A0A3Q0KT84_SCHMA Loading...

Protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A3Q0KT84, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,197 aa.

						>A0A3Q0KT84_SCHMA|A0A3Q0KT84
MVLKPYDKNEIDNERLLSVASCIIRDRLYFLSCKTPPRSNSSIHFFSIDEELCYENFYADFGPLSLGQLYKYCSKLNKKLKSGSLNEKKIAHFTSHDSRKRANAAFLIGSFQIIYLGRTPEEAYKHLTLNDNRPFLPFRDASFGASTYHLTLLDCLFAVNKALLNKFLDFDTFDLQEYEHFEKVENGDLSWIIPNKFLAFCGPHSQTKIENGYPLHSPEAYFPYFRKRNVTTIIRLNKKVYDAKRFTNAGFAHYDLFFTDGSCPSDQIMNRFLEICENVSGAIAVHCKAGLGRTGTLIGCYLMKHYKLTSREVIGWIRICRPGSIIGPQQHWLDLKQPICWQFGEIYRGKQRQLTTSHSVESSMSSDEDLNVAETVKLQTTVKKNDLLTQRSSENGLLVKSGRICKSVTPVSLARSNNNSNDLGIKNHCTIPSILCSEILFLNSHVQNQHKRCLSNNSNRNNTNNNSNNSMNKNIKLNIGNTRKTTKTTTTATTTTTTTNNNNNNDNNNIGSLAISTDNTASSNDSNNDNSGVSDSNSNSLSISSSIISNNSRSSSSSSASITETLTNSPRCYNITVKNINLSQSSNDQSKNASKSKNNKSLSKTNSDISSKCFDREVIINPNLIDKQKSKKLSKLNSKSRISQGDQLNRIKAMRRPMQQRLSDSPKRSNIKSTNCNSNLNRTFDCTSSNPTDIHDLYRGSVSCTSSITNIQDQLPGSTLTYSSSPDHYNNINSLYSNTRNRKSLNISPIYTGNNYSRTQPDAYTKCTPSTIVSPTVPSHFSRYSTRQSSNRNNSGSITVRVRNRIGVKRTKPTTDDNNNNNNNNNNLTITENIVEKEKLMGNSVSLLTNRSVVSPSMKTTTIITSDTSVPIKRASSTIKKSLNLGNTVPFATSADIIHNNCNDAKCNYGHHSSDLTNIPVYDNVAQSELDPLINMKYSPLSTNNRYSFSDVLNPVTMNYTDNFNVNNNNNKSHGSIKTPTYNLRQSVRQEQERHRLCKQKSSTSSDYFTKTNYIDSTVNTPSSRHSTKFPGTKTIRLPMTTLYSQDPLFIRNNQSAAAAAVKPSSPTVTYSVNKTSREPYFTRSVRARALHNSMTDLSNLLIGSHLSDYSNNSSSSSSSMTYDSLPPTSQNSNTSVNLYTSPSPSSLLSDLSVSNNTQTPLSFASLPMRFHFRHPNITKNNDQNHIHYGHSSYAFY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.3	Very low	51.4	Low	237 Å²	237	136.9 Å²	136.9	100%	1.167	68%	0.684	S	S	*	*				0	129.4	0	-72.6	173.9	168.3	0	0	108.4	L3	M1-L3 PolarHBondContact O-N 3.29Å
2	V	40.8	Very low	53.3	Low	145 Å²	145	132.7 Å²	132.7	88%	0.879	67%	0.665	S	S	*	*			trans	-83.5	111.1	168.6	179.9	0	0	0	0	107.7	K4	V2-K4 PolarHBondContact O-N 3.47Å
3	L	48.2	Very low	55.2	Low	151 Å²	151	123.2 Å²	123.2	79%	0.791	62%	0.618	S	S	*	*			trans	-66	119.4	169.7	-69.2	169.7	0	0	0	107.9	M1	M1-L3 PolarHBondContact O-N 3.29Å
4	K	53.4	Low	56.6	Low	183 Å²	183	119.6 Å²	119.6	80%	0.796	60%	0.598	S	S	*	*			trans	-58.9	136.3	168.9	-74.2	-171.8	175.4	-175	0	108.1	V2 Y6	V2-K4 PolarHBondContact O-N 3.47Å; K4-Y6 PolarHBondContact O-N 3.14Å
5	P	50.4	Low	58.2	Low	126 Å²	126	123.6 Å²	123.6	82%	0.818	60%	0.603	S	S	*	*			trans	-61.6	115.3	175.8	25.3	-32.9	0	0	0	108.8	D7	P5-D7 PolarHBondContact O-N 3.05Å
6	Y	47	Very low	59.8	Low	183 Å²	183	119.2 Å²	119.2	72%	0.718	58%	0.583	S	S	*	*			trans	-59.5	122.5	177.8	-98	-88.1	0	0	0	109.8	K4 K8	K4-Y6 PolarHBondContact O-N 3.14Å; Y6-K8 PolarHBondContact O-N 3.35Å
7	D	56	Low	61.2	Low	83 Å²	83	112.8 Å²	112.8	44%	0.444	55%	0.552	S	S	.	*			trans	-68.1	125.1	176.6	-174.5	-2.8	0	0	0	109.2	P5 N9 E10	P5-D7 PolarHBondContact O-N 3.05Å; D7-N9 PolarHBondContact O-N 3.02Å; D7-N9 VanDerWaalsContact O-N 3.15Å; D7-N9 PolarHBondContact OD1-N 3.24Å; D7-N9 PolarHBondContact OD1-ND2 3.11Å; D7-N9 PolarHBondContact OD2-ND2 3.12Å; D7-E10 HydrophobicContact CB-CB 4.48Å; D7-E10 WeakPolarHBondContact O-CB 3.26Å; D7-E10 PolarHBondContact O-N 3.12Å
8	K	56.7	Low	62.3	Low	157 Å²	157	111.4 Å²	111.4	68%	0.683	56%	0.556	S	S	*	*	H	α-helix	trans	-54.8	-33.5	175.7	-68.9	-177.2	178	178	0	111.6	Y6 E10 I11 D12	Y6-K8 PolarHBondContact O-N 3.35Å; K8-E10 PolarHBondContact O-N 2.91Å; K8-I11 PolarHBondContact O-N 3.11Å; K8-D12 PolarHBondContact O-N 3.13Å; K8-D12 VanDerWaalsContact O-N 3.12Å
9	N	59	Low	63.4	Low	75 Å²	75	110.2 Å²	110.2	40%	0.401	55%	0.554	S	S	.	*	H	α-helix	trans	-62.6	-27.6	176.6	-60.6	-83.2	0	0	0	112.9	D7 N13	D7-N9 PolarHBondContact O-N 3.02Å; D7-N9 VanDerWaalsContact O-N 3.15Å; D7-N9 PolarHBondContact OD1-N 3.24Å; D7-N9 PolarHBondContact OD1-ND2 3.11Å; D7-N9 PolarHBondContact OD2-ND2 3.12Å; N9-N13 VanDerWaalsContact O-CB 3.27Å; N9-N13 WeakPolarHBondContact O-CB 2.96Å; N9-N13 VanDerWaalsContact O-CG 3.23Å; N9-N13 PolarHBondContact O-N 3.32Å; N9-N13 VanDerWaalsContact O-N 3.08Å; N9-N13 PolarHBondContact O-ND2 3.11Å
10	E	57.3	Low	64.8	Low	60 Å²	60	104.8 Å²	104.8	28%	0.28	53%	0.528	S	S	.	.	H	α-helix	trans	-76.4	-40.2	179.6	-169.3	162.4	-130.4	0	0	111.6	D7 K8 N13 E14 S41	D7-E10 HydrophobicContact CB-CB 4.48Å; D7-E10 WeakPolarHBondContact O-CB 3.26Å; D7-E10 PolarHBondContact O-N 3.12Å; K8-E10 PolarHBondContact O-N 2.91Å; E10-N13 PolarHBondContact O-N 3.35Å; E10-E14 PolarHBondContact O-N 3.27Å; E10-E14 VanDerWaalsContact O-N 3.07Å; E10-S41 PolarHBondContact OE1-OG 2.93Å; E10-S41 VanDerWaalsContact OE1-OG 3.11Å
11	I	57.8	Low	66.1	Low	106 Å²	106	100 Å²	100	54%	0.544	50%	0.504	S	S	.	.	H	α-helix	trans	-62.9	-45.5	174	-59	175.5	0	0	0	110.5	K8 N13 R15	K8-I11 PolarHBondContact O-N 3.11Å; I11-N13 VanDerWaalsContact C-N 3.31Å; I11-N13 PolarHBondContact O-N 3.36Å; I11-R15 WeakPolarHBondContact O-CB 3.4Å; I11-R15 PolarHBondContact O-N 2.79Å; I11-R15 VanDerWaalsContact O-N 3.1Å
12	D	73.5	Confident	68.8	Low	86 Å²	86	90.9 Å²	90.9	46%	0.46	46%	0.463	S	S	.	.	H	α-helix	trans	-63.4	-36.5	176.1	-77.8	-31.7	0	0	0	112	K8 R15 L16	K8-D12 PolarHBondContact O-N 3.13Å; K8-D12 VanDerWaalsContact O-N 3.12Å; D12-R15 PolarHBondContact O-N 3.34Å; D12-L16 WeakPolarHBondContact O-CG 3.49Å; D12-L16 PolarHBondContact O-N 2.89Å
13	N	77.8	Confident	71.4	Confident	10 Å²	10	84 Å²	84	5%	0.053	42%	0.421	C	S	.	.	H	α-helix	trans	-71.2	-41.9	-179.9	-86.6	-15.3	0	0	0	114	N9 E10 I11 R15 L16 L17 R38 I43 F45	N9-N13 VanDerWaalsContact O-CB 3.27Å; N9-N13 WeakPolarHBondContact O-CB 2.96Å; N9-N13 VanDerWaalsContact O-CG 3.23Å; N9-N13 PolarHBondContact O-N 3.32Å; N9-N13 VanDerWaalsContact O-N 3.08Å; N9-N13 PolarHBondContact O-ND2 3.11Å; E10-N13 PolarHBondContact O-N 3.35Å; I11-N13 VanDerWaalsContact C-N 3.31Å; I11-N13 PolarHBondContact O-N 3.36Å; N13-R15 VanDerWaalsContact C-N 3.32Å; N13-L16 WeakPolarHBondContact O-CB 3.31Å; N13-L16 PolarHBondContact O-N 3.48Å; N13-L17 PolarHBondContact O-N 3.34Å; N13-L17 VanDerWaalsContact O-N 3.09Å; N13-R38 PolarHBondContact ND2-O 2.77Å; N13-I43 HydrophobicContact CB-CD1 3.87Å; N13-F45 HydrophobicContact CB-CE2 4.35Å; N13-F45 WeakPolarHBondContact OD1-CE2 3.46Å
14	E	75	Confident	73.6	Confident	73 Å²	73	79.1 Å²	79.1	34%	0.341	40%	0.395	S	S	.	.	H	α-helix	trans	-69.6	-31.7	173.2	-73.4	-67.8	163.6	0	0	111.3	E10 L16 L17 S18 K89	E10-E14 PolarHBondContact O-N 3.27Å; E10-E14 VanDerWaalsContact O-N 3.07Å; E14-L16 VanDerWaalsContact C-N 3.32Å; E14-L16 PolarHBondContact O-N 2.73Å; E14-L17 WeakPolarHBondContact O-CB 3.43Å; E14-L17 PolarHBondContact O-N 2.99Å; E14-L17 VanDerWaalsContact O-N 3.12Å; E14-L17 WeakPolarHBondContact OE2-CD1 3.38Å; E14-S18 PolarHBondContact O-N 3.15Å; E14-K89 IonicContact OE1-NZ 2.7Å; E14-K89 PolarHBondContact OE1-NZ 2.79Å; E14-K89 IonicContact OE2-NZ 2.77Å; E14-K89 PolarHBondContact OE2-NZ 3.26Å
15	R	81	Confident	75.5	Confident	179 Å²	179	79.9 Å²	79.9	68%	0.675	39%	0.393	S	S	*	.	H	α-helix	trans	-65.9	-31.6	170.1	-171.3	179.8	-176.9	-172.8	3.2	113	I11 D12 N13 S18	I11-R15 WeakPolarHBondContact O-CB 3.4Å; I11-R15 PolarHBondContact O-N 2.79Å; I11-R15 VanDerWaalsContact O-N 3.1Å; D12-R15 PolarHBondContact O-N 3.34Å; N13-R15 VanDerWaalsContact C-N 3.32Å; R15-S18 PolarHBondContact O-OG 3.05Å
16	L	83	Confident	77.4	Confident	53 Å²	53	78.7 Å²	78.7	28%	0.277	38%	0.38	S	S	.	.	H	α-helix	trans	-69.9	-31.6	170.3	-77	171.9	0	0	0	112.2	D12 N13 E14 V19 A20 L31 P37	D12-L16 WeakPolarHBondContact O-CG 3.49Å; D12-L16 PolarHBondContact O-N 2.89Å; N13-L16 WeakPolarHBondContact O-CB 3.31Å; N13-L16 PolarHBondContact O-N 3.48Å; E14-L16 VanDerWaalsContact C-N 3.32Å; E14-L16 PolarHBondContact O-N 2.73Å; L16-V19 WeakPolarHBondContact O-CG2 3.27Å; L16-A20 PolarHBondContact O-N 3.37Å; L16-L31 HydrophobicContact CB-CD1 3.99Å; L16-L31 HydrophobicContact CD2-CD1 4.45Å; L16-P37 HydrophobicContact CD1-CB 4.01Å
17	L	83.9	Confident	79.7	Confident	11 Å²	11	72.4 Å²	72.4	6%	0.058	36%	0.355	C	S	.	.	H	α-helix	trans	-72.6	-34.9	173.6	-77.1	175.6	0	0	0	113.4	N13 E14 V19 A20 Y29 I43 K89	N13-L17 PolarHBondContact O-N 3.34Å; N13-L17 VanDerWaalsContact O-N 3.09Å; E14-L17 WeakPolarHBondContact O-CB 3.43Å; E14-L17 PolarHBondContact O-N 2.99Å; E14-L17 VanDerWaalsContact O-N 3.12Å; E14-L17 WeakPolarHBondContact OE2-CD1 3.38Å; L17-V19 PolarHBondContact O-N 3.29Å; L17-A20 HydrophobicContact CD2-CB 4.45Å; L17-A20 WeakPolarHBondContact O-CB 3.41Å; L17-A20 PolarHBondContact O-N 2.92Å; L17-Y29 HydrophobicContact CD2-CD1 3.9Å; L17-Y29 HydrophobicContact CD2-CD2 3.87Å; L17-Y29 HydrophobicContact CD2-CE1 4.37Å; L17-Y29 HydrophobicContact CD2-CE2 4.36Å; L17-Y29 HydrophobicContact CD2-CG 3.62Å; L17-I43 HydrophobicContact CD1-CD1 3.44Å; L17-I43 VanDerWaalsContact CD1-CD1 3.44Å; L17-I43 HydrophobicContact CD1-CG1 3.78Å; L17-I43 HydrophobicContact CG-CD1 4.14Å; L17-K89 HydrophobicContact CD1-CD 3.38Å
18	S	80.7	Confident	81.7	Confident	88 Å²	88	68.5 Å²	68.5	62%	0.615	33%	0.334	S	S	*	.	H	α-helix	trans	-64.8	-21.8	178.4	63.4	0	0	0	0	113.5	E14 R15	E14-S18 PolarHBondContact O-N 3.15Å; R15-S18 PolarHBondContact O-OG 3.05Å
19	V	84.8	Confident	83.6	Confident	88 Å²	88	62 Å²	62	53%	0.533	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	1.8	172	-59.4	0	0	0	0	113.4	L16 L17	L16-V19 WeakPolarHBondContact O-CG2 3.27Å; L17-V19 PolarHBondContact O-N 3.29Å
20	A	90.6	Very high	85.4	Confident	2 Å²	2	58.8 Å²	58.8	2%	0.017	29%	0.288	C	S	.	.	S	Bend	trans	-82	142.1	178	0	0	0	0	0	111.3	L16 L17 C22 Y29 F30 L31 N130	L16-A20 PolarHBondContact O-N 3.37Å; L17-A20 HydrophobicContact CD2-CB 4.45Å; L17-A20 WeakPolarHBondContact O-CB 3.41Å; L17-A20 PolarHBondContact O-N 2.92Å; A20-C22 PolarHBondContact O-N 3.43Å; A20-Y29 HydrophobicContact CB-CD1 4.26Å; A20-F30 CarbonylContact C-O 3.53Å; A20-F30 WeakPolarHBondContact CA-O 3.31Å; A20-L31 HydrophobicContact CB-CB 3.86Å; A20-L31 HydrophobicContact CB-CD1 4.43Å; A20-N130 PolarHBondContact O-ND2 3.08Å
21	S	92.6	Very high	87.1	Confident	4 Å²	4	56.3 Å²	56.3	3%	0.028	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	113.6	167.1	-86.7	0	0	0	0	110.2	I23 Y29 F30 H126	S21-I23 PolarHBondContact O-N 3.12Å; S21-Y29 CarbonylContact O-C 3.59Å; S21-Y29 WeakPolarHBondContact O-CA 3.29Å; S21-F30 WeakPolarHBondContact CB-O 3.44Å; S21-F30 PolarHBondContact N-O 2.7Å; S21-F30 PolarHBondContact O-N 3.36Å; S21-H126 WeakPolarHBondContact CB-O 3.46Å; S21-H126 PolarHBondContact OG-O 2.78Å
22	C	94.5	Very high	88.8	Confident	45 Å²	45	51.9 Å²	51.9	30%	0.304	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	117.4	174.4	-175	0	0	0	0	110.1	A20 Y29 H126	A20-C22 PolarHBondContact O-N 3.43Å; C22-Y29 HydrophobicContact CB-CD1 4.29Å; C22-Y29 HydrophobicContact CB-CE1 4.18Å; C22-H126 PolarHBondContact O-ND1 3.35Å
23	I	96.3	Very high	89.6	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-51	-177.4	-51.2	-56.7	0	0	0	110.3	S21 L28 F30 I108 Q112 L116 R118 H126 L127	S21-I23 PolarHBondContact O-N 3.12Å; I23-L28 WeakPolarHBondContact CA-O 3.36Å; I23-L28 HydrophobicContact CB-CB 4.39Å; I23-L28 HydrophobicContact CB-CD2 4.21Å; I23-L28 HydrophobicContact CB-CG 4.06Å; I23-L28 WeakPolarHBondContact CB-O 3.36Å; I23-L28 HydrophobicContact CG2-CD2 4.01Å; I23-L28 HydrophobicContact CG2-CG 4.42Å; I23-L28 PolarHBondContact N-O 3.13Å; I23-F30 HydrophobicContact CD1-CB 4.29Å; I23-F30 HydrophobicContact CG1-CB 4.17Å; I23-I108 HydrophobicContact CG1-CD1 3.93Å; I23-Q112 HydrophobicContact CG2-CG 3.58Å; I23-L116 HydrophobicContact CG2-CD1 4.17Å; I23-R118 PolarHBondContact O-NH1 3.25Å; I23-R118 PolarHBondContact O-NH2 3.37Å; I23-H126 HydrophobicContact CD1-CB 4.18Å; I23-L127 HydrophobicContact CD1-CD2 3.85Å
24	I	95.2	Very high	90	Very high	49 Å²	49	56.2 Å²	56.2	25%	0.251	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.6	169.1	-53	171.4	0	0	0	106.1	D26 R27 L28 L116	I24-D26 PolarHBondContact O-N 3.34Å; I24-R27 HydrophobicContact CB-CB 4.41Å; I24-R27 HydrophobicContact CG2-CB 4.15Å; I24-R27 PolarHBondContact O-N 3.47Å; I24-R27 VanDerWaalsContact O-N 3.12Å; I24-L28 HydrophobicContact CB-CB 3.82Å; I24-L28 HydrophobicContact CD1-CB 3.95Å; I24-L28 HydrophobicContact CD1-CD2 3.95Å; I24-L28 HydrophobicContact CG1-CB 3.89Å; I24-L28 HydrophobicContact CG1-CD2 4.22Å; I24-L28 PolarHBondContact N-O 2.82Å; I24-L28 PolarHBondContact O-N 3.27Å; I24-L116 HydrophobicContact CD1-CD1 4.07Å; I24-L116 HydrophobicContact CD1-CD2 3.91Å; I24-L116 HydrophobicContact CG1-CD1 3.76Å; I24-L116 HydrophobicContact CG1-CD2 4.32Å
25	R	92	Very high	90.5	Very high	199 Å²	199	57.9 Å²	57.9	75%	0.751	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	131.6	-177.8	-157.9	-170.1	-72.8	127.7	-1.4	110	R27	R25-R27 PolarHBondContact O-N 3.07Å
26	D	91	Very high	90.9	Very high	101 Å²	101	54.1 Å²	54.1	54%	0.54	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	3	177.8	-45.4	-46.2	0	0	0	116.1	I24 Y29	I24-D26 PolarHBondContact O-N 3.34Å; D26-Y29 WeakPolarHBondContact CA-OH 3.36Å; D26-Y29 PolarHBondContact N-OH 2.8Å
27	R	95.5	Very high	91.3	Very high	51 Å²	51	52.5 Å²	52.5	19%	0.192	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.9	-37.9	-179.4	-67.7	-61.1	-70.2	112.6	-30.2	116.2	I24 R25 L85 N86 K88 I90	I24-R27 HydrophobicContact CB-CB 4.41Å; I24-R27 HydrophobicContact CG2-CB 4.15Å; I24-R27 PolarHBondContact O-N 3.47Å; I24-R27 VanDerWaalsContact O-N 3.12Å; R25-R27 PolarHBondContact O-N 3.07Å; R27-L85 PolarHBondContact NH2-O 2.84Å; R27-N86 VanDerWaalsContact CZ-O 3.3Å; R27-N86 PolarHBondContact NE-O 3.46Å; R27-N86 PolarHBondContact NH2-O 3.21Å; R27-K88 PolarHBondContact NH1-O 2.94Å; R27-I90 WeakPolarHBondContact O-CB 3.46Å; R27-I90 PolarHBondContact O-N 2.67Å
28	L	97	Very high	91.6	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	124	-173.8	-176.1	60.2	0	0	0	112.9	I23 I24 L76 I90 I108 F111	I23-L28 WeakPolarHBondContact CA-O 3.36Å; I23-L28 HydrophobicContact CB-CB 4.39Å; I23-L28 HydrophobicContact CB-CD2 4.21Å; I23-L28 HydrophobicContact CB-CG 4.06Å; I23-L28 WeakPolarHBondContact CB-O 3.36Å; I23-L28 HydrophobicContact CG2-CD2 4.01Å; I23-L28 HydrophobicContact CG2-CG 4.42Å; I23-L28 PolarHBondContact N-O 3.13Å; I24-L28 HydrophobicContact CB-CB 3.82Å; I24-L28 HydrophobicContact CD1-CB 3.95Å; I24-L28 HydrophobicContact CD1-CD2 3.95Å; I24-L28 HydrophobicContact CG1-CB 3.89Å; I24-L28 HydrophobicContact CG1-CD2 4.22Å; I24-L28 PolarHBondContact N-O 2.82Å; I24-L28 PolarHBondContact O-N 3.27Å; L28-L76 HydrophobicContact CD1-CD1 3.72Å; L28-L76 HydrophobicContact CD2-CD1 4.24Å; L28-L76 HydrophobicContact CD2-CD2 3.94Å; L28-I90 WeakPolarHBondContact CA-O 3.49Å; L28-I90 HydrophobicContact CD1-CB 4.45Å; L28-I90 HydrophobicContact CD1-CG2 4.02Å; L28-I108 HydrophobicContact CD2-CD1 4.35Å; L28-I108 HydrophobicContact CG-CD1 4.43Å; L28-F111 HydrophobicContact CD2-CD1 4.49Å; L28-F111 HydrophobicContact CD2-CE1 4.18Å
29	Y	96.7	Very high	92	Very high	22 Å²	22	59.8 Å²	59.8	9%	0.086	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	154	-177.7	-60.4	-97	0	0	0	111.3	L17 A20 S21 C22 D26 K89 I90 H92	L17-Y29 HydrophobicContact CD2-CD1 3.9Å; L17-Y29 HydrophobicContact CD2-CD2 3.87Å; L17-Y29 HydrophobicContact CD2-CE1 4.37Å; L17-Y29 HydrophobicContact CD2-CE2 4.36Å; L17-Y29 HydrophobicContact CD2-CG 3.62Å; A20-Y29 HydrophobicContact CB-CD1 4.26Å; S21-Y29 CarbonylContact O-C 3.59Å; S21-Y29 WeakPolarHBondContact O-CA 3.29Å; C22-Y29 HydrophobicContact CB-CD1 4.29Å; C22-Y29 HydrophobicContact CB-CE1 4.18Å; D26-Y29 WeakPolarHBondContact CA-OH 3.36Å; D26-Y29 PolarHBondContact N-OH 2.8Å; Y29-K89 HydrophobicContact CD2-CB 4.3Å; Y29-K89 HydrophobicContact CE2-CB 3.99Å; Y29-K89 HydrophobicContact CE2-CD 4.17Å; Y29-K89 HydrophobicContact CE2-CG 4.06Å; Y29-I90 PolarHBondContact N-O 2.73Å; Y29-H92 PolarHBondContact O-N 2.85Å
30	F	96.6	Very high	92.2	Very high	6 Å²	6	57.2 Å²	57.2	3%	0.026	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.9	174.7	178.3	-115	0	0	0	110.9	A20 S21 I23 H92 T94 A104 A105 I108 L127	A20-F30 CarbonylContact C-O 3.53Å; A20-F30 WeakPolarHBondContact CA-O 3.31Å; S21-F30 WeakPolarHBondContact CB-O 3.44Å; S21-F30 PolarHBondContact N-O 2.7Å; S21-F30 PolarHBondContact O-N 3.36Å; I23-F30 HydrophobicContact CD1-CB 4.29Å; I23-F30 HydrophobicContact CG1-CB 4.17Å; F30-H92 WeakPolarHBondContact CA-O 3.45Å; F30-H92 HydrophobicContact CD2-CB 4.22Å; F30-H92 AromaticContact CD2-ND1 3.49Å; F30-H92 WeakPolarHBondContact CD2-ND1 3.43Å; F30-H92 VanDerWaalsContact CD2-O 3.32Å; F30-H92 WeakPolarHBondContact CD2-O 3.48Å; F30-H92 AromaticContact CE2-CE1 3.99Å; F30-H92 AromaticContact CE2-ND1 3.71Å; F30-T94 HydrophobicContact CE2-CG2 4.07Å; F30-T94 HydrophobicContact CZ-CG2 3.98Å; F30-A104 HydrophobicContact CE2-CB 3.94Å; F30-A104 HydrophobicContact CZ-CB 4.19Å; F30-A105 HydrophobicContact CE1-CB 4.09Å; F30-A105 HydrophobicContact CZ-CB 4.02Å; F30-I108 HydrophobicContact CB-CD1 4.09Å; F30-I108 HydrophobicContact CD2-CG2 4.09Å; F30-I108 HydrophobicContact CE2-CG2 4.37Å; F30-I108 HydrophobicContact CG-CG2 4.16Å; F30-L127 HydrophobicContact CB-CD2 4.32Å; F30-L127 HydrophobicContact CD1-CD2 3.46Å; F30-L127 VanDerWaalsContact CD1-CD2 3.46Å; F30-L127 HydrophobicContact CE1-CD2 3.98Å; F30-L127 HydrophobicContact CG-CD2 4.04Å
31	L	94.7	Very high	92.1	Very high	9 Å²	9	60.7 Å²	60.7	5%	0.047	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	156.4	-179.8	69.4	170.5	0	0	0	113.3	L16 A20 C33 F45 A91 H92 F93 T94	L16-L31 HydrophobicContact CB-CD1 3.99Å; L16-L31 HydrophobicContact CD2-CD1 4.45Å; A20-L31 HydrophobicContact CB-CB 3.86Å; A20-L31 HydrophobicContact CB-CD1 4.43Å; L31-C33 VanDerWaalsContact CD1-SG 3.51Å; L31-F45 HydrophobicContact CD1-CE1 4.24Å; L31-F45 HydrophobicContact CD2-CD1 4.47Å; L31-F45 HydrophobicContact CD2-CE1 4.21Å; L31-A91 HydrophobicContact CD2-CB 4.02Å; L31-H92 PolarHBondContact N-O 3.3Å; L31-H92 VanDerWaalsContact N-O 3.08Å; L31-F93 HydrophobicContact CD2-CB 3.85Å; L31-F93 HydrophobicContact CG-CB 4.15Å; L31-F93 VanDerWaalsContact O-CA 3.29Å; L31-F93 WeakPolarHBondContact O-CA 3.43Å; L31-T94 PolarHBondContact O-N 1.91Å
32	S	92.9	Very high	92.1	Very high	12 Å²	12	62.1 Å²	62.1	8%	0.084	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	113	175.7	-60.9	0	0	0	0	110.5	T94 H96 R101	S32-T94 CarbonylContact C-O 3.57Å; S32-T94 WeakPolarHBondContact CA-O 3.49Å; S32-H96 PolarHBondContact O-CD2 2.86Å; S32-H96 PolarHBondContact O-NE2 2.83Å; S32-R101 WeakPolarHBondContact OG-CD 3.13Å; S32-R101 WeakPolarHBondContact OG-CG 3.35Å
33	C	89.9	Confident	92.1	Very high	8 Å²	8	60 Å²	60	5%	0.054	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	148.7	-174.9	-60.9	0	0	0	0	112.1	L31 T35 T94 S95 H96	L31-C33 VanDerWaalsContact CD1-SG 3.51Å; C33-T35 VanDerWaalsContact CB-O 3.27Å; C33-T35 WeakPolarHBondContact CB-O 3.38Å; C33-T94 PolarHBondContact N-O 2.93Å; C33-S95 WeakPolarHBondContact O-CA 3.38Å; C33-H96 WeakPolarHBondContact CA-NE2 3.36Å; C33-H96 PolarHBondContact N-NE2 3.31Å; C33-H96 VanDerWaalsContact N-NE2 3.18Å; C33-H96 PolarHBondContact O-CD2 2.87Å; C33-H96 VanDerWaalsContact O-CD2 3.3Å; C33-H96 PolarHBondContact O-N 2.78Å
34	K	86.1	Confident	92	Very high	180 Å²	180	61.8 Å²	61.8	78%	0.783	31%	0.31	S	S	*	.	S	Bend	trans	-79.7	-38.1	172.3	-176.2	180	177.5	-176.6	0	111.5
35	T	85.9	Confident	92.1	Very high	107 Å²	107	59.9 Å²	59.9	66%	0.656	30%	0.3	S	S	*	.	S	Bend	trans	-113.7	142	176.3	41.1	0	0	0	0	109.4	C33 P37	C33-T35 VanDerWaalsContact CB-O 3.27Å; C33-T35 WeakPolarHBondContact CB-O 3.38Å; T35-P37 WeakPolarHBondContact O-CD 3.49Å
36	P	89.2	Confident	92.3	Very high	101 Å²	101	51 Å²	51	66%	0.656	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-62.5	121.5	174.4	-24.4	35.5	0	0	0	111.6	F93	P36-F93 HydrophobicContact CB-CE2 3.93Å; P36-F93 HydrophobicContact CB-CZ 3.93Å
37	P	90.9	Very high	92.6	Very high	18 Å²	18	47.4 Å²	47.4	12%	0.117	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-72.2	153.4	176.8	29.8	-35	0	0	0	111.9	L16 T35 F45 F93	L16-P37 HydrophobicContact CD1-CB 4.01Å; T35-P37 WeakPolarHBondContact O-CD 3.49Å; P37-F45 HydrophobicContact CB-CD1 3.92Å; P37-F45 HydrophobicContact CB-CD2 3.92Å; P37-F45 HydrophobicContact CB-CE1 3.95Å; P37-F45 HydrophobicContact CB-CE2 3.96Å; P37-F45 HydrophobicContact CB-CG 3.91Å; P37-F45 HydrophobicContact CB-CZ 3.97Å; P37-F45 HydrophobicContact CG-CB 4.04Å; P37-F45 HydrophobicContact CG-CD1 3.33Å; P37-F45 HydrophobicContact CG-CD2 4.13Å; P37-F45 HydrophobicContact CG-CE1 3.72Å; P37-F45 HydrophobicContact CG-CE2 4.44Å; P37-F45 HydrophobicContact CG-CG 3.57Å; P37-F45 HydrophobicContact CG-CZ 4.26Å; P37-F93 HydrophobicContact CG-CB 4.33Å; P37-F93 HydrophobicContact CG-CD1 3.83Å; P37-F93 HydrophobicContact CG-CD2 4.41Å; P37-F93 HydrophobicContact CG-CE1 4.19Å; P37-F93 HydrophobicContact CG-CG 3.94Å
38	R	89.4	Confident	92.7	Very high	192 Å²	192	45.1 Å²	45.1	73%	0.725	24%	0.242	S	C	*	.	P	Polyproline II helix	trans	-96.1	130.3	177.5	-67.5	-178.3	175.7	-173.4	-1.2	110.4	N13	N13-R38 PolarHBondContact ND2-O 2.77Å
39	S	91	Very high	92.6	Very high	60 Å²	60	45.8 Å²	45.8	42%	0.42	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-64.3	146.2	169.8	-59.7	0	0	0	0	111.4	I43 F45	S39-I43 WeakPolarHBondContact CA-O 3.46Å; S39-I43 WeakPolarHBondContact CB-O 3.33Å; S39-F45 PolarHBondContact OG-N 2.7Å; S39-F45 PolarHBondContact OG-O 3.06Å
40	N	88.2	Confident	92.5	Very high	34 Å²	34	52.1 Å²	52.1	18%	0.182	28%	0.276	C	S	.	.			trans	-133.1	-157.8	-177.1	67.4	-13.4	0	0	0	111.4	S42 I43 K88	N40-S42 PolarHBondContact ND2-OG 3.2Å; N40-S42 PolarHBondContact OD1-N 2.89Å; N40-S42 PolarHBondContact OD1-OG 3.48Å; N40-I43 PolarHBondContact N-O 3.02Å; N40-I43 WeakPolarHBondContact OD1-CA 3.44Å; N40-I43 VanDerWaalsContact OD1-CB 3.31Å; N40-I43 WeakPolarHBondContact OD1-CB 3.46Å; N40-I43 PolarHBondContact OD1-N 3.44Å; N40-I43 PolarHBondContact OD1-O 3.27Å; N40-K88 PolarHBondContact O-NZ 3.22Å
41	S	88.9	Confident	92.5	Very high	75 Å²	75	57.2 Å²	57.2	52%	0.524	30%	0.299	S	S	.	.	S	Bend	trans	-51.6	-60.2	169.6	42.1	0	0	0	0	112	E10 K88	E10-S41 PolarHBondContact OE1-OG 2.93Å; E10-S41 VanDerWaalsContact OE1-OG 3.11Å; S41-K88 VanDerWaalsContact O-CD 3.26Å; S41-K88 WeakPolarHBondContact O-CD 3.33Å; S41-K88 WeakPolarHBondContact O-CE 3.09Å; S41-K88 WeakPolarHBondContact O-CG 3.11Å; S41-K88 PolarHBondContact O-NZ 3.07Å
42	S	91.6	Very high	92.6	Very high	35 Å²	35	57.4 Å²	57.4	25%	0.245	30%	0.3	C	S	.	.	S	Bend	trans	-89.3	-20.5	-168.5	50.8	0	0	0	0	115.4	N40 K88 K89	N40-S42 PolarHBondContact ND2-OG 3.2Å; N40-S42 PolarHBondContact OD1-N 2.89Å; N40-S42 PolarHBondContact OD1-OG 3.48Å; S42-K88 CarbonylContact O-C 3.38Å; S42-K88 VanDerWaalsContact O-CA 3.29Å; S42-K88 WeakPolarHBondContact O-CA 3.17Å; S42-K89 PolarHBondContact O-N 3.25Å
43	I	94.2	Very high	92.7	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	130.1	-167.6	-50.3	158.4	0	0	0	111.4	N13 L17 S39 N40 F45 K89 A91	N13-I43 HydrophobicContact CB-CD1 3.87Å; L17-I43 HydrophobicContact CD1-CD1 3.44Å; L17-I43 VanDerWaalsContact CD1-CD1 3.44Å; L17-I43 HydrophobicContact CD1-CG1 3.78Å; L17-I43 HydrophobicContact CG-CD1 4.14Å; S39-I43 WeakPolarHBondContact CA-O 3.46Å; S39-I43 WeakPolarHBondContact CB-O 3.33Å; N40-I43 PolarHBondContact N-O 3.02Å; N40-I43 WeakPolarHBondContact OD1-CA 3.44Å; N40-I43 VanDerWaalsContact OD1-CB 3.31Å; N40-I43 WeakPolarHBondContact OD1-CB 3.46Å; N40-I43 PolarHBondContact OD1-N 3.44Å; N40-I43 PolarHBondContact OD1-O 3.27Å; I43-F45 HydrophobicContact CB-CD2 4.47Å; I43-F45 HydrophobicContact CB-CE2 4.03Å; I43-F45 HydrophobicContact CD1-CE2 4.43Å; I43-F45 HydrophobicContact CG2-CD1 4.49Å; I43-F45 HydrophobicContact CG2-CD2 3.83Å; I43-F45 HydrophobicContact CG2-CE1 4.19Å; I43-F45 HydrophobicContact CG2-CE2 3.48Å; I43-F45 VanDerWaalsContact CG2-CE2 3.48Å; I43-F45 HydrophobicContact CG2-CG 4.32Å; I43-F45 HydrophobicContact CG2-CZ 3.69Å; I43-K89 CarbonylContact C-O 3.5Å; I43-K89 WeakPolarHBondContact CA-O 3.39Å; I43-K89 HydrophobicContact CG1-CB 4.32Å; I43-K89 HydrophobicContact CG1-CD 4.33Å; I43-A91 HydrophobicContact CG2-CB 4.12Å
44	H	95.7	Very high	93	Very high	38 Å²	38	61.2 Å²	61.2	18%	0.176	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	105.3	169	-177.7	77.9	0	0	0	110.5	K79 L85 K89 I90 A91	H44-K79 PolarHBondContact NE2-NZ 3.21Å; H44-L85 HydrophobicContact CB-CD2 3.84Å; H44-K89 PolarHBondContact N-O 3.46Å; H44-I90 HydrophobicContact CB-CG1 4.4Å; H44-A91 PolarHBondContact O-N 2.9Å
45	F	95.7	Very high	93.4	Very high	9 Å²	9	56.9 Å²	56.9	4%	0.039	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	141.5	171.4	-70.2	-79.3	0	0	0	111.5	N13 L31 P37 S39 I43 A91 F93	N13-F45 HydrophobicContact CB-CE2 4.35Å; N13-F45 WeakPolarHBondContact OD1-CE2 3.46Å; L31-F45 HydrophobicContact CD1-CE1 4.24Å; L31-F45 HydrophobicContact CD2-CD1 4.47Å; L31-F45 HydrophobicContact CD2-CE1 4.21Å; P37-F45 HydrophobicContact CB-CD1 3.92Å; P37-F45 HydrophobicContact CB-CD2 3.92Å; P37-F45 HydrophobicContact CB-CE1 3.95Å; P37-F45 HydrophobicContact CB-CE2 3.96Å; P37-F45 HydrophobicContact CB-CG 3.91Å; P37-F45 HydrophobicContact CB-CZ 3.97Å; P37-F45 HydrophobicContact CG-CB 4.04Å; P37-F45 HydrophobicContact CG-CD1 3.33Å; P37-F45 HydrophobicContact CG-CD2 4.13Å; P37-F45 HydrophobicContact CG-CE1 3.72Å; P37-F45 HydrophobicContact CG-CE2 4.44Å; P37-F45 HydrophobicContact CG-CG 3.57Å; P37-F45 HydrophobicContact CG-CZ 4.26Å; S39-F45 PolarHBondContact OG-N 2.7Å; S39-F45 PolarHBondContact OG-O 3.06Å; I43-F45 HydrophobicContact CB-CD2 4.47Å; I43-F45 HydrophobicContact CB-CE2 4.03Å; I43-F45 HydrophobicContact CD1-CE2 4.43Å; I43-F45 HydrophobicContact CG2-CD1 4.49Å; I43-F45 HydrophobicContact CG2-CD2 3.83Å; I43-F45 HydrophobicContact CG2-CE1 4.19Å; I43-F45 HydrophobicContact CG2-CE2 3.48Å; I43-F45 VanDerWaalsContact CG2-CE2 3.48Å; I43-F45 HydrophobicContact CG2-CG 4.32Å; I43-F45 HydrophobicContact CG2-CZ 3.69Å; F45-A91 CarbonylContact C-O 3.55Å; F45-A91 WeakPolarHBondContact CA-O 3.33Å; F45-A91 HydrophobicContact CD1-CB 3.41Å; F45-A91 VanDerWaalsContact CD1-CB 3.41Å; F45-A91 HydrophobicContact CE1-CB 3.54Å; F45-A91 HydrophobicContact CG-CB 4.24Å; F45-A91 HydrophobicContact CZ-CB 4.45Å; F45-F93 HydrophobicContact CB-CD1 3.92Å; F45-F93 HydrophobicContact CB-CE1 4.08Å; F45-F93 HydrophobicContact CD1-CD1 4.32Å
46	F	96.7	Very high	93.8	Very high	12 Å²	12	53.7 Å²	53.7	5%	0.053	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	157.7	167.5	79.2	-77.6	0	0	0	111.5	Y72 K75 L76 K79 I90 A91 H92 F93	F46-Y72 HydrophobicContact CE2-CE2 4.17Å; F46-Y72 HydrophobicContact CZ-CE2 4.35Å; F46-K75 HydrophobicContact CE2-CD 4.49Å; F46-L76 HydrophobicContact CE1-CD1 4.43Å; F46-L76 HydrophobicContact CZ-CD1 4.24Å; F46-K79 HydrophobicContact CD1-CD 3.95Å; F46-K79 HydrophobicContact CD2-CD 4.46Å; F46-K79 HydrophobicContact CE1-CD 4.2Å; F46-K79 HydrophobicContact CG-CD 4.08Å; F46-I90 HydrophobicContact CD1-CG2 3.99Å; F46-I90 HydrophobicContact CE1-CG2 3.65Å; F46-A91 PolarHBondContact N-O 2.93Å; F46-H92 HydrophobicContact CE1-CB 3.75Å; F46-H92 HydrophobicContact CE2-CB 4.47Å; F46-H92 AromaticContact CE2-CD2 3.77Å; F46-H92 HydrophobicContact CZ-CB 3.73Å; F46-H92 AromaticContact CZ-CD2 3.89Å; F46-H92 AromaticContact CZ-CG 3.91Å; F46-H92 CarbonylContact O-C 3.34Å; F46-H92 WeakPolarHBondContact O-CA 3.39Å; F46-F93 VanDerWaalsContact O-CD1 3.25Å; F46-F93 WeakPolarHBondContact O-CD1 3.42Å; F46-F93 PolarHBondContact O-N 3.42Å
47	S	97.2	Very high	94	Very high	26 Å²	26	49.7 Å²	49.7	18%	0.182	26%	0.255	C	S	.	.			trans	-128.6	176.4	173.5	-167	0	0	0	0	111.2	D49 K75 F93	S47-D49 PolarHBondContact OG-N 3.25Å; S47-D49 PolarHBondContact OG-OD1 3.1Å; S47-K75 PolarHBondContact O-NZ 2.88Å; S47-F93 WeakPolarHBondContact CA-O 3.46Å; S47-F93 WeakPolarHBondContact CB-O 3.22Å; S47-F93 PolarHBondContact OG-O 3.09Å
48	I	97.2	Very high	94.2	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	27%	0.271	C	S	.	.			trans	-129.9	1.2	168.7	55.8	72.7	0	0	0	112.8	E50 E51 L52 Y72 K75 A104 L107	I48-E50 PolarHBondContact O-N 3Å; I48-E50 VanDerWaalsContact O-N 3.07Å; I48-E51 PolarHBondContact O-N 3.47Å; I48-L52 HydrophobicContact CB-CB 4.18Å; I48-L52 HydrophobicContact CB-CD1 4.04Å; I48-L52 HydrophobicContact CB-CG 4.07Å; I48-L52 HydrophobicContact CG2-CD1 3.84Å; I48-L52 HydrophobicContact CG2-CG 4.19Å; I48-L52 PolarHBondContact O-N 3.5Å; I48-Y72 HydrophobicContact CG2-CD2 4.05Å; I48-Y72 HydrophobicContact CG2-CE2 4.4Å; I48-K75 HydrophobicContact CG2-CD 4.46Å; I48-A104 HydrophobicContact CD1-CB 4.22Å; I48-L107 HydrophobicContact CD1-CD1 3.88Å; I48-L107 HydrophobicContact CG1-CD1 3.82Å
49	D	96.2	Very high	94.5	Very high	14 Å²	14	47 Å²	47	8%	0.075	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-28.1	-170.2	-82.5	31.8	0	0	0	114.7	S47 T94 S95 K100	S47-D49 PolarHBondContact OG-N 3.25Å; S47-D49 PolarHBondContact OG-OD1 3.1Å; D49-T94 WeakPolarHBondContact OD1-CA 3.32Å; D49-T94 WeakPolarHBondContact OD1-CB 3.43Å; D49-T94 PolarHBondContact OD1-OG1 3.12Å; D49-T94 PolarHBondContact OD2-OG1 3.47Å; D49-S95 WeakPolarHBondContact OD2-CB 3.49Å; D49-S95 PolarHBondContact OD2-N 2.65Å; D49-S95 PolarHBondContact OD2-OG 2.62Å; D49-K100 HydrophobicContact CB-CD 3.97Å; D49-K100 WeakPolarHBondContact O-CE 3.5Å; D49-K100 PolarHBondContact O-NZ 2.87Å; D49-K100 VanDerWaalsContact O-NZ 3.12Å; D49-K100 WeakPolarHBondContact OD2-CD 3.46Å
50	E	94.5	Very high	94.8	Very high	155 Å²	155	44.3 Å²	44.3	72%	0.724	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.5	12.4	176.1	-43.7	-54.5	157.7	0	0	112.9	I48 K100	I48-E50 PolarHBondContact O-N 3Å; I48-E50 VanDerWaalsContact O-N 3.07Å; E50-K100 IonicContact OE1-NZ 3.24Å; E50-K100 PolarHBondContact OE1-NZ 3.06Å; E50-K100 IonicContact OE2-NZ 2.67Å; E50-K100 PolarHBondContact OE2-NZ 3.21Å; E50-K100 VanDerWaalsContact OE2-NZ 3.08Å
51	E	95.9	Very high	95.2	Very high	112 Å²	112	43.7 Å²	43.7	52%	0.523	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-43	-175.8	-172.4	-171.2	100	0	0	112.3	I48 K75	I48-E51 PolarHBondContact O-N 3.47Å; E51-K75 WeakPolarHBondContact OE1-CD 3.39Å; E51-K75 WeakPolarHBondContact OE1-CE 3.44Å; E51-K75 IonicContact OE1-NZ 3.74Å; E51-K75 PolarHBondContact OE1-NZ 2.86Å; E51-K75 IonicContact OE2-NZ 3.5Å; E51-K75 PolarHBondContact OE2-NZ 3.07Å
52	L	96.3	Very high	95.7	Very high	13 Å²	13	40.2 Å²	40.2	7%	0.068	21%	0.205	C	C	.	.	S	Bend	trans	-112	68.1	178.2	-57.5	-179.5	0	0	0	109	I48 L64 K71 Y72 L107	I48-L52 HydrophobicContact CB-CB 4.18Å; I48-L52 HydrophobicContact CB-CD1 4.04Å; I48-L52 HydrophobicContact CB-CG 4.07Å; I48-L52 HydrophobicContact CG2-CD1 3.84Å; I48-L52 HydrophobicContact CG2-CG 4.19Å; I48-L52 PolarHBondContact O-N 3.5Å; L52-L64 HydrophobicContact CB-CD1 4.29Å; L52-L64 VanDerWaalsContact O-CD2 3.22Å; L52-L64 WeakPolarHBondContact O-CD2 3.25Å; L52-K71 HydrophobicContact CD2-CB 4.12Å; L52-K71 HydrophobicContact CD2-CD 4.29Å; L52-Y72 HydrophobicContact CD1-CD2 4.44Å; L52-L107 HydrophobicContact CD1-CD1 3.94Å
53	C	95.7	Very high	96	Very high	67 Å²	67	38.6 Å²	38.6	45%	0.453	19%	0.193	S	C	.	.			trans	-82.5	137.2	-177.6	-55.3	0	0	0	0	111.8	Q68	C53-Q68 PolarHBondContact O-NE2 2.98Å
54	Y	96.7	Very high	96.2	Very high	33 Å²	33	38.6 Å²	38.6	13%	0.129	19%	0.193	C	C	.	.			trans	-80.3	126.9	176.1	-179.8	-94.4	0	0	0	111.6	N56 D60 F61 P63 L64 P322	Y54-N56 HydrophobicContact CD1-CB 4.28Å; Y54-N56 HydrophobicContact CE1-CB 4.28Å; Y54-N56 PolarHBondContact O-N 3.4Å; Y54-D60 HydrophobicContact CE1-CB 4.15Å; Y54-D60 WeakPolarHBondContact CE1-O 3.2Å; Y54-D60 WeakPolarHBondContact CE1-OD2 3.11Å; Y54-D60 PolarHBondContact OH-OD2 2.9Å; Y54-F61 WeakPolarHBondContact CB-O 3.34Å; Y54-F61 VanDerWaalsContact CD1-CA 3.49Å; Y54-F61 VanDerWaalsContact CG-C 3.47Å; Y54-P63 WeakPolarHBondContact CD2-O 3.44Å; Y54-P63 VanDerWaalsContact CE2-O 3.28Å; Y54-P63 WeakPolarHBondContact CE2-O 3.45Å; Y54-L64 HydrophobicContact CD2-CD2 4.5Å; Y54-P322 HydrophobicContact CE2-CB 3.88Å; Y54-P322 HydrophobicContact CE2-CG 4.34Å
55	E	93.3	Very high	96.3	Very high	90 Å²	90	37 Å²	37	42%	0.421	19%	0.187	S	C	.	.			trans	-79.8	92.2	175.9	-70	-162	124.3	0	0	111.7	F57 T1083 R1087	E55-F57 PolarHBondContact O-N 2.88Å; E55-T1083 PolarHBondContact OE1-OG1 3.29Å; E55-T1083 VanDerWaalsContact OE1-OG1 3.08Å; E55-R1087 IonicContact OE2-CZ 3.61Å; E55-R1087 IonicContact OE2-NH1 2.7Å; E55-R1087 PolarHBondContact OE2-NH1 3.13Å
56	N	95.3	Very high	96.5	Very high	39 Å²	39	37.1 Å²	37.1	21%	0.209	19%	0.188	C	C	.	.			trans	-65.1	131.9	-175.6	75.5	-89.9	0	0	0	114.2	Y54 Y58 D60 R1084	Y54-N56 HydrophobicContact CD1-CB 4.28Å; Y54-N56 HydrophobicContact CE1-CB 4.28Å; Y54-N56 PolarHBondContact O-N 3.4Å; N56-Y58 PolarHBondContact ND2-O 2.89Å; N56-D60 WeakPolarHBondContact CB-O 3.49Å; N56-R1084 PolarHBondContact ND2-NE 3.08Å; N56-R1084 PolarHBondContact ND2-NH2 2.71Å; N56-R1084 PolarHBondContact OD1-NE 2.72Å; N56-R1084 VanDerWaalsContact OD1-NE 3.09Å; N56-R1084 PolarHBondContact OD1-NH2 2.99Å
57	F	92.4	Very high	96.5	Very high	18 Å²	18	36.6 Å²	36.6	8%	0.079	19%	0.185	C	C	.	.	S	Bend	trans	-73.3	-46.4	169	-75.9	-96	0	0	0	111.7	E55 D60 A141 L291 P322 R1087 L1091	E55-F57 PolarHBondContact O-N 2.88Å; F57-D60 PolarHBondContact N-OD1 3.47Å; F57-D60 PolarHBondContact N-OD2 2.91Å; F57-A141 HydrophobicContact CB-CB 3.81Å; F57-A141 HydrophobicContact CG-CB 4.31Å; F57-L291 HydrophobicContact CD1-CD1 4.05Å; F57-L291 HydrophobicContact CE1-CD1 3.36Å; F57-L291 HydrophobicContact CE2-CD1 4.44Å; F57-L291 HydrophobicContact CZ-CD1 3.6Å; F57-L291 HydrophobicContact CZ-CD2 4.44Å; F57-P322 HydrophobicContact CE2-CB 4.2Å; F57-P322 VanDerWaalsContact CE2-O 3.28Å; F57-P322 WeakPolarHBondContact CE2-O 3.43Å; F57-R1087 HydrophobicContact CD1-CB 3.76Å; F57-R1087 HydrophobicContact CD1-CG 4.45Å; F57-R1087 HydrophobicContact CE1-CB 3.55Å; F57-R1087 HydrophobicContact CE1-CG 3.74Å; F57-R1087 HydrophobicContact CZ-CB 4.41Å; F57-R1087 HydrophobicContact CZ-CG 4.24Å; F57-L1091 HydrophobicContact CB-CD1 3.83Å; F57-L1091 HydrophobicContact CD1-CD1 3.63Å; F57-L1091 HydrophobicContact CD1-CG 4.44Å; F57-L1091 HydrophobicContact CG-CD1 4.09Å
58	Y	95.1	Very high	96.6	Very high	112 Å²	112	36.8 Å²	36.8	44%	0.439	18%	0.183	S	C	.	.	S	Bend	trans	-140.5	-91.5	174.2	-175.3	-110.2	0	0	0	110.7	N56 D60 S142 F143	N56-Y58 PolarHBondContact ND2-O 2.89Å; Y58-D60 PolarHBondContact N-OD1 2.86Å; Y58-S142 VanDerWaalsContact CD1-O 3.24Å; Y58-S142 WeakPolarHBondContact CD1-O 3.28Å; Y58-F143 HydrophobicContact CD1-CD1 4.34Å; Y58-F143 AromaticContact CD2-CD1 3.54Å; Y58-F143 HydrophobicContact CD2-CD1 3.54Å; Y58-F143 AromaticContact CD2-CE1 3.64Å; Y58-F143 HydrophobicContact CD2-CE1 3.64Å; Y58-F143 HydrophobicContact CE1-CD1 4.4Å; Y58-F143 AromaticContact CE2-CD1 3.6Å; Y58-F143 HydrophobicContact CE2-CD1 3.6Å; Y58-F143 AromaticContact CE2-CE1 4Å; Y58-F143 HydrophobicContact CE2-CE1 4Å; Y58-F143 AromaticContact CG-CD1 3.94Å; Y58-F143 HydrophobicContact CG-CD1 3.94Å; Y58-F143 HydrophobicContact CG-CE1 4.22Å
59	A	95.9	Very high	96.7	Very high	41 Å²	41	36.6 Å²	36.6	34%	0.339	18%	0.182	S	C	.	.	S	Bend	trans	-117.1	-2.6	-178.2	0	0	0	0	0	113.4	R139	A59-R139 WeakPolarHBondContact O-CD 3.44Å
60	D	97.7	Very high	96.8	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.016	19%	0.189	C	C	.	.			trans	-54	141.1	159.8	53.7	-58.3	0	0	0	110.8	Y54 N56 F57 Y58 A141	Y54-D60 HydrophobicContact CE1-CB 4.15Å; Y54-D60 WeakPolarHBondContact CE1-O 3.2Å; Y54-D60 WeakPolarHBondContact CE1-OD2 3.11Å; Y54-D60 PolarHBondContact OH-OD2 2.9Å; N56-D60 WeakPolarHBondContact CB-O 3.49Å; F57-D60 PolarHBondContact N-OD1 3.47Å; F57-D60 PolarHBondContact N-OD2 2.91Å; Y58-D60 PolarHBondContact N-OD1 2.86Å; D60-A141 HydrophobicContact CB-CB 4.45Å
61	F	98	Very high	96.9	Very high	22 Å²	22	34.9 Å²	34.9	10%	0.096	17%	0.171	C	C	.	.			trans	-134.3	-1.8	-175.6	66	-93.5	0	0	0	113.4	Y54 R99 A102 N103 L136 P137 F138 R139	Y54-F61 WeakPolarHBondContact CB-O 3.34Å; Y54-F61 VanDerWaalsContact CD1-CA 3.49Å; Y54-F61 VanDerWaalsContact CG-C 3.47Å; F61-R99 HydrophobicContact CB-CB 4.15Å; F61-R99 HydrophobicContact CB-CG 4.12Å; F61-R99 HydrophobicContact CD1-CG 4.12Å; F61-R99 HydrophobicContact CD2-CB 3.57Å; F61-R99 HydrophobicContact CD2-CG 3.87Å; F61-R99 HydrophobicContact CE2-CB 4.14Å; F61-R99 HydrophobicContact CE2-CG 4.33Å; F61-R99 HydrophobicContact CG-CB 3.89Å; F61-R99 HydrophobicContact CG-CG 3.76Å; F61-A102 HydrophobicContact CE2-CB 4.13Å; F61-N103 PolarHBondContact O-ND2 3.39Å; F61-L136 HydrophobicContact CD1-CD2 4.36Å; F61-L136 HydrophobicContact CE1-CD2 3.67Å; F61-L136 HydrophobicContact CE1-CG 3.98Å; F61-L136 HydrophobicContact CE2-CD2 4.3Å; F61-L136 HydrophobicContact CZ-CB 4.09Å; F61-L136 HydrophobicContact CZ-CD2 3.64Å; F61-L136 HydrophobicContact CZ-CG 3.68Å; F61-P137 WeakPolarHBondContact CE1-O 3.08Å; F61-P137 WeakPolarHBondContact CZ-O 3.45Å; F61-F138 HydrophobicContact CD2-CD1 4.1Å; F61-F138 HydrophobicContact CD2-CE1 4.29Å; F61-F138 AromaticContact CE2-CD1 3.44Å; F61-F138 HydrophobicContact CE2-CD1 3.44Å; F61-F138 VanDerWaalsContact CE2-CD1 3.44Å; F61-F138 AromaticContact CE2-CE1 3.65Å; F61-F138 HydrophobicContact CE2-CE1 3.65Å; F61-F138 AromaticContact CZ-CD1 3.76Å; F61-F138 HydrophobicContact CZ-CD1 3.76Å; F61-F138 HydrophobicContact CZ-CE1 4.35Å; F61-F138 HydrophobicContact CZ-CG 4.49Å; F61-R139 HydrophobicContact CD1-CG 4.43Å; F61-R139 HydrophobicContact CE1-CG 4.42Å
62	G	98	Very high	97.1	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.01	15%	0.146	C	C	.	.			trans	169.8	-177.9	-173.8	0	0	0	0	0	111.9	N103	G62-N103 WeakPolarHBondContact CA-OD1 3.35Å
63	P	98.6	Very high	97.2	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	14%	0.142	C	C	.	.	S	Bend	cis	-65.5	162.9	-2.7	29.2	-36.8	0	0	0	112.5	Y54 F106 F138 I319	Y54-P63 WeakPolarHBondContact CD2-O 3.44Å; Y54-P63 VanDerWaalsContact CE2-O 3.28Å; Y54-P63 WeakPolarHBondContact CE2-O 3.45Å; P63-F106 HydrophobicContact CB-CD1 3.89Å; P63-F106 HydrophobicContact CB-CD2 4.2Å; P63-F106 HydrophobicContact CB-CE1 3.86Å; P63-F106 HydrophobicContact CB-CE2 4.17Å; P63-F106 HydrophobicContact CB-CG 4.06Å; P63-F106 HydrophobicContact CB-CZ 4.01Å; P63-F138 HydrophobicContact CB-CE1 4.36Å; P63-F138 HydrophobicContact CB-CE2 4.26Å; P63-F138 HydrophobicContact CB-CZ 4.16Å; P63-I319 HydrophobicContact CB-CG1 4.31Å; P63-I319 HydrophobicContact CG-CG1 3.8Å
64	L	98.5	Very high	97.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-64.7	153.4	174.5	-70.1	169.8	0	0	0	111.6	L52 Y54 Q68 N103 F106 L107	L52-L64 HydrophobicContact CB-CD1 4.29Å; L52-L64 VanDerWaalsContact O-CD2 3.22Å; L52-L64 WeakPolarHBondContact O-CD2 3.25Å; Y54-L64 HydrophobicContact CD2-CD2 4.5Å; L64-Q68 HydrophobicContact CB-CB 4.12Å; L64-N103 HydrophobicContact CD1-CB 3.85Å; L64-N103 HydrophobicContact CG-CB 4.02Å; L64-F106 HydrophobicContact CB-CD1 4.43Å; L64-F106 HydrophobicContact CB-CE1 4.37Å; L64-F106 WeakPolarHBondContact O-CE1 3.32Å; L64-L107 HydrophobicContact CB-CD2 4.32Å; L64-L107 HydrophobicContact CD1-CD1 3.52Å; L64-L107 HydrophobicContact CD1-CD2 4.1Å; L64-L107 HydrophobicContact CD1-CG 3.82Å
65	S	98.2	Very high	97.3	Very high	5 Å²	5	27.6 Å²	27.6	4%	0.035	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-72.5	165.2	-172.6	79.8	0	0	0	0	113.3	G67 Q68 L69 I319	S65-G67 VanDerWaalsContact C-N 3.32Å; S65-G67 PolarHBondContact O-N 3.31Å; S65-Q68 CarbonylContact O-C 3.58Å; S65-Q68 WeakPolarHBondContact O-CA 3.38Å; S65-Q68 WeakPolarHBondContact O-CB 3.27Å; S65-Q68 PolarHBondContact O-N 3.35Å; S65-Q68 WeakPolarHBondContact OG-CG 3.42Å; S65-Q68 PolarHBondContact OG-N 3.12Å; S65-L69 PolarHBondContact O-N 3.42Å; S65-I319 CarbonylContact C-O 3.47Å; S65-I319 WeakPolarHBondContact CA-O 3.14Å
