-CB 3.29Å; S716-L720 PolarHBondContact O-N 2.95Å
717	S	56.5	Low	59.9	Low	68 Å²	68	74.2 Å²	74.2	48%	0.476	39%	0.389	S	S	.	.	H	α-helix		0	0	0	178.8	0	0	0	0	110.8	Q715 D721	Q715-S717 PolarHBondContact O-N 2.75Å; Q715-S717 VanDerWaalsContact O-N 3.12Å; S717-D721 VanDerWaalsContact O-CB 3.27Å; S717-D721 WeakPolarHBondContact O-CB 3.44Å; S717-D721 PolarHBondContact O-N 3.34Å; S717-D721 VanDerWaalsContact O-OD1 3.11Å
718	W	56.5	Low	58	Low	79 Å²	79	73.8 Å²	73.8	30%	0.299	39%	0.393	S	S	.	.	H	α-helix		0	-35.1	0	67	-86.4	0	0	0	110.3	I506 Q715 D721 C722	I506-W718 HydrophobicContact CG2-CH2 3.61Å; I506-W718 HydrophobicContact CG2-CZ2 4.33Å; I506-W718 HydrophobicContact CG2-CZ3 4.34Å; Q715-W718 HydrophobicContact CB-CD2 4.39Å; Q715-W718 HydrophobicContact CB-CG 4.16Å; Q715-W718 HydrophobicContact CB-CZ2 4.01Å; Q715-W718 VanDerWaalsContact CG-CD1 3.48Å; Q715-W718 HydrophobicContact CG-CZ2 4.25Å; Q715-W718 PolarHBondContact O-N 3Å; Q715-W718 PolarHBondContact O-NE1 3.32Å; W718-D721 CarbonylContact O-C 3.55Å; W718-D721 WeakPolarHBondContact O-CA 3.31Å; W718-D721 VanDerWaalsContact O-CB 3.24Å; W718-D721 WeakPolarHBondContact O-CB 3.18Å; W718-D721 PolarHBondContact O-N 3.26Å; W718-D721 VanDerWaalsContact O-N 3.16Å; W718-C722 WeakPolarHBondContact O-CB 3.15Å; W718-C722 PolarHBondContact O-N 2.81Å; W718-C722 PolarHBondContact O-SG 2.78Å
719	I	56.2	Low	56	Low	12 Å²	12	79.6 Å²	79.6	6%	0.062	42%	0.424	C	S	.	.	H	α-helix	trans	-72.6	0	178.7	-71.6	170.4	0	0	0	109.1	I506 Y510 Q715 D721 C722 M723	I506-I719 HydrophobicContact CG2-CD1 4.06Å; I506-I719 HydrophobicContact CG2-CG1 4.19Å; Y510-I719 HydrophobicContact CD2-CD1 3.66Å; Y510-I719 HydrophobicContact CE2-CD1 4.42Å; Y510-I719 HydrophobicContact CG-CD1 4.03Å; Q715-I719 PolarHBondContact O-N 3.46Å; I719-D721 PolarHBondContact O-N 3.49Å; I719-C722 CarbonylContact O-C 1.36Å; I719-C722 PolarHBondContact O-N 2.74Å; I719-C722 VanDerWaalsContact O-N 3.07Å; I719-M723 HydrophobicContact CG2-CG 4.2Å; I719-M723 HydrophobicContact CG2-SD 4.42Å; I719-M723 VanDerWaalsContact O-CB 3.32Å; I719-M723 WeakPolarHBondContact O-CB 3.26Å; I719-M723 WeakPolarHBondContact O-CG 3.22Å; I719-M723 PolarHBondContact O-N 3.44Å
720	L	52.9	Low	53.5	Low	107 Å²	107	82.8 Å²	82.8	56%	0.56	45%	0.447	S	S	*	.	H	α-helix		0	-29.4	0	-142.6	75.5	0	0	0	111.2	S716 N724	S716-L720 WeakPolarHBondContact O-CB 3.29Å; S716-L720 PolarHBondContact O-N 2.95Å; L720-N724 WeakPolarHBondContact O-CA 3.26Å; L720-N724 WeakPolarHBondContact O-CB 3.14Å; L720-N724 PolarHBondContact O-N 2.84Å; L720-N724 PolarHBondContact O-ND2 3.5Å
721	D	51.9	Low	51.6	Low	77 Å²	77	85.9 Å²	85.9	41%	0.412	45%	0.454	S	S	.	.	H	α-helix	trans	-77.2	-34.7	177.5	-75.8	-16.7	0	0	0	110.6	S717 W718 I719 N724 N725	S717-D721 VanDerWaalsContact O-CB 3.27Å; S717-D721 WeakPolarHBondContact O-CB 3.44Å; S717-D721 PolarHBondContact O-N 3.34Å; S717-D721 VanDerWaalsContact O-OD1 3.11Å; W718-D721 CarbonylContact O-C 3.55Å; W718-D721 WeakPolarHBondContact O-CA 3.31Å; W718-D721 VanDerWaalsContact O-CB 3.24Å; W718-D721 WeakPolarHBondContact O-CB 3.18Å; W718-D721 PolarHBondContact O-N 3.26Å; W718-D721 VanDerWaalsContact O-N 3.16Å; I719-D721 PolarHBondContact O-N 3.49Å; D721-N724 PolarHBondContact O-N 3.49Å; D721-N725 WeakPolarHBondContact O-CA 3.47Å; D721-N725 WeakPolarHBondContact O-CB 3.26Å; D721-N725 PolarHBondContact O-N 3.12Å; D721-N725 PolarHBondContact O-ND2 3.1Å; D721-N725 PolarHBondContact O-OD1 3.17Å
722	C	49.3	Very low	49.6	Very low	49 Å²	49	86.9 Å²	86.9	33%	0.331	46%	0.462	S	S	.	.	H	α-helix	trans	-72.2	0	176.8	-66.8	0	0	0	0	110.3	W718 I719 N725 D726	W718-C722 WeakPolarHBondContact O-CB 3.15Å; W718-C722 PolarHBondContact O-N 2.81Å; W718-C722 PolarHBondContact O-SG 2.78Å; I719-C722 CarbonylContact O-C 1.36Å; I719-C722 PolarHBondContact O-N 2.74Å; I719-C722 VanDerWaalsContact O-N 3.07Å; C722-N725 PolarHBondContact O-N 3.47Å; C722-D726 PolarHBondContact O-N 3.34Å
723	M	48.6	Very low	47.7	Very low	91 Å²	91	89.5 Å²	89.5	45%	0.448	48%	0.475	S	S	.	.	H	α-helix		0	0	0	-79	-168.6	107.7	0	0	110.4	I507 I719 N725 S727	I507-M723 HydrophobicContact CD1-CE 4.24Å; I719-M723 HydrophobicContact CG2-CG 4.2Å; I719-M723 HydrophobicContact CG2-SD 4.42Å; I719-M723 VanDerWaalsContact O-CB 3.32Å; I719-M723 WeakPolarHBondContact O-CB 3.26Å; I719-M723 WeakPolarHBondContact O-CG 3.22Å; I719-M723 PolarHBondContact O-N 3.44Å; M723-N725 VanDerWaalsContact C-N 3.29Å; M723-S727 PolarHBondContact O-N 3.05Å; M723-S727 PolarHBondContact O-OG 2.44Å
724	N	50	Low	45.8	Very low	85 Å²	85	85.5 Å²	85.5	46%	0.455	46%	0.458	S	S	.	.	H	α-helix		0	0	0	-83.9	-15.1	0	0	0	110.7	L720 D721 S727 N728	L720-N724 WeakPolarHBondContact O-CA 3.26Å; L720-N724 WeakPolarHBondContact O-CB 3.14Å; L720-N724 PolarHBondContact O-N 2.84Å; L720-N724 PolarHBondContact O-ND2 3.5Å; D721-N724 PolarHBondContact O-N 3.49Å; N724-S727 PolarHBondContact O-N 3.06Å; N724-N728 PolarHBondContact O-N 2.86Å
725	N	46.3	Very low	43.9	Very low	103 Å²	103	87.5 Å²	87.5	55%	0.551	46%	0.463	S	S	*	.	H	α-helix		0	-14	0	-77.5	-23.7	0	0	0	110.5	D721 C722 M723 S727 N728	D721-N725 WeakPolarHBondContact O-CA 3.47Å; D721-N725 WeakPolarHBondContact O-CB 3.26Å; D721-N725 PolarHBondContact O-N 3.12Å; D721-N725 PolarHBondContact O-ND2 3.1Å; D721-N725 PolarHBondContact O-OD1 3.17Å; C722-N725 PolarHBondContact O-N 3.47Å; M723-N725 VanDerWaalsContact C-N 3.29Å; N725-S727 VanDerWaalsContact C-N 3.31Å; N725-N728 PolarHBondContact O-N 2.75Å
726	D	41.7	Very low	42.2	Very low	98 Å²	98	90.4 Å²	90.4	52%	0.524	49%	0.492	S	S	.	.	H	α-helix	trans	-92.2	-10.5	174.4	-89.9	-15.8	0	0	0	110.4	L503 C722 N728	L503-D726 WeakPolarHBondContact CD1-OD2 3.47Å; C722-D726 PolarHBondContact O-N 3.34Å; D726-N728 VanDerWaalsContact C-N 3.26Å; D726-N728 PolarHBondContact O-N 3.46Å
727	S	42.6	Very low	40.7	Very low	81 Å²	81	93.7 Å²	93.7	57%	0.566	51%	0.514	S	S	*	.	H	α-helix	trans	-98.9	0	176.8	-8.7	0	0	0	0	110.2	M723 N724 N725	M723-S727 PolarHBondContact O-N 3.05Å; M723-S727 PolarHBondContact O-OG 2.44Å; N724-S727 PolarHBondContact O-N 3.06Å; N725-S727 VanDerWaalsContact C-N 3.31Å
728	N	35.7	Very low	39.3	Very low	125 Å²	125	96.6 Å²	96.6	67%	0.668	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn		0	34.9	0	-88.6	-14.3	0	0	0	109.6	N724 N725 D726 N730	N724-N728 PolarHBondContact O-N 2.86Å; N725-N728 PolarHBondContact O-N 2.75Å; D726-N728 VanDerWaalsContact C-N 3.26Å; D726-N728 PolarHBondContact O-N 3.46Å; N728-N730 PolarHBondContact O-N 2.85Å
729	N	32.6	Very low	37.9	Very low	139 Å²	139	97.7 Å²	97.7	74%	0.743	55%	0.549	S	S	*	.			trans	-107	54.8	164.5	-86.6	-13.7	0	0	0	110
730	N	27.7	Very low	36.4	Very low	138 Å²	138	104.9 Å²	104.9	74%	0.738	59%	0.588	S	S	*	*			trans	-146	0	163.4	-100.8	-7.1	0	0	0	109.8	N728	N728-N730 PolarHBondContact O-N 2.85Å
731	Y	35.7	Very low	34.9	Very low	197 Å²	197	110.9 Å²	110.9	77%	0.773	60%	0.603	S	S	*	*				0	0	0	-85.4	-76.3	0	0	0	109.5
732	D	28.7	Very low	33.6	Very low	98 Å²	98	112.1 Å²	112.1	52%	0.524	61%	0.614	S	S	.	*				0	0	0	-89.4	-21.5	0	0	0	110.2
733	I	30.3	Very low	32.4	Very low	66 Å²	66	118.1 Å²	118.1	34%	0.338	64%	0.637	S	S	.	*				0	0	0	-66	178.3	0	0	0	109.5	E472 F473 I474	E472-I733 HydrophobicContact CB-CG2 3.3Å; E472-I733 HydrophobicContact CG-CG2 3.2Å; F473-I733 CarbonylContact C-O 2.76Å; F473-I733 VanDerWaalsContact CA-CA 3.47Å; F473-I733 CovalentContact CA-O 1.8Å; F473-I733 WeakPolarHBondContact CA-O 2.95Å; F473-I733 HydrophobicContact CB-CB 3.64Å; F473-I733 HydrophobicContact CB-CG2 3.12Å; F473-I733 WeakPolarHBondContact CB-O 3.11Å; F473-I733 WeakPolarHBondContact CD1-O 3.31Å; F473-I733 CovalentContact CD2-C 1.56Å; F473-I733 HydrophobicContact CD2-CB 2.89Å; F473-I733 HydrophobicContact CD2-CG1 4.13Å; F473-I733 HydrophobicContact CD2-CG2 2.48Å; F473-I733 WeakPolarHBondContact CD2-O 3.38Å; F473-I733 VanDerWaalsContact CE1-O 3.23Å; F473-I733 WeakPolarHBondContact CE1-O 3.49Å; F473-I733 HydrophobicContact CE2-CB 3.73Å; F473-I733 HydrophobicContact CE2-CG2 3.58Å; F473-I733 WeakPolarHBondContact CE2-O 3.02Å; F473-I733 HydrophobicContact CG-CB 3.53Å; F473-I733 HydrophobicContact CG-CG2 3.19Å; F473-I733 WeakPolarHBondContact CG-O 3.47Å; F473-I733 PolarHBondContact N-O 3.27Å; I474-I733 WeakPolarHBondContact CG1-O 3.39Å; I474-I733 PolarHBondContact N-O 3.5Å
734	D	28.2	Very low	31	Very low	37 Å²	37	120.3 Å²	120.3	20%	0.198	66%	0.659	C	S	.	*				0	0	0	-77.7	-18.7	0	0	0	109.5	E472 F473 I474	E472-D734 WeakPolarHBondContact CA-OD2 3.36Å; E472-D734 HydrophobicContact CB-CB 4.19Å; E472-D734 WeakPolarHBondContact CB-OD2 3.41Å; E472-D734 HydrophobicContact CG-CB 3.43Å; E472-D734 VanDerWaalsContact CG-CB 3.43Å; E472-D734 CovalentContact CG-OD2 1.65Å; E472-D734 WeakPolarHBondContact CG-OD2 3.16Å; F473-D734 HydrophobicContact CB-CB 2.6Å; F473-D734 VanDerWaalsContact CB-CG 3.44Å; F473-D734 WeakPolarHBondContact CB-O 3.34Å; F473-D734 HydrophobicContact CD1-CB 2.88Å; F473-D734 CovalentContact CD1-O 1.64Å; F473-D734 WeakPolarHBondContact CD1-O 3.47Å; F473-D734 HydrophobicContact CD2-CB 1.72Å; F473-D734 CovalentContact CD2-N 1.26Å; F473-D734 WeakPolarHBondContact CD2-O 3.42Å; F473-D734 WeakPolarHBondContact CD2-OD1 3.5Å; F473-D734 WeakPolarHBondContact CD2-OD2 3.27Å; F473-D734 CovalentContact CE1-C 1.88Å; F473-D734 HydrophobicContact CE1-CB 3.45Å; F473-D734 VanDerWaalsContact CE1-CB 3.45Å; F473-D734 WeakPolarHBondContact CE1-O 3.43Å; F473-D734 CovalentContact CE2-CA 1.5Å; F473-D734 HydrophobicContact CE2-CB 2.54Å; F473-D734 CovalentContact CE2-N 1.2Å; F473-D734 WeakPolarHBondContact CE2-OD1 3.18Å; F473-D734 HydrophobicContact CG-CB 1.98Å; F473-D734 WeakPolarHBondContact CG-O 3.37Å; F473-D734 CovalentContact CZ-CA 1.8Å; F473-D734 HydrophobicContact CZ-CB 3.3Å; F473-D734 CovalentContact CZ-N 1.43Å; F473-D734 WeakPolarHBondContact CZ-O 3.13Å; I474-D734 WeakPolarHBondContact CD1-O 3.38Å; I474-D734 WeakPolarHBondContact CG1-O 3.39Å
735	N	29.6	Very low	29.7	Very low	119 Å²	119	121.8 Å²	121.8	64%	0.636	67%	0.672	S	S	*	*				0	0	0	-92.5	-3.1	0	0	0	109.8	E472	E472-N735 PolarHBondContact OE1-OD1 2.97Å
736	A	25.9	Very low	28.5	Very low	91 Å²	91	123.9 Å²	123.9	75%	0.752	68%	0.681	S	S	*	*				0	112.2	0	0	0	0	0	0	110.5
737	S	27.5	Very low	27.5	Very low	107 Å²	107	125.1 Å²	125.1	75%	0.748	69%	0.692	S	S	*	*				152.1	106.6	110.5	42.4	0	0	0	0	109.2
738	T	28.4	Very low	26.7	Very low	130 Å²	130	126.8 Å²	126.8	80%	0.798	70%	0.704	S	S	*	*				114.8	100.8	114.6	15.4	0	0	0	0	109.5
739	S	25.8	Very low	26.1	Very low	102 Å²	102	128.7 Å²	128.7	71%	0.713	71%	0.714	S	S	*	*				78.3	0	119.4	52.4	0	0	0	0	110.6
740	N	25.3	Very low	25.7	Very low	162 Å²	162	129.1 Å²	129.1	87%	0.866	72%	0.717	S	S	*	*				0	85.2	0	-87.9	-7	0	0	0	109.5
741	R	22	Very low	25.4	Very low	233 Å²	233	130.1 Å²	130.1	88%	0.879	72%	0.722	S	S	*	*				-11.6	107.9	115.6	-158.2	173.6	-174.1	177.8	-1.3	111.7
742	T	24.2	Very low	25	Very low	104 Å²	104	129 Å²	129	64%	0.638	73%	0.728	S	S	*	*				138.6	108.3	120.2	46.8	0	0	0	0	109.1
743	H	23.3	Very low	24.7	Very low	175 Å²	175	129.6 Å²	129.6	81%	0.81	73%	0.734	S	S	*	*				108.5	89.4	119.4	-89.6	-74.5	0	0	0	110
744	C	19.7	Very low	24.3	Very low	137 Å²	137	132.7 Å²	132.7	93%	0.926	75%	0.752	S	S	*	*			trans	-42.3	85.3	139.1	-111.7	0	0	0	0	111.3
745	T	21.6	Very low	24	Very low	116 Å²	116	138.6 Å²	138.6	71%	0.712	78%	0.776	S	S	*	*			trans	-121	116.4	146.1	25.7	0	0	0	0	109.2