66	L	98.3	Very high	97.5	Very high	12 Å²	12	23.3 Å²	23.3	6%	0.063	11%	0.113	C	C	.	.	H	α-helix	trans	-58.7	-40.6	179.9	-175.8	57.2	0	0	0	112.6	Q68 L69 Y70 L168 F170 F173 Y178 W316 I319	L66-Q68 VanDerWaalsContact C-N 3.34Å; L66-Q68 PolarHBondContact O-N 2.62Å; L66-L69 PolarHBondContact O-N 3.01Å; L66-Y70 PolarHBondContact O-N 2.9Å; L66-L168 HydrophobicContact CD1-CD1 3.65Å; L66-F170 HydrophobicContact CD1-CE1 3.75Å; L66-F170 HydrophobicContact CD1-CZ 4.06Å; L66-F173 HydrophobicContact CD2-CD2 4.29Å; L66-F173 HydrophobicContact CD2-CE2 3.59Å; L66-F173 HydrophobicContact CD2-CZ 4.28Å; L66-F173 HydrophobicContact CG-CD2 4.47Å; L66-F173 HydrophobicContact CG-CE2 3.69Å; L66-F173 HydrophobicContact CG-CZ 3.92Å; L66-Y178 HydrophobicContact CB-CE2 4.02Å; L66-Y178 HydrophobicContact CD2-CE2 4.47Å; L66-W316 HydrophobicContact CD2-CH2 4.43Å; L66-I319 HydrophobicContact CB-CG2 4.16Å; L66-I319 HydrophobicContact CD1-CG2 4.33Å; L66-I319 PolarHBondContact N-O 2.9Å
67	G	98.1	Very high	97.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.7	-37.1	173.1	0	0	0	0	0	113	S65 Y70 K71	S65-G67 VanDerWaalsContact C-N 3.32Å; S65-G67 PolarHBondContact O-N 3.31Å; G67-Y70 PolarHBondContact O-N 3.16Å; G67-K71 WeakPolarHBondContact O-CB 3.49Å; G67-K71 WeakPolarHBondContact O-CG 3.29Å; G67-K71 PolarHBondContact O-N 2.64Å
68	Q	98.4	Very high	97.8	Very high	30 Å²	30	29.7 Å²	29.7	14%	0.14	14%	0.141	C	C	.	.	H	α-helix	trans	-70.2	-37.2	175.5	-65.5	177	-42.9	0	0	112.2	C53 L64 S65 L66 K71 Y72	C53-Q68 PolarHBondContact O-NE2 2.98Å; L64-Q68 HydrophobicContact CB-CB 4.12Å; S65-Q68 CarbonylContact O-C 3.58Å; S65-Q68 WeakPolarHBondContact O-CA 3.38Å; S65-Q68 WeakPolarHBondContact O-CB 3.27Å; S65-Q68 PolarHBondContact O-N 3.35Å; S65-Q68 WeakPolarHBondContact OG-CG 3.42Å; S65-Q68 PolarHBondContact OG-N 3.12Å; L66-Q68 VanDerWaalsContact C-N 3.34Å; L66-Q68 PolarHBondContact O-N 2.62Å; Q68-K71 PolarHBondContact O-N 3.01Å; Q68-Y72 PolarHBondContact O-N 3.49Å
69	L	98.7	Very high	98	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.8	-45.9	171.8	177.8	59.7	0	0	0	111.4	S65 L66 K71 Y72 C73 F106 L107 I114 F170	S65-L69 PolarHBondContact O-N 3.42Å; L66-L69 PolarHBondContact O-N 3.01Å; L69-K71 VanDerWaalsContact C-N 3.35Å; L69-K71 PolarHBondContact O-N 2.67Å; L69-Y72 WeakPolarHBondContact O-CB 3.29Å; L69-Y72 PolarHBondContact O-N 2.84Å; L69-C73 WeakPolarHBondContact O-CB 3.38Å; L69-C73 PolarHBondContact O-N 2.86Å; L69-C73 PolarHBondContact O-SG 3.09Å; L69-C73 VanDerWaalsContact O-SG 3.39Å; L69-F106 HydrophobicContact CD2-CZ 4.43Å; L69-L107 HydrophobicContact CB-CD2 4.21Å; L69-L107 HydrophobicContact CD1-CD2 3.93Å; L69-I114 HydrophobicContact CD2-CD1 4.14Å; L69-F170 HydrophobicContact CB-CZ 4.39Å; L69-F170 HydrophobicContact CD2-CZ 4.15Å; L69-F170 HydrophobicContact CG-CE2 4.15Å; L69-F170 HydrophobicContact CG-CZ 3.9Å
70	Y	98.5	Very high	98	Very high	55 Å²	55	26 Å²	26	22%	0.216	12%	0.121	C	C	.	.	H	α-helix	trans	-59.2	-44.1	174.5	179.1	-89.1	0	0	0	112.1	L66 G67 C73 S74 F170 F173 L175	L66-Y70 PolarHBondContact O-N 2.9Å; G67-Y70 PolarHBondContact O-N 3.16Å; Y70-C73 PolarHBondContact O-N 3.5Å; Y70-S74 VanDerWaalsContact O-CB 3.24Å; Y70-S74 WeakPolarHBondContact O-CB 3.33Å; Y70-S74 PolarHBondContact O-N 3.36Å; Y70-S74 PolarHBondContact O-OG 2.92Å; Y70-F170 HydrophobicContact CD2-CB 4.16Å; Y70-F170 AromaticContact CD2-CD1 3.69Å; Y70-F170 HydrophobicContact CD2-CD1 3.69Å; Y70-F170 HydrophobicContact CD2-CD2 4.23Å; Y70-F170 AromaticContact CD2-CE1 3.99Å; Y70-F170 HydrophobicContact CD2-CE1 3.99Å; Y70-F170 AromaticContact CD2-CG 3.79Å; Y70-F170 HydrophobicContact CD2-CG 3.79Å; Y70-F170 HydrophobicContact CD2-CZ 4.41Å; Y70-F170 HydrophobicContact CE2-CB 4.3Å; Y70-F170 HydrophobicContact CE2-CG 4.43Å; Y70-F170 HydrophobicContact CG-CE1 4.47Å; Y70-F173 HydrophobicContact CD1-CD1 4.22Å; Y70-F173 HydrophobicContact CD1-CE1 4.43Å; Y70-F173 HydrophobicContact CD2-CB 4.2Å; Y70-F173 AromaticContact CD2-CD1 3.49Å; Y70-F173 HydrophobicContact CD2-CD1 3.49Å; Y70-F173 VanDerWaalsContact CD2-CD1 3.49Å; Y70-F173 HydrophobicContact CD2-CE1 4.27Å; Y70-F173 HydrophobicContact CD2-CG 4.2Å; Y70-F173 HydrophobicContact CE2-CB 4.28Å; Y70-F173 HydrophobicContact CE2-CD1 4.02Å; Y70-F173 AromaticContact CG-CD1 3.59Å; Y70-F173 HydrophobicContact CG-CD1 3.59Å; Y70-F173 AromaticContact CG-CE1 3.92Å; Y70-F173 HydrophobicContact CG-CE1 3.92Å; Y70-L175 HydrophobicContact CD1-CB 3.99Å; Y70-L175 HydrophobicContact CD1-CD1 4.03Å; Y70-L175 HydrophobicContact CD1-CD2 3.89Å; Y70-L175 HydrophobicContact CD1-CG 4.19Å; Y70-L175 HydrophobicContact CE1-CB 3.99Å; Y70-L175 HydrophobicContact CE1-CD2 4Å; Y70-L175 HydrophobicContact CE1-CG 4.48Å
71	K	98.4	Very high	97.9	Very high	78 Å²	78	34.5 Å²	34.5	34%	0.339	16%	0.158	S	C	.	.	H	α-helix	trans	-59.4	-44.8	174.1	-81	174.7	171.1	169.8	0	112	L52 G67 Q68 L69 S74 K75 L175 E179	L52-K71 HydrophobicContact CD2-CB 4.12Å; L52-K71 HydrophobicContact CD2-CD 4.29Å; G67-K71 WeakPolarHBondContact O-CB 3.49Å; G67-K71 WeakPolarHBondContact O-CG 3.29Å; G67-K71 PolarHBondContact O-N 2.64Å; Q68-K71 PolarHBondContact O-N 3.01Å; L69-K71 VanDerWaalsContact C-N 3.35Å; L69-K71 PolarHBondContact O-N 2.67Å; K71-S74 PolarHBondContact O-N 3.34Å; K71-K75 VanDerWaalsContact O-CB 3.29Å; K71-K75 WeakPolarHBondContact O-CB 3.24Å; K71-K75 PolarHBondContact O-N 2.88Å; K71-L175 HydrophobicContact CG-CD1 4.27Å; K71-L175 HydrophobicContact CG-CD2 4Å; K71-E179 WeakPolarHBondContact CE-OE1 3.43Å; K71-E179 WeakPolarHBondContact CE-OE2 3.3Å; K71-E179 IonicContact NZ-OE1 2.71Å; K71-E179 PolarHBondContact NZ-OE1 3.15Å; K71-E179 IonicContact NZ-OE2 3.22Å; K71-E179 PolarHBondContact NZ-OE2 2.81Å
72	Y	98.7	Very high	97.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.7	-52.9	175.8	178.6	-96.7	0	0	0	112.1	F46 I48 L52 Q68 L69 S74 K75 L76 H92 L107 I108 F111	F46-Y72 HydrophobicContact CE2-CE2 4.17Å; F46-Y72 HydrophobicContact CZ-CE2 4.35Å; I48-Y72 HydrophobicContact CG2-CD2 4.05Å; I48-Y72 HydrophobicContact CG2-CE2 4.4Å; L52-Y72 HydrophobicContact CD1-CD2 4.44Å; Q68-Y72 PolarHBondContact O-N 3.49Å; L69-Y72 WeakPolarHBondContact O-CB 3.29Å; L69-Y72 PolarHBondContact O-N 2.84Å; Y72-S74 VanDerWaalsContact C-N 3.3Å; Y72-S74 PolarHBondContact O-N 2.95Å; Y72-K75 WeakPolarHBondContact O-CB 3.44Å; Y72-K75 PolarHBondContact O-N 3.44Å; Y72-K75 VanDerWaalsContact O-N 3.13Å; Y72-L76 HydrophobicContact CE1-CB 4.44Å; Y72-L76 HydrophobicContact CE1-CD2 3.77Å; Y72-L76 WeakPolarHBondContact O-CB 3.32Å; Y72-L76 PolarHBondContact O-N 3.46Å; Y72-H92 AromaticContact CE2-CE1 3.58Å; Y72-H92 AromaticContact CE2-ND1 3.92Å; Y72-H92 AromaticContact CE2-NE2 3.77Å; Y72-H92 AromaticContact CZ-CE1 3.89Å; Y72-H92 AromaticContact CZ-ND1 3.85Å; Y72-H92 PolarHBondContact OH-ND1 3.08Å; Y72-L107 HydrophobicContact CD1-CB 3.78Å; Y72-L107 HydrophobicContact CD2-CB 3.99Å; Y72-L107 HydrophobicContact CD2-CD1 3.77Å; Y72-L107 HydrophobicContact CD2-CG 4.42Å; Y72-L107 HydrophobicContact CE1-CB 4.05Å; Y72-L107 HydrophobicContact CE2-CB 4.24Å; Y72-L107 HydrophobicContact CE2-CD1 4.44Å; Y72-L107 HydrophobicContact CG-CB 3.75Å; Y72-L107 HydrophobicContact CG-CD1 3.96Å; Y72-L107 HydrophobicContact CG-CD2 4.23Å; Y72-L107 HydrophobicContact CG-CG 4.21Å; Y72-I108 HydrophobicContact CE1-CB 4.23Å; Y72-I108 HydrophobicContact CE1-CG1 4.5Å; Y72-I108 WeakPolarHBondContact OH-CB 3.36Å; Y72-I108 WeakPolarHBondContact OH-CG1 3.42Å; Y72-F111 HydrophobicContact CD1-CB 4.48Å; Y72-F111 HydrophobicContact CE1-CB 4.04Å
73	C	98.5	Very high	97.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.6	-44	178.9	-72.5	0	0	0	0	111.6	L69 Y70 L76 N77 F111 Y115 F170	L69-C73 WeakPolarHBondContact O-CB 3.38Å; L69-C73 PolarHBondContact O-N 2.86Å; L69-C73 PolarHBondContact O-SG 3.09Å; L69-C73 VanDerWaalsContact O-SG 3.39Å; Y70-C73 PolarHBondContact O-N 3.5Å; C73-L76 PolarHBondContact O-N 3.13Å; C73-N77 VanDerWaalsContact O-CB 3.28Å; C73-N77 WeakPolarHBondContact O-CB 3.35Å; C73-N77 PolarHBondContact O-N 2.89Å; C73-N77 PolarHBondContact O-ND2 3.37Å; C73-F111 HydrophobicContact CB-CD2 4.29Å; C73-Y115 HydrophobicContact CB-CD2 4.37Å; C73-Y115 HydrophobicContact CB-CE2 3.6Å; C73-F170 HydrophobicContact CB-CD2 4.45Å; C73-F170 HydrophobicContact CB-CE2 4.21Å
74	S	97.5	Very high	97.2	Very high	29 Å²	29	43 Å²	43	20%	0.203	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-44.7	174.4	-67.6	0	0	0	0	112.6	Y70 K71 Y72 K78	Y70-S74 VanDerWaalsContact O-CB 3.24Å; Y70-S74 WeakPolarHBondContact O-CB 3.33Å; Y70-S74 PolarHBondContact O-N 3.36Å; Y70-S74 PolarHBondContact O-OG 2.92Å; K71-S74 PolarHBondContact O-N 3.34Å; Y72-S74 VanDerWaalsContact C-N 3.3Å; Y72-S74 PolarHBondContact O-N 2.95Å; S74-K78 VanDerWaalsContact O-CB 3.32Å; S74-K78 WeakPolarHBondContact O-CB 3.42Å; S74-K78 WeakPolarHBondContact O-CG 3.47Å; S74-K78 PolarHBondContact O-N 3.49Å
75	K	97.8	Very high	97	Very high	43 Å²	43	44 Å²	44	19%	0.187	24%	0.235	C	C	.	.	H	α-helix	trans	-63.6	-44.7	177.8	-177.9	-176.3	-175	178.3	0	111.7	F46 S47 I48 E51 K71 Y72 K78 K79	F46-K75 HydrophobicContact CE2-CD 4.49Å; S47-K75 PolarHBondContact O-NZ 2.88Å; I48-K75 HydrophobicContact CG2-CD 4.46Å; E51-K75 WeakPolarHBondContact OE1-CD 3.39Å; E51-K75 WeakPolarHBondContact OE1-CE 3.44Å; E51-K75 IonicContact OE1-NZ 3.74Å; E51-K75 PolarHBondContact OE1-NZ 2.86Å; E51-K75 IonicContact OE2-NZ 3.5Å; E51-K75 PolarHBondContact OE2-NZ 3.07Å; K71-K75 VanDerWaalsContact O-CB 3.29Å; K71-K75 WeakPolarHBondContact O-CB 3.24Å; K71-K75 PolarHBondContact O-N 2.88Å; Y72-K75 WeakPolarHBondContact O-CB 3.44Å; Y72-K75 PolarHBondContact O-N 3.44Å; Y72-K75 VanDerWaalsContact O-N 3.13Å; K75-K78 PolarHBondContact O-N 2.91Å; K75-K79 WeakPolarHBondContact O-CG 3.25Å; K75-K79 PolarHBondContact O-N 2.88Å
76	L	97.9	Very high	96.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-69.3	-45.9	-179.6	178.4	53.2	0	0	0	111.5	L28 F46 Y72 C73 K78 K79 L80 I90 F111	L28-L76 HydrophobicContact CD1-CD1 3.72Å; L28-L76 HydrophobicContact CD2-CD1 4.24Å; L28-L76 HydrophobicContact CD2-CD2 3.94Å; F46-L76 HydrophobicContact CE1-CD1 4.43Å; F46-L76 HydrophobicContact CZ-CD1 4.24Å; Y72-L76 HydrophobicContact CE1-CB 4.44Å; Y72-L76 HydrophobicContact CE1-CD2 3.77Å; Y72-L76 WeakPolarHBondContact O-CB 3.32Å; Y72-L76 PolarHBondContact O-N 3.46Å; C73-L76 PolarHBondContact O-N 3.13Å; L76-K78 VanDerWaalsContact C-N 3.32Å; L76-K78 PolarHBondContact O-N 3.04Å; L76-K79 PolarHBondContact O-N 2.83Å; L76-K79 VanDerWaalsContact O-N 3.07Å; L76-L80 HydrophobicContact CD1-CD1 3.96Å; L76-L80 HydrophobicContact CD1-CG 4.04Å; L76-L80 HydrophobicContact CG-CD1 3.92Å; L76-L80 HydrophobicContact CG-CG 4.49Å; L76-L80 WeakPolarHBondContact O-CG 3.37Å; L76-L80 PolarHBondContact O-N 3.36Å; L76-I90 HydrophobicContact CD1-CG2 4.45Å; L76-F111 HydrophobicContact CB-CD2 4.5Å; L76-F111 HydrophobicContact CB-CE2 4.26Å; L76-F111 HydrophobicContact CD2-CB 4.43Å; L76-F111 HydrophobicContact CD2-CD1 3.62Å; L76-F111 HydrophobicContact CD2-CD2 3.73Å; L76-F111 HydrophobicContact CD2-CE1 3.69Å; L76-F111 HydrophobicContact CD2-CE2 3.79Å; L76-F111 HydrophobicContact CD2-CG 3.64Å; L76-F111 HydrophobicContact CD2-CZ 3.78Å; L76-F111 HydrophobicContact CG-CD2 4.31Å; L76-F111 HydrophobicContact CG-CE1 4.28Å; L76-F111 HydrophobicContact CG-CE2 3.93Å; L76-F111 HydrophobicContact CG-CZ 3.93Å
77	N	97.1	Very high	96.2	Very high	31 Å²	31	56.9 Å²	56.9	17%	0.166	30%	0.298	C	S	.	.	H	α-helix	trans	-60.6	-39.5	174.2	-80.7	-32.7	0	0	0	112.3	C73 K79 L80 K81 F111 Y115	C73-N77 VanDerWaalsContact O-CB 3.28Å; C73-N77 WeakPolarHBondContact O-CB 3.35Å; C73-N77 PolarHBondContact O-N 2.89Å; C73-N77 PolarHBondContact O-ND2 3.37Å; N77-K79 VanDerWaalsContact C-N 3.33Å; N77-K79 PolarHBondContact O-N 3.2Å; N77-L80 PolarHBondContact O-N 3.02Å; N77-K81 WeakPolarHBondContact O-CB 3.3Å; N77-K81 WeakPolarHBondContact O-CG 3.35Å; N77-K81 PolarHBondContact O-N 2.88Å; N77-F111 WeakPolarHBondContact OD1-CE2 3.26Å; N77-Y115 VanDerWaalsContact ND2-CE1 3.26Å; N77-Y115 WeakPolarHBondContact ND2-CE1 3.44Å
78	K	97.1	Very high	96	Very high	160 Å²	160	59.8 Å²	59.8	70%	0.696	31%	0.311	S	S	*	.	H	α-helix	trans	-62.8	-36.2	172.8	-76.9	173.3	-179.5	-179.3	0	112.7	S74 K75 L76 S82	S74-K78 VanDerWaalsContact O-CB 3.32Å; S74-K78 WeakPolarHBondContact O-CB 3.42Å; S74-K78 WeakPolarHBondContact O-CG 3.47Å; S74-K78 PolarHBondContact O-N 3.49Å; K75-K78 PolarHBondContact O-N 2.91Å; L76-K78 VanDerWaalsContact C-N 3.32Å; L76-K78 PolarHBondContact O-N 3.04Å; K78-S82 WeakPolarHBondContact O-CB 3.36Å; K78-S82 PolarHBondContact O-N 3.43Å
79	K	97.4	Very high	95.9	Very high	40 Å²	40	60.6 Å²	60.6	17%	0.174	31%	0.314	C	S	.	.	H	α-helix	trans	-70.7	-46.6	175.1	-75.2	-178.5	175.1	-62.8	0	112.5	H44 F46 K75 L76 N77 K81 S82 L85 I90	H44-K79 PolarHBondContact NE2-NZ 3.21Å; F46-K79 HydrophobicContact CD1-CD 3.95Å; F46-K79 HydrophobicContact CD2-CD 4.46Å; F46-K79 HydrophobicContact CE1-CD 4.2Å; F46-K79 HydrophobicContact CG-CD 4.08Å; K75-K79 WeakPolarHBondContact O-CG 3.25Å; K75-K79 PolarHBondContact O-N 2.88Å; L76-K79 PolarHBondContact O-N 2.83Å; L76-K79 VanDerWaalsContact O-N 3.07Å; N77-K79 VanDerWaalsContact C-N 3.33Å; N77-K79 PolarHBondContact O-N 3.2Å; K79-K81 VanDerWaalsContact C-N 3.27Å; K79-K81 PolarHBondContact O-N 2.97Å; K79-S82 WeakPolarHBondContact O-CB 3.47Å; K79-S82 PolarHBondContact O-N 2.9Å; K79-S82 VanDerWaalsContact O-N 3.13Å; K79-L85 HydrophobicContact CB-CD1 4.07Å; K79-L85 HydrophobicContact CG-CD1 4.08Å; K79-I90 HydrophobicContact CB-CD1 4.03Å
80	L	96.4	Very high	95.8	Very high	37 Å²	37	60.6 Å²	60.6	19%	0.194	31%	0.314	C	S	.	.	H	α-helix	trans	-61.9	-33.8	178.8	-70.9	165.3	0	0	0	112.4	L76 N77 I90 F111	L76-L80 HydrophobicContact CD1-CD1 3.96Å; L76-L80 HydrophobicContact CD1-CG 4.04Å; L76-L80 HydrophobicContact CG-CD1 3.92Å; L76-L80 HydrophobicContact CG-CG 4.49Å; L76-L80 WeakPolarHBondContact O-CG 3.37Å; L76-L80 PolarHBondContact O-N 3.36Å; N77-L80 PolarHBondContact O-N 3.02Å; L80-I90 HydrophobicContact CD2-CD1 4.07Å; L80-I90 HydrophobicContact CG-CD1 4.45Å; L80-F111 HydrophobicContact CD1-CE1 4.32Å; L80-F111 HydrophobicContact CD1-CZ 3.82Å
81	K	95.6	Very high	95.7	Very high	180 Å²	180	58 Å²	58	78%	0.783	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	4.7	176.7	-62.9	-180	-179.9	-175.3	0	114.2	N77 K79	N77-K81 WeakPolarHBondContact O-CB 3.3Å; N77-K81 WeakPolarHBondContact O-CG 3.35Å; N77-K81 PolarHBondContact O-N 2.88Å; K79-K81 VanDerWaalsContact C-N 3.27Å; K79-K81 PolarHBondContact O-N 2.97Å
82	S	95.4	Very high	95.7	Very high	37 Å²	37	54.3 Å²	54.3	26%	0.259	29%	0.287	S	S	.	.			trans	-84.1	119.8	-176.1	-176.4	0	0	0	0	111.3	K78 K79 S84 L85 N86	K78-S82 WeakPolarHBondContact O-CB 3.36Å; K78-S82 PolarHBondContact O-N 3.43Å; K79-S82 WeakPolarHBondContact O-CB 3.47Å; K79-S82 PolarHBondContact O-N 2.9Å; K79-S82 VanDerWaalsContact O-N 3.13Å; S82-S84 VanDerWaalsContact C-N 3.29Å; S82-S84 PolarHBondContact O-N 3.42Å; S82-S84 PolarHBondContact OG-OG 2.85Å; S82-S84 VanDerWaalsContact OG-OG 3.13Å; S82-L85 CarbonylContact O-C 3.46Å; S82-L85 WeakPolarHBondContact O-CA 3.34Å; S82-L85 PolarHBondContact O-N 2.9Å; S82-N86 PolarHBondContact O-N 2.88Å; S82-N86 VanDerWaalsContact O-N 3.12Å
83	G	93.1	Very high	95.5	Very high	67 Å²	67	55.7 Å²	55.7	69%	0.691	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-54.4	-41.6	179.3	0	0	0	0	0	113.6	L85 N86	G83-L85 PolarHBondContact O-N 3.13Å; G83-L85 VanDerWaalsContact O-N 3.12Å; G83-N86 VanDerWaalsContact O-CB 3.31Å; G83-N86 WeakPolarHBondContact O-CB 3.42Å; G83-N86 PolarHBondContact O-N 3.47Å; G83-N86 VanDerWaalsContact O-N 3.11Å
84	S	92.4	Very high	95.5	Very high	99 Å²	99	55.7 Å²	55.7	69%	0.692	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-67.7	-7.9	176.4	53.9	0	0	0	0	114.9	S82	S82-S84 VanDerWaalsContact C-N 3.29Å; S82-S84 PolarHBondContact O-N 3.42Å; S82-S84 PolarHBondContact OG-OG 2.85Å; S82-S84 VanDerWaalsContact OG-OG 3.13Å
85	L	93.3	Very high	95.3	Very high	20 Å²	20	56 Å²	56	11%	0.105	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-118.5	6.6	175.5	-58.2	-178	0	0	0	112.3	R27 H44 K79 S82 G83 E87 K88 I90	R27-L85 PolarHBondContact NH2-O 2.84Å; H44-L85 HydrophobicContact CB-CD2 3.84Å; K79-L85 HydrophobicContact CB-CD1 4.07Å; K79-L85 HydrophobicContact CG-CD1 4.08Å; S82-L85 CarbonylContact O-C 3.46Å; S82-L85 WeakPolarHBondContact O-CA 3.34Å; S82-L85 PolarHBondContact O-N 2.9Å; G83-L85 PolarHBondContact O-N 3.13Å; G83-L85 VanDerWaalsContact O-N 3.12Å; L85-E87 VanDerWaalsContact C-N 3.35Å; L85-E87 PolarHBondContact O-N 3.5Å; L85-K88 HydrophobicContact CD2-CD 4.29Å; L85-K88 PolarHBondContact O-N 2.6Å; L85-K88 VanDerWaalsContact O-N 3.11Å; L85-I90 HydrophobicContact CB-CD1 4.43Å
86	N	89.6	Confident	95.1	Very high	102 Å²	102	58.8 Å²	58.8	55%	0.545	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-45.9	-169.6	-171.7	44.5	0	0	0	112.4	R27 S82 G83	R27-N86 VanDerWaalsContact CZ-O 3.3Å; R27-N86 PolarHBondContact NE-O 3.46Å; R27-N86 PolarHBondContact NH2-O 3.21Å; S82-N86 PolarHBondContact O-N 2.88Å; S82-N86 VanDerWaalsContact O-N 3.12Å; G83-N86 VanDerWaalsContact O-CB 3.31Å; G83-N86 WeakPolarHBondContact O-CB 3.42Å; G83-N86 PolarHBondContact O-N 3.47Å; G83-N86 VanDerWaalsContact O-N 3.11Å
87	E	90.5	Very high	94.9	Very high	187 Å²	187	61.2 Å²	61.2	87%	0.874	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-8.4	-179.7	-63	169.1	178.6	0	0	113.3	L85	L85-E87 VanDerWaalsContact C-N 3.35Å; L85-E87 PolarHBondContact O-N 3.5Å
88	K	94.5	Very high	94.9	Very high	60 Å²	60	62 Å²	62	26%	0.261	33%	0.33	S	S	.	.	S	Bend	trans	-94.7	128.9	-174.5	-57.7	-160.2	-180	-151.4	0	112.1	R27 N40 S41 S42 L85 I90	R27-K88 PolarHBondContact NH1-O 2.94Å; N40-K88 PolarHBondContact O-NZ 3.22Å; S41-K88 VanDerWaalsContact O-CD 3.26Å; S41-K88 WeakPolarHBondContact O-CD 3.33Å; S41-K88 WeakPolarHBondContact O-CE 3.09Å; S41-K88 WeakPolarHBondContact O-CG 3.11Å; S41-K88 PolarHBondContact O-NZ 3.07Å; S42-K88 CarbonylContact O-C 3.38Å; S42-K88 VanDerWaalsContact O-CA 3.29Å; S42-K88 WeakPolarHBondContact O-CA 3.17Å; L85-K88 HydrophobicContact CD2-CD 4.29Å; L85-K88 PolarHBondContact O-N 2.6Å; L85-K88 VanDerWaalsContact O-N 3.11Å; K88-I90 PolarHBondContact O-N 2.92Å
89	K	95.8	Very high	94.9	Very high	48 Å²	48	60.6 Å²	60.6	21%	0.209	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	126.9	166.9	-61.4	174.5	-175.4	163.5	0	108.8	E14 L17 Y29 S42 I43 H44	E14-K89 IonicContact OE1-NZ 2.7Å; E14-K89 PolarHBondContact OE1-NZ 2.79Å; E14-K89 IonicContact OE2-NZ 2.77Å; E14-K89 PolarHBondContact OE2-NZ 3.26Å; L17-K89 HydrophobicContact CD1-CD 3.38Å; Y29-K89 HydrophobicContact CD2-CB 4.3Å; Y29-K89 HydrophobicContact CE2-CB 3.99Å; Y29-K89 HydrophobicContact CE2-CD 4.17Å; Y29-K89 HydrophobicContact CE2-CG 4.06Å; S42-K89 PolarHBondContact O-N 3.25Å; I43-K89 CarbonylContact C-O 3.5Å; I43-K89 WeakPolarHBondContact CA-O 3.39Å; I43-K89 HydrophobicContact CG1-CB 4.32Å; I43-K89 HydrophobicContact CG1-CD 4.33Å; H44-K89 PolarHBondContact N-O 3.46Å
90	I	97.1	Very high	94.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.1	177.8	-69.8	160.7	0	0	0	108.7	R27 L28 Y29 H44 F46 L76 K79 L80 L85 K88	R27-I90 WeakPolarHBondContact O-CB 3.46Å; R27-I90 PolarHBondContact O-N 2.67Å; L28-I90 WeakPolarHBondContact CA-O 3.49Å; L28-I90 HydrophobicContact CD1-CB 4.45Å; L28-I90 HydrophobicContact CD1-CG2 4.02Å; Y29-I90 PolarHBondContact N-O 2.73Å; H44-I90 HydrophobicContact CB-CG1 4.4Å; F46-I90 HydrophobicContact CD1-CG2 3.99Å; F46-I90 HydrophobicContact CE1-CG2 3.65Å; L76-I90 HydrophobicContact CD1-CG2 4.45Å; K79-I90 HydrophobicContact CB-CD1 4.03Å; L80-I90 HydrophobicContact CD2-CD1 4.07Å; L80-I90 HydrophobicContact CG-CD1 4.45Å; L85-I90 HydrophobicContact CB-CD1 4.43Å; K88-I90 PolarHBondContact O-N 2.92Å
91	A	96.4	Very high	95	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	113.6	-176.8	0	0	0	0	0	110.8	L31 I43 H44 F45 F46 F93	L31-A91 HydrophobicContact CD2-CB 4.02Å; I43-A91 HydrophobicContact CG2-CB 4.12Å; H44-A91 PolarHBondContact O-N 2.9Å; F45-A91 CarbonylContact C-O 3.55Å; F45-A91 WeakPolarHBondContact CA-O 3.33Å; F45-A91 HydrophobicContact CD1-CB 3.41Å; F45-A91 VanDerWaalsContact CD1-CB 3.41Å; F45-A91 HydrophobicContact CE1-CB 3.54Å; F45-A91 HydrophobicContact CG-CB 4.24Å; F45-A91 HydrophobicContact CZ-CB 4.45Å; F46-A91 PolarHBondContact N-O 2.93Å; A91-F93 PolarHBondContact O-N 3.18Å
92	H	97.4	Very high	95.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	107.9	171.5	179.1	-147.5	0	0	0	109	Y29 F30 L31 F46 Y72 I108	Y29-H92 PolarHBondContact O-N 2.85Å; F30-H92 WeakPolarHBondContact CA-O 3.45Å; F30-H92 HydrophobicContact CD2-CB 4.22Å; F30-H92 AromaticContact CD2-ND1 3.49Å; F30-H92 WeakPolarHBondContact CD2-ND1 3.43Å; F30-H92 VanDerWaalsContact CD2-O 3.32Å; F30-H92 WeakPolarHBondContact CD2-O 3.48Å; F30-H92 AromaticContact CE2-CE1 3.99Å; F30-H92 AromaticContact CE2-ND1 3.71Å; L31-H92 PolarHBondContact N-O 3.3Å; L31-H92 VanDerWaalsContact N-O 3.08Å; F46-H92 HydrophobicContact CE1-CB 3.75Å; F46-H92 HydrophobicContact CE2-CB 4.47Å; F46-H92 AromaticContact CE2-CD2 3.77Å; F46-H92 HydrophobicContact CZ-CB 3.73Å; F46-H92 AromaticContact CZ-CD2 3.89Å; F46-H92 AromaticContact CZ-CG 3.91Å; F46-H92 CarbonylContact O-C 3.34Å; F46-H92 WeakPolarHBondContact O-CA 3.39Å; Y72-H92 AromaticContact CE2-CE1 3.58Å; Y72-H92 AromaticContact CE2-ND1 3.92Å; Y72-H92 AromaticContact CE2-NE2 3.77Å; Y72-H92 AromaticContact CZ-CE1 3.89Å; Y72-H92 AromaticContact CZ-ND1 3.85Å; Y72-H92 PolarHBondContact OH-ND1 3.08Å; H92-I108 HydrophobicContact CB-CD1 4.28Å
93	F	95.9	Very high	95.2	Very high	30 Å²	30	50.3 Å²	50.3	13%	0.132	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	147.3	177.1	80.4	-91.6	0	0	0	112.5	L31 P36 P37 F45 F46 S47 A91	L31-F93 HydrophobicContact CD2-CB 3.85Å; L31-F93 HydrophobicContact CG-CB 4.15Å; L31-F93 VanDerWaalsContact O-CA 3.29Å; L31-F93 WeakPolarHBondContact O-CA 3.43Å; P36-F93 HydrophobicContact CB-CE2 3.93Å; P36-F93 HydrophobicContact CB-CZ 3.93Å; P37-F93 HydrophobicContact CG-CB 4.33Å; P37-F93 HydrophobicContact CG-CD1 3.83Å; P37-F93 HydrophobicContact CG-CD2 4.41Å; P37-F93 HydrophobicContact CG-CE1 4.19Å; P37-F93 HydrophobicContact CG-CG 3.94Å; F45-F93 HydrophobicContact CB-CD1 3.92Å; F45-F93 HydrophobicContact CB-CE1 4.08Å; F45-F93 HydrophobicContact CD1-CD1 4.32Å; F46-F93 VanDerWaalsContact O-CD1 3.25Å; F46-F93 WeakPolarHBondContact O-CD1 3.42Å; F46-F93 PolarHBondContact O-N 3.42Å; S47-F93 WeakPolarHBondContact CA-O 3.46Å; S47-F93 WeakPolarHBondContact CB-O 3.22Å; S47-F93 PolarHBondContact OG-O 3.09Å; A91-F93 PolarHBondContact O-N 3.18Å
94	T	96.7	Very high	95.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	161.2	172.2	-171	0	0	0	0	109.9	F30 L31 S32 C33 D49 R101 A104	F30-T94 HydrophobicContact CE2-CG2 4.07Å; F30-T94 HydrophobicContact CZ-CG2 3.98Å; L31-T94 PolarHBondContact O-N 1.91Å; S32-T94 CarbonylContact C-O 3.57Å; S32-T94 WeakPolarHBondContact CA-O 3.49Å; C33-T94 PolarHBondContact N-O 2.93Å; D49-T94 WeakPolarHBondContact OD1-CA 3.32Å; D49-T94 WeakPolarHBondContact OD1-CB 3.43Å; D49-T94 PolarHBondContact OD1-OG1 3.12Å; D49-T94 PolarHBondContact OD2-OG1 3.47Å; T94-R101 HydrophobicContact CG2-CB 4.21Å; T94-R101 HydrophobicContact CG2-CG 4.18Å; T94-A104 HydrophobicContact CG2-CB 3.96Å
95	S	94.3	Very high	95.8	Very high	36 Å²	36	42.4 Å²	42.4	25%	0.252	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	169.9	177.6	59.7	0	0	0	0	112.6	C33 D49 D97 K100	C33-S95 WeakPolarHBondContact O-CA 3.38Å; D49-S95 WeakPolarHBondContact OD2-CB 3.49Å; D49-S95 PolarHBondContact OD2-N 2.65Å; D49-S95 PolarHBondContact OD2-OG 2.62Å; S95-D97 PolarHBondContact O-N 2.9Å; S95-K100 WeakPolarHBondContact OG-CD 3.49Å
96	H	93	Very high	96	Very high	101 Å²	101	41.5 Å²	41.5	47%	0.468	20%	0.199	S	C	.	.	S	Bend	trans	-74.5	-2.6	175.4	-76.3	-166	0	0	0	114.3	S32 C33 S98 R101	S32-H96 PolarHBondContact O-CD2 2.86Å; S32-H96 PolarHBondContact O-NE2 2.83Å; C33-H96 WeakPolarHBondContact CA-NE2 3.36Å; C33-H96 PolarHBondContact N-NE2 3.31Å; C33-H96 VanDerWaalsContact N-NE2 3.18Å; C33-H96 PolarHBondContact O-CD2 2.87Å; C33-H96 VanDerWaalsContact O-CD2 3.3Å; C33-H96 PolarHBondContact O-N 2.78Å; H96-S98 PolarHBondContact O-N 3.32Å; H96-R101 PolarHBondContact O-NH1 3.03Å
97	D	95.1	Very high	96.5	Very high	51 Å²	51	36.6 Å²	36.6	27%	0.273	17%	0.173	S	C	.	.			trans	-63.7	116.5	171.6	-175.9	-45.5	0	0	0	109.8	S95 R99 K100 R101	S95-D97 PolarHBondContact O-N 2.9Å; D97-R99 PolarHBondContact O-N 2.86Å; D97-R99 VanDerWaalsContact O-N 3.08Å; D97-R99 VanDerWaalsContact OD1-CB 3.24Å; D97-R99 WeakPolarHBondContact OD1-CB 3.47Å; D97-R99 IonicContact OD1-CZ 3.32Å; D97-R99 PolarHBondContact OD1-N 3.06Å; D97-R99 IonicContact OD1-NE 3.24Å; D97-R99 PolarHBondContact OD1-NE 3.44Å; D97-R99 IonicContact OD1-NH2 3.42Å; D97-R99 IonicContact OD2-CZ 3.57Å; D97-R99 IonicContact OD2-NE 2.78Å; D97-R99 PolarHBondContact OD2-NE 3.42Å; D97-R99 IonicContact OD2-NH2 3.08Å; D97-R99 PolarHBondContact OD2-NH2 3.45Å; D97-K100 HydrophobicContact CB-CB 4.2Å; D97-K100 HydrophobicContact CB-CD 4.33Å; D97-K100 HydrophobicContact CB-CG 4.3Å; D97-K100 PolarHBondContact O-N 2.93Å; D97-R101 PolarHBondContact O-N 3.41Å
98	S	96.3	Very high	96.9	Very high	47 Å²	47	27.7 Å²	27.7	33%	0.329	13%	0.132	S	C	.	.	H	α-helix	trans	-62.8	-18.3	-173.8	-60	0	0	0	0	114.7	H96 R101 A102	H96-S98 PolarHBondContact O-N 3.32Å; S98-R101 PolarHBondContact OG-NH1 3.39Å; S98-R101 PolarHBondContact OG-NH2 3.23Å; S98-R101 VanDerWaalsContact OG-NH2 3.15Å; S98-A102 VanDerWaalsContact O-CB 3.3Å; S98-A102 WeakPolarHBondContact O-CB 3.44Å; S98-A102 PolarHBondContact O-N 2.76Å; S98-A102 VanDerWaalsContact O-N 3.17Å
99	R	97.3	Very high	97	Very high	130 Å²	130	24.9 Å²	24.9	49%	0.491	12%	0.119	S	C	.	.	H	α-helix	trans	-76.7	-46.8	172.2	-57.4	167.8	-66.5	178.5	0.1	110.9	F61 D97 A102 N103 L136	F61-R99 HydrophobicContact CB-CB 4.15Å; F61-R99 HydrophobicContact CB-CG 4.12Å; F61-R99 HydrophobicContact CD1-CG 4.12Å; F61-R99 HydrophobicContact CD2-CB 3.57Å; F61-R99 HydrophobicContact CD2-CG 3.87Å; F61-R99 HydrophobicContact CE2-CB 4.14Å; F61-R99 HydrophobicContact CE2-CG 4.33Å; F61-R99 HydrophobicContact CG-CB 3.89Å; F61-R99 HydrophobicContact CG-CG 3.76Å; D97-R99 PolarHBondContact O-N 2.86Å; D97-R99 VanDerWaalsContact O-N 3.08Å; D97-R99 VanDerWaalsContact OD1-CB 3.24Å; D97-R99 WeakPolarHBondContact OD1-CB 3.47Å; D97-R99 IonicContact OD1-CZ 3.32Å; D97-R99 PolarHBondContact OD1-N 3.06Å; D97-R99 IonicContact OD1-NE 3.24Å; D97-R99 PolarHBondContact OD1-NE 3.44Å; D97-R99 IonicContact OD1-NH2 3.42Å; D97-R99 IonicContact OD2-CZ 3.57Å; D97-R99 IonicContact OD2-NE 2.78Å; D97-R99 PolarHBondContact OD2-NE 3.42Å; D97-R99 IonicContact OD2-NH2 3.08Å; D97-R99 PolarHBondContact OD2-NH2 3.45Å; R99-A102 PolarHBondContact O-N 2.92Å; R99-N103 PolarHBondContact O-N 2.88Å; R99-L136 HydrophobicContact CG-CD2 3.64Å
100	K	97.3	Very high	97.2	Very high	55 Å²	55	22.6 Å²	22.6	24%	0.239	11%	0.109	C	C	.	.	H	α-helix	trans	-63.7	-45.8	176	-71.2	-177.7	160.8	-170.2	0	110.3	D49 E50 S95 D97 A102 N103 A104	D49-K100 HydrophobicContact CB-CD 3.97Å; D49-K100 WeakPolarHBondContact O-CE 3.5Å; D49-K100 PolarHBondContact O-NZ 2.87Å; D49-K100 VanDerWaalsContact O-NZ 3.12Å; D49-K100 WeakPolarHBondContact OD2-CD 3.46Å; E50-K100 IonicContact OE1-NZ 3.24Å; E50-K100 PolarHBondContact OE1-NZ 3.06Å; E50-K100 IonicContact OE2-NZ 2.67Å; E50-K100 PolarHBondContact OE2-NZ 3.21Å; E50-K100 VanDerWaalsContact OE2-NZ 3.08Å; S95-K100 WeakPolarHBondContact OG-CD 3.49Å; D97-K100 HydrophobicContact CB-CB 4.2Å; D97-K100 HydrophobicContact CB-CD 4.33Å; D97-K100 HydrophobicContact CB-CG 4.3Å; D97-K100 PolarHBondContact O-N 2.93Å; K100-A102 PolarHBondContact O-N 3.34Å; K100-N103 PolarHBondContact O-N 3.34Å; K100-A104 WeakPolarHBondContact O-CB 3.24Å; K100-A104 PolarHBondContact O-N 2.99Å
101	R	97.2	Very high	97.3	Very high	11 Å²	11	22.7 Å²	22.7	4%	0.042	11%	0.11	C	C	.	.	H	α-helix	trans	-55.5	-46	173.9	-171.6	174	73.7	-97	-0.4	112.8	S32 T94 H96 D97 S98 A105 P134 F135	S32-R101 WeakPolarHBondContact OG-CD 3.13Å; S32-R101 WeakPolarHBondContact OG-CG 3.35Å; T94-R101 HydrophobicContact CG2-CB 4.21Å; T94-R101 HydrophobicContact CG2-CG 4.18Å; H96-R101 PolarHBondContact O-NH1 3.03Å; D97-R101 PolarHBondContact O-N 3.41Å; S98-R101 PolarHBondContact OG-NH1 3.39Å; S98-R101 PolarHBondContact OG-NH2 3.23Å; S98-R101 VanDerWaalsContact OG-NH2 3.15Å; R101-A105 WeakPolarHBondContact O-CB 3.34Å; R101-A105 PolarHBondContact O-N 2.92Å; R101-P134 PolarHBondContact NH2-O 3.39Å; R101-F135 HydrophobicContact CG-CD1 3.99Å; R101-F135 HydrophobicContact CG-CE1 3.84Å
102	A	98.2	Very high	97.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.9	-41.6	177.7	0	0	0	0	0	113	F61 S98 R99 K100 F106 F135 F138	F61-A102 HydrophobicContact CE2-CB 4.13Å; S98-A102 VanDerWaalsContact O-CB 3.3Å; S98-A102 WeakPolarHBondContact O-CB 3.44Å; S98-A102 PolarHBondContact O-N 2.76Å; S98-A102 VanDerWaalsContact O-N 3.17Å; R99-A102 PolarHBondContact O-N 2.92Å; K100-A102 PolarHBondContact O-N 3.34Å; A102-F106 WeakPolarHBondContact O-CB 3.33Å; A102-F106 PolarHBondContact O-N 3.49Å; A102-F135 HydrophobicContact CB-CB 4.28Å; A102-F138 HydrophobicContact CB-CE1 4.13Å; A102-F138 HydrophobicContact CB-CZ 4.21Å
103	N	98.7	Very high	97.4	Very high	13 Å²	13	22.9 Å²	22.9	7%	0.07	11%	0.111	C	C	.	.	H	α-helix	trans	-67.6	-43.5	176	-80.4	-28.3	0	0	0	112.8	F61 G62 L64 R99 K100 A105 F106 L107 F138	F61-N103 PolarHBondContact O-ND2 3.39Å; G62-N103 WeakPolarHBondContact CA-OD1 3.35Å; L64-N103 HydrophobicContact CD1-CB 3.85Å; L64-N103 HydrophobicContact CG-CB 4.02Å; R99-N103 PolarHBondContact O-N 2.88Å; K100-N103 PolarHBondContact O-N 3.34Å; N103-A105 VanDerWaalsContact C-N 3.32Å; N103-A105 PolarHBondContact O-N 3.44Å; N103-F106 WeakPolarHBondContact O-CB 3.3Å; N103-F106 PolarHBondContact O-N 3.34Å; N103-L107 WeakPolarHBondContact O-CG 3.28Å; N103-L107 PolarHBondContact O-N 2.83Å; N103-F138 WeakPolarHBondContact OD1-CE1 3.44Å
104	A	98.4	Very high	97.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.6	-38.2	177.6	0	0	0	0	0	111.8	F30 I48 T94 K100 I108	F30-A104 HydrophobicContact CE2-CB 3.94Å; F30-A104 HydrophobicContact CZ-CB 4.19Å; I48-A104 HydrophobicContact CD1-CB 4.22Å; T94-A104 HydrophobicContact CG2-CB 3.96Å; K100-A104 WeakPolarHBondContact O-CB 3.24Å; K100-A104 PolarHBondContact O-N 2.99Å; A104-I108 WeakPolarHBondContact O-CG2 3.43Å; A104-I108 PolarHBondContact O-N 3.02Å
105	A	98.3	Very high	97.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.2	-39.9	172.6	0	0	0	0	0	112.6	F30 R101 N103 G109 L127 F135 L152	F30-A105 HydrophobicContact CE1-CB 4.09Å; F30-A105 HydrophobicContact CZ-CB 4.02Å; R101-A105 WeakPolarHBondContact O-CB 3.34Å; R101-A105 PolarHBondContact O-N 2.92Å; N103-A105 VanDerWaalsContact C-N 3.32Å; N103-A105 PolarHBondContact O-N 3.44Å; A105-G109 WeakPolarHBondContact O-CA 3.41Å; A105-G109 PolarHBondContact O-N 3.16Å; A105-L127 HydrophobicContact CB-CD1 4.32Å; A105-L127 WeakPolarHBondContact O-CD1 3.47Å; A105-F135 HydrophobicContact CB-CD1 3.67Å; A105-F135 HydrophobicContact CB-CE1 3.32Å; A105-F135 HydrophobicContact CB-CE2 4.45Å; A105-F135 HydrophobicContact CB-CG 4.4Å; A105-F135 HydrophobicContact CB-CZ 3.77Å; A105-L152 HydrophobicContact CB-CD2 3.81Å
106	F	98.7	Very high	97.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-57.6	-51.3	171.8	164.4	-106.1	0	0	0	111.7	P63 L64 L69 A102 N103 I108 G109 S110 F138 L152 C155 V159 I319	P63-F106 HydrophobicContact CB-CD1 3.89Å; P63-F106 HydrophobicContact CB-CD2 4.2Å; P63-F106 HydrophobicContact CB-CE1 3.86Å; P63-F106 HydrophobicContact CB-CE2 4.17Å; P63-F106 HydrophobicContact CB-CG 4.06Å; P63-F106 HydrophobicContact CB-CZ 4.01Å; L64-F106 HydrophobicContact CB-CD1 4.43Å; L64-F106 HydrophobicContact CB-CE1 4.37Å; L64-F106 WeakPolarHBondContact O-CE1 3.32Å; L69-F106 HydrophobicContact CD2-CZ 4.43Å; A102-F106 WeakPolarHBondContact O-CB 3.33Å; A102-F106 PolarHBondContact O-N 3.49Å; N103-F106 WeakPolarHBondContact O-CB 3.3Å; N103-F106 PolarHBondContact O-N 3.34Å; F106-I108 PolarHBondContact O-N 3.03Å; F106-G109 PolarHBondContact O-N 2.63Å; F106-S110 WeakPolarHBondContact CE2-OG 3.11Å; F106-S110 WeakPolarHBondContact O-CB 3.17Å; F106-S110 PolarHBondContact O-N 3.44Å; F106-S110 PolarHBondContact O-OG 2.96Å; F106-F138 HydrophobicContact CB-CZ 4.16Å; F106-L152 VanDerWaalsContact CA-CD1 3.46Å; F106-L152 HydrophobicContact CB-CD1 3.78Å; F106-C155 HydrophobicContact CD2-CB 3.95Å; F106-C155 HydrophobicContact CE2-CB 4.06Å; F106-V159 HydrophobicContact CE2-CG2 4.16Å; F106-I319 HydrophobicContact CE2-CD1 3.69Å; F106-I319 HydrophobicContact CE2-CG1 4.18Å; F106-I319 HydrophobicContact CZ-CD1 3.7Å; F106-I319 HydrophobicContact CZ-CG1 3.75Å; F106-I319 HydrophobicContact CZ-CG2 4.46Å
107	L	98.8	Very high	97.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57.3	-47.9	-179.7	-71.7	176.4	0	0	0	113	I48 L52 L64 L69 Y72 N103 F111	I48-L107 HydrophobicContact CD1-CD1 3.88Å; I48-L107 HydrophobicContact CG1-CD1 3.82Å; L52-L107 HydrophobicContact CD1-CD1 3.94Å; L64-L107 HydrophobicContact CB-CD2 4.32Å; L64-L107 HydrophobicContact CD1-CD1 3.52Å; L64-L107 HydrophobicContact CD1-CD2 4.1Å; L64-L107 HydrophobicContact CD1-CG 3.82Å; L69-L107 HydrophobicContact CB-CD2 4.21Å; L69-L107 HydrophobicContact CD1-CD2 3.93Å; Y72-L107 HydrophobicContact CD1-CB 3.78Å; Y72-L107 HydrophobicContact CD2-CB 3.99Å; Y72-L107 HydrophobicContact CD2-CD1 3.77Å; Y72-L107 HydrophobicContact CD2-CG 4.42Å; Y72-L107 HydrophobicContact CE1-CB 4.05Å; Y72-L107 HydrophobicContact CE2-CB 4.24Å; Y72-L107 HydrophobicContact CE2-CD1 4.44Å; Y72-L107 HydrophobicContact CG-CB 3.75Å; Y72-L107 HydrophobicContact CG-CD1 3.96Å; Y72-L107 HydrophobicContact CG-CD2 4.23Å; Y72-L107 HydrophobicContact CG-CG 4.21Å; N103-L107 WeakPolarHBondContact O-CG 3.28Å; N103-L107 PolarHBondContact O-N 2.83Å; L107-F111 PolarHBondContact O-N 3.44Å
108	I	98.6	Very high	98	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-78.8	-29	-178.4	-160	170.9	0	0	0	112.9	I23 L28 F30 Y72 H92 A104 F106 F111 Q112 L127	I23-I108 HydrophobicContact CG1-CD1 3.93Å; L28-I108 HydrophobicContact CD2-CD1 4.35Å; L28-I108 HydrophobicContact CG-CD1 4.43Å; F30-I108 HydrophobicContact CB-CD1 4.09Å; F30-I108 HydrophobicContact CD2-CG2 4.09Å; F30-I108 HydrophobicContact CE2-CG2 4.37Å; F30-I108 HydrophobicContact CG-CG2 4.16Å; Y72-I108 HydrophobicContact CE1-CB 4.23Å; Y72-I108 HydrophobicContact CE1-CG1 4.5Å; Y72-I108 WeakPolarHBondContact OH-CB 3.36Å; Y72-I108 WeakPolarHBondContact OH-CG1 3.42Å; H92-I108 HydrophobicContact CB-CD1 4.28Å; A104-I108 WeakPolarHBondContact O-CG2 3.43Å; A104-I108 PolarHBondContact O-N 3.02Å; F106-I108 PolarHBondContact O-N 3.03Å; I108-F111 PolarHBondContact O-N 3.25Å; I108-Q112 WeakPolarHBondContact O-CG 3.17Å; I108-Q112 PolarHBondContact O-N 2.8Å; I108-L127 HydrophobicContact CG2-CD1 4.31Å; I108-L127 HydrophobicContact CG2-CD2 3.53Å
109	G	98.6	Very high	98.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.3	-45.9	168.8	0	0	0	0	0	111.6	A105 F106 F111 Q112 I113	A105-G109 WeakPolarHBondContact O-CA 3.41Å; A105-G109 PolarHBondContact O-N 3.16Å; F106-G109 PolarHBondContact O-N 2.63Å; G109-F111 PolarHBondContact O-N 3.26Å; G109-Q112 WeakPolarHBondContact O-CB 3.45Å; G109-Q112 PolarHBondContact O-N 3.22Å; G109-I113 PolarHBondContact O-N 2.95Å
110	S	98.8	Very high	98.2	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64	-38.3	173.8	-61.9	0	0	0	0	112.4	F106 Q112 I113 I114	F106-S110 WeakPolarHBondContact CE2-OG 3.11Å; F106-S110 WeakPolarHBondContact O-CB 3.17Å; F106-S110 PolarHBondContact O-N 3.44Å; F106-S110 PolarHBondContact O-OG 2.96Å; S110-Q112 VanDerWaalsContact C-N 3.34Å; S110-Q112 PolarHBondContact O-N 3.23Å; S110-I113 PolarHBondContact O-N 2.9Å; S110-I114 WeakPolarHBondContact O-CD1 3.43Å; S110-I114 VanDerWaalsContact O-CG1 3.24Å; S110-I114 WeakPolarHBondContact O-CG1 3.45Å; S110-I114 PolarHBondContact O-N 3.08Å
111	F	98.7	Very high	98.2	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.009	13%	0.126	C	C	.	.	H	α-helix	trans	-60.2	-40.7	172.9	179.4	-90.1	0	0	0	112.7	L28 Y72 C73 L76 N77 L80 L107 I108 G109 I113 I114 Y115 L116	L28-F111 HydrophobicContact CD2-CD1 4.49Å; L28-F111 HydrophobicContact CD2-CE1 4.18Å; Y72-F111 HydrophobicContact CD1-CB 4.48Å; Y72-F111 HydrophobicContact CE1-CB 4.04Å; C73-F111 HydrophobicContact CB-CD2 4.29Å; L76-F111 HydrophobicContact CB-CD2 4.5Å; L76-F111 HydrophobicContact CB-CE2 4.26Å; L76-F111 HydrophobicContact CD2-CB 4.43Å; L76-F111 HydrophobicContact CD2-CD1 3.62Å; L76-F111 HydrophobicContact CD2-CD2 3.73Å; L76-F111 HydrophobicContact CD2-CE1 3.69Å; L76-F111 HydrophobicContact CD2-CE2 3.79Å; L76-F111 HydrophobicContact CD2-CG 3.64Å; L76-F111 HydrophobicContact CD2-CZ 3.78Å; L76-F111 HydrophobicContact CG-CD2 4.31Å; L76-F111 HydrophobicContact CG-CE1 4.28Å; L76-F111 HydrophobicContact CG-CE2 3.93Å; L76-F111 HydrophobicContact CG-CZ 3.93Å; N77-F111 WeakPolarHBondContact OD1-CE2 3.26Å; L80-F111 HydrophobicContact CD1-CE1 4.32Å; L80-F111 HydrophobicContact CD1-CZ 3.82Å; L107-F111 PolarHBondContact O-N 3.44Å; I108-F111 PolarHBondContact O-N 3.25Å; G109-F111 PolarHBondContact O-N 3.26Å; F111-I113 VanDerWaalsContact C-N 3.31Å; F111-I113 PolarHBondContact O-N 3.47Å; F111-I114 PolarHBondContact O-N 3.12Å; F111-Y115 AromaticContact CD2-CD2 3.56Å; F111-Y115 HydrophobicContact CD2-CD2 3.56Å; F111-Y115 HydrophobicContact CD2-CE2 4.3Å; F111-Y115 HydrophobicContact CD2-CG 4.21Å; F111-Y115 AromaticContact CE2-CD2 3.63Å; F111-Y115 HydrophobicContact CE2-CD2 3.63Å; F111-Y115 HydrophobicContact CE2-CE2 4.4Å; F111-Y115 AromaticContact CE2-CG 3.87Å; F111-Y115 HydrophobicContact CE2-CG 3.87Å; F111-Y115 HydrophobicContact CG-CD2 4.36Å; F111-Y115 HydrophobicContact CZ-CD2 4.46Å; F111-Y115 HydrophobicContact CZ-CG 4.32Å; F111-Y115 PolarHBondContact O-N 3.47Å; F111-L116 HydrophobicContact CE1-CD1 4.46Å; F111-L116 HydrophobicContact CE1-CD2 4.41Å; F111-L116 HydrophobicContact CE1-CG 4.3Å
112	Q	98.5	Very high	98.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.6	-39.5	175.9	-72.6	176.3	90.3	0	0	112.4	I23 I108 G109 S110 L116 G117 R118 A123	I23-Q112 HydrophobicContact CG2-CG 3.58Å; I108-Q112 WeakPolarHBondContact O-CG 3.17Å; I108-Q112 PolarHBondContact O-N 2.8Å; G109-Q112 WeakPolarHBondContact O-CB 3.45Å; G109-Q112 PolarHBondContact O-N 3.22Å; S110-Q112 VanDerWaalsContact C-N 3.34Å; S110-Q112 PolarHBondContact O-N 3.23Å; Q112-L116 HydrophobicContact CG-CD1 4.15Å; Q112-L116 CarbonylContact O-C 3.51Å; Q112-L116 WeakPolarHBondContact O-CA 3.22Å; Q112-L116 VanDerWaalsContact O-CB 3.3Å; Q112-L116 WeakPolarHBondContact O-CB 3.37Å; Q112-L116 PolarHBondContact O-N 2.81Å; Q112-L116 VanDerWaalsContact O-N 3.13Å; Q112-G117 PolarHBondContact O-N 3.45Å; Q112-R118 HydrophobicContact CB-CB 4.35Å; Q112-R118 PolarHBondContact O-N 3.24Å; Q112-A123 HydrophobicContact CB-CB 3.82Å; Q112-A123 PolarHBondContact NE2-O 3.32Å
113	I	98.6	Very high	98.2	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-68.9	-51.4	177.3	-62.4	166	0	0	0	110.3	G109 S110 F111 G117 P120 A123 L156 V159 N160 L163	G109-I113 PolarHBondContact O-N 2.95Å; S110-I113 PolarHBondContact O-N 2.9Å; F111-I113 VanDerWaalsContact C-N 3.31Å; F111-I113 PolarHBondContact O-N 3.47Å; I113-G117 PolarHBondContact O-N 2.62Å; I113-P120 HydrophobicContact CD1-CB 4.46Å; I113-P120 HydrophobicContact CD1-CG 4.22Å; I113-A123 HydrophobicContact CG1-CB 4.08Å; I113-L156 HydrophobicContact CD1-CB 3.89Å; I113-L156 HydrophobicContact CD1-CD2 3.93Å; I113-L156 HydrophobicContact CD1-CG 4.44Å; I113-L156 WeakPolarHBondContact CD1-O 3.31Å; I113-V159 HydrophobicContact CG2-CG1 4.44Å; I113-N160 HydrophobicContact CG2-CB 4Å; I113-L163 HydrophobicContact CG2-CD2 4.42Å
114	I	98.3	Very high	98.2	Very high	31 Å²	31	29.4 Å²	29.4	16%	0.159	16%	0.155	C	C	.	.	H	α-helix	trans	-72.1	-40.9	-171.3	-60.8	162.3	0	0	0	112.4	L69 S110 F111 V159 L168 F170	L69-I114 HydrophobicContact CD2-CD1 4.14Å; S110-I114 WeakPolarHBondContact O-CD1 3.43Å; S110-I114 VanDerWaalsContact O-CG1 3.24Å; S110-I114 WeakPolarHBondContact O-CG1 3.45Å; S110-I114 PolarHBondContact O-N 3.08Å; F111-I114 PolarHBondContact O-N 3.12Å; I114-V159 HydrophobicContact CD1-CG1 4.04Å; I114-V159 HydrophobicContact CG1-CG1 4.04Å; I114-L168 HydrophobicContact CD1-CD2 3.91Å; I114-L168 HydrophobicContact CG1-CD2 4.12Å; I114-F170 HydrophobicContact CD1-CD2 4.34Å; I114-F170 HydrophobicContact CD1-CE2 3.83Å; I114-F170 HydrophobicContact CD1-CZ 4.49Å; I114-F170 HydrophobicContact CG2-CD2 4.21Å
115	Y	97.8	Very high	98.1	Very high	84 Å²	84	35.6 Å²	35.6	33%	0.329	18%	0.181	S	C	.	.	H	α-helix	trans	-112.4	-15.6	-171.4	-70.7	-79.6	0	0	0	115.1	C73 N77 F111 F170	C73-Y115 HydrophobicContact CB-CD2 4.37Å; C73-Y115 HydrophobicContact CB-CE2 3.6Å; N77-Y115 VanDerWaalsContact ND2-CE1 3.26Å; N77-Y115 WeakPolarHBondContact ND2-CE1 3.44Å; F111-Y115 AromaticContact CD2-CD2 3.56Å; F111-Y115 HydrophobicContact CD2-CD2 3.56Å; F111-Y115 HydrophobicContact CD2-CE2 4.3Å; F111-Y115 HydrophobicContact CD2-CG 4.21Å; F111-Y115 AromaticContact CE2-CD2 3.63Å; F111-Y115 HydrophobicContact CE2-CD2 3.63Å; F111-Y115 HydrophobicContact CE2-CE2 4.4Å; F111-Y115 AromaticContact CE2-CG 3.87Å; F111-Y115 HydrophobicContact CE2-CG 3.87Å; F111-Y115 HydrophobicContact CG-CD2 4.36Å; F111-Y115 HydrophobicContact CZ-CD2 4.46Å; F111-Y115 HydrophobicContact CZ-CG 4.32Å; F111-Y115 PolarHBondContact O-N 3.47Å; Y115-F170 HydrophobicContact CE2-CD2 4.24Å
116	L	97.3	Very high	97.9	Very high	63 Å²	63	38 Å²	38	33%	0.33	19%	0.193	S	C	.	.	H	α-helix	trans	-115	2.9	177.9	-48	179.4	0	0	0	113.2	I23 I24 F111 Q112 R118	I23-L116 HydrophobicContact CG2-CD1 4.17Å; I24-L116 HydrophobicContact CD1-CD1 4.07Å; I24-L116 HydrophobicContact CD1-CD2 3.91Å; I24-L116 HydrophobicContact CG1-CD1 3.76Å; I24-L116 HydrophobicContact CG1-CD2 4.32Å; F111-L116 HydrophobicContact CE1-CD1 4.46Å; F111-L116 HydrophobicContact CE1-CD2 4.41Å; F111-L116 HydrophobicContact CE1-CG 4.3Å; Q112-L116 HydrophobicContact CG-CD1 4.15Å; Q112-L116 CarbonylContact O-C 3.51Å; Q112-L116 WeakPolarHBondContact O-CA 3.22Å; Q112-L116 VanDerWaalsContact O-CB 3.3Å; Q112-L116 WeakPolarHBondContact O-CB 3.37Å; Q112-L116 PolarHBondContact O-N 2.81Å; Q112-L116 VanDerWaalsContact O-N 3.13Å; L116-R118 HydrophobicContact CB-CG 4.48Å; L116-R118 PolarHBondContact O-N 2.82Å
117	G	96.5	Very high	97.7	Very high	69 Å²	69	38 Å²	38	71%	0.711	19%	0.193	S	C	*	.			trans	66.5	14.8	175.7	0	0	0	0	0	115.5	Q112 I113	Q112-G117 PolarHBondContact O-N 3.45Å; I113-G117 PolarHBondContact O-N 2.62Å
118	R	97.6	Very high	97.5	Very high	51 Å²	51	39.8 Å²	39.8	19%	0.192	20%	0.203	C	C	.	.			trans	-74.1	150.6	-177.5	-72.6	-170	176.6	143.4	9.3	112.5	I23 Q112 L116 E122 A123 H126	I23-R118 PolarHBondContact O-NH1 3.25Å; I23-R118 PolarHBondContact O-NH2 3.37Å; Q112-R118 HydrophobicContact CB-CB 4.35Å; Q112-R118 PolarHBondContact O-N 3.24Å; L116-R118 HydrophobicContact CB-CG 4.48Å; L116-R118 PolarHBondContact O-N 2.82Å; R118-E122 VanDerWaalsContact CA-OE2 3.3Å; R118-E122 WeakPolarHBondContact CA-OE2 3.14Å; R118-E122 HydrophobicContact CB-CB 4.13Å; R118-E122 HydrophobicContact CG-CB 4.44Å; R118-A123 HydrophobicContact CB-CB 4.44Å; R118-H126 PolarHBondContact NH1-CD2 3.32Å
119	T	98.4	Very high	97	Very high	56 Å²	56	44.4 Å²	44.4	34%	0.344	23%	0.228	S	C	.	.			trans	-69.9	159.4	168.4	90.7	0	0	0	0	111.1	E121 E122 A123	T119-E121 WeakPolarHBondContact CB-OE2 3.2Å; T119-E121 PolarHBondContact O-N 3.05Å; T119-E121 PolarHBondContact OG1-N 3.39Å; T119-E121 PolarHBondContact OG1-OE2 3.28Å; T119-E122 HydrophobicContact CG2-CG 4.3Å; T119-E122 PolarHBondContact N-OE2 3.49Å; T119-E122 PolarHBondContact O-N 2.97Å; T119-E122 PolarHBondContact OG1-N 3.01Å; T119-A123 VanDerWaalsContact O-CB 3.31Å; T119-A123 WeakPolarHBondContact O-CB 3.38Å; T119-A123 PolarHBondContact O-N 2.85Å
120	P	98.5	Very high	96.3	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	25%	0.25	C	C	.	.	H	α-helix	trans	-52.7	-39.5	172.1	-30.5	39	0	0	0	113.9	I113 Y124 L153 L156 F157 N160	I113-P120 HydrophobicContact CD1-CB 4.46Å; I113-P120 HydrophobicContact CD1-CG 4.22Å; P120-Y124 WeakPolarHBondContact O-CB 3.31Å; P120-Y124 PolarHBondContact O-N 3.06Å; P120-L153 HydrophobicContact CB-CD1 3.93Å; P120-L156 HydrophobicContact CB-CB 3.93Å; P120-F157 HydrophobicContact CB-CD1 3.81Å; P120-F157 HydrophobicContact CB-CD2 4.46Å; P120-F157 HydrophobicContact CB-CE1 3.96Å; P120-F157 HydrophobicContact CB-CG 4.05Å; P120-F157 HydrophobicContact CB-CZ 4.36Å; P120-F157 HydrophobicContact CG-CD1 3.63Å; P120-F157 HydrophobicContact CG-CE1 3.99Å; P120-F157 HydrophobicContact CG-CG 4.18Å; P120-N160 WeakPolarHBondContact CD-ND2 3.24Å; P120-N160 HydrophobicContact CG-CB 3.57Å
121	E	98.1	Very high	95.7	Very high	93 Å²	93	49.9 Å²	49.9	44%	0.435	26%	0.257	S	S	.	.	H	α-helix	trans	-70.6	-42.3	-179.6	-52	89.6	156.7	0	0	111.7	T119 K125 F157	T119-E121 WeakPolarHBondContact CB-OE2 3.2Å; T119-E121 PolarHBondContact O-N 3.05Å; T119-E121 PolarHBondContact OG1-N 3.39Å; T119-E121 PolarHBondContact OG1-OE2 3.28Å; E121-K125 VanDerWaalsContact O-CB 3.22Å; E121-K125 WeakPolarHBondContact O-CB 3.33Å; E121-K125 PolarHBondContact O-N 3.38Å; E121-F157 HydrophobicContact CG-CZ 4Å; E121-F157 VanDerWaalsContact OE1-CE1 3.28Å; E121-F157 WeakPolarHBondContact OE1-CE1 3.29Å; E121-F157 WeakPolarHBondContact OE1-CZ 3.46Å
122	E	97.6	Very high	94.9	Very high	91 Å²	91	56.7 Å²	56.7	43%	0.425	29%	0.293	S	S	.	.	H	α-helix	trans	-63.2	-48.7	172.3	-68	-179.5	138.5	0	0	111.4	R118 T119 Y124 K125 H126	R118-E122 VanDerWaalsContact CA-OE2 3.3Å; R118-E122 WeakPolarHBondContact CA-OE2 3.14Å; R118-E122 HydrophobicContact CB-CB 4.13Å; R118-E122 HydrophobicContact CG-CB 4.44Å; T119-E122 HydrophobicContact CG2-CG 4.3Å; T119-E122 PolarHBondContact N-OE2 3.49Å; T119-E122 PolarHBondContact O-N 2.97Å; T119-E122 PolarHBondContact OG1-N 3.01Å; E122-Y124 VanDerWaalsContact C-N 3.28Å; E122-Y124 PolarHBondContact O-N 3.21Å; E122-K125 PolarHBondContact O-N 2.7Å; E122-H126 PolarHBondContact O-CD2 3.49Å; E122-H126 PolarHBondContact O-N 3.32Å
123	A	98.1	Very high	94.6	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.9	-37.7	179.6	0	0	0	0	0	111.8	Q112 I113 R118 T119 L127	Q112-A123 HydrophobicContact CB-CB 3.82Å; Q112-A123 PolarHBondContact NE2-O 3.32Å; I113-A123 HydrophobicContact CG1-CB 4.08Å; R118-A123 HydrophobicContact CB-CB 4.44Å; T119-A123 VanDerWaalsContact O-CB 3.31Å; T119-A123 WeakPolarHBondContact O-CB 3.38Å; T119-A123 PolarHBondContact O-N 2.85Å; A123-L127 WeakPolarHBondContact O-CD1 3.4Å; A123-L127 VanDerWaalsContact O-CG 3.3Å; A123-L127 WeakPolarHBondContact O-CG 3.43Å
124	Y	97.5	Very high	94.3	Very high	73 Å²	73	65.6 Å²	65.6	29%	0.286	34%	0.34	S	S	.	.	H	α-helix	trans	-69.3	-48.1	173.2	-175.9	-97.1	0	0	0	112	P120 E122 H126 L127 T128 F135 L152 L153 L156	P120-Y124 WeakPolarHBondContact O-CB 3.31Å; P120-Y124 PolarHBondContact O-N 3.06Å; E122-Y124 VanDerWaalsContact C-N 3.28Å; E122-Y124 PolarHBondContact O-N 3.21Å; Y124-H126 VanDerWaalsContact C-N 3.32Å; Y124-H126 PolarHBondContact O-N 2.97Å; Y124-L127 WeakPolarHBondContact O-CA 3.47Å; Y124-L127 WeakPolarHBondContact O-CB 3.45Å; Y124-L127 PolarHBondContact O-N 3.04Å; Y124-T128 HydrophobicContact CD1-CG2 4.28Å; Y124-T128 HydrophobicContact CE1-CG2 3.76Å; Y124-T128 HydrophobicContact CE2-CG2 4.35Å; Y124-T128 PolarHBondContact O-N 2.83Å; Y124-F135 HydrophobicContact CE2-CD2 4.14Å; Y124-F135 HydrophobicContact CE2-CE2 4.47Å; Y124-L152 HydrophobicContact CD2-CB 4.37Å; Y124-L152 HydrophobicContact CD2-CD2 3.87Å; Y124-L152 HydrophobicContact CD2-CG 4.03Å; Y124-L152 HydrophobicContact CE2-CB 4.12Å; Y124-L152 HydrophobicContact CE2-CD2 3.95Å; Y124-L152 HydrophobicContact CE2-CG 4.21Å; Y124-L153 HydrophobicContact CD2-CB 4.2Å; Y124-L153 HydrophobicContact CG-CD1 4.39Å; Y124-L156 HydrophobicContact CD2-CD1 4.43Å
125	K	96	Very high	94.3	Very high	129 Å²	129	64.9 Å²	64.9	56%	0.561	34%	0.336	S	S	*	.	H	α-helix	trans	-54.6	-46	177.8	179.2	179.3	179.2	-179.4	0	111.6	E121 E122 L127 T128 L129	E121-K125 VanDerWaalsContact O-CB 3.22Å; E121-K125 WeakPolarHBondContact O-CB 3.33Å; E121-K125 PolarHBondContact O-N 3.38Å; E122-K125 PolarHBondContact O-N 2.7Å; K125-L127 PolarHBondContact O-N 3.36Å; K125-L127 VanDerWaalsContact O-N 3.15Å; K125-T128 PolarHBondContact O-N 2.99Å; K125-T128 VanDerWaalsContact O-N 3.12Å; K125-T128 PolarHBondContact O-OG1 2.91Å; K125-L129 HydrophobicContact CG-CD1 4.47Å; K125-L129 HydrophobicContact CG-CG 4.22Å; K125-L129 WeakPolarHBondContact O-CG 3.41Å; K125-L129 PolarHBondContact O-N 3.48Å
126	H	94.6	Very high	94.3	Very high	51 Å²	51	64.3 Å²	64.3	24%	0.236	34%	0.338	C	S	.	.	H	α-helix	trans	-56.8	-28.7	175.6	-90	-81	0	0	0	113.6	S21 C22 I23 R118 E122 Y124	S21-H126 WeakPolarHBondContact CB-O 3.46Å; S21-H126 PolarHBondContact OG-O 2.78Å; C22-H126 PolarHBondContact O-ND1 3.35Å; I23-H126 HydrophobicContact CD1-CB 4.18Å; R118-H126 PolarHBondContact NH1-CD2 3.32Å; E122-H126 PolarHBondContact O-CD2 3.49Å; E122-H126 PolarHBondContact O-N 3.32Å; Y124-H126 VanDerWaalsContact C-N 3.32Å; Y124-H126 PolarHBondContact O-N 2.97Å
127	L	95.7	Very high	94.3	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-88.2	-15.5	-179.8	-61.4	168.6	0	0	0	114	I23 F30 A105 I108 A123 Y124 K125 F135 L152	I23-L127 HydrophobicContact CD1-CD2 3.85Å; F30-L127 HydrophobicContact CB-CD2 4.32Å; F30-L127 HydrophobicContact CD1-CD2 3.46Å; F30-L127 VanDerWaalsContact CD1-CD2 3.46Å; F30-L127 HydrophobicContact CE1-CD2 3.98Å; F30-L127 HydrophobicContact CG-CD2 4.04Å; A105-L127 HydrophobicContact CB-CD1 4.32Å; A105-L127 WeakPolarHBondContact O-CD1 3.47Å; I108-L127 HydrophobicContact CG2-CD1 4.31Å; I108-L127 HydrophobicContact CG2-CD2 3.53Å; A123-L127 WeakPolarHBondContact O-CD1 3.4Å; A123-L127 VanDerWaalsContact O-CG 3.3Å; A123-L127 WeakPolarHBondContact O-CG 3.43Å; Y124-L127 WeakPolarHBondContact O-CA 3.47Å; Y124-L127 WeakPolarHBondContact O-CB 3.45Å; Y124-L127 PolarHBondContact O-N 3.04Å; K125-L127 PolarHBondContact O-N 3.36Å; K125-L127 VanDerWaalsContact O-N 3.15Å; L127-F135 HydrophobicContact CB-CE2 4.25Å; L127-F135 HydrophobicContact CB-CZ 4.09Å; L127-L152 HydrophobicContact CD1-CD2 4.39Å
128	T	93.3	Very high	94.4	Very high	36 Å²	36	60.4 Å²	60.4	22%	0.221	30%	0.304	C	S	.	.	H	α-helix	trans	-107.2	-16.6	178	60.3	0	0	0	0	114.1	Y124 K125 N130 D131 N132 F135	Y124-T128 HydrophobicContact CD1-CG2 4.28Å; Y124-T128 HydrophobicContact CE1-CG2 3.76Å; Y124-T128 HydrophobicContact CE2-CG2 4.35Å; Y124-T128 PolarHBondContact O-N 2.83Å; K125-T128 PolarHBondContact O-N 2.99Å; K125-T128 VanDerWaalsContact O-N 3.12Å; K125-T128 PolarHBondContact O-OG1 2.91Å; T128-N130 VanDerWaalsContact C-N 3.27Å; T128-N130 PolarHBondContact O-N 3.23Å; T128-N130 VanDerWaalsContact O-N 3.16Å; T128-D131 CarbonylContact O-C 3.41Å; T128-D131 PolarHBondContact O-N 3.1Å; T128-N132 PolarHBondContact O-OD1 3.27Å; T128-F135 HydrophobicContact CG2-CE2 3.88Å
129	L	88.2	Confident	94.4	Very high	98 Å²	98	60 Å²	60	51%	0.513	30%	0.302	S	S	.	.	S	Bend	trans	-51	-40.7	-175.5	-88.9	170.4	0	0	0	114.6	K125	K125-L129 HydrophobicContact CG-CD1 4.47Å; K125-L129 HydrophobicContact CG-CG 4.22Å; K125-L129 WeakPolarHBondContact O-CG 3.41Å; K125-L129 PolarHBondContact O-N 3.48Å
130	N	85.4	Confident	94.4	Very high	86 Å²	86	57.3 Å²	57.3	46%	0.46	29%	0.286	S	S	.	.	S	Bend	trans	-112.1	-7.3	-175.5	-67.4	-0.7	0	0	0	113.3	A20 T128	A20-N130 PolarHBondContact O-ND2 3.08Å; T128-N130 VanDerWaalsContact C-N 3.27Å; T128-N130 PolarHBondContact O-N 3.23Å; T128-N130 VanDerWaalsContact O-N 3.16Å
131	D	84.7	Confident	94.3	Very high	28 Å²	28	57.4 Å²	57.4	15%	0.15	29%	0.287	C	S	.	.			trans	-137.3	91.1	178.1	-169.7	-4.6	0	0	0	110	T128 R133	T128-D131 CarbonylContact O-C 3.41Å; T128-D131 PolarHBondContact O-N 3.1Å; D131-R133 PolarHBondContact O-N 3.35Å; D131-R133 VanDerWaalsContact O-N 3.1Å; D131-R133 VanDerWaalsContact OD1-CB 3.29Å; D131-R133 WeakPolarHBondContact OD1-CB 3.5Å; D131-R133 VanDerWaalsContact OD1-CG 3.29Å; D131-R133 WeakPolarHBondContact OD1-CG 3.47Å; D131-R133 IonicContact OD1-CZ 2.65Å; D131-R133 PolarHBondContact OD1-N 2.98Å; D131-R133 IonicContact OD1-NE 2.86Å; D131-R133 PolarHBondContact OD1-NE 2.97Å; D131-R133 IonicContact OD1-NH2 3.61Å; D131-R133 IonicContact OD2-CZ 2.6Å; D131-R133 IonicContact OD2-NE 3.53Å; D131-R133 PolarHBondContact OD2-NE 3.15Å; D131-R133 IonicContact OD2-NH2 2.62Å; D131-R133 PolarHBondContact OD2-NH2 3.23Å
132	N	83.3	Confident	94	Very high	145 Å²	145	53.5 Å²	53.5	78%	0.775	27%	0.27	S	S	*	.			trans	-71.1	2	-178.9	-68.7	-20.6	0	0	0	113.8	T128 P134	T128-N132 PolarHBondContact O-OD1 3.27Å; N132-P134 WeakPolarHBondContact O-CD 3.38Å
133	R	90.5	Very high	93.6	Very high	87 Å²	87	52.7 Å²	52.7	33%	0.328	27%	0.265	S	S	.	.	S	Bend	trans	-72.8	117.8	-179.9	-65.9	177.7	-66.9	-179.2	-3.9	110	D131 F135	D131-R133 PolarHBondContact O-N 3.35Å; D131-R133 VanDerWaalsContact O-N 3.1Å; D131-R133 VanDerWaalsContact OD1-CB 3.29Å; D131-R133 WeakPolarHBondContact OD1-CB 3.5Å; D131-R133 VanDerWaalsContact OD1-CG 3.29Å; D131-R133 WeakPolarHBondContact OD1-CG 3.47Å; D131-R133 IonicContact OD1-CZ 2.65Å; D131-R133 PolarHBondContact OD1-N 2.98Å; D131-R133 IonicContact OD1-NE 2.86Å; D131-R133 PolarHBondContact OD1-NE 2.97Å; D131-R133 IonicContact OD1-NH2 3.61Å; D131-R133 IonicContact OD2-CZ 2.6Å; D131-R133 IonicContact OD2-NE 3.53Å; D131-R133 PolarHBondContact OD2-NE 3.15Å; D131-R133 IonicContact OD2-NH2 2.62Å; D131-R133 PolarHBondContact OD2-NH2 3.23Å; R133-F135 PolarHBondContact O-N 2.86Å
134	P	93.6	Very high	93.2	Very high	105 Å²	105	54.7 Å²	54.7	68%	0.682	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-58.3	142.9	-175.3	23.3	-33.7	0	0	0	112.1	R101 N132	R101-P134 PolarHBondContact NH2-O 3.39Å; N132-P134 WeakPolarHBondContact O-CD 3.38Å
135	F	97.3	Very high	92.8	Very high	15 Å²	15	55.4 Å²	55.4	7%	0.066	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-73.2	137.5	170.1	-59.8	-73.7	0	0	0	109.4	R101 A102 A105 Y124 L127 T128 R133 P137 L152	R101-F135 HydrophobicContact CG-CD1 3.99Å; R101-F135 HydrophobicContact CG-CE1 3.84Å; A102-F135 HydrophobicContact CB-CB 4.28Å; A105-F135 HydrophobicContact CB-CD1 3.67Å; A105-F135 HydrophobicContact CB-CE1 3.32Å; A105-F135 HydrophobicContact CB-CE2 4.45Å; A105-F135 HydrophobicContact CB-CG 4.4Å; A105-F135 HydrophobicContact CB-CZ 3.77Å; Y124-F135 HydrophobicContact CE2-CD2 4.14Å; Y124-F135 HydrophobicContact CE2-CE2 4.47Å; L127-F135 HydrophobicContact CB-CE2 4.25Å; L127-F135 HydrophobicContact CB-CZ 4.09Å; T128-F135 HydrophobicContact CG2-CE2 3.88Å; R133-F135 PolarHBondContact O-N 2.86Å; F135-P137 VanDerWaalsContact O-CD 3.29Å; F135-P137 WeakPolarHBondContact O-CD 3.34Å; F135-L152 HydrophobicContact CB-CB 4.36Å; F135-L152 HydrophobicContact CB-CD2 4.4Å; F135-L152 HydrophobicContact CD1-CD2 4.41Å; F135-L152 HydrophobicContact CD2-CD2 3.43Å; F135-L152 VanDerWaalsContact CD2-CD2 3.43Å; F135-L152 HydrophobicContact CE2-CD2 3.72Å; F135-L152 HydrophobicContact CG-CD2 3.81Å; F135-L152 HydrophobicContact CZ-CD2 4.35Å
136	L	97.7	Very high	92.7	Very high	72 Å²	72	50.1 Å²	50.1	38%	0.377	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-65.2	123.2	179.1	-177.8	66.8	0	0	0	109.7	F61 R99	F61-L136 HydrophobicContact CD1-CD2 4.36Å; F61-L136 HydrophobicContact CE1-CD2 3.67Å; F61-L136 HydrophobicContact CE1-CG 3.98Å; F61-L136 HydrophobicContact CE2-CD2 4.3Å; F61-L136 HydrophobicContact CZ-CB 4.09Å; F61-L136 HydrophobicContact CZ-CD2 3.64Å; F61-L136 HydrophobicContact CZ-CG 3.68Å; R99-L136 HydrophobicContact CG-CD2 3.64Å
137	P	98.4	Very high	92.7	Very high	49 Å²	49	52.1 Å²	52.1	32%	0.318	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-62.8	139.4	177.8	-27.3	38.4	0	0	0	112.9	F61 F135 R139 H149 L150	F61-P137 WeakPolarHBondContact CE1-O 3.08Å; F61-P137 WeakPolarHBondContact CZ-O 3.45Å; F135-P137 VanDerWaalsContact O-CD 3.29Å; F135-P137 WeakPolarHBondContact O-CD 3.34Å; P137-R139 PolarHBondContact O-N 2.61Å; P137-H149 HydrophobicContact CB-CB 3.72Å; P137-L150 CarbonylContact C-O 3.52Å; P137-L150 VanDerWaalsContact CA-O 3.27Å; P137-L150 WeakPolarHBondContact CA-O 3.3Å; P137-L150 WeakPolarHBondContact CB-O 3.44Å
138	F	98.6	Very high	92.8	Very high	1 Å²	1	52.4 Å²	52.4	0%	0.004	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-72.1	120.7	179	-55.7	-69.7	0	0	0	110.7	F61 P63 A102 N103 F106 L150 C155	F61-F138 HydrophobicContact CD2-CD1 4.1Å; F61-F138 HydrophobicContact CD2-CE1 4.29Å; F61-F138 AromaticContact CE2-CD1 3.44Å; F61-F138 HydrophobicContact CE2-CD1 3.44Å; F61-F138 VanDerWaalsContact CE2-CD1 3.44Å; F61-F138 AromaticContact CE2-CE1 3.65Å; F61-F138 HydrophobicContact CE2-CE1 3.65Å; F61-F138 AromaticContact CZ-CD1 3.76Å; F61-F138 HydrophobicContact CZ-CD1 3.76Å; F61-F138 HydrophobicContact CZ-CE1 4.35Å; F61-F138 HydrophobicContact CZ-CG 4.49Å; P63-F138 HydrophobicContact CB-CE1 4.36Å; P63-F138 HydrophobicContact CB-CE2 4.26Å; P63-F138 HydrophobicContact CB-CZ 4.16Å; A102-F138 HydrophobicContact CB-CE1 4.13Å; A102-F138 HydrophobicContact CB-CZ 4.21Å; N103-F138 WeakPolarHBondContact OD1-CE1 3.44Å; F106-F138 HydrophobicContact CB-CZ 4.16Å; F138-L150 HydrophobicContact CB-CB 4.4Å; F138-L150 PolarHBondContact N-O 2.91Å; F138-L150 PolarHBondContact O-N 2.91Å; F138-C155 VanDerWaalsContact CD2-SG 3.59Å; F138-C155 HydrophobicContact CE2-CB 4.44Å
139	R	97.7	Very high	93	Very high	42 Å²	42	54.7 Å²	54.7	16%	0.158	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-92	170.1	174.8	65.3	167.2	-74.6	161.2	1.8	112.4	A59 F61 P137 S142 G144	A59-R139 WeakPolarHBondContact O-CD 3.44Å; F61-R139 HydrophobicContact CD1-CG 4.43Å; F61-R139 HydrophobicContact CE1-CG 4.42Å; P137-R139 PolarHBondContact O-N 2.61Å; R139-S142 PolarHBondContact NH2-O 3.15Å; R139-G144 PolarHBondContact NH1-O 3.03Å; R139-G144 PolarHBondContact NH2-O 3.34Å
140	D	97.3	Very high	93.5	Very high	1 Å²	1	50 Å²	50	1%	0.005	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-88.4	170.5	176.6	80.3	-59.1	0	0	0	114.4	S142 S146 G327	D140-S142 VanDerWaalsContact C-N 3.29Å; D140-S142 PolarHBondContact O-N 2.86Å; D140-S142 PolarHBondContact OD1-OG 3.33Å; D140-S142 WeakPolarHBondContact OD2-CB 3.42Å; D140-S142 PolarHBondContact OD2-N 2.92Å; D140-S142 PolarHBondContact OD2-OG 2.99Å; D140-S146 PolarHBondContact OD1-OG 3.21Å; D140-G327 PolarHBondContact OD2-N 3.12Å
141	A	96.2	Very high	94.1	Very high	2 Å²	2	48.8 Å²	48.8	2%	0.017	28%	0.283	C	S	.	.	S	Bend	trans	-81.9	10.3	-178.1	0	0	0	0	0	114.9	F57 D60 L1091	F57-A141 HydrophobicContact CB-CB 3.81Å; F57-A141 HydrophobicContact CG-CB 4.31Å; D60-A141 HydrophobicContact CB-CB 4.45Å; A141-L1091 HydrophobicContact CB-CD1 4.31Å
142	S	93.3	Very high	94.8	Very high	12 Å²	12	47.7 Å²	47.7	8%	0.084	28%	0.277	C	S	.	.			trans	-69	154.3	175	59.7	0	0	0	0	113.1	Y58 R139 D140	Y58-S142 VanDerWaalsContact CD1-O 3.24Å; Y58-S142 WeakPolarHBondContact CD1-O 3.28Å; R139-S142 PolarHBondContact NH2-O 3.15Å; D140-S142 VanDerWaalsContact C-N 3.29Å; D140-S142 PolarHBondContact O-N 2.86Å; D140-S142 PolarHBondContact OD1-OG 3.33Å; D140-S142 WeakPolarHBondContact OD2-CB 3.42Å; D140-S142 PolarHBondContact OD2-N 2.92Å; D140-S142 PolarHBondContact OD2-OG 2.99Å
143	F	89	Confident	95.5	Very high	73 Å²	73	42.9 Å²	42.9	32%	0.32	25%	0.251	S	S	.	.	S	Bend	trans	-74.4	138.1	169.2	-61.8	-77.5	0	0	0	110.8	Y58 L1091 H1092 M1095	Y58-F143 HydrophobicContact CD1-CD1 4.34Å; Y58-F143 AromaticContact CD2-CD1 3.54Å; Y58-F143 HydrophobicContact CD2-CD1 3.54Å; Y58-F143 AromaticContact CD2-CE1 3.64Å; Y58-F143 HydrophobicContact CD2-CE1 3.64Å; Y58-F143 HydrophobicContact CE1-CD1 4.4Å; Y58-F143 AromaticContact CE2-CD1 3.6Å; Y58-F143 HydrophobicContact CE2-CD1 3.6Å; Y58-F143 AromaticContact CE2-CE1 4Å; Y58-F143 HydrophobicContact CE2-CE1 4Å; Y58-F143 AromaticContact CG-CD1 3.94Å; Y58-F143 HydrophobicContact CG-CD1 3.94Å; Y58-F143 HydrophobicContact CG-CE1 4.22Å; F143-L1091 HydrophobicContact CE2-CB 4.15Å; F143-L1091 HydrophobicContact CZ-CB 4.36Å; F143-H1092 HydrophobicContact CZ-CB 4.11Å; F143-M1095 HydrophobicContact CD2-CB 4.38Å; F143-M1095 HydrophobicContact CD2-CG 4.1Å; F143-M1095 HydrophobicContact CD2-SD 3.81Å; F143-M1095 HydrophobicContact CE2-CG 4.36Å
144	G	89	Confident	95.9	Very high	43 Å²	43	39.8 Å²	39.8	44%	0.443	24%	0.241	S	C	.	.	S	Bend	trans	97	-153.4	176.7	0	0	0	0	0	114.4	R139	R139-G144 PolarHBondContact NH1-O 3.03Å; R139-G144 PolarHBondContact NH2-O 3.34Å
145	A	89.1	Confident	96.1	Very high	88 Å²	88	34.8 Å²	34.8	73%	0.727	21%	0.208	S	C	*	.	S	Bend	trans	-72.9	138.1	175	0	0	0	0	0	110.3
146	S	93.6	Very high	96.2	Very high	17 Å²	17	34.1 Å²	34.1	12%	0.119	21%	0.205	C	C	.	.			trans	-87.5	131	174.4	-166.4	0	0	0	0	109.7	D140 Y148 H149	D140-S146 PolarHBondContact OD1-OG 3.21Å; S146-Y148 PolarHBondContact OG-O 3.17Å; S146-Y148 VanDerWaalsContact OG-O 3.08Å; S146-H149 PolarHBondContact O-CE1 3.18Å
147	T	95.9	Very high	96.3	Very high	94 Å²	94	33.1 Å²	33.1	58%	0.577	20%	0.198	S	C	*	.	S	Bend	trans	-98.7	3.1	180	61.6	0	0	0	0	112.8	H331	T147-H331 PolarHBondContact O-CE1 3.1Å; T147-H331 PolarHBondContact O-NE2 3.22Å; T147-H331 PolarHBondContact OG1-NE2 3.03Å; T147-H331 VanDerWaalsContact OG1-NE2 3.11Å
148	Y	97.7	Very high	96.3	Very high	7 Å²	7	30.8 Å²	30.8	3%	0.027	18%	0.183	C	C	.	.			trans	-149.4	134.8	-176.2	-166.4	-79.5	0	0	0	109.8	S146 L150 R311 I314 Q330 H331 D334	S146-Y148 PolarHBondContact OG-O 3.17Å; S146-Y148 VanDerWaalsContact OG-O 3.08Å; Y148-L150 HydrophobicContact CE1-CD2 3.99Å; Y148-R311 VanDerWaalsContact OH-CG 3.31Å; Y148-R311 WeakPolarHBondContact OH-CG 3.39Å; Y148-I314 HydrophobicContact CE1-CD1 3.7Å; Y148-Q330 HydrophobicContact CD1-CB 3.76Å; Y148-Q330 HydrophobicContact CD1-CG 4.21Å; Y148-Q330 HydrophobicContact CD2-CB 3.71Å; Y148-Q330 HydrophobicContact CE1-CB 4.14Å; Y148-Q330 HydrophobicContact CE2-CB 4.06Å; Y148-Q330 HydrophobicContact CG-CB 3.53Å; Y148-Q330 HydrophobicContact CG-CG 4.29Å; Y148-H331 AromaticContact CD2-CE1 3.86Å; Y148-H331 AromaticContact CD2-ND1 3.97Å; Y148-H331 AromaticContact CD2-NE2 3.92Å; Y148-D334 WeakPolarHBondContact CE2-OD1 3.49Å; Y148-D334 WeakPolarHBondContact CE2-OD2 3.42Å; Y148-D334 PolarHBondContact OH-OD1 3.26Å; Y148-D334 PolarHBondContact OH-OD2 2.98Å
149	H	97.4	Very high	96.3	Very high	84 Å²	84	30.7 Å²	30.7	39%	0.389	18%	0.183	S	C	.	.			trans	-135	137.5	-174.9	-63.6	96.2	0	0	0	110.7	P137 S146 R311	P137-H149 HydrophobicContact CB-CB 3.72Å; S146-H149 PolarHBondContact O-CE1 3.18Å; H149-R311 PolarHBondContact O-NH1 3.13Å
150	L	98.4	Very high	96.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-94.4	133.9	168	-65.5	-179.7	0	0	0	109.8	P137 F138 Y148 D154 R311 I314	P137-L150 CarbonylContact C-O 3.52Å; P137-L150 VanDerWaalsContact CA-O 3.27Å; P137-L150 WeakPolarHBondContact CA-O 3.3Å; P137-L150 WeakPolarHBondContact CB-O 3.44Å; F138-L150 HydrophobicContact CB-CB 4.4Å; F138-L150 PolarHBondContact N-O 2.91Å; F138-L150 PolarHBondContact O-N 2.91Å; Y148-L150 HydrophobicContact CE1-CD2 3.99Å; L150-D154 HydrophobicContact CB-CB 4.25Å; L150-D154 HydrophobicContact CD2-CB 4.09Å; L150-R311 HydrophobicContact CD2-CB 4Å; L150-R311 HydrophobicContact CD2-CG 4.09Å; L150-I314 HydrophobicContact CD1-CB 4.08Å; L150-I314 HydrophobicContact CD1-CG2 3.8Å; L150-I314 HydrophobicContact CD2-CB 4.37Å; L150-I314 HydrophobicContact CG-CG2 4.39Å
151	T	98.4	Very high	96.4	Very high	60 Å²	60	33.5 Å²	33.5	37%	0.368	20%	0.198	S	C	.	.			trans	-73.8	166.7	170.3	63.3	0	0	0	0	110.9	L153 D154 C155	T151-L153 PolarHBondContact O-N 3.25Å; T151-L153 PolarHBondContact OG1-N 2.83Å; T151-D154 PolarHBondContact N-OD2 3.04Å; T151-D154 PolarHBondContact O-N 3.37Å; T151-D154 PolarHBondContact OG1-N 2.89Å; T151-D154 PolarHBondContact OG1-OD2 3.17Å; T151-C155 PolarHBondContact O-N 3.01Å
152	L	98.5	Very high	96.5	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.026	20%	0.197	C	C	.	.	H	α-helix	trans	-56.2	-42.9	166.1	170.7	60	0	0	0	110.6	A105 F106 Y124 L127 F135 D154 C155 L156	A105-L152 HydrophobicContact CB-CD2 3.81Å; F106-L152 VanDerWaalsContact CA-CD1 3.46Å; F106-L152 HydrophobicContact CB-CD1 3.78Å; Y124-L152 HydrophobicContact CD2-CB 4.37Å; Y124-L152 HydrophobicContact CD2-CD2 3.87Å; Y124-L152 HydrophobicContact CD2-CG 4.03Å; Y124-L152 HydrophobicContact CE2-CB 4.12Å; Y124-L152 HydrophobicContact CE2-CD2 3.95Å; Y124-L152 HydrophobicContact CE2-CG 4.21Å; L127-L152 HydrophobicContact CD1-CD2 4.39Å; F135-L152 HydrophobicContact CB-CB 4.36Å; F135-L152 HydrophobicContact CB-CD2 4.4Å; F135-L152 HydrophobicContact CD1-CD2 4.41Å; F135-L152 HydrophobicContact CD2-CD2 3.43Å; F135-L152 VanDerWaalsContact CD2-CD2 3.43Å; F135-L152 HydrophobicContact CE2-CD2 3.72Å; F135-L152 HydrophobicContact CG-CD2 3.81Å; F135-L152 HydrophobicContact CZ-CD2 4.35Å; L152-D154 PolarHBondContact O-N 3.24Å; L152-C155 PolarHBondContact O-N 2.94Å; L152-C155 VanDerWaalsContact O-N 3.15Å; L152-L156 HydrophobicContact CD1-CD1 4.33Å; L152-L156 HydrophobicContact CD1-CG 4.2Å; L152-L156 HydrophobicContact CG-CD1 4.12Å; L152-L156 HydrophobicContact CG-CG 4.41Å; L152-L156 WeakPolarHBondContact O-CG 3.21Å; L152-L156 PolarHBondContact O-N 2.86Å
153	L	98.3	Very high	96.7	Very high	44 Å²	44	35.8 Å²	35.8	23%	0.23	21%	0.208	C	C	.	.	H	α-helix	trans	-64.2	-38.3	-178.7	-176.1	59.5	0	0	0	112.7	P120 Y124 T151 C155 L156 F157	P120-L153 HydrophobicContact CB-CD1 3.93Å; Y124-L153 HydrophobicContact CD2-CB 4.2Å; Y124-L153 HydrophobicContact CG-CD1 4.39Å; T151-L153 PolarHBondContact O-N 3.25Å; T151-L153 PolarHBondContact OG1-N 2.83Å; L153-C155 VanDerWaalsContact C-N 3.25Å; L153-C155 PolarHBondContact O-N 3.28Å; L153-L156 PolarHBondContact O-N 3.29Å; L153-L156 VanDerWaalsContact O-N 3.12Å; L153-F157 HydrophobicContact CD1-CD2 4.02Å; L153-F157 HydrophobicContact CD1-CE2 3.74Å; L153-F157 HydrophobicContact CD1-CZ 4.36Å; L153-F157 HydrophobicContact CD2-CE2 3.95Å; L153-F157 HydrophobicContact CG-CD2 3.81Å; L153-F157 HydrophobicContact CG-CE2 3.55Å; L153-F157 VanDerWaalsContact O-CD2 3.31Å; L153-F157 WeakPolarHBondContact O-CD2 3.38Å; L153-F157 PolarHBondContact O-N 3.3Å
154	D	98.7	Very high	97.1	Very high	22 Å²	22	38 Å²	38	12%	0.118	22%	0.222	C	C	.	.	H	α-helix	trans	-56.1	-40.8	172.6	-68.5	-44.9	0	0	0	111.7	L150 T151 L152 A158 R311	L150-D154 HydrophobicContact CB-CB 4.25Å; L150-D154 HydrophobicContact CD2-CB 4.09Å; T151-D154 PolarHBondContact N-OD2 3.04Å; T151-D154 PolarHBondContact O-N 3.37Å; T151-D154 PolarHBondContact OG1-N 2.89Å; T151-D154 PolarHBondContact OG1-OD2 3.17Å; L152-D154 PolarHBondContact O-N 3.24Å; D154-A158 WeakPolarHBondContact O-CB 3.45Å; D154-A158 PolarHBondContact O-N 2.6Å; D154-R311 HydrophobicContact CB-CB 4.27Å; D154-R311 WeakPolarHBondContact OD1-CD 3.46Å; D154-R311 IonicContact OD2-NH1 3.07Å; D154-R311 PolarHBondContact OD2-NH1 3.3Å
155	C	98.8	Very high	97.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-74.5	-31.1	178.2	-60.9	0	0	0	0	112.6	F106 F138 T151 L152 L153 A158 V159	F106-C155 HydrophobicContact CD2-CB 3.95Å; F106-C155 HydrophobicContact CE2-CB 4.06Å; F138-C155 VanDerWaalsContact CD2-SG 3.59Å; F138-C155 HydrophobicContact CE2-CB 4.44Å; T151-C155 PolarHBondContact O-N 3.01Å; L152-C155 PolarHBondContact O-N 2.94Å; L152-C155 VanDerWaalsContact O-N 3.15Å; L153-C155 VanDerWaalsContact C-N 3.25Å; L153-C155 PolarHBondContact O-N 3.28Å; C155-A158 WeakPolarHBondContact O-CB 3.4Å; C155-A158 PolarHBondContact O-N 3.4Å; C155-V159 WeakPolarHBondContact O-CG2 3.21Å; C155-V159 PolarHBondContact O-N 3.19Å; C155-V159 VanDerWaalsContact O-N 3.11Å
156	L	98.8	Very high	97.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-70.3	-42.1	173.8	-67.4	179.5	0	0	0	111.6	I113 P120 Y124 L152 L153 A158 V159 N160	I113-L156 HydrophobicContact CD1-CB 3.89Å; I113-L156 HydrophobicContact CD1-CD2 3.93Å; I113-L156 HydrophobicContact CD1-CG 4.44Å; I113-L156 WeakPolarHBondContact CD1-O 3.31Å; P120-L156 HydrophobicContact CB-CB 3.93Å; Y124-L156 HydrophobicContact CD2-CD1 4.43Å; L152-L156 HydrophobicContact CD1-CD1 4.33Å; L152-L156 HydrophobicContact CD1-CG 4.2Å; L152-L156 HydrophobicContact CG-CD1 4.12Å; L152-L156 HydrophobicContact CG-CG 4.41Å; L152-L156 WeakPolarHBondContact O-CG 3.21Å; L152-L156 PolarHBondContact O-N 2.86Å; L153-L156 PolarHBondContact O-N 3.29Å; L153-L156 VanDerWaalsContact O-N 3.12Å; L156-A158 VanDerWaalsContact C-N 3.33Å; L156-A158 PolarHBondContact O-N 3.49Å; L156-V159 PolarHBondContact O-N 3.12Å; L156-N160 PolarHBondContact O-N 3.07Å
157	F	98.8	Very high	98.1	Very high	51 Å²	51	42.6 Å²	42.6	22%	0.224	22%	0.215	C	C	.	.	H	α-helix	trans	-59.3	-43.7	169.7	-80.7	-62.9	0	0	0	111.6	P120 E121 L153 V159 N160 K161 E312	P120-F157 HydrophobicContact CB-CD1 3.81Å; P120-F157 HydrophobicContact CB-CD2 4.46Å; P120-F157 HydrophobicContact CB-CE1 3.96Å; P120-F157 HydrophobicContact CB-CG 4.05Å; P120-F157 HydrophobicContact CB-CZ 4.36Å; P120-F157 HydrophobicContact CG-CD1 3.63Å; P120-F157 HydrophobicContact CG-CE1 3.99Å; P120-F157 HydrophobicContact CG-CG 4.18Å; E121-F157 HydrophobicContact CG-CZ 4Å; E121-F157 VanDerWaalsContact OE1-CE1 3.28Å; E121-F157 WeakPolarHBondContact OE1-CE1 3.29Å; E121-F157 WeakPolarHBondContact OE1-CZ 3.46Å; L153-F157 HydrophobicContact CD1-CD2 4.02Å; L153-F157 HydrophobicContact CD1-CE2 3.74Å; L153-F157 HydrophobicContact CD1-CZ 4.36Å; L153-F157 HydrophobicContact CD2-CE2 3.95Å; L153-F157 HydrophobicContact CG-CD2 3.81Å; L153-F157 HydrophobicContact CG-CE2 3.55Å; L153-F157 VanDerWaalsContact O-CD2 3.31Å; L153-F157 WeakPolarHBondContact O-CD2 3.38Å; L153-F157 PolarHBondContact O-N 3.3Å; F157-V159 PolarHBondContact O-N 3.17Å; F157-N160 PolarHBondContact O-N 3.17Å; F157-K161 WeakPolarHBondContact O-CB 3.31Å; F157-K161 VanDerWaalsContact O-CG 3.32Å; F157-K161 WeakPolarHBondContact O-CG 3.22Å; F157-K161 PolarHBondContact O-N 3.29Å; F157-E312 HydrophobicContact CB-CG 3.74Å
158	A	98.8	Very high	98.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-56.4	-45	176.2	0	0	0	0	0	112.9	D154 C155 L156 A162 E312 W316	D154-A158 WeakPolarHBondContact O-CB 3.45Å; D154-A158 PolarHBondContact O-N 2.6Å; C155-A158 WeakPolarHBondContact O-CB 3.4Å; C155-A158 PolarHBondContact O-N 3.4Å; L156-A158 VanDerWaalsContact C-N 3.33Å; L156-A158 PolarHBondContact O-N 3.49Å; A158-A162 WeakPolarHBondContact O-CB 3.46Å; A158-A162 PolarHBondContact O-N 3.3Å; A158-E312 VanDerWaalsContact CB-O 3.27Å; A158-E312 WeakPolarHBondContact CB-O 3.15Å; A158-W316 HydrophobicContact CB-CB 4.16Å
159	V	98.8	Very high	98.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.2	-44.8	176.1	169	0	0	0	0	111.7	F106 I113 I114 C155 L156 F157 A162 L163 L168 I319	F106-V159 HydrophobicContact CE2-CG2 4.16Å; I113-V159 HydrophobicContact CG2-CG1 4.44Å; I114-V159 HydrophobicContact CD1-CG1 4.04Å; I114-V159 HydrophobicContact CG1-CG1 4.04Å; C155-V159 WeakPolarHBondContact O-CG2 3.21Å; C155-V159 PolarHBondContact O-N 3.19Å; C155-V159 VanDerWaalsContact O-N 3.11Å; L156-V159 PolarHBondContact O-N 3.12Å; F157-V159 PolarHBondContact O-N 3.17Å; V159-A162 PolarHBondContact O-N 3.08Å; V159-L163 PolarHBondContact O-N 2.68Å; V159-L168 HydrophobicContact CG1-CD2 3.87Å; V159-I319 HydrophobicContact CG2-CD1 3.77Å
160	N	98.6	Very high	98.1	Very high	37 Å²	37	38.1 Å²	38.1	20%	0.198	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-45.1	177.3	-176.3	35.1	0	0	0	112.1	I113 P120 L156 F157 A162 L163 L164	I113-N160 HydrophobicContact CG2-CB 4Å; P120-N160 WeakPolarHBondContact CD-ND2 3.24Å; P120-N160 HydrophobicContact CG-CB 3.57Å; L156-N160 PolarHBondContact O-N 3.07Å; F157-N160 PolarHBondContact O-N 3.17Å; N160-A162 VanDerWaalsContact C-N 3.31Å; N160-A162 PolarHBondContact O-N 3.15Å; N160-L163 PolarHBondContact O-N 3.06Å; N160-L164 WeakPolarHBondContact O-CB 3.41Å; N160-L164 VanDerWaalsContact O-CG 3.29Å; N160-L164 WeakPolarHBondContact O-CG 3.49Å; N160-L164 PolarHBondContact O-N 3.4Å
161	K	98.3	Very high	98	Very high	65 Å²	65	45.7 Å²	45.7	28%	0.283	23%	0.23	S	C	.	.	H	α-helix	trans	-60.8	-39.4	174.3	-68.9	-69.6	-171.5	179.7	0	112	F157 N165 L308 E312	F157-K161 WeakPolarHBondContact O-CB 3.31Å; F157-K161 VanDerWaalsContact O-CG 3.32Å; F157-K161 WeakPolarHBondContact O-CG 3.22Å; F157-K161 PolarHBondContact O-N 3.29Å; K161-N165 WeakPolarHBondContact O-CB 3.28Å; K161-N165 PolarHBondContact O-N 3Å; K161-N165 PolarHBondContact O-ND2 2.65Å; K161-L308 HydrophobicContact CB-CD1 4.14Å; K161-L308 HydrophobicContact CB-CD2 4.16Å; K161-L308 HydrophobicContact CB-CG 3.99Å; K161-L308 HydrophobicContact CD-CD1 4.42Å; K161-L308 HydrophobicContact CD-CG 4.45Å; K161-L308 HydrophobicContact CG-CD1 4.44Å; K161-L308 HydrophobicContact CG-CG 4.09Å; K161-E312 WeakPolarHBondContact CE-OE1 3.47Å; K161-E312 HydrophobicContact CG-CG 4.35Å; K161-E312 WeakPolarHBondContact CG-OE1 3.42Å; K161-E312 IonicContact NZ-OE1 2.79Å
162	A	98.5	Very high	97.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.6	-38.6	177.7	0	0	0	0	0	112.6	A158 V159 N160 K166 F167 L168 W316	A158-A162 WeakPolarHBondContact O-CB 3.46Å; A158-A162 PolarHBondContact O-N 3.3Å; V159-A162 PolarHBondContact O-N 3.08Å; N160-A162 VanDerWaalsContact C-N 3.31Å; N160-A162 PolarHBondContact O-N 3.15Å; A162-K166 PolarHBondContact O-N 3.18Å; A162-F167 HydrophobicContact CB-CB 4.16Å; A162-F167 HydrophobicContact CB-CD2 4.23Å; A162-F167 PolarHBondContact O-N 3.36Å; A162-L168 HydrophobicContact CB-CB 3.87Å; A162-L168 PolarHBondContact O-N 2.87Å; A162-L168 VanDerWaalsContact O-N 3.1Å; A162-W316 HydrophobicContact CB-CD2 3.62Å; A162-W316 HydrophobicContact CB-CE3 3.35Å; A162-W316 HydrophobicContact CB-CH2 3.6Å; A162-W316 HydrophobicContact CB-CZ2 3.84Å; A162-W316 HydrophobicContact CB-CZ3 3.34Å
163	L	97.7	Very high	97.8	Very high	61 Å²	61	49.7 Å²	49.7	32%	0.319	25%	0.251	S	S	.	.	H	α-helix	trans	-64.3	-51.5	173.7	-168.2	70.9	0	0	0	110.8	I113 V159 N160 N165 K166	I113-L163 HydrophobicContact CG2-CD2 4.42Å; V159-L163 PolarHBondContact O-N 2.68Å; N160-L163 PolarHBondContact O-N 3.06Å; L163-N165 VanDerWaalsContact C-N 3.3Å; L163-N165 PolarHBondContact O-N 3.3Å; L163-K166 PolarHBondContact O-N 3.05Å
164	L	97.4	Very high	97.8	Very high	119 Å²	119	51.2 Å²	51.2	62%	0.623	26%	0.26	S	S	*	.	H	α-helix	trans	-60.5	-34.7	-179.9	-70.8	169.5	0	0	0	113.5	N160	N160-L164 WeakPolarHBondContact O-CB 3.41Å; N160-L164 VanDerWaalsContact O-CG 3.29Å; N160-L164 WeakPolarHBondContact O-CG 3.49Å; N160-L164 PolarHBondContact O-N 3.4Å
165	N	97.5	Very high	97.7	Very high	54 Å²	54	51.9 Å²	51.9	29%	0.289	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	7.8	177.4	-66.9	-83	0	0	0	113.6	K161 L163 F167 Y306	K161-N165 WeakPolarHBondContact O-CB 3.28Å; K161-N165 PolarHBondContact O-N 3Å; K161-N165 PolarHBondContact O-ND2 2.65Å; L163-N165 VanDerWaalsContact C-N 3.3Å; L163-N165 PolarHBondContact O-N 3.3Å; N165-F167 HydrophobicContact CB-CD1 3.99Å; N165-F167 HydrophobicContact CB-CD2 4.25Å; N165-F167 HydrophobicContact CB-CE1 3.57Å; N165-F167 HydrophobicContact CB-CE2 3.83Å; N165-F167 HydrophobicContact CB-CG 4.31Å; N165-F167 HydrophobicContact CB-CZ 3.47Å; N165-F167 VanDerWaalsContact CB-CZ 3.47Å; N165-F167 WeakPolarHBondContact O-CD1 3.4Å; N165-F167 PolarHBondContact O-N 3.06Å; N165-Y306 HydrophobicContact CB-CD1 4.24Å; N165-Y306 WeakPolarHBondContact OD1-CD1 3.37Å
166	K	96.9	Very high	97.7	Very high	180 Å²	180	59.7 Å²	59.7	78%	0.783	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	31.9	-178.9	-53.1	-174.5	-179.8	-174.7	0	114.4	A162 L163	A162-K166 PolarHBondContact O-N 3.18Å; L163-K166 PolarHBondContact O-N 3.05Å
167	F	97.6	Very high	97.6	Very high	12 Å²	12	60.7 Å²	60.7	5%	0.053	30%	0.304	C	S	.	.	S	Bend	trans	-80.4	-26.2	165.5	-46.3	-26.9	0	0	0	111.4	A162 N165 I193 L302 Y306 W316	A162-F167 HydrophobicContact CB-CB 4.16Å; A162-F167 HydrophobicContact CB-CD2 4.23Å; A162-F167 PolarHBondContact O-N 3.36Å; N165-F167 HydrophobicContact CB-CD1 3.99Å; N165-F167 HydrophobicContact CB-CD2 4.25Å; N165-F167 HydrophobicContact CB-CE1 3.57Å; N165-F167 HydrophobicContact CB-CE2 3.83Å; N165-F167 HydrophobicContact CB-CG 4.31Å; N165-F167 HydrophobicContact CB-CZ 3.47Å; N165-F167 VanDerWaalsContact CB-CZ 3.47Å; N165-F167 WeakPolarHBondContact O-CD1 3.4Å; N165-F167 PolarHBondContact O-N 3.06Å; F167-I193 HydrophobicContact CD1-CG1 4.5Å; F167-I193 HydrophobicContact CD1-CG2 3.81Å; F167-I193 HydrophobicContact CE1-CD1 4.25Å; F167-I193 HydrophobicContact CE1-CG1 4.45Å; F167-I193 HydrophobicContact CE1-CG2 3.98Å; F167-I193 HydrophobicContact CZ-CD1 4.27Å; F167-L302 HydrophobicContact CD2-CD2 4.38Å; F167-L302 HydrophobicContact CE2-CD2 3.52Å; F167-L302 HydrophobicContact CZ-CD2 3.8Å; F167-Y306 HydrophobicContact CE1-CD1 4.07Å; F167-Y306 HydrophobicContact CE1-CD2 4.45Å; F167-Y306 AromaticContact CE1-CE1 3.65Å; F167-Y306 HydrophobicContact CE1-CE1 3.65Å; F167-Y306 HydrophobicContact CE1-CE2 4.07Å; F167-Y306 HydrophobicContact CE1-CG 4.43Å; F167-Y306 AromaticContact CE1-CZ 3.64Å; F167-Y306 AromaticContact CZ-CD1 3.67Å; F167-Y306 HydrophobicContact CZ-CD1 3.67Å; F167-Y306 AromaticContact CZ-CD2 3.71Å; F167-Y306 HydrophobicContact CZ-CD2 3.71Å; F167-Y306 AromaticContact CZ-CE1 3.72Å; F167-Y306 HydrophobicContact CZ-CE1 3.72Å; F167-Y306 AromaticContact CZ-CE2 3.75Å; F167-Y306 HydrophobicContact CZ-CE2 3.75Å; F167-Y306 AromaticContact CZ-CG 3.65Å; F167-Y306 HydrophobicContact CZ-CG 3.65Å; F167-Y306 AromaticContact CZ-CZ 3.75Å; F167-W316 HydrophobicContact CB-CH2 4.36Å; F167-W316 HydrophobicContact CB-CZ2 3.52Å; F167-W316 AromaticContact CD2-NE1 3.74Å
168	L	98	Very high	97.6	Very high	8 Å²	8	59.5 Å²	59.5	4%	0.042	30%	0.299	C	S	.	.			trans	-113.5	118.8	177.9	178.7	63.2	0	0	0	109.3	L66 I114 V159 A162 F170 W316	L66-L168 HydrophobicContact CD1-CD1 3.65Å; I114-L168 HydrophobicContact CD1-CD2 3.91Å; I114-L168 HydrophobicContact CG1-CD2 4.12Å; V159-L168 HydrophobicContact CG1-CD2 3.87Å; A162-L168 HydrophobicContact CB-CB 3.87Å; A162-L168 PolarHBondContact O-N 2.87Å; A162-L168 VanDerWaalsContact O-N 3.1Å; L168-F170 HydrophobicContact CD1-CD1 3.8Å; L168-F170 HydrophobicContact CD1-CE1 3.49Å; L168-F170 VanDerWaalsContact CD1-CE1 3.49Å; L168-F170 HydrophobicContact CD1-CZ 3.98Å; L168-W316 HydrophobicContact CB-CH2 3.93Å; L168-W316 HydrophobicContact CB-CZ3 4.33Å; L168-W316 HydrophobicContact CD1-CH2 4.38Å
169	D	97.1	Very high	97.5	Very high	67 Å²	67	61.5 Å²	61.5	36%	0.358	31%	0.308	S	S	.	.			trans	-145.5	124.5	170.4	170.4	7.9	0	0	0	106.5	D171 T172 F173	D169-D171 PolarHBondContact OD1-N 3.08Å; D169-T172 PolarHBondContact OD1-N 2.85Å; D169-T172 WeakPolarHBondContact OD2-CB 3.42Å; D169-T172 VanDerWaalsContact OD2-CG2 3.25Å; D169-T172 WeakPolarHBondContact OD2-CG2 3.3Å; D169-T172 PolarHBondContact OD2-OG1 3.19Å; D169-F173 WeakPolarHBondContact O-CB 3.29Å; D169-F173 PolarHBondContact O-N 3.42Å
170	F	97	Very high	97.4	Very high	16 Å²	16	65.8 Å²	65.8	7%	0.07	33%	0.328	C	S	.	.	S	Bend	trans	-98.6	-5.1	-178.7	-80.6	-11.9	0	0	0	113.9	L66 L69 Y70 C73 I114 Y115 L168 F173	L66-F170 HydrophobicContact CD1-CE1 3.75Å; L66-F170 HydrophobicContact CD1-CZ 4.06Å; L69-F170 HydrophobicContact CB-CZ 4.39Å; L69-F170 HydrophobicContact CD2-CZ 4.15Å; L69-F170 HydrophobicContact CG-CE2 4.15Å; L69-F170 HydrophobicContact CG-CZ 3.9Å; Y70-F170 HydrophobicContact CD2-CB 4.16Å; Y70-F170 AromaticContact CD2-CD1 3.69Å; Y70-F170 HydrophobicContact CD2-CD1 3.69Å; Y70-F170 HydrophobicContact CD2-CD2 4.23Å; Y70-F170 AromaticContact CD2-CE1 3.99Å; Y70-F170 HydrophobicContact CD2-CE1 3.99Å; Y70-F170 AromaticContact CD2-CG 3.79Å; Y70-F170 HydrophobicContact CD2-CG 3.79Å; Y70-F170 HydrophobicContact CD2-CZ 4.41Å; Y70-F170 HydrophobicContact CE2-CB 4.3Å; Y70-F170 HydrophobicContact CE2-CG 4.43Å; Y70-F170 HydrophobicContact CG-CE1 4.47Å; C73-F170 HydrophobicContact CB-CD2 4.45Å; C73-F170 HydrophobicContact CB-CE2 4.21Å; I114-F170 HydrophobicContact CD1-CD2 4.34Å; I114-F170 HydrophobicContact CD1-CE2 3.83Å; I114-F170 HydrophobicContact CD1-CZ 4.49Å; I114-F170 HydrophobicContact CG2-CD2 4.21Å; Y115-F170 HydrophobicContact CE2-CD2 4.24Å; L168-F170 HydrophobicContact CD1-CD1 3.8Å; L168-F170 HydrophobicContact CD1-CE1 3.49Å; L168-F170 VanDerWaalsContact CD1-CE1 3.49Å; L168-F170 HydrophobicContact CD1-CZ 3.98Å; F170-F173 HydrophobicContact CD1-CB 3.94Å; F170-F173 HydrophobicContact CD1-CG 4.17Å; F170-F173 HydrophobicContact CE1-CG 4.38Å