746	I	21.1	Very low	23.8	Very low	147 Å²	147	143 Å²	143	75%	0.754	79%	0.785	S	S	*	*				53.1	0	119.6	-63.5	174.9	0	0	0	109.4
747	T	22.2	Very low	23.6	Very low	124 Å²	124	147 Å²	147	76%	0.761	79%	0.788	S	S	*	*				0	0	0	9.6	0	0	0	0	109.1
748	S	24.5	Very low	23.3	Very low	115 Å²	115	149.6 Å²	149.6	80%	0.804	79%	0.793	S	S	*	*				0	100.4	0	46.4	0	0	0	0	110.1
749	N	24	Very low	23	Very low	165 Å²	165	149.8 Å²	149.8	88%	0.882	79%	0.788	S	S	*	*			trans	-48.2	0	155.9	-88.3	-3.9	0	0	0	112.1
750	N	23	Very low	22.8	Very low	149 Å²	149	151 Å²	151	80%	0.797	79%	0.794	S	S	*	*				0	110.1	0	-87.2	-9.4	0	0	0	109.8
751	N	22.2	Very low	22.5	Very low	158 Å²	158	151.7 Å²	151.7	85%	0.845	79%	0.792	S	S	*	*			trans	160.6	111.8	132.6	-85	-10.1	0	0	0	109.6
752	I	27.4	Very low	22.5	Very low	175 Å²	175	149.4 Å²	149.4	90%	0.897	79%	0.791	S	S	*	*			trans	-118	0	152.1	-68.9	172.1	0	0	0	108.7
753	T	22.3	Very low	22.3	Very low	109 Å²	109	152.8 Å²	152.8	67%	0.669	80%	0.802	S	S	*	*				0	130.6	0	50.6	0	0	0	0	111.1
754	D	22.7	Very low	22.1	Very low	132 Å²	132	151.3 Å²	151.3	71%	0.706	80%	0.797	S	S	*	*				141.9	125	114.4	-87.2	-15.3	0	0	0	109.5
755	K	21.6	Very low	22.3	Very low	160 Å²	160	151.8 Å²	151.8	70%	0.696	79%	0.785	S	S	*	*				98	119.2	100.9	-90.5	-171.5	-175.6	-179.1	0	110.1
756	Y	24.3	Very low	22.3	Very low	211 Å²	211	152.6 Å²	152.6	83%	0.827	79%	0.785	S	S	*	*				143.2	115.7	116.8	-86.7	-81.6	0	0	0	109
757	H	22	Very low	22.3	Very low	175 Å²	175	153.9 Å²	153.9	81%	0.81	79%	0.788	S	S	*	*				1.1	107.1	114.3	-106.4	-20.8	0	0	0	112
758	N	22.3	Very low	22.2	Very low	163 Å²	163	152.1 Å²	152.1	87%	0.872	78%	0.781	S	S	*	*			trans	177.1	108.6	132	-94.1	-17.7	0	0	0	109.6
759	I	21.6	Very low	22	Very low	133 Å²	133	155.3 Å²	155.3	68%	0.682	78%	0.783	S	S	*	*			trans	-31.5	0	147.2	-61.7	167.4	0	0	0	110.5	Q761	I759-Q761 HydrophobicContact CG2-CB 4.01Å; I759-Q761 HydrophobicContact CG2-CG 4.06Å
760	P	21.3	Very low	21.9	Very low	129 Å²	129	152.7 Å²	152.7	84%	0.838	78%	0.777	S	S	*	*				0	116.5	0	26.3	1	0	0	0	111.6
761	Q	20.2	Very low	22.3	Very low	176 Å²	176	151.1 Å²	151.1	82%	0.822	78%	0.775	S	S	*	*				-21	100.7	123	-93.8	-176.8	-3.8	0	0	111.6	I759	I759-Q761 HydrophobicContact CG2-CB 4.01Å; I759-Q761 HydrophobicContact CG2-CG 4.06Å
762	E	20	Very low	22.2	Very low	185 Å²	185	151.6 Å²	151.6	86%	0.864	78%	0.776	S	S	*	*			trans	-148.1	106.5	139	-99.8	-175.4	176.9	0	0	109.7
763	M	20.7	Very low	21.8	Very low	175 Å²	175	152.5 Å²	152.5	86%	0.862	77%	0.774	S	S	*	*				73	108.5	101	-81.2	-156	164.8	0	0	110.1
764	M	20.4	Very low	22	Very low	143 Å²	143	152.3 Å²	152.3	70%	0.704	77%	0.774	S	S	*	*				132.7	107.8	108.8	-78.7	-106.3	103.5	0	0	109.2
765	H	23.5	Very low	21.9	Very low	147 Å²	147	153.2 Å²	153.2	68%	0.681	78%	0.779	S	S	*	*				127.9	101.6	108	-103.8	-35	0	0	0	109.7
766	N	20.5	Very low	22	Very low	134 Å²	134	152 Å²	152	72%	0.717	78%	0.784	S	S	*	*				61.2	110.5	96.1	-89.6	-12.2	0	0	0	111
767	Q	21.3	Very low	21.7	Very low	173 Å²	173	147.8 Å²	147.8	81%	0.808	78%	0.781	S	S	*	*				149.1	105.6	115.6	-93.6	-176.4	22.1	0	0	109.4
768	S	20.5	Very low	21.7	Very low	88 Å²	88	146.4 Å²	146.4	62%	0.615	79%	0.789	S	S	*	*				69.4	113.6	99.7	60.9	0	0	0	0	110.6
769	Q	20.6	Very low	21.6	Very low	182 Å²	182	144.4 Å²	144.4	85%	0.85	79%	0.788	S	S	*	*				100.3	105.3	110.4	-98.7	177.5	8.5	0	0	110
770	S	21.2	Very low	21.6	Very low	109 Å²	109	147.5 Å²	147.5	76%	0.762	80%	0.8	S	S	*	*				39	0	127.5	61.4	0	0	0	0	111.5
771	P	30.9	Very low	21.7	Very low	116 Å²	116	150.8 Å²	150.8	75%	0.753	80%	0.801	S	S	*	*				0	129.6	0	33.3	-4.6	0	0	0	112
772	I	21.7	Very low	21.6	Very low	168 Å²	168	148 Å²	148	86%	0.862	80%	0.801	S	S	*	*			trans	-137.5	0	161.1	-66.2	172.1	0	0	0	108.1
773	K	19	Very low	21.7	Very low	195 Å²	195	144.5 Å²	144.5	85%	0.848	79%	0.792	S	S	*	*				0	156.9	0	-80	-172.4	-178.4	178.6	0	111.9
774	P	26.5	Very low	21.6	Very low	104 Å²	104	142.1 Å²	142.1	68%	0.675	79%	0.787	S	S	*	*			cis	-144.9	147	13.8	33.5	-5.1	0	0	0	111.9
775	N	19.8	Very low	21.6	Very low	151 Å²	151	144.3 Å²	144.3	81%	0.807	79%	0.793	S	S	*	*				107.6	114.9	121.7	-90	-8.6	0	0	0	110.2
776	V	23.7	Very low	21.4	Very low	134 Å²	134	143.3 Å²	143.3	81%	0.812	80%	0.798	S	S	*	*				177.5	108.8	125.2	173.8	0	0	0	0	108
777	T	18.7	Very low	21.3	Very low	124 Å²	124	142.4 Å²	142.4	76%	0.761	80%	0.802	S	S	*	*				20.2	0	114.9	14.8	0	0	0	0	111
778	C	21	Very low	21.3	Very low	145 Å²	145	140.2 Å²	140.2	98%	0.98	80%	0.801	S	S	*	*				0	0	0	-89.9	0	0	0	0	108.8
779	S	20.3	Very low	21.3	Very low	122 Å²	122	143.4 Å²	143.4	85%	0.853	81%	0.811	S	S	*	*				0	105.9	0	72.7	0	0	0	0	110.1
780	E	22.2	Very low	21.3	Very low	197 Å²	197	139.3 Å²	139.3	92%	0.921	80%	0.802	S	S	*	*			trans	-99.1	0	166.6	-89.4	-176.8	177.2	0	0	110.1
781	K	21.7	Very low	21.4	Very low	199 Å²	199	141.2 Å²	141.2	87%	0.865	80%	0.802	S	S	*	*				0	98.7	0	-77.9	-173.9	-178	-179.2	0	110.6
782	S	18.7	Very low	21	Very low	117 Å²	117	143.9 Å²	143.9	82%	0.818	80%	0.804	S	S	*	*			trans	-47.8	0	133.8	61.1	0	0	0	0	111.5
783	V	21.7	Very low	20.9	Very low	111 Å²	111	143.6 Å²	143.6	67%	0.673	80%	0.804	S	S	*	*				0	103.2	0	176.4	0	0	0	0	108.2	F785	V783-F785 HydrophobicContact CG1-CD2 3.49Å; V783-F785 VanDerWaalsContact CG1-CD2 3.49Å; V783-F785 HydrophobicContact CG1-CE2 3.33Å; V783-F785 HydrophobicContact CG1-CZ 4.3Å
784	T	18.8	Very low	21.1	Very low	125 Å²	125	138 Å²	138	77%	0.767	80%	0.802	S	S	*	*			trans	-41.6	114	137.5	-37.7	0	0	0	0	111.2
785	F	20.1	Very low	20.9	Very low	190 Å²	190	140.5 Å²	140.5	83%	0.833	81%	0.81	S	S	*	*			trans	-117.1	101.8	163.6	-94.7	-82.1	0	0	0	109.3	V783	V783-F785 HydrophobicContact CG1-CD2 3.49Å; V783-F785 VanDerWaalsContact CG1-CD2 3.49Å; V783-F785 HydrophobicContact CG1-CE2 3.33Å; V783-F785 HydrophobicContact CG1-CZ 4.3Å
786	T	20.6	Very low	21.1	Very low	125 Å²	125	141.4 Å²	141.4	77%	0.767	81%	0.813	S	S	*	*			trans	-49.1	0	140.6	43	0	0	0	0	111.2
787	S	17.4	Very low	21	Very low	115 Å²	115	143.5 Å²	143.5	80%	0.804	82%	0.816	S	S	*	*				0	0	0	-60.7	0	0	0	0	111.8
788	T	21.4	Very low	21.3	Very low	128 Å²	128	145.4 Å²	145.4	79%	0.785	82%	0.816	S	S	*	*				0	0	0	53.9	0	0	0	0	108.9
789	N	21.6	Very low	21.3	Very low	154 Å²	154	148 Å²	148	82%	0.824	81%	0.811	S	S	*	*				0	0	0	-88.2	-8	0	0	0	110.5
790	S	21	Very low	21.3	Very low	97 Å²	97	152.3 Å²	152.3	68%	0.678	81%	0.814	S	S	*	*				0	122	0	92.9	0	0	0	0	110.6
791	I	22	Very low	21.3	Very low	148 Å²	148	146.4 Å²	146.4	76%	0.759	81%	0.807	S	S	*	*				109	113.3	112.4	-65.1	173.5	0	0	0	108.5
792	H	22.2	Very low	21.2	Very low	173 Å²	173	145.5 Å²	145.5	80%	0.801	81%	0.806	S	S	*	*				145.9	106.1	123.8	-143.3	42.3	0	0	0	109.4
793	N	21.1	Very low	21.4	Very low	161 Å²	161	146.5 Å²	146.5	86%	0.861	81%	0.807	S	S	*	*				18.9	0	116.3	-87	-9.5	0	0	0	111.8
794	G	22.5	Very low	21.3	Very low	77 Å²	77	149.5 Å²	149.5	79%	0.794	82%	0.818	S	S	*	*				0	102.3	0	0	0	0	0	0	109.9
795	N	21.8	Very low	21.6	Very low	157 Å²	157	153.6 Å²	153.6	84%	0.84	83%	0.826	S	S	*	*				-0.8	0	117.2	-82.5	-7.2	0	0	0	111.9
796	I	24.3	Very low	21.6	Very low	171 Å²	171	154.2 Å²	154.2	88%	0.877	83%	0.828	S	S	*	*				0	99.8	0	-68.2	173.7	0	0	0	107.8
797	M	22.5	Very low	21.9	Very low	177 Å²	177	152.6 Å²	152.6	87%	0.872	82%	0.819	S	S	*	*			trans	-90.5	110.2	137.5	-119.2	-177.6	79.8	0	0	110.3
798	E	23.5	Very low	22.2	Very low	164 Å²	164	155.4 Å²	155.4	77%	0.766	82%	0.817	S	S	*	*				59.9	108.1	96.3	-99.8	-172.5	176.6	0	0	110.6
799	K	21.3	Very low	22.3	Very low	200 Å²	200	155.8 Å²	155.8	87%	0.87	81%	0.81	S	S	*	*				40.7	0	99.2	-95.9	-171	-176.9	-179.2	0	111.2
800	F	20.5	Very low	22.2	Very low	212 Å²	212	153.3 Å²	153.3	93%	0.93	80%	0.797	S	S	*	*				0	107.7	0	-97.4	-83	0	0	0	109.1
801	G	22.1	Very low	22.3	Very low	74 Å²	74	155.5 Å²	155.5	76%	0.763	80%	0.796	S	S	*	*				160.2	109.2	117.4	0	0	0	0	0	110
802	Q	20.6	Very low	22.3	Very low	179 Å²	179	153.4 Å²	153.4	84%	0.836	79%	0.79	S	S	*	*				57.5	117.7	98.9	-93.9	175.8	27.6	0	0	110.9
803	T	23	Very low	22.4	Very low	139 Å²	139	151.8 Å²	151.8	85%	0.853	79%	0.788	S	S	*	*				174.5	112.6	121.6	43.7	0	0	0	0	108.8
804	L	18.8	Very low	22.4	Very low	173 Å²	173	150.6 Å²	150.6	91%	0.906	78%	0.781	S	S	*	*				23.9	109.6	113.7	-90.4	151.4	0	0	0	111.2
805	K	24.7	Very low	22.6	Very low	211 Å²	211	153 Å²	153	92%	0.917	78%	0.781	S	S	*	*				177.3	102.5	125.6	-91.6	-171.3	-179.1	179.9	0	109.2
806	K	20.1	Very low	22.6	Very low	204 Å²	204	150 Å²	150	89%	0.887	77%	0.772	S	S	*	*			trans	-21.9	162.6	135.1	-84.7	-173.9	-178.2	179.6	0	111.9
807	P	28.2	Very low	22.6	Very low	90 Å²	90	148.2 Å²	148.2	58%	0.584	76%	0.764	S	S	*	*			cis	-159.2	147.4	-0.3	33.4	-5.3	0	0	0	112
808	F	22.1	Very low	22.8	Very low	174 Å²	174	147 Å²	147	76%	0.763	76%	0.756	S	S	*	*				162.9	0	120.4	-96.9	-80.8	0	0	0	109
809	H	23.8	Very low	22.7	Very low	137 Å²	137	145.4 Å²	145.4	63%	0.634	75%	0.753	S	S	*	*				0	116.6	0	-108.9	-55.9	0	0	0	110.3
810	D	20.2	Very low	22.9	Very low	102 Å²	102	144.9 Å²	144.9	55%	0.545	75%	0.751	S	S	.	*				99.1	118.8	95.4	-93.1	-11.7	0	0	0	109.8
811	H	23.7	Very low	23	Very low	142 Å²	142	139.7 Å²	139.7	66%	0.657	74%	0.741	S	S	*	*				110.5	115.1	104.2	-83.8	-59.2	0	0	0	109.9
812	T	21.3	Very low	23.1	Very low	104 Å²	104	144.2 Å²	144.2	64%	0.638	75%	0.746	S	S	*	*				87.7	121.3	99.5	53.8	0	0	0	0	109.7
813	N	25.4	Very low	23.1	Very low	140 Å²	140	145 Å²	145	75%	0.749	75%	0.75	S	S	*	*				147.2	110.7	117.7	-87.9	-7.9	0	0	0	109.7
814	D	20.4	Very low	23.4	Very low	135 Å²	135	143.2 Å²	143.2	72%	0.722	74%	0.743	S	S	*	*				62.4	116.6	100.1	-88.9	-12.2	0	0	0	110.5
815	T	26.8	Very low	23.7	Very low	128 Å²	128	142.7 Å²	142.7	79%	0.785	74%	0.741	S	S	*	*				139.4	110.5	113.3	33.5	0	0	0	0	109
816	S	22.3	Very low	23.9	Very low	94 Å²	94	140.8 Å²	140.8	66%	0.657	74%	0.741	S	S	*	*				35.2	121.1	107.1	69.9	0	0	0	0	111.3
817	N	24.3	Very low	24.1	Very low	134 Å²	134	142.4 Å²	142.4	72%	0.717	74%	0.742	S	S	*	*				118.7	117.9	113.5	-91.9	-15.9	0	0	0	110.1
818	H	26.6	Very low	24.1	Very low	150 Å²	150	143.7 Å²	143.7	69%	0.694	75%	0.753	S	S	*	*				113.5	111.8	109.1	-96.1	-65.8	0	0	0	109.8
819	D	21.5	Very low	24.1	Very low	131 Å²	131	141 Å²	141	70%	0.701	75%	0.751	S	S	*	*				55.9	0	102.7	-90.2	-13.6	0	0	0	110.9
820	K	25	Very low	24.2	Very low	189 Å²	189	140.4 Å²	140.4	82%	0.822	76%	0.757	S	S	*	*				0	115.8	0	-82.2	-170.6	-178.1	177.3	0	109.6
821	S	21.6	Very low	24.4	Very low	104 Å²	104	143 Å²	143	73%	0.727	77%	0.769	S	S	*	*				46	101	113.1	62.3	0	0	0	0	111.1
822	L	24.6	Very low	24.3	Very low	168 Å²	168	145.9 Å²	145.9	88%	0.88	78%	0.779	S	S	*	*			trans	-159.3	100	150.1	-114.7	119.3	0	0	0	109
823	E	21.4	Very low	24.4	Very low	197 Å²	197	152.2 Å²	152.2	92%	0.921	79%	0.792	S	S	*	*				-13.8	101.6	122.7	-110.8	172.4	-178.5	0	0	111.8
824	S	28.1	Very low	24.1	Very low	101 Å²	101	155 Å²	155	71%	0.706	80%	0.798	S	S	*	*			trans	-146.9	109.4	151.2	57.9	0	0	0	0	109.2
825	N	25	Very low	24.4	Very low	161 Å²	161	153.4 Å²	153.4	86%	0.861	80%	0.797	S	S	*	*				58	87.5	109.3	-87.4	-16.4	0	0	0	111.2
826	N	30.2	Very low	24.1	Very low	171 Å²	171	153.2 Å²	153.2	91%	0.914	80%	0.801	S	S	*	*			trans	-118.8	86.9	155.2	-88.3	-11.1	0	0	0	110.1
827	R	23	Very low	24.4	Very low	239 Å²	239	156.2 Å²	156.2	90%	0.902	81%	0.808	S	S	*	*			trans	-58.4	0	139.2	-143.9	177.4	177.3	168.1	-0.9	111.6