171	D	96	Very high	97.3	Very high	159 Å²	159	65.7 Å²	65.7	85%	0.85	33%	0.326	S	S	*	.	S	Bend	trans	-82.8	-23.4	169.7	-64.7	-32.4	0	0	0	111	D169	D169-D171 PolarHBondContact OD1-N 3.08Å
172	T	95.6	Very high	97.1	Very high	110 Å²	110	64.1 Å²	64.1	68%	0.675	32%	0.32	S	S	*	.	S	Bend	trans	-108.2	2.4	173.6	63.7	0	0	0	0	115.3	D169 D174	D169-T172 PolarHBondContact OD1-N 2.85Å; D169-T172 WeakPolarHBondContact OD2-CB 3.42Å; D169-T172 VanDerWaalsContact OD2-CG2 3.25Å; D169-T172 WeakPolarHBondContact OD2-CG2 3.3Å; D169-T172 PolarHBondContact OD2-OG1 3.19Å; T172-D174 PolarHBondContact O-N 3.1Å
173	F	97.5	Very high	96.9	Very high	38 Å²	38	68.5 Å²	68.5	17%	0.167	34%	0.338	C	S	.	.			trans	-75.2	114.4	-178.2	-175.3	-101.9	0	0	0	113.6	L66 Y70 D169 F170 L175 Y178	L66-F173 HydrophobicContact CD2-CD2 4.29Å; L66-F173 HydrophobicContact CD2-CE2 3.59Å; L66-F173 HydrophobicContact CD2-CZ 4.28Å; L66-F173 HydrophobicContact CG-CD2 4.47Å; L66-F173 HydrophobicContact CG-CE2 3.69Å; L66-F173 HydrophobicContact CG-CZ 3.92Å; Y70-F173 HydrophobicContact CD1-CD1 4.22Å; Y70-F173 HydrophobicContact CD1-CE1 4.43Å; Y70-F173 HydrophobicContact CD2-CB 4.2Å; Y70-F173 AromaticContact CD2-CD1 3.49Å; Y70-F173 HydrophobicContact CD2-CD1 3.49Å; Y70-F173 VanDerWaalsContact CD2-CD1 3.49Å; Y70-F173 HydrophobicContact CD2-CE1 4.27Å; Y70-F173 HydrophobicContact CD2-CG 4.2Å; Y70-F173 HydrophobicContact CE2-CB 4.28Å; Y70-F173 HydrophobicContact CE2-CD1 4.02Å; Y70-F173 AromaticContact CG-CD1 3.59Å; Y70-F173 HydrophobicContact CG-CD1 3.59Å; Y70-F173 AromaticContact CG-CE1 3.92Å; Y70-F173 HydrophobicContact CG-CE1 3.92Å; D169-F173 WeakPolarHBondContact O-CB 3.29Å; D169-F173 PolarHBondContact O-N 3.42Å; F170-F173 HydrophobicContact CD1-CB 3.94Å; F170-F173 HydrophobicContact CD1-CG 4.17Å; F170-F173 HydrophobicContact CE1-CG 4.38Å; F173-L175 HydrophobicContact CD1-CB 4.36Å; F173-L175 HydrophobicContact CE1-CB 4.1Å; F173-L175 HydrophobicContact CE1-CD1 4.06Å; F173-L175 PolarHBondContact O-N 3.23Å; F173-Y178 HydrophobicContact CE2-CD2 4.05Å; F173-Y178 HydrophobicContact CE2-CG 4.33Å; F173-Y178 HydrophobicContact CZ-CD1 4.35Å; F173-Y178 AromaticContact CZ-CD2 3.85Å; F173-Y178 HydrophobicContact CZ-CD2 3.85Å; F173-Y178 AromaticContact CZ-CG 3.71Å; F173-Y178 HydrophobicContact CZ-CG 3.71Å
174	D	97.5	Very high	96.5	Very high	76 Å²	76	66.6 Å²	66.6	41%	0.406	33%	0.329	S	S	.	.			trans	-85.2	97.1	171.9	-170.8	-16.2	0	0	0	111.6	T172 Q176 E177 Y178	T172-D174 PolarHBondContact O-N 3.1Å; D174-Q176 VanDerWaalsContact C-N 3.27Å; D174-Q176 PolarHBondContact O-N 2.91Å; D174-Q176 WeakPolarHBondContact OD1-CA 3.46Å; D174-Q176 WeakPolarHBondContact OD1-CB 3.29Å; D174-Q176 PolarHBondContact OD1-N 2.93Å; D174-E177 HydrophobicContact CB-CB 3.99Å; D174-E177 PolarHBondContact OD1-N 3.17Å; D174-E177 WeakPolarHBondContact OD2-CB 3.33Å; D174-Y178 WeakPolarHBondContact O-CB 3.29Å; D174-Y178 PolarHBondContact O-N 3.21Å
175	L	97.3	Very high	96.2	Very high	36 Å²	36	64.7 Å²	64.7	19%	0.188	32%	0.317	C	S	.	.	H	α-helix	trans	-60.7	-33.6	173.6	-179.7	69.6	0	0	0	112.8	Y70 K71 F173 E179	Y70-L175 HydrophobicContact CD1-CB 3.99Å; Y70-L175 HydrophobicContact CD1-CD1 4.03Å; Y70-L175 HydrophobicContact CD1-CD2 3.89Å; Y70-L175 HydrophobicContact CD1-CG 4.19Å; Y70-L175 HydrophobicContact CE1-CB 3.99Å; Y70-L175 HydrophobicContact CE1-CD2 4Å; Y70-L175 HydrophobicContact CE1-CG 4.48Å; K71-L175 HydrophobicContact CG-CD1 4.27Å; K71-L175 HydrophobicContact CG-CD2 4Å; F173-L175 HydrophobicContact CD1-CB 4.36Å; F173-L175 HydrophobicContact CE1-CB 4.1Å; F173-L175 HydrophobicContact CE1-CD1 4.06Å; F173-L175 PolarHBondContact O-N 3.23Å; L175-E179 HydrophobicContact CD1-CG 3.95Å; L175-E179 HydrophobicContact CG-CG 4.43Å; L175-E179 WeakPolarHBondContact O-CB 3.3Å; L175-E179 WeakPolarHBondContact O-CG 3.33Å; L175-E179 PolarHBondContact O-N 3.17Å
176	Q	97.5	Very high	96	Very high	164 Å²	164	64.4 Å²	64.4	77%	0.766	32%	0.316	S	S	*	.	H	α-helix	trans	-74.2	-42.2	-177.7	-59.4	-171.8	20.3	0	0	110.6	D174 Y178 H180	D174-Q176 VanDerWaalsContact C-N 3.27Å; D174-Q176 PolarHBondContact O-N 2.91Å; D174-Q176 WeakPolarHBondContact OD1-CA 3.46Å; D174-Q176 WeakPolarHBondContact OD1-CB 3.29Å; D174-Q176 PolarHBondContact OD1-N 2.93Å; Q176-Y178 VanDerWaalsContact C-N 3.35Å; Q176-H180 WeakPolarHBondContact O-CB 3.49Å; Q176-H180 PolarHBondContact O-N 3.42Å
177	E	97.6	Very high	95.8	Very high	21 Å²	21	56 Å²	56	10%	0.098	28%	0.28	C	S	.	.	H	α-helix	trans	-63.7	-41	173.2	-165.3	171.1	109	0	0	110.9	D174 F181 Y224 K227 R228	D174-E177 HydrophobicContact CB-CB 3.99Å; D174-E177 PolarHBondContact OD1-N 3.17Å; D174-E177 WeakPolarHBondContact OD2-CB 3.33Å; E177-F181 HydrophobicContact CG-CD2 3.58Å; E177-F181 HydrophobicContact CG-CE2 3.79Å; E177-F181 WeakPolarHBondContact O-CB 3.45Å; E177-F181 WeakPolarHBondContact O-CD2 3.32Å; E177-F181 PolarHBondContact O-N 3.01Å; E177-Y224 VanDerWaalsContact CD-CE2 3.49Å; E177-Y224 HydrophobicContact CG-CE2 4.06Å; E177-Y224 VanDerWaalsContact OE1-CE2 3.31Å; E177-Y224 WeakPolarHBondContact OE1-CE2 3.25Å; E177-Y224 PolarHBondContact OE1-OH 3.22Å; E177-K227 IonicContact OE2-NZ 3.16Å; E177-K227 PolarHBondContact OE2-NZ 2.82Å; E177-R228 IonicContact OE1-CZ 2.83Å; E177-R228 VanDerWaalsContact OE1-CZ 3.24Å; E177-R228 IonicContact OE1-NE 2.88Å; E177-R228 PolarHBondContact OE1-NE 2.98Å; E177-R228 IonicContact OE1-NH2 2.64Å; E177-R228 PolarHBondContact OE1-NH2 3.5Å; E177-R228 IonicContact OE2-CZ 3.96Å; E177-R228 IonicContact OE2-NE 2.66Å; E177-R228 IonicContact OE2-NH2 2.64Å; E177-R228 PolarHBondContact OE2-NH2 2.78Å
178	Y	97.9	Very high	95.7	Very high	26 Å²	26	56 Å²	56	10%	0.102	28%	0.281	C	S	.	.	H	α-helix	trans	-60.4	-55.8	176	-174.1	-88	0	0	0	112.7	L66 F173 D174 Q176 H180 F181 E182 C320	L66-Y178 HydrophobicContact CB-CE2 4.02Å; L66-Y178 HydrophobicContact CD2-CE2 4.47Å; F173-Y178 HydrophobicContact CE2-CD2 4.05Å; F173-Y178 HydrophobicContact CE2-CG 4.33Å; F173-Y178 HydrophobicContact CZ-CD1 4.35Å; F173-Y178 AromaticContact CZ-CD2 3.85Å; F173-Y178 HydrophobicContact CZ-CD2 3.85Å; F173-Y178 AromaticContact CZ-CG 3.71Å; F173-Y178 HydrophobicContact CZ-CG 3.71Å; D174-Y178 WeakPolarHBondContact O-CB 3.29Å; D174-Y178 PolarHBondContact O-N 3.21Å; Q176-Y178 VanDerWaalsContact C-N 3.35Å; Y178-H180 VanDerWaalsContact C-N 3.29Å; Y178-H180 PolarHBondContact O-N 3.03Å; Y178-F181 PolarHBondContact O-N 3.32Å; Y178-E182 PolarHBondContact O-N 3.4Å; Y178-C320 PolarHBondContact OH-O 3.37Å
179	E	96.8	Very high	95.7	Very high	43 Å²	43	55.9 Å²	55.9	20%	0.201	28%	0.28	C	S	.	.	H	α-helix	trans	-77.2	-12.9	-176.2	-62.4	-165.4	159.5	0	0	113.6	K71 L175 K183	K71-E179 WeakPolarHBondContact CE-OE1 3.43Å; K71-E179 WeakPolarHBondContact CE-OE2 3.3Å; K71-E179 IonicContact NZ-OE1 2.71Å; K71-E179 PolarHBondContact NZ-OE1 3.15Å; K71-E179 IonicContact NZ-OE2 3.22Å; K71-E179 PolarHBondContact NZ-OE2 2.81Å; L175-E179 HydrophobicContact CD1-CG 3.95Å; L175-E179 HydrophobicContact CG-CG 4.43Å; L175-E179 WeakPolarHBondContact O-CB 3.3Å; L175-E179 WeakPolarHBondContact O-CG 3.33Å; L175-E179 PolarHBondContact O-N 3.17Å; E179-K183 VanDerWaalsContact O-CD 3.28Å; E179-K183 WeakPolarHBondContact O-CD 3.29Å; E179-K183 WeakPolarHBondContact O-CE 3.47Å
180	H	96.6	Very high	95.8	Very high	90 Å²	90	53 Å²	53	42%	0.417	27%	0.265	S	S	.	.	H	α-helix	trans	-72.9	-56.2	163.8	-177.8	86.8	0	0	0	110.1	Q176 Y178 K183 N186	Q176-H180 WeakPolarHBondContact O-CB 3.49Å; Q176-H180 PolarHBondContact O-N 3.42Å; Y178-H180 VanDerWaalsContact C-N 3.29Å; Y178-H180 PolarHBondContact O-N 3.03Å; H180-K183 WeakPolarHBondContact O-CB 3.43Å; H180-N186 VanDerWaalsContact CE1-CG 3.44Å; H180-N186 PolarHBondContact ND1-ND2 2.88Å; H180-N186 VanDerWaalsContact O-CB 3.31Å; H180-N186 WeakPolarHBondContact O-CB 3.45Å; H180-N186 PolarHBondContact O-ND2 3.24Å
181	F	97.1	Very high	95.8	Very high	35 Å²	35	54.5 Å²	54.5	15%	0.154	27%	0.27	C	S	.	.	H	α-helix	trans	-82.6	-19	-167.4	-80.1	-65.2	0	0	0	116.1	E177 Y178 K183 N186 D188 L189 Y224	E177-F181 HydrophobicContact CG-CD2 3.58Å; E177-F181 HydrophobicContact CG-CE2 3.79Å; E177-F181 WeakPolarHBondContact O-CB 3.45Å; E177-F181 WeakPolarHBondContact O-CD2 3.32Å; E177-F181 PolarHBondContact O-N 3.01Å; Y178-F181 PolarHBondContact O-N 3.32Å; F181-K183 PolarHBondContact O-N 2.86Å; F181-K183 VanDerWaalsContact O-N 3.17Å; F181-N186 HydrophobicContact CD1-CB 4.42Å; F181-N186 WeakPolarHBondContact CD1-O 3.39Å; F181-D188 WeakPolarHBondContact O-CA 3.46Å; F181-D188 PolarHBondContact O-N 2.88Å; F181-L189 CarbonylContact C-O 3.56Å; F181-L189 HydrophobicContact CB-CD1 3.52Å; F181-L189 HydrophobicContact CB-CG 3.84Å; F181-L189 HydrophobicContact CD1-CD1 3.97Å; F181-L189 HydrophobicContact CD1-CD2 3.84Å; F181-L189 HydrophobicContact CD1-CG 3.93Å; F181-L189 HydrophobicContact CE1-CD2 4.45Å; F181-L189 HydrophobicContact CG-CD1 3.78Å; F181-L189 HydrophobicContact CG-CD2 4.49Å; F181-L189 HydrophobicContact CG-CG 4.15Å; F181-L189 PolarHBondContact O-N 3.4Å; F181-Y224 HydrophobicContact CD2-CD2 4.27Å; F181-Y224 AromaticContact CD2-CE2 3.85Å; F181-Y224 HydrophobicContact CD2-CE2 3.85Å; F181-Y224 HydrophobicContact CE1-CD1 4.46Å; F181-Y224 HydrophobicContact CE1-CD2 4.19Å; F181-Y224 HydrophobicContact CE1-CG 4.08Å; F181-Y224 AromaticContact CE2-CD2 3.45Å; F181-Y224 HydrophobicContact CE2-CD2 3.45Å; F181-Y224 VanDerWaalsContact CE2-CD2 3.45Å; F181-Y224 AromaticContact CE2-CE2 3.36Å; F181-Y224 HydrophobicContact CE2-CE2 3.36Å; F181-Y224 HydrophobicContact CE2-CG 4.13Å; F181-Y224 AromaticContact CE2-CZ 3.99Å; F181-Y224 HydrophobicContact CZ-CD1 4.43Å; F181-Y224 AromaticContact CZ-CD2 3.4Å; F181-Y224 HydrophobicContact CZ-CD2 3.4Å; F181-Y224 VanDerWaalsContact CZ-CD2 3.4Å; F181-Y224 AromaticContact CZ-CE2 3.84Å; F181-Y224 HydrophobicContact CZ-CE2 3.84Å; F181-Y224 AromaticContact CZ-CG 3.74Å; F181-Y224 HydrophobicContact CZ-CG 3.74Å
182	E	94.9	Very high	96	Very high	32 Å²	32	47 Å²	47	15%	0.15	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-15.4	172.6	74.9	178.6	153.8	0	0	113.4	Y178 R1087	Y178-E182 PolarHBondContact O-N 3.4Å; E182-R1087 PolarHBondContact O-NH2 2.9Å
183	K	93.3	Very high	96.1	Very high	91 Å²	91	42.1 Å²	42.1	40%	0.396	20%	0.2	S	C	.	.	S	Bend	trans	-84.7	145.9	-175.1	-64.1	178.2	173.9	177.4	0	112.3	E179 H180 F181 E185 N186 G187 D188	E179-K183 VanDerWaalsContact O-CD 3.28Å; E179-K183 WeakPolarHBondContact O-CD 3.29Å; E179-K183 WeakPolarHBondContact O-CE 3.47Å; H180-K183 WeakPolarHBondContact O-CB 3.43Å; F181-K183 PolarHBondContact O-N 2.86Å; F181-K183 VanDerWaalsContact O-N 3.17Å; K183-E185 VanDerWaalsContact C-N 3.31Å; K183-E185 HydrophobicContact CB-CG 4.05Å; K183-E185 PolarHBondContact O-N 3.06Å; K183-N186 PolarHBondContact O-N 3.39Å; K183-N186 VanDerWaalsContact O-N 3.15Å; K183-G187 PolarHBondContact O-N 3.27Å; K183-D188 PolarHBondContact O-N 2.97Å
184	V	90.4	Very high	96.1	Very high	21 Å²	21	43.3 Å²	43.3	13%	0.127	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-64.1	-39.7	-176.6	-177.9	0	0	0	0	111	N186 G187 D188 Y213 H216 V1086	V184-N186 PolarHBondContact O-N 2.85Å; V184-G187 PolarHBondContact O-N 2.8Å; V184-D188 HydrophobicContact CG2-CB 4.48Å; V184-Y213 HydrophobicContact CB-CD1 4.44Å; V184-Y213 HydrophobicContact CG1-CD1 4.24Å; V184-H216 PolarHBondContact O-NE2 2.74Å; V184-V1086 HydrophobicContact CG1-CG1 4.45Å
185	E	91.1	Very high	96	Very high	79 Å²	79	45 Å²	45	37%	0.369	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-58.3	-25.9	176.6	54.9	-92.3	-144.1	0	0	114.2	K183 P214 H216	K183-E185 VanDerWaalsContact C-N 3.31Å; K183-E185 HydrophobicContact CB-CG 4.05Å; K183-E185 PolarHBondContact O-N 3.06Å; E185-P214 HydrophobicContact CB-CG 4.18Å; E185-H216 PolarHBondContact O-CE1 3.12Å; E185-H216 PolarHBondContact O-NE2 3.5Å
186	N	93.4	Very high	96	Very high	49 Å²	49	44.9 Å²	44.9	26%	0.262	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-111.9	4.3	-176.5	-54.8	-39.7	0	0	0	113.8	H180 F181 K183 V184	H180-N186 VanDerWaalsContact CE1-CG 3.44Å; H180-N186 PolarHBondContact ND1-ND2 2.88Å; H180-N186 VanDerWaalsContact O-CB 3.31Å; H180-N186 WeakPolarHBondContact O-CB 3.45Å; H180-N186 PolarHBondContact O-ND2 3.24Å; F181-N186 HydrophobicContact CD1-CB 4.42Å; F181-N186 WeakPolarHBondContact CD1-O 3.39Å; K183-N186 PolarHBondContact O-N 3.39Å; K183-N186 VanDerWaalsContact O-N 3.15Å; V184-N186 PolarHBondContact O-N 2.85Å
187	G	92.6	Very high	96.1	Very high	3 Å²	3	37.1 Å²	37.1	3%	0.031	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	126.1	-11.6	171	0	0	0	0	0	116.2	K183 V184 H216 Y221	K183-G187 PolarHBondContact O-N 3.27Å; V184-G187 PolarHBondContact O-N 2.8Å; G187-H216 PolarHBondContact N-NE2 3.13Å; G187-Y221 WeakPolarHBondContact O-CE1 3.35Å; G187-Y221 PolarHBondContact O-OH 3.48Å
188	D	95.7	Very high	96.2	Very high	12 Å²	12	36.1 Å²	36.1	6%	0.064	18%	0.177	C	C	.	.			trans	48.3	67	-176.1	179.1	28.7	0	0	0	112.1	F181 K183 V184 F200 C201 R321	F181-D188 WeakPolarHBondContact O-CA 3.46Å; F181-D188 PolarHBondContact O-N 2.88Å; K183-D188 PolarHBondContact O-N 2.97Å; V184-D188 HydrophobicContact CG2-CB 4.48Å; D188-F200 CarbonylContact O-C 3.56Å; D188-F200 WeakPolarHBondContact O-CA 3.36Å; D188-C201 HydrophobicContact CB-CB 3.79Å; D188-C201 PolarHBondContact O-N 3.38Å; D188-C201 WeakPolarHBondContact OD2-CB 3.32Å; D188-R321 PolarHBondContact O-NH1 3.26Å; D188-R321 PolarHBondContact O-NH2 3.13Å; D188-R321 IonicContact OD1-CZ 3.1Å; D188-R321 VanDerWaalsContact OD1-CZ 3.24Å; D188-R321 IonicContact OD1-NH1 2.78Å; D188-R321 PolarHBondContact OD1-NH1 2.96Å; D188-R321 IonicContact OD1-NH2 2.68Å; D188-R321 PolarHBondContact OD1-NH2 2.96Å; D188-R321 IonicContact OD2-NH2 2.86Å; D188-R321 PolarHBondContact OD2-NH2 3.29Å
189	L	97.3	Very high	96.2	Very high	5 Å²	5	35 Å²	35	3%	0.026	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	150.9	-177.5	66	88.3	0	0	0	112.3	F181 L198 A199 F200 Y221 Y224 F225	F181-L189 CarbonylContact C-O 3.56Å; F181-L189 HydrophobicContact CB-CD1 3.52Å; F181-L189 HydrophobicContact CB-CG 3.84Å; F181-L189 HydrophobicContact CD1-CD1 3.97Å; F181-L189 HydrophobicContact CD1-CD2 3.84Å; F181-L189 HydrophobicContact CD1-CG 3.93Å; F181-L189 HydrophobicContact CE1-CD2 4.45Å; F181-L189 HydrophobicContact CG-CD1 3.78Å; F181-L189 HydrophobicContact CG-CD2 4.49Å; F181-L189 HydrophobicContact CG-CG 4.15Å; F181-L189 PolarHBondContact O-N 3.4Å; L189-L198 HydrophobicContact CB-CD1 4.4Å; L189-L198 HydrophobicContact CB-CD2 4.44Å; L189-L198 HydrophobicContact CB-CG 4.48Å; L189-L198 HydrophobicContact CD1-CD1 3.71Å; L189-L198 HydrophobicContact CD1-CD2 4.19Å; L189-L198 HydrophobicContact CD1-CG 4.42Å; L189-A199 CarbonylContact C-O 3.58Å; L189-A199 WeakPolarHBondContact CA-O 3.34Å; L189-F200 HydrophobicContact CB-CB 3.5Å; L189-F200 VanDerWaalsContact CB-CB 3.5Å; L189-Y221 HydrophobicContact CD2-CD1 3.93Å; L189-Y221 HydrophobicContact CD2-CE1 4.07Å; L189-Y224 HydrophobicContact CD1-CD1 4.08Å; L189-Y224 HydrophobicContact CD1-CE1 3.53Å; L189-Y224 HydrophobicContact CD2-CD1 4.12Å; L189-Y224 HydrophobicContact CD2-CE1 4.4Å; L189-F225 HydrophobicContact CD2-CE1 4.47Å
190	S	98	Very high	96.3	Very high	7 Å²	7	32.9 Å²	32.9	5%	0.049	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	136.8	-175.7	-38.7	0	0	0	0	110.9	L198 A199 R321	S190-L198 WeakPolarHBondContact O-CD1 3.47Å; S190-A199 PolarHBondContact N-O 3.11Å; S190-A199 PolarHBondContact O-N 3.45Å; S190-R321 PolarHBondContact OG-NH1 3.15Å
191	W	98.5	Very high	96.3	Very high	47 Å²	47	30.1 Å²	30.1	18%	0.178	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	135.7	172	-72.1	96.6	0	0	0	110.8	L198 Y224 R228 V230 A282 C320	W191-L198 HydrophobicContact CD2-CB 4.44Å; W191-L198 HydrophobicContact CD2-CD1 3.76Å; W191-L198 HydrophobicContact CE3-CB 4.19Å; W191-L198 HydrophobicContact CE3-CD1 4.35Å; W191-L198 HydrophobicContact CG-CD1 3.91Å; W191-L198 HydrophobicContact CH2-CB 4.24Å; W191-L198 HydrophobicContact CZ2-CB 4.44Å; W191-L198 HydrophobicContact CZ2-CD1 4.11Å; W191-L198 HydrophobicContact CZ3-CB 4.1Å; W191-Y224 AromaticContact NE1-CZ 3.95Å; W191-Y224 PolarHBondContact NE1-OH 3.31Å; W191-R228 HydrophobicContact CH2-CB 4.19Å; W191-R228 HydrophobicContact CZ2-CB 3.62Å; W191-R228 HydrophobicContact CZ2-CG 4.06Å; W191-V230 HydrophobicContact CH2-CG2 4.31Å; W191-A282 HydrophobicContact CH2-CB 3.75Å; W191-A282 HydrophobicContact CZ3-CB 3.93Å; W191-C320 WeakPolarHBondContact O-CB 3.43Å
192	I	98.6	Very high	96.2	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-34.6	175.7	-52.3	-56.3	0	0	0	110.8	F197 A199 I298 L302 W316 I317 C320 R321	I192-F197 HydrophobicContact CB-CB 4.35Å; I192-F197 PolarHBondContact N-O 3.47Å; I192-A199 HydrophobicContact CD1-CB 4.07Å; I192-A199 HydrophobicContact CG1-CB 3.77Å; I192-I298 HydrophobicContact CB-CG2 4.29Å; I192-I298 HydrophobicContact CG1-CD1 4.23Å; I192-I298 HydrophobicContact CG2-CG2 3.77Å; I192-L302 HydrophobicContact CG2-CD1 4.35Å; I192-W316 PolarHBondContact O-NE1 3.31Å; I192-I317 HydrophobicContact CD1-CG2 4.13Å; I192-I317 HydrophobicContact CG2-CD1 4.44Å; I192-I317 HydrophobicContact CG2-CG1 3.79Å; I192-C320 HydrophobicContact CD1-CB 3.65Å; I192-R321 HydrophobicContact CD1-CB 3.96Å
193	I	98.3	Very high	96.3	Very high	8 Å²	8	27.2 Å²	27.2	4%	0.041	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	117.4	164.6	-54.5	-174.8	0	0	0	106.1	F167 N195 K196 F197 L302 Y306	F167-I193 HydrophobicContact CD1-CG1 4.5Å; F167-I193 HydrophobicContact CD1-CG2 3.81Å; F167-I193 HydrophobicContact CE1-CD1 4.25Å; F167-I193 HydrophobicContact CE1-CG1 4.45Å; F167-I193 HydrophobicContact CE1-CG2 3.98Å; F167-I193 HydrophobicContact CZ-CD1 4.27Å; I193-N195 PolarHBondContact O-N 3.03Å; I193-K196 HydrophobicContact CB-CB 4.26Å; I193-K196 HydrophobicContact CG2-CB 4.05Å; I193-K196 PolarHBondContact O-N 3.44Å; I193-K196 VanDerWaalsContact O-N 3.07Å; I193-F197 HydrophobicContact CB-CB 4.37Å; I193-F197 HydrophobicContact CB-CD2 4.49Å; I193-F197 HydrophobicContact CD1-CD2 3.97Å; I193-F197 HydrophobicContact CG1-CD2 4.33Å; I193-F197 PolarHBondContact N-O 3.39Å; I193-F197 PolarHBondContact O-N 3.47Å; I193-L302 HydrophobicContact CD1-CD2 3.57Å; I193-L302 HydrophobicContact CD1-CG 4.22Å; I193-L302 HydrophobicContact CG1-CD2 4.07Å; I193-Y306 HydrophobicContact CD1-CE2 3.77Å
194	P	97.3	Very high	96.3	Very high	63 Å²	63	25.8 Å²	25.8	41%	0.409	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	134.3	179.2	-28.5	35.4	0	0	0	112	K196	P194-K196 PolarHBondContact O-N 3.44Å
195	N	96	Very high	96.5	Very high	112 Å²	112	28.2 Å²	28.2	60%	0.599	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	5.6	-179.3	-51.5	-43.7	0	0	0	116.6	I193 A282	I193-N195 PolarHBondContact O-N 3.03Å; N195-A282 WeakPolarHBondContact O-CB 3.36Å
196	K	98.1	Very high	96.4	Very high	34 Å²	34	30.7 Å²	30.7	15%	0.148	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.8	-43.9	175.9	-172.1	62.3	179.8	179.9	0	114.6	I193 P194 C276 V279 I283	I193-K196 HydrophobicContact CB-CB 4.26Å; I193-K196 HydrophobicContact CG2-CB 4.05Å; I193-K196 PolarHBondContact O-N 3.44Å; I193-K196 VanDerWaalsContact O-N 3.07Å; P194-K196 PolarHBondContact O-N 3.44Å; K196-C276 WeakPolarHBondContact CE-O 3.27Å; K196-C276 PolarHBondContact NZ-O 3.12Å; K196-V279 PolarHBondContact NZ-O 3.17Å; K196-I283 PolarHBondContact O-N 2.73Å
197	F	98.7	Very high	96.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	120.9	-179	-80.1	-74.6	0	0	0	113.6	I192 I193 F272 C276 I283 V285 I298 Y301	I192-F197 HydrophobicContact CB-CB 4.35Å; I192-F197 PolarHBondContact N-O 3.47Å; I193-F197 HydrophobicContact CB-CB 4.37Å; I193-F197 HydrophobicContact CB-CD2 4.49Å; I193-F197 HydrophobicContact CD1-CD2 3.97Å; I193-F197 HydrophobicContact CG1-CD2 4.33Å; I193-F197 PolarHBondContact N-O 3.39Å; I193-F197 PolarHBondContact O-N 3.47Å; F197-F272 HydrophobicContact CE1-CE1 4.36Å; F197-F272 AromaticContact CE1-CZ 3.78Å; F197-F272 HydrophobicContact CE1-CZ 3.78Å; F197-F272 HydrophobicContact CZ-CE1 4.43Å; F197-F272 HydrophobicContact CZ-CZ 4.3Å; F197-C276 HydrophobicContact CE1-CB 4.47Å; F197-C276 HydrophobicContact CZ-CB 3.81Å; F197-C276 VanDerWaalsContact CZ-SG 3.58Å; F197-I283 WeakPolarHBondContact CA-O 3.4Å; F197-I283 HydrophobicContact CD1-CB 4.21Å; F197-I283 HydrophobicContact CE1-CB 4.16Å; F197-I283 HydrophobicContact CE1-CD1 4.05Å; F197-I283 HydrophobicContact CE1-CG2 4.27Å; F197-I283 HydrophobicContact CZ-CD1 4.09Å; F197-V285 HydrophobicContact CD1-CG2 4.08Å; F197-V285 HydrophobicContact CE1-CG2 4.2Å; F197-I298 HydrophobicContact CB-CG2 4.27Å; F197-I298 HydrophobicContact CD1-CD1 4.24Å; F197-I298 HydrophobicContact CD1-CG1 3.89Å; F197-I298 HydrophobicContact CD1-CG2 4.34Å; F197-I298 HydrophobicContact CD2-CG2 4.42Å; F197-I298 HydrophobicContact CE1-CG1 4.27Å; F197-I298 HydrophobicContact CG-CG1 4.44Å; F197-I298 HydrophobicContact CG-CG2 4.09Å; F197-Y301 HydrophobicContact CD2-CD1 4.37Å; F197-Y301 AromaticContact CE2-CD1 3.47Å; F197-Y301 HydrophobicContact CE2-CD1 3.47Å; F197-Y301 VanDerWaalsContact CE2-CD1 3.47Å; F197-Y301 AromaticContact CE2-CD2 3.93Å; F197-Y301 HydrophobicContact CE2-CD2 3.93Å; F197-Y301 AromaticContact CE2-CE1 3.73Å; F197-Y301 HydrophobicContact CE2-CE1 3.73Å; F197-Y301 HydrophobicContact CE2-CE2 4.16Å; F197-Y301 AromaticContact CE2-CG 3.57Å; F197-Y301 HydrophobicContact CE2-CG 3.57Å; F197-Y301 HydrophobicContact CZ-CD1 4.17Å; F197-Y301 AromaticContact CZ-CD2 3.84Å; F197-Y301 HydrophobicContact CZ-CD2 3.84Å; F197-Y301 HydrophobicContact CZ-CE2 4.27Å; F197-Y301 AromaticContact CZ-CG 3.78Å; F197-Y301 HydrophobicContact CZ-CG 3.78Å
198	L	98.6	Very high	96.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.6	169.8	-173.7	75.3	0	0	0	109.6	L189 S190 W191 Y224 F225 I283 A284 V285	L189-L198 HydrophobicContact CB-CD1 4.4Å; L189-L198 HydrophobicContact CB-CD2 4.44Å; L189-L198 HydrophobicContact CB-CG 4.48Å; L189-L198 HydrophobicContact CD1-CD1 3.71Å; L189-L198 HydrophobicContact CD1-CD2 4.19Å; L189-L198 HydrophobicContact CD1-CG 4.42Å; S190-L198 WeakPolarHBondContact O-CD1 3.47Å; W191-L198 HydrophobicContact CD2-CB 4.44Å; W191-L198 HydrophobicContact CD2-CD1 3.76Å; W191-L198 HydrophobicContact CE3-CB 4.19Å; W191-L198 HydrophobicContact CE3-CD1 4.35Å; W191-L198 HydrophobicContact CG-CD1 3.91Å; W191-L198 HydrophobicContact CH2-CB 4.24Å; W191-L198 HydrophobicContact CZ2-CB 4.44Å; W191-L198 HydrophobicContact CZ2-CD1 4.11Å; W191-L198 HydrophobicContact CZ3-CB 4.1Å; L198-Y224 HydrophobicContact CD2-CE1 4.45Å; L198-F225 HydrophobicContact CD2-CD1 4.12Å; L198-F225 HydrophobicContact CD2-CE1 3.49Å; L198-F225 VanDerWaalsContact CD2-CE1 3.49Å; L198-F225 HydrophobicContact CD2-CZ 4.28Å; L198-I283 PolarHBondContact N-O 2.86Å; L198-A284 HydrophobicContact CB-CB 4.32Å; L198-A284 HydrophobicContact CD2-CB 4.26Å; L198-A284 CarbonylContact O-C 3.53Å; L198-A284 WeakPolarHBondContact O-CA 3.3Å; L198-V285 PolarHBondContact O-N 2.96Å
199	A	98.7	Very high	95.8	Very high	2 Å²	2	42.2 Å²	42.2	2%	0.017	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	130.1	172.3	0	0	0	0	0	109.4	L189 S190 I192 T294 I298	L189-A199 CarbonylContact C-O 3.58Å; L189-A199 WeakPolarHBondContact CA-O 3.34Å; S190-A199 PolarHBondContact N-O 3.11Å; S190-A199 PolarHBondContact O-N 3.45Å; I192-A199 HydrophobicContact CD1-CB 4.07Å; I192-A199 HydrophobicContact CG1-CB 3.77Å; A199-T294 HydrophobicContact CB-CG2 3.65Å; A199-I298 HydrophobicContact CB-CD1 4.15Å
200	F	98.3	Very high	95	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	160.8	-177.5	74.7	-69.5	0	0	0	114.8	D188 L189 P203 Y221 F225 I233 A284 V285 H286 G290	D188-F200 CarbonylContact O-C 3.56Å; D188-F200 WeakPolarHBondContact O-CA 3.36Å; L189-F200 HydrophobicContact CB-CB 3.5Å; L189-F200 VanDerWaalsContact CB-CB 3.5Å; F200-P203 HydrophobicContact CE2-CG 3.73Å; F200-Y221 HydrophobicContact CD2-CD1 4.01Å; F200-Y221 AromaticContact CD2-CE1 3.63Å; F200-Y221 HydrophobicContact CD2-CE1 3.63Å; F200-Y221 AromaticContact CD2-CZ 3.98Å; F200-Y221 HydrophobicContact CE2-CD1 4.27Å; F200-Y221 HydrophobicContact CE2-CE1 4.19Å; F200-Y221 HydrophobicContact CE2-CG 4.48Å; F200-F225 HydrophobicContact CD1-CZ 4.37Å; F200-F225 HydrophobicContact CD2-CZ 4.13Å; F200-F225 HydrophobicContact CE1-CZ 4.11Å; F200-F225 HydrophobicContact CE2-CE2 4.32Å; F200-F225 AromaticContact CE2-CZ 3.83Å; F200-F225 HydrophobicContact CE2-CZ 3.83Å; F200-F225 HydrophobicContact CG-CZ 4.4Å; F200-F225 HydrophobicContact CZ-CE2 4.09Å; F200-F225 AromaticContact CZ-CZ 3.82Å; F200-F225 HydrophobicContact CZ-CZ 3.82Å; F200-I233 HydrophobicContact CZ-CG2 4.21Å; F200-A284 HydrophobicContact CD1-CB 3.91Å; F200-A284 HydrophobicContact CE1-CB 3.51Å; F200-A284 HydrophobicContact CZ-CB 4.33Å; F200-V285 PolarHBondContact N-O 3.07Å; F200-H286 HydrophobicContact CD1-CB 3.75Å; F200-H286 HydrophobicContact CD2-CB 4.29Å; F200-H286 HydrophobicContact CE1-CB 3.65Å; F200-H286 AromaticContact CE1-CD2 3.91Å; F200-H286 HydrophobicContact CE2-CB 4.23Å; F200-H286 HydrophobicContact CG-CB 4.07Å; F200-H286 HydrophobicContact CZ-CB 3.91Å; F200-H286 AromaticContact CZ-CD2 3.58Å; F200-H286 WeakPolarHBondContact O-CA 3.17Å; F200-H286 WeakPolarHBondContact O-CB 3.48Å; F200-G290 WeakPolarHBondContact O-CA 3.29Å
201	C	96.5	Very high	94.1	Very high	31 Å²	31	50.5 Å²	50.5	21%	0.209	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-65.7	151.7	173.1	-167.2	0	0	0	0	111.8	D188 P203 K288	D188-C201 HydrophobicContact CB-CB 3.79Å; D188-C201 PolarHBondContact O-N 3.38Å; D188-C201 WeakPolarHBondContact OD2-CB 3.32Å; C201-P203 WeakPolarHBondContact O-CD 2.79Å; C201-K288 PolarHBondContact SG-O 3.12Å
202	G	96.1	Very high	93.2	Very high	5 Å²	5	51.1 Å²	51.1	5%	0.052	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-76.2	122.6	-174.6	0	0	0	0	0	113.1	H204 H286 C287 K288	G202-H204 PolarHBondContact O-CD2 2.87Å; G202-H286 WeakPolarHBondContact CA-ND1 3.48Å; G202-C287 WeakPolarHBondContact CA-O 3.31Å; G202-K288 PolarHBondContact N-O 2.94Å
203	P	96.8	Very high	92.1	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-59.6	155.4	177.5	-25.1	34	0	0	0	113.9	F200 C201 H216 P218 Y221 Y241 F246	F200-P203 HydrophobicContact CE2-CG 3.73Å; C201-P203 WeakPolarHBondContact O-CD 2.79Å; P203-H216 CarbonylContact C-O 3.6Å; P203-H216 WeakPolarHBondContact CA-O 3.24Å; P203-P218 HydrophobicContact CB-CG 4.09Å; P203-Y221 HydrophobicContact CB-CE2 4.18Å; P203-Y221 HydrophobicContact CG-CD2 4.18Å; P203-Y221 HydrophobicContact CG-CE2 3.77Å; P203-Y241 HydrophobicContact CB-CD1 3.93Å; P203-Y241 HydrophobicContact CB-CE1 4.06Å; P203-Y241 HydrophobicContact CB-CG 4.47Å; P203-Y241 HydrophobicContact CG-CE1 4.14Å; P203-Y241 VanDerWaalsContact O-CD1 3.29Å; P203-Y241 WeakPolarHBondContact O-CD1 3.42Å; P203-F246 HydrophobicContact CG-CE2 4.33Å; P203-F246 HydrophobicContact CG-CZ 4.26Å
204	H	93.9	Very high	91.4	Very high	61 Å²	61	53.3 Å²	53.3	28%	0.282	30%	0.299	S	S	.	.			trans	-104.1	167.5	176.8	-77.9	-101.7	0	0	0	112.3	G202 Q206 L215 H216 S217	G202-H204 PolarHBondContact O-CD2 2.87Å; H204-Q206 PolarHBondContact O-N 2.97Å; H204-L215 HydrophobicContact CB-CB 4.18Å; H204-H216 PolarHBondContact N-O 2.76Å; H204-S217 WeakPolarHBondContact O-CA 3.34Å
205	S	93	Very high	91.1	Very high	72 Å²	72	51.8 Å²	51.8	50%	0.503	29%	0.287	S	S	.	.	S	Bend	trans	-67.3	-19.9	179.9	53.9	0	0	0	0	114.3	V240 R245	S205-V240 WeakPolarHBondContact CB-O 3.21Å; S205-V240 PolarHBondContact N-O 3.38Å; S205-R245 PolarHBondContact O-NH1 3.34Å
206	Q	90.5	Very high	91	Very high	131 Å²	131	47.7 Å²	47.7	61%	0.612	26%	0.264	S	S	*	.	S	Bend	trans	-150.8	148.7	176.4	-68.4	-179.7	-20.6	0	0	108.7	H204 K208	H204-Q206 PolarHBondContact O-N 2.97Å; Q206-K208 PolarHBondContact O-N 2.84Å
207	T	91.1	Very high	90.9	Very high	80 Å²	80	46.5 Å²	46.5	49%	0.491	26%	0.26	S	S	.	.			trans	-73	119.9	167.4	-61.9	0	0	0	0	108.3	L215 S217	T207-L215 WeakPolarHBondContact CA-O 3.28Å; T207-S217 WeakPolarHBondContact OG1-CB 3.21Å; T207-S217 PolarHBondContact OG1-N 3.03Å; T207-S217 PolarHBondContact OG1-OG 3.49Å; T207-S217 VanDerWaalsContact OG1-OG 3.13Å
208	K	90.2	Very high	90.9	Very high	94 Å²	94	46.5 Å²	46.5	41%	0.409	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	149.7	-178.4	64.4	170.3	-168.3	162.7	0	111.3	Q206 E210 P214 L215	Q206-K208 PolarHBondContact O-N 2.84Å; K208-E210 WeakPolarHBondContact CE-OE2 3.35Å; K208-E210 IonicContact NZ-OE2 3.17Å; K208-E210 PolarHBondContact NZ-OE2 2.79Å; K208-P214 WeakPolarHBondContact O-CA 3.34Å; K208-L215 HydrophobicContact CG-CB 4.43Å; K208-L215 HydrophobicContact CG-CD1 4.46Å; K208-L215 PolarHBondContact N-O 2.87Å; K208-L215 VanDerWaalsContact N-O 3.07Å; K208-L215 PolarHBondContact O-N 3.12Å
209	I	87.6	Confident	90.8	Very high	132 Å²	132	49.9 Å²	49.9	68%	0.677	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	123	170.9	-58.9	177	0	0	0	108.6	Y213	I209-Y213 CarbonylContact C-O 3.58Å; I209-Y213 WeakPolarHBondContact CA-O 3.47Å
210	E	80.9	Confident	90.7	Very high	85 Å²	85	52.3 Å²	52.3	40%	0.397	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	122.9	175.1	-161.1	-177.1	118.3	0	0	109.9	K208 G212 Y213 L215	K208-E210 WeakPolarHBondContact CE-OE2 3.35Å; K208-E210 IonicContact NZ-OE2 3.17Å; K208-E210 PolarHBondContact NZ-OE2 2.79Å; E210-G212 PolarHBondContact O-N 3.16Å; E210-Y213 PolarHBondContact N-O 2.77Å; E210-Y213 PolarHBondContact O-N 3.32Å; E210-Y213 VanDerWaalsContact O-N 3.11Å; E210-L215 HydrophobicContact CB-CD1 3.95Å; E210-L215 HydrophobicContact CB-CG 4.21Å
211	N	78.6	Confident	90.7	Very high	102 Å²	102	52.7 Å²	52.7	55%	0.545	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	31.6	-174.1	-50.4	-74.9	0	0	0	114.4
212	G	80.3	Confident	90.7	Very high	60 Å²	60	52.3 Å²	52.3	62%	0.619	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	-5.7	-178.1	0	0	0	0	0	115.4	E210	E210-G212 PolarHBondContact O-N 3.16Å
213	Y	74.1	Confident	90.8	Very high	23 Å²	23	56.4 Å²	56.4	9%	0.09	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	135.6	-178	-73.5	-90	0	0	0	112.4	V184 I209 E210 L215 F1082 T1083 V1086	V184-Y213 HydrophobicContact CB-CD1 4.44Å; V184-Y213 HydrophobicContact CG1-CD1 4.24Å; I209-Y213 CarbonylContact C-O 3.58Å; I209-Y213 WeakPolarHBondContact CA-O 3.47Å; E210-Y213 PolarHBondContact N-O 2.77Å; E210-Y213 PolarHBondContact O-N 3.32Å; E210-Y213 VanDerWaalsContact O-N 3.11Å; Y213-L215 PolarHBondContact O-N 2.69Å; Y213-F1082 AromaticContact CE2-CD1 3.47Å; Y213-F1082 HydrophobicContact CE2-CD1 3.47Å; Y213-F1082 VanDerWaalsContact CE2-CD1 3.47Å; Y213-F1082 AromaticContact CE2-CE1 3.66Å; Y213-F1082 HydrophobicContact CE2-CE1 3.66Å; Y213-F1082 HydrophobicContact CE2-CG 4.44Å; Y213-F1082 AromaticContact CZ-CD1 3.72Å; Y213-F1082 WeakPolarHBondContact OH-CB 3.34Å; Y213-F1082 WeakPolarHBondContact OH-CD1 3.09Å; Y213-F1082 PolarHBondContact OH-O 3.22Å; Y213-F1082 VanDerWaalsContact OH-O 3.12Å; Y213-T1083 PolarHBondContact OH-N 3.44Å; Y213-T1083 VanDerWaalsContact OH-N 3.17Å; Y213-V1086 HydrophobicContact CD1-CG2 4.08Å; Y213-V1086 HydrophobicContact CD2-CG2 3.35Å; Y213-V1086 HydrophobicContact CE1-CG2 4.08Å; Y213-V1086 HydrophobicContact CE2-CG2 3.31Å; Y213-V1086 HydrophobicContact CG-CG2 3.72Å
214	P	85.2	Confident	90.8	Very high	32 Å²	32	57.1 Å²	57.1	21%	0.208	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	127.4	170.6	32.2	-34.9	0	0	0	109.8	E185 K208	E185-P214 HydrophobicContact CB-CG 4.18Å; K208-P214 WeakPolarHBondContact O-CA 3.34Å
215	L	89.9	Confident	91	Very high	31 Å²	31	54.2 Å²	54.2	16%	0.162	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	131.9	159.9	-52.3	-176.3	0	0	0	106.7	H204 T207 K208 E210 Y213	H204-L215 HydrophobicContact CB-CB 4.18Å; T207-L215 WeakPolarHBondContact CA-O 3.28Å; K208-L215 HydrophobicContact CG-CB 4.43Å; K208-L215 HydrophobicContact CG-CD1 4.46Å; K208-L215 PolarHBondContact N-O 2.87Å; K208-L215 VanDerWaalsContact N-O 3.07Å; K208-L215 PolarHBondContact O-N 3.12Å; E210-L215 HydrophobicContact CB-CD1 3.95Å; E210-L215 HydrophobicContact CB-CG 4.21Å; Y213-L215 PolarHBondContact O-N 2.69Å
216	H	93.6	Very high	91.3	Very high	26 Å²	26	57.6 Å²	57.6	12%	0.12	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-96.9	136.1	-172.6	-65.7	-69.1	0	0	0	112.6	V184 E185 G187 P203 H204 A220 Y221	V184-H216 PolarHBondContact O-NE2 2.74Å; E185-H216 PolarHBondContact O-CE1 3.12Å; E185-H216 PolarHBondContact O-NE2 3.5Å; G187-H216 PolarHBondContact N-NE2 3.13Å; P203-H216 CarbonylContact C-O 3.6Å; P203-H216 WeakPolarHBondContact CA-O 3.24Å; H204-H216 PolarHBondContact N-O 2.76Å; H216-A220 HydrophobicContact CB-CB 4.05Å; H216-Y221 HydrophobicContact CB-CE2 3.64Å
217	S	96.6	Very high	91.6	Very high	9 Å²	9	58.1 Å²	58.1	6%	0.063	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-80	164.4	164.4	76.4	0	0	0	0	111.6	H204 T207 E219 A220 Y221	H204-S217 WeakPolarHBondContact O-CA 3.34Å; T207-S217 WeakPolarHBondContact OG1-CB 3.21Å; T207-S217 PolarHBondContact OG1-N 3.03Å; T207-S217 PolarHBondContact OG1-OG 3.49Å; T207-S217 VanDerWaalsContact OG1-OG 3.13Å; S217-E219 VanDerWaalsContact CB-OE2 3.28Å; S217-E219 WeakPolarHBondContact CB-OE2 3.5Å; S217-E219 PolarHBondContact O-N 3.47Å; S217-E219 VanDerWaalsContact O-N 3.11Å; S217-E219 PolarHBondContact OG-OE2 2.82Å; S217-A220 WeakPolarHBondContact O-CB 3.11Å; S217-A220 PolarHBondContact O-N 2.8Å; S217-A220 VanDerWaalsContact O-N 3.16Å; S217-Y221 WeakPolarHBondContact O-CD2 3.47Å
218	P	97.8	Very high	91.9	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-47.3	-39.6	177.8	-34.2	40.2	0	0	0	114.8	P203 A220 Y221 F222 Y241 R245 F246	P203-P218 HydrophobicContact CB-CG 4.09Å; P218-A220 VanDerWaalsContact C-N 3.27Å; P218-A220 PolarHBondContact O-N 3.4Å; P218-Y221 WeakPolarHBondContact O-CB 3.49Å; P218-Y221 PolarHBondContact O-N 3.07Å; P218-F222 HydrophobicContact CB-CE1 3.79Å; P218-F222 HydrophobicContact CB-CZ 4.07Å; P218-F222 WeakPolarHBondContact O-CD1 3.47Å; P218-F222 WeakPolarHBondContact O-CE1 3.48Å; P218-Y241 HydrophobicContact CG-CD2 3.77Å; P218-Y241 HydrophobicContact CG-CE2 4.33Å; P218-Y241 HydrophobicContact CG-CG 4.06Å; P218-R245 HydrophobicContact CB-CB 4.12Å; P218-R245 HydrophobicContact CG-CB 4.14Å; P218-F246 HydrophobicContact CB-CD1 4.42Å; P218-F246 HydrophobicContact CB-CD2 4.05Å; P218-F246 HydrophobicContact CB-CE1 4.05Å; P218-F246 HydrophobicContact CB-CE2 3.66Å; P218-F246 HydrophobicContact CB-CG 4.42Å; P218-F246 HydrophobicContact CB-CZ 3.65Å; P218-F246 HydrophobicContact CG-CD2 4.33Å; P218-F246 HydrophobicContact CG-CE2 3.88Å; P218-F246 HydrophobicContact CG-CZ 4.29Å
219	E	97.4	Very high	92.2	Very high	70 Å²	70	58.6 Å²	58.6	33%	0.327	31%	0.307	S	S	.	.	H	α-helix	trans	-59.7	-33.6	-176.3	-65.6	75.8	-178.5	0	0	113.4	S217 Y221 F222 R245	S217-E219 VanDerWaalsContact CB-OE2 3.28Å; S217-E219 WeakPolarHBondContact CB-OE2 3.5Å; S217-E219 PolarHBondContact O-N 3.47Å; S217-E219 VanDerWaalsContact O-N 3.11Å; S217-E219 PolarHBondContact OG-OE2 2.82Å; E219-Y221 PolarHBondContact O-N 3.4Å; E219-F222 HydrophobicContact CB-CD2 4.28Å; E219-F222 HydrophobicContact CB-CE2 4.12Å; E219-F222 HydrophobicContact CB-CZ 4.44Å; E219-F222 HydrophobicContact CG-CD2 4.28Å; E219-F222 HydrophobicContact CG-CE2 3.68Å; E219-F222 HydrophobicContact CG-CZ 4.02Å; E219-F222 PolarHBondContact O-N 2.94Å; E219-F222 VanDerWaalsContact O-N 3.1Å; E219-R245 IonicContact OE1-CZ 2.65Å; E219-R245 IonicContact OE1-NE 2.81Å; E219-R245 PolarHBondContact OE1-NE 3.11Å; E219-R245 IonicContact OE1-NH2 3.09Å; E219-R245 PolarHBondContact OE1-NH2 3.23Å; E219-R245 IonicContact OE2-CZ 2.67Å; E219-R245 IonicContact OE2-NE 2.79Å; E219-R245 PolarHBondContact OE2-NE 3.04Å; E219-R245 IonicContact OE2-NH2 3.71Å; E219-R245 PolarHBondContact OE2-NH2 2.82Å
220	A	96	Very high	92.7	Very high	53 Å²	53	52.5 Å²	52.5	44%	0.438	28%	0.276	S	S	.	.	H	α-helix	trans	-60.2	-29.2	178	0	0	0	0	0	112.2	H216 S217 P218	H216-A220 HydrophobicContact CB-CB 4.05Å; S217-A220 WeakPolarHBondContact O-CB 3.11Å; S217-A220 PolarHBondContact O-N 2.8Å; S217-A220 VanDerWaalsContact O-N 3.16Å; P218-A220 VanDerWaalsContact C-N 3.27Å; P218-A220 PolarHBondContact O-N 3.4Å
221	Y	97.7	Very high	93.6	Very high	9 Å²	9	50.4 Å²	50.4	4%	0.035	27%	0.269	C	S	.	.	H	α-helix	trans	-84.2	-20.8	179.1	-60.1	-88.9	0	0	0	113.1	G187 L189 F200 P203 H216 S217 P218 E219 Y224 F225	G187-Y221 WeakPolarHBondContact O-CE1 3.35Å; G187-Y221 PolarHBondContact O-OH 3.48Å; L189-Y221 HydrophobicContact CD2-CD1 3.93Å; L189-Y221 HydrophobicContact CD2-CE1 4.07Å; F200-Y221 HydrophobicContact CD2-CD1 4.01Å; F200-Y221 AromaticContact CD2-CE1 3.63Å; F200-Y221 HydrophobicContact CD2-CE1 3.63Å; F200-Y221 AromaticContact CD2-CZ 3.98Å; F200-Y221 HydrophobicContact CE2-CD1 4.27Å; F200-Y221 HydrophobicContact CE2-CE1 4.19Å; F200-Y221 HydrophobicContact CE2-CG 4.48Å; P203-Y221 HydrophobicContact CB-CE2 4.18Å; P203-Y221 HydrophobicContact CG-CD2 4.18Å; P203-Y221 HydrophobicContact CG-CE2 3.77Å; H216-Y221 HydrophobicContact CB-CE2 3.64Å; S217-Y221 WeakPolarHBondContact O-CD2 3.47Å; P218-Y221 WeakPolarHBondContact O-CB 3.49Å; P218-Y221 PolarHBondContact O-N 3.07Å; E219-Y221 PolarHBondContact O-N 3.4Å; Y221-Y224 PolarHBondContact O-N 2.88Å; Y221-F225 AromaticContact CD1-CE1 3.95Å; Y221-F225 HydrophobicContact CD1-CE1 3.95Å; Y221-F225 AromaticContact CD1-CZ 3.83Å; Y221-F225 HydrophobicContact CD1-CZ 3.83Å; Y221-F225 HydrophobicContact CG-CE1 4.32Å; Y221-F225 HydrophobicContact CG-CE2 4.32Å; Y221-F225 AromaticContact CG-CZ 3.96Å; Y221-F225 HydrophobicContact CG-CZ 3.96Å; Y221-F225 VanDerWaalsContact O-CB 3.3Å; Y221-F225 WeakPolarHBondContact O-CB 3.49Å; Y221-F225 WeakPolarHBondContact O-CD1 3.18Å; Y221-F225 VanDerWaalsContact O-CG 3.29Å; Y221-F225 WeakPolarHBondContact O-CG 3.21Å; Y221-F225 PolarHBondContact O-N 3.4Å
222	F	97.7	Very high	94.5	Very high	23 Å²	23	45.7 Å²	45.7	10%	0.101	24%	0.244	C	C	.	.	H	α-helix	trans	-58.7	-42.2	-170.4	-63.2	-5	0	0	0	114.7	P218 E219 R226 R245 F246 A249 F251	P218-F222 HydrophobicContact CB-CE1 3.79Å; P218-F222 HydrophobicContact CB-CZ 4.07Å; P218-F222 WeakPolarHBondContact O-CD1 3.47Å; P218-F222 WeakPolarHBondContact O-CE1 3.48Å; E219-F222 HydrophobicContact CB-CD2 4.28Å; E219-F222 HydrophobicContact CB-CE2 4.12Å; E219-F222 HydrophobicContact CB-CZ 4.44Å; E219-F222 HydrophobicContact CG-CD2 4.28Å; E219-F222 HydrophobicContact CG-CE2 3.68Å; E219-F222 HydrophobicContact CG-CZ 4.02Å; E219-F222 PolarHBondContact O-N 2.94Å; E219-F222 VanDerWaalsContact O-N 3.1Å; F222-R226 WeakPolarHBondContact O-CB 3.28Å; F222-R226 WeakPolarHBondContact O-CG 3.47Å; F222-R226 PolarHBondContact O-N 3.1Å; F222-R245 VanDerWaalsContact CZ-O 3.23Å; F222-R245 WeakPolarHBondContact CZ-O 3.48Å; F222-F246 HydrophobicContact CD1-CD1 4.18Å; F222-F246 HydrophobicContact CD1-CE1 4.07Å; F222-F246 AromaticContact CE1-CD1 3.56Å; F222-F246 HydrophobicContact CE1-CD1 3.56Å; F222-F246 AromaticContact CE1-CE1 3.68Å; F222-F246 HydrophobicContact CE1-CE1 3.68Å; F222-F246 HydrophobicContact CE1-CG 4.38Å; F222-A249 HydrophobicContact CD1-CB 4.49Å; F222-A249 HydrophobicContact CD2-CB 3.77Å; F222-A249 HydrophobicContact CE1-CB 4.09Å; F222-A249 HydrophobicContact CE2-CB 3.29Å; F222-A249 HydrophobicContact CG-CB 4.36Å; F222-A249 HydrophobicContact CZ-CB 3.49Å; F222-A249 VanDerWaalsContact CZ-CB 3.49Å; F222-F251 HydrophobicContact CB-CE2 4.31Å; F222-F251 HydrophobicContact CB-CZ 4.44Å; F222-F251 HydrophobicContact CD1-CD2 4.35Å; F222-F251 AromaticContact CD1-CE2 3.55Å; F222-F251 HydrophobicContact CD1-CE2 3.55Å; F222-F251 HydrophobicContact CD1-CZ 4.27Å; F222-F251 HydrophobicContact CE1-CD2 4.43Å; F222-F251 HydrophobicContact CE1-CE2 4.04Å; F222-F251 AromaticContact CG-CE2 3.91Å; F222-F251 HydrophobicContact CG-CE2 3.91Å
223	P	97.4	Very high	95.4	Very high	90 Å²	90	42.9 Å²	42.9	58%	0.584	22%	0.215	S	C	*	.	H	α-helix	trans	-63.2	-45.4	-179.3	-21.7	34.1	0	0	0	111.7	K227	P223-K227 WeakPolarHBondContact O-CB 3.38Å; P223-K227 PolarHBondContact O-N 3.07Å
224	Y	97.8	Very high	96.6	Very high	16 Å²	16	41.8 Å²	41.8	6%	0.063	21%	0.21	C	C	.	.	H	α-helix	trans	-69	-43.1	179	-174.6	-108.1	0	0	0	112.2	E177 F181 L189 W191 L198 Y221 R226 K227 R228	E177-Y224 VanDerWaalsContact CD-CE2 3.49Å; E177-Y224 HydrophobicContact CG-CE2 4.06Å; E177-Y224 VanDerWaalsContact OE1-CE2 3.31Å; E177-Y224 WeakPolarHBondContact OE1-CE2 3.25Å; E177-Y224 PolarHBondContact OE1-OH 3.22Å; F181-Y224 HydrophobicContact CD2-CD2 4.27Å; F181-Y224 AromaticContact CD2-CE2 3.85Å; F181-Y224 HydrophobicContact CD2-CE2 3.85Å; F181-Y224 HydrophobicContact CE1-CD1 4.46Å; F181-Y224 HydrophobicContact CE1-CD2 4.19Å; F181-Y224 HydrophobicContact CE1-CG 4.08Å; F181-Y224 AromaticContact CE2-CD2 3.45Å; F181-Y224 HydrophobicContact CE2-CD2 3.45Å; F181-Y224 VanDerWaalsContact CE2-CD2 3.45Å; F181-Y224 AromaticContact CE2-CE2 3.36Å; F181-Y224 HydrophobicContact CE2-CE2 3.36Å; F181-Y224 HydrophobicContact CE2-CG 4.13Å; F181-Y224 AromaticContact CE2-CZ 3.99Å; F181-Y224 HydrophobicContact CZ-CD1 4.43Å; F181-Y224 AromaticContact CZ-CD2 3.4Å; F181-Y224 HydrophobicContact CZ-CD2 3.4Å; F181-Y224 VanDerWaalsContact CZ-CD2 3.4Å; F181-Y224 AromaticContact CZ-CE2 3.84Å; F181-Y224 HydrophobicContact CZ-CE2 3.84Å; F181-Y224 AromaticContact CZ-CG 3.74Å; F181-Y224 HydrophobicContact CZ-CG 3.74Å; L189-Y224 HydrophobicContact CD1-CD1 4.08Å; L189-Y224 HydrophobicContact CD1-CE1 3.53Å; L189-Y224 HydrophobicContact CD2-CD1 4.12Å; L189-Y224 HydrophobicContact CD2-CE1 4.4Å; W191-Y224 AromaticContact NE1-CZ 3.95Å; W191-Y224 PolarHBondContact NE1-OH 3.31Å; L198-Y224 HydrophobicContact CD2-CE1 4.45Å; Y221-Y224 PolarHBondContact O-N 2.88Å; Y224-R226 VanDerWaalsContact C-N 3.31Å; Y224-R226 PolarHBondContact O-N 3.02Å; Y224-K227 HydrophobicContact CD2-CD 4.46Å; Y224-K227 WeakPolarHBondContact O-CB 3.2Å; Y224-K227 PolarHBondContact O-N 3.33Å; Y224-R228 HydrophobicContact CD2-CG 4.34Å; Y224-R228 HydrophobicContact CE1-CG 4.22Å; Y224-R228 HydrophobicContact CE2-CG 3.76Å; Y224-R228 PolarHBondContact O-N 2.83Å
225	F	98.3	Very high	97.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60	-40.7	177.5	-77.4	9.7	0	0	0	111.6	L189 L198 F200 Y221 R228 N229 V230 I233 F246 F251 A284	L189-F225 HydrophobicContact CD2-CE1 4.47Å; L198-F225 HydrophobicContact CD2-CD1 4.12Å; L198-F225 HydrophobicContact CD2-CE1 3.49Å; L198-F225 VanDerWaalsContact CD2-CE1 3.49Å; L198-F225 HydrophobicContact CD2-CZ 4.28Å; F200-F225 HydrophobicContact CD1-CZ 4.37Å; F200-F225 HydrophobicContact CD2-CZ 4.13Å; F200-F225 HydrophobicContact CE1-CZ 4.11Å; F200-F225 HydrophobicContact CE2-CE2 4.32Å; F200-F225 AromaticContact CE2-CZ 3.83Å; F200-F225 HydrophobicContact CE2-CZ 3.83Å; F200-F225 HydrophobicContact CG-CZ 4.4Å; F200-F225 HydrophobicContact CZ-CE2 4.09Å; F200-F225 AromaticContact CZ-CZ 3.82Å; F200-F225 HydrophobicContact CZ-CZ 3.82Å; Y221-F225 AromaticContact CD1-CE1 3.95Å; Y221-F225 HydrophobicContact CD1-CE1 3.95Å; Y221-F225 AromaticContact CD1-CZ 3.83Å; Y221-F225 HydrophobicContact CD1-CZ 3.83Å; Y221-F225 HydrophobicContact CG-CE1 4.32Å; Y221-F225 HydrophobicContact CG-CE2 4.32Å; Y221-F225 AromaticContact CG-CZ 3.96Å; Y221-F225 HydrophobicContact CG-CZ 3.96Å; Y221-F225 VanDerWaalsContact O-CB 3.3Å; Y221-F225 WeakPolarHBondContact O-CB 3.49Å; Y221-F225 WeakPolarHBondContact O-CD1 3.18Å; Y221-F225 VanDerWaalsContact O-CG 3.29Å; Y221-F225 WeakPolarHBondContact O-CG 3.21Å; Y221-F225 PolarHBondContact O-N 3.4Å; F225-R228 CarbonylContact O-C 3.58Å; F225-N229 PolarHBondContact O-N 3.38Å; F225-V230 HydrophobicContact CB-CB 3.84Å; F225-V230 HydrophobicContact CB-CG1 4.3Å; F225-V230 HydrophobicContact CB-CG2 4.26Å; F225-V230 HydrophobicContact CD1-CG2 4.18Å; F225-V230 HydrophobicContact CD2-CG1 4.09Å; F225-V230 HydrophobicContact CG-CB 4.07Å; F225-V230 HydrophobicContact CG-CG1 4.11Å; F225-V230 HydrophobicContact CG-CG2 4.23Å; F225-V230 WeakPolarHBondContact O-CB 3.28Å; F225-V230 PolarHBondContact O-N 2.88Å; F225-I233 HydrophobicContact CD2-CD1 3.74Å; F225-I233 HydrophobicContact CE2-CD1 3.53Å; F225-F246 HydrophobicContact CD2-CE1 4.08Å; F225-F246 AromaticContact CE2-CE1 3.82Å; F225-F246 HydrophobicContact CE2-CE1 3.82Å; F225-F246 HydrophobicContact CE2-CZ 4.24Å; F225-F251 HydrophobicContact CB-CE1 3.72Å; F225-F251 HydrophobicContact CB-CZ 3.8Å; F225-F251 HydrophobicContact CD2-CE1 4.47Å; F225-A284 HydrophobicContact CE1-CB 4.37Å; F225-A284 HydrophobicContact CE2-CB 4.1Å; F225-A284 HydrophobicContact CZ-CB 3.87Å
226	R	97.7	Very high	97.6	Very high	144 Å²	144	38.9 Å²	38.9	54%	0.543	19%	0.193	S	C	.	.	H	α-helix	trans	-67.9	-47.3	173	-69.9	170.1	-175.1	153.4	-0.9	112.1	F222 Y224 R228 N229 A249 F251	F222-R226 WeakPolarHBondContact O-CB 3.28Å; F222-R226 WeakPolarHBondContact O-CG 3.47Å; F222-R226 PolarHBondContact O-N 3.1Å; Y224-R226 VanDerWaalsContact C-N 3.31Å; Y224-R226 PolarHBondContact O-N 3.02Å; R226-R228 PolarHBondContact O-N 3.13Å; R226-R228 VanDerWaalsContact O-N 3.15Å; R226-N229 PolarHBondContact O-N 3.09Å; R226-N229 VanDerWaalsContact O-N 3.17Å; R226-A249 PolarHBondContact NH2-O 3.23Å; R226-F251 HydrophobicContact CG-CE1 4.36Å; R226-F251 HydrophobicContact CG-CZ 3.98Å
227	K	97.1	Very high	97.8	Very high	141 Å²	141	38.1 Å²	38.1	61%	0.613	19%	0.19	S	C	*	.	H	α-helix	trans	-52.4	-35.6	176.1	-175.3	-164.4	175.4	-163.8	0	112.4	E177 P223 Y224	E177-K227 IonicContact OE2-NZ 3.16Å; E177-K227 PolarHBondContact OE2-NZ 2.82Å; P223-K227 WeakPolarHBondContact O-CB 3.38Å; P223-K227 PolarHBondContact O-N 3.07Å; Y224-K227 HydrophobicContact CD2-CD 4.46Å; Y224-K227 WeakPolarHBondContact O-CB 3.2Å; Y224-K227 PolarHBondContact O-N 3.33Å
228	R	97	Very high	97.7	Very high	78 Å²	78	43.7 Å²	43.7	29%	0.294	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	24.8	-177.2	-63.6	-66.3	-170.7	-172	-2.3	114.6	E177 W191 Y224 F225 R226 V230	E177-R228 IonicContact OE1-CZ 2.83Å; E177-R228 VanDerWaalsContact OE1-CZ 3.24Å; E177-R228 IonicContact OE1-NE 2.88Å; E177-R228 PolarHBondContact OE1-NE 2.98Å; E177-R228 IonicContact OE1-NH2 2.64Å; E177-R228 PolarHBondContact OE1-NH2 3.5Å; E177-R228 IonicContact OE2-CZ 3.96Å; E177-R228 IonicContact OE2-NE 2.66Å; E177-R228 IonicContact OE2-NH2 2.64Å; E177-R228 PolarHBondContact OE2-NH2 2.78Å; W191-R228 HydrophobicContact CH2-CB 4.19Å; W191-R228 HydrophobicContact CZ2-CB 3.62Å; W191-R228 HydrophobicContact CZ2-CG 4.06Å; Y224-R228 HydrophobicContact CD2-CG 4.34Å; Y224-R228 HydrophobicContact CE1-CG 4.22Å; Y224-R228 HydrophobicContact CE2-CG 3.76Å; Y224-R228 PolarHBondContact O-N 2.83Å; F225-R228 CarbonylContact O-C 3.58Å; R226-R228 PolarHBondContact O-N 3.13Å; R226-R228 VanDerWaalsContact O-N 3.15Å; R228-V230 PolarHBondContact O-N 3.06Å; R228-V230 VanDerWaalsContact O-N 3.12Å
229	N	97.6	Very high	97.7	Very high	106 Å²	106	51 Å²	51	57%	0.567	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	37.1	174.3	-167	27	0	0	0	114.8	F225 R226 T231 A282	F225-N229 PolarHBondContact O-N 3.38Å; R226-N229 PolarHBondContact O-N 3.09Å; R226-N229 VanDerWaalsContact O-N 3.17Å; N229-T231 PolarHBondContact O-N 3.48Å; N229-A282 PolarHBondContact O-N 3.26Å
230	V	98.6	Very high	97.5	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.03	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	119.7	169	176.3	0	0	0	0	107.8	W191 F225 R228 I233 F251 A282 A284	W191-V230 HydrophobicContact CH2-CG2 4.31Å; F225-V230 HydrophobicContact CB-CB 3.84Å; F225-V230 HydrophobicContact CB-CG1 4.3Å; F225-V230 HydrophobicContact CB-CG2 4.26Å; F225-V230 HydrophobicContact CD1-CG2 4.18Å; F225-V230 HydrophobicContact CD2-CG1 4.09Å; F225-V230 HydrophobicContact CG-CB 4.07Å; F225-V230 HydrophobicContact CG-CG1 4.11Å; F225-V230 HydrophobicContact CG-CG2 4.23Å; F225-V230 WeakPolarHBondContact O-CB 3.28Å; F225-V230 PolarHBondContact O-N 2.88Å; R228-V230 PolarHBondContact O-N 3.06Å; R228-V230 VanDerWaalsContact O-N 3.12Å; V230-I233 HydrophobicContact CG1-CD1 3.86Å; V230-F251 VanDerWaalsContact O-CD1 3.24Å; V230-F251 WeakPolarHBondContact O-CD1 3.41Å; V230-F251 VanDerWaalsContact O-CE1 3.24Å; V230-F251 WeakPolarHBondContact O-CE1 3.41Å; V230-A282 WeakPolarHBondContact CA-O 3.35Å; V230-A282 HydrophobicContact CG2-CB 4.03Å; V230-A284 HydrophobicContact CG1-CB 3.72Å
231	T	98.4	Very high	97.6	Very high	40 Å²	40	48.4 Å²	48.4	25%	0.245	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-25.1	-179.5	55.1	0	0	0	0	112.4	N229 F251 A252 V279 A282	N229-T231 PolarHBondContact O-N 3.48Å; T231-F251 WeakPolarHBondContact O-CA 3.45Å; T231-A252 PolarHBondContact O-N 3.16Å; T231-V279 WeakPolarHBondContact OG1-CG1 3.23Å; T231-A282 PolarHBondContact N-O 3.27Å
232	T	98.7	Very high	97.6	Very high	4 Å²	4	52.1 Å²	52.1	3%	0.025	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	133.4	-171	-63.1	0	0	0	0	112	I234 A252 Y254 I275 V279 A282 I283 A284	T232-I234 HydrophobicContact CG2-CG1 4.17Å; T232-A252 WeakPolarHBondContact CA-O 3.19Å; T232-A252 HydrophobicContact CG2-CB 4.42Å; T232-Y254 HydrophobicContact CG2-CD2 3.63Å; T232-Y254 HydrophobicContact CG2-CE2 3.59Å; T232-I275 HydrophobicContact CG2-CG2 4.31Å; T232-V279 HydrophobicContact CG2-CG2 4.22Å; T232-V279 WeakPolarHBondContact OG1-CG1 3.13Å; T232-V279 VanDerWaalsContact OG1-CG2 3.3Å; T232-V279 WeakPolarHBondContact OG1-CG2 3.07Å; T232-A282 PolarHBondContact N-O 2.66Å; T232-I283 HydrophobicContact CG2-CG2 4.34Å; T232-I283 WeakPolarHBondContact O-CA 3.39Å; T232-A284 PolarHBondContact O-N 3.43Å
233	I	98.7	Very high	97.6	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.3	174.9	-47.1	-56.7	0	0	0	109.3	F200 F225 V230 F246 F251 A252 H253 Y254 A284	F200-I233 HydrophobicContact CZ-CG2 4.21Å; F225-I233 HydrophobicContact CD2-CD1 3.74Å; F225-I233 HydrophobicContact CE2-CD1 3.53Å; V230-I233 HydrophobicContact CG1-CD1 3.86Å; I233-F246 HydrophobicContact CD1-CD1 4.14Å; I233-F246 HydrophobicContact CD1-CE1 4.08Å; I233-F246 HydrophobicContact CG1-CB 4.26Å; I233-F246 HydrophobicContact CG1-CD1 3.71Å; I233-F246 HydrophobicContact CG1-CD2 4.3Å; I233-F246 HydrophobicContact CG1-CE1 4.05Å; I233-F246 HydrophobicContact CG1-CG 3.85Å; I233-F246 HydrophobicContact CG1-CZ 4.48Å; I233-F246 HydrophobicContact CG2-CD2 4.26Å; I233-F246 HydrophobicContact CG2-CE2 4.16Å; I233-F246 HydrophobicContact CG2-CZ 4.45Å; I233-F251 HydrophobicContact CG1-CB 4.03Å; I233-A252 PolarHBondContact N-O 2.8Å; I233-H253 WeakPolarHBondContact O-CA 3.45Å; I233-Y254 PolarHBondContact O-N 3.36Å; I233-A284 WeakPolarHBondContact CA-O 3.45Å; I233-A284 HydrophobicContact CD1-CB 3.89Å
234	I	98.8	Very high	97.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	119.8	174.2	-54.4	-178.5	0	0	0	109.5	T232 L236 L256 F272 I275 I283 A284 V285 H286	T232-I234 HydrophobicContact CG2-CG1 4.17Å; I234-L236 HydrophobicContact CG2-CD2 3.82Å; I234-L256 HydrophobicContact CG2-CB 4.37Å; I234-L256 HydrophobicContact CG2-CD1 3.96Å; I234-L256 HydrophobicContact CG2-CG 4.24Å; I234-F272 HydrophobicContact CD1-CD2 3.86Å; I234-F272 HydrophobicContact CD1-CE2 3.77Å; I234-F272 HydrophobicContact CG2-CD2 4.26Å; I234-F272 HydrophobicContact CG2-CE2 4.45Å; I234-I275 HydrophobicContact CD1-CG2 3.94Å; I234-I283 HydrophobicContact CD1-CG2 3.75Å; I234-I283 HydrophobicContact CG1-CG2 3.99Å; I234-A284 PolarHBondContact N-O 3.18Å; I234-V285 HydrophobicContact CB-CG1 4.34Å; I234-V285 HydrophobicContact CB-CG2 4.31Å; I234-V285 HydrophobicContact CD1-CG2 4.47Å; I234-H286 PolarHBondContact O-N 3.49Å
235	R	98.8	Very high	97.6	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.008	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.3	178.7	176.1	161.1	62.1	-163.3	-2.2	111.5	N237 Y241 Y254 D255 L256 H286	R235-N237 VanDerWaalsContact CG-OD1 3.29Å; R235-N237 WeakPolarHBondContact CG-OD1 3.31Å; R235-Y241 VanDerWaalsContact NH1-CE2 3.25Å; R235-Y241 VanDerWaalsContact NH1-CZ 3.28Å; R235-Y241 PolarHBondContact NH1-O 3.43Å; R235-Y254 PolarHBondContact N-O 3.4Å; R235-D255 IonicContact CZ-OD1 2.8Å; R235-D255 IonicContact NE-OD1 3.36Å; R235-D255 PolarHBondContact NE-OD1 3.07Å; R235-D255 IonicContact NH2-OD1 3.96Å; R235-D255 PolarHBondContact NH2-OD1 2.96Å; R235-D255 IonicContact NH2-OD2 2.98Å; R235-D255 PolarHBondContact NH2-OD2 2.97Å; R235-D255 VanDerWaalsContact NH2-OD2 3.09Å; R235-L256 CarbonylContact O-C 3.35Å; R235-L256 PolarHBondContact O-N 3.11Å; R235-H286 WeakPolarHBondContact CB-NE2 3.35Å; R235-H286 VanDerWaalsContact CG-CE1 3.42Å; R235-H286 WeakPolarHBondContact CG-CE1 3.47Å
236	L	98.7	Very high	97.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.259	C	S	.	.			trans	-108.6	-1.8	-178.4	-49.7	179.6	0	0	0	113.9	I234 L256 F258 V285 H286 C287 R293 L297	I234-L236 HydrophobicContact CG2-CD2 3.82Å; L236-L256 HydrophobicContact CD2-CB 3.86Å; L236-L256 WeakPolarHBondContact CD2-O 3.27Å; L236-F258 HydrophobicContact CB-CE1 4.18Å; L236-F258 HydrophobicContact CD1-CE1 4.21Å; L236-F258 HydrophobicContact CD2-CE1 4.25Å; L236-F258 HydrophobicContact CG-CE1 4.45Å; L236-F258 PolarHBondContact O-N 2.82Å; L236-V285 HydrophobicContact CD1-CG1 3.8Å; L236-V285 HydrophobicContact CG-CG1 4.19Å; L236-H286 WeakPolarHBondContact CB-O 3.15Å; L236-H286 WeakPolarHBondContact CG-O 3.05Å; L236-H286 PolarHBondContact N-O 3.41Å; L236-C287 HydrophobicContact CB-CB 3.96Å; L236-R293 HydrophobicContact CB-CB 4.44Å; L236-R293 HydrophobicContact CD1-CB 4.17Å; L236-R293 WeakPolarHBondContact CD1-O 3.36Å; L236-R293 PolarHBondContact O-NH1 2.67Å; L236-L297 HydrophobicContact CD1-CD1 3.95Å; L236-L297 HydrophobicContact CD2-CD1 3.62Å; L236-L297 HydrophobicContact CG-CD1 4.44Å
237	N	96.7	Very high	97.6	Very high	10 Å²	10	52.7 Å²	52.7	5%	0.053	25%	0.253	C	S	.	.	S	Bend	trans	-115.8	172.3	-177.1	70.2	-40.5	0	0	0	113.9	R235 F257 H286 C287	R235-N237 VanDerWaalsContact CG-OD1 3.29Å; R235-N237 WeakPolarHBondContact CG-OD1 3.31Å; N237-F257 VanDerWaalsContact C-CD2 3.44Å; N237-H286 PolarHBondContact OD1-CE1 3.08Å; N237-H286 PolarHBondContact OD1-ND1 3.38Å; N237-C287 VanDerWaalsContact CG-C 3.49Å; N237-C287 PolarHBondContact ND2-O 3.45Å; N237-C287 PolarHBondContact OD1-O 2.86Å
238	K	95.8	Very high	97.7	Very high	127 Å²	127	52.5 Å²	52.5	55%	0.552	26%	0.259	S	S	*	.			trans	-48.8	144.2	172.3	-64.3	174.3	176	173.6	0	109.6	V240 F257 D1097	K238-V240 WeakPolarHBondContact O-CG2 3.27Å; K238-V240 PolarHBondContact O-N 2.74Å; K238-F257 HydrophobicContact CG-CE2 3.86Å; K238-F257 HydrophobicContact CG-CZ 4.21Å; K238-D1097 IonicContact NZ-OD2 2.73Å; K238-D1097 PolarHBondContact NZ-OD2 3.16Å
239	K	96.2	Very high	97.7	Very high	152 Å²	152	49.7 Å²	49.7	66%	0.661	25%	0.252	S	S	*	.			trans	-73.5	84.1	-172.9	-51.3	-166.8	-170.8	-155.2	0	111.8	Y241 D255	K239-Y241 VanDerWaalsContact C-N 3.3Å; K239-D255 WeakPolarHBondContact CE-OD2 3.4Å; K239-D255 IonicContact NZ-OD2 2.74Å; K239-D255 PolarHBondContact NZ-OD2 2.92Å
240	V	94.3	Very high	97.7	Very high	60 Å²	60	47.9 Å²	47.9	36%	0.364	26%	0.258	S	S	.	.	S	Bend	trans	-76.9	-16.2	178.9	-173.1	0	0	0	0	112.6	S205 K238	S205-V240 WeakPolarHBondContact CB-O 3.21Å; S205-V240 PolarHBondContact N-O 3.38Å; K238-V240 WeakPolarHBondContact O-CG2 3.27Å; K238-V240 PolarHBondContact O-N 2.74Å
241	Y	97.3	Very high	97.7	Very high	9 Å²	9	48 Å²	48	4%	0.035	26%	0.259	C	S	.	.	S	Bend	trans	-139.8	161.5	177.4	66.2	-90.4	0	0	0	110.3	P203 P218 R235 K239 F246 H253 H286	P203-Y241 HydrophobicContact CB-CD1 3.93Å; P203-Y241 HydrophobicContact CB-CE1 4.06Å; P203-Y241 HydrophobicContact CB-CG 4.47Å; P203-Y241 HydrophobicContact CG-CE1 4.14Å; P203-Y241 VanDerWaalsContact O-CD1 3.29Å; P203-Y241 WeakPolarHBondContact O-CD1 3.42Å; P218-Y241 HydrophobicContact CG-CD2 3.77Å; P218-Y241 HydrophobicContact CG-CE2 4.33Å; P218-Y241 HydrophobicContact CG-CG 4.06Å; R235-Y241 VanDerWaalsContact NH1-CE2 3.25Å; R235-Y241 VanDerWaalsContact NH1-CZ 3.28Å; R235-Y241 PolarHBondContact NH1-O 3.43Å; K239-Y241 VanDerWaalsContact C-N 3.3Å; Y241-F246 HydrophobicContact CD2-CD2 4.46Å; Y241-F246 HydrophobicContact CD2-CE2 4.43Å; Y241-F246 AromaticContact CE2-CD2 3.62Å; Y241-F246 HydrophobicContact CE2-CD2 3.62Å; Y241-F246 AromaticContact CE2-CE2 3.64Å; Y241-F246 HydrophobicContact CE2-CE2 3.64Å; Y241-F246 AromaticContact CZ-CE2 3.75Å; Y241-H253 AromaticContact CE2-NE2 3.77Å; Y241-H253 AromaticContact CZ-NE2 3.74Å; Y241-H253 PolarHBondContact OH-NE2 3.31Å; Y241-H286 AromaticContact CE1-CE1 3.6Å; Y241-H286 AromaticContact CE1-NE2 3.48Å; Y241-H286 WeakPolarHBondContact CE1-NE2 3.29Å; Y241-H286 AromaticContact CZ-NE2 3.51Å; Y241-H286 PolarHBondContact OH-NE2 2.7Å
242	D	97.6	Very high	97.7	Very high	88 Å²	88	48 Å²	48	47%	0.471	26%	0.262	S	S	.	.			trans	-78.3	125.9	172.9	-171.3	-3.8	0	0	0	111.1	K244 R245	D242-K244 PolarHBondContact O-N 3.22Å; D242-K244 VanDerWaalsContact O-N 3.17Å; D242-K244 WeakPolarHBondContact OD1-CG 3.37Å; D242-K244 PolarHBondContact OD1-N 2.71Å; D242-K244 WeakPolarHBondContact OD2-CD 3.25Å; D242-R245 WeakPolarHBondContact O-CG 3.33Å; D242-R245 PolarHBondContact O-N 3.31Å; D242-R245 VanDerWaalsContact O-N 3.17Å
243	A	97.9	Very high	97.7	Very high	19 Å²	19	49.2 Å²	49.2	16%	0.157	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-30	175.4	0	0	0	0	0	112.5	R245 F246 T247 H253	A243-R245 PolarHBondContact O-N 2.83Å; A243-F246 PolarHBondContact O-N 3.03Å; A243-T247 PolarHBondContact O-N 2.88Å; A243-H253 HydrophobicContact CB-CB 4.46Å; A243-H253 WeakPolarHBondContact CB-ND1 3.24Å
244	K	98	Very high	97.7	Very high	127 Å²	127	53 Å²	53	55%	0.552	28%	0.282	S	S	*	.	H	α-helix	trans	-53.7	-27.5	178	-68.4	-175.9	-176.8	178.8	0	113.8	D242 F246 T247 N248	D242-K244 PolarHBondContact O-N 3.22Å; D242-K244 VanDerWaalsContact O-N 3.17Å; D242-K244 WeakPolarHBondContact OD1-CG 3.37Å; D242-K244 PolarHBondContact OD1-N 2.71Å; D242-K244 WeakPolarHBondContact OD2-CD 3.25Å; K244-F246 VanDerWaalsContact C-N 3.32Å; K244-F246 PolarHBondContact O-N 3.05Å; K244-T247 WeakPolarHBondContact CA-OG1 3.45Å; K244-T247 PolarHBondContact O-N 3.47Å; K244-T247 PolarHBondContact O-OG1 2.77Å; K244-N248 WeakPolarHBondContact O-CB 3.24Å; K244-N248 PolarHBondContact O-N 3.39Å; K244-N248 PolarHBondContact O-OD1 3.15Å; K244-N248 VanDerWaalsContact O-OD1 3.11Å
245	R	97.7	Very high	97.7	Very high	71 Å²	71	55.6 Å²	55.6	27%	0.268	30%	0.296	S	S	.	.	H	α-helix	trans	-64.3	-37.7	179.2	-59.9	177.5	76.2	163.4	17.8	112	S205 P218 E219 F222 D242 A243 A249	S205-R245 PolarHBondContact O-NH1 3.34Å; P218-R245 HydrophobicContact CB-CB 4.12Å; P218-R245 HydrophobicContact CG-CB 4.14Å; E219-R245 IonicContact OE1-CZ 2.65Å; E219-R245 IonicContact OE1-NE 2.81Å; E219-R245 PolarHBondContact OE1-NE 3.11Å; E219-R245 IonicContact OE1-NH2 3.09Å; E219-R245 PolarHBondContact OE1-NH2 3.23Å; E219-R245 IonicContact OE2-CZ 2.67Å; E219-R245 IonicContact OE2-NE 2.79Å; E219-R245 PolarHBondContact OE2-NE 3.04Å; E219-R245 IonicContact OE2-NH2 3.71Å; E219-R245 PolarHBondContact OE2-NH2 2.82Å; F222-R245 VanDerWaalsContact CZ-O 3.23Å; F222-R245 WeakPolarHBondContact CZ-O 3.48Å; D242-R245 WeakPolarHBondContact O-CG 3.33Å; D242-R245 PolarHBondContact O-N 3.31Å; D242-R245 VanDerWaalsContact O-N 3.17Å; A243-R245 PolarHBondContact O-N 2.83Å; R245-A249 VanDerWaalsContact O-CB 3.3Å; R245-A249 WeakPolarHBondContact O-CB 3.42Å
246	F	98.4	Very high	97.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-76.4	-43.3	173.4	-78.8	-67.6	0	0	0	111.8	P203 P218 F222 F225 I233 Y241 A243 K244 N248 A249 G250 F251 H253	P203-F246 HydrophobicContact CG-CE2 4.33Å; P203-F246 HydrophobicContact CG-CZ 4.26Å; P218-F246 HydrophobicContact CB-CD1 4.42Å; P218-F246 HydrophobicContact CB-CD2 4.05Å; P218-F246 HydrophobicContact CB-CE1 4.05Å; P218-F246 HydrophobicContact CB-CE2 3.66Å; P218-F246 HydrophobicContact CB-CG 4.42Å; P218-F246 HydrophobicContact CB-CZ 3.65Å; P218-F246 HydrophobicContact CG-CD2 4.33Å; P218-F246 HydrophobicContact CG-CE2 3.88Å; P218-F246 HydrophobicContact CG-CZ 4.29Å; F222-F246 HydrophobicContact CD1-CD1 4.18Å; F222-F246 HydrophobicContact CD1-CE1 4.07Å; F222-F246 AromaticContact CE1-CD1 3.56Å; F222-F246 HydrophobicContact CE1-CD1 3.56Å; F222-F246 AromaticContact CE1-CE1 3.68Å; F222-F246 HydrophobicContact CE1-CE1 3.68Å; F222-F246 HydrophobicContact CE1-CG 4.38Å; F225-F246 HydrophobicContact CD2-CE1 4.08Å; F225-F246 AromaticContact CE2-CE1 3.82Å; F225-F246 HydrophobicContact CE2-CE1 3.82Å; F225-F246 HydrophobicContact CE2-CZ 4.24Å; I233-F246 HydrophobicContact CD1-CD1 4.14Å; I233-F246 HydrophobicContact CD1-CE1 4.08Å; I233-F246 HydrophobicContact CG1-CB 4.26Å; I233-F246 HydrophobicContact CG1-CD1 3.71Å; I233-F246 HydrophobicContact CG1-CD2 4.3Å; I233-F246 HydrophobicContact CG1-CE1 4.05Å; I233-F246 HydrophobicContact CG1-CG 3.85Å; I233-F246 HydrophobicContact CG1-CZ 4.48Å; I233-F246 HydrophobicContact CG2-CD2 4.26Å; I233-F246 HydrophobicContact CG2-CE2 4.16Å; I233-F246 HydrophobicContact CG2-CZ 4.45Å; Y241-F246 HydrophobicContact CD2-CD2 4.46Å; Y241-F246 HydrophobicContact CD2-CE2 4.43Å; Y241-F246 AromaticContact CE2-CD2 3.62Å; Y241-F246 HydrophobicContact CE2-CD2 3.62Å; Y241-F246 AromaticContact CE2-CE2 3.64Å; Y241-F246 HydrophobicContact CE2-CE2 3.64Å; Y241-F246 AromaticContact CZ-CE2 3.75Å; A243-F246 PolarHBondContact O-N 3.03Å; K244-F246 VanDerWaalsContact C-N 3.32Å; K244-F246 PolarHBondContact O-N 3.05Å; F246-N248 PolarHBondContact O-N 2.85Å; F246-A249 CarbonylContact O-C 3.6Å; F246-A249 PolarHBondContact O-N 2.95Å; F246-A249 VanDerWaalsContact O-N 3.07Å; F246-G250 PolarHBondContact O-N 3.05Å; F246-F251 HydrophobicContact CB-CB 4.22Å; F246-F251 HydrophobicContact CB-CD2 4.44Å; F246-F251 HydrophobicContact CD1-CB 4.47Å; F246-F251 AromaticContact CD1-CD2 3.81Å; F246-F251 HydrophobicContact CD1-CD2 3.81Å; F246-F251 HydrophobicContact CD1-CE2 4.35Å; F246-F251 HydrophobicContact CD1-CG 4.31Å; F246-F251 WeakPolarHBondContact O-CD2 3.49Å; F246-F251 PolarHBondContact O-N 3.46Å; F246-H253 AromaticContact CD2-CD2 3.75Å
247	T	98.4	Very high	97.6	Very high	67 Å²	67	61.2 Å²	61.2	41%	0.411	32%	0.322	S	S	.	.	H	α-helix	trans	-66.4	-41.2	-177.9	64	0	0	0	0	112.7	A243 K244 A249 G250 F251 H253	A243-T247 PolarHBondContact O-N 2.88Å; K244-T247 WeakPolarHBondContact CA-OG1 3.45Å; K244-T247 PolarHBondContact O-N 3.47Å; K244-T247 PolarHBondContact O-OG1 2.77Å; T247-A249 PolarHBondContact O-N 3.34Å; T247-G250 PolarHBondContact O-N 2.96Å; T247-G250 VanDerWaalsContact O-N 3.15Å; T247-F251 VanDerWaalsContact CA-O 3.29Å; T247-F251 WeakPolarHBondContact CA-O 3.48Å; T247-H253 HydrophobicContact CG2-CB 3.81Å
248	N	98.1	Very high	97.7	Very high	138 Å²	138	61.3 Å²	61.3	74%	0.738	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-17.4	175.2	-63.4	10.1	0	0	0	112.4	K244 F246	K244-N248 WeakPolarHBondContact O-CB 3.24Å; K244-N248 PolarHBondContact O-N 3.39Å; K244-N248 PolarHBondContact O-OD1 3.15Å; K244-N248 VanDerWaalsContact O-OD1 3.11Å; F246-N248 PolarHBondContact O-N 2.85Å
249	A	97.8	Very high	97.8	Very high	18 Å²	18	58.3 Å²	58.3	15%	0.149	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	4	177.5	0	0	0	0	0	113.7	F222 R226 R245 F246 T247 F251	F222-A249 HydrophobicContact CD1-CB 4.49Å; F222-A249 HydrophobicContact CD2-CB 3.77Å; F222-A249 HydrophobicContact CE1-CB 4.09Å; F222-A249 HydrophobicContact CE2-CB 3.29Å; F222-A249 HydrophobicContact CG-CB 4.36Å; F222-A249 HydrophobicContact CZ-CB 3.49Å; F222-A249 VanDerWaalsContact CZ-CB 3.49Å; R226-A249 PolarHBondContact NH2-O 3.23Å; R245-A249 VanDerWaalsContact O-CB 3.3Å; R245-A249 WeakPolarHBondContact O-CB 3.42Å; F246-A249 CarbonylContact O-C 3.6Å; F246-A249 PolarHBondContact O-N 2.95Å; F246-A249 VanDerWaalsContact O-N 3.07Å; T247-A249 PolarHBondContact O-N 3.34Å; A249-F251 HydrophobicContact CB-CD2 3.95Å; A249-F251 HydrophobicContact CB-CE2 3.93Å
250	G	97.4	Very high	97.7	Very high	68 Å²	68	52.3 Å²	52.3	70%	0.701	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.1	4.1	175.7	0	0	0	0	0	115.9	F246 T247	F246-G250 PolarHBondContact O-N 3.05Å; T247-G250 PolarHBondContact O-N 2.96Å; T247-G250 VanDerWaalsContact O-N 3.15Å
251	F	98.3	Very high	97.6	Very high	9 Å²	9	50.2 Å²	50.2	4%	0.039	28%	0.28	C	S	.	.			trans	-101.2	133.7	-177.6	-51	-82.2	0	0	0	112.1	F222 F225 R226 V230 T231 I233 F246 T247 A249	F222-F251 HydrophobicContact CB-CE2 4.31Å; F222-F251 HydrophobicContact CB-CZ 4.44Å; F222-F251 HydrophobicContact CD1-CD2 4.35Å; F222-F251 AromaticContact CD1-CE2 3.55Å; F222-F251 HydrophobicContact CD1-CE2 3.55Å; F222-F251 HydrophobicContact CD1-CZ 4.27Å; F222-F251 HydrophobicContact CE1-CD2 4.43Å; F222-F251 HydrophobicContact CE1-CE2 4.04Å; F222-F251 AromaticContact CG-CE2 3.91Å; F222-F251 HydrophobicContact CG-CE2 3.91Å; F225-F251 HydrophobicContact CB-CE1 3.72Å; F225-F251 HydrophobicContact CB-CZ 3.8Å; F225-F251 HydrophobicContact CD2-CE1 4.47Å; R226-F251 HydrophobicContact CG-CE1 4.36Å; R226-F251 HydrophobicContact CG-CZ 3.98Å; V230-F251 VanDerWaalsContact O-CD1 3.24Å; V230-F251 WeakPolarHBondContact O-CD1 3.41Å; V230-F251 VanDerWaalsContact O-CE1 3.24Å; V230-F251 WeakPolarHBondContact O-CE1 3.41Å; T231-F251 WeakPolarHBondContact O-CA 3.45Å; I233-F251 HydrophobicContact CG1-CB 4.03Å; F246-F251 HydrophobicContact CB-CB 4.22Å; F246-F251 HydrophobicContact CB-CD2 4.44Å; F246-F251 HydrophobicContact CD1-CB 4.47Å; F246-F251 AromaticContact CD1-CD2 3.81Å; F246-F251 HydrophobicContact CD1-CD2 3.81Å; F246-F251 HydrophobicContact CD1-CE2 4.35Å; F246-F251 HydrophobicContact CD1-CG 4.31Å; F246-F251 WeakPolarHBondContact O-CD2 3.49Å; F246-F251 PolarHBondContact O-N 3.46Å; T247-F251 VanDerWaalsContact CA-O 3.29Å; T247-F251 WeakPolarHBondContact CA-O 3.48Å; A249-F251 HydrophobicContact CB-CD2 3.95Å; A249-F251 HydrophobicContact CB-CE2 3.93Å
252	A	98.3	Very high	97.6	Very high	39 Å²	39	51.7 Å²	51.7	32%	0.322	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	143.1	167.4	0	0	0	0	0	110.2	T231 T232 I233 Y254	T231-A252 PolarHBondContact O-N 3.16Å; T232-A252 WeakPolarHBondContact CA-O 3.19Å; T232-A252 HydrophobicContact CG2-CB 4.42Å; I233-A252 PolarHBondContact N-O 2.8Å; A252-Y254 HydrophobicContact CB-CE2 4.09Å
253	H	98.6	Very high	97.6	Very high	29 Å²	29	49 Å²	49	13%	0.134	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	129.5	-177.2	-166.9	-74.2	0	0	0	111.8	I233 Y241 A243 F246 T247 D255	I233-H253 WeakPolarHBondContact O-CA 3.45Å; Y241-H253 AromaticContact CE2-NE2 3.77Å; Y241-H253 AromaticContact CZ-NE2 3.74Å; Y241-H253 PolarHBondContact OH-NE2 3.31Å; A243-H253 HydrophobicContact CB-CB 4.46Å; A243-H253 WeakPolarHBondContact CB-ND1 3.24Å; F246-H253 AromaticContact CD2-CD2 3.75Å; T247-H253 HydrophobicContact CG2-CB 3.81Å; H253-D255 IonicContact CE1-OD1 2.97Å
254	Y	98.6	Very high	97.6	Very high	79 Å²	79	48.4 Å²	48.4	31%	0.31	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	130.9	179.4	-59.8	-84.9	0	0	0	111.7	T232 I233 R235 A252 I275	T232-Y254 HydrophobicContact CG2-CD2 3.63Å; T232-Y254 HydrophobicContact CG2-CE2 3.59Å; I233-Y254 PolarHBondContact O-N 3.36Å; R235-Y254 PolarHBondContact N-O 3.4Å; A252-Y254 HydrophobicContact CB-CE2 4.09Å; Y254-I275 HydrophobicContact CD1-CD1 3.62Å; Y254-I275 HydrophobicContact CD1-CG1 4.25Å; Y254-I275 HydrophobicContact CD2-CD1 4.26Å; Y254-I275 HydrophobicContact CD2-CG2 3.8Å; Y254-I275 HydrophobicContact CE1-CD1 4.09Å; Y254-I275 HydrophobicContact CE1-CG1 4.22Å; Y254-I275 HydrophobicContact CE2-CG2 3.71Å; Y254-I275 HydrophobicContact CG-CD1 3.71Å; Y254-I275 HydrophobicContact CG-CG1 4.46Å; Y254-I275 HydrophobicContact CG-CG2 4.37Å
255	D	98.5	Very high	97.7	Very high	56 Å²	56	44.9 Å²	44.9	30%	0.299	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	107.3	171.4	-81.2	-38.8	0	0	0	110.3	R235 K239 H253	R235-D255 IonicContact CZ-OD1 2.8Å; R235-D255 IonicContact NE-OD1 3.36Å; R235-D255 PolarHBondContact NE-OD1 3.07Å; R235-D255 IonicContact NH2-OD1 3.96Å; R235-D255 PolarHBondContact NH2-OD1 2.96Å; R235-D255 IonicContact NH2-OD2 2.98Å; R235-D255 PolarHBondContact NH2-OD2 2.97Å; R235-D255 VanDerWaalsContact NH2-OD2 3.09Å; K239-D255 WeakPolarHBondContact CE-OD2 3.4Å; K239-D255 IonicContact NZ-OD2 2.74Å; K239-D255 PolarHBondContact NZ-OD2 2.92Å; H253-D255 IonicContact CE1-OD1 2.97Å
256	L	98.5	Very high	97.7	Very high	20 Å²	20	44.7 Å²	44.7	11%	0.105	27%	0.27	C	S	.	.			trans	-117.5	63.6	174	-63.5	-177.5	0	0	0	109.7	I234 R235 L236 I268 R271 F272 I275	I234-L256 HydrophobicContact CG2-CB 4.37Å; I234-L256 HydrophobicContact CG2-CD1 3.96Å; I234-L256 HydrophobicContact CG2-CG 4.24Å; R235-L256 CarbonylContact O-C 3.35Å; R235-L256 PolarHBondContact O-N 3.11Å; L236-L256 HydrophobicContact CD2-CB 3.86Å; L236-L256 WeakPolarHBondContact CD2-O 3.27Å; L256-I268 HydrophobicContact CB-CG2 4.35Å; L256-R271 HydrophobicContact CD2-CB 4.35Å; L256-R271 HydrophobicContact CD2-CG 3.8Å; L256-F272 HydrophobicContact CD1-CB 3.83Å; L256-F272 HydrophobicContact CD1-CD2 4.2Å; L256-I275 HydrophobicContact CD1-CD1 4.19Å
257	F	98	Very high	97.7	Very high	100 Å²	100	52.6 Å²	52.6	44%	0.439	31%	0.306	S	S	.	.			trans	-69.6	132.6	-173.2	173.8	-105.7	0	0	0	113.3	N237 K238 I268	N237-F257 VanDerWaalsContact C-CD2 3.44Å; K238-F257 HydrophobicContact CG-CE2 3.86Å; K238-F257 HydrophobicContact CG-CZ 4.21Å; F257-I268 WeakPolarHBondContact O-CD1 3.33Å
258	F	98.3	Very high	97.7	Very high	11 Å²	11	50.8 Å²	50.8	5%	0.048	29%	0.294	C	S	.	.			trans	-143.1	160.2	161.2	60.5	-74.6	0	0	0	111.8	L236 S262 P264 I268 R293 L297	L236-F258 HydrophobicContact CB-CE1 4.18Å; L236-F258 HydrophobicContact CD1-CE1 4.21Å; L236-F258 HydrophobicContact CD2-CE1 4.25Å; L236-F258 HydrophobicContact CG-CE1 4.45Å; L236-F258 PolarHBondContact O-N 2.82Å; F258-S262 WeakPolarHBondContact CE2-O 3.4Å; F258-P264 HydrophobicContact CD1-CB 4.18Å; F258-P264 HydrophobicContact CD2-CB 4.1Å; F258-P264 HydrophobicContact CE1-CB 3.99Å; F258-P264 HydrophobicContact CE2-CB 3.86Å; F258-P264 HydrophobicContact CE2-CG 4.16Å; F258-P264 HydrophobicContact CG-CB 4.24Å; F258-P264 HydrophobicContact CZ-CB 3.8Å; F258-P264 HydrophobicContact CZ-CG 4.08Å; F258-I268 HydrophobicContact CB-CD1 3.96Å; F258-I268 HydrophobicContact CD1-CD1 4.48Å; F258-I268 HydrophobicContact CD1-CG2 4.18Å; F258-I268 HydrophobicContact CE1-CG2 4.4Å; F258-R293 HydrophobicContact CD2-CG 4.04Å; F258-R293 HydrophobicContact CE1-CB 4.07Å; F258-R293 HydrophobicContact CE1-CG 4.34Å; F258-R293 HydrophobicContact CE2-CB 3.87Å; F258-R293 HydrophobicContact CE2-CG 3.44Å; F258-R293 VanDerWaalsContact CE2-CG 3.44Å; F258-R293 HydrophobicContact CZ-CB 3.47Å; F258-R293 VanDerWaalsContact CZ-CB 3.47Å; F258-R293 HydrophobicContact CZ-CG 3.63Å; F258-R293 PolarHBondContact O-NH1 3.49Å; F258-L297 HydrophobicContact CE1-CD1 3.77Å; F258-L297 HydrophobicContact CE1-CG 4.36Å; F258-L297 HydrophobicContact CZ-CD1 4.3Å; F258-L297 HydrophobicContact CZ-CG 4.41Å
259	T	97.3	Very high	97.7	Very high	64 Å²	64	44.3 Å²	44.3	39%	0.393	26%	0.259	S	S	.	.			trans	-58.3	144.9	-173	-58.5	0	0	0	0	112.4	S262 R293	T259-S262 PolarHBondContact O-N 2.98Å; T259-S262 PolarHBondContact O-OG 3.42Å; T259-S262 VanDerWaalsContact O-OG 3.1Å; T259-R293 WeakPolarHBondContact O-CD 3.36Å
260	D	95.3	Very high	97.7	Very high	26 Å²	26	46.7 Å²	46.7	14%	0.139	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	140.2	-179.4	-141.2	1.8	0	0	0	111.6	S262 R293 S1094 L1098	D260-S262 PolarHBondContact O-N 2.86Å; D260-S262 VanDerWaalsContact O-N 3.12Å; D260-R293 VanDerWaalsContact CG-CZ 3.46Å; D260-R293 IonicContact OD1-CZ 3.8Å; D260-R293 IonicContact OD1-NE 2.63Å; D260-R293 PolarHBondContact OD1-NE 2.91Å; D260-R293 IonicContact OD1-NH2 3.24Å; D260-R293 PolarHBondContact OD1-NH2 2.89Å; D260-R293 IonicContact OD2-NH2 2.82Å; D260-R293 PolarHBondContact OD2-NH2 3.33Å; D260-R293 VanDerWaalsContact OD2-NH2 3.1Å; D260-S1094 PolarHBondContact OD1-OG 3.49Å; D260-S1094 WeakPolarHBondContact OD2-CB 3.23Å; D260-S1094 PolarHBondContact OD2-OG 2.99Å; D260-L1098 WeakPolarHBondContact O-CD1 3.36Å
261	G	91.5	Very high	97.8	Very high	17 Å²	17	48.3 Å²	48.3	18%	0.175	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	-7.6	-171.3	0	0	0	0	0	116.2
262	S	96.9	Very high	97.8	Very high	39 Å²	39	47.9 Å²	47.9	27%	0.273	25%	0.253	S	S	.	.	S	Bend	trans	-82.8	169.1	173.1	89.2	0	0	0	0	112	F258 T259 D260 Q329	F258-S262 WeakPolarHBondContact CE2-O 3.4Å; T259-S262 PolarHBondContact O-N 2.98Å; T259-S262 PolarHBondContact O-OG 3.42Å; T259-S262 VanDerWaalsContact O-OG 3.1Å; D260-S262 PolarHBondContact O-N 2.86Å; D260-S262 VanDerWaalsContact O-N 3.12Å; S262-Q329 PolarHBondContact O-NE2 3.5Å
263	C	98.2	Very high	97.8	Very high	33 Å²	33	46.2 Å²	46.2	22%	0.223	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-86	158.7	166.2	-53.5	0	0	0	0	110.2	W332	C263-W332 HydrophobicContact CB-CB 4.12Å; C263-W332 VanDerWaalsContact CB-CD1 3.44Å; C263-W332 HydrophobicContact CB-CD2 3.88Å; C263-W332 HydrophobicContact CB-CG 3.55Å; C263-W332 WeakPolarHBondContact SG-CB 3.46Å; C263-W332 VanDerWaalsContact SG-CG 3.58Å
264	P	98.3	Very high	97.8	Very high	6 Å²	6	49.2 Å²	49.2	4%	0.039	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-77.1	160.6	172	31.7	-31.7	0	0	0	111.1	F258 I268 T296 L297 W332	F258-P264 HydrophobicContact CD1-CB 4.18Å; F258-P264 HydrophobicContact CD2-CB 4.1Å; F258-P264 HydrophobicContact CE1-CB 3.99Å; F258-P264 HydrophobicContact CE2-CB 3.86Å; F258-P264 HydrophobicContact CE2-CG 4.16Å; F258-P264 HydrophobicContact CG-CB 4.24Å; F258-P264 HydrophobicContact CZ-CB 3.8Å; F258-P264 HydrophobicContact CZ-CG 4.08Å; P264-I268 HydrophobicContact CB-CB 4.08Å; P264-I268 HydrophobicContact CB-CG2 3.76Å; P264-T296 HydrophobicContact CG-CG2 4.19Å; P264-L297 HydrophobicContact CB-CD2 4.13Å; P264-L297 HydrophobicContact CG-CD2 3.8Å; P264-L297 HydrophobicContact CG-CG 4.38Å; P264-W332 HydrophobicContact CG-CH2 3.49Å; P264-W332 VanDerWaalsContact CG-CH2 3.49Å; P264-W332 HydrophobicContact CG-CZ2 3.71Å; P264-W332 HydrophobicContact CG-CZ3 4.02Å; P264-W332 WeakPolarHBondContact O-CZ2 3.42Å
265	S	98.2	Very high	97.8	Very high	52 Å²	52	45.8 Å²	45.8	36%	0.364	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-79.7	162.4	167.3	66.2	0	0	0	0	111	Q267 I268 M269	S265-Q267 PolarHBondContact O-N 2.88Å; S265-I268 PolarHBondContact O-N 2.97Å; S265-I268 WeakPolarHBondContact OG-CG1 3.47Å; S265-I268 PolarHBondContact OG-N 3.47Å; S265-M269 PolarHBondContact O-N 2.95Å
266	D	98	Very high	97.8	Very high	68 Å²	68	43.1 Å²	43.1	36%	0.364	23%	0.225	S	C	.	.	H	α-helix	trans	-64.8	-28.3	178.2	-69.4	-15.4	0	0	0	112.5	M269 N270 K336	D266-M269 PolarHBondContact O-N 2.87Å; D266-N270 VanDerWaalsContact O-CB 3.23Å; D266-N270 WeakPolarHBondContact O-CB 3.34Å; D266-N270 PolarHBondContact O-N 3.34Å; D266-N270 PolarHBondContact O-ND2 2.79Å; D266-N270 PolarHBondContact O-OD1 2.95Å; D266-K336 WeakPolarHBondContact OD1-CE 3.48Å; D266-K336 IonicContact OD1-NZ 2.74Å; D266-K336 PolarHBondContact OD1-NZ 3.42Å; D266-K336 IonicContact OD2-NZ 2.73Å; D266-K336 PolarHBondContact OD2-NZ 3.05Å
267	Q	98.3	Very high	97.7	Very high	165 Å²	165	44.3 Å²	44.3	77%	0.771	23%	0.23	S	C	*	.	H	α-helix	trans	-61.4	-44.3	169.3	-67.4	172.6	-20.5	0	0	111.8	S265 R271	S265-Q267 PolarHBondContact O-N 2.88Å; Q267-R271 VanDerWaalsContact O-CB 3.27Å; Q267-R271 WeakPolarHBondContact O-CB 3.39Å; Q267-R271 PolarHBondContact O-N 3.38Å
268	I	98.6	Very high	97.7	Very high	30 Å²	30	45.8 Å²	45.8	15%	0.154	24%	0.243	C	C	.	.	H	α-helix	trans	-69	-41.8	177.6	-68.4	175.7	0	0	0	110.8	L256 F257 F258 P264 S265 F272 L297	L256-I268 HydrophobicContact CB-CG2 4.35Å; F257-I268 WeakPolarHBondContact O-CD1 3.33Å; F258-I268 HydrophobicContact CB-CD1 3.96Å; F258-I268 HydrophobicContact CD1-CD1 4.48Å; F258-I268 HydrophobicContact CD1-CG2 4.18Å; F258-I268 HydrophobicContact CE1-CG2 4.4Å; P264-I268 HydrophobicContact CB-CB 4.08Å; P264-I268 HydrophobicContact CB-CG2 3.76Å; S265-I268 PolarHBondContact O-N 2.97Å; S265-I268 WeakPolarHBondContact OG-CG1 3.47Å; S265-I268 PolarHBondContact OG-N 3.47Å; I268-F272 VanDerWaalsContact O-CB 3.28Å; I268-F272 WeakPolarHBondContact O-CB 3.2Å; I268-F272 PolarHBondContact O-N 2.87Å; I268-L297 HydrophobicContact CG2-CD1 4.14Å
269	M	98.6	Very high	97.6	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-51.4	175.4	-177.2	-176.6	69.6	0	0	111.4	S265 D266 R271 F272 L273 L297 C300 W332 K336	S265-M269 PolarHBondContact O-N 2.95Å; D266-M269 PolarHBondContact O-N 2.87Å; M269-R271 PolarHBondContact O-N 3.39Å; M269-F272 PolarHBondContact O-N 2.86Å; M269-L273 HydrophobicContact CG-CD1 4.12Å; M269-L273 VanDerWaalsContact O-CG 3.31Å; M269-L273 WeakPolarHBondContact O-CG 3.36Å; M269-L273 PolarHBondContact O-N 2.76Å; M269-L297 HydrophobicContact CB-CD2 4.44Å; M269-C300 HydrophobicContact CG-CB 4.09Å; M269-C300 HydrophobicContact SD-CB 4.39Å; M269-W332 HydrophobicContact CB-CH2 4.43Å; M269-W332 HydrophobicContact CG-CH2 4.35Å; M269-W332 HydrophobicContact SD-CH2 3.81Å; M269-W332 HydrophobicContact SD-CZ2 4.42Å; M269-K336 HydrophobicContact CE-CD 4.48Å; M269-K336 HydrophobicContact SD-CB 4.39Å; M269-K336 HydrophobicContact SD-CD 4.42Å; M269-K336 HydrophobicContact SD-CG 4.36Å
270	N	98.3	Very high	97.3	Very high	69 Å²	69	49.2 Å²	49.2	37%	0.369	27%	0.27	S	S	.	.	H	α-helix	trans	-64.2	-43.7	-178.5	-67.9	-10.8	0	0	0	111.2	D266 F272 L273 E274	D266-N270 VanDerWaalsContact O-CB 3.23Å; D266-N270 WeakPolarHBondContact O-CB 3.34Å; D266-N270 PolarHBondContact O-N 3.34Å; D266-N270 PolarHBondContact O-ND2 2.79Å; D266-N270 PolarHBondContact O-OD1 2.95Å; N270-F272 VanDerWaalsContact C-N 3.35Å; N270-F272 PolarHBondContact O-N 3.13Å; N270-L273 PolarHBondContact O-N 2.86Å; N270-E274 WeakPolarHBondContact O-CB 3.42Å; N270-E274 PolarHBondContact O-N 3.25Å
271	R	98.6	Very high	97.3	Very high	101 Å²	101	48 Å²	48	38%	0.381	26%	0.264	S	S	.	.	H	α-helix	trans	-66.2	-35.1	177.2	-176.1	56.8	-177.1	180	8.2	112.7	L256 Q267 M269 E274 I275	L256-R271 HydrophobicContact CD2-CB 4.35Å; L256-R271 HydrophobicContact CD2-CG 3.8Å; Q267-R271 VanDerWaalsContact O-CB 3.27Å; Q267-R271 WeakPolarHBondContact O-CB 3.39Å; Q267-R271 PolarHBondContact O-N 3.38Å; M269-R271 PolarHBondContact O-N 3.39Å; R271-E274 WeakPolarHBondContact CD-OE2 3.49Å; R271-E274 IonicContact CZ-OE1 2.94Å; R271-E274 IonicContact CZ-OE2 3.76Å; R271-E274 IonicContact NE-OE2 2.78Å; R271-E274 IonicContact NH1-OE1 3.11Å; R271-E274 PolarHBondContact NH1-OE1 3.1Å; R271-E274 IonicContact NH1-OE2 3.98Å; R271-E274 PolarHBondContact NH1-OE2 2.77Å; R271-I275 HydrophobicContact CG-CD1 4.04Å; R271-I275 WeakPolarHBondContact O-CD1 3.24Å; R271-I275 VanDerWaalsContact O-CG1 3.3Å; R271-I275 WeakPolarHBondContact O-CG1 3.26Å; R271-I275 PolarHBondContact O-N 3.13Å