828	S	28.4	Very low	24.2	Very low	117 Å²	117	158.7 Å²	158.7	82%	0.818	82%	0.815	S	S	*	*				0	0	0	58.2	0	0	0	0	109.3
829	T	23.1	Very low	24.3	Very low	118 Å²	118	158 Å²	158	72%	0.724	82%	0.821	S	S	*	*				0	124.7	0	49.9	0	0	0	0	111.4
830	V	25.3	Very low	24.3	Very low	124 Å²	124	156.1 Å²	156.1	75%	0.752	82%	0.818	S	S	*	*				149.3	0	120.7	175.3	0	0	0	0	107.9
831	I	25.3	Very low	24.1	Very low	156 Å²	156	158.9 Å²	158.9	80%	0.8	82%	0.823	S	S	*	*				0	98.5	0	-65.5	176.8	0	0	0	108
832	K	20.5	Very low	24.4	Very low	202 Å²	202	164.2 Å²	164.2	88%	0.878	83%	0.834	S	S	*	*			trans	-59.6	123.6	135.4	-90.6	-174.3	-176.5	178.8	0	111.3
833	R	22.7	Very low	24.1	Very low	237 Å²	237	168 Å²	168	89%	0.894	84%	0.836	S	S	*	*			trans	172.7	124.3	134.9	-98.8	-169.8	-172.5	136.2	0.2	109.3
834	F	21.1	Very low	24.1	Very low	200 Å²	200	163.9 Å²	163.9	88%	0.877	83%	0.829	S	S	*	*				39.8	0	108.6	-83.7	-79.2	0	0	0	110.9
835	S	25.1	Very low	24.3	Very low	100 Å²	100	164.6 Å²	164.6	70%	0.699	83%	0.831	S	S	*	*				0	123	0	59.4	0	0	0	0	109.5
836	S	21.2	Very low	24	Very low	124 Å²	124	165.8 Å²	165.8	87%	0.867	83%	0.832	S	S	*	*				33.3	106	108.3	-57	0	0	0	0	111.4
837	I	28.7	Very low	23.9	Very low	158 Å²	158	165.3 Å²	165.3	81%	0.81	83%	0.828	S	S	*	*			trans	-112	89.3	164.8	-74.8	161.2	0	0	0	108.3	V839	I837-V839 HydrophobicContact CG2-CG2 3.6Å
838	E	20.3	Very low	23.9	Very low	185 Å²	185	158.4 Å²	158.4	86%	0.864	82%	0.816	S	S	*	*			trans	-51.7	108.8	131.4	-121.8	173.3	-176.2	0	0	111.6
839	V	29	Very low	23.6	Very low	135 Å²	135	164.2 Å²	164.2	82%	0.818	82%	0.82	S	S	*	*			trans	-119.3	0	160.3	176	0	0	0	0	108.2	I837	I837-V839 HydrophobicContact CG2-CG2 3.6Å
840	S	21.1	Very low	23.8	Very low	93 Å²	93	166 Å²	166	65%	0.65	82%	0.824	S	S	*	*				0	125.2	0	23	0	0	0	0	111.8
841	R	20.5	Very low	23.7	Very low	246 Å²	246	168.2 Å²	168.2	93%	0.928	83%	0.825	S	S	*	*				60.3	106.3	114.3	-91	-172.8	-162.4	174.7	0.1	110.9
842	K	28.6	Very low	23.6	Very low	216 Å²	216	165.8 Å²	165.8	94%	0.939	82%	0.822	S	S	*	*			trans	-135.5	0	155.8	-95.7	-173.6	-178.6	179.4	0	109.3
843	R	18.4	Very low	23.9	Very low	248 Å²	248	165.3 Å²	165.3	94%	0.936	82%	0.823	S	S	*	*				0	0	0	-86	-169.7	-177.2	-177.2	-0.3	111.5
844	S	21.3	Very low	23.8	Very low	111 Å²	111	165.2 Å²	165.2	78%	0.776	82%	0.823	S	S	*	*				0	0	0	34.5	0	0	0	0	110
845	P	32.1	Very low	24.2	Very low	115 Å²	115	161.7 Å²	161.7	75%	0.747	82%	0.818	S	S	*	*				0	139.9	0	33.5	-5	0	0	0	112.1
846	E	18.5	Very low	24.1	Very low	186 Å²	186	163.9 Å²	163.9	87%	0.869	82%	0.821	S	S	*	*				37.1	0	110.6	-107.9	178.2	-179.5	0	0	111.3
847	I	28.7	Very low	24.2	Very low	162 Å²	162	164.9 Å²	164.9	83%	0.831	82%	0.816	S	S	*	*				0	107.4	0	-65.6	167.5	0	0	0	107.8
848	S	22.3	Very low	24	Very low	94 Å²	94	162.9 Å²	162.9	66%	0.657	81%	0.811	S	S	*	*				43.8	120	103.7	56.2	0	0	0	0	111.3
849	R	21.5	Very low	24.2	Very low	239 Å²	239	158.9 Å²	158.9	90%	0.902	80%	0.799	S	S	*	*				86	114.9	102.1	-111.6	-171.6	-145.7	172.8	-0.3	110.5
850	I	27.2	Very low	23.9	Very low	156 Å²	156	158.4 Å²	158.4	80%	0.8	79%	0.791	S	S	*	*				168.9	109.5	123.2	-65.2	172.7	0	0	0	107.9
851	H	24.3	Very low	24.3	Very low	169 Å²	169	160.5 Å²	160.5	78%	0.782	80%	0.795	S	S	*	*				60.1	116.1	108	-90.2	-63.7	0	0	0	110.9
852	S	21.7	Very low	24.5	Very low	105 Å²	105	156.1 Å²	156.1	73%	0.734	79%	0.79	S	S	*	*				48.9	116.1	108.1	-65.2	0	0	0	0	111
853	E	27	Very low	24.7	Very low	193 Å²	193	151.3 Å²	151.3	90%	0.902	78%	0.783	S	S	*	*			trans	171.2	106.5	135.5	-99.2	-179.5	-179.9	0	0	109.1
854	R	21.2	Very low	24.9	Very low	235 Å²	235	147.2 Å²	147.2	89%	0.887	78%	0.779	S	S	*	*				43.9	0	107.9	-124.7	179.5	-174.5	-179.5	-0.9	111.2
855	T	29.5	Very low	25.4	Very low	126 Å²	126	145.8 Å²	145.8	77%	0.773	78%	0.781	S	S	*	*				0	116.6	0	48.3	0	0	0	0	108.8
856	D	22.5	Very low	25	Very low	145 Å²	145	145.5 Å²	145.5	78%	0.775	78%	0.778	S	S	*	*				40	0	109.6	-73.7	-18.5	0	0	0	111.1
857	I	23.9	Very low	25.4	Very low	146 Å²	146	144.1 Å²	144.1	75%	0.749	78%	0.775	S	S	*	*				0	0	0	-64.5	173.5	0	0	0	108.4
858	T	23.6	Very low	25.3	Very low	115 Å²	115	144.9 Å²	144.9	71%	0.706	77%	0.772	S	S	*	*				0	120.9	0	46	0	0	0	0	110.2
859	T	25.3	Very low	25.4	Very low	101 Å²	101	146.7 Å²	146.7	62%	0.62	77%	0.774	S	S	*	*				111.4	118.2	121.2	-35.6	0	0	0	0	109.5
860	I	23.2	Very low	25.7	Very low	126 Å²	126	142.1 Å²	142.1	65%	0.646	77%	0.768	S	S	*	*				99	0	108.4	-66.6	175.5	0	0	0	108.6
861	N	28.5	Very low	25.6	Very low	136 Å²	136	141 Å²	141	73%	0.727	77%	0.769	S	S	*	*				0	117	0	-86.4	-14.3	0	0	0	109.8
862	N	26.3	Very low	25.6	Very low	155 Å²	155	136.4 Å²	136.4	83%	0.829	77%	0.767	S	S	*	*				59.5	117.4	93.6	-83.3	-11.4	0	0	0	111.1
863	S	31	Very low	25.8	Very low	114 Å²	114	137.6 Å²	137.6	80%	0.797	78%	0.775	S	S	*	*				-174.9	0	124.8	54.8	0	0	0	0	109.4
864	L	24.5	Very low	25.6	Very low	163 Å²	163	136.2 Å²	136.2	85%	0.853	77%	0.772	S	S	*	*				0	0	0	-164.5	65.7	0	0	0	109.9
865	G	31	Very low	25.8	Very low	80 Å²	80	130.3 Å²	130.3	83%	0.825	77%	0.767	S	S	*	*				0	96.2	0	0	0	0	0	0	110.4
866	T	23.6	Very low	25.4	Very low	110 Å²	110	133.9 Å²	133.9	68%	0.675	77%	0.772	S	S	*	*				2	118.4	115.5	0.8	0	0	0	0	111.4
867	I	27.5	Very low	25.4	Very low	157 Å²	157	134 Å²	134	81%	0.805	77%	0.767	S	S	*	*				177.7	0	116.5	-65.5	176.1	0	0	0	108
868	K	25.3	Very low	25.4	Very low	178 Å²	178	133.2 Å²	133.2	77%	0.774	76%	0.764	S	S	*	*				0	118.6	0	-89.9	-176	-179.2	-179.8	0	110.4
869	N	24.5	Very low	25.2	Very low	131 Å²	131	135 Å²	135	70%	0.701	77%	0.766	S	S	*	*				106.9	117.2	97.1	-75.1	-12.2	0	0	0	110.1
870	N	27.5	Very low	25	Very low	144 Å²	144	136.7 Å²	136.7	77%	0.77	77%	0.771	S	S	*	*				166.5	106.7	114.6	-101.2	2.5	0	0	0	109.8
871	T	26.5	Very low	25	Very low	132 Å²	132	136.8 Å²	136.8	81%	0.81	77%	0.773	S	S	*	*				89.1	109.7	102.4	52	0	0	0	0	109.5
872	G	23.4	Very low	24.8	Very low	72 Å²	72	138.2 Å²	138.2	74%	0.742	77%	0.774	S	S	*	*				84.2	105.7	92.7	0	0	0	0	0	110.9
873	S	26.8	Very low	24.6	Very low	130 Å²	130	136 Å²	136	91%	0.909	77%	0.771	S	S	*	*				171.5	94.9	120.3	-92.7	0	0	0	0	109.1
874	I	22	Very low	24.2	Very low	165 Å²	165	141.7 Å²	141.7	85%	0.846	78%	0.775	S	S	*	*				-10.3	116.4	124.3	-67.4	161.7	0	0	0	110.3
875	S	25.3	Very low	24.6	Very low	110 Å²	110	141.7 Å²	141.7	77%	0.769	78%	0.776	S	S	*	*				156	105.6	119.6	-145	0	0	0	0	109.4
876	K	21.7	Very low	24.1	Very low	201 Å²	201	142 Å²	142	87%	0.874	77%	0.765	S	S	*	*				-0.8	116.7	113.7	-75.6	-173	-177.4	175.4	0	111.6
877	H	22.6	Very low	24.3	Very low	147 Å²	147	144.2 Å²	144.2	68%	0.681	77%	0.768	S	S	*	*				133.2	114.5	123.4	-158.4	-77.4	0	0	0	109.5
878	L	23.2	Very low	24.3	Very low	131 Å²	131	145.9 Å²	145.9	69%	0.686	77%	0.769	S	S	*	*				115.4	122	109.2	-86.4	157.1	0	0	0	109.7
879	M	20.3	Very low	24.1	Very low	152 Å²	152	142 Å²	142	75%	0.749	76%	0.764	S	S	*	*				27.2	126.2	114.5	-76.6	-92.9	89.3	0	0	111.1
880	L	20.9	Very low	24	Very low	137 Å²	137	142.7 Å²	142.7	72%	0.717	77%	0.767	S	S	*	*				86	0	118	-90.1	141.6	0	0	0	109.9
881	D	21.5	Very low	23.8	Very low	128 Å²	128	141.5 Å²	141.5	68%	0.684	76%	0.764	S	S	*	*				0	126	0	-86.6	-14.7	0	0	0	109.2
882	H	24.3	Very low	24.2	Very low	165 Å²	165	140.2 Å²	140.2	76%	0.764	76%	0.758	S	S	*	*				71.8	121.2	102.8	-71.8	-60.3	0	0	0	110.6
883	S	23.6	Very low	24	Very low	109 Å²	109	144.9 Å²	144.9	76%	0.762	77%	0.765	S	S	*	*				149.4	118.2	121.8	68.8	0	0	0	0	109.4
884	R	22.8	Very low	23.9	Very low	233 Å²	233	142.9 Å²	142.9	88%	0.879	76%	0.757	S	S	*	*				100.5	108.3	99	-109.3	179.6	-177.1	-178.3	0	109.9
885	N	31.7	Very low	23.9	Very low	163 Å²	163	140.6 Å²	140.6	87%	0.872	75%	0.751	S	S	*	*				-167.9	99	129.7	-100.3	0.6	0	0	0	109.7
886	S	21.9	Very low	23.8	Very low	86 Å²	86	141.5 Å²	141.5	60%	0.601	75%	0.747	S	S	*	*				-9	0	120.9	65.8	0	0	0	0	111.9
887	H	26.7	Very low	24	Very low	158 Å²	158	139.5 Å²	139.5	73%	0.731	74%	0.741	S	S	*	*				0	112.5	0	-86	-64.2	0	0	0	109.3
888	K	27.1	Very low	24	Very low	191 Å²	191	138.7 Å²	138.7	83%	0.83	74%	0.74	S	S	*	*				137.8	118.1	104.1	-87.6	-176.2	-176.2	179.2	0	109.5
889	S	21.9	Very low	24.3	Very low	96 Å²	96	139 Å²	139	67%	0.671	74%	0.742	S	S	*	*				66.9	124.4	82	105.9	0	0	0	0	110.8
890	I	22.9	Very low	24.5	Very low	147 Å²	147	137.3 Å²	137.3	75%	0.754	74%	0.74	S	S	*	*				105.9	0	98.1	-74.8	158.8	0	0	0	108.7
891	V	23.3	Very low	24.6	Very low	119 Å²	119	138.2 Å²	138.2	72%	0.721	74%	0.741	S	S	*	*				0	0	0	-178.3	0	0	0	0	109.4
892	P	33.7	Very low	24.8	Very low	105 Å²	105	138.2 Å²	138.2	68%	0.682	74%	0.741	S	S	*	*				0	163.1	0	33.7	-6.2	0	0	0	112
893	L	18.8	Very low	24.7	Very low	170 Å²	170	134.2 Å²	134.2	89%	0.89	73%	0.732	S	S	*	*				79.8	0	107.7	-149.8	70	0	0	0	110.1
894	A	26.7	Very low	24.8	Very low	88 Å²	88	136.2 Å²	136.2	73%	0.727	73%	0.731	S	S	*	*				0	0	0	0	0	0	0	0	109.1
895	T	21.6	Very low	24.8	Very low	117 Å²	117	130.8 Å²	130.8	72%	0.718	72%	0.719	S	S	*	*				0	138.1	0	47.8	0	0	0	0	110.9
896	D	23.5	Very low	24.4	Very low	129 Å²	129	131 Å²	131	69%	0.69	71%	0.713	S	S	*	*				131.6	0	112.1	-87.8	-16.3	0	0	0	109.4
897	E	26	Very low	24.3	Very low	159 Å²	159	135.6 Å²	135.6	74%	0.743	72%	0.724	S	S	*	*				0	0	0	-97.6	-176.4	178.5	0	0	110
898	I	22.4	Very low	24.1	Very low	129 Å²	129	134.1 Å²	134.1	66%	0.662	73%	0.731	S	S	*	*				0	0	0	-61.3	171.1	0	0	0	109.2
899	D	28.8	Very low	23.8	Very low	139 Å²	139	130.1 Å²	130.1	74%	0.743	73%	0.726	S	S	*	*				0	120.8	0	-80.7	-23.2	0	0	0	109.2
900	T	23.7	Very low	23.8	Very low	115 Å²	115	130.3 Å²	130.3	71%	0.706	73%	0.728	S	S	*	*				46.8	0	89.4	41.7	0	0	0	0	110.7
901	E	24.3	Very low	24	Very low	157 Å²	157	131 Å²	131	73%	0.734	73%	0.731	S	S	*	*				0	0	0	-80.8	-154.8	172	0	0	109.6
902	D	26	Very low	23.9	Very low	127 Å²	127	130.3 Å²	130.3	68%	0.679	73%	0.732	S	S	*	*				0	122.6	0	-90.2	-15.4	0	0	0	109.6
903	S	22.2	Very low	23.4	Very low	81 Å²	81	130.3 Å²	130.3	57%	0.566	73%	0.734	S	S	*	*				83.5	0	88.1	67.4	0	0	0	0	110.5
904	M	24.3	Very low	23.6	Very low	151 Å²	151	128.4 Å²	128.4	74%	0.744	73%	0.729	S	S	*	*				0	0	0	-75.3	-71	163.3	0	0	109.3
905	N	22.3	Very low	24	Very low	119 Å²	119	128.5 Å²	128.5	64%	0.636	72%	0.723	S	S	*	*				0	0	0	-97.4	-4.3	0	0	0	111
906	K	24	Very low	24	Very low	169 Å²	169	133 Å²	133	74%	0.735	73%	0.728	S	S	*	*				0	122.2	0	-90.8	-172.7	-176.2	178.9	0	109.9
907	Q	19.4	Very low	23.9	Very low	181 Å²	181	131.3 Å²	131.3	85%	0.846	73%	0.726	S	S	*	*				60.7	126.8	94.4	-92.3	-171.6	-8.2	0	0	110.8
908	C	23.9	Very low	23.6	Very low	128 Å²	128	129 Å²	129	87%	0.865	73%	0.728	S	S	*	*			trans	-168.2	0	135.6	-91.1	0	0	0	0	109
909	S	21	Very low	23.7	Very low	106 Å²	106	128.7 Å²	128.7	74%	0.741	74%	0.737	S	S	*	*				0	0	0	50.2	0	0	0	0	111.5
910	S	20.8	Very low	23.4	Very low	100 Å²	100	129.9 Å²	129.9	70%	0.699	74%	0.742	S	S	*	*				0	0	0	-0.1	0	0	0	0	109.6
911	I	28.1	Very low	23.4	Very low	162 Å²	162	129.9 Å²	129.9	83%	0.831	75%	0.746	S	S	*	*				0	114.2	0	-72.2	167.4	0	0	0	108
912	S	20.7	Very low	23.3	Very low	104 Å²	104	127 Å²	127	73%	0.727	74%	0.744	S	S	*	*				42.9	0	96	78.2	0	0	0	0	111.5
913	S	23.3	Very low	23.2	Very low	106 Å²	106	127.7 Å²	127.7	74%	0.741	75%	0.747	S	S	*	*				0	126.4	0	53.8	0	0	0	0	109.8
914	V	22.9	Very low	23.2	Very low	129 Å²	129	130.2 Å²	130.2	78%	0.782	76%	0.755	S	S	*	*				89.7	0	85.8	-174.4	0	0	0	0	109.1
915	P	34.5	Very low	23.2	Very low	91 Å²	91	129 Å²	129	59%	0.591	76%	0.756	S	S	*	*				0	0	0	33.7	-6.2	0	0	0	112.1
916	Y	22.5	Very low	23.2	Very low	211 Å²	211	132 Å²	132	83%	0.827	77%	0.766	S	S	*	*				0	131.6	0	-99.5	-82.4	0	0	0	109.3
917	S	20.5	Very low	23.2	Very low	93 Å²	93	131.3 Å²	131.3	65%	0.65	77%	0.77	S	S	*	*				62.3	0	89.1	53.6	0	0	0	0	111.1
918	S	20.6	Very low	23.4	Very low	111 Å²	111	127.8 Å²	127.8	78%	0.776	77%	0.766	S	S	*	*				0	0	0	57.2	0	0	0	0	110
919	S	24.5	Very low	23.4	Very low	122 Å²	122	130.8 Å²	130.8	85%	0.853	76%	0.764	S	S	*	*				0	123.3	0	27.3	0	0	0	0	109.2
920	I	21.1	Very low	23.5	Very low	165 Å²	165	133.9 Å²	133.9	85%	0.846	77%	0.767	S	S	*	*				18.1	0	102.2	-66.3	169.2	0	0	0	110.3
921	S	24.8	Very low	23.8	Very low	115 Å²	115	136.3 Å²	136.3	80%	0.804	77%	0.77	S	S	*	*				0	121.3	0	56.2	0	0	0	0	109
922	S	21.9	Very low	23.5	Very low	97 Å²	97	132.9 Å²	132.9	68%	0.678	75%	0.753	S	S	*	*				-30.9	135.2	123.3	42.1	0	0	0	0	111.8
923	D	23.1	Very low	23.9	Very low	140 Å²	140	132.3 Å²	132.3	75%	0.749	75%	0.745	S	S	*	*				161.8	121.6	129.4	-92.1	-9.4	0	0	0	109.3
924	N	23.1	Very low	24.2	Very low	135 Å²	135	129.4 Å²	129.4	72%	0.722	72%	0.723	S	S	*	*				78.2	134.2	88.8	-86.1	-10.3	0	0	0	111
925	T	24.1	Very low	24.7	Very low	125 Å²	125	129 Å²	129	77%	0.767	72%	0.717	S	S	*	*				127.7	119.6	104.9	45.8	0	0	0	0	109.2
926	E	22.8	Very low	24.5	Very low	182 Å²	182	129 Å²	129	85%	0.85	72%	0.719	S	S	*	*				28.7	0	100.8	-99.6	179.5	-178.7	0	0	111.6
927	N	23.1	Very low	25	Very low	155 Å²	155	127.4 Å²	127.4	83%	0.829	72%	0.717	S	S	*	*				0	126.8	0	-95.9	-1.2	0	0	0	109.7
928	S	24.8	Very low	25.3	Very low	107 Å²	107	133.8 Å²	133.8	75%	0.748	73%	0.726	S	S	*	*				159.1	115.5	106.8	51.3	0	0	0	0	109.4
929	K	24.2	Very low	25.5	Very low	190 Å²	190	132.7 Å²	132.7	83%	0.826	72%	0.719	S	S	*	*				90.2	0	99.4	-94.2	-178.2	-179	175.6	0	110.5
930	E	22.8	Very low	25.7	Very low	171 Å²	171	130.1 Å²	130.1	80%	0.799	69%	0.691	S	S	*	*				0	110.4	0	-99.4	-175	177.6	0	0	110.4
931	I	25.6	Very low	26.3	Very low	152 Å²	152	130 Å²	130	78%	0.779	69%	0.691	S	S	*	*				177.7	0	121.3	-66.3	167.5	0	0	0	107.8
932	L	22.9	Very low	26.3	Very low	90 Å²	90	128.4 Å²	128.4	47%	0.471	68%	0.68	S	S	.	*				0	0	0	-83.3	154.7	0	0	0	111.3	L945	L932-L945 HydrophobicContact CD1-CD2 4.22Å; L932-L945 VanDerWaalsContact CD2-C 3.43Å
933	T	29.1	Very low	26.5	Very low	92 Å²	92	131 Å²	131	56%	0.564	68%	0.681	S	S	*	*				0	0	0	46.8	0	0	0	0	109.5	G944	T933-G944 CarbonylContact C-O 3.6Å
934	T	29.5	Very low	26.6	Very low	44 Å²	44	125.1 Å²	125.1	27%	0.27	65%	0.653	S	S	.	*				0	101.6	0	61.9	0	0	0	0	109.6	R940 H943 G944 L945	T934-R940 CovalentContact C-NE 1.08Å; T934-R940 VanDerWaalsContact C-NH1 3.25Å; T934-R940 VanDerWaalsContact CA-CD 3.43Å; T934-R940 VanDerWaalsContact CB-NE 3.33Å; T934-R940 VanDerWaalsContact CG2-NH2 3.35Å; T934-R940 WeakPolarHBondContact O-CD 3.34Å; T934-R940 WeakPolarHBondContact O-CG 3.48Å; T934-R940 PolarHBondContact O-NE 3.33Å; T934-H943 PolarHBondContact OG1-O 3.15Å; T934-G944 WeakPolarHBondContact CA-O 3.5Å; T934-G944 WeakPolarHBondContact CB-O 2.94Å; T934-G944 CovalentContact CG2-O 1.69Å; T934-G944 WeakPolarHBondContact CG2-O 3.43Å; T934-G944 PolarHBondContact N-O 3.48Å; T934-G944 WeakPolarHBondContact OG1-CA 3.47Å; T934-G944 PolarHBondContact OG1-N 3.41Å; T934-G944 PolarHBondContact OG1-O 3.2Å; T934-L945 VanDerWaalsContact CG2-O 3.3Å; T934-L945 WeakPolarHBondContact CG2-O 3.09Å
935	N	33.1	Very low	26.7	Very low	121 Å²	121	125.6 Å²	125.6	65%	0.647	66%	0.655	S	S	*	*				-12.3	0	125.5	-77.5	-14.7	0	0	0	112.1	R940	N935-R940 HydrophobicContact CB-CG 4.32Å; N935-R940 CovalentContact CB-NH1 1.08Å; N935-R940 CovalentContact N-CD 1.39Å; N935-R940 CovalentContact N-CZ 1.26Å; N935-R940 PolarHBondContact ND2-NH1 3.36Å; N935-R940 PolarHBondContact O-NE 2.94Å; N935-R940 PolarHBondContact O-NH1 2.94Å; N935-R940 PolarHBondContact O-NH2 3.37Å; N935-R940 WeakPolarHBondContact OD1-CD 3.38Å; N935-R940 PolarHBondContact OD1-NE 3.07Å; N935-R940 PolarHBondContact OD1-NH1 3Å
936	S	31.2	Very low	26.7	Very low	92 Å²	92	131 Å²	131	64%	0.643	66%	0.661	S	S	*	*				0	88.2	0	60.8	0	0	0	0	110.7	W938 S939	S936-W938 PolarHBondContact O-N 2.79Å; S936-S939 PolarHBondContact O-N 3.4Å
937	F	32.3	Very low	26.8	Very low	177 Å²	177	125.3 Å²	125.3	78%	0.776	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-8.9	0	-175.1	-172.2	-101.5	0	0	0	111.6
938	W	26.2	Very low	26.9	Very low	226 Å²	226	124.1 Å²	124.1	86%	0.856	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn		0	0	0	-78.1	106.3	0	0	0	109.3	S936	S936-W938 PolarHBondContact O-N 2.79Å
939	S	25.9	Very low	27.1	Very low	89 Å²	89	123.8 Å²	123.8	62%	0.622	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn		0	54.3	0	-52.9	0	0	0	0	109.6	S936 L941	S936-S939 PolarHBondContact O-N 3.4Å; S939-L941 VanDerWaalsContact C-N 3.34Å; S939-L941 CarbonylContact O-C 3.43Å; S939-L941 WeakPolarHBondContact O-CA 3.13Å; S939-L941 PolarHBondContact O-N 3.23Å
940	R	27.2	Very low	27.1	Very low	67 Å²	67	121.1 Å²	121.1	25%	0.253	65%	0.647	S	S	.	*			trans	-89.5	0	157.8	-90.5	-177.3	170.8	169.3	-3.2	110.4	T934 N935	T934-R940 CovalentContact C-NE 1.08Å; T934-R940 VanDerWaalsContact C-NH1 3.25Å; T934-R940 VanDerWaalsContact CA-CD 3.43Å; T934-R940 VanDerWaalsContact CB-NE 3.33Å; T934-R940 VanDerWaalsContact CG2-NH2 3.35Å; T934-R940 WeakPolarHBondContact O-CD 3.34Å; T934-R940 WeakPolarHBondContact O-CG 3.48Å; T934-R940 PolarHBondContact O-NE 3.33Å; N935-R940 HydrophobicContact CB-CG 4.32Å; N935-R940 CovalentContact CB-NH1 1.08Å; N935-R940 CovalentContact N-CD 1.39Å; N935-R940 CovalentContact N-CZ 1.26Å; N935-R940 PolarHBondContact ND2-NH1 3.36Å; N935-R940 PolarHBondContact O-NE 2.94Å; N935-R940 PolarHBondContact O-NH1 2.94Å; N935-R940 PolarHBondContact O-NH2 3.37Å; N935-R940 WeakPolarHBondContact OD1-CD 3.38Å; N935-R940 PolarHBondContact OD1-NE 3.07Å; N935-R940 PolarHBondContact OD1-NH1 3Å
941	L	33.8	Very low	27.2	Very low	162 Å²	162	119.5 Å²	119.5	85%	0.848	64%	0.644	S	S	*	*	S	Bend		0	0	0	-87.4	151.7	0	0	0	111.3	S939	S939-L941 VanDerWaalsContact C-N 3.34Å; S939-L941 CarbonylContact O-C 3.43Å; S939-L941 WeakPolarHBondContact O-CA 3.13Å; S939-L941 PolarHBondContact O-N 3.23Å
942	S	25.3	Very low	27.1	Very low	82 Å²	82	120.4 Å²	120.4	57%	0.573	64%	0.643	S	S	*	*	S	Bend		0	0	0	61.4	0	0	0	0	110.4
943	H	26	Very low	27.2	Very low	153 Å²	153	123.3 Å²	123.3	71%	0.708	65%	0.654	S	S	*	*				0	0	0	-77.1	-75.4	0	0	0	109.3	T934	T934-H943 PolarHBondContact OG1-O 3.15Å
944	G	25.4	Very low	26.9	Very low	16 Å²	16	126.7 Å²	126.7	17%	0.165	66%	0.663	C	S	.	*				0	0	0	0	0	0	0	0	110	T933 T934	T933-G944 CarbonylContact C-O 3.6Å; T934-G944 WeakPolarHBondContact CA-O 3.5Å; T934-G944 WeakPolarHBondContact CB-O 2.94Å; T934-G944 CovalentContact CG2-O 1.69Å; T934-G944 WeakPolarHBondContact CG2-O 3.43Å; T934-G944 PolarHBondContact N-O 3.48Å; T934-G944 WeakPolarHBondContact OG1-CA 3.47Å; T934-G944 PolarHBondContact OG1-N 3.41Å; T934-G944 PolarHBondContact OG1-O 3.2Å
945	L	25.2	Very low	26.6	Very low	144 Å²	144	128.7 Å²	128.7	75%	0.754	68%	0.679	S	S	*	*				0	0	0	-73.5	167	0	0	0	111	L932 T934	L932-L945 HydrophobicContact CD1-CD2 4.22Å; L932-L945 VanDerWaalsContact CD2-C 3.43Å; T934-L945 VanDerWaalsContact CG2-O 3.3Å; T934-L945 WeakPolarHBondContact CG2-O 3.09Å
946	R	25	Very low	26.2	Very low	239 Å²	239	129.6 Å²	129.6	90%	0.902	68%	0.684	S	S	*	*				0	104.1	0	-160.2	174.8	-152.2	-121.3	0.9	109.1
947	G	24.4	Very low	25.7	Very low	62 Å²	62	135.5 Å²	135.5	64%	0.639	69%	0.692	S	S	*	*				-16.1	114.4	117.7	0	0	0	0	0	112.1
948	S	25.6	Very low	25.3	Very low	131 Å²	131	132.9 Å²	132.9	92%	0.916	69%	0.686	S	S	*	*				-167.8	116.7	128.5	-115.4	0	0	0	0	109.3
949	S	28.7	Very low	25	Very low	99 Å²	99	131 Å²	131	69%	0.692	68%	0.684	S	S	*	*				155.9	117.7	120.4	176.3	0	0	0	0	109.2
950	N	23.9	Very low	24.8	Very low	134 Å²	134	131.1 Å²	131.1	72%	0.717	69%	0.685	S	S	*	*				115.1	117.9	100.5	-86.6	-6.9	0	0	0	110.1
951	N	24.2	Very low	24.4	Very low	137 Å²	137	135.7 Å²	135.7	73%	0.733	71%	0.709	S	S	*	*				115.3	115.6	108.8	-92.9	-8	0	0	0	110.3
952	K	25	Very low	23.8	Very low	172 Å²	172	135 Å²	135	75%	0.748	70%	0.701	S	S	*	*				92.2	123.1	90.8	-107.9	178.4	-177.4	175.4	0	110.3
953	Q	24.4	Very low	23.7	Very low	151 Å²	151	137.6 Å²	137.6	71%	0.706	71%	0.709	S	S	*	*				94.7	125.9	112.2	-97.2	-179.6	3	0	0	110.3
954	Q	23.4	Very low	23.6	Very low	162 Å²	162	135.5 Å²	135.5	76%	0.757	71%	0.707	S	S	*	*				104.1	123.6	104.1	-113.9	173.6	10.9	0	0	110.1
955	S	22.9	Very low	23.5	Very low	86 Å²	86	141.8 Å²	141.8	60%	0.601	74%	0.736	S	S	*	*				67.3	125.9	99	69.5	0	0	0	0	110.9
956	N	24.7	Very low	23.7	Very low	141 Å²	141	140.3 Å²	140.3	75%	0.754	74%	0.738	S	S	*	*				147.5	118.4	120.3	-97.4	-4.8	0	0	0	109.8
957	R	20.8	Very low	23.6	Very low	216 Å²	216	136.2 Å²	136.2	82%	0.815	73%	0.734	S	S	*	*				64.9	125.9	90.3	-110.1	-177.3	-177.7	174.4	0.2	111.1
958	N	23	Very low	23.8	Very low	122 Å²	122	140.6 Å²	140.6	65%	0.652	74%	0.743	S	S	*	*				125.4	120.9	114	-80.1	-14.3	0	0	0	110.1
959	K	21	Very low	23.7	Very low	186 Å²	186	142.8 Å²	142.8	81%	0.809	74%	0.743	S	S	*	*				72	126.9	95.6	-95	-176.9	-178.7	173.3	0	110.8
960	S	20.4	Very low	23.5	Very low	91 Å²	91	143.3 Å²	143.3	64%	0.636	75%	0.747	S	S	*	*				101.2	123	111.9	63.7	0	0	0	0	110
961	E	19.5	Very low	23.5	Very low	163 Å²	163	142.2 Å²	142.2	76%	0.762	75%	0.75	S	S	*	*				89.8	120.3	107.5	-81.6	-174.7	175.5	0	0	110.3
962	H	22.1	Very low	23.5	Very low	147 Å²	147	146.8 Å²	146.8	68%	0.681	76%	0.757	S	S	*	*				93.4	117.1	112.7	-97.5	-59.4	0	0	0	110.2
963	N	21.6	Very low	23.5	Very low	138 Å²	138	148.1 Å²	148.1	74%	0.738	76%	0.763	S	S	*	*				93.5	121.5	104.4	-105.4	-7.3	0	0	0	110.7
964	V	25.3	Very low	23.6	Very low	109 Å²	109	146.7 Å²	146.7	66%	0.661	76%	0.764	S	S	*	*				132.3	114.6	103.2	177	0	0	0	0	108
965	N	22.4	Very low	23.7	Very low	148 Å²	148	145.8 Å²	145.8	79%	0.791	76%	0.764	S	S	*	*				89.9	116	98.2	-97.1	-2.5	0	0	0	110.7
966	S	29.1	Very low	23.8	Very low	113 Å²	113	146.1 Å²	146.1	79%	0.79	77%	0.772	S	S	*	*				164.3	98.6	112.4	41.9	0	0	0	0	109.2
967	N	23.8	Very low	23.9	Very low	152 Å²	152	149.3 Å²	149.3	81%	0.813	78%	0.779	S	S	*	*				40.6	99.9	116.5	-83.7	-7.5	0	0	0	111.7
968	N	27.9	Very low	24.2	Very low	155 Å²	155	143.9 Å²	143.9	83%	0.829	77%	0.774	S	S	*	*				149.7	98.6	121.1	-88.2	-15.6	0	0	0	109.7
969	L	23.6	Very low	24.3	Very low	177 Å²	177	144.8 Å²	144.8	93%	0.927	78%	0.784	S	S	*	*				-4.6	100.1	118.4	-90.6	130.5	0	0	0	111.4
970	S	24.8	Very low	24.7	Very low	109 Å²	109	143.1 Å²	143.1	76%	0.762	78%	0.782	S	S	*	*			trans	156.2	89.6	130.4	-175.3	0	0	0	0	109.2
971	S	22.9	Very low	25.1	Very low	112 Å²	112	143.7 Å²	143.7	78%	0.783	79%	0.786	S	S	*	*				-7.8	98.1	117.8	23	0	0	0	0	111.7
972	R	25.3	Very low	25.4	Very low	233 Å²	233	144.8 Å²	144.8	88%	0.879	79%	0.791	S	S	*	*				-179.4	75.8	129.8	-161.8	173.3	-141.4	177.8	-0.5	109.1	V974	R972-V974 HydrophobicContact CG-CG2 3.98Å
973	K	24.8	Very low	25.7	Very low	200 Å²	200	144 Å²	144	87%	0.87	80%	0.799	S	S	*	*			trans	-78	84.4	151.5	-128.2	177.4	179.4	177.6	0	110.5	N975	K973-N975 VanDerWaalsContact C-N 3.29Å; K973-N975 PolarHBondContact O-N 3.4Å
974	V	26.8	Very low	26.1	Very low	120 Å²	120	142.9 Å²	142.9	73%	0.727	80%	0.802	S	S	*	*			trans	-48.1	76.4	156.4	179.4	0	0	0	0	109.6	R972	R972-V974 HydrophobicContact CG-CG2 3.98Å