272	F	98.8	Very high	97.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-49.4	172.5	176	-91.1	0	0	0	111.3	F197 I234 L256 I268 M269 N270 I275 C276 V285 L297 I298	F197-F272 HydrophobicContact CE1-CE1 4.36Å; F197-F272 AromaticContact CE1-CZ 3.78Å; F197-F272 HydrophobicContact CE1-CZ 3.78Å; F197-F272 HydrophobicContact CZ-CE1 4.43Å; F197-F272 HydrophobicContact CZ-CZ 4.3Å; I234-F272 HydrophobicContact CD1-CD2 3.86Å; I234-F272 HydrophobicContact CD1-CE2 3.77Å; I234-F272 HydrophobicContact CG2-CD2 4.26Å; I234-F272 HydrophobicContact CG2-CE2 4.45Å; L256-F272 HydrophobicContact CD1-CB 3.83Å; L256-F272 HydrophobicContact CD1-CD2 4.2Å; I268-F272 VanDerWaalsContact O-CB 3.28Å; I268-F272 WeakPolarHBondContact O-CB 3.2Å; I268-F272 PolarHBondContact O-N 2.87Å; M269-F272 PolarHBondContact O-N 2.86Å; N270-F272 VanDerWaalsContact C-N 3.35Å; N270-F272 PolarHBondContact O-N 3.13Å; F272-I275 PolarHBondContact O-N 2.82Å; F272-C276 VanDerWaalsContact CE1-SG 3.59Å; F272-C276 VanDerWaalsContact CZ-SG 3.57Å; F272-C276 WeakPolarHBondContact O-CB 3.17Å; F272-C276 PolarHBondContact O-N 3.45Å; F272-C276 PolarHBondContact O-SG 3.42Å; F272-V285 HydrophobicContact CE2-CG1 4.09Å; F272-V285 HydrophobicContact CE2-CG2 3.93Å; F272-V285 HydrophobicContact CZ-CG2 4.2Å; F272-L297 HydrophobicContact CB-CD1 4.19Å; F272-L297 HydrophobicContact CB-CD2 4.13Å; F272-L297 HydrophobicContact CD1-CB 3.85Å; F272-L297 HydrophobicContact CD1-CD2 4.43Å; F272-L297 HydrophobicContact CD2-CB 3.87Å; F272-L297 HydrophobicContact CD2-CD1 3.83Å; F272-L297 HydrophobicContact CD2-CG 4.37Å; F272-L297 HydrophobicContact CE1-CB 3.85Å; F272-L297 WeakPolarHBondContact CE1-O 3.33Å; F272-L297 HydrophobicContact CE2-CB 3.85Å; F272-L297 HydrophobicContact CE2-CD1 4.43Å; F272-L297 HydrophobicContact CG-CB 3.86Å; F272-L297 HydrophobicContact CG-CD1 4.03Å; F272-L297 HydrophobicContact CG-CD2 4.21Å; F272-L297 HydrophobicContact CG-CG 4.26Å; F272-L297 HydrophobicContact CZ-CB 3.84Å; F272-I298 HydrophobicContact CZ-CG1 4.23Å
273	L	98.6	Very high	97.8	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-60.3	-46.5	178.8	-69	169.4	0	0	0	111.5	M269 N270 I275 C276 E277 C300 Y301 K304	M269-L273 HydrophobicContact CG-CD1 4.12Å; M269-L273 VanDerWaalsContact O-CG 3.31Å; M269-L273 WeakPolarHBondContact O-CG 3.36Å; M269-L273 PolarHBondContact O-N 2.76Å; N270-L273 PolarHBondContact O-N 2.86Å; L273-I275 PolarHBondContact O-N 3.2Å; L273-C276 PolarHBondContact O-N 3.29Å; L273-C276 VanDerWaalsContact O-N 3.13Å; L273-E277 WeakPolarHBondContact O-CB 3.48Å; L273-E277 VanDerWaalsContact O-CG 3.3Å; L273-E277 WeakPolarHBondContact O-CG 3.45Å; L273-E277 PolarHBondContact O-N 3.37Å; L273-C300 HydrophobicContact CD2-CB 4.32Å; L273-Y301 HydrophobicContact CD2-CD2 4.17Å; L273-K304 HydrophobicContact CD1-CD 3.93Å; L273-K304 HydrophobicContact CD2-CD 4.15Å; L273-K304 HydrophobicContact CG-CD 4.49Å
274	E	98.1	Very high	97.8	Very high	91 Å²	91	43.9 Å²	43.9	43%	0.425	23%	0.233	S	C	.	.	H	α-helix	trans	-56	-48	175.8	-171.4	-154.2	155.8	0	0	112.2	N270 R271 C276 E277 N278	N270-E274 WeakPolarHBondContact O-CB 3.42Å; N270-E274 PolarHBondContact O-N 3.25Å; R271-E274 WeakPolarHBondContact CD-OE2 3.49Å; R271-E274 IonicContact CZ-OE1 2.94Å; R271-E274 IonicContact CZ-OE2 3.76Å; R271-E274 IonicContact NE-OE2 2.78Å; R271-E274 IonicContact NH1-OE1 3.11Å; R271-E274 PolarHBondContact NH1-OE1 3.1Å; R271-E274 IonicContact NH1-OE2 3.98Å; R271-E274 PolarHBondContact NH1-OE2 2.77Å; E274-C276 VanDerWaalsContact C-N 3.35Å; E274-C276 PolarHBondContact O-N 3.13Å; E274-E277 PolarHBondContact O-N 3.11Å; E274-N278 PolarHBondContact O-N 3.49Å; E274-N278 PolarHBondContact O-ND2 3.11Å
275	I	98.4	Very high	97.8	Very high	7 Å²	7	43.6 Å²	43.6	4%	0.036	23%	0.231	C	C	.	.	H	α-helix	trans	-61.7	-45.1	175.6	-70	161.5	0	0	0	110.2	T232 I234 Y254 L256 R271 F272 L273 E277 N278 V279	T232-I275 HydrophobicContact CG2-CG2 4.31Å; I234-I275 HydrophobicContact CD1-CG2 3.94Å; Y254-I275 HydrophobicContact CD1-CD1 3.62Å; Y254-I275 HydrophobicContact CD1-CG1 4.25Å; Y254-I275 HydrophobicContact CD2-CD1 4.26Å; Y254-I275 HydrophobicContact CD2-CG2 3.8Å; Y254-I275 HydrophobicContact CE1-CD1 4.09Å; Y254-I275 HydrophobicContact CE1-CG1 4.22Å; Y254-I275 HydrophobicContact CE2-CG2 3.71Å; Y254-I275 HydrophobicContact CG-CD1 3.71Å; Y254-I275 HydrophobicContact CG-CG1 4.46Å; Y254-I275 HydrophobicContact CG-CG2 4.37Å; L256-I275 HydrophobicContact CD1-CD1 4.19Å; R271-I275 HydrophobicContact CG-CD1 4.04Å; R271-I275 WeakPolarHBondContact O-CD1 3.24Å; R271-I275 VanDerWaalsContact O-CG1 3.3Å; R271-I275 WeakPolarHBondContact O-CG1 3.26Å; R271-I275 PolarHBondContact O-N 3.13Å; F272-I275 PolarHBondContact O-N 2.82Å; L273-I275 PolarHBondContact O-N 3.2Å; I275-E277 VanDerWaalsContact C-N 3.27Å; I275-E277 PolarHBondContact O-N 2.94Å; I275-N278 PolarHBondContact O-N 3.01Å; I275-V279 HydrophobicContact CG2-CG2 4.36Å; I275-V279 VanDerWaalsContact O-CG2 3.28Å; I275-V279 WeakPolarHBondContact O-CG2 3.29Å; I275-V279 PolarHBondContact O-N 2.97Å
276	C	98.4	Very high	97.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-68.2	-26.7	-175.9	-65.1	0	0	0	0	114	K196 F197 F272 L273 E274 I283 Y301	K196-C276 WeakPolarHBondContact CE-O 3.27Å; K196-C276 PolarHBondContact NZ-O 3.12Å; F197-C276 HydrophobicContact CE1-CB 4.47Å; F197-C276 HydrophobicContact CZ-CB 3.81Å; F197-C276 VanDerWaalsContact CZ-SG 3.58Å; F272-C276 VanDerWaalsContact CE1-SG 3.59Å; F272-C276 VanDerWaalsContact CZ-SG 3.57Å; F272-C276 WeakPolarHBondContact O-CB 3.17Å; F272-C276 PolarHBondContact O-N 3.45Å; F272-C276 PolarHBondContact O-SG 3.42Å; L273-C276 PolarHBondContact O-N 3.29Å; L273-C276 VanDerWaalsContact O-N 3.13Å; E274-C276 VanDerWaalsContact C-N 3.35Å; E274-C276 PolarHBondContact O-N 3.13Å; C276-I283 HydrophobicContact CB-CD1 3.75Å; C276-Y301 HydrophobicContact CB-CD2 3.65Å; C276-Y301 HydrophobicContact CB-CE2 3.67Å
277	E	97.4	Very high	97.8	Very high	45 Å²	45	38 Å²	38	21%	0.21	20%	0.197	C	C	.	.	H	α-helix	trans	-79.3	-26.7	177.9	-76.7	160.5	-141.7	0	0	113.1	L273 E274 I275 Y301 K304 H305 Y347	L273-E277 WeakPolarHBondContact O-CB 3.48Å; L273-E277 VanDerWaalsContact O-CG 3.3Å; L273-E277 WeakPolarHBondContact O-CG 3.45Å; L273-E277 PolarHBondContact O-N 3.37Å; E274-E277 PolarHBondContact O-N 3.11Å; I275-E277 VanDerWaalsContact C-N 3.27Å; I275-E277 PolarHBondContact O-N 2.94Å; E277-Y301 HydrophobicContact CG-CE2 4.22Å; E277-K304 IonicContact OE1-NZ 3.61Å; E277-K304 PolarHBondContact OE1-NZ 3.39Å; E277-K304 IonicContact OE2-NZ 2.71Å; E277-K304 PolarHBondContact OE2-NZ 3.11Å; E277-H305 WeakPolarHBondContact CG-CE1 3.4Å; E277-H305 WeakPolarHBondContact CG-NE2 3.37Å; E277-H305 IonicContact OE1-CD2 3.83Å; E277-H305 IonicContact OE1-CE1 3.36Å; E277-H305 PolarHBondContact OE1-CE1 3.22Å; E277-H305 VanDerWaalsContact OE1-CE1 3.24Å; E277-H305 IonicContact OE1-NE2 3.43Å; E277-H305 PolarHBondContact OE1-NE2 3.28Å; E277-H305 IonicContact OE2-CE1 3.06Å; E277-H305 PolarHBondContact OE2-CE1 3.07Å; E277-H305 IonicContact OE2-NE2 3.9Å; E277-H305 PolarHBondContact OE2-NE2 2.94Å; E277-Y347 HydrophobicContact CB-CE2 4.38Å; E277-Y347 HydrophobicContact CG-CE2 4.06Å; E277-Y347 WeakPolarHBondContact OE2-CD2 3.48Å; E277-Y347 WeakPolarHBondContact OE2-CE2 3.39Å
278	N	96.7	Very high	97.6	Very high	131 Å²	131	33 Å²	33	70%	0.701	17%	0.173	S	C	*	.	H	α-helix	trans	-98	1.1	-178.7	-69.9	-71.8	0	0	0	114.4	E274 I275	E274-N278 PolarHBondContact O-N 3.49Å; E274-N278 PolarHBondContact O-ND2 3.11Å; I275-N278 PolarHBondContact O-N 3.01Å
279	V	96.1	Very high	97.4	Very high	19 Å²	19	32.1 Å²	32.1	12%	0.115	17%	0.17	C	C	.	.			trans	-99.3	123.7	178.8	170.6	0	0	0	0	111.3	K196 T231 T232 I275 I283	K196-V279 PolarHBondContact NZ-O 3.17Å; T231-V279 WeakPolarHBondContact OG1-CG1 3.23Å; T232-V279 HydrophobicContact CG2-CG2 4.22Å; T232-V279 WeakPolarHBondContact OG1-CG1 3.13Å; T232-V279 VanDerWaalsContact OG1-CG2 3.3Å; T232-V279 WeakPolarHBondContact OG1-CG2 3.07Å; I275-V279 HydrophobicContact CG2-CG2 4.36Å; I275-V279 VanDerWaalsContact O-CG2 3.28Å; I275-V279 WeakPolarHBondContact O-CG2 3.29Å; I275-V279 PolarHBondContact O-N 2.97Å; V279-I283 HydrophobicContact CB-CD1 4.23Å; V279-I283 HydrophobicContact CB-CG1 4.24Å; V279-I283 HydrophobicContact CG1-CD1 4.38Å; V279-I283 HydrophobicContact CG1-CG1 3.86Å
280	S	91.4	Very high	97.3	Very high	128 Å²	128	32.1 Å²	32.1	90%	0.895	17%	0.17	S	C	*	.	S	Bend	trans	-76.9	-32	-179.2	53.1	0	0	0	0	114.7
281	G	96.6	Very high	97.3	Very high	2 Å²	2	29 Å²	29	2%	0.021	15%	0.153	C	C	.	.	S	Bend	trans	-92.6	-167.9	177.9	0	0	0	0	0	114.2
282	A	98.5	Very high	97.3	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.008	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	151.1	173.5	0	0	0	0	0	111.9	W191 N195 N229 V230 T231 T232	W191-A282 HydrophobicContact CH2-CB 3.75Å; W191-A282 HydrophobicContact CZ3-CB 3.93Å; N195-A282 WeakPolarHBondContact O-CB 3.36Å; N229-A282 PolarHBondContact O-N 3.26Å; V230-A282 WeakPolarHBondContact CA-O 3.35Å; V230-A282 HydrophobicContact CG2-CB 4.03Å; T231-A282 PolarHBondContact N-O 3.27Å; T232-A282 PolarHBondContact N-O 2.66Å
283	I	98.8	Very high	97.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121.1	-176.6	-53.4	166	0	0	0	108.5	K196 F197 L198 T232 I234 C276 V279 V285	K196-I283 PolarHBondContact O-N 2.73Å; F197-I283 WeakPolarHBondContact CA-O 3.4Å; F197-I283 HydrophobicContact CD1-CB 4.21Å; F197-I283 HydrophobicContact CE1-CB 4.16Å; F197-I283 HydrophobicContact CE1-CD1 4.05Å; F197-I283 HydrophobicContact CE1-CG2 4.27Å; F197-I283 HydrophobicContact CZ-CD1 4.09Å; L198-I283 PolarHBondContact N-O 2.86Å; T232-I283 HydrophobicContact CG2-CG2 4.34Å; T232-I283 WeakPolarHBondContact O-CA 3.39Å; I234-I283 HydrophobicContact CD1-CG2 3.75Å; I234-I283 HydrophobicContact CG1-CG2 3.99Å; C276-I283 HydrophobicContact CB-CD1 3.75Å; V279-I283 HydrophobicContact CB-CD1 4.23Å; V279-I283 HydrophobicContact CB-CG1 4.24Å; V279-I283 HydrophobicContact CG1-CD1 4.38Å; V279-I283 HydrophobicContact CG1-CG1 3.86Å; I283-V285 HydrophobicContact CG2-CG2 3.86Å
284	A	98.8	Very high	97.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	117.8	174.1	0	0	0	0	0	110	L198 F200 F225 V230 T232 I233 I234	L198-A284 HydrophobicContact CB-CB 4.32Å; L198-A284 HydrophobicContact CD2-CB 4.26Å; L198-A284 CarbonylContact O-C 3.53Å; L198-A284 WeakPolarHBondContact O-CA 3.3Å; F200-A284 HydrophobicContact CD1-CB 3.91Å; F200-A284 HydrophobicContact CE1-CB 3.51Å; F200-A284 HydrophobicContact CZ-CB 4.33Å; F225-A284 HydrophobicContact CE1-CB 4.37Å; F225-A284 HydrophobicContact CE2-CB 4.1Å; F225-A284 HydrophobicContact CZ-CB 3.87Å; V230-A284 HydrophobicContact CG1-CB 3.72Å; T232-A284 PolarHBondContact O-N 3.43Å; I233-A284 WeakPolarHBondContact CA-O 3.45Å; I233-A284 HydrophobicContact CD1-CB 3.89Å; I234-A284 PolarHBondContact N-O 3.18Å
285	V	98.8	Very high	97.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	125.3	-175.4	-172.6	0	0	0	0	109.7	F197 L198 F200 I234 L236 F272 I283 T294 I298	F197-V285 HydrophobicContact CD1-CG2 4.08Å; F197-V285 HydrophobicContact CE1-CG2 4.2Å; L198-V285 PolarHBondContact O-N 2.96Å; F200-V285 PolarHBondContact N-O 3.07Å; I234-V285 HydrophobicContact CB-CG1 4.34Å; I234-V285 HydrophobicContact CB-CG2 4.31Å; I234-V285 HydrophobicContact CD1-CG2 4.47Å; L236-V285 HydrophobicContact CD1-CG1 3.8Å; L236-V285 HydrophobicContact CG-CG1 4.19Å; F272-V285 HydrophobicContact CE2-CG1 4.09Å; F272-V285 HydrophobicContact CE2-CG2 3.93Å; F272-V285 HydrophobicContact CZ-CG2 4.2Å; I283-V285 HydrophobicContact CG2-CG2 3.86Å; V285-T294 HydrophobicContact CB-CG2 4.13Å; V285-T294 HydrophobicContact CG1-CG2 4.06Å; V285-T294 VanDerWaalsContact O-CG2 3.28Å; V285-T294 WeakPolarHBondContact O-CG2 3.44Å; V285-I298 HydrophobicContact CB-CD1 4.21Å; V285-I298 HydrophobicContact CB-CG1 4.47Å; V285-I298 HydrophobicContact CG2-CD1 4.36Å; V285-I298 HydrophobicContact CG2-CG1 4.3Å
286	H	98.6	Very high	97.3	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	152.2	176.1	81.2	88	0	0	0	113	F200 G202 I234 R235 L236 N237 Y241	F200-H286 HydrophobicContact CD1-CB 3.75Å; F200-H286 HydrophobicContact CD2-CB 4.29Å; F200-H286 HydrophobicContact CE1-CB 3.65Å; F200-H286 AromaticContact CE1-CD2 3.91Å; F200-H286 HydrophobicContact CE2-CB 4.23Å; F200-H286 HydrophobicContact CG-CB 4.07Å; F200-H286 HydrophobicContact CZ-CB 3.91Å; F200-H286 AromaticContact CZ-CD2 3.58Å; F200-H286 WeakPolarHBondContact O-CA 3.17Å; F200-H286 WeakPolarHBondContact O-CB 3.48Å; G202-H286 WeakPolarHBondContact CA-ND1 3.48Å; I234-H286 PolarHBondContact O-N 3.49Å; R235-H286 WeakPolarHBondContact CB-NE2 3.35Å; R235-H286 VanDerWaalsContact CG-CE1 3.42Å; R235-H286 WeakPolarHBondContact CG-CE1 3.47Å; L236-H286 WeakPolarHBondContact CB-O 3.15Å; L236-H286 WeakPolarHBondContact CG-O 3.05Å; L236-H286 PolarHBondContact N-O 3.41Å; N237-H286 PolarHBondContact OD1-CE1 3.08Å; N237-H286 PolarHBondContact OD1-ND1 3.38Å; Y241-H286 AromaticContact CE1-CE1 3.6Å; Y241-H286 AromaticContact CE1-NE2 3.48Å; Y241-H286 WeakPolarHBondContact CE1-NE2 3.29Å; Y241-H286 AromaticContact CZ-NE2 3.51Å; Y241-H286 PolarHBondContact OH-NE2 2.7Å
287	C	97.2	Very high	97.3	Very high	3 Å²	3	20 Å²	20	2%	0.02	12%	0.117	C	C	.	.	S	Bend	trans	-117.5	-129.2	163.8	67.3	0	0	0	0	108.2	G202 L236 N237 G290 R293 T294	G202-C287 WeakPolarHBondContact CA-O 3.31Å; L236-C287 HydrophobicContact CB-CB 3.96Å; N237-C287 VanDerWaalsContact CG-C 3.49Å; N237-C287 PolarHBondContact ND2-O 3.45Å; N237-C287 PolarHBondContact OD1-O 2.86Å; C287-G290 PolarHBondContact SG-N 3.43Å; C287-G290 VanDerWaalsContact SG-N 3.35Å; C287-R293 HydrophobicContact CB-CB 3.82Å; C287-T294 PolarHBondContact N-OG1 2.73Å; C287-T294 VanDerWaalsContact N-OG1 3.16Å; C287-T294 PolarHBondContact SG-OG1 2.81Å
288	K	95	Very high	97.4	Very high	61 Å²	61	17.9 Å²	17.9	27%	0.265	11%	0.107	S	C	.	.	S	Bend	trans	-78.8	-56.5	170.5	-168.9	-175.2	-178.3	-164.1	0	111.7	C201 G202 A1090 N1093	C201-K288 PolarHBondContact SG-O 3.12Å; G202-K288 PolarHBondContact N-O 2.94Å; K288-A1090 PolarHBondContact NZ-O 3.12Å; K288-N1093 VanDerWaalsContact NZ-CB 3.33Å; K288-N1093 PolarHBondContact NZ-O 3.33Å
289	A	94	Very high	97.5	Very high	11 Å²	11	11.6 Å²	11.6	9%	0.091	7%	0.074	C	C	.	.	S	Bend	trans	-107.4	0.5	-179.2	0	0	0	0	0	113.8	L291 R321 A1090	A289-L291 VanDerWaalsContact C-N 3.3Å; A289-L291 HydrophobicContact CB-CD1 4.26Å; A289-L291 HydrophobicContact CB-CG 4.25Å; A289-L291 PolarHBondContact O-N 3.17Å; A289-R321 PolarHBondContact O-NH2 3.09Å; A289-A1090 HydrophobicContact CB-CB 4.1Å
290	G	96.8	Very high	97.6	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	70.2	20.5	-176.4	0	0	0	0	0	115.3	F200 C287 R321	F200-G290 WeakPolarHBondContact O-CA 3.29Å; C287-G290 PolarHBondContact SG-N 3.43Å; C287-G290 VanDerWaalsContact SG-N 3.35Å; G290-R321 PolarHBondContact O-NE 3.49Å
291	L	97.4	Very high	98	Very high	3 Å²	3	5.5 Å²	5.5	2%	0.016	3%	0.029	C	C	.	.	S	Bend	trans	-111.1	-83.9	-171.9	-62.3	178.3	0	0	0	113.2	F57 A289 G295 R321 P322 I325 I326 L1091	F57-L291 HydrophobicContact CD1-CD1 4.05Å; F57-L291 HydrophobicContact CE1-CD1 3.36Å; F57-L291 HydrophobicContact CE2-CD1 4.44Å; F57-L291 HydrophobicContact CZ-CD1 3.6Å; F57-L291 HydrophobicContact CZ-CD2 4.44Å; A289-L291 VanDerWaalsContact C-N 3.3Å; A289-L291 HydrophobicContact CB-CD1 4.26Å; A289-L291 HydrophobicContact CB-CG 4.25Å; A289-L291 PolarHBondContact O-N 3.17Å; L291-G295 PolarHBondContact O-N 2.92Å; L291-R321 HydrophobicContact CD2-CG 3.87Å; L291-P322 VanDerWaalsContact CD2-O 3.25Å; L291-P322 WeakPolarHBondContact CD2-O 3.41Å; L291-I325 PolarHBondContact O-N 2.94Å; L291-I326 HydrophobicContact CB-CD1 4.18Å; L291-L1091 HydrophobicContact CD1-CD2 4.48Å
292	G	98	Very high	98.1	Very high	7 Å²	7	5.4 Å²	5.4	7%	0.072	3%	0.028	C	C	.	.	H	α-helix	trans	-58.1	-79.6	-174	0	0	0	0	0	113.6	T294 G295 T296 Q329	G292-T294 PolarHBondContact O-N 2.99Å; G292-T294 VanDerWaalsContact O-N 3.13Å; G292-G295 PolarHBondContact O-N 3.44Å; G292-G295 VanDerWaalsContact O-N 3.11Å; G292-T296 PolarHBondContact O-N 2.91Å; G292-T296 PolarHBondContact O-OG1 2.82Å; G292-Q329 PolarHBondContact O-OE1 3.32Å
293	R	98.7	Very high	98.1	Very high	6 Å²	6	5.4 Å²	5.4	2%	0.023	3%	0.028	C	C	.	.	H	α-helix	trans	-53.4	-36.3	-178.1	-66.9	-176.3	-86.5	169.9	0.9	113.9	L236 F258 T259 D260 C287 L297	L236-R293 HydrophobicContact CB-CB 4.44Å; L236-R293 HydrophobicContact CD1-CB 4.17Å; L236-R293 WeakPolarHBondContact CD1-O 3.36Å; L236-R293 PolarHBondContact O-NH1 2.67Å; F258-R293 HydrophobicContact CD2-CG 4.04Å; F258-R293 HydrophobicContact CE1-CB 4.07Å; F258-R293 HydrophobicContact CE1-CG 4.34Å; F258-R293 HydrophobicContact CE2-CB 3.87Å; F258-R293 HydrophobicContact CE2-CG 3.44Å; F258-R293 VanDerWaalsContact CE2-CG 3.44Å; F258-R293 HydrophobicContact CZ-CB 3.47Å; F258-R293 VanDerWaalsContact CZ-CB 3.47Å; F258-R293 HydrophobicContact CZ-CG 3.63Å; F258-R293 PolarHBondContact O-NH1 3.49Å; T259-R293 WeakPolarHBondContact O-CD 3.36Å; D260-R293 VanDerWaalsContact CG-CZ 3.46Å; D260-R293 IonicContact OD1-CZ 3.8Å; D260-R293 IonicContact OD1-NE 2.63Å; D260-R293 PolarHBondContact OD1-NE 2.91Å; D260-R293 IonicContact OD1-NH2 3.24Å; D260-R293 PolarHBondContact OD1-NH2 2.89Å; D260-R293 IonicContact OD2-NH2 2.82Å; D260-R293 PolarHBondContact OD2-NH2 3.33Å; D260-R293 VanDerWaalsContact OD2-NH2 3.1Å; C287-R293 HydrophobicContact CB-CB 3.82Å; R293-L297 PolarHBondContact O-N 3.39Å
294	T	98.8	Very high	98.1	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-66.4	-53.3	177.6	-65.2	0	0	0	0	111	A199 V285 C287 G292 T296 L297 I298	A199-T294 HydrophobicContact CB-CG2 3.65Å; V285-T294 HydrophobicContact CB-CG2 4.13Å; V285-T294 HydrophobicContact CG1-CG2 4.06Å; V285-T294 VanDerWaalsContact O-CG2 3.28Å; V285-T294 WeakPolarHBondContact O-CG2 3.44Å; C287-T294 PolarHBondContact N-OG1 2.73Å; C287-T294 VanDerWaalsContact N-OG1 3.16Å; C287-T294 PolarHBondContact SG-OG1 2.81Å; G292-T294 PolarHBondContact O-N 2.99Å; G292-T294 VanDerWaalsContact O-N 3.13Å; T294-T296 VanDerWaalsContact C-N 3.29Å; T294-T296 PolarHBondContact O-N 2.76Å; T294-L297 PolarHBondContact O-N 3.29Å; T294-I298 HydrophobicContact CG2-CD1 3.78Å; T294-I298 WeakPolarHBondContact O-CG1 3.28Å; T294-I298 PolarHBondContact O-N 2.78Å; T294-I298 VanDerWaalsContact O-N 3.13Å
295	G	98.7	Very high	98.1	Very high	2 Å²	2	7.1 Å²	7.1	2%	0.021	4%	0.036	C	C	.	.	H	α-helix	trans	-62.8	-34.3	178.1	0	0	0	0	0	112.7	L291 G292 G299 I317 I325	L291-G295 PolarHBondContact O-N 2.92Å; G292-G295 PolarHBondContact O-N 3.44Å; G292-G295 VanDerWaalsContact O-N 3.11Å; G295-G299 WeakPolarHBondContact O-CA 3.44Å; G295-G299 PolarHBondContact O-N 3Å; G295-I317 WeakPolarHBondContact O-CD1 3.4Å; G295-I325 VanDerWaalsContact C-CG1 3.46Å
296	T	98.8	Very high	98	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-58.8	-51	176.6	-51.2	0	0	0	0	111.9	P264 G292 T294 G299 C300 W332 L333	P264-T296 HydrophobicContact CG-CG2 4.19Å; G292-T296 PolarHBondContact O-N 2.91Å; G292-T296 PolarHBondContact O-OG1 2.82Å; T294-T296 VanDerWaalsContact C-N 3.29Å; T294-T296 PolarHBondContact O-N 2.76Å; T296-G299 PolarHBondContact O-N 3.27Å; T296-C300 PolarHBondContact O-N 3.32Å; T296-C300 VanDerWaalsContact O-N 3.09Å; T296-C300 PolarHBondContact O-SG 3.35Å; T296-C300 VanDerWaalsContact O-SG 3.38Å; T296-W332 HydrophobicContact CG2-CE3 3.61Å; T296-W332 HydrophobicContact CG2-CH2 4.45Å; T296-W332 HydrophobicContact CG2-CZ3 3.49Å; T296-W332 VanDerWaalsContact CG2-CZ3 3.49Å; T296-L333 HydrophobicContact CG2-CD2 4.19Å; T296-L333 HydrophobicContact CG2-CG 4.46Å
297	L	98.9	Very high	98	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-74.4	-39.9	-176.8	-73.8	178.7	0	0	0	113	L236 F258 P264 I268 M269 F272 R293 T294 G299 C300 Y301	L236-L297 HydrophobicContact CD1-CD1 3.95Å; L236-L297 HydrophobicContact CD2-CD1 3.62Å; L236-L297 HydrophobicContact CG-CD1 4.44Å; F258-L297 HydrophobicContact CE1-CD1 3.77Å; F258-L297 HydrophobicContact CE1-CG 4.36Å; F258-L297 HydrophobicContact CZ-CD1 4.3Å; F258-L297 HydrophobicContact CZ-CG 4.41Å; P264-L297 HydrophobicContact CB-CD2 4.13Å; P264-L297 HydrophobicContact CG-CD2 3.8Å; P264-L297 HydrophobicContact CG-CG 4.38Å; I268-L297 HydrophobicContact CG2-CD1 4.14Å; M269-L297 HydrophobicContact CB-CD2 4.44Å; F272-L297 HydrophobicContact CB-CD1 4.19Å; F272-L297 HydrophobicContact CB-CD2 4.13Å; F272-L297 HydrophobicContact CD1-CB 3.85Å; F272-L297 HydrophobicContact CD1-CD2 4.43Å; F272-L297 HydrophobicContact CD2-CB 3.87Å; F272-L297 HydrophobicContact CD2-CD1 3.83Å; F272-L297 HydrophobicContact CD2-CG 4.37Å; F272-L297 HydrophobicContact CE1-CB 3.85Å; F272-L297 WeakPolarHBondContact CE1-O 3.33Å; F272-L297 HydrophobicContact CE2-CB 3.85Å; F272-L297 HydrophobicContact CE2-CD1 4.43Å; F272-L297 HydrophobicContact CG-CB 3.86Å; F272-L297 HydrophobicContact CG-CD1 4.03Å; F272-L297 HydrophobicContact CG-CD2 4.21Å; F272-L297 HydrophobicContact CG-CG 4.26Å; F272-L297 HydrophobicContact CZ-CB 3.84Å; R293-L297 PolarHBondContact O-N 3.39Å; T294-L297 PolarHBondContact O-N 3.29Å; L297-G299 PolarHBondContact O-N 2.86Å; L297-C300 WeakPolarHBondContact O-CB 3.4Å; L297-C300 PolarHBondContact O-N 3.47Å; L297-Y301 PolarHBondContact O-N 3.44Å
298	I	98.9	Very high	98	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-60.5	-35.5	171	-60.8	172.1	0	0	0	110.2	I192 F197 A199 F272 V285 T294 Y301 L302 I317	I192-I298 HydrophobicContact CB-CG2 4.29Å; I192-I298 HydrophobicContact CG1-CD1 4.23Å; I192-I298 HydrophobicContact CG2-CG2 3.77Å; F197-I298 HydrophobicContact CB-CG2 4.27Å; F197-I298 HydrophobicContact CD1-CD1 4.24Å; F197-I298 HydrophobicContact CD1-CG1 3.89Å; F197-I298 HydrophobicContact CD1-CG2 4.34Å; F197-I298 HydrophobicContact CD2-CG2 4.42Å; F197-I298 HydrophobicContact CE1-CG1 4.27Å; F197-I298 HydrophobicContact CG-CG1 4.44Å; F197-I298 HydrophobicContact CG-CG2 4.09Å; A199-I298 HydrophobicContact CB-CD1 4.15Å; F272-I298 HydrophobicContact CZ-CG1 4.23Å; V285-I298 HydrophobicContact CB-CD1 4.21Å; V285-I298 HydrophobicContact CB-CG1 4.47Å; V285-I298 HydrophobicContact CG2-CD1 4.36Å; V285-I298 HydrophobicContact CG2-CG1 4.3Å; T294-I298 HydrophobicContact CG2-CD1 3.78Å; T294-I298 WeakPolarHBondContact O-CG1 3.28Å; T294-I298 PolarHBondContact O-N 2.78Å; T294-I298 VanDerWaalsContact O-N 3.13Å; I298-Y301 WeakPolarHBondContact O-CB 3.19Å; I298-Y301 PolarHBondContact O-N 3.37Å; I298-Y301 VanDerWaalsContact O-N 3.16Å; I298-L302 HydrophobicContact CG2-CD1 4.49Å; I298-L302 PolarHBondContact O-N 3.11Å; I298-I317 HydrophobicContact CG2-CD1 4.46Å
299	G	98.8	Very high	98.2	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61.2	-42.1	174.4	0	0	0	0	0	113.8	G295 T296 L297 Y301 L302 M303	G295-G299 WeakPolarHBondContact O-CA 3.44Å; G295-G299 PolarHBondContact O-N 3Å; T296-G299 PolarHBondContact O-N 3.27Å; L297-G299 PolarHBondContact O-N 2.86Å; G299-Y301 VanDerWaalsContact C-N 3.27Å; G299-Y301 PolarHBondContact O-N 3.37Å; G299-L302 PolarHBondContact O-N 3.44Å; G299-M303 WeakPolarHBondContact O-CG 3.31Å; G299-M303 PolarHBondContact O-N 3.02Å
300	C	98.9	Very high	98.4	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-57.1	-40.8	171.9	-63.2	0	0	0	0	112.1	M269 L273 T296 L297 K304	M269-C300 HydrophobicContact CG-CB 4.09Å; M269-C300 HydrophobicContact SD-CB 4.39Å; L273-C300 HydrophobicContact CD2-CB 4.32Å; T296-C300 PolarHBondContact O-N 3.32Å; T296-C300 VanDerWaalsContact O-N 3.09Å; T296-C300 PolarHBondContact O-SG 3.35Å; T296-C300 VanDerWaalsContact O-SG 3.38Å; L297-C300 WeakPolarHBondContact O-CB 3.4Å; L297-C300 PolarHBondContact O-N 3.47Å; C300-K304 VanDerWaalsContact O-CB 3.3Å; C300-K304 WeakPolarHBondContact O-CB 3.48Å; C300-K304 PolarHBondContact O-N 3.16Å
301	Y	98.8	Very high	98.5	Very high	19 Å²	19	16.5 Å²	16.5	8%	0.075	7%	0.074	C	C	.	.	H	α-helix	trans	-65.6	-44.6	176.5	-170.3	-80.3	0	0	0	111.7	F197 L273 C276 E277 L297 I298 G299 K304 H305 Y306	F197-Y301 HydrophobicContact CD2-CD1 4.37Å; F197-Y301 AromaticContact CE2-CD1 3.47Å; F197-Y301 HydrophobicContact CE2-CD1 3.47Å; F197-Y301 VanDerWaalsContact CE2-CD1 3.47Å; F197-Y301 AromaticContact CE2-CD2 3.93Å; F197-Y301 HydrophobicContact CE2-CD2 3.93Å; F197-Y301 AromaticContact CE2-CE1 3.73Å; F197-Y301 HydrophobicContact CE2-CE1 3.73Å; F197-Y301 HydrophobicContact CE2-CE2 4.16Å; F197-Y301 AromaticContact CE2-CG 3.57Å; F197-Y301 HydrophobicContact CE2-CG 3.57Å; F197-Y301 HydrophobicContact CZ-CD1 4.17Å; F197-Y301 AromaticContact CZ-CD2 3.84Å; F197-Y301 HydrophobicContact CZ-CD2 3.84Å; F197-Y301 HydrophobicContact CZ-CE2 4.27Å; F197-Y301 AromaticContact CZ-CG 3.78Å; F197-Y301 HydrophobicContact CZ-CG 3.78Å; L273-Y301 HydrophobicContact CD2-CD2 4.17Å; C276-Y301 HydrophobicContact CB-CD2 3.65Å; C276-Y301 HydrophobicContact CB-CE2 3.67Å; E277-Y301 HydrophobicContact CG-CE2 4.22Å; L297-Y301 PolarHBondContact O-N 3.44Å; I298-Y301 WeakPolarHBondContact O-CB 3.19Å; I298-Y301 PolarHBondContact O-N 3.37Å; I298-Y301 VanDerWaalsContact O-N 3.16Å; G299-Y301 VanDerWaalsContact C-N 3.27Å; G299-Y301 PolarHBondContact O-N 3.37Å; Y301-K304 PolarHBondContact O-N 2.9Å; Y301-H305 HydrophobicContact CD1-CB 4.33Å; Y301-H305 AromaticContact CD1-CD2 3.73Å; Y301-H305 AromaticContact CD2-CD2 3.48Å; Y301-H305 VanDerWaalsContact CD2-CD2 3.48Å; Y301-H305 WeakPolarHBondContact CD2-CD2 3.3Å; Y301-H305 AromaticContact CD2-NE2 3.55Å; Y301-H305 HydrophobicContact CE1-CB 4.02Å; Y301-H305 AromaticContact CE1-CD2 3.63Å; Y301-H305 AromaticContact CE1-CG 3.91Å; Y301-H305 AromaticContact CE2-CD2 3.37Å; Y301-H305 WeakPolarHBondContact CE2-CD2 3.4Å; Y301-H305 AromaticContact CE2-NE2 3.36Å; Y301-H305 WeakPolarHBondContact CE2-NE2 3.06Å; Y301-H305 AromaticContact CG-CD2 3.67Å; Y301-H305 AromaticContact CZ-CD2 3.45Å; Y301-H305 VanDerWaalsContact CZ-CD2 3.45Å; Y301-H305 AromaticContact CZ-CG 3.88Å; Y301-H305 PolarHBondContact O-CD2 2.79Å; Y301-H305 PolarHBondContact O-N 3.48Å; Y301-Y306 HydrophobicContact CD1-CE2 4.25Å; Y301-Y306 AromaticContact CE1-CE2 3.93Å; Y301-Y306 HydrophobicContact CE1-CE2 3.93Å
302	L	98.8	Very high	98.6	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60	-47	176.8	-79.7	167.1	0	0	0	112.3	F167 I192 I193 I298 G299 Y306 V313 I317	F167-L302 HydrophobicContact CD2-CD2 4.38Å; F167-L302 HydrophobicContact CE2-CD2 3.52Å; F167-L302 HydrophobicContact CZ-CD2 3.8Å; I192-L302 HydrophobicContact CG2-CD1 4.35Å; I193-L302 HydrophobicContact CD1-CD2 3.57Å; I193-L302 HydrophobicContact CD1-CG 4.22Å; I193-L302 HydrophobicContact CG1-CD2 4.07Å; I298-L302 HydrophobicContact CG2-CD1 4.49Å; I298-L302 PolarHBondContact O-N 3.11Å; G299-L302 PolarHBondContact O-N 3.44Å; L302-Y306 HydrophobicContact CD2-CD2 4.06Å; L302-Y306 HydrophobicContact CD2-CE2 4.41Å; L302-Y306 PolarHBondContact O-N 3.47Å; L302-Y306 VanDerWaalsContact O-N 3.13Å; L302-V313 HydrophobicContact CB-CG2 3.58Å; L302-V313 HydrophobicContact CD1-CG1 4.42Å; L302-V313 HydrophobicContact CD1-CG2 4.25Å; L302-I317 HydrophobicContact CD1-CD1 3.97Å; L302-I317 HydrophobicContact CD1-CG1 3.97Å
303	M	98.8	Very high	98.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.1	-44.6	175.9	-64	-169.1	-60.2	0	0	111.2	G299 K307 L308 V313 L333 Q337 C340 W341	G299-M303 WeakPolarHBondContact O-CG 3.31Å; G299-M303 PolarHBondContact O-N 3.02Å; M303-K307 WeakPolarHBondContact O-CA 3.48Å; M303-K307 PolarHBondContact O-N 2.8Å; M303-L308 WeakPolarHBondContact CG-O 3.43Å; M303-V313 HydrophobicContact CG-CG2 3.78Å; M303-L333 HydrophobicContact CE-CB 4.37Å; M303-L333 HydrophobicContact CE-CD2 3.66Å; M303-Q337 HydrophobicContact SD-CB 3.75Å; M303-Q337 HydrophobicContact SD-CG 4.05Å; M303-C340 HydrophobicContact CB-CB 3.74Å; M303-C340 HydrophobicContact CE-CB 4.27Å; M303-W341 VanDerWaalsContact O-CD1 3.23Å
304	K	98.6	Very high	98.6	Very high	11 Å²	11	16.4 Å²	16.4	5%	0.048	7%	0.072	C	C	.	.	H	α-helix	trans	-63.5	-58.7	-179.5	179.9	167	-178.1	-80.9	0	112.3	L273 E277 C300 Y301 C340 F343 G344 R348	L273-K304 HydrophobicContact CD1-CD 3.93Å; L273-K304 HydrophobicContact CD2-CD 4.15Å; L273-K304 HydrophobicContact CG-CD 4.49Å; E277-K304 IonicContact OE1-NZ 3.61Å; E277-K304 PolarHBondContact OE1-NZ 3.39Å; E277-K304 IonicContact OE2-NZ 2.71Å; E277-K304 PolarHBondContact OE2-NZ 3.11Å; C300-K304 VanDerWaalsContact O-CB 3.3Å; C300-K304 WeakPolarHBondContact O-CB 3.48Å; C300-K304 PolarHBondContact O-N 3.16Å; Y301-K304 PolarHBondContact O-N 2.9Å; K304-C340 VanDerWaalsContact CA-O 3.32Å; K304-C340 WeakPolarHBondContact CA-O 3.42Å; K304-C340 HydrophobicContact CB-CB 4.27Å; K304-F343 HydrophobicContact CD-CB 4.03Å; K304-F343 WeakPolarHBondContact CE-O 3.49Å; K304-F343 HydrophobicContact CG-CB 4.47Å; K304-G344 VanDerWaalsContact O-CA 3.24Å; K304-G344 WeakPolarHBondContact O-CA 3.34Å; K304-R348 PolarHBondContact O-NH1 2.88Å
305	H	98.2	Very high	98.6	Very high	25 Å²	25	16.4 Å²	16.4	12%	0.116	7%	0.072	C	C	.	.	H	α-helix	trans	-81.4	-32.9	-166.7	-71.8	-77	0	0	0	113.6	E277 Y301 Y347 R348	E277-H305 WeakPolarHBondContact CG-CE1 3.4Å; E277-H305 WeakPolarHBondContact CG-NE2 3.37Å; E277-H305 IonicContact OE1-CD2 3.83Å; E277-H305 IonicContact OE1-CE1 3.36Å; E277-H305 PolarHBondContact OE1-CE1 3.22Å; E277-H305 VanDerWaalsContact OE1-CE1 3.24Å; E277-H305 IonicContact OE1-NE2 3.43Å; E277-H305 PolarHBondContact OE1-NE2 3.28Å; E277-H305 IonicContact OE2-CE1 3.06Å; E277-H305 PolarHBondContact OE2-CE1 3.07Å; E277-H305 IonicContact OE2-NE2 3.9Å; E277-H305 PolarHBondContact OE2-NE2 2.94Å; Y301-H305 HydrophobicContact CD1-CB 4.33Å; Y301-H305 AromaticContact CD1-CD2 3.73Å; Y301-H305 AromaticContact CD2-CD2 3.48Å; Y301-H305 VanDerWaalsContact CD2-CD2 3.48Å; Y301-H305 WeakPolarHBondContact CD2-CD2 3.3Å; Y301-H305 AromaticContact CD2-NE2 3.55Å; Y301-H305 HydrophobicContact CE1-CB 4.02Å; Y301-H305 AromaticContact CE1-CD2 3.63Å; Y301-H305 AromaticContact CE1-CG 3.91Å; Y301-H305 AromaticContact CE2-CD2 3.37Å; Y301-H305 WeakPolarHBondContact CE2-CD2 3.4Å; Y301-H305 AromaticContact CE2-NE2 3.36Å; Y301-H305 WeakPolarHBondContact CE2-NE2 3.06Å; Y301-H305 AromaticContact CG-CD2 3.67Å; Y301-H305 AromaticContact CZ-CD2 3.45Å; Y301-H305 VanDerWaalsContact CZ-CD2 3.45Å; Y301-H305 AromaticContact CZ-CG 3.88Å; Y301-H305 PolarHBondContact O-CD2 2.79Å; Y301-H305 PolarHBondContact O-N 3.48Å; H305-Y347 AromaticContact CE1-CD1 3.08Å; H305-Y347 WeakPolarHBondContact CE1-CD1 3.39Å; H305-Y347 AromaticContact CE1-CD2 3.39Å; H305-Y347 WeakPolarHBondContact CE1-CD2 3.19Å; H305-Y347 AromaticContact CE1-CE1 2.81Å; H305-Y347 WeakPolarHBondContact CE1-CE1 3.28Å; H305-Y347 AromaticContact CE1-CE2 3.14Å; H305-Y347 WeakPolarHBondContact CE1-CE2 3.36Å; H305-Y347 AromaticContact CE1-CG 3.36Å; H305-Y347 AromaticContact CE1-CZ 2.84Å; H305-Y347 PolarHBondContact CE1-OH 3.49Å; H305-Y347 AromaticContact ND1-CD1 3.79Å; H305-Y347 AromaticContact ND1-CE1 3.69Å; H305-R348 PolarHBondContact O-NH1 2.94Å
306	Y	98	Very high	98.6	Very high	72 Å²	72	16.4 Å²	16.4	28%	0.282	7%	0.072	S	C	.	.	H	α-helix	trans	-115.2	-0.1	-173	-54.4	-85.4	0	0	0	114.4	N165 F167 I193 Y301 L302 L308	N165-Y306 HydrophobicContact CB-CD1 4.24Å; N165-Y306 WeakPolarHBondContact OD1-CD1 3.37Å; F167-Y306 HydrophobicContact CE1-CD1 4.07Å; F167-Y306 HydrophobicContact CE1-CD2 4.45Å; F167-Y306 AromaticContact CE1-CE1 3.65Å; F167-Y306 HydrophobicContact CE1-CE1 3.65Å; F167-Y306 HydrophobicContact CE1-CE2 4.07Å; F167-Y306 HydrophobicContact CE1-CG 4.43Å; F167-Y306 AromaticContact CE1-CZ 3.64Å; F167-Y306 AromaticContact CZ-CD1 3.67Å; F167-Y306 HydrophobicContact CZ-CD1 3.67Å; F167-Y306 AromaticContact CZ-CD2 3.71Å; F167-Y306 HydrophobicContact CZ-CD2 3.71Å; F167-Y306 AromaticContact CZ-CE1 3.72Å; F167-Y306 HydrophobicContact CZ-CE1 3.72Å; F167-Y306 AromaticContact CZ-CE2 3.75Å; F167-Y306 HydrophobicContact CZ-CE2 3.75Å; F167-Y306 AromaticContact CZ-CG 3.65Å; F167-Y306 HydrophobicContact CZ-CG 3.65Å; F167-Y306 AromaticContact CZ-CZ 3.75Å; I193-Y306 HydrophobicContact CD1-CE2 3.77Å; Y301-Y306 HydrophobicContact CD1-CE2 4.25Å; Y301-Y306 AromaticContact CE1-CE2 3.93Å; Y301-Y306 HydrophobicContact CE1-CE2 3.93Å; L302-Y306 HydrophobicContact CD2-CD2 4.06Å; L302-Y306 HydrophobicContact CD2-CE2 4.41Å; L302-Y306 PolarHBondContact O-N 3.47Å; L302-Y306 VanDerWaalsContact O-N 3.13Å; Y306-L308 VanDerWaalsContact C-N 3.25Å; Y306-L308 PolarHBondContact O-N 2.97Å
307	K	97.7	Very high	98.6	Very high	86 Å²	86	16.5 Å²	16.5	37%	0.374	7%	0.072	S	C	.	.			trans	53.8	38.7	177.6	-157.2	173.9	177.2	171.6	0	113.4	M303 W341 E345	M303-K307 WeakPolarHBondContact O-CA 3.48Å; M303-K307 PolarHBondContact O-N 2.8Å; K307-W341 HydrophobicContact CG-CD2 3.83Å; K307-W341 HydrophobicContact CG-CE3 4.42Å; K307-W341 HydrophobicContact CG-CG 3.96Å; K307-W341 HydrophobicContact CG-CZ2 4.27Å; K307-E345 IonicContact NZ-OE1 2.72Å; K307-E345 PolarHBondContact NZ-OE1 3.29Å
308	L	98.4	Very high	98.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	7%	0.073	C	C	.	.			trans	-73.3	150.2	162.5	-82.9	67.9	0	0	0	109.5	K161 M303 Y306 E312 V313 W341	K161-L308 HydrophobicContact CB-CD1 4.14Å; K161-L308 HydrophobicContact CB-CD2 4.16Å; K161-L308 HydrophobicContact CB-CG 3.99Å; K161-L308 HydrophobicContact CD-CD1 4.42Å; K161-L308 HydrophobicContact CD-CG 4.45Å; K161-L308 HydrophobicContact CG-CD1 4.44Å; K161-L308 HydrophobicContact CG-CG 4.09Å; M303-L308 WeakPolarHBondContact CG-O 3.43Å; Y306-L308 VanDerWaalsContact C-N 3.25Å; Y306-L308 PolarHBondContact O-N 2.97Å; L308-E312 WeakPolarHBondContact CA-OE2 2.82Å; L308-E312 HydrophobicContact CB-CB 4.12Å; L308-E312 HydrophobicContact CD2-CB 4.13Å; L308-E312 HydrophobicContact CG-CB 4.13Å; L308-V313 HydrophobicContact CB-CG2 3.73Å; L308-V313 HydrophobicContact CD2-CG2 4.1Å; L308-W341 PolarHBondContact O-NE1 2.92Å
309	T	98.7	Very high	98.6	Very high	37 Å²	37	16.7 Å²	16.7	23%	0.227	7%	0.072	C	C	.	.			trans	-70.5	161.9	165.4	58.9	0	0	0	0	111.5	R311 E312 V313 W341	T309-R311 PolarHBondContact O-N 3.39Å; T309-E312 PolarHBondContact N-OE2 2.84Å; T309-E312 PolarHBondContact O-N 2.85Å; T309-E312 WeakPolarHBondContact OG1-CB 3.3Å; T309-E312 VanDerWaalsContact OG1-CD 3.29Å; T309-E312 WeakPolarHBondContact OG1-CG 3.45Å; T309-E312 PolarHBondContact OG1-N 3.35Å; T309-E312 VanDerWaalsContact OG1-N 3.1Å; T309-E312 PolarHBondContact OG1-OE2 3.45Å; T309-V313 WeakPolarHBondContact O-CB 3.07Å; T309-V313 WeakPolarHBondContact O-CG2 2.81Å; T309-V313 PolarHBondContact O-N 2.67Å; T309-W341 HydrophobicContact CG2-CH2 4.09Å; T309-W341 HydrophobicContact CG2-CZ2 3.83Å
310	S	98.7	Very high	98.6	Very high	3 Å²	3	16.7 Å²	16.7	2%	0.021	7%	0.073	C	C	.	.	H	α-helix	trans	-55.3	-39.4	171.1	57.4	0	0	0	0	111.9	V313 I314 D334 Q337	S310-V313 WeakPolarHBondContact O-CB 3.14Å; S310-V313 PolarHBondContact O-N 3.28Å; S310-I314 WeakPolarHBondContact O-CD1 3.08Å; S310-I314 WeakPolarHBondContact O-CG1 3.39Å; S310-I314 PolarHBondContact O-N 3.09Å; S310-D334 WeakPolarHBondContact CB-OD1 3.46Å; S310-D334 PolarHBondContact OG-OD1 2.82Å; S310-Q337 PolarHBondContact OG-OE1 3.4Å
311	R	98.7	Very high	98.6	Very high	75 Å²	75	17.1 Å²	17.1	28%	0.283	7%	0.074	S	C	.	.	H	α-helix	trans	-65.6	-49.4	178.7	-70.8	177.9	168.3	-80.3	-17.7	112.6	Y148 H149 L150 D154 T309 V313 I314 G315	Y148-R311 VanDerWaalsContact OH-CG 3.31Å; Y148-R311 WeakPolarHBondContact OH-CG 3.39Å; H149-R311 PolarHBondContact O-NH1 3.13Å; L150-R311 HydrophobicContact CD2-CB 4Å; L150-R311 HydrophobicContact CD2-CG 4.09Å; D154-R311 HydrophobicContact CB-CB 4.27Å; D154-R311 WeakPolarHBondContact OD1-CD 3.46Å; D154-R311 IonicContact OD2-NH1 3.07Å; D154-R311 PolarHBondContact OD2-NH1 3.3Å; T309-R311 PolarHBondContact O-N 3.39Å; R311-V313 VanDerWaalsContact C-N 3.26Å; R311-V313 PolarHBondContact O-N 3.26Å; R311-I314 PolarHBondContact O-N 3.32Å; R311-G315 PolarHBondContact O-N 3.3Å
312	E	98.7	Very high	98.6	Very high	13 Å²	13	17.4 Å²	17.4	6%	0.061	8%	0.078	C	C	.	.	H	α-helix	trans	-59.5	-38.8	173.3	-72.4	164.8	139.9	0	0	111.5	F157 A158 K161 L308 T309 W316	F157-E312 HydrophobicContact CB-CG 3.74Å; A158-E312 VanDerWaalsContact CB-O 3.27Å; A158-E312 WeakPolarHBondContact CB-O 3.15Å; K161-E312 WeakPolarHBondContact CE-OE1 3.47Å; K161-E312 HydrophobicContact CG-CG 4.35Å; K161-E312 WeakPolarHBondContact CG-OE1 3.42Å; K161-E312 IonicContact NZ-OE1 2.79Å; L308-E312 WeakPolarHBondContact CA-OE2 2.82Å; L308-E312 HydrophobicContact CB-CB 4.12Å; L308-E312 HydrophobicContact CD2-CB 4.13Å; L308-E312 HydrophobicContact CG-CB 4.13Å; T309-E312 PolarHBondContact N-OE2 2.84Å; T309-E312 PolarHBondContact O-N 2.85Å; T309-E312 WeakPolarHBondContact OG1-CB 3.3Å; T309-E312 VanDerWaalsContact OG1-CD 3.29Å; T309-E312 WeakPolarHBondContact OG1-CG 3.45Å; T309-E312 PolarHBondContact OG1-N 3.35Å; T309-E312 VanDerWaalsContact OG1-N 3.1Å; T309-E312 PolarHBondContact OG1-OE2 3.45Å; E312-W316 WeakPolarHBondContact O-CB 3.24Å; E312-W316 PolarHBondContact O-N 3.01Å
313	V	98.8	Very high	98.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.4	-49.2	176.3	161.5	0	0	0	0	112.3	L302 M303 L308 T309 S310 R311 G315 W316 I317 I325	L302-V313 HydrophobicContact CB-CG2 3.58Å; L302-V313 HydrophobicContact CD1-CG1 4.42Å; L302-V313 HydrophobicContact CD1-CG2 4.25Å; M303-V313 HydrophobicContact CG-CG2 3.78Å; L308-V313 HydrophobicContact CB-CG2 3.73Å; L308-V313 HydrophobicContact CD2-CG2 4.1Å; T309-V313 WeakPolarHBondContact O-CB 3.07Å; T309-V313 WeakPolarHBondContact O-CG2 2.81Å; T309-V313 PolarHBondContact O-N 2.67Å; S310-V313 WeakPolarHBondContact O-CB 3.14Å; S310-V313 PolarHBondContact O-N 3.28Å; R311-V313 VanDerWaalsContact C-N 3.26Å; R311-V313 PolarHBondContact O-N 3.26Å; V313-G315 VanDerWaalsContact C-N 3.28Å; V313-G315 PolarHBondContact O-N 2.99Å; V313-W316 PolarHBondContact O-N 3.18Å; V313-I317 HydrophobicContact CG1-CD1 3.76Å; V313-I317 HydrophobicContact CG1-CG1 4.45Å; V313-I317 WeakPolarHBondContact O-CB 3.32Å; V313-I317 VanDerWaalsContact O-CG1 3.25Å; V313-I317 WeakPolarHBondContact O-CG1 3.38Å; V313-I317 PolarHBondContact O-N 3.32Å; V313-I325 HydrophobicContact CG1-CD1 4.38Å
314	I	98.8	Very high	98.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63.8	-38.8	178.5	-59.9	155.9	0	0	0	109.7	Y148 L150 S310 R311 R318 I325 Q330 L333	Y148-I314 HydrophobicContact CE1-CD1 3.7Å; L150-I314 HydrophobicContact CD1-CB 4.08Å; L150-I314 HydrophobicContact CD1-CG2 3.8Å; L150-I314 HydrophobicContact CD2-CB 4.37Å; L150-I314 HydrophobicContact CG-CG2 4.39Å; S310-I314 WeakPolarHBondContact O-CD1 3.08Å; S310-I314 WeakPolarHBondContact O-CG1 3.39Å; S310-I314 PolarHBondContact O-N 3.09Å; R311-I314 PolarHBondContact O-N 3.32Å; I314-R318 HydrophobicContact CG2-CG 4.48Å; I314-R318 VanDerWaalsContact O-CB 3.31Å; I314-R318 WeakPolarHBondContact O-CB 3.43Å; I314-R318 VanDerWaalsContact O-CG 3.27Å; I314-R318 WeakPolarHBondContact O-CG 3.41Å; I314-R318 PolarHBondContact O-N 3.22Å; I314-I325 HydrophobicContact CB-CD1 4.32Å; I314-I325 HydrophobicContact CG1-CB 4.42Å; I314-I325 HydrophobicContact CG1-CD1 3.77Å; I314-I325 HydrophobicContact CG1-CG2 4.18Å; I314-I325 HydrophobicContact CG2-CB 4.47Å; I314-Q330 HydrophobicContact CD1-CB 4.06Å; I314-Q330 HydrophobicContact CD1-CG 4.21Å; I314-L333 HydrophobicContact CD1-CD1 4.4Å; I314-L333 HydrophobicContact CG1-CD1 4Å
315	G	98.7	Very high	98.4	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.2	-56.3	173.6	0	0	0	0	0	112.3	R311 V313 I317 R318 I319	R311-G315 PolarHBondContact O-N 3.3Å; V313-G315 VanDerWaalsContact C-N 3.28Å; V313-G315 PolarHBondContact O-N 2.99Å; G315-I317 PolarHBondContact O-N 2.93Å; G315-R318 PolarHBondContact O-N 3.36Å; G315-I319 VanDerWaalsContact O-CG1 3.29Å; G315-I319 WeakPolarHBondContact O-CG1 3.46Å; G315-I319 PolarHBondContact O-N 3.33Å