975	N	25.9	Very low	26.2	Very low	143 Å²	143	143.4 Å²	143.4	77%	0.765	81%	0.809	S	S	*	*			trans	-60.6	87.4	157.8	-87.1	-0.3	0	0	0	111.5	K973 K977	K973-N975 VanDerWaalsContact C-N 3.29Å; K973-N975 PolarHBondContact O-N 3.4Å; N975-K977 PolarHBondContact O-N 2.97Å
976	A	25.3	Very low	26.3	Very low	93 Å²	93	144.2 Å²	144.2	77%	0.769	81%	0.813	S	S	*	*			trans	2.2	83	134	0	0	0	0	0	111.4
977	K	26.4	Very low	26	Very low	209 Å²	209	150.6 Å²	150.6	91%	0.909	82%	0.819	S	S	*	*			trans	-54.4	80.2	152	-91.7	176.4	-178.7	179.2	0	111.3	N975	N975-K977 PolarHBondContact O-N 2.97Å
978	S	26.6	Very low	26	Very low	101 Å²	101	152 Å²	152	71%	0.706	82%	0.823	S	S	*	*			trans	-59.5	103.3	153.5	65.1	0	0	0	0	111
979	V	25	Very low	26.3	Very low	141 Å²	141	151 Å²	151	86%	0.855	82%	0.822	S	S	*	*				15.5	81.6	122.8	-177.6	0	0	0	0	110
980	I	30	Very low	26.3	Very low	152 Å²	152	150.2 Å²	150.2	78%	0.779	82%	0.819	S	S	*	*			trans	-106.8	0	155.4	-65.3	170.3	0	0	0	108.6
981	S	28.6	Very low	26.2	Very low	102 Å²	102	152.5 Å²	152.5	71%	0.713	82%	0.821	S	S	*	*				0	99.6	0	18.6	0	0	0	0	111.6
982	E	25.4	Very low	26.3	Very low	187 Å²	187	152.6 Å²	152.6	87%	0.874	82%	0.82	S	S	*	*			trans	-3.2	110	131.4	-108.7	-179.9	177.5	0	0	111.6
983	P	28.2	Very low	26.2	Very low	129 Å²	129	149 Å²	149	84%	0.838	82%	0.818	S	S	*	*			trans	-85	104	176.1	26	-5.2	0	0	0	111.8
984	S	30.5	Very low	26.3	Very low	115 Å²	115	145.4 Å²	145.4	80%	0.804	82%	0.818	S	S	*	*			trans	-26.5	110.7	136	-60.6	0	0	0	0	111.4
985	C	27.1	Very low	26.2	Very low	120 Å²	120	144.7 Å²	144.7	81%	0.811	82%	0.818	S	S	*	*	S	Bend		54.9	0	115.3	-71.3	0	0	0	0	110.5
986	L	24.3	Very low	26	Very low	166 Å²	166	143.7 Å²	143.7	87%	0.869	82%	0.821	S	S	*	*				0	97.3	0	-70	178.8	0	0	0	109.9
987	R	23.6	Very low	25.9	Very low	246 Å²	246	144.9 Å²	144.9	93%	0.928	82%	0.824	S	S	*	*			trans	-127.5	0	149.1	-161.7	-178.9	-152.2	152.6	0.6	109.7
988	M	24	Very low	25.8	Very low	181 Å²	181	142.6 Å²	142.6	89%	0.892	82%	0.82	S	S	*	*				0	101.4	0	-73.5	-133.6	-66.1	0	0	110.9
989	V	32.8	Very low	25.8	Very low	134 Å²	134	145.5 Å²	145.5	81%	0.812	83%	0.828	S	S	*	*			trans	-61.1	100.6	154.6	176.8	0	0	0	0	109.7
990	N	24.4	Very low	25.8	Very low	161 Å²	161	144.1 Å²	144.1	86%	0.861	83%	0.825	S	S	*	*			trans	10.7	106.2	131.4	-101.9	-3.9	0	0	0	112
991	I	23.4	Very low	25.4	Very low	157 Å²	157	140.5 Å²	140.5	81%	0.805	83%	0.825	S	S	*	*			trans	-52.7	128	148.8	-56.8	171.5	0	0	0	109.9
992	P	24.6	Very low	25.3	Very low	115 Å²	115	143 Å²	143	75%	0.747	83%	0.83	S	S	*	*			trans	-115.7	127.9	143.5	26.1	-2.4	0	0	0	111.7
993	N	23	Very low	25.2	Very low	157 Å²	157	140.2 Å²	140.2	84%	0.84	83%	0.826	S	S	*	*				63.9	103.9	113.2	-83.8	-3.8	0	0	0	111.2
994	S	26.9	Very low	25.1	Very low	125 Å²	125	137.8 Å²	137.8	87%	0.874	83%	0.825	S	S	*	*			trans	-138	0	142	65.1	0	0	0	0	109.6
995	S	23.9	Very low	24.9	Very low	104 Å²	104	137.5 Å²	137.5	73%	0.727	82%	0.823	S	S	*	*				0	122.5	0	53.4	0	0	0	0	111.6
996	C	21	Very low	25	Very low	123 Å²	123	139.1 Å²	139.1	83%	0.831	82%	0.822	S	S	*	*				117	0	104.2	-79.2	0	0	0	0	109.4
997	S	24.9	Very low	25.2	Very low	118 Å²	118	138.4 Å²	138.4	83%	0.825	82%	0.819	S	S	*	*				0	116.9	0	-151.7	0	0	0	0	109.5
998	L	23.2	Very low	25.5	Very low	160 Å²	160	131.8 Å²	131.8	84%	0.838	81%	0.811	S	S	*	*				15.2	112.2	105	-78.1	152.6	0	0	0	111.2
999	D	27	Very low	25.5	Very low	163 Å²	163	126.8 Å²	126.8	87%	0.872	81%	0.805	S	S	*	*			trans	-138.7	103.9	143.6	-98.4	-8.3	0	0	0	109.7
1000	S	24.5	Very low	25.6	Very low	111 Å²	111	126.8 Å²	126.8	78%	0.776	81%	0.808	S	S	*	*				10.4	0	107.3	24	0	0	0	0	111.8
1001	G	22.5	Very low	25.7	Very low	76 Å²	76	124.6 Å²	124.6	78%	0.784	81%	0.805	S	S	*	*				0	122.2	0	0	0	0	0	0	110.4
1002	N	26.7	Very low	25.8	Very low	154 Å²	154	123 Å²	123	82%	0.824	81%	0.808	S	S	*	*				150.6	119	111.1	-122	32.4	0	0	0	109.9
1003	T	23.1	Very low	26	Very low	129 Å²	129	122.4 Å²	122.4	79%	0.791	81%	0.807	S	S	*	*				60.9	0	95.6	63.1	0	0	0	0	110.4
1004	G	24.7	Very low	25.9	Very low	79 Å²	79	120.8 Å²	120.8	81%	0.814	81%	0.806	S	S	*	*				0	0	0	0	0	0	0	0	110.5
1005	S	28.3	Very low	25.7	Very low	109 Å²	109	124.8 Å²	124.8	76%	0.762	81%	0.808	S	S	*	*				0	0	0	-141	0	0	0	0	109.5
1006	I	27.6	Very low	25.6	Very low	154 Å²	154	124.9 Å²	124.9	79%	0.79	81%	0.809	S	S	*	*				0	113.7	0	-21.3	156.6	0	0	0	109.5
1007	D	29.4	Very low	25.7	Very low	150 Å²	150	123.9 Å²	123.9	80%	0.802	80%	0.799	S	S	*	*				-175.6	0	127.6	-105.9	-8.1	0	0	0	109.3
1008	S	28.8	Very low	25.6	Very low	108 Å²	108	127 Å²	127	76%	0.755	80%	0.8	S	S	*	*				0	106.3	0	24	0	0	0	0	110.4
1009	G	25.3	Very low	25.6	Very low	75 Å²	75	128.4 Å²	128.4	77%	0.773	80%	0.799	S	S	*	*				61.5	149.3	110.7	0	0	0	0	0	111.6
1010	P	34.2	Very low	25.4	Very low	135 Å²	135	129.1 Å²	129.1	88%	0.877	80%	0.797	S	S	*	*				-116.4	131.4	-117.7	33.5	-4.8	0	0	0	111.9
1011	S	26.1	Very low	25.5	Very low	115 Å²	115	130 Å²	130	80%	0.804	80%	0.798	S	S	*	*			trans	-143.8	98.3	151.8	94.7	0	0	0	0	109.4
1012	S	26.4	Very low	25.6	Very low	122 Å²	122	132.9 Å²	132.9	85%	0.853	80%	0.795	S	S	*	*				33	81.6	118.4	66.2	0	0	0	0	111.3
1013	S	27.6	Very low	25.5	Very low	104 Å²	104	133.9 Å²	133.9	73%	0.727	80%	0.8	S	S	*	*			trans	-157.9	0	152.2	93.5	0	0	0	0	109.6
1014	C	21.5	Very low	25.8	Very low	123 Å²	123	135.7 Å²	135.7	83%	0.831	80%	0.803	S	S	*	*				0	0	0	-69.9	0	0	0	0	110.1
1015	K	22.1	Very low	25.7	Very low	208 Å²	208	140.1 Å²	140.1	90%	0.904	80%	0.802	S	S	*	*				0	96.9	0	-74.2	-175.2	-177.8	175.5	0	109.3
1016	S	21.7	Very low	25.8	Very low	107 Å²	107	141.5 Å²	141.5	75%	0.748	81%	0.807	S	S	*	*			trans	-174.3	128.1	153.4	-175.5	0	0	0	0	109.4
1017	V	23.7	Very low	26	Very low	102 Å²	102	141.1 Å²	141.1	62%	0.618	81%	0.806	S	S	*	*				126.8	107.4	90	176.8	0	0	0	0	108.4
1018	H	22.9	Very low	25.9	Very low	183 Å²	183	142.9 Å²	142.9	85%	0.847	81%	0.807	S	S	*	*			trans	-18.5	105	135.8	-94.4	-49.4	0	0	0	111.9
1019	F	23.8	Very low	25.8	Very low	190 Å²	190	146.7 Å²	146.7	83%	0.833	81%	0.809	S	S	*	*			trans	-86.2	102.4	167.9	-75.7	-80.6	0	0	0	109.8
1020	H	22.3	Very low	25.8	Very low	177 Å²	177	150.1 Å²	150.1	82%	0.819	81%	0.81	S	S	*	*			trans	-98.2	0	145.3	-86.9	-71.4	0	0	0	110.4
1021	T	26.8	Very low	25.7	Very low	130 Å²	130	151.2 Å²	151.2	80%	0.798	81%	0.808	S	S	*	*				0	107	0	-33.6	0	0	0	0	109.1
1022	D	25.5	Very low	25.7	Very low	136 Å²	136	151.1 Å²	151.1	73%	0.727	81%	0.808	S	S	*	*				32.8	118.7	108.9	-71.5	-18.8	0	0	0	111.3
1023	L	22.8	Very low	25.9	Very low	175 Å²	175	152.1 Å²	152.1	92%	0.916	80%	0.804	S	S	*	*				20.8	109.3	117.3	-81.9	149	0	0	0	111.2
1024	I	29.8	Very low	26	Very low	167 Å²	167	154.9 Å²	154.9	86%	0.856	81%	0.809	S	S	*	*			trans	-127.3	111.4	148.3	-65.2	173.8	0	0	0	108.3
1025	E	22.7	Very low	26.3	Very low	172 Å²	172	156.6 Å²	156.6	80%	0.804	81%	0.81	S	S	*	*				0.1	0	129.3	-108.6	177.6	-177.5	0	0	112.1
1026	T	30.8	Very low	27	Very low	139 Å²	139	151.6 Å²	151.6	85%	0.853	79%	0.793	S	S	*	*				0	111.9	0	49.8	0	0	0	0	108.8
1027	D	31.1	Very low	27.5	Very low	146 Å²	146	154.7 Å²	154.7	78%	0.781	80%	0.796	S	S	*	*				27.6	116.4	117.8	-79.8	-14.8	0	0	0	111.4
1028	K	27.1	Very low	28.1	Very low	187 Å²	187	156.3 Å²	156.3	81%	0.813	81%	0.806	S	S	*	*				72.5	118.9	111.8	-83.9	-170.2	-179.6	177.2	0	110.6
1029	K	28.4	Very low	28.6	Very low	187 Å²	187	150.1 Å²	150.1	81%	0.813	79%	0.791	S	S	*	*				100.7	0	112.4	-97.1	-173.4	-179.6	175.2	0	110
1030	N	25.1	Very low	29.2	Very low	148 Å²	148	145.9 Å²	145.9	79%	0.791	79%	0.785	S	S	*	*				0	0	0	-80.8	-11.3	0	0	0	110.6
1031	N	31.3	Very low	30.2	Very low	157 Å²	157	140.7 Å²	140.7	84%	0.84	77%	0.768	S	S	*	*				0	80.2	0	-99.2	-11.4	0	0	0	109.7	D1033	N1031-D1033 PolarHBondContact O-N 3.18Å
1032	S	26.2	Very low	31.3	Very low	114 Å²	114	138.6 Å²	138.6	80%	0.797	76%	0.759	S	S	*	*			trans	-37.5	79.6	150.7	57.5	0	0	0	0	111.7
1033	D	29.8	Very low	32.7	Very low	143 Å²	143	139.6 Å²	139.6	77%	0.765	77%	0.765	S	S	*	*	S	Bend	trans	160.1	60.9	136.7	-85.5	-16.7	0	0	0	109.3	N1031	N1031-D1033 PolarHBondContact O-N 3.18Å
1034	L	31.3	Very low	35.2	Very low	161 Å²	161	134.7 Å²	134.7	84%	0.843	74%	0.739	S	S	*	*			trans	-172.8	52.9	146.3	-70.1	175.4	0	0	0	109
1035	N	27.6	Very low	37.7	Very low	159 Å²	159	134.4 Å²	134.4	85%	0.85	73%	0.734	S	S	*	*			trans	-108.5	70.4	163.9	-85.6	-26.5	0	0	0	110.2	E1037	N1035-E1037 PolarHBondContact O-N 2.79Å
1036	L	36.9	Very low	40.9	Very low	103 Å²	103	127.9 Å²	127.9	54%	0.539	71%	0.707	S	S	.	*			trans	-57.8	74.2	166.3	-130	106.8	0	0	0	110.8	V1038	L1036-V1038 PolarHBondContact O-N 3.18Å
1037	E	30.9	Very low	43.7	Very low	173 Å²	173	126.4 Å²	126.4	81%	0.808	69%	0.693	S	S	*	*			trans	-19.4	74	149.1	-78.6	-135.1	166.7	0	0	111.7	N1035 G1039	N1035-E1037 PolarHBondContact O-N 2.79Å; E1037-G1039 PolarHBondContact O-N 2.88Å
1038	V	37.5	Very low	46.7	Very low	136 Å²	136	120 Å²	120	82%	0.824	66%	0.661	S	S	*	*			trans	-24.2	0	157	179.9	0	0	0	0	109.6	L1036	L1036-V1038 PolarHBondContact O-N 3.18Å
1039	G	32.7	Very low	49.9	Very low	52 Å²	52	117.6 Å²	117.6	54%	0.536	65%	0.647	S	S	.	*				0	86.6	0	0	0	0	0	0	111.4	E1037	E1037-G1039 PolarHBondContact O-N 2.88Å
1040	S	36.9	Very low	53.1	Low	101 Å²	101	108.7 Å²	108.7	71%	0.706	61%	0.608	S	S	*	*			trans	81	69.8	136.2	-56.4	0	0	0	0	110.9	S1042	S1040-S1042 PolarHBondContact O-N 3.5Å
1041	S	43.8	Very low	56.5	Low	68 Å²	68	107 Å²	107	48%	0.476	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-29.9	0	158.8	-60.3	0	0	0	0	111.3
1042	S	49.2	Very low	59.6	Low	87 Å²	87	99.6 Å²	99.6	61%	0.608	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn		0	0	0	56.2	0	0	0	0	109.8	S1040	S1040-S1042 PolarHBondContact O-N 3.5Å
1043	N	55	Low	62.7	Low	156 Å²	156	98.2 Å²	98.2	83%	0.834	54%	0.536	S	S	*	.				0	42.1	0	-86.8	-16.9	0	0	0	109.9
1044	L	75.1	Confident	65.6	Low	73 Å²	73	99.2 Å²	99.2	38%	0.382	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-91.9	0	175.2	-68.9	159.7	0	0	0	109.7	Y1075 Y1084	L1044-Y1075 HydrophobicContact CB-CD1 3.6Å; L1044-Y1075 HydrophobicContact CB-CE1 4.33Å; L1044-Y1075 HydrophobicContact CB-CG 3.91Å; L1044-Y1075 HydrophobicContact CD1-CG 4.49Å; L1044-Y1075 WeakPolarHBondContact O-CE1 3.35Å; L1044-Y1084 HydrophobicContact CD1-CD1 4.27Å; L1044-Y1084 HydrophobicContact CD1-CE1 3.83Å
1045	H	82.5	Confident	68.6	Low	160 Å²	160	96 Å²	96	74%	0.741	51%	0.512	S	S	*	.	P	Polyproline II helix		0	133.6	0	-175.4	-85.1	0	0	0	110.6	L1047	H1045-L1047 PolarHBondContact O-N 3.16Å
1046	C	89.4	Confident	71.7	Confident	36 Å²	36	89.5 Å²	89.5	24%	0.243	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-64.6	0	-178.4	-179.6	0	0	0	0	110.5	G1048 I1074 Y1075	C1046-G1048 PolarHBondContact SG-O 2.83Å; C1046-I1074 CarbonylContact C-O 3.58Å; C1046-Y1075 HydrophobicContact CB-CE1 4.2Å
1047	L	90.5	Very high	74.3	Confident	107 Å²	107	91 Å²	91	56%	0.56	48%	0.484	S	S	*	.				0	-17.5	0	-64.8	173.3	0	0	0	111.2	H1045 I1074 Y1075	H1045-L1047 PolarHBondContact O-N 3.16Å; L1047-I1074 HydrophobicContact CB-CG2 4.37Å; L1047-I1074 WeakPolarHBondContact CB-O 3.46Å; L1047-I1074 PolarHBondContact N-O 3.25Å; L1047-Y1075 WeakPolarHBondContact CD1-O 3.22Å; L1047-Y1075 VanDerWaalsContact CG-O 3.26Å; L1047-Y1075 WeakPolarHBondContact CG-O 3.35Å
1048	G	93.3	Very high	77.2	Confident	11 Å²	11	85.3 Å²	85.3	11%	0.113	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.9	0	-177.6	0	0	0	0	0	110.2	C1046 I1074	C1046-G1048 PolarHBondContact SG-O 2.83Å; G1048-I1074 PolarHBondContact O-N 2.19Å