316	W	98.8	Very high	98.4	Very high	3 Å²	3	16.9 Å²	16.9	1%	0.011	8%	0.077	C	C	.	.	H	α-helix	trans	-61.4	-46.1	-177.5	178.4	-118.6	0	0	0	112.4	L66 A158 A162 F167 L168 I192 E312 V313 R318 I319 C320	L66-W316 HydrophobicContact CD2-CH2 4.43Å; A158-W316 HydrophobicContact CB-CB 4.16Å; A162-W316 HydrophobicContact CB-CD2 3.62Å; A162-W316 HydrophobicContact CB-CE3 3.35Å; A162-W316 HydrophobicContact CB-CH2 3.6Å; A162-W316 HydrophobicContact CB-CZ2 3.84Å; A162-W316 HydrophobicContact CB-CZ3 3.34Å; F167-W316 HydrophobicContact CB-CH2 4.36Å; F167-W316 HydrophobicContact CB-CZ2 3.52Å; F167-W316 AromaticContact CD2-NE1 3.74Å; L168-W316 HydrophobicContact CB-CH2 3.93Å; L168-W316 HydrophobicContact CB-CZ3 4.33Å; L168-W316 HydrophobicContact CD1-CH2 4.38Å; I192-W316 PolarHBondContact O-NE1 3.31Å; E312-W316 WeakPolarHBondContact O-CB 3.24Å; E312-W316 PolarHBondContact O-N 3.01Å; V313-W316 PolarHBondContact O-N 3.18Å; W316-R318 VanDerWaalsContact C-N 3.31Å; W316-R318 PolarHBondContact O-N 3.16Å; W316-I319 HydrophobicContact CZ3-CG2 4.45Å; W316-I319 PolarHBondContact O-N 3.42Å; W316-C320 WeakPolarHBondContact CZ2-SG 3.48Å; W316-C320 PolarHBondContact O-N 2.56Å; W316-C320 PolarHBondContact O-SG 3.32Å
317	I	98.8	Very high	98.3	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-65.5	-35.3	179.8	-60.7	178.2	0	0	0	110.5	I192 G295 I298 L302 V313 G315 R321 S324 I325	I192-I317 HydrophobicContact CD1-CG2 4.13Å; I192-I317 HydrophobicContact CG2-CD1 4.44Å; I192-I317 HydrophobicContact CG2-CG1 3.79Å; G295-I317 WeakPolarHBondContact O-CD1 3.4Å; I298-I317 HydrophobicContact CG2-CD1 4.46Å; L302-I317 HydrophobicContact CD1-CD1 3.97Å; L302-I317 HydrophobicContact CD1-CG1 3.97Å; V313-I317 HydrophobicContact CG1-CD1 3.76Å; V313-I317 HydrophobicContact CG1-CG1 4.45Å; V313-I317 WeakPolarHBondContact O-CB 3.32Å; V313-I317 VanDerWaalsContact O-CG1 3.25Å; V313-I317 WeakPolarHBondContact O-CG1 3.38Å; V313-I317 PolarHBondContact O-N 3.32Å; G315-I317 PolarHBondContact O-N 2.93Å; I317-R321 CarbonylContact O-C 3.59Å; I317-R321 WeakPolarHBondContact O-CA 3.28Å; I317-R321 PolarHBondContact O-N 3.44Å; I317-R321 VanDerWaalsContact O-O 3.09Å; I317-S324 VanDerWaalsContact CG2-CB 3.47Å; I317-I325 HydrophobicContact CD1-CD1 3.96Å
318	R	98.7	Very high	98.3	Very high	5 Å²	5	13.6 Å²	13.6	2%	0.019	8%	0.075	C	C	.	.	H	α-helix	trans	-71.4	-34.7	174.8	-75.6	-179.3	-175.3	162.7	11.2	113.8	I314 G315 W316 R321 P322 S324 I325	I314-R318 HydrophobicContact CG2-CG 4.48Å; I314-R318 VanDerWaalsContact O-CB 3.31Å; I314-R318 WeakPolarHBondContact O-CB 3.43Å; I314-R318 VanDerWaalsContact O-CG 3.27Å; I314-R318 WeakPolarHBondContact O-CG 3.41Å; I314-R318 PolarHBondContact O-N 3.22Å; G315-R318 PolarHBondContact O-N 3.36Å; W316-R318 VanDerWaalsContact C-N 3.31Å; W316-R318 PolarHBondContact O-N 3.16Å; R318-R321 CarbonylContact O-C 3.6Å; R318-P322 VanDerWaalsContact O-CA 3.3Å; R318-P322 WeakPolarHBondContact O-CA 3.23Å; R318-P322 WeakPolarHBondContact O-CD 3.16Å; R318-P322 VanDerWaalsContact O-N 3.11Å; R318-S324 PolarHBondContact NE-O 2.89Å; R318-S324 PolarHBondContact NH2-O 3.3Å; R318-I325 PolarHBondContact NH2-O 2.82Å
319	I	98.7	Very high	98.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.6	-44.3	173.1	-66.7	162.9	0	0	0	109.8	P63 S65 L66 F106 V159 G315 W316	P63-I319 HydrophobicContact CB-CG1 4.31Å; P63-I319 HydrophobicContact CG-CG1 3.8Å; S65-I319 CarbonylContact C-O 3.47Å; S65-I319 WeakPolarHBondContact CA-O 3.14Å; L66-I319 HydrophobicContact CB-CG2 4.16Å; L66-I319 HydrophobicContact CD1-CG2 4.33Å; L66-I319 PolarHBondContact N-O 2.9Å; F106-I319 HydrophobicContact CE2-CD1 3.69Å; F106-I319 HydrophobicContact CE2-CG1 4.18Å; F106-I319 HydrophobicContact CZ-CD1 3.7Å; F106-I319 HydrophobicContact CZ-CG1 3.75Å; F106-I319 HydrophobicContact CZ-CG2 4.46Å; V159-I319 HydrophobicContact CG2-CD1 3.77Å; G315-I319 VanDerWaalsContact O-CG1 3.29Å; G315-I319 WeakPolarHBondContact O-CG1 3.46Å; G315-I319 PolarHBondContact O-N 3.33Å; W316-I319 HydrophobicContact CZ3-CG2 4.45Å; W316-I319 PolarHBondContact O-N 3.42Å
320	C	98.6	Very high	98.3	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.007	6%	0.064	C	C	.	.	H	α-helix	trans	-67.4	-43.7	176.1	-64.8	0	0	0	0	113	Y178 W191 I192 W316	Y178-C320 PolarHBondContact OH-O 3.37Å; W191-C320 WeakPolarHBondContact O-CB 3.43Å; I192-C320 HydrophobicContact CD1-CB 3.65Å; W316-C320 WeakPolarHBondContact CZ2-SG 3.48Å; W316-C320 PolarHBondContact O-N 2.56Å; W316-C320 PolarHBondContact O-SG 3.32Å
321	R	98.3	Very high	98.3	Very high	8 Å²	8	15.5 Å²	15.5	3%	0.03	8%	0.081	C	C	.	.	S	Bend	trans	-145.5	93	-173.8	-171.5	169	174.2	65.8	9.8	110.5	D188 S190 I192 A289 G290 L291 I317 R318 S324	D188-R321 PolarHBondContact O-NH1 3.26Å; D188-R321 PolarHBondContact O-NH2 3.13Å; D188-R321 IonicContact OD1-CZ 3.1Å; D188-R321 VanDerWaalsContact OD1-CZ 3.24Å; D188-R321 IonicContact OD1-NH1 2.78Å; D188-R321 PolarHBondContact OD1-NH1 2.96Å; D188-R321 IonicContact OD1-NH2 2.68Å; D188-R321 PolarHBondContact OD1-NH2 2.96Å; D188-R321 IonicContact OD2-NH2 2.86Å; D188-R321 PolarHBondContact OD2-NH2 3.29Å; S190-R321 PolarHBondContact OG-NH1 3.15Å; I192-R321 HydrophobicContact CD1-CB 3.96Å; A289-R321 PolarHBondContact O-NH2 3.09Å; G290-R321 PolarHBondContact O-NE 3.49Å; L291-R321 HydrophobicContact CD2-CG 3.87Å; I317-R321 CarbonylContact O-C 3.59Å; I317-R321 WeakPolarHBondContact O-CA 3.28Å; I317-R321 PolarHBondContact O-N 3.44Å; I317-R321 VanDerWaalsContact O-O 3.09Å; R318-R321 CarbonylContact O-C 3.6Å; R321-S324 WeakPolarHBondContact O-CB 3.34Å; R321-S324 PolarHBondContact O-N 2.93Å; R321-S324 PolarHBondContact O-OG 2.95Å
322	P	98.2	Very high	98.3	Very high	25 Å²	25	13.5 Å²	13.5	16%	0.162	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	150.3	-177.8	-33.3	38.4	0	0	0	114.9	Y54 F57 L291 R318 S324	Y54-P322 HydrophobicContact CE2-CB 3.88Å; Y54-P322 HydrophobicContact CE2-CG 4.34Å; F57-P322 HydrophobicContact CE2-CB 4.2Å; F57-P322 VanDerWaalsContact CE2-O 3.28Å; F57-P322 WeakPolarHBondContact CE2-O 3.43Å; L291-P322 VanDerWaalsContact CD2-O 3.25Å; L291-P322 WeakPolarHBondContact CD2-O 3.41Å; R318-P322 VanDerWaalsContact O-CA 3.3Å; R318-P322 WeakPolarHBondContact O-CA 3.23Å; R318-P322 WeakPolarHBondContact O-CD 3.16Å; R318-P322 VanDerWaalsContact O-N 3.11Å; P322-S324 PolarHBondContact O-N 3.47Å
323	G	97	Very high	98.3	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.01	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	0.5	-179	0	0	0	0	0	116.3	I326	G323-I326 WeakPolarHBondContact O-CG1 3.31Å
324	S	98.5	Very high	98.2	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.007	9%	0.085	C	C	.	.			trans	-67.4	149.5	179	-65.3	0	0	0	0	114.1	I317 R318 R321 P322	I317-S324 VanDerWaalsContact CG2-CB 3.47Å; R318-S324 PolarHBondContact NE-O 2.89Å; R318-S324 PolarHBondContact NH2-O 3.3Å; R321-S324 WeakPolarHBondContact O-CB 3.34Å; R321-S324 PolarHBondContact O-N 2.93Å; R321-S324 PolarHBondContact O-OG 2.95Å; P322-S324 PolarHBondContact O-N 3.47Å
325	I	98.4	Very high	98.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	57.3	107.7	-176.3	-56.1	160.8	0	0	0	112.4	L291 G295 V313 I314 I317 R318 Q329 Q330 L333	L291-I325 PolarHBondContact O-N 2.94Å; G295-I325 VanDerWaalsContact C-CG1 3.46Å; V313-I325 HydrophobicContact CG1-CD1 4.38Å; I314-I325 HydrophobicContact CB-CD1 4.32Å; I314-I325 HydrophobicContact CG1-CB 4.42Å; I314-I325 HydrophobicContact CG1-CD1 3.77Å; I314-I325 HydrophobicContact CG1-CG2 4.18Å; I314-I325 HydrophobicContact CG2-CB 4.47Å; I317-I325 HydrophobicContact CD1-CD1 3.96Å; R318-I325 PolarHBondContact NH2-O 2.82Å; I325-Q329 HydrophobicContact CG2-CB 3.88Å; I325-Q330 HydrophobicContact CG2-CG 3.8Å; I325-L333 HydrophobicContact CD1-CD1 3.66Å; I325-L333 HydrophobicContact CG1-CD1 4.28Å; I325-L333 HydrophobicContact CG2-CD1 3.86Å
326	I	96.6	Very high	98.2	Very high	23 Å²	23	22.9 Å²	22.9	12%	0.118	12%	0.122	C	C	.	.			trans	-122.5	135.7	-161.4	-56.7	176.9	0	0	0	111.4	L291 G323 Q329 L1091	L291-I326 HydrophobicContact CB-CD1 4.18Å; G323-I326 WeakPolarHBondContact O-CG1 3.31Å; I326-Q329 VanDerWaalsContact N-OE1 3.09Å; I326-Q329 WeakPolarHBondContact O-CB 3.32Å; I326-Q329 WeakPolarHBondContact O-CG 3.46Å; I326-Q329 PolarHBondContact O-N 3.26Å; I326-Q329 PolarHBondContact O-OE1 3.24Å; I326-L1091 HydrophobicContact CD1-CD2 3.64Å
327	G	96.4	Very high	98.2	Very high	8 Å²	8	24.4 Å²	24.4	8%	0.082	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	-127.2	172.2	0	0	0	0	0	113.4	D140 Q329 Q330	D140-G327 PolarHBondContact OD2-N 3.12Å; G327-Q329 PolarHBondContact O-N 3.39Å; G327-Q329 VanDerWaalsContact O-N 3.07Å; G327-Q330 PolarHBondContact O-N 3.31Å; G327-Q330 PolarHBondContact O-NE2 2.9Å; G327-Q330 VanDerWaalsContact O-NE2 3.08Å
328	P	97.1	Very high	98.2	Very high	81 Å²	81	28.1 Å²	28.1	53%	0.526	15%	0.153	S	C	.	.	H	α-helix	trans	-56.6	-22.6	-178.2	-26.1	35.1	0	0	0	115.3	Q330 H331 W332	P328-Q330 PolarHBondContact O-N 3.22Å; P328-H331 PolarHBondContact O-N 3.44Å; P328-W332 PolarHBondContact O-N 3.25Å; P328-W332 VanDerWaalsContact O-N 3.08Å
329	Q	98.3	Very high	98.1	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.009	16%	0.164	C	C	.	.	H	α-helix	trans	-62.5	-22.9	-179.7	-65.7	167.5	-12.9	0	0	113	S262 G292 I325 I326 G327 L333	S262-Q329 PolarHBondContact O-NE2 3.5Å; G292-Q329 PolarHBondContact O-OE1 3.32Å; I325-Q329 HydrophobicContact CG2-CB 3.88Å; I326-Q329 VanDerWaalsContact N-OE1 3.09Å; I326-Q329 WeakPolarHBondContact O-CB 3.32Å; I326-Q329 WeakPolarHBondContact O-CG 3.46Å; I326-Q329 PolarHBondContact O-N 3.26Å; I326-Q329 PolarHBondContact O-OE1 3.24Å; G327-Q329 PolarHBondContact O-N 3.39Å; G327-Q329 VanDerWaalsContact O-N 3.07Å; Q329-L333 WeakPolarHBondContact O-CG 3.45Å; Q329-L333 PolarHBondContact O-N 1.86Å
330	Q	98.6	Very high	98.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-71	-55.6	177.1	-60.4	169.3	103.9	0	0	110.7	Y148 I314 I325 G327 P328 W332 L333 D334	Y148-Q330 HydrophobicContact CD1-CB 3.76Å; Y148-Q330 HydrophobicContact CD1-CG 4.21Å; Y148-Q330 HydrophobicContact CD2-CB 3.71Å; Y148-Q330 HydrophobicContact CE1-CB 4.14Å; Y148-Q330 HydrophobicContact CE2-CB 4.06Å; Y148-Q330 HydrophobicContact CG-CB 3.53Å; Y148-Q330 HydrophobicContact CG-CG 4.29Å; I314-Q330 HydrophobicContact CD1-CB 4.06Å; I314-Q330 HydrophobicContact CD1-CG 4.21Å; I325-Q330 HydrophobicContact CG2-CG 3.8Å; G327-Q330 PolarHBondContact O-N 3.31Å; G327-Q330 PolarHBondContact O-NE2 2.9Å; G327-Q330 VanDerWaalsContact O-NE2 3.08Å; P328-Q330 PolarHBondContact O-N 3.22Å; Q330-W332 PolarHBondContact O-N 3.47Å; Q330-L333 WeakPolarHBondContact O-CB 3Å; Q330-L333 PolarHBondContact O-N 2.71Å; Q330-D334 PolarHBondContact O-N 2.81Å
331	H	98.5	Very high	98.1	Very high	78 Å²	78	33.2 Å²	33.2	36%	0.361	18%	0.176	S	C	.	.	H	α-helix	trans	-57.6	-36.5	175	-65.9	-86.2	0	0	0	112.7	T147 Y148 P328 L333 D334 L335	T147-H331 PolarHBondContact O-CE1 3.1Å; T147-H331 PolarHBondContact O-NE2 3.22Å; T147-H331 PolarHBondContact OG1-NE2 3.03Å; T147-H331 VanDerWaalsContact OG1-NE2 3.11Å; Y148-H331 AromaticContact CD2-CE1 3.86Å; Y148-H331 AromaticContact CD2-ND1 3.97Å; Y148-H331 AromaticContact CD2-NE2 3.92Å; P328-H331 PolarHBondContact O-N 3.44Å; H331-L333 VanDerWaalsContact C-N 3.32Å; H331-L333 PolarHBondContact O-N 3.01Å; H331-D334 PolarHBondContact O-N 3.17Å; H331-L335 WeakPolarHBondContact O-CG 3.48Å; H331-L335 PolarHBondContact O-N 2.66Å; H331-L335 VanDerWaalsContact O-N 3.16Å
332	W	98.6	Very high	98.1	Very high	33 Å²	33	38.3 Å²	38.3	13%	0.125	20%	0.199	C	C	.	.	H	α-helix	trans	-67.1	-30.3	176.7	-176.7	96.3	0	0	0	113	C263 P264 M269 T296 P328 Q330 L335 K336	C263-W332 HydrophobicContact CB-CB 4.12Å; C263-W332 VanDerWaalsContact CB-CD1 3.44Å; C263-W332 HydrophobicContact CB-CD2 3.88Å; C263-W332 HydrophobicContact CB-CG 3.55Å; C263-W332 WeakPolarHBondContact SG-CB 3.46Å; C263-W332 VanDerWaalsContact SG-CG 3.58Å; P264-W332 HydrophobicContact CG-CH2 3.49Å; P264-W332 VanDerWaalsContact CG-CH2 3.49Å; P264-W332 HydrophobicContact CG-CZ2 3.71Å; P264-W332 HydrophobicContact CG-CZ3 4.02Å; P264-W332 WeakPolarHBondContact O-CZ2 3.42Å; M269-W332 HydrophobicContact CB-CH2 4.43Å; M269-W332 HydrophobicContact CG-CH2 4.35Å; M269-W332 HydrophobicContact SD-CH2 3.81Å; M269-W332 HydrophobicContact SD-CZ2 4.42Å; T296-W332 HydrophobicContact CG2-CE3 3.61Å; T296-W332 HydrophobicContact CG2-CH2 4.45Å; T296-W332 HydrophobicContact CG2-CZ3 3.49Å; T296-W332 VanDerWaalsContact CG2-CZ3 3.49Å; P328-W332 PolarHBondContact O-N 3.25Å; P328-W332 VanDerWaalsContact O-N 3.08Å; Q330-W332 PolarHBondContact O-N 3.47Å; W332-L335 PolarHBondContact O-N 3.47Å; W332-K336 HydrophobicContact CD2-CG 3.9Å; W332-K336 HydrophobicContact CE3-CG 4.04Å; W332-K336 HydrophobicContact CH2-CB 4.44Å; W332-K336 HydrophobicContact CH2-CG 3.78Å; W332-K336 HydrophobicContact CZ2-CD 4.23Å; W332-K336 HydrophobicContact CZ2-CG 3.66Å; W332-K336 HydrophobicContact CZ3-CB 4.34Å; W332-K336 HydrophobicContact CZ3-CG 3.98Å; W332-K336 WeakPolarHBondContact O-CG 3.35Å; W332-K336 PolarHBondContact O-N 3.36Å; W332-K336 VanDerWaalsContact O-N 3.08Å
333	L	98.7	Very high	98.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-69.8	-39.1	172.9	-72.4	171.5	0	0	0	111.9	T296 M303 I314 I325 Q329 Q330 H331 L335 K336 Q337	T296-L333 HydrophobicContact CG2-CD2 4.19Å; T296-L333 HydrophobicContact CG2-CG 4.46Å; M303-L333 HydrophobicContact CE-CB 4.37Å; M303-L333 HydrophobicContact CE-CD2 3.66Å; I314-L333 HydrophobicContact CD1-CD1 4.4Å; I314-L333 HydrophobicContact CG1-CD1 4Å; I325-L333 HydrophobicContact CD1-CD1 3.66Å; I325-L333 HydrophobicContact CG1-CD1 4.28Å; I325-L333 HydrophobicContact CG2-CD1 3.86Å; Q329-L333 WeakPolarHBondContact O-CG 3.45Å; Q329-L333 PolarHBondContact O-N 1.86Å; Q330-L333 WeakPolarHBondContact O-CB 3Å; Q330-L333 PolarHBondContact O-N 2.71Å; H331-L333 VanDerWaalsContact C-N 3.32Å; H331-L333 PolarHBondContact O-N 3.01Å; L333-L335 VanDerWaalsContact C-N 3.3Å; L333-L335 PolarHBondContact O-N 3.43Å; L333-K336 CarbonylContact O-C 3.54Å; L333-K336 PolarHBondContact O-N 3.46Å; L333-K336 VanDerWaalsContact O-N 3.11Å; L333-Q337 PolarHBondContact O-N 3.43Å
334	D	98.5	Very high	98.1	Very high	58 Å²	58	40.2 Å²	40.2	31%	0.31	21%	0.205	S	C	.	.	H	α-helix	trans	-56.3	-45.9	172.1	-69.3	23	0	0	0	110.4	Y148 S310 Q330 H331 K336 Q337	Y148-D334 WeakPolarHBondContact CE2-OD1 3.49Å; Y148-D334 WeakPolarHBondContact CE2-OD2 3.42Å; Y148-D334 PolarHBondContact OH-OD1 3.26Å; Y148-D334 PolarHBondContact OH-OD2 2.98Å; S310-D334 WeakPolarHBondContact CB-OD1 3.46Å; S310-D334 PolarHBondContact OG-OD1 2.82Å; Q330-D334 PolarHBondContact O-N 2.81Å; H331-D334 PolarHBondContact O-N 3.17Å; D334-K336 VanDerWaalsContact C-N 3.3Å; D334-K336 PolarHBondContact O-N 2.93Å; D334-Q337 PolarHBondContact O-N 3.09Å
335	L	98.4	Very high	98.1	Very high	124 Å²	124	44.7 Å²	44.7	65%	0.649	23%	0.226	S	C	*	.	H	α-helix	trans	-64.4	-28	176.6	-66.2	174.9	0	0	0	114.1	H331 W332 L333	H331-L335 WeakPolarHBondContact O-CG 3.48Å; H331-L335 PolarHBondContact O-N 2.66Å; H331-L335 VanDerWaalsContact O-N 3.16Å; W332-L335 PolarHBondContact O-N 3.47Å; L333-L335 VanDerWaalsContact C-N 3.3Å; L333-L335 PolarHBondContact O-N 3.43Å
336	K	98.5	Very high	98	Very high	28 Å²	28	48.8 Å²	48.8	12%	0.122	25%	0.247	C	C	.	.	H	α-helix	trans	-99.2	-10.7	-178.7	-63.1	-60.7	176.1	179.5	0	114.3	D266 M269 W332 L333 D334 I339 C340	D266-K336 WeakPolarHBondContact OD1-CE 3.48Å; D266-K336 IonicContact OD1-NZ 2.74Å; D266-K336 PolarHBondContact OD1-NZ 3.42Å; D266-K336 IonicContact OD2-NZ 2.73Å; D266-K336 PolarHBondContact OD2-NZ 3.05Å; M269-K336 HydrophobicContact CE-CD 4.48Å; M269-K336 HydrophobicContact SD-CB 4.39Å; M269-K336 HydrophobicContact SD-CD 4.42Å; M269-K336 HydrophobicContact SD-CG 4.36Å; W332-K336 HydrophobicContact CD2-CG 3.9Å; W332-K336 HydrophobicContact CE3-CG 4.04Å; W332-K336 HydrophobicContact CH2-CB 4.44Å; W332-K336 HydrophobicContact CH2-CG 3.78Å; W332-K336 HydrophobicContact CZ2-CD 4.23Å; W332-K336 HydrophobicContact CZ2-CG 3.66Å; W332-K336 HydrophobicContact CZ3-CB 4.34Å; W332-K336 HydrophobicContact CZ3-CG 3.98Å; W332-K336 WeakPolarHBondContact O-CG 3.35Å; W332-K336 PolarHBondContact O-N 3.36Å; W332-K336 VanDerWaalsContact O-N 3.08Å; L333-K336 CarbonylContact O-C 3.54Å; L333-K336 PolarHBondContact O-N 3.46Å; L333-K336 VanDerWaalsContact O-N 3.11Å; D334-K336 VanDerWaalsContact C-N 3.3Å; D334-K336 PolarHBondContact O-N 2.93Å; K336-I339 HydrophobicContact CD-CD1 4.01Å; K336-I339 PolarHBondContact O-N 3.07Å; K336-C340 WeakPolarHBondContact O-CB 3.43Å; K336-C340 PolarHBondContact O-N 3.26Å; K336-C340 PolarHBondContact O-SG 3.43Å
337	Q	98.6	Very high	98	Very high	36 Å²	36	50.8 Å²	50.8	17%	0.168	25%	0.253	C	S	.	.	H	α-helix	trans	-49.6	-54.9	173.9	-176.8	-174.9	-63.5	0	0	113.2	M303 S310 L333 D334 I339 C340 W341	M303-Q337 HydrophobicContact SD-CB 3.75Å; M303-Q337 HydrophobicContact SD-CG 4.05Å; S310-Q337 PolarHBondContact OG-OE1 3.4Å; L333-Q337 PolarHBondContact O-N 3.43Å; D334-Q337 PolarHBondContact O-N 3.09Å; Q337-I339 VanDerWaalsContact C-N 3.35Å; Q337-I339 PolarHBondContact O-N 3.39Å; Q337-C340 PolarHBondContact O-N 3.37Å; Q337-W341 HydrophobicContact CG-CD2 4.04Å; Q337-W341 HydrophobicContact CG-CG 4.41Å; Q337-W341 HydrophobicContact CG-CZ2 3.9Å; Q337-W341 VanDerWaalsContact NE2-CH2 3.32Å; Q337-W341 WeakPolarHBondContact O-CB 3.43Å; Q337-W341 PolarHBondContact O-N 3.33Å
338	P	98.4	Very high	98	Very high	78 Å²	78	53.7 Å²	53.7	51%	0.506	26%	0.262	S	S	.	.	H	α-helix	trans	-62.9	-39.3	-177.9	23.8	-34	0	0	0	112.8	W341 Q342	P338-W341 PolarHBondContact O-N 2.98Å; P338-Q342 WeakPolarHBondContact O-CB 3.45Å; P338-Q342 PolarHBondContact O-N 2.92Å
339	I	98	Very high	97.9	Very high	50 Å²	50	51.2 Å²	51.2	26%	0.256	25%	0.251	S	S	.	.	H	α-helix	trans	-64.9	-45.7	177.7	-57	-179	0	0	0	110.3	K336 Q337 W341 Q342 F343	K336-I339 HydrophobicContact CD-CD1 4.01Å; K336-I339 PolarHBondContact O-N 3.07Å; Q337-I339 VanDerWaalsContact C-N 3.35Å; Q337-I339 PolarHBondContact O-N 3.39Å; I339-W341 PolarHBondContact O-N 2.64Å; I339-Q342 PolarHBondContact O-N 3.38Å; I339-F343 HydrophobicContact CG2-CD1 4.39Å; I339-F343 HydrophobicContact CG2-CD2 4.1Å; I339-F343 HydrophobicContact CG2-CE1 3.97Å; I339-F343 HydrophobicContact CG2-CE2 3.66Å; I339-F343 HydrophobicContact CG2-CG 4.46Å; I339-F343 HydrophobicContact CG2-CZ 3.59Å; I339-F343 WeakPolarHBondContact O-CB 3.29Å; I339-F343 VanDerWaalsContact O-CG 3.3Å; I339-F343 WeakPolarHBondContact O-CG 3.42Å; I339-F343 PolarHBondContact O-N 2.87Å
340	C	98.4	Very high	97.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62	-44.4	176.8	-66.7	0	0	0	0	111.2	M303 K304 K336 Q337 F343 G344	M303-C340 HydrophobicContact CB-CB 3.74Å; M303-C340 HydrophobicContact CE-CB 4.27Å; K304-C340 VanDerWaalsContact CA-O 3.32Å; K304-C340 WeakPolarHBondContact CA-O 3.42Å; K304-C340 HydrophobicContact CB-CB 4.27Å; K336-C340 WeakPolarHBondContact O-CB 3.43Å; K336-C340 PolarHBondContact O-N 3.26Å; K336-C340 PolarHBondContact O-SG 3.43Å; Q337-C340 PolarHBondContact O-N 3.37Å; C340-F343 PolarHBondContact O-N 2.92Å; C340-G344 PolarHBondContact O-N 3.46Å
341	W	98.5	Very high	97.2	Very high	64 Å²	64	61.1 Å²	61.1	24%	0.242	30%	0.296	C	S	.	.	H	α-helix	trans	-59.9	-48.3	176.8	-73.8	8.3	0	0	0	111.9	M303 K307 L308 T309 Q337 P338 I339 G344 E345	M303-W341 VanDerWaalsContact O-CD1 3.23Å; K307-W341 HydrophobicContact CG-CD2 3.83Å; K307-W341 HydrophobicContact CG-CE3 4.42Å; K307-W341 HydrophobicContact CG-CG 3.96Å; K307-W341 HydrophobicContact CG-CZ2 4.27Å; L308-W341 PolarHBondContact O-NE1 2.92Å; T309-W341 HydrophobicContact CG2-CH2 4.09Å; T309-W341 HydrophobicContact CG2-CZ2 3.83Å; Q337-W341 HydrophobicContact CG-CD2 4.04Å; Q337-W341 HydrophobicContact CG-CG 4.41Å; Q337-W341 HydrophobicContact CG-CZ2 3.9Å; Q337-W341 VanDerWaalsContact NE2-CH2 3.32Å; Q337-W341 WeakPolarHBondContact O-CB 3.43Å; Q337-W341 PolarHBondContact O-N 3.33Å; P338-W341 PolarHBondContact O-N 2.98Å; I339-W341 PolarHBondContact O-N 2.64Å; W341-G344 CarbonylContact O-C 3.55Å; W341-G344 WeakPolarHBondContact O-CA 3.49Å; W341-G344 PolarHBondContact O-N 3.41Å; W341-G344 VanDerWaalsContact O-N 3.07Å; W341-E345 WeakPolarHBondContact O-CG 3.36Å; W341-E345 PolarHBondContact O-N 3.01Å
342	Q	98.1	Very high	96.8	Very high	114 Å²	114	66 Å²	66	53%	0.533	31%	0.311	S	S	.	.	H	α-helix	trans	-60	-47.7	177.3	-172	-174.7	24.1	0	0	111.6	P338 I339 G344 E345 I346	P338-Q342 WeakPolarHBondContact O-CB 3.45Å; P338-Q342 PolarHBondContact O-N 2.92Å; I339-Q342 PolarHBondContact O-N 3.38Å; Q342-G344 PolarHBondContact O-N 2.76Å; Q342-E345 PolarHBondContact O-N 3.22Å; Q342-E345 VanDerWaalsContact O-N 3.17Å; Q342-I346 HydrophobicContact CG-CD1 4.2Å; Q342-I346 WeakPolarHBondContact O-CG1 3.46Å; Q342-I346 PolarHBondContact O-N 2.86Å
343	F	97.7	Very high	96.1	Very high	66 Å²	66	71 Å²	71	29%	0.289	34%	0.335	S	S	.	.	H	α-helix	trans	-62.2	-30.6	175.1	-69.5	-2.1	0	0	0	112.1	K304 I339 C340 Y347	K304-F343 HydrophobicContact CD-CB 4.03Å; K304-F343 WeakPolarHBondContact CE-O 3.49Å; K304-F343 HydrophobicContact CG-CB 4.47Å; I339-F343 HydrophobicContact CG2-CD1 4.39Å; I339-F343 HydrophobicContact CG2-CD2 4.1Å; I339-F343 HydrophobicContact CG2-CE1 3.97Å; I339-F343 HydrophobicContact CG2-CE2 3.66Å; I339-F343 HydrophobicContact CG2-CG 4.46Å; I339-F343 HydrophobicContact CG2-CZ 3.59Å; I339-F343 WeakPolarHBondContact O-CB 3.29Å; I339-F343 VanDerWaalsContact O-CG 3.3Å; I339-F343 WeakPolarHBondContact O-CG 3.42Å; I339-F343 PolarHBondContact O-N 2.87Å; C340-F343 PolarHBondContact O-N 2.92Å; F343-Y347 VanDerWaalsContact O-CB 3.23Å; F343-Y347 WeakPolarHBondContact O-CB 3.39Å; F343-Y347 PolarHBondContact O-N 2.73Å
344	G	98.1	Very high	95.3	Very high	0 Å²	0	75.2 Å²	75.2	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-69.3	-39.7	174.4	0	0	0	0	0	113	K304 C340 W341 Q342 Y347 R348	K304-G344 VanDerWaalsContact O-CA 3.24Å; K304-G344 WeakPolarHBondContact O-CA 3.34Å; C340-G344 PolarHBondContact O-N 3.46Å; W341-G344 CarbonylContact O-C 3.55Å; W341-G344 WeakPolarHBondContact O-CA 3.49Å; W341-G344 PolarHBondContact O-N 3.41Å; W341-G344 VanDerWaalsContact O-N 3.07Å; Q342-G344 PolarHBondContact O-N 2.76Å; G344-Y347 PolarHBondContact O-N 2.89Å; G344-R348 VanDerWaalsContact C-CZ 3.45Å; G344-R348 WeakPolarHBondContact O-CB 3.37Å; G344-R348 WeakPolarHBondContact O-CG 3.42Å; G344-R348 VanDerWaalsContact O-CZ 3.26Å; G344-R348 PolarHBondContact O-N 3.02Å; G344-R348 PolarHBondContact O-NE 3.48Å; G344-R348 PolarHBondContact O-NH2 3.08Å
345	E	97.4	Very high	94.2	Very high	95 Å²	95	77 Å²	77	44%	0.444	37%	0.371	S	S	.	.	H	α-helix	trans	-70.8	-42.1	177.8	-70.1	174.5	170	0	0	111.2	K307 W341 Q342 Y347 R348 G349	K307-E345 IonicContact NZ-OE1 2.72Å; K307-E345 PolarHBondContact NZ-OE1 3.29Å; W341-E345 WeakPolarHBondContact O-CG 3.36Å; W341-E345 PolarHBondContact O-N 3.01Å; Q342-E345 PolarHBondContact O-N 3.22Å; Q342-E345 VanDerWaalsContact O-N 3.17Å; E345-Y347 VanDerWaalsContact C-N 3.34Å; E345-Y347 PolarHBondContact O-N 3.29Å; E345-R348 VanDerWaalsContact CG-NH2 3.35Å; E345-R348 PolarHBondContact O-N 3.07Å; E345-G349 PolarHBondContact O-N 2.85Å
346	I	97.2	Very high	92.9	Very high	86 Å²	86	74.9 Å²	74.9	44%	0.441	36%	0.363	S	S	.	.	H	α-helix	trans	-59.1	-45.1	170.7	-65.5	165.3	0	0	0	110.8	Q342 G349 K350	Q342-I346 HydrophobicContact CG-CD1 4.2Å; Q342-I346 WeakPolarHBondContact O-CG1 3.46Å; Q342-I346 PolarHBondContact O-N 2.86Å; I346-G349 PolarHBondContact O-N 2.64Å; I346-K350 HydrophobicContact CG2-CD 4.48Å; I346-K350 WeakPolarHBondContact O-CG 3.4Å; I346-K350 PolarHBondContact O-N 3.35Å
347	Y	96.6	Very high	91.1	Very high	65 Å²	65	75.8 Å²	75.8	26%	0.255	37%	0.373	S	S	.	.	H	α-helix	trans	-62.5	-50.5	178.4	-179	-92	0	0	0	112	E277 H305 F343 G344 E345 G349 K350 Q351	E277-Y347 HydrophobicContact CB-CE2 4.38Å; E277-Y347 HydrophobicContact CG-CE2 4.06Å; E277-Y347 WeakPolarHBondContact OE2-CD2 3.48Å; E277-Y347 WeakPolarHBondContact OE2-CE2 3.39Å; H305-Y347 AromaticContact CE1-CD1 3.08Å; H305-Y347 WeakPolarHBondContact CE1-CD1 3.39Å; H305-Y347 AromaticContact CE1-CD2 3.39Å; H305-Y347 WeakPolarHBondContact CE1-CD2 3.19Å; H305-Y347 AromaticContact CE1-CE1 2.81Å; H305-Y347 WeakPolarHBondContact CE1-CE1 3.28Å; H305-Y347 AromaticContact CE1-CE2 3.14Å; H305-Y347 WeakPolarHBondContact CE1-CE2 3.36Å; H305-Y347 AromaticContact CE1-CG 3.36Å; H305-Y347 AromaticContact CE1-CZ 2.84Å; H305-Y347 PolarHBondContact CE1-OH 3.49Å; H305-Y347 AromaticContact ND1-CD1 3.79Å; H305-Y347 AromaticContact ND1-CE1 3.69Å; F343-Y347 VanDerWaalsContact O-CB 3.23Å; F343-Y347 WeakPolarHBondContact O-CB 3.39Å; F343-Y347 PolarHBondContact O-N 2.73Å; G344-Y347 PolarHBondContact O-N 2.89Å; E345-Y347 VanDerWaalsContact C-N 3.34Å; E345-Y347 PolarHBondContact O-N 3.29Å; Y347-G349 VanDerWaalsContact C-N 3.28Å; Y347-G349 PolarHBondContact O-N 2.63Å; Y347-K350 PolarHBondContact O-N 3.34Å; Y347-Q351 HydrophobicContact CD1-CG 4.16Å; Y347-Q351 HydrophobicContact CE1-CG 3.85Å; Y347-Q351 WeakPolarHBondContact O-CG 3.48Å; Y347-Q351 PolarHBondContact O-N 2.71Å
348	R	95.8	Very high	89.3	Confident	69 Å²	69	79.9 Å²	79.9	26%	0.26	39%	0.392	S	S	.	.	H	α-helix	trans	-63.2	-32.9	177.5	-72	-178.7	-66.7	-90.4	-6.7	112.4	K304 H305 G344 E345 R352	K304-R348 PolarHBondContact O-NH1 2.88Å; H305-R348 PolarHBondContact O-NH1 2.94Å; G344-R348 VanDerWaalsContact C-CZ 3.45Å; G344-R348 WeakPolarHBondContact O-CB 3.37Å; G344-R348 WeakPolarHBondContact O-CG 3.42Å; G344-R348 VanDerWaalsContact O-CZ 3.26Å; G344-R348 PolarHBondContact O-N 3.02Å; G344-R348 PolarHBondContact O-NE 3.48Å; G344-R348 PolarHBondContact O-NH2 3.08Å; E345-R348 VanDerWaalsContact CG-NH2 3.35Å; E345-R348 PolarHBondContact O-N 3.07Å; R348-R352 WeakPolarHBondContact O-CG 3.4Å; R348-R352 PolarHBondContact O-N 2.67Å; R348-R352 VanDerWaalsContact O-N 3.13Å
349	G	95.4	Very high	87.2	Confident	29 Å²	29	79.1 Å²	79.1	30%	0.299	39%	0.388	S	S	.	.	H	α-helix	trans	-62.1	-50.5	172.4	0	0	0	0	0	112.6	E345 I346 Y347 Q351 R352 Q353	E345-G349 PolarHBondContact O-N 2.85Å; I346-G349 PolarHBondContact O-N 2.64Å; Y347-G349 VanDerWaalsContact C-N 3.28Å; Y347-G349 PolarHBondContact O-N 2.63Å; G349-Q351 PolarHBondContact O-N 3.01Å; G349-R352 PolarHBondContact O-N 3.06Å; G349-Q353 WeakPolarHBondContact O-CG 3.49Å; G349-Q353 PolarHBondContact O-N 3.08Å; G349-Q353 VanDerWaalsContact O-N 3.09Å
350	K	93.1	Very high	85.2	Confident	126 Å²	126	80 Å²	80	55%	0.548	40%	0.396	S	S	.	.	H	α-helix	trans	-61.4	-42.5	177.1	-70.7	-178.9	178	-171.4	0	112.7	I346 Y347 R352 Q353 L354	I346-K350 HydrophobicContact CG2-CD 4.48Å; I346-K350 WeakPolarHBondContact O-CG 3.4Å; I346-K350 PolarHBondContact O-N 3.35Å; Y347-K350 PolarHBondContact O-N 3.34Å; K350-R352 VanDerWaalsContact C-N 3.34Å; K350-R352 PolarHBondContact O-N 2.87Å; K350-Q353 PolarHBondContact O-N 3.17Å; K350-L354 WeakPolarHBondContact O-CG 3.28Å; K350-L354 PolarHBondContact O-N 3.03Å
351	Q	88.6	Confident	83	Confident	85 Å²	85	85.6 Å²	85.6	40%	0.397	42%	0.422	S	S	.	.	H	α-helix	trans	-62	-40.6	177.4	-68.2	-62.1	-24.2	0	0	112	Y347 G349 L354 T355	Y347-Q351 HydrophobicContact CD1-CG 4.16Å; Y347-Q351 HydrophobicContact CE1-CG 3.85Å; Y347-Q351 WeakPolarHBondContact O-CG 3.48Å; Y347-Q351 PolarHBondContact O-N 2.71Å; G349-Q351 PolarHBondContact O-N 3.01Å; Q351-L354 PolarHBondContact O-N 3.17Å; Q351-T355 PolarHBondContact O-N 2.88Å; Q351-T355 VanDerWaalsContact O-N 3.11Å; Q351-T355 PolarHBondContact O-OG1 2.71Å
352	R	89.5	Confident	80.7	Confident	180 Å²	180	86.5 Å²	86.5	68%	0.679	44%	0.438	S	S	*	.	H	α-helix	trans	-62	-45.1	173.9	-73.3	171.7	-179.3	-177.9	-1.5	112.1	R348 G349 K350 L354 T355 T356	R348-R352 WeakPolarHBondContact O-CG 3.4Å; R348-R352 PolarHBondContact O-N 2.67Å; R348-R352 VanDerWaalsContact O-N 3.13Å; G349-R352 PolarHBondContact O-N 3.06Å; K350-R352 VanDerWaalsContact C-N 3.34Å; K350-R352 PolarHBondContact O-N 2.87Å; R352-L354 VanDerWaalsContact C-N 3.33Å; R352-L354 PolarHBondContact O-N 3.23Å; R352-T355 WeakPolarHBondContact CA-OG1 3.3Å; R352-T355 PolarHBondContact O-N 3.11Å; R352-T355 PolarHBondContact O-OG1 3.38Å; R352-T356 PolarHBondContact O-N 3.28Å; R352-T356 PolarHBondContact O-OG1 3.21Å; R352-T356 VanDerWaalsContact O-OG1 3.11Å
353	Q	84.5	Confident	78.5	Confident	137 Å²	137	84 Å²	84	64%	0.64	43%	0.433	S	S	*	.	H	α-helix	trans	-58.3	-44.2	178.1	-72.4	171	-24.2	0	0	111.9	G349 K350 T355 T356 S357	G349-Q353 WeakPolarHBondContact O-CG 3.49Å; G349-Q353 PolarHBondContact O-N 3.08Å; G349-Q353 VanDerWaalsContact O-N 3.09Å; K350-Q353 PolarHBondContact O-N 3.17Å; Q353-T355 PolarHBondContact O-N 3Å; Q353-T356 PolarHBondContact O-N 3.08Å; Q353-T356 VanDerWaalsContact O-N 3.17Å; Q353-S357 PolarHBondContact O-N 2.85Å; Q353-S357 PolarHBondContact O-OG 2.94Å
354	L	81.4	Confident	76.3	Confident	90 Å²	90	88.3 Å²	88.3	47%	0.471	46%	0.456	S	S	.	.	H	α-helix	trans	-62.7	-38.6	175.8	-69	166.6	0	0	0	112.9	K350 Q351 R352 T356 S357 H358	K350-L354 WeakPolarHBondContact O-CG 3.28Å; K350-L354 PolarHBondContact O-N 3.03Å; Q351-L354 PolarHBondContact O-N 3.17Å; R352-L354 VanDerWaalsContact C-N 3.33Å; R352-L354 PolarHBondContact O-N 3.23Å; L354-T356 VanDerWaalsContact C-N 3.33Å; L354-S357 PolarHBondContact O-OG 2.96Å; L354-S357 VanDerWaalsContact O-OG 3.11Å; L354-H358 PolarHBondContact O-CD2 2.85Å; L354-H358 PolarHBondContact O-N 3.13Å
355	T	75	Confident	73.7	Confident	95 Å²	95	92.9 Å²	92.9	58%	0.583	49%	0.488	S	S	*	.	H	α-helix	trans	-68.6	-32	173.9	52.1	0	0	0	0	112.8	Q351 R352 Q353 S359	Q351-T355 PolarHBondContact O-N 2.88Å; Q351-T355 VanDerWaalsContact O-N 3.11Å; Q351-T355 PolarHBondContact O-OG1 2.71Å; R352-T355 WeakPolarHBondContact CA-OG1 3.3Å; R352-T355 PolarHBondContact O-N 3.11Å; R352-T355 PolarHBondContact O-OG1 3.38Å; Q353-T355 PolarHBondContact O-N 3Å; T355-S359 PolarHBondContact O-N 3.5Å
356	T	71.1	Confident	71.2	Confident	79 Å²	79	92 Å²	92	49%	0.485	49%	0.492	S	S	.	.	H	α-helix	trans	-77	-41.1	178.9	-55.4	0	0	0	0	112.2	R352 Q353 L354 H358 S359 V360	R352-T356 PolarHBondContact O-N 3.28Å; R352-T356 PolarHBondContact O-OG1 3.21Å; R352-T356 VanDerWaalsContact O-OG1 3.11Å; Q353-T356 PolarHBondContact O-N 3.08Å; Q353-T356 VanDerWaalsContact O-N 3.17Å; L354-T356 VanDerWaalsContact C-N 3.33Å; T356-H358 PolarHBondContact O-N 3.15Å; T356-S359 WeakPolarHBondContact CA-OG 3.3Å; T356-S359 PolarHBondContact O-N 3.44Å; T356-S359 VanDerWaalsContact O-N 3.17Å; T356-S359 PolarHBondContact O-OG 3.02Å; T356-V360 PolarHBondContact O-N 3.18Å; T356-V360 VanDerWaalsContact O-N 3.12Å
357	S	62.1	Low	68.8	Low	47 Å²	47	94 Å²	94	33%	0.329	50%	0.504	S	S	.	.	H	α-helix	trans	-58.9	-47.2	178.4	54.5	0	0	0	0	111.6	Q353 L354 S359 V360 E361	Q353-S357 PolarHBondContact O-N 2.85Å; Q353-S357 PolarHBondContact O-OG 2.94Å; L354-S357 PolarHBondContact O-OG 2.96Å; L354-S357 VanDerWaalsContact O-OG 3.11Å; S357-S359 VanDerWaalsContact C-N 3.3Å; S357-S359 PolarHBondContact O-N 3.3Å; S357-V360 PolarHBondContact O-N 3.38Å; S357-V360 VanDerWaalsContact O-N 3.12Å; S357-E361 WeakPolarHBondContact O-CG 3.31Å; S357-E361 PolarHBondContact O-N 3.07Å
358	H	60	Low	66.3	Low	123 Å²	123	99.9 Å²	99.9	57%	0.569	53%	0.533	S	S	*	.	H	α-helix	trans	-64.2	-31.7	177.7	-69.4	-35	0	0	0	113.5	L354 T356 E361 S362	L354-H358 PolarHBondContact O-CD2 2.85Å; L354-H358 PolarHBondContact O-N 3.13Å; T356-H358 PolarHBondContact O-N 3.15Å; H358-E361 IonicContact CE1-OE2 3.87Å; H358-E361 IonicContact CG-OE2 2.65Å; H358-E361 IonicContact ND1-OE2 3.78Å; H358-E361 PolarHBondContact ND1-OE2 2.88Å; H358-S362 WeakPolarHBondContact O-CB 3.42Å; H358-S362 PolarHBondContact O-N 3.31Å; H358-S362 VanDerWaalsContact O-N 3.08Å; H358-S362 PolarHBondContact O-OG 3.11Å
359	S	55.6	Low	63.8	Low	61 Å²	61	104.2 Å²	104.2	43%	0.427	56%	0.562	S	S	.	*	H	α-helix	trans	-66.4	-39.6	172.8	62.2	0	0	0	0	112.6	T355 T356 S357 S362 S363	T355-S359 PolarHBondContact O-N 3.5Å; T356-S359 WeakPolarHBondContact CA-OG 3.3Å; T356-S359 PolarHBondContact O-N 3.44Å; T356-S359 VanDerWaalsContact O-N 3.17Å; T356-S359 PolarHBondContact O-OG 3.02Å; S357-S359 VanDerWaalsContact C-N 3.3Å; S357-S359 PolarHBondContact O-N 3.3Å; S359-S362 PolarHBondContact O-N 3.36Å; S359-S362 PolarHBondContact O-OG 2.83Å; S359-S363 PolarHBondContact O-N 3.28Å; S359-S363 PolarHBondContact O-OG 3.34Å
360	V	56.2	Low	61.1	Low	69 Å²	69	110.3 Å²	110.3	42%	0.418	59%	0.587	S	S	.	*	H	α-helix	trans	-73.1	-40.7	179.3	177.6	0	0	0	0	111.6	T356 S357 S362 S363 M364	T356-V360 PolarHBondContact O-N 3.18Å; T356-V360 VanDerWaalsContact O-N 3.12Å; S357-V360 PolarHBondContact O-N 3.38Å; S357-V360 VanDerWaalsContact O-N 3.12Å; V360-S362 VanDerWaalsContact C-N 3.26Å; V360-S362 PolarHBondContact O-N 3.41Å; V360-S363 PolarHBondContact O-N 3.45Å; V360-S363 VanDerWaalsContact O-N 3.13Å; V360-S363 PolarHBondContact O-OG 3.45Å; V360-S363 VanDerWaalsContact O-OG 3.12Å; V360-M364 HydrophobicContact CG1-CG 4.18Å; V360-M364 HydrophobicContact CG1-SD 4.04Å; V360-M364 WeakPolarHBondContact O-CG 3.4Å; V360-M364 PolarHBondContact O-N 3.35Å
361	E	51.3	Low	58.4	Low	118 Å²	118	112.1 Å²	112.1	55%	0.551	60%	0.603	S	S	*	*	H	α-helix	trans	-60.2	-37.7	173.5	-69.7	168.8	154.3	0	0	111.5	S357 H358 S363 S365	S357-E361 WeakPolarHBondContact O-CG 3.31Å; S357-E361 PolarHBondContact O-N 3.07Å; H358-E361 IonicContact CE1-OE2 3.87Å; H358-E361 IonicContact CG-OE2 2.65Å; H358-E361 IonicContact ND1-OE2 3.78Å; H358-E361 PolarHBondContact ND1-OE2 2.88Å; E361-S363 VanDerWaalsContact C-N 3.32Å; E361-S363 PolarHBondContact O-N 3.07Å; E361-S365 PolarHBondContact O-OG 2.91Å
362	S	51	Low	56	Low	82 Å²	82	114.8 Å²	114.8	57%	0.573	62%	0.624	S	S	*	*	H	α-helix	trans	-73.9	-16.2	176.2	70.8	0	0	0	0	115.2	H358 S359 V360	H358-S362 WeakPolarHBondContact O-CB 3.42Å; H358-S362 PolarHBondContact O-N 3.31Å; H358-S362 VanDerWaalsContact O-N 3.08Å; H358-S362 PolarHBondContact O-OG 3.11Å; S359-S362 PolarHBondContact O-N 3.36Å; S359-S362 PolarHBondContact O-OG 2.83Å; V360-S362 VanDerWaalsContact C-N 3.26Å; V360-S362 PolarHBondContact O-N 3.41Å
363	S	50.7	Low	53.4	Low	62 Å²	62	111.4 Å²	111.4	43%	0.434	64%	0.635	S	S	.	*	H	α-helix	trans	-105.4	-11.3	177	64.9	0	0	0	0	114	S359 V360 E361 S366	S359-S363 PolarHBondContact O-N 3.28Å; S359-S363 PolarHBondContact O-OG 3.34Å; V360-S363 PolarHBondContact O-N 3.45Å; V360-S363 VanDerWaalsContact O-N 3.13Å; V360-S363 PolarHBondContact O-OG 3.45Å; V360-S363 VanDerWaalsContact O-OG 3.12Å; E361-S363 VanDerWaalsContact C-N 3.32Å; E361-S363 PolarHBondContact O-N 3.07Å; S363-S366 PolarHBondContact O-OG 3.01Å
364	M	51	Low	51.1	Low	157 Å²	157	113.7 Å²	113.7	77%	0.773	65%	0.645	S	S	*	*	S	Bend	trans	-99.5	10.7	173.9	-68.4	-162.4	72	0	0	113.1	V360	V360-M364 HydrophobicContact CG1-CG 4.18Å; V360-M364 HydrophobicContact CG1-SD 4.04Å; V360-M364 WeakPolarHBondContact O-CG 3.4Å; V360-M364 PolarHBondContact O-N 3.35Å
365	S	44.8	Very low	48.9	Very low	96 Å²	96	115.1 Å²	115.1	67%	0.671	66%	0.658	S	S	*	*	S	Bend	trans	-119.8	13	178.4	48.7	0	0	0	0	113.5	E361	E361-S365 PolarHBondContact O-OG 2.91Å
366	S	44.8	Very low	47	Very low	75 Å²	75	116.4 Å²	116.4	52%	0.524	67%	0.665	S	S	.	*	S	Bend	trans	-114.5	-10.3	-176	48	0	0	0	0	115.6	S363	S363-S366 PolarHBondContact O-OG 3.01Å
367	D	47	Very low	45.2	Very low	129 Å²	129	122.3 Å²	122.3	69%	0.69	68%	0.684	S	S	*	*	S	Bend	trans	-112.7	5.5	-155.4	-69.1	18.6	0	0	0	114.8
368	E	43.9	Very low	43.9	Very low	188 Å²	188	127.7 Å²	127.7	88%	0.879	71%	0.708	S	S	*	*	S	Bend	trans	-100	-13.3	-178.5	-73	-76.8	153	0	0	114.4	L370	E368-L370 PolarHBondContact O-N 3.3Å
369	D	42	Very low	42.7	Very low	161 Å²	161	131 Å²	131	86%	0.861	72%	0.724	S	S	*	*	S	Bend	trans	-92.5	31.6	-171.3	-86	-40.5	0	0	0	114.9
370	L	40.2	Very low	41.5	Very low	157 Å²	157	134.2 Å²	134.2	82%	0.822	74%	0.742	S	S	*	*			trans	-141.7	64	-177.6	-74.9	177.8	0	0	0	114.7	E368	E368-L370 PolarHBondContact O-N 3.3Å
371	N	36	Very low	40.2	Very low	164 Å²	164	136.7 Å²	136.7	88%	0.877	76%	0.757	S	S	*	*	S	Bend	trans	-163.8	27.1	160.3	-108	-31	0	0	0	119.3
372	V	37.6	Very low	39.4	Very low	141 Å²	141	136.8 Å²	136.8	86%	0.855	77%	0.765	S	S	*	*			trans	-133.3	69.6	171.2	-164.5	0	0	0	0	112.1
373	A	35.6	Very low	38.6	Very low	108 Å²	108	142.6 Å²	142.6	89%	0.893	78%	0.78	S	S	*	*	S	Bend	trans	-123.6	8.8	177.9	0	0	0	0	0	114.2
374	E	35.4	Very low	37.7	Very low	186 Å²	186	148.2 Å²	148.2	87%	0.869	80%	0.797	S	S	*	*	S	Bend	trans	-142.5	57.1	-177.5	-163.1	160.4	-136.5	0	0	112.8
375	T	35.2	Very low	36.9	Very low	119 Å²	119	147 Å²	147	73%	0.73	79%	0.793	S	S	*	*	S	Bend	trans	-153.3	143	164.8	-21.4	0	0	0	0	112.1
376	V	36	Very low	36.5	Very low	123 Å²	123	149.7 Å²	149.7	75%	0.745	80%	0.8	S	S	*	*			trans	56.1	75.5	171.9	-159.8	0	0	0	0	116.2
377	K	32.1	Very low	35.9	Very low	203 Å²	203	153 Å²	153	88%	0.883	81%	0.812	S	S	*	*			trans	-67.5	122.8	135.3	-70.9	175	-179.8	170.7	0	107.6
378	L	34.9	Very low	35	Very low	159 Å²	159	154 Å²	154	83%	0.832	82%	0.816	S	S	*	*			trans	168.6	167.1	145.1	-94.4	160.9	0	0	0	111.1
379	Q	36.5	Very low	34.4	Very low	194 Å²	194	150 Å²	150	91%	0.907	80%	0.804	S	S	*	*			trans	69	73.8	173.5	-57	-168.6	2.3	0	0	116.9
380	T	28.9	Very low	34.1	Very low	128 Å²	128	150.4 Å²	150.4	79%	0.785	80%	0.801	S	S	*	*			trans	-76.8	162.3	164.5	-27.6	0	0	0	0	112.3
381	T	30	Very low	33.6	Very low	120 Å²	120	154.3 Å²	154.3	74%	0.736	81%	0.805	S	S	*	*			trans	91.5	147.2	158.3	76.8	0	0	0	0	120.2
382	V	33.8	Very low	33.4	Very low	120 Å²	120	151.1 Å²	151.1	73%	0.727	80%	0.795	S	S	*	*			trans	71	128.2	166.6	-166.7	0	0	0	0	114.6
383	K	35.3	Very low	33.2	Very low	205 Å²	205	149.3 Å²	149.3	89%	0.891	79%	0.789	S	S	*	*			cis	-138.6	-175.6	13.1	-135.3	149.6	-159.1	172.5	0	112.3
384	K	30.8	Very low	33.1	Very low	180 Å²	180	152 Å²	152	78%	0.783	78%	0.783	S	S	*	*			trans	-134.4	169.8	-172.9	-162.6	-175.2	-179.9	-177.5	0	109.9
385	N	33.5	Very low	32.9	Very low	131 Å²	131	150.4 Å²	150.4	70%	0.701	78%	0.78	S	S	*	*			trans	82.5	153	175.9	-43.6	-3.5	0	0	0	113.2
386	D	37	Very low	32.7	Very low	152 Å²	152	148.1 Å²	148.1	81%	0.813	78%	0.781	S	S	*	*			cis	-133.1	-175.5	15.7	-108	-54.6	0	0	0	115.2
387	L	31.7	Very low	32.4	Very low	146 Å²	146	150.5 Å²	150.5	76%	0.764	79%	0.788	S	S	*	*			trans	-121.9	171.9	-165.7	-131.8	79.8	0	0	0	114.1
388	L	29.2	Very low	32.1	Very low	149 Å²	149	147.7 Å²	147.7	78%	0.78	78%	0.782	S	S	*	*			trans	73.5	159.6	162	-62	151	0	0	0	116.4
389	T	31.5	Very low	32.1	Very low	103 Å²	103	146.4 Å²	146.4	63%	0.632	78%	0.78	S	S	*	*			cis	-154.4	154.7	13.1	-20.1	0	0	0	0	113
390	Q	34.8	Very low	31.7	Very low	171 Å²	171	145.2 Å²	145.2	80%	0.799	77%	0.772	S	S	*	*			trans	62.3	136.9	155.7	-71.1	158.9	25.6	0	0	118.7
391	R	29.7	Very low	31.8	Very low	239 Å²	239	145.2 Å²	145.2	90%	0.902	78%	0.777	S	S	*	*				70.5	136.4	54	-71.9	-170.3	179.3	-162	1.3	113
392	S	32.5	Very low	31.9	Very low	97 Å²	97	143.1 Å²	143.1	68%	0.678	78%	0.78	S	S	*	*			cis	-164.8	177.6	5.6	48.8	0	0	0	0	112.1
393	S	33.6	Very low	31.8	Very low	103 Å²	103	148.6 Å²	148.6	72%	0.72	79%	0.787	S	S	*	*			trans	57.3	149.6	143.6	51.8	0	0	0	0	121
394	E	32.3	Very low	31.6	Very low	163 Å²	163	145.6 Å²	145.6	76%	0.762	78%	0.78	S	S	*	*			cis	-172.3	168.5	-23	-140.7	177.2	-162.4	0	0	107.7
395	N	32.6	Very low	31.4	Very low	153 Å²	153	141.8 Å²	141.8	82%	0.818	77%	0.774	S	S	*	*			trans	65.3	151.5	172.2	-50.7	-56.3	0	0	0	117.5
396	G	29	Very low	31.3	Very low	71 Å²	71	144.8 Å²	144.8	73%	0.732	78%	0.781	S	S	*	*			cis	136.6	98.1	-12.3	0	0	0	0	0	114.4
397	L	30.9	Very low	31	Very low	173 Å²	173	142.2 Å²	142.2	91%	0.906	78%	0.775	S	S	*	*			trans	-155	150.6	163	-152.6	65.6	0	0	0	114.4	V399	L397-V399 HydrophobicContact CD2-CG2 4.44Å
398	L	26	Very low	31	Very low	145 Å²	145	141.2 Å²	141.2	76%	0.759	78%	0.775	S	S	*	*			trans	-122	126.6	178.5	171.3	113.8	0	0	0	109.9
399	V	33.7	Very low	31.1	Very low	131 Å²	131	139.9 Å²	139.9	79%	0.794	77%	0.773	S	S	*	*			trans	-131.2	144.8	172.4	-176.6	0	0	0	0	110.5	L397	L397-V399 HydrophobicContact CD2-CG2 4.44Å