1049	W	95.3	Very high	79.5	Confident	137 Å²	137	88.9 Å²	88.9	52%	0.519	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)		0	146.9	0	-67.5	-89.7	0	0	0	109.2	I1071 I1072 F1102	W1049-I1071 HydrophobicContact CB-CG2 4.34Å; W1049-I1072 WeakPolarHBondContact CA-O 3.36Å; W1049-F1102 HydrophobicContact CB-CD2 4.5Å; W1049-F1102 HydrophobicContact CB-CE1 4.21Å; W1049-F1102 HydrophobicContact CB-CE2 3.86Å; W1049-F1102 HydrophobicContact CB-CZ 3.7Å; W1049-F1102 PolarHBondContact O-N 3.25Å
1050	A	94.9	Very high	82.1	Confident	0 Å²	0	91.2 Å²	91.2	0%	0	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	0	176.7	0	0	0	0	0	109.9	I1071 I1072 I1074 I1099 E1100	A1050-I1071 CarbonylContact O-C 3.24Å; A1050-I1071 WeakPolarHBondContact O-CA 3.26Å; A1050-I1072 PolarHBondContact N-O 3.49Å; A1050-I1072 PolarHBondContact O-N 3.23Å; A1050-I1074 HydrophobicContact CB-CD1 3.81Å; A1050-I1074 HydrophobicContact CB-CG1 4.31Å; A1050-I1099 HydrophobicContact CB-CB 4.15Å; A1050-I1099 HydrophobicContact CB-CD1 3.54Å; A1050-I1099 HydrophobicContact CB-CG1 4.49Å; A1050-E1100 WeakPolarHBondContact CA-O 2.4Å
1051	K	95.6	Very high	84.4	Confident	113 Å²	113	92.5 Å²	92.5	49%	0.491	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)		0	132.3	0	-174.7	177.3	179	179.5	0	110.1	Q1053 D1070 I1099 E1100 F1102	K1051-Q1053 PolarHBondContact O-N 2.85Å; K1051-D1070 WeakPolarHBondContact CA-O 2.93Å; K1051-I1099 CarbonylContact O-C 2.57Å; K1051-I1099 WeakPolarHBondContact O-CA 3.42Å; K1051-E1100 PolarHBondContact N-O 3.13Å; K1051-E1100 PolarHBondContact O-N 2.99Å; K1051-F1102 HydrophobicContact CB-CD1 4.01Å; K1051-F1102 HydrophobicContact CB-CE1 3.71Å; K1051-F1102 VanDerWaalsContact N-CE1 3.35Å
1052	V	96.5	Very high	86.6	Confident	1 Å²	1	93 Å²	93	1%	0.006	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	0	-177.9	178.7	0	0	0	0	109.8	R1054 L1066 Q1067 G1069 D1070 I1072 I1099	V1052-R1054 WeakPolarHBondContact CG1-O 3.4Å; V1052-L1066 HydrophobicContact CG1-CB 3.78Å; V1052-L1066 HydrophobicContact CG2-CB 4.12Å; V1052-L1066 HydrophobicContact CG2-CD2 4.07Å; V1052-L1066 HydrophobicContact CG2-CG 4.47Å; V1052-Q1067 WeakPolarHBondContact CB-O 3.45Å; V1052-G1069 PolarHBondContact O-N 2.65Å; V1052-D1070 HydrophobicContact CB-CB 4.39Å; V1052-D1070 HydrophobicContact CG2-CB 3.98Å; V1052-D1070 WeakPolarHBondContact CG2-O 3.2Å; V1052-D1070 PolarHBondContact N-O 3.38Å; V1052-I1072 HydrophobicContact CG2-CD1 3.21Å; V1052-I1072 HydrophobicContact CG2-CG1 3.68Å; V1052-I1099 HydrophobicContact CB-CG2 4.39Å; V1052-I1099 HydrophobicContact CG2-CG2 3.93Å
1053	Q	91.7	Very high	88.7	Confident	86 Å²	86	90.1 Å²	90.1	40%	0.402	45%	0.447	S	S	.	.				0	-25.8	0	-73	-163.8	-26.4	0	0	110.6	K1051 E1068 H1098 E1100	K1051-Q1053 PolarHBondContact O-N 2.85Å; Q1053-E1068 WeakPolarHBondContact O-CG 3.05Å; Q1053-H1098 PolarHBondContact N-O 2.53Å; Q1053-E1100 HydrophobicContact CG-CB 4Å; Q1053-E1100 PolarHBondContact NE2-OE2 2.85Å
1054	R	91.9	Very high	90.5	Very high	164 Å²	164	83 Å²	83	62%	0.619	41%	0.409	S	S	*	.	S	Bend	trans	-136.3	144.4	179.9	-67.9	-176.4	-164.6	164.8	-0.2	109.3	V1052 H1098	V1052-R1054 WeakPolarHBondContact CG1-O 3.4Å; R1054-H1098 HydrophobicContact CB-CB 4.43Å; R1054-H1098 PolarHBondContact N-O 3.43Å
1055	N	92.6	Very high	91.4	Very high	94 Å²	94	83.5 Å²	83.5	50%	0.503	41%	0.409	S	S	.	.			trans	-68.7	143.7	179.3	-63.9	-33.4	0	0	0	111	L1066 Q1067 E1068 H1098	N1055-L1066 CarbonylContact C-O 3.44Å; N1055-L1066 VanDerWaalsContact CA-O 3.29Å; N1055-L1066 WeakPolarHBondContact CA-O 2.99Å; N1055-Q1067 WeakPolarHBondContact OD1-CA 3.39Å; N1055-E1068 WeakPolarHBondContact OD1-CA 2.77Å; N1055-E1068 VanDerWaalsContact OD1-CB 3.29Å; N1055-E1068 WeakPolarHBondContact OD1-CB 3.28Å; N1055-E1068 PolarHBondContact OD1-N 2.84Å; N1055-H1098 PolarHBondContact O-CD2 3.45Å
1056	Y	94.4	Very high	92	Very high	21 Å²	21	75.9 Å²	75.9	8%	0.082	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-136.5	0	177.8	175.9	-103.5	0	0	0	109	E1063 H1065 L1066 W1082 P1095 H1098	Y1056-E1063 HydrophobicContact CE1-CB 4.41Å; Y1056-E1063 WeakPolarHBondContact CE1-OE2 3.18Å; Y1056-E1063 VanDerWaalsContact OH-CD 3.29Å; Y1056-E1063 PolarHBondContact OH-OE2 3.38Å; Y1056-H1065 PolarHBondContact O-CD2 3.37Å; Y1056-H1065 VanDerWaalsContact O-CD2 3.3Å; Y1056-L1066 PolarHBondContact N-O 3.46Å; Y1056-L1066 PolarHBondContact O-N 2.7Å; Y1056-W1082 AromaticContact CZ-CH2 3.9Å; Y1056-W1082 WeakPolarHBondContact OH-CH2 3.08Å; Y1056-P1095 HydrophobicContact CD1-CG 4.21Å; Y1056-P1095 HydrophobicContact CD2-CG 3.68Å; Y1056-P1095 HydrophobicContact CE1-CG 4.25Å; Y1056-P1095 HydrophobicContact CE2-CG 3.73Å; Y1056-P1095 HydrophobicContact CG-CG 3.93Å; Y1056-H1098 AromaticContact CD2-NE2 3.93Å
1057	L	90.8	Very high	92.1	Very high	134 Å²	134	79.5 Å²	79.5	70%	0.702	39%	0.387	S	S	*	.				0	129.6	0	-76.8	145.6	0	0	0	109.7
1058	P	90.7	Very high	92.2	Very high	54 Å²	54	80.5 Å²	80.5	35%	0.351	39%	0.389	S	S	.	.			trans	-65.2	133.7	-176.3	16.6	-19.4	0	0	0	112	E1063 H1065	P1058-E1063 HydrophobicContact CB-CB 3.83Å; P1058-H1065 HydrophobicContact CG-CB 4.01Å
1059	R	87.5	Confident	92.1	Very high	212 Å²	212	81.9 Å²	81.9	80%	0.8	40%	0.403	S	S	*	.	S	Bend	trans	-96.5	-21.6	178.9	-69.6	-177.3	-177.1	169.3	0.2	110.1	E1063	R1059-E1063 PolarHBondContact N-OE2 2.88Å
1060	N	86.5	Confident	92.1	Very high	101 Å²	101	76.9 Å²	76.9	54%	0.54	39%	0.386	S	S	.	.	S	Bend	trans	-131.6	162.9	178.3	-59.5	-9.3	0	0	0	110.2	T1062 E1063	N1060-T1062 PolarHBondContact O-N 2.84Å; N1060-T1062 VanDerWaalsContact O-N 3.17Å; N1060-E1063 HydrophobicContact CB-CG 4.4Å; N1060-E1063 PolarHBondContact O-N 3.39Å; N1060-E1063 VanDerWaalsContact O-N 3.15Å
1061	S	85.8	Confident	92.1	Very high	127 Å²	127	81.6 Å²	81.6	89%	0.888	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-11.8	-174.5	59.6	0	0	0	0	111.3	E1063	S1061-E1063 VanDerWaalsContact C-N 3.3Å
1062	T	89.4	Confident	92.1	Very high	79 Å²	79	76.2 Å²	76.2	49%	0.485	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	0	-178.2	53.9	0	0	0	0	110.6	N1060 G1092 L1093	N1060-T1062 PolarHBondContact O-N 2.84Å; N1060-T1062 VanDerWaalsContact O-N 3.17Å; T1062-G1092 WeakPolarHBondContact O-CA 3.31Å; T1062-L1093 PolarHBondContact O-N 3.39Å
1063	E	93.6	Very high	92.1	Very high	26 Å²	26	77.7 Å²	77.7	12%	0.121	40%	0.397	C	S	.	.	B	Isolated β-bridge		0	157.3	0	-62.8	177.6	-172.7	0	0	109.4	Y1056 P1058 R1059 N1060 S1061 W1082 L1093	Y1056-E1063 HydrophobicContact CE1-CB 4.41Å; Y1056-E1063 WeakPolarHBondContact CE1-OE2 3.18Å; Y1056-E1063 VanDerWaalsContact OH-CD 3.29Å; Y1056-E1063 PolarHBondContact OH-OE2 3.38Å; P1058-E1063 HydrophobicContact CB-CB 3.83Å; R1059-E1063 PolarHBondContact N-OE2 2.88Å; N1060-E1063 HydrophobicContact CB-CG 4.4Å; N1060-E1063 PolarHBondContact O-N 3.39Å; N1060-E1063 VanDerWaalsContact O-N 3.15Å; S1061-E1063 VanDerWaalsContact C-N 3.3Å; E1063-W1082 HydrophobicContact CG-CH2 4.44Å; E1063-W1082 HydrophobicContact CG-CZ3 4.04Å; E1063-W1082 WeakPolarHBondContact OE1-CH2 3.12Å; E1063-L1093 VanDerWaalsContact CA-O 3.29Å; E1063-L1093 WeakPolarHBondContact CA-O 3.17Å; E1063-L1093 HydrophobicContact CG-CB 4.46Å
1064	I	93.4	Very high	92.3	Very high	7 Å²	7	73.6 Å²	73.6	4%	0.036	38%	0.378	C	S	.	.			trans	-116.6	144.5	-175.9	55.3	171	0	0	0	108.4	L1066 V1087 K1091 L1093 F1094	I1064-L1066 HydrophobicContact CD1-CD2 3.88Å; I1064-L1066 HydrophobicContact CG1-CD2 4.06Å; I1064-V1087 HydrophobicContact CB-CG1 4.45Å; I1064-V1087 HydrophobicContact CD1-CB 4.46Å; I1064-V1087 HydrophobicContact CD1-CG1 3.6Å; I1064-V1087 HydrophobicContact CG1-CG1 4.4Å; I1064-K1091 WeakPolarHBondContact CG2-O 3.24Å; I1064-L1093 WeakPolarHBondContact CG1-O 3.36Å; I1064-L1093 PolarHBondContact N-O 3.42Å; I1064-F1094 HydrophobicContact CD1-CB 4.2Å; I1064-F1094 HydrophobicContact CD1-CD1 3.65Å; I1064-F1094 HydrophobicContact CD1-CE1 4.49Å; I1064-F1094 HydrophobicContact CD1-CG 4.31Å; I1064-F1094 HydrophobicContact CG1-CB 3.98Å; I1064-F1094 HydrophobicContact CG1-CD1 4.26Å
1065	H	92.9	Very high	92.5	Very high	83 Å²	83	67.6 Å²	67.6	38%	0.384	36%	0.356	S	S	.	.			trans	-73.5	130	179	179.2	-109	0	0	0	110.9	Y1056 P1058	Y1056-H1065 PolarHBondContact O-CD2 3.37Å; Y1056-H1065 VanDerWaalsContact O-CD2 3.3Å; P1058-H1065 HydrophobicContact CG-CB 4.01Å
1066	L	94.8	Very high	92.5	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-118.5	131.4	-178.9	-58.7	176.1	0	0	0	110.1	V1052 N1055 Y1056 I1064 I1072 V1087 F1094 I1099	V1052-L1066 HydrophobicContact CG1-CB 3.78Å; V1052-L1066 HydrophobicContact CG2-CB 4.12Å; V1052-L1066 HydrophobicContact CG2-CD2 4.07Å; V1052-L1066 HydrophobicContact CG2-CG 4.47Å; N1055-L1066 CarbonylContact C-O 3.44Å; N1055-L1066 VanDerWaalsContact CA-O 3.29Å; N1055-L1066 WeakPolarHBondContact CA-O 2.99Å; Y1056-L1066 PolarHBondContact N-O 3.46Å; Y1056-L1066 PolarHBondContact O-N 2.7Å; I1064-L1066 HydrophobicContact CD1-CD2 3.88Å; I1064-L1066 HydrophobicContact CG1-CD2 4.06Å; L1066-I1072 HydrophobicContact CD1-CD1 4.01Å; L1066-I1072 HydrophobicContact CD2-CD1 3.21Å; L1066-I1072 HydrophobicContact CD2-CG1 3.98Å; L1066-I1072 HydrophobicContact CG-CD1 4.21Å; L1066-V1087 HydrophobicContact CD2-CB 4.47Å; L1066-V1087 HydrophobicContact CD2-CG1 3.88Å; L1066-F1094 HydrophobicContact CD1-CB 3.36Å; L1066-F1094 HydrophobicContact CD1-CD2 4.35Å; L1066-F1094 HydrophobicContact CD1-CG 4.13Å; L1066-F1094 HydrophobicContact CD2-CB 4.27Å; L1066-F1094 HydrophobicContact CG-CB 4.12Å; L1066-I1099 HydrophobicContact CD1-CG2 4.28Å
1067	Q	92.1	Very high	92.4	Very high	112 Å²	112	73.4 Å²	73.4	52%	0.523	37%	0.373	S	S	.	.			trans	-112.3	133.7	174.7	-154.7	169	-19.4	0	0	109.8	V1052 N1055 G1069 D1070	V1052-Q1067 WeakPolarHBondContact CB-O 3.45Å; N1055-Q1067 WeakPolarHBondContact OD1-CA 3.39Å; Q1067-G1069 PolarHBondContact O-N 3.41Å; Q1067-G1069 VanDerWaalsContact O-N 3.1Å; Q1067-D1070 WeakPolarHBondContact CB-OD2 3.11Å; Q1067-D1070 PolarHBondContact N-OD2 2.7Å; Q1067-D1070 VanDerWaalsContact O-CB 3.29Å; Q1067-D1070 WeakPolarHBondContact O-CB 3.24Å; Q1067-D1070 VanDerWaalsContact O-CG 3.22Å; Q1067-D1070 PolarHBondContact O-N 2.38Å
1068	E	93.5	Very high	92.3	Very high	129 Å²	129	70.3 Å²	70.3	60%	0.603	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	124.8	-178.2	-169.4	174.3	175.9	0	0	110.5	Q1053 N1055	Q1053-E1068 WeakPolarHBondContact O-CG 3.05Å; N1055-E1068 WeakPolarHBondContact OD1-CA 2.77Å; N1055-E1068 VanDerWaalsContact OD1-CB 3.29Å; N1055-E1068 WeakPolarHBondContact OD1-CB 3.28Å; N1055-E1068 PolarHBondContact OD1-N 2.84Å
1069	G	90.8	Very high	92.1	Very high	39 Å²	39	71.4 Å²	71.4	40%	0.402	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	107.6	-12.1	176.1	0	0	0	0	0	110.5	V1052 Q1067	V1052-G1069 PolarHBondContact O-N 2.65Å; Q1067-G1069 PolarHBondContact O-N 3.41Å; Q1067-G1069 VanDerWaalsContact O-N 3.1Å
1070	D	94.7	Very high	92.1	Very high	33 Å²	33	66.9 Å²	66.9	18%	0.176	36%	0.356	C	S	.	.			trans	-74.6	0	179.8	-73.9	-9.5	0	0	0	111.1	K1051 V1052 Q1067 V1087	K1051-D1070 WeakPolarHBondContact CA-O 2.93Å; V1052-D1070 HydrophobicContact CB-CB 4.39Å; V1052-D1070 HydrophobicContact CG2-CB 3.98Å; V1052-D1070 WeakPolarHBondContact CG2-O 3.2Å; V1052-D1070 PolarHBondContact N-O 3.38Å; Q1067-D1070 WeakPolarHBondContact CB-OD2 3.11Å; Q1067-D1070 PolarHBondContact N-OD2 2.7Å; Q1067-D1070 VanDerWaalsContact O-CB 3.29Å; Q1067-D1070 WeakPolarHBondContact O-CB 3.24Å; Q1067-D1070 VanDerWaalsContact O-CG 3.22Å; Q1067-D1070 PolarHBondContact O-N 2.38Å; D1070-V1087 HydrophobicContact CB-CG2 3.7Å
1071	I	95.7	Very high	92.3	Very high	98 Å²	98	66 Å²	66	50%	0.503	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)		0	130.6	0	-61.6	-168.6	0	0	0	108.4	W1049 A1050 F1102	W1049-I1071 HydrophobicContact CB-CG2 4.34Å; A1050-I1071 CarbonylContact O-C 3.24Å; A1050-I1071 WeakPolarHBondContact O-CA 3.26Å; I1071-F1102 HydrophobicContact CD1-CZ 4.22Å; I1071-F1102 HydrophobicContact CG2-CE1 4.44Å; I1071-F1102 HydrophobicContact CG2-CZ 3.95Å
1072	I	95.9	Very high	92.7	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	130.8	-175.2	-62.2	169.9	0	0	0	108.3	W1049 A1050 V1052 L1066 V1087 F1094 I1099	W1049-I1072 WeakPolarHBondContact CA-O 3.36Å; A1050-I1072 PolarHBondContact N-O 3.49Å; A1050-I1072 PolarHBondContact O-N 3.23Å; V1052-I1072 HydrophobicContact CG2-CD1 3.21Å; V1052-I1072 HydrophobicContact CG2-CG1 3.68Å; L1066-I1072 HydrophobicContact CD1-CD1 4.01Å; L1066-I1072 HydrophobicContact CD2-CD1 3.21Å; L1066-I1072 HydrophobicContact CD2-CG1 3.98Å; L1066-I1072 HydrophobicContact CG-CD1 4.21Å; I1072-V1087 HydrophobicContact CG1-CB 3.87Å; I1072-V1087 HydrophobicContact CG1-CG2 4.16Å; I1072-F1094 HydrophobicContact CB-CZ 4.49Å; I1072-F1094 HydrophobicContact CD1-CD1 4.5Å; I1072-F1094 HydrophobicContact CD1-CD2 4.13Å; I1072-F1094 HydrophobicContact CD1-CE2 4.25Å; I1072-F1094 HydrophobicContact CD1-CG 4.25Å; I1072-F1094 HydrophobicContact CD1-CZ 4.49Å; I1072-F1094 HydrophobicContact CG2-CD1 4.09Å; I1072-F1094 HydrophobicContact CG2-CE1 3.42Å; I1072-F1094 VanDerWaalsContact CG2-CE1 3.42Å; I1072-F1094 HydrophobicContact CG2-CE2 4.36Å; I1072-F1094 HydrophobicContact CG2-CZ 3.58Å; I1072-I1099 HydrophobicContact CD1-CG2 3.67Å
1073	S	96.2	Very high	93.1	Very high	32 Å²	32	60.9 Å²	60.9	22%	0.224	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	124	169.1	-57.3	0	0	0	0	111.2	G1085 E1086	S1073-G1085 CarbonylContact O-C 3.53Å; S1073-G1085 WeakPolarHBondContact O-CA 3.22Å; S1073-E1086 PolarHBondContact N-O 3.14Å; S1073-E1086 PolarHBondContact O-N 2.76Å
1074	I	96.1	Very high	93.2	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.7	-173.3	-61.4	168	0	0	0	107.9	C1046 L1047 G1048 A1050 K1077 W1083 F1094 E1101	C1046-I1074 CarbonylContact C-O 3.58Å; L1047-I1074 HydrophobicContact CB-CG2 4.37Å; L1047-I1074 WeakPolarHBondContact CB-O 3.46Å; L1047-I1074 PolarHBondContact N-O 3.25Å; G1048-I1074 PolarHBondContact O-N 2.19Å; A1050-I1074 HydrophobicContact CB-CD1 3.81Å; A1050-I1074 HydrophobicContact CB-CG1 4.31Å; I1074-K1077 HydrophobicContact CG2-CG 4.33Å; I1074-W1083 HydrophobicContact CD1-CE3 3.9Å; I1074-W1083 HydrophobicContact CD1-CZ3 3.82Å; I1074-W1083 HydrophobicContact CG1-CE3 4.42Å; I1074-W1083 HydrophobicContact CG2-CE3 4.38Å; I1074-F1094 HydrophobicContact CG1-CZ 4.13Å; I1074-E1101 HydrophobicContact CD1-CG 4.3Å
1075	Y	94.7	Very high	93.2	Very high	38 Å²	38	61.6 Å²	61.6	15%	0.149	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	0	-179.2	-74.1	-65.6	0	0	0	110.5	L1044 C1046 L1047 Y1084 E1086	L1044-Y1075 HydrophobicContact CB-CD1 3.6Å; L1044-Y1075 HydrophobicContact CB-CE1 4.33Å; L1044-Y1075 HydrophobicContact CB-CG 3.91Å; L1044-Y1075 HydrophobicContact CD1-CG 4.49Å; L1044-Y1075 WeakPolarHBondContact O-CE1 3.35Å; C1046-Y1075 HydrophobicContact CB-CE1 4.2Å; L1047-Y1075 WeakPolarHBondContact CD1-O 3.22Å; L1047-Y1075 VanDerWaalsContact CG-O 3.26Å; L1047-Y1075 WeakPolarHBondContact CG-O 3.35Å; Y1075-Y1084 PolarHBondContact N-O 3.02Å; Y1075-E1086 HydrophobicContact CD2-CB 4.3Å; Y1075-E1086 HydrophobicContact CE2-CB 3.54Å; Y1075-E1086 PolarHBondContact OH-OE2 2.85Å; Y1075-E1086 VanDerWaalsContact OH-OE2 3.05Å
1076	R	92.8	Very high	93.3	Very high	140 Å²	140	59.4 Å²	59.4	53%	0.528	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)		0	0	0	-169	173	-178.1	-160.2	-0.9	109.5	Y1084	R1076-Y1084 PolarHBondContact N-O 3.42Å; R1076-Y1084 PolarHBondContact O-N 3.03Å
1077	K	92.5	Very high	93.2	Very high	98 Å²	98	59.6 Å²	59.6	43%	0.426	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)		0	96.1	0	-65.3	-178.2	-178.6	179.7	0	109.7	I1074 W1083 E1101	I1074-K1077 HydrophobicContact CG2-CG 4.33Å; K1077-W1083 VanDerWaalsContact CA-CD1 3.48Å; K1077-W1083 HydrophobicContact CB-CD2 4.45Å; K1077-W1083 HydrophobicContact CB-CG 4.26Å; K1077-W1083 HydrophobicContact CD-CD2 4.4Å; K1077-W1083 HydrophobicContact CD-CH2 4.2Å; K1077-W1083 HydrophobicContact CD-CZ2 3.72Å; K1077-W1083 HydrophobicContact CG-CD2 3.81Å; K1077-W1083 HydrophobicContact CG-CE3 4.42Å; K1077-W1083 HydrophobicContact CG-CG 4.02Å; K1077-W1083 HydrophobicContact CG-CZ2 4.05Å; K1077-E1101 IonicContact NZ-OE1 3.6Å; K1077-E1101 IonicContact NZ-OE2 3.18Å; K1077-E1101 PolarHBondContact NZ-OE2 3.2Å
1078	I	87.9	Confident	93	Very high	68 Å²	68	60.1 Å²	60.1	35%	0.349	30%	0.302	S	S	.	.			trans	-66.5	0	-172.9	-62.7	168.2	0	0	0	110	W1082 L1093	I1078-W1082 WeakPolarHBondContact CB-O 3.27Å; I1078-W1082 PolarHBondContact N-O 3.25Å; I1078-L1093 HydrophobicContact CD1-CD1 4.38Å; I1078-L1093 HydrophobicContact CD1-CD2 2.64Å; I1078-L1093 HydrophobicContact CD1-CG 4.04Å; I1078-L1093 HydrophobicContact CG1-CD2 4.07Å
1079	N	88	Confident	92.7	Very high	77 Å²	77	61 Å²	61	41%	0.412	31%	0.311	S	S	.	.	S	Bend		0	-170.9	0	57.9	7.8	0	0	0	110.2	D1081 W1082 W1083	N1079-D1081 PolarHBondContact O-N 3.38Å; N1079-D1081 PolarHBondContact OD1-N 3.47Å; N1079-D1081 VanDerWaalsContact OD1-N 3.1Å; N1079-W1082 PolarHBondContact N-O 2.82Å; N1079-W1082 VanDerWaalsContact N-O 3.12Å; N1079-W1082 WeakPolarHBondContact OD1-CA 2.89Å; N1079-W1082 VanDerWaalsContact OD1-CB 3.24Å; N1079-W1082 WeakPolarHBondContact OD1-CB 3.42Å; N1079-W1082 PolarHBondContact OD1-N 2.54Å; N1079-W1082 PolarHBondContact OD1-O 2.8Å; N1079-W1082 VanDerWaalsContact OD1-O 3.13Å; N1079-W1083 PolarHBondContact O-NE1 3.4Å; N1079-W1083 VanDerWaalsContact O-NE1 3.08Å
1080	T	86.5	Confident	92.6	Very high	118 Å²	118	65.9 Å²	65.9	72%	0.724	32%	0.321	S	S	*	.	S	Bend	trans	-70	-9.4	-172.4	51.2	0	0	0	0	110.8
1081	D	91.3	Very high	92.6	Very high	81 Å²	81	68.1 Å²	68.1	43%	0.433	33%	0.33	S	S	.	.	S	Bend	trans	-118.6	-21.6	-174.2	-67.2	-31.2	0	0	0	110.3	N1079 P1095 V1096	N1079-D1081 PolarHBondContact O-N 3.38Å; N1079-D1081 PolarHBondContact OD1-N 3.47Å; N1079-D1081 VanDerWaalsContact OD1-N 3.1Å; D1081-P1095 CarbonylContact O-C 3.46Å; D1081-P1095 WeakPolarHBondContact O-CA 3.39Å; D1081-V1096 WeakPolarHBondContact O-CG2 3.5Å; D1081-V1096 PolarHBondContact O-N 3.34Å
1082	W	94.4	Very high	92.5	Very high	74 Å²	74	63.6 Å²	63.6	28%	0.28	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	131.8	-171.2	-73.5	92.8	0	0	0	108.8	Y1056 E1063 I1078 N1079 L1093 P1095	Y1056-W1082 AromaticContact CZ-CH2 3.9Å; Y1056-W1082 WeakPolarHBondContact OH-CH2 3.08Å; E1063-W1082 HydrophobicContact CG-CH2 4.44Å; E1063-W1082 HydrophobicContact CG-CZ3 4.04Å; E1063-W1082 WeakPolarHBondContact OE1-CH2 3.12Å; I1078-W1082 WeakPolarHBondContact CB-O 3.27Å; I1078-W1082 PolarHBondContact N-O 3.25Å; N1079-W1082 PolarHBondContact N-O 2.82Å; N1079-W1082 VanDerWaalsContact N-O 3.12Å; N1079-W1082 WeakPolarHBondContact OD1-CA 2.89Å; N1079-W1082 VanDerWaalsContact OD1-CB 3.24Å; N1079-W1082 WeakPolarHBondContact OD1-CB 3.42Å; N1079-W1082 PolarHBondContact OD1-N 2.54Å; N1079-W1082 PolarHBondContact OD1-O 2.8Å; N1079-W1082 VanDerWaalsContact OD1-O 3.13Å; W1082-L1093 HydrophobicContact CE3-CB 4.07Å; W1082-P1095 HydrophobicContact CH2-CB 4.45Å; W1082-P1095 HydrophobicContact CH2-CG 4.46Å; W1082-P1095 HydrophobicContact CZ3-CB 4.4Å; W1082-P1095 HydrophobicContact CZ3-CG 4.36Å
1083	W	96.4	Very high	92.5	Very high	25 Å²	25	65 Å²	65	10%	0.095	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	162.4	176.8	-69.1	-8.1	0	0	0	109.5	I1074 K1077 N1079 L1093 F1094 V1096 I1099	I1074-W1083 HydrophobicContact CD1-CE3 3.9Å; I1074-W1083 HydrophobicContact CD1-CZ3 3.82Å; I1074-W1083 HydrophobicContact CG1-CE3 4.42Å; I1074-W1083 HydrophobicContact CG2-CE3 4.38Å; K1077-W1083 VanDerWaalsContact CA-CD1 3.48Å; K1077-W1083 HydrophobicContact CB-CD2 4.45Å; K1077-W1083 HydrophobicContact CB-CG 4.26Å; K1077-W1083 HydrophobicContact CD-CD2 4.4Å; K1077-W1083 HydrophobicContact CD-CH2 4.2Å; K1077-W1083 HydrophobicContact CD-CZ2 3.72Å; K1077-W1083 HydrophobicContact CG-CD2 3.81Å; K1077-W1083 HydrophobicContact CG-CE3 4.42Å; K1077-W1083 HydrophobicContact CG-CG 4.02Å; K1077-W1083 HydrophobicContact CG-CZ2 4.05Å; N1079-W1083 PolarHBondContact O-NE1 3.4Å; N1079-W1083 VanDerWaalsContact O-NE1 3.08Å; W1083-L1093 CarbonylContact O-C 3.49Å; W1083-L1093 WeakPolarHBondContact O-CA 3.17Å; W1083-F1094 HydrophobicContact CB-CE1 4.29Å; W1083-F1094 HydrophobicContact CB-CE2 3.92Å; W1083-F1094 HydrophobicContact CB-CZ 3.78Å; W1083-F1094 HydrophobicContact CE3-CE2 4.19Å; W1083-F1094 HydrophobicContact CE3-CZ 4.43Å; W1083-F1094 PolarHBondContact N-O 2.53Å; W1083-F1094 PolarHBondContact O-N 3.42Å; W1083-V1096 HydrophobicContact CB-CG2 4.36Å; W1083-V1096 VanDerWaalsContact CD1-CG2 3.44Å; W1083-V1096 HydrophobicContact CD2-CG2 3.32Å; W1083-V1096 HydrophobicContact CE3-CG2 4.02Å; W1083-V1096 HydrophobicContact CG-CG2 3.47Å; W1083-V1096 VanDerWaalsContact CG-CG2 3.47Å; W1083-V1096 HydrophobicContact CH2-CG1 3.95Å; W1083-V1096 HydrophobicContact CH2-CG2 4.39Å; W1083-V1096 HydrophobicContact CZ2-CG1 3.91Å; W1083-V1096 HydrophobicContact CZ2-CG2 3.82Å; W1083-V1096 HydrophobicContact CZ3-CG1 4.32Å; W1083-V1096 HydrophobicContact CZ3-CG2 4.49Å; W1083-V1096 VanDerWaalsContact NE1-CG2 3.29Å; W1083-I1099 HydrophobicContact CE3-CD1 3.72Å; W1083-I1099 HydrophobicContact CZ3-CD1 3.67Å
1084	Y	95.7	Very high	92.5	Very high	48 Å²	48	63.5 Å²	63.5	19%	0.188	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128.9	178.2	-173.4	-99.1	0	0	0	110.7	L1044 Y1075 R1076 K1091 L1093	L1044-Y1084 HydrophobicContact CD1-CD1 4.27Å; L1044-Y1084 HydrophobicContact CD1-CE1 3.83Å; Y1075-Y1084 PolarHBondContact N-O 3.02Å; R1076-Y1084 PolarHBondContact N-O 3.42Å; R1076-Y1084 PolarHBondContact O-N 3.03Å; Y1084-K1091 HydrophobicContact CE1-CB 4.44Å; Y1084-K1091 WeakPolarHBondContact OH-CB 3.4Å; Y1084-L1093 HydrophobicContact CD2-CD2 4.09Å; Y1084-L1093 HydrophobicContact CD2-CG 4.27Å
1085	G	95.1	Very high	92.4	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	-178.9	-175.4	0	0	0	0	0	110.3	S1073 K1091 G1092 F1094	S1073-G1085 CarbonylContact O-C 3.53Å; S1073-G1085 WeakPolarHBondContact O-CA 3.22Å; G1085-K1091 WeakPolarHBondContact O-CA 3.13Å; G1085-G1092 PolarHBondContact N-O 3.37Å; G1085-G1092 PolarHBondContact O-N 2.7Å; G1085-G1092 VanDerWaalsContact O-O 3.14Å; G1085-F1094 VanDerWaalsContact CA-CE1 3.44Å; G1085-F1094 VanDerWaalsContact N-CE1 3.3Å
1086	E	94.6	Very high	92.3	Very high	37 Å²	37	63.7 Å²	63.7	17%	0.173	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	130	-177.3	179.7	-179.1	174.9	0	0	110	S1073 Y1075 N1089 K1090 K1091	S1073-E1086 PolarHBondContact N-O 3.14Å; S1073-E1086 PolarHBondContact O-N 2.76Å; Y1075-E1086 HydrophobicContact CD2-CB 4.3Å; Y1075-E1086 HydrophobicContact CE2-CB 3.54Å; Y1075-E1086 PolarHBondContact OH-OE2 2.85Å; Y1075-E1086 VanDerWaalsContact OH-OE2 3.05Å; E1086-N1089 WeakPolarHBondContact OE1-CA 3.2Å; E1086-K1090 VanDerWaalsContact CA-O 3.31Å; E1086-K1090 WeakPolarHBondContact CA-O 3.46Å; E1086-K1091 HydrophobicContact CB-CG 3.77Å; E1086-K1091 HydrophobicContact CG-CG 3.77Å; E1086-K1091 VanDerWaalsContact OE2-CE 3.23Å; E1086-K1091 WeakPolarHBondContact OE2-CE 3.49Å
1087	V	92.1	Very high	92.4	Very high	5 Å²	5	62.7 Å²	62.7	3%	0.03	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	129.8	175.7	61.7	0	0	0	0	108.2	I1064 L1066 D1070 I1072 N1089 K1090	I1064-V1087 HydrophobicContact CB-CG1 4.45Å; I1064-V1087 HydrophobicContact CD1-CB 4.46Å; I1064-V1087 HydrophobicContact CD1-CG1 3.6Å; I1064-V1087 HydrophobicContact CG1-CG1 4.4Å; L1066-V1087 HydrophobicContact CD2-CB 4.47Å; L1066-V1087 HydrophobicContact CD2-CG1 3.88Å; D1070-V1087 HydrophobicContact CB-CG2 3.7Å; I1072-V1087 HydrophobicContact CG1-CB 3.87Å; I1072-V1087 HydrophobicContact CG1-CG2 4.16Å; V1087-N1089 PolarHBondContact O-N 3.14Å; V1087-K1090 PolarHBondContact N-O 3.1Å; V1087-K1090 PolarHBondContact O-N 2.58Å
1088	N	87.6	Confident	92.4	Very high	122 Å²	122	60.1 Å²	60.1	65%	0.652	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	37.9	-177.9	-66.8	-25.2	0	0	0	111.3	K1090	N1088-K1090 PolarHBondContact O-N 3.41Å; N1088-K1090 VanDerWaalsContact O-N 3.09Å
1089	N	86.8	Confident	92.7	Very high	147 Å²	147	57.5 Å²	57.5	79%	0.786	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	12.5	174.8	-72.3	-16	0	0	0	111.5	E1086 V1087	E1086-N1089 WeakPolarHBondContact OE1-CA 3.2Å; V1087-N1089 PolarHBondContact O-N 3.14Å
1090	K	90.7	Very high	93	Very high	143 Å²	143	59 Å²	59	62%	0.622	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.3	172.3	-69.1	-175.8	-179.5	178.5	0	110	E1086 V1087 N1088	E1086-K1090 VanDerWaalsContact CA-O 3.31Å; E1086-K1090 WeakPolarHBondContact CA-O 3.46Å; V1087-K1090 PolarHBondContact N-O 3.1Å; V1087-K1090 PolarHBondContact O-N 2.58Å; N1088-K1090 PolarHBondContact O-N 3.41Å; N1088-K1090 VanDerWaalsContact O-N 3.09Å
1091	K	93.6	Very high	93.3	Very high	80 Å²	80	57.7 Å²	57.7	35%	0.348	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	135.4	-178.1	-68.5	-176.9	-179.2	179.1	0	109.7	I1064 Y1084 G1085 E1086	I1064-K1091 WeakPolarHBondContact CG2-O 3.24Å; Y1084-K1091 HydrophobicContact CE1-CB 4.44Å; Y1084-K1091 WeakPolarHBondContact OH-CB 3.4Å; G1085-K1091 WeakPolarHBondContact O-CA 3.13Å; E1086-K1091 HydrophobicContact CB-CG 3.77Å; E1086-K1091 HydrophobicContact CG-CG 3.77Å; E1086-K1091 VanDerWaalsContact OE2-CE 3.23Å; E1086-K1091 WeakPolarHBondContact OE2-CE 3.49Å
1092	G	94.6	Very high	93.2	Very high	2 Å²	2	61.3 Å²	61.3	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.7	178.7	179.5	0	0	0	0	0	110.2	T1062 G1085	T1062-G1092 WeakPolarHBondContact O-CA 3.31Å; G1085-G1092 PolarHBondContact N-O 3.37Å; G1085-G1092 PolarHBondContact O-N 2.7Å; G1085-G1092 VanDerWaalsContact O-O 3.14Å
1093	L	95.4	Very high	93.1	Very high	31 Å²	31	60.7 Å²	60.7	16%	0.162	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	0	-180	-68.7	165	0	0	0	111	T1062 E1063 I1064 I1078 W1082 W1083 Y1084	T1062-L1093 PolarHBondContact O-N 3.39Å; E1063-L1093 VanDerWaalsContact CA-O 3.29Å; E1063-L1093 WeakPolarHBondContact CA-O 3.17Å; E1063-L1093 HydrophobicContact CG-CB 4.46Å; I1064-L1093 WeakPolarHBondContact CG1-O 3.36Å; I1064-L1093 PolarHBondContact N-O 3.42Å; I1078-L1093 HydrophobicContact CD1-CD1 4.38Å; I1078-L1093 HydrophobicContact CD1-CD2 2.64Å; I1078-L1093 HydrophobicContact CD1-CG 4.04Å; I1078-L1093 HydrophobicContact CG1-CD2 4.07Å; W1082-L1093 HydrophobicContact CE3-CB 4.07Å; W1083-L1093 CarbonylContact O-C 3.49Å; W1083-L1093 WeakPolarHBondContact O-CA 3.17Å; Y1084-L1093 HydrophobicContact CD2-CD2 4.09Å; Y1084-L1093 HydrophobicContact CD2-CG 4.27Å
1094	F	94.8	Very high	92.9	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)		0	142.9	0	55.9	-90.4	0	0	0	109.1	I1064 L1066 I1072 I1074 W1083 G1085 I1099	I1064-F1094 HydrophobicContact CD1-CB 4.2Å; I1064-F1094 HydrophobicContact CD1-CD1 3.65Å; I1064-F1094 HydrophobicContact CD1-CE1 4.49Å; I1064-F1094 HydrophobicContact CD1-CG 4.31Å; I1064-F1094 HydrophobicContact CG1-CB 3.98Å; I1064-F1094 HydrophobicContact CG1-CD1 4.26Å; L1066-F1094 HydrophobicContact CD1-CB 3.36Å; L1066-F1094 HydrophobicContact CD1-CD2 4.35Å; L1066-F1094 HydrophobicContact CD1-CG 4.13Å; L1066-F1094 HydrophobicContact CD2-CB 4.27Å; L1066-F1094 HydrophobicContact CG-CB 4.12Å; I1072-F1094 HydrophobicContact CB-CZ 4.49Å; I1072-F1094 HydrophobicContact CD1-CD1 4.5Å; I1072-F1094 HydrophobicContact CD1-CD2 4.13Å; I1072-F1094 HydrophobicContact CD1-CE2 4.25Å; I1072-F1094 HydrophobicContact CD1-CG 4.25Å; I1072-F1094 HydrophobicContact CD1-CZ 4.49Å; I1072-F1094 HydrophobicContact CG2-CD1 4.09Å; I1072-F1094 HydrophobicContact CG2-CE1 3.42Å; I1072-F1094 VanDerWaalsContact CG2-CE1 3.42Å; I1072-F1094 HydrophobicContact CG2-CE2 4.36Å; I1072-F1094 HydrophobicContact CG2-CZ 3.58Å; I1074-F1094 HydrophobicContact CG1-CZ 4.13Å; W1083-F1094 HydrophobicContact CB-CE1 4.29Å; W1083-F1094 HydrophobicContact CB-CE2 3.92Å; W1083-F1094 HydrophobicContact CB-CZ 3.78Å; W1083-F1094 HydrophobicContact CE3-CE2 4.19Å; W1083-F1094 HydrophobicContact CE3-CZ 4.43Å; W1083-F1094 PolarHBondContact N-O 2.53Å; W1083-F1094 PolarHBondContact O-N 3.42Å; G1085-F1094 VanDerWaalsContact CA-CE1 3.44Å; G1085-F1094 VanDerWaalsContact N-CE1 3.3Å; F1094-I1099 HydrophobicContact CD2-CD1 4.24Å; F1094-I1099 HydrophobicContact CD2-CG1 4.33Å; F1094-I1099 HydrophobicContact CD2-CG2 4.16Å; F1094-I1099 HydrophobicContact CE2-CD1 3.53Å; F1094-I1099 HydrophobicContact CE2-CG1 4.12Å; F1094-I1099 HydrophobicContact CE2-CG2 4.36Å
1095	P	94	Very high	92.8	Very high	13 Å²	13	63.3 Å²	63.3	8%	0.084	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	138.9	-178.4	22.6	-27.1	0	0	0	111.8	Y1056 D1081 W1082 N1097 H1098	Y1056-P1095 HydrophobicContact CD1-CG 4.21Å; Y1056-P1095 HydrophobicContact CD2-CG 3.68Å; Y1056-P1095 HydrophobicContact CE1-CG 4.25Å; Y1056-P1095 HydrophobicContact CE2-CG 3.73Å; Y1056-P1095 HydrophobicContact CG-CG 3.93Å; D1081-P1095 CarbonylContact O-C 3.46Å; D1081-P1095 WeakPolarHBondContact O-CA 3.39Å; W1082-P1095 HydrophobicContact CH2-CB 4.45Å; W1082-P1095 HydrophobicContact CH2-CG 4.46Å; W1082-P1095 HydrophobicContact CZ3-CB 4.4Å; W1082-P1095 HydrophobicContact CZ3-CG 4.36Å; P1095-N1097 VanDerWaalsContact C-N 3.25Å; P1095-N1097 PolarHBondContact O-N 2.48Å; P1095-H1098 HydrophobicContact CG-CB 4.46Å; P1095-H1098 VanDerWaalsContact CG-ND1 3.3Å; P1095-H1098 WeakPolarHBondContact CG-ND1 3.46Å; P1095-H1098 PolarHBondContact O-N 2.66Å
1096	V	93.8	Very high	92.6	Very high	28 Å²	28	67.1 Å²	67.1	17%	0.17	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-71.7	-25.5	-174.1	177	0	0	0	0	109.6	D1081 W1083 H1098 I1099	D1081-V1096 WeakPolarHBondContact O-CG2 3.5Å; D1081-V1096 PolarHBondContact O-N 3.34Å; W1083-V1096 HydrophobicContact CB-CG2 4.36Å; W1083-V1096 VanDerWaalsContact CD1-CG2 3.44Å; W1083-V1096 HydrophobicContact CD2-CG2 3.32Å; W1083-V1096 HydrophobicContact CE3-CG2 4.02Å; W1083-V1096 HydrophobicContact CG-CG2 3.47Å; W1083-V1096 VanDerWaalsContact CG-CG2 3.47Å; W1083-V1096 HydrophobicContact CH2-CG1 3.95Å; W1083-V1096 HydrophobicContact CH2-CG2 4.39Å; W1083-V1096 HydrophobicContact CZ2-CG1 3.91Å; W1083-V1096 HydrophobicContact CZ2-CG2 3.82Å; W1083-V1096 HydrophobicContact CZ3-CG1 4.32Å; W1083-V1096 HydrophobicContact CZ3-CG2 4.49Å; W1083-V1096 VanDerWaalsContact NE1-CG2 3.29Å; V1096-H1098 PolarHBondContact O-N 2.53Å; V1096-I1099 WeakPolarHBondContact O-CG1 1.7Å; V1096-I1099 PolarHBondContact O-N 3.43Å; V1096-I1099 VanDerWaalsContact O-N 3.09Å
1097	N	93.7	Very high	92.5	Very high	119 Å²	119	68.9 Å²	68.9	64%	0.636	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-70.4	-7.1	-176.4	-71.1	-4.4	0	0	0	111.5	P1095	P1095-N1097 VanDerWaalsContact C-N 3.25Å; P1095-N1097 PolarHBondContact O-N 2.48Å
1098	H	93.4	Very high	92.6	Very high	44 Å²	44	73.2 Å²	73.2	20%	0.204	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-104.3	3.5	-178	-71.9	73.9	0	0	0	110.4	Q1053 R1054 N1055 Y1056 P1095 V1096	Q1053-H1098 PolarHBondContact N-O 2.53Å; R1054-H1098 HydrophobicContact CB-CB 4.43Å; R1054-H1098 PolarHBondContact N-O 3.43Å; N1055-H1098 PolarHBondContact O-CD2 3.45Å; Y1056-H1098 AromaticContact CD2-NE2 3.93Å; P1095-H1098 HydrophobicContact CG-CB 4.46Å; P1095-H1098 VanDerWaalsContact CG-ND1 3.3Å; P1095-H1098 WeakPolarHBondContact CG-ND1 3.46Å; P1095-H1098 PolarHBondContact O-N 2.66Å; V1096-H1098 PolarHBondContact O-N 2.53Å
1099	I	95.1	Very high	92.9	Very high	14 Å²	14	69.7 Å²	69.7	7%	0.072	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	162	-173.9	50.8	138	0	0	0	108.1	A1050 K1051 V1052 L1066 I1072 W1083 F1094 V1096	A1050-I1099 HydrophobicContact CB-CB 4.15Å; A1050-I1099 HydrophobicContact CB-CD1 3.54Å; A1050-I1099 HydrophobicContact CB-CG1 4.49Å; K1051-I1099 CarbonylContact O-C 2.57Å; K1051-I1099 WeakPolarHBondContact O-CA 3.42Å; V1052-I1099 HydrophobicContact CB-CG2 4.39Å; V1052-I1099 HydrophobicContact CG2-CG2 3.93Å; L1066-I1099 HydrophobicContact CD1-CG2 4.28Å; I1072-I1099 HydrophobicContact CD1-CG2 3.67Å; W1083-I1099 HydrophobicContact CE3-CD1 3.72Å; W1083-I1099 HydrophobicContact CZ3-CD1 3.67Å; F1094-I1099 HydrophobicContact CD2-CD1 4.24Å; F1094-I1099 HydrophobicContact CD2-CG1 4.33Å; F1094-I1099 HydrophobicContact CD2-CG2 4.16Å; F1094-I1099 HydrophobicContact CE2-CD1 3.53Å; F1094-I1099 HydrophobicContact CE2-CG1 4.12Å; F1094-I1099 HydrophobicContact CE2-CG2 4.36Å; V1096-I1099 WeakPolarHBondContact O-CG1 1.7Å; V1096-I1099 PolarHBondContact O-N 3.43Å; V1096-I1099 VanDerWaalsContact O-N 3.09Å
1100	E	94	Very high	93.4	Very high	107 Å²	107	63.8 Å²	63.8	50%	0.5	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	118.4	172.3	-174.5	-178.6	178.9	0	0	109.1	A1050 K1051 Q1053	A1050-E1100 WeakPolarHBondContact CA-O 2.4Å; K1051-E1100 PolarHBondContact N-O 3.13Å; K1051-E1100 PolarHBondContact O-N 2.99Å; Q1053-E1100 HydrophobicContact CG-CB 4Å; Q1053-E1100 PolarHBondContact NE2-OE2 2.85Å
1101	E	93.1	Very high	93.6	Very high	92 Å²	92	57.2 Å²	57.2	43%	0.43	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	133.8	-177.7	-176.7	179.6	179.9	0	0	110.6	I1074 K1077	I1074-E1101 HydrophobicContact CD1-CG 4.3Å; K1077-E1101 IonicContact NZ-OE1 3.6Å; K1077-E1101 IonicContact NZ-OE2 3.18Å; K1077-E1101 PolarHBondContact NZ-OE2 3.2Å
1102	F	87.8	Confident	93.6	Very high	156 Å²	156	55.1 Å²	55.1	68%	0.684	27%	0.269	S	S	*	.			trans	-133.4	0	173.4	60.6	-88.1	0	0	0	109.2	W1049 K1051 I1071	W1049-F1102 HydrophobicContact CB-CD2 4.5Å; W1049-F1102 HydrophobicContact CB-CE1 4.21Å; W1049-F1102 HydrophobicContact CB-CE2 3.86Å; W1049-F1102 HydrophobicContact CB-CZ 3.7Å; W1049-F1102 PolarHBondContact O-N 3.25Å; K1051-F1102 HydrophobicContact CB-CD1 4.01Å; K1051-F1102 HydrophobicContact CB-CE1 3.71Å; K1051-F1102 VanDerWaalsContact N-CE1 3.35Å; I1071-F1102 HydrophobicContact CD1-CZ 4.22Å; I1071-F1102 HydrophobicContact CG2-CE1 4.44Å; I1071-F1102 HydrophobicContact CG2-CZ 3.95Å

Retrieved 1,102 of 1,102 residues in 937.4 ms (Link to these results)

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