400	K	29.4	Very low	31	Very low	169 Å²	169	140.8 Å²	140.8	74%	0.735	78%	0.781	S	S	*	*			trans	-118.7	154.8	-175.4	-73.6	178.8	174.7	172.4	0	112.6
401	S	30.9	Very low	30.9	Very low	128 Å²	128	139.7 Å²	139.7	90%	0.895	79%	0.785	S	S	*	*			trans	80	143.2	161.2	-37.2	0	0	0	0	115.9
402	G	31.2	Very low	31.1	Very low	76 Å²	76	132.2 Å²	132.2	78%	0.784	77%	0.77	S	S	*	*			trans	-161	-54.3	-177.4	0	0	0	0	0	118.4
403	R	32.6	Very low	31.1	Very low	235 Å²	235	133.9 Å²	133.9	89%	0.887	77%	0.77	S	S	*	*			trans	67.9	139.5	178.9	-78.4	-177.9	177.7	172	0.6	119.1
404	I	30.4	Very low	31	Very low	142 Å²	142	130.8 Å²	130.8	73%	0.728	75%	0.751	S	S	*	*			trans	82.8	96.3	142.9	-67.6	164.7	0	0	0	120
405	C	27.3	Very low	31	Very low	100 Å²	100	130.7 Å²	130.7	68%	0.676	74%	0.744	S	S	*	*				64.4	124.4	122.4	-60.3	0	0	0	0	124.7
406	K	30.5	Very low	31	Very low	195 Å²	195	128.9 Å²	128.9	85%	0.848	74%	0.743	S	S	*	*			trans	71.7	146.8	136.2	-67.3	176.3	-178.6	-175.5	0	118.3
407	S	30.9	Very low	31.1	Very low	97 Å²	97	130.5 Å²	130.5	68%	0.678	74%	0.735	S	S	*	*			cis	-177.7	175.1	-17.2	49.2	0	0	0	0	109.3
408	V	31.3	Very low	31.3	Very low	126 Å²	126	128.8 Å²	128.8	76%	0.764	73%	0.727	S	S	*	*			trans	76	138.1	165.8	175.4	0	0	0	0	115.3
409	T	31.3	Very low	31.6	Very low	120 Å²	120	128 Å²	128	74%	0.736	72%	0.723	S	S	*	*			cis	-159.2	155.7	-23.9	29.1	0	0	0	0	108.9
410	P	30.2	Very low	31.5	Very low	123 Å²	123	126.4 Å²	126.4	80%	0.799	72%	0.718	S	S	*	*			trans	-93.9	169.5	174.2	38.1	-35.3	0	0	0	114.6
411	V	33.1	Very low	31.7	Very low	147 Å²	147	126.4 Å²	126.4	89%	0.891	73%	0.726	S	S	*	*			trans	-135.3	151.3	174.2	177.2	0	0	0	0	109.7
412	S	33	Very low	31.6	Very low	82 Å²	82	127.5 Å²	127.5	57%	0.573	72%	0.722	S	S	*	*			trans	-145.5	151.7	-177.9	60	0	0	0	0	112.3
413	L	32.9	Very low	31.7	Very low	133 Å²	133	131.8 Å²	131.8	70%	0.696	73%	0.726	S	S	*	*			trans	-151	113.7	-178.1	-151.2	72.6	0	0	0	116.2
414	A	31.6	Very low	31.4	Very low	38 Å²	38	124.1 Å²	124.1	31%	0.314	72%	0.72	S	S	.	*			trans	66.8	90.1	132.7	0	0	0	0	0	124.5	K604	A414-K604 HydrophobicContact CB-CB 3.66Å; A414-K604 HydrophobicContact CB-CD 3.25Å; A414-K604 HydrophobicContact CB-CG 4.14Å; A414-K604 PolarHBondContact N-O 2.79Å
415	R	31.9	Very low	31.6	Very low	161 Å²	161	124.9 Å²	124.9	61%	0.608	72%	0.724	S	S	*	*				47.9	119.3	103.7	-173.3	-178.2	-177.7	-175.3	2.5	121	K604	R415-K604 HydrophobicContact CB-CD 4.18Å
416	S	33	Very low	31.6	Very low	115 Å²	115	129.5 Å²	129.5	80%	0.804	73%	0.733	S	S	*	*			trans	-110	-169	152.7	-165.7	0	0	0	0	112.2
417	N	31.7	Very low	31.7	Very low	105 Å²	105	127.9 Å²	127.9	56%	0.561	73%	0.733	S	S	*	*			trans	-165.8	145.8	-173.1	-163.2	97.5	0	0	0	112.4
418	N	34.7	Very low	31.6	Very low	136 Å²	136	132 Å²	132	73%	0.727	74%	0.741	S	S	*	*			trans	164	124.1	136.4	-83.1	-5.1	0	0	0	117.6
419	N	32.5	Very low	31.5	Very low	129 Å²	129	132 Å²	132	69%	0.69	75%	0.745	S	S	*	*			trans	52.6	116.6	133	-58.8	7.5	0	0	0	125
420	S	31.1	Very low	31.4	Very low	98 Å²	98	131.5 Å²	131.5	69%	0.685	74%	0.742	S	S	*	*				60.3	118.5	120.8	-45.3	0	0	0	0	122.6
421	N	34.5	Very low	31.6	Very low	169 Å²	169	132.9 Å²	132.9	90%	0.904	74%	0.741	S	S	*	*				-172.3	178.5	101.6	-94.1	-14.5	0	0	0	113.4
422	D	28.6	Very low	31.6	Very low	151 Å²	151	131.7 Å²	131.7	81%	0.807	74%	0.737	S	S	*	*			trans	-100.1	-174.6	-163.3	-168.7	17.8	0	0	0	113.9
423	L	33.4	Very low	31.6	Very low	166 Å²	166	133 Å²	133	87%	0.869	75%	0.746	S	S	*	*			trans	104.6	118.2	172.8	-60.8	165.6	0	0	0	115.1
424	G	26.3	Very low	31.7	Very low	74 Å²	74	134.4 Å²	134.4	76%	0.763	75%	0.753	S	S	*	*			trans	-123	152.7	173.9	0	0	0	0	0	112.6
425	I	33.4	Very low	31.7	Very low	157 Å²	157	139.7 Å²	139.7	81%	0.805	78%	0.775	S	S	*	*			trans	-127	131.6	174.7	-63.6	178.7	0	0	0	108.9
426	K	28.4	Very low	31.8	Very low	198 Å²	198	137.1 Å²	137.1	86%	0.861	78%	0.78	S	S	*	*			trans	-95.1	142.6	164.2	-66.7	178.3	179.8	176	0	108.7
427	N	33.2	Very low	32	Very low	160 Å²	160	137 Å²	137	86%	0.856	78%	0.779	S	S	*	*			trans	-145.1	146.5	157.7	-96.2	-37.3	0	0	0	111.2
428	H	28.8	Very low	32.2	Very low	184 Å²	184	140.7 Å²	140.7	85%	0.852	79%	0.793	S	S	*	*			trans	-105.8	146.7	176.4	-96.5	-86.8	0	0	0	110.1
429	C	28.6	Very low	32.2	Very low	125 Å²	125	141 Å²	141	85%	0.845	79%	0.793	S	S	*	*			trans	-149.7	175.8	146	-136.9	0	0	0	0	110.9
430	T	29.7	Very low	31.9	Very low	110 Å²	110	142.4 Å²	142.4	68%	0.675	80%	0.8	S	S	*	*			trans	-159.4	152.7	-151.9	4.4	0	0	0	0	114.1
431	I	32.6	Very low	31.9	Very low	152 Å²	152	147.3 Å²	147.3	78%	0.779	81%	0.809	S	S	*	*			trans	73.2	152.2	157.9	-64	159.3	0	0	0	114.2
432	P	33.2	Very low	31.8	Very low	123 Å²	123	146.3 Å²	146.3	80%	0.799	80%	0.803	S	S	*	*			cis	-118.7	-175.2	0.2	22.5	1.2	0	0	0	115.3
433	S	34.3	Very low	31.9	Very low	110 Å²	110	146.7 Å²	146.7	77%	0.769	81%	0.805	S	S	*	*			trans	-112.2	165.8	172.7	56.4	0	0	0	0	112.5
434	I	34.1	Very low	31.9	Very low	162 Å²	162	144.1 Å²	144.1	83%	0.831	80%	0.801	S	S	*	*			trans	-156.3	149.6	155.6	-107.7	148.9	0	0	0	111.6
435	L	32.1	Very low	32.3	Very low	148 Å²	148	149.7 Å²	149.7	78%	0.775	81%	0.807	S	S	*	*			trans	-21.6	148.5	-178.2	-70.2	69.5	0	0	0	118.4
436	C	34.7	Very low	32.3	Very low	108 Å²	108	148.3 Å²	148.3	73%	0.73	81%	0.805	S	S	*	*			cis	-148.5	-157.3	8.4	-132	0	0	0	0	110.4
437	S	36.6	Very low	32.5	Very low	111 Å²	111	148 Å²	148	78%	0.776	81%	0.807	S	S	*	*			cis	-151	171.4	21.6	-54.9	0	0	0	0	112.6
438	E	35	Very low	32.4	Very low	184 Å²	184	147.9 Å²	147.9	86%	0.86	81%	0.807	S	S	*	*			trans	-94.7	169	178	-53.3	-174.6	123.7	0	0	112.1
439	I	34.6	Very low	32.8	Very low	143 Å²	143	147 Å²	147	73%	0.733	80%	0.803	S	S	*	*			cis	-133.4	141.9	17.9	-63.3	167.4	0	0	0	111.3	F441	I439-F441 HydrophobicContact CG2-CD2 4.17Å
440	L	27.1	Very low	33.1	Very low	157 Å²	157	147.8 Å²	147.8	82%	0.822	79%	0.794	S	S	*	*			trans	-119.7	141.9	161.7	-87.8	166.4	0	0	0	109.5
441	F	31.3	Very low	33.2	Very low	201 Å²	201	150.9 Å²	150.9	88%	0.882	80%	0.798	S	S	*	*			trans	-124.3	125	162.8	-109.4	-88.2	0	0	0	109.2	I439	I439-F441 HydrophobicContact CG2-CD2 4.17Å
442	L	31.5	Very low	33	Very low	148 Å²	148	153.8 Å²	153.8	78%	0.775	80%	0.799	S	S	*	*			trans	-146.7	141.8	-178.8	-119.2	166.9	0	0	0	108.6	S444	L442-S444 PolarHBondContact O-N 3.3Å
443	N	30.7	Very low	32.7	Very low	159 Å²	159	153.1 Å²	153.1	85%	0.85	80%	0.796	S	S	*	*			trans	-68.3	130.1	-171.6	-63.2	-38.8	0	0	0	112.5
444	S	33.7	Very low	32.4	Very low	113 Å²	113	154 Å²	154	79%	0.79	79%	0.792	S	S	*	*			trans	-165.2	114.6	137.1	39.9	0	0	0	0	114.3	L442	L442-S444 PolarHBondContact O-N 3.3Å
445	H	34.3	Very low	32.1	Very low	191 Å²	191	150.4 Å²	150.4	88%	0.884	78%	0.781	S	S	*	*			trans	-135.5	148.8	141.6	-96.6	44.5	0	0	0	103.7
446	V	33.6	Very low	31.9	Very low	127 Å²	127	150.3 Å²	150.3	77%	0.77	78%	0.781	S	S	*	*			cis	-139	135.3	25.3	176.6	0	0	0	0	110
447	Q	33.8	Very low	31.6	Very low	192 Å²	192	151.9 Å²	151.9	90%	0.897	78%	0.782	S	S	*	*				-178.5	145.5	123.3	-98.1	-177.3	15.5	0	0	109.9
448	N	31.1	Very low	31.2	Very low	158 Å²	158	151 Å²	151	85%	0.845	78%	0.776	S	S	*	*			trans	-156.2	169.4	-178	-160.6	-14.7	0	0	0	108.2
449	Q	35.8	Very low	30.8	Very low	165 Å²	165	148.8 Å²	148.8	77%	0.771	77%	0.77	S	S	*	*			trans	81.7	135.3	-165.5	-53.9	-176.9	32.5	0	0	113.2
450	H	35.2	Very low	30.6	Very low	141 Å²	141	151.7 Å²	151.7	65%	0.653	77%	0.772	S	S	*	*			cis	-139.6	158.6	8.4	-137.9	-80.6	0	0	0	114.2
451	K	31.9	Very low	30.7	Very low	176 Å²	176	150.9 Å²	150.9	77%	0.765	77%	0.768	S	S	*	*			trans	-45.3	156.7	175.5	-54	161.3	-173.2	169.9	0	112.9
452	R	28.6	Very low	30.6	Very low	212 Å²	212	148.1 Å²	148.1	80%	0.8	76%	0.763	S	S	*	*			cis	-139.5	-136.2	12.2	-143.6	-175.5	172.5	179.1	-2.1	109.6
453	C	26.5	Very low	30.5	Very low	110 Å²	110	146 Å²	146	74%	0.743	76%	0.756	S	S	*	*			cis	-149.7	-174.1	6.3	-146.9	0	0	0	0	113.3
454	L	28.5	Very low	30.4	Very low	129 Å²	129	145.1 Å²	145.1	68%	0.675	75%	0.751	S	S	*	*			trans	-96.7	168.4	172.6	-69.4	160.3	0	0	0	109.5
455	S	27.8	Very low	30.2	Very low	85 Å²	85	147 Å²	147	59%	0.594	75%	0.752	S	S	*	*			cis	-176.3	155	-18.6	52.2	0	0	0	0	110
456	N	27.2	Very low	29.9	Very low	147 Å²	147	145 Å²	145	79%	0.786	75%	0.748	S	S	*	*			trans	68.7	154.8	157.7	-65.5	0.6	0	0	0	120.2
457	N	28.2	Very low	29.8	Very low	140 Å²	140	143.5 Å²	143.5	75%	0.749	74%	0.743	S	S	*	*			trans	63.6	94.7	155.5	-69.8	8.7	0	0	0	120.2
458	S	29.1	Very low	29.5	Very low	93 Å²	93	140.9 Å²	140.9	65%	0.65	74%	0.736	S	S	*	*				78.8	122.2	108.9	-59.4	0	0	0	0	120
459	N	27.3	Very low	29.4	Very low	138 Å²	138	140.1 Å²	140.1	74%	0.738	73%	0.731	S	S	*	*			trans	79.2	131.3	137.4	-78.7	-25.9	0	0	0	120.2
460	R	29	Very low	29.1	Very low	204 Å²	204	137.1 Å²	137.1	77%	0.77	73%	0.729	S	S	*	*			trans	79.6	116.3	139.9	-73.8	173.3	-178.2	-179.7	-0.9	118.7
461	N	30.7	Very low	28.8	Very low	140 Å²	140	137.8 Å²	137.8	75%	0.749	73%	0.734	S	S	*	*				83.1	100.3	126.3	-61.6	7.6	0	0	0	117.9
462	N	28.4	Very low	28.7	Very low	143 Å²	143	135.1 Å²	135.1	77%	0.765	73%	0.728	S	S	*	*				58.8	125	112	-103	19.9	0	0	0	119.7
463	T	28.5	Very low	29	Very low	104 Å²	104	132.6 Å²	132.6	64%	0.638	72%	0.723	S	S	*	*			trans	66	129.5	137.7	57	0	0	0	0	119.4
464	N	29	Very low	29.1	Very low	140 Å²	140	133.9 Å²	133.9	75%	0.749	72%	0.723	S	S	*	*			trans	74.4	144.9	152	-56.4	-6.3	0	0	0	115
465	N	30	Very low	29.2	Very low	151 Å²	151	135.1 Å²	135.1	81%	0.807	73%	0.728	S	S	*	*			cis	-133.1	170.8	6.1	-102.2	-38.4	0	0	0	112.2
466	N	28.9	Very low	29.3	Very low	150 Å²	150	139.6 Å²	139.6	80%	0.802	74%	0.737	S	S	*	*			trans	-66.9	170.7	166.1	-80.8	-28.5	0	0	0	112.7
467	S	29.7	Very low	29.4	Very low	95 Å²	95	138.9 Å²	138.9	66%	0.664	73%	0.733	S	S	*	*			trans	92.3	103.5	151.1	-55.5	0	0	0	0	119.4
468	N	28.7	Very low	29.4	Very low	138 Å²	138	138.7 Å²	138.7	74%	0.738	73%	0.731	S	S	*	*				83.4	135.8	123	-59	-10.6	0	0	0	122.2
469	N	28.6	Very low	29.5	Very low	141 Å²	141	141.7 Å²	141.7	75%	0.754	74%	0.739	S	S	*	*			trans	69.5	90.1	139.3	-65	-2.8	0	0	0	122
470	S	29.9	Very low	29.7	Very low	102 Å²	102	138.3 Å²	138.3	71%	0.713	74%	0.737	S	S	*	*				85	168.5	109.4	82.7	0	0	0	0	121
471	M	28.9	Very low	29.8	Very low	155 Å²	155	135.6 Å²	135.6	76%	0.764	74%	0.737	S	S	*	*			trans	69.5	89.5	154.4	-69.3	-71.6	-179.6	0	0	119.8
472	N	30.2	Very low	29.9	Very low	121 Å²	121	135 Å²	135	65%	0.647	74%	0.739	S	S	*	*				85.1	140	110.9	-103.5	-30.8	0	0	0	123.2
473	K	33.3	Very low	30	Very low	158 Å²	158	139 Å²	139	69%	0.687	74%	0.743	S	S	*	*			trans	73.8	117.7	143.7	-71.1	169.1	-175.2	177.7	0	121
474	N	29.3	Very low	30.2	Very low	138 Å²	138	142.9 Å²	142.9	74%	0.738	75%	0.751	S	S	*	*				59.8	130.1	127.1	-48.7	-11.3	0	0	0	118.2
475	I	30.6	Very low	30.3	Very low	155 Å²	155	141.9 Å²	141.9	80%	0.795	75%	0.75	S	S	*	*				-166.2	122.1	85.4	-97.9	165.1	0	0	0	112
476	K	29.2	Very low	30.5	Very low	178 Å²	178	140.4 Å²	140.4	77%	0.774	75%	0.747	S	S	*	*				49.9	138.5	121.1	-115.4	-173.7	178.8	-178.6	0	122.1
477	L	29.7	Very low	30.6	Very low	133 Å²	133	142.1 Å²	142.1	70%	0.696	75%	0.747	S	S	*	*			trans	95.4	97.1	143.3	-63.4	169.7	0	0	0	122.9
478	N	28.6	Very low	30.8	Very low	135 Å²	135	143.4 Å²	143.4	72%	0.722	75%	0.751	S	S	*	*				68	146.9	99.9	-103.5	4.7	0	0	0	125.8
479	I	30.8	Very low	31.1	Very low	157 Å²	157	142.6 Å²	142.6	81%	0.805	75%	0.751	S	S	*	*			trans	83.6	140.9	145.2	-69.7	159.9	0	0	0	119.7
480	G	31.8	Very low	31.4	Very low	67 Å²	67	141.3 Å²	141.3	69%	0.691	75%	0.749	S	S	*	*			trans	105.8	81.9	169.5	0	0	0	0	0	114.1
481	N	30.1	Very low	31.7	Very low	146 Å²	146	142.3 Å²	142.3	78%	0.781	75%	0.751	S	S	*	*			cis	81	146.9	37	-152.7	7	0	0	0	114.7
482	T	33.7	Very low	32.1	Very low	128 Å²	128	138.9 Å²	138.9	79%	0.785	75%	0.747	S	S	*	*			trans	78.5	157.1	-176.6	74.6	0	0	0	0	118.1
483	R	29.8	Very low	32.5	Very low	226 Å²	226	138.8 Å²	138.8	85%	0.853	75%	0.751	S	S	*	*			cis	179.8	163.4	-48.6	-116	-179.5	173.5	-179	-2	108.5
484	K	34.1	Very low	32.7	Very low	187 Å²	187	137 Å²	137	81%	0.813	75%	0.753	S	S	*	*			trans	88.9	115.6	173.1	-57.2	177.6	179.4	177.7	0	114.3
485	T	30.7	Very low	33	Very low	119 Å²	119	135.7 Å²	135.7	73%	0.73	75%	0.751	S	S	*	*			cis	80.8	117.6	42.2	71.1	0	0	0	0	114.9
486	T	33.2	Very low	33.2	Very low	120 Å²	120	134 Å²	134	74%	0.736	75%	0.748	S	S	*	*				-173.7	139.3	107.4	24	0	0	0	0	112.3
487	K	32.4	Very low	33.5	Very low	185 Å²	185	130.4 Å²	130.4	80%	0.804	74%	0.741	S	S	*	*				46.1	137.6	129.5	-60	179.2	178.3	-174.9	0	119.6
488	T	32.7	Very low	33.7	Very low	123 Å²	123	129.6 Å²	129.6	76%	0.755	74%	0.742	S	S	*	*			cis	-147.8	-155.2	8.6	-6.6	0	0	0	0	109.8
489	T	36.3	Very low	33.9	Very low	120 Å²	120	128.2 Å²	128.2	74%	0.736	74%	0.738	S	S	*	*			cis	-145.3	-111.5	17.8	-37.2	0	0	0	0	113.1
490	T	34.2	Very low	34.1	Very low	114 Å²	114	127 Å²	127	70%	0.699	73%	0.733	S	S	*	*			trans	-146.5	171.1	-166.3	51.9	0	0	0	0	109.4
491	T	36.7	Very low	34.2	Very low	123 Å²	123	129.6 Å²	129.6	76%	0.755	73%	0.731	S	S	*	*			cis	-157.6	138.6	25.9	-31.4	0	0	0	0	112.7
492	A	37.6	Very low	34.5	Very low	83 Å²	83	128 Å²	128	69%	0.686	72%	0.723	S	S	*	*			trans	49.2	155.7	150.3	0	0	0	0	0	120.6
493	T	37.3	Very low	34.6	Very low	119 Å²	119	127.8 Å²	127.8	73%	0.73	72%	0.717	S	S	*	*			cis	-154.3	129.5	12.7	-10.4	0	0	0	0	106.8
494	T	37.7	Very low	35	Very low	120 Å²	120	123.5 Å²	123.5	74%	0.736	71%	0.711	S	S	*	*				75.2	124.5	101.8	-64.4	0	0	0	0	113.9
495	T	36.7	Very low	35.2	Very low	112 Å²	112	120.4 Å²	120.4	69%	0.687	70%	0.703	S	S	*	*			cis	-158	148.7	6.5	6.7	0	0	0	0	112.2
496	T	34.2	Very low	35.6	Very low	118 Å²	118	120.4 Å²	120.4	72%	0.724	70%	0.699	S	S	*	*			trans	25.3	162.9	135.3	68.3	0	0	0	0	122.3
497	T	35.1	Very low	35.7	Very low	103 Å²	103	120.3 Å²	120.3	63%	0.632	69%	0.694	S	S	*	*			cis	-164.8	138.2	26.1	-15.4	0	0	0	0	111.9
498	T	33.4	Very low	35.9	Very low	116 Å²	116	117.9 Å²	117.9	71%	0.712	69%	0.69	S	S	*	*			trans	47.7	149.9	135.3	60.2	0	0	0	0	122.6
499	T	33	Very low	36	Very low	107 Å²	107	117.8 Å²	117.8	66%	0.656	69%	0.685	S	S	*	*			cis	-176.8	164.9	-0.5	25.2	0	0	0	0	111
500	N	34.8	Very low	35.8	Very low	130 Å²	130	119.5 Å²	119.5	70%	0.695	69%	0.688	S	S	*	*			trans	69.9	153.3	143.4	-73.7	5.8	0	0	0	120.2
501	N	34.3	Very low	35.7	Very low	122 Å²	122	117.3 Å²	117.3	65%	0.652	69%	0.687	S	S	*	*			cis	-167.5	165.3	-29.6	-119.4	0.8	0	0	0	112.1
502	N	36.6	Very low	35.5	Very low	114 Å²	114	116.6 Å²	116.6	61%	0.61	69%	0.687	S	S	*	*			trans	69.1	109.6	142.9	-69	3.2	0	0	0	123.6
503	N	35.4	Very low	35	Very low	123 Å²	123	120.6 Å²	120.6	66%	0.658	70%	0.697	S	S	*	*				87.8	138.5	107.8	-66.3	-0.1	0	0	0	124
504	N	37.9	Very low	34.6	Very low	135 Å²	135	118.5 Å²	118.5	72%	0.722	69%	0.691	S	S	*	*			trans	67.8	152.4	148.9	-59.7	6.2	0	0	0	117
505	N	38.9	Very low	34.2	Very low	122 Å²	122	120.3 Å²	120.3	65%	0.652	69%	0.694	S	S	*	*			cis	-154.9	-174.1	-13.2	-115	34.6	0	0	0	107
506	D	39.5	Very low	33.9	Very low	119 Å²	119	119.3 Å²	119.3	64%	0.636	69%	0.692	S	S	*	*			cis	-143.2	-128.3	10.8	-151.1	-72.1	0	0	0	111.8
507	N	35.4	Very low	33.8	Very low	119 Å²	119	119.1 Å²	119.1	64%	0.636	69%	0.691	S	S	*	*			trans	-145.7	176.9	-163.3	-65.5	-77.9	0	0	0	114
508	N	36.8	Very low	33.8	Very low	133 Å²	133	120 Å²	120	71%	0.711	69%	0.692	S	S	*	*			trans	74	151.5	149.7	-61.8	-26.2	0	0	0	118.9
509	N	33.4	Very low	34	Very low	122 Å²	122	120.5 Å²	120.5	65%	0.652	69%	0.69	S	S	*	*			cis	-154.7	148.9	-19.8	-120.6	-17	0	0	0	114.5
510	I	32.9	Very low	34	Very low	156 Å²	156	121.1 Å²	121.1	80%	0.8	69%	0.694	S	S	*	*			trans	15.4	132.7	138.3	-61.8	168.4	0	0	0	120.6
511	G	32.8	Very low	34.1	Very low	67 Å²	67	118.8 Å²	118.8	69%	0.691	69%	0.693	S	S	*	*			trans	119.5	155.2	140.8	0	0	0	0	0	116.5
512	S	31.1	Very low	34	Very low	108 Å²	108	118.4 Å²	118.4	76%	0.755	70%	0.7	S	S	*	*			cis	178.8	147	-41.1	42.7	0	0	0	0	109.3
513	L	28.3	Very low	34.1	Very low	168 Å²	168	117.7 Å²	117.7	88%	0.88	70%	0.704	S	S	*	*			trans	74.1	134.4	160.2	-109.5	72.1	0	0	0	120.7
514	A	28.6	Very low	34	Very low	74 Å²	74	118.2 Å²	118.2	61%	0.612	71%	0.707	S	S	*	*				101.3	102.7	123.4	0	0	0	0	0	123.2
515	I	29.4	Very low	34	Very low	158 Å²	158	117.7 Å²	117.7	81%	0.81	70%	0.704	S	S	*	*				83.6	142	117.3	-66.8	165.1	0	0	0	120.9
516	S	30.2	Very low	33.7	Very low	91 Å²	91	116.3 Å²	116.3	64%	0.636	70%	0.703	S	S	*	*			trans	84.9	122.4	150.6	56	0	0	0	0	123.6
517	T	33.1	Very low	33.5	Very low	114 Å²	114	117.2 Å²	117.2	70%	0.699	71%	0.708	S	S	*	*				66.1	142.2	129.6	61.8	0	0	0	0	120.4
518	D	34.9	Very low	33.4	Very low	122 Å²	122	117.7 Å²	117.7	65%	0.652	71%	0.711	S	S	*	*			cis	-170.7	162.8	-0.5	-117.3	12.3	0	0	0	113
519	N	35.8	Very low	33.3	Very low	126 Å²	126	117 Å²	117	67%	0.674	71%	0.707	S	S	*	*			trans	59.5	149.2	142.6	-60.2	-22.9	0	0	0	121.6
520	T	34.5	Very low	33.3	Very low	120 Å²	120	117.2 Å²	117.2	74%	0.736	71%	0.708	S	S	*	*			cis	-165	160.8	-9.8	17.6	0	0	0	0	111
521	A	35.9	Very low	33.4	Very low	82 Å²	82	115.6 Å²	115.6	68%	0.678	71%	0.711	S	S	*	*			trans	59.7	114.6	146.8	0	0	0	0	0	119.6
522	S	33.4	Very low	33.3	Very low	114 Å²	114	116 Å²	116	80%	0.797	72%	0.716	S	S	*	*				84	141.1	87.3	87	0	0	0	0	113.8
523	S	37.2	Very low	33.3	Very low	98 Å²	98	117.8 Å²	117.8	69%	0.685	72%	0.721	S	S	*	*			cis	-164.2	157.5	11.4	51.5	0	0	0	0	113.2
524	N	34.5	Very low	33.5	Very low	135 Å²	135	113.3 Å²	113.3	72%	0.722	70%	0.704	S	S	*	*			trans	79.4	145.6	140.1	-86.4	42.2	0	0	0	124.7
525	D	36.7	Very low	33.7	Very low	124 Å²	124	115 Å²	115	66%	0.663	70%	0.703	S	S	*	*			trans	77.1	72.3	139.7	-55.6	-21.1	0	0	0	124.6
526	S	34	Very low	33.8	Very low	92 Å²	92	111.1 Å²	111.1	64%	0.643	69%	0.69	S	S	*	*				78.6	150	107.5	80	0	0	0	0	123.7
527	N	34.9	Very low	33.8	Very low	138 Å²	138	114.4 Å²	114.4	74%	0.738	70%	0.7	S	S	*	*			trans	77.6	101.8	147.6	-61.9	-19	0	0	0	122
528	N	33.2	Very low	33.7	Very low	130 Å²	130	114 Å²	114	70%	0.695	70%	0.702	S	S	*	*				96.1	135.1	117.2	-86.1	39.2	0	0	0	124.2
529	D	34.6	Very low	33.5	Very low	117 Å²	117	115.1 Å²	115.1	63%	0.626	71%	0.708	S	S	*	*			trans	80.7	91.2	136.3	-62.8	-26	0	0	0	123.3
530	N	33.8	Very low	33.3	Very low	128 Å²	128	113.2 Å²	113.2	68%	0.684	70%	0.704	S	S	*	*				82.5	98.4	113.2	-66.7	-39.7	0	0	0	121.8
531	S	33.7	Very low	33.1	Very low	121 Å²	121	115 Å²	115	85%	0.846	71%	0.709	S	S	*	*				89	146.2	110.8	80	0	0	0	0	120.1
532	G	32	Very low	32.7	Very low	77 Å²	77	115.5 Å²	115.5	79%	0.794	71%	0.707	S	S	*	*			trans	143.2	63.4	166.3	0	0	0	0	0	116
533	V	31.4	Very low	32.5	Very low	145 Å²	145	117.1 Å²	117.1	88%	0.879	71%	0.705	S	S	*	*			trans	-111.9	121.1	178.9	177.7	0	0	0	0	112.8
534	S	32	Very low	32.1	Very low	73 Å²	73	117.3 Å²	117.3	51%	0.51	71%	0.707	S	S	.	*			trans	-164.2	140.7	153.8	-56.8	0	0	0	0	105.2
535	D	32.6	Very low	31.7	Very low	110 Å²	110	115.8 Å²	115.8	59%	0.588	71%	0.707	S	S	*	*			cis	-168.7	166.5	44.5	-138.8	-20.3	0	0	0	112.6	Y736	D535-Y736 HydrophobicContact CB-CE1 3.96Å; D535-Y736 HydrophobicContact CB-CE2 4.29Å; D535-Y736 WeakPolarHBondContact CB-OH 3.12Å
536	S	32.3	Very low	31.3	Very low	77 Å²	77	114.9 Å²	114.9	54%	0.538	71%	0.71	S	S	.	*			trans	24.5	121.7	157.2	68.3	0	0	0	0	125.3
537	N	30.3	Very low	30.9	Very low	160 Å²	160	115.7 Å²	115.7	86%	0.856	71%	0.706	S	S	*	*				60.1	116.4	121	-56.9	-24	0	0	0	124.8
538	S	31	Very low	30.6	Very low	105 Å²	105	114.1 Å²	114.1	73%	0.734	70%	0.696	S	S	*	*				-164.1	117	127.3	59.9	0	0	0	0	109.9
539	N	29.9	Very low	30.5	Very low	146 Å²	146	110 Å²	110	78%	0.781	68%	0.678	S	S	*	*				62.2	142.6	93.7	-69.8	-20.9	0	0	0	116.3
540	S	30.9	Very low	30.2	Very low	85 Å²	85	110.9 Å²	110.9	59%	0.594	68%	0.683	S	S	*	*			cis	-179.9	146.1	-19	54.4	0	0	0	0	111.3
541	L	29.9	Very low	30	Very low	158 Å²	158	112 Å²	112	83%	0.827	69%	0.688	S	S	*	*			trans	67.4	162.4	156.8	-62.6	159.1	0	0	0	116.2
542	S	28.8	Very low	29.8	Very low	93 Å²	93	110.2 Å²	110.2	65%	0.65	68%	0.676	S	S	*	*			cis	-155.5	147.9	6.8	0.2	0	0	0	0	113.6
543	I	28.1	Very low	29.7	Very low	148 Å²	148	117.1 Å²	117.1	76%	0.759	68%	0.678	S	S	*	*			trans	48.1	113.1	134.3	-46.9	161.9	0	0	0	116.8
544	S	28.6	Very low	29.7	Very low	102 Å²	102	115 Å²	115	71%	0.713	67%	0.67	S	S	*	*				-167.4	151.3	85.5	-64.1	0	0	0	0	114.9
545	S	27.9	Very low	29.5	Very low	103 Å²	103	116.9 Å²	116.9	72%	0.72	68%	0.683	S	S	*	*			trans	20.7	115.3	136.5	-48	0	0	0	0	119.4
546	S	27.2	Very low	29.6	Very low	105 Å²	105	117.4 Å²	117.4	73%	0.734	70%	0.696	S	S	*	*				73.7	141.8	82	89.9	0	0	0	0	114.4
547	I	26.6	Very low	29.5	Very low	108 Å²	108	118.9 Å²	118.9	55%	0.554	71%	0.706	S	S	*	*			cis	-173.1	149.3	11	-140.6	170.1	0	0	0	110.6	H899	I547-H899 WeakPolarHBondContact CG2-CE1 3.43Å; I547-H899 WeakPolarHBondContact CG2-NE2 3.5Å
548	I	28.6	Very low	29.6	Very low	105 Å²	105	116.7 Å²	116.7	54%	0.538	70%	0.703	S	S	.	*			trans	65.6	152.7	156.5	-71.8	167	0	0	0	116.9	H899	I548-H899 HydrophobicContact CG2-CB 4.22Å
549	S	30	Very low	29.5	Very low	45 Å²	45	116.9 Å²	116.9	32%	0.315	70%	0.704	S	S	.	*			cis	-145.5	144.2	10.5	-5.6	0	0	0	0	117.2	N901	S549-N901 WeakPolarHBondContact CB-OD1 3.47Å; S549-N901 PolarHBondContact N-OD1 2.87Å; S549-N901 PolarHBondContact OG-OD1 3.1Å
550	N	29.7	Very low	29.5	Very low	135 Å²	135	114.8 Å²	114.8	72%	0.722	71%	0.707	S	S	*	*				62.5	142.4	125.9	-57.8	-18.4	0	0	0	126.1
551	N	29.1	Very low	29.4	Very low	150 Å²	150	116.3 Å²	116.3	80%	0.802	72%	0.718	S	S	*	*			trans	68.1	146	149.7	-63.6	-27.6	0	0	0	118.1
552	S	29.6	Very low	29.3	Very low	84 Å²	84	115.8 Å²	115.8	59%	0.587	71%	0.714	S	S	*	*			cis	-164.8	168.8	-19.8	70.7	0	0	0	0	106.5
553	R	29.1	Very low	29.2	Very low	222 Å²	222	117.4 Å²	117.4	84%	0.838	72%	0.721	S	S	*	*			cis	-160.9	-174.2	18.3	-123.7	152.4	-165.2	131.8	-7.6	105.6
554	S	31.6	Very low	29.3	Very low	102 Å²	102	117.3 Å²	117.3	71%	0.713	72%	0.717	S	S	*	*			cis	-161.4	-177.2	4.2	29.1	0	0	0	0	109.8
555	S	28.6	Very low	29.2	Very low	112 Å²	112	119.5 Å²	119.5	78%	0.783	73%	0.726	S	S	*	*			trans	-25.2	135.4	164.8	53.2	0	0	0	0	117.6
556	S	33.6	Very low	29.2	Very low	121 Å²	121	120 Å²	120	85%	0.846	72%	0.72	S	S	*	*				-149	178.6	77.2	57.9	0	0	0	0	115.6
557	S	29.6	Very low	29.3	Very low	108 Å²	108	120.5 Å²	120.5	76%	0.755	72%	0.719	S	S	*	*			trans	-80.6	145.9	-165.8	50.9	0	0	0	0	116.6
558	S	32.8	Very low	29.3	Very low	113 Å²	113	123.3 Å²	123.3	79%	0.79	74%	0.735	S	S	*	*				-169.7	142.2	127.5	-83.8	0	0	0	0	115.2
559	S	30.5	Very low	29.6	Very low	109 Å²	109	122.8 Å²	122.8	76%	0.762	74%	0.741	S	S	*	*			trans	24.1	107	154.9	58.9	0	0	0	0	122.3
560	A	28.2	Very low	29.9	Very low	103 Å²	103	126.4 Å²	126.4	85%	0.851	76%	0.763	S	S	*	*				39.4	112.3	126	0	0	0	0	0	121.6
561	S	29.4	Very low	30	Very low	117 Å²	117	130.8 Å²	130.8	82%	0.818	77%	0.77	S	S	*	*			trans	-148	160	133	56.3	0	0	0	0	110.2
562	I	27.4	Very low	30.1	Very low	146 Å²	146	129 Å²	129	75%	0.749	77%	0.768	S	S	*	*			trans	-112.9	130.4	-173.2	-62.2	168.9	0	0	0	109.3	E564	I562-E564 HydrophobicContact CG2-CB 4.36Å; I562-E564 HydrophobicContact CG2-CG 3.93Å
563	T	27.2	Very low	30.1	Very low	128 Å²	128	135 Å²	135	79%	0.785	78%	0.779	S	S	*	*			trans	-131.8	60.1	174.4	-43.1	0	0	0	0	111
564	E	30	Very low	30	Very low	146 Å²	146	131.3 Å²	131.3	68%	0.682	78%	0.776	S	S	*	*			trans	-77.2	116.9	171.4	-71.7	-176.6	134.2	0	0	110.8	I562 L566	I562-E564 HydrophobicContact CG2-CB 4.36Å; I562-E564 HydrophobicContact CG2-CG 3.93Å; E564-L566 HydrophobicContact CB-CD1 3.97Å; E564-L566 HydrophobicContact CB-CG 4.1Å; E564-L566 HydrophobicContact CG-CD1 4.34Å; E564-L566 PolarHBondContact O-N 3.46Å
565	T	26.6	Very low	29.9	Very low	148 Å²	148	133.3 Å²	133.3	91%	0.908	78%	0.777	S	S	*	*			trans	-81.8	68.2	171.7	23.2	0	0	0	0	110.8
566	L	28.2	Very low	29.8	Very low	112 Å²	112	133.3 Å²	133.3	59%	0.586	77%	0.773	S	S	*	*			trans	-106.5	113.5	-175.5	-78.3	174.3	0	0	0	114.3	E564	E564-L566 HydrophobicContact CB-CD1 3.97Å; E564-L566 HydrophobicContact CB-CG 4.1Å; E564-L566 HydrophobicContact CG-CD1 4.34Å; E564-L566 PolarHBondContact O-N 3.46Å
567	T	28.7	Very low	29.6	Very low	116 Å²	116	133.3 Å²	133.3	71%	0.712	77%	0.767	S	S	*	*			trans	38.3	97.7	140.9	59.4	0	0	0	0	118.6	S569	T567-S569 PolarHBondContact O-N 3.5Å; T567-S569 VanDerWaalsContact O-N 3.13Å
568	N	28.2	Very low	29.6	Very low	168 Å²	168	136.6 Å²	136.6	90%	0.898	77%	0.768	S	S	*	*			trans	-67.7	107.8	159.2	-87.1	-23.1	0	0	0	110.5
569	S	33.7	Very low	29.3	Very low	94 Å²	94	138.5 Å²	138.5	66%	0.657	77%	0.769	S	S	*	*			trans	-131.3	138.8	173	-175.3	0	0	0	0	109.1	T567 R571	T567-S569 PolarHBondContact O-N 3.5Å; T567-S569 VanDerWaalsContact O-N 3.13Å; S569-R571 PolarHBondContact O-N 3.17Å
570	P	36.5	Very low	29.4	Very low	120 Å²	120	140 Å²	140	78%	0.779	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-64	131.1	-176.3	25.1	-33.4	0	0	0	111.6	C572	P570-C572 PolarHBondContact O-N 2.89Å
571	R	32.6	Very low	29.3	Very low	228 Å²	228	142.7 Å²	142.7	86%	0.86	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-59.2	119.1	-169.1	-70.7	176.3	172.6	164.7	-3.3	113.3	S569	S569-R571 PolarHBondContact O-N 3.17Å
572	C	29.6	Very low	29.4	Very low	113 Å²	113	145 Å²	145	76%	0.764	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-79.8	129.2	155	-68.8	0	0	0	0	109.3	P570 N574	P570-C572 PolarHBondContact O-N 2.89Å; C572-N574 PolarHBondContact O-N 3.31Å; C572-N574 VanDerWaalsContact O-N 3.13Å
573	Y	30.5	Very low	29.4	Very low	208 Å²	208	142.7 Å²	142.7	82%	0.816	77%	0.766	S	S	*	*			trans	-77	93.6	173.3	-84.6	-94.6	0	0	0	111.1	I575	Y573-I575 PolarHBondContact O-N 3.35Å
574	N	27	Very low	29.7	Very low	145 Å²	145	145 Å²	145	78%	0.775	77%	0.768	S	S	*	*			trans	-81.6	96	168.3	-78.7	-16.9	0	0	0	110.4	C572 T576	C572-N574 PolarHBondContact O-N 3.31Å; C572-N574 VanDerWaalsContact O-N 3.13Å; N574-T576 PolarHBondContact O-N 3.47Å
575	I	29	Very low	29.6	Very low	145 Å²	145	143 Å²	143	74%	0.744	77%	0.771	S	S	*	*			trans	-81.7	99.6	168.5	-59.6	179.1	0	0	0	108.5	Y573 V577	Y573-I575 PolarHBondContact O-N 3.35Å; I575-V577 HydrophobicContact CG2-CG2 4.08Å
576	T	26.3	Very low	29.8	Very low	112 Å²	112	141 Å²	141	69%	0.687	76%	0.763	S	S	*	*			trans	-97.1	92.5	177.7	-54.1	0	0	0	0	110.2	N574 K578	N574-T576 PolarHBondContact O-N 3.47Å; T576-K578 PolarHBondContact O-N 2.79Å
577	V	29.2	Very low	29.9	Very low	120 Å²	120	141.6 Å²	141.6	73%	0.727	77%	0.767	S	S	*	*			trans	-77.1	115.6	172.3	-174.8	0	0	0	0	109.2	I575	I575-V577 HydrophobicContact CG2-CG2 4.08Å
578	K	29.8	Very low	30.1	Very low	177 Å²	177	141.4 Å²	141.4	77%	0.77	76%	0.761	S	S	*	*			trans	-98.8	124.4	169.1	-77.2	-172.6	174.5	-177.2	0	109.8	T576	T576-K578 PolarHBondContact O-N 2.79Å
579	N	27	Very low	30.2	Very low	154 Å²	154	140.5 Å²	140.5	82%	0.824	75%	0.751	S	S	*	*			trans	-65.7	134.3	167.5	-68.6	-7.9	0	0	0	109.9
580	I	31.7	Very low	30.1	Very low	141 Å²	141	140.6 Å²	140.6	72%	0.723	75%	0.752	S	S	*	*			trans	-132.8	112.7	163.1	-62.1	-178.4	0	0	0	107.2	L582	I580-L582 HydrophobicContact CG2-CD1 4.31Å
581	N	26.7	Very low	29.9	Very low	158 Å²	158	142.9 Å²	142.9	85%	0.845	75%	0.75	S	S	*	*			trans	-75.5	140.1	162.2	-75.4	-18.6	0	0	0	108.6
582	L	31.7	Very low	29.9	Very low	167 Å²	167	139 Å²	139	87%	0.874	75%	0.746	S	S	*	*			trans	-154.5	147.3	152.5	-105.7	145.3	0	0	0	109.2	I580	I580-L582 HydrophobicContact CG2-CD1 4.31Å
583	S	27	Very low	30.1	Very low	97 Å²	97	137.9 Å²	137.9	68%	0.678	75%	0.745	S	S	*	*			trans	-126.8	-178.1	-166.7	54.7	0	0	0	0	111.2
584	Q	33.2	Very low	30.1	Very low	175 Å²	175	132.2 Å²	132.2	82%	0.818	74%	0.736	S	S	*	*			trans	89	113.1	-177.1	-59.1	170.8	-9.2	0	0	111.5
585	S	29.2	Very low	30.4	Very low	106 Å²	106	134.4 Å²	134.4	74%	0.741	74%	0.739	S	S	*	*				67.2	134.9	62.5	75.8	0	0	0	0	112.2
586	S	30.7	Very low	30.5	Very low	106 Å²	106	131.5 Å²	131.5	74%	0.741	73%	0.731	S	S	*	*			cis	-163	176.4	-0.2	39.6	0	0	0	0	106.1
587	N	29.1	Very low	30.9	Very low	124 Å²	124	134.7 Å²	134.7	66%	0.663	74%	0.735	S	S	*	*			cis	-171.3	-178.2	31.2	-153.2	32.4	0	0	0	109.4
588	D	33.5	Very low	31	Very low	112 Å²	112	134.7 Å²	134.7	60%	0.599	73%	0.731	S	S	*	*			trans	66.1	152.6	152.3	-65.1	-44.7	0	0	0	121.6
589	Q	31.1	Very low	31.1	Very low	148 Å²	148	132.3 Å²	132.3	69%	0.692	73%	0.727	S	S	*	*			cis	-164.1	147.5	-42	-132.2	-169.9	95	0	0	111.4
590	S	31.1	Very low	31.3	Very low	96 Å²	96	133.7 Å²	133.7	67%	0.671	73%	0.726	S	S	*	*			trans	72.1	159.7	153.5	94.8	0	0	0	0	117.6
591	K	31.5	Very low	31.1	Very low	168 Å²	168	130.9 Å²	130.9	73%	0.73	72%	0.719	S	S	*	*			cis	-162.2	173.6	-11.1	-126.1	166.6	-162.3	163.6	0	110.9
592	N	33.9	Very low	31.1	Very low	146 Å²	146	131.1 Å²	131.1	78%	0.781	72%	0.719	S	S	*	*			trans	76.4	129.4	166.2	-55.3	-22.6	0	0	0	116.4
593	A	33.4	Very low	31	Very low	90 Å²	90	126.7 Å²	126.7	74%	0.744	70%	0.702	S	S	*	*			cis	104.2	139.9	27.3	0	0	0	0	0	112
594	S	30.6	Very low	31.2	Very low	89 Å²	89	126.4 Å²	126.4	62%	0.622	69%	0.688	S	S	*	*			cis	-171.2	179.5	-7.2	52.6	0	0	0	0	111.4
595	K	33.3	Very low	31	Very low	192 Å²	192	121.3 Å²	121.3	84%	0.835	67%	0.669	S	S	*	*			trans	78.3	147.6	160.6	-63.8	165.4	-175	173.7	0	117.5
596	S	29.8	Very low	31	Very low	84 Å²	84	123.2 Å²	123.2	59%	0.587	67%	0.671	S	S	*	*			cis	-171.7	166.2	-20.9	62.4	0	0	0	0	112.2
597	K	35	Very low	31	Very low	178 Å²	178	123.6 Å²	123.6	77%	0.774	67%	0.674	S	S	*	*			trans	73.7	146.1	157.8	-64.1	168.7	-174.8	179.1	0	116.2
598	N	32.4	Very low	30.9	Very low	121 Å²	121	125 Å²	125	65%	0.647	68%	0.681	S	S	*	*			cis	-162	150.8	-10.5	-117.2	1.2	0	0	0	112.2
599	N	31.4	Very low	30.7	Very low	127 Å²	127	127.9 Å²	127.9	68%	0.679	70%	0.695	S	S	*	*			trans	63.5	153.9	157	-58.8	-30.8	0	0	0	117.3
600	K	31.2	Very low	30.5	Very low	182 Å²	182	125.5 Å²	125.5	79%	0.791	70%	0.695	S	S	*	*			cis	-168.3	159.6	-16.9	-105.5	-177.5	179.6	-176	0	106.2
601	S	27.6	Very low	30.4	Very low	83 Å²	83	125.8 Å²	125.8	58%	0.58	70%	0.697	S	S	*	*			cis	179.1	148.4	-26.4	50.7	0	0	0	0	109.3
602	L	27	Very low	30.3	Very low	163 Å²	163	127.1 Å²	127.1	85%	0.853	70%	0.703	S	S	*	*			trans	67.7	161.3	176.1	-75.6	72.3	0	0	0	115
603	S	28.3	Very low	30	Very low	73 Å²	73	126.2 Å²	126.2	51%	0.51	71%	0.706	S	S	.	*			cis	-177.1	166	-24.3	64.1	0	0	0	0	108.6
604	K	31.4	Very low	29.8	Very low	91 Å²	91	131.1 Å²	131.1	40%	0.396	71%	0.711	S	S	.	*			cis	-164.5	112.6	-10.8	-119.6	-177.7	-176.1	-174.1	0	109.3	A414 R415	A414-K604 HydrophobicContact CB-CB 3.66Å; A414-K604 HydrophobicContact CB-CD 3.25Å; A414-K604 HydrophobicContact CB-CG 4.14Å; A414-K604 PolarHBondContact N-O 2.79Å; R415-K604 HydrophobicContact CB-CD 4.18Å
605	T	29.9	Very low	29.8	Very low	68 Å²	68	134.1 Å²	134.1	42%	0.417	72%	0.72	S	S	.	*			trans	49.6	121.1	146.3	58.5	0	0	0	0	124.4
606	N	29.5	Very low	29.6	Very low	146 Å²	146	135.8 Å²	135.8	78%	0.781	72%	0.721	S	S	*	*				59.9	122.6	127.1	-56.4	17	0	0	0	124.2
607	S	29.3	Very low	29.5	Very low	114 Å²	114	140 Å²	140	80%	0.797	73%	0.732	S	S	*	*				-154.4	152	121.9	-33.8	0	0	0	0	110.5
608	D	28	Very low	29.2	Very low	153 Å²	153	137.6 Å²	137.6	82%	0.818	73%	0.732	S	S	*	*			trans	13.3	129.4	162.8	-49.7	-25.8	0	0	0	122.5
609	I	28.9	Very low	29	Very low	173 Å²	173	138.3 Å²	138.3	89%	0.887	73%	0.734	S	S	*	*				-179.5	158.4	129.6	-96	159.4	0	0	0	110.7
610	S	26.7	Very low	29.1	Very low	98 Å²	98	139.6 Å²	139.6	69%	0.685	74%	0.739	S	S	*	*			trans	-76.4	162.5	-172	62.3	0	0	0	0	117.1
611	S	28.8	Very low	29.1	Very low	103 Å²	103	137.8 Å²	137.8	72%	0.72	74%	0.738	S	S	*	*			trans	89.3	155.9	153.3	84.1	0	0	0	0	119.7
612	K	29	Very low	29.3	Very low	196 Å²	196	138.3 Å²	138.3	85%	0.852	74%	0.74	S	S	*	*			trans	75.9	101.4	173.2	-58.1	179.2	-177.4	178.6	0	117.7
613	C	29.5	Very low	29.4	Very low	126 Å²	126	137.4 Å²	137.4	85%	0.851	74%	0.736	S	S	*	*			trans	-101.9	145.3	139	-81.3	0	0	0	0	109.9
614	F	27.9	Very low	29.7	Very low	194 Å²	194	141.5 Å²	141.5	85%	0.851	75%	0.751	S	S	*	*			trans	-41.1	143.6	-179.6	-57.2	-96	0	0	0	116.4
615	D	30.2	Very low	29.7	Very low	151 Å²	151	143.7 Å²	143.7	81%	0.807	77%	0.766	S	S	*	*				-150.1	170.8	102	-131.2	-35.2	0	0	0	112.5
616	R	30.2	Very low	29.8	Very low	227 Å²	227	147.6 Å²	147.6	86%	0.857	78%	0.784	S	S	*	*			trans	-84.4	127.6	-158	-61.7	172.2	176.6	167.7	-1.5	115.7
617	E	27.2	Very low	29.9	Very low	173 Å²	173	149 Å²	149	81%	0.808	78%	0.783	S	S	*	*			trans	-86.6	140.3	156.6	-70.8	-171.7	125.1	0	0	111
618	V	29.5	Very low	30	Very low	128 Å²	128	152.7 Å²	152.7	78%	0.776	79%	0.788	S	S	*	*			trans	-111.3	105.8	167.4	177.1	0	0	0	0	108.8	I620	V618-I620 HydrophobicContact CG1-CG1 4.3Å
619	I	27.6	Very low	30.1	Very low	136 Å²	136	154.8 Å²	154.8	70%	0.697	79%	0.79	S	S	*	*			trans	-92.9	114.9	175.7	-59.4	173.8	0	0	0	108.4
620	I	33.9	Very low	30.2	Very low	153 Å²	153	152 Å²	152	79%	0.785	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-93.4	124	169.6	-61	-178	0	0	0	108.8	V618	V618-I620 HydrophobicContact CG1-CG1 4.3Å
621	N	31.4	Very low	30.3	Very low	144 Å²	144	157.1 Å²	157.1	77%	0.77	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-86.4	135.7	-166	-140.7	2.3	0	0	0	111.7
622	P	31.1	Very low	30.3	Very low	94 Å²	94	161.8 Å²	161.8	61%	0.61	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-87.5	151.8	173.4	34.1	-33.8	0	0	0	113
623	N	29.8	Very low	30.3	Very low	145 Å²	145	159.3 Å²	159.3	78%	0.775	80%	0.798	S	S	*	*			trans	81.6	98.7	167.9	-42.4	-70.9	0	0	0	118.8
624	L	34.6	Very low	30.2	Very low	158 Å²	158	158.1 Å²	158.1	83%	0.827	79%	0.791	S	S	*	*				-131.7	118.6	124.8	-72.5	175.6	0	0	0	104.8
625	I	30.4	Very low	30.2	Very low	137 Å²	137	158 Å²	158	70%	0.703	79%	0.79	S	S	*	*				52.8	107	85	-59.2	174.8	0	0	0	108.7
626	D	32.3	Very low	30.1	Very low	151 Å²	151	158.4 Å²	158.4	81%	0.807	79%	0.792	S	S	*	*				-136.7	171.8	71.5	-146.8	-11.5	0	0	0	117.1
627	K	30.7	Very low	30.1	Very low	176 Å²	176	155.1 Å²	155.1	77%	0.765	79%	0.791	S	S	*	*			trans	-109.6	126.4	-175.5	-61.9	165.8	-176.9	162	0	111.3
628	Q	33.3	Very low	30.1	Very low	191 Å²	191	152.4 Å²	152.4	89%	0.893	79%	0.791	S	S	*	*			trans	-149.8	162.1	143	-118.8	169.9	100.2	0	0	114.9
629	K	29	Very low	30.1	Very low	196 Å²	196	156.1 Å²	156.1	85%	0.852	80%	0.797	S	S	*	*			trans	-76.1	162.8	-165.7	-53.7	143	-175.8	170.1	0	109.4
630	S	31.6	Very low	30.2	Very low	114 Å²	114	155 Å²	155	80%	0.797	80%	0.801	S	S	*	*			cis	-162.2	-176.1	29.7	68.8	0	0	0	0	112.9
631	K	28.2	Very low	29.9	Very low	206 Å²	206	160.1 Å²	160.1	90%	0.896	81%	0.811	S	S	*	*			trans	-100.6	112.8	-178.2	-66.8	178.4	179.3	177.6	0	113.3
632	K	28.3	Very low	30	Very low	201 Å²	201	160.2 Å²	160.2	87%	0.874	81%	0.809	S	S	*	*			trans	-170.3	152.7	155	-101.8	166	-176.2	179.3	0	106
633	L	30.5	Very low	30.1	Very low	145 Å²	145	158.7 Å²	158.7	76%	0.759	80%	0.801	S	S	*	*			cis	-142.5	141.2	9.8	-176	67.2	0	0	0	109.5
634	S	27.2	Very low	30.5	Very low	100 Å²	100	160.5 Å²	160.5	70%	0.699	81%	0.805	S	S	*	*			trans	-93.7	153.2	168.4	56.2	0	0	0	0	111
635	K	26.9	Very low	30.5	Very low	192 Å²	192	154.1 Å²	154.1	84%	0.835	78%	0.778	S	S	*	*			trans	77.9	98	-172	-50.3	171.7	-179.7	177.5	0	115.1
636	L	27.6	Very low	30.8	Very low	160 Å²	160	152.1 Å²	152.1	84%	0.838	77%	0.768	S	S	*	*			trans	-171.6	102	141.9	-106.6	161.3	0	0	0	110.2
637	N	30.7	Very low	30.9	Very low	157 Å²	157	151.7 Å²	151.7	84%	0.84	76%	0.762	S	S	*	*			trans	154.8	55.9	152.2	-82.6	-13.4	0	0	0	113.3
638	S	27.5	Very low	31.2	Very low	117 Å²	117	147.8 Å²	147.8	82%	0.818	75%	0.749	S	S	*	*			trans	-93.1	79.3	163.9	58.5	0	0	0	0	110
639	K	28.8	Very low	31.2	Very low	206 Å²	206	142.8 Å²	142.8	90%	0.896	73%	0.728	S	S	*	*			trans	-161.7	54.7	177.7	-119.6	169.6	-172	-177.3	0	116.1
640	S	31	Very low	31.5	Very low	112 Å²	112	142.8 Å²	142.8	78%	0.783	72%	0.723	S	S	*	*			trans	-151.4	54.5	165.3	52.9	0	0	0	0	113.1	I642	S640-I642 VanDerWaalsContact C-N 3.33Å; S640-I642 PolarHBondContact O-N 2.89Å
641	R	27.5	Very low	31.8	Very low	261 Å²	261	141.1 Å²	141.1	99%	0.985	70%	0.704	S	S	*	*			trans	-70.7	86.3	168.7	-78.6	-173.4	176.4	177.1	-1	110.7
642	I	33.2	Very low	32.1	Very low	145 Å²	145	137.2 Å²	137.2	74%	0.744	69%	0.687	S	S	*	*			trans	-98.5	123.5	152.2	-62.4	179.3	0	0	0	106.4	S640 Q644	S640-I642 VanDerWaalsContact C-N 3.33Å; S640-I642 PolarHBondContact O-N 2.89Å; I642-Q644 PolarHBondContact O-N 3.29Å
643	S	32.4	Very low	32.3	Very low	63 Å²	63	131.1 Å²	131.1	44%	0.441	67%	0.674	S	S	.	*			trans	-68.7	129.9	-173.2	-173.2	0	0	0	0	110.9	G645 D646	S643-G645 PolarHBondContact O-N 2.94Å; S643-G645 VanDerWaalsContact O-N 3.13Å; S643-G645 PolarHBondContact OG-N 3.49Å; S643-D646 VanDerWaalsContact CB-OD2 3.29Å; S643-D646 WeakPolarHBondContact CB-OD2 3.2Å; S643-D646 PolarHBondContact O-N 3.39Å
644	Q	38.2	Very low	32.4	Very low	182 Å²	182	131.6 Å²	131.6	85%	0.85	67%	0.674	S	S	*	*	H	α-helix	trans	-59.3	-20.2	165.7	-73.2	-177.8	-26.6	0	0	111.6	I642 D646 L648	I642-Q644 PolarHBondContact O-N 3.29Å; Q644-D646 VanDerWaalsContact C-N 3.33Å; Q644-D646 PolarHBondContact O-N 3.07Å; Q644-L648 WeakPolarHBondContact O-CB 3.42Å; Q644-L648 PolarHBondContact O-N 3.4Å
645	G	34.4	Very low	32.7	Very low	25 Å²	25	135 Å²	135	26%	0.258	67%	0.672	S	S	.	*	H	α-helix	trans	-63.1	-31.3	170.3	0	0	0	0	0	114	S643 L648 N649	S643-G645 PolarHBondContact O-N 2.94Å; S643-G645 VanDerWaalsContact O-N 3.13Å; S643-G645 PolarHBondContact OG-N 3.49Å; G645-L648 CarbonylContact O-C 3.59Å; G645-L648 PolarHBondContact O-N 3.28Å; G645-N649 VanDerWaalsContact O-CB 3.23Å; G645-N649 WeakPolarHBondContact O-CB 3.3Å; G645-N649 PolarHBondContact O-N 3.13Å; G645-N649 PolarHBondContact O-ND2 3.3Å; G645-N649 PolarHBondContact O-OD1 3.3Å
646	D	36.8	Very low	32.8	Very low	94 Å²	94	137 Å²	137	50%	0.503	67%	0.674	S	S	.	*	H	α-helix	trans	-82.6	-35.6	-170.5	-63.7	-34.6	0	0	0	112.8	S643 Q644 N649 R650	S643-D646 VanDerWaalsContact CB-OD2 3.29Å; S643-D646 WeakPolarHBondContact CB-OD2 3.2Å; S643-D646 PolarHBondContact O-N 3.39Å; Q644-D646 VanDerWaalsContact C-N 3.33Å; Q644-D646 PolarHBondContact O-N 3.07Å; D646-N649 PolarHBondContact O-N 2.98Å; D646-R650 PolarHBondContact O-N 2.89Å
647	Q	34.5	Very low	33.1	Very low	143 Å²	143	134.4 Å²	134.4	67%	0.668	67%	0.667	S	S	*	*	H	α-helix	trans	-65.3	-42.2	166.2	-70.8	-171	-6.7	0	0	110.7	N649 R650 I651	Q647-N649 VanDerWaalsContact C-N 3.29Å; Q647-N649 PolarHBondContact O-N 3.47Å; Q647-R650 PolarHBondContact O-N 3.43Å; Q647-I651 WeakPolarHBondContact O-CG1 3.44Å; Q647-I651 PolarHBondContact O-N 3.4Å
648	L	37.2	Very low	33.1	Very low	94 Å²	94	136.4 Å²	136.4	49%	0.492	67%	0.674	S	S	.	*	H	α-helix	trans	-63.1	-36.4	177	-165.5	70.3	0	0	0	111.7	Q644 G645 I651 K652	Q644-L648 WeakPolarHBondContact O-CB 3.42Å; Q644-L648 PolarHBondContact O-N 3.4Å; G645-L648 CarbonylContact O-C 3.59Å; G645-L648 PolarHBondContact O-N 3.28Å; L648-I651 PolarHBondContact O-N 2.94Å; L648-K652 WeakPolarHBondContact O-CB 3.4Å; L648-K652 VanDerWaalsContact O-CG 3.28Å; L648-K652 WeakPolarHBondContact O-CG 3.37Å; L648-K652 PolarHBondContact O-N 3.39Å
649	N	34.1	Very low	33.2	Very low	86 Å²	86	138.9 Å²	138.9	46%	0.46	67%	0.672	S	S	.	*	H	α-helix	trans	-72.4	-36.4	176.1	-71.9	-19.3	0	0	0	112.8	G645 D646 Q647 K652 A653	G645-N649 VanDerWaalsContact O-CB 3.23Å; G645-N649 WeakPolarHBondContact O-CB 3.3Å; G645-N649 PolarHBondContact O-N 3.13Å; G645-N649 PolarHBondContact O-ND2 3.3Å; G645-N649 PolarHBondContact O-OD1 3.3Å; D646-N649 PolarHBondContact O-N 2.98Å; Q647-N649 VanDerWaalsContact C-N 3.29Å; Q647-N649 PolarHBondContact O-N 3.47Å; N649-K652 PolarHBondContact O-N 2.98Å; N649-A653 VanDerWaalsContact O-CB 3.29Å; N649-A653 WeakPolarHBondContact O-CB 3.46Å; N649-A653 PolarHBondContact O-N 2.81Å
650	R	34.6	Very low	33.2	Very low	196 Å²	196	138 Å²	138	74%	0.74	67%	0.671	S	S	*	*	H	α-helix	trans	-63.4	-38.9	168.6	-83.9	-175	170.5	167.8	-0.5	112.6	D646 Q647 A653 M654	D646-R650 PolarHBondContact O-N 2.89Å; Q647-R650 PolarHBondContact O-N 3.43Å; R650-A653 PolarHBondContact O-N 3.34Å; R650-M654 WeakPolarHBondContact O-CE 3.47Å; R650-M654 PolarHBondContact O-N 3.39Å; R650-M654 VanDerWaalsContact O-N 3.15Å
651	I	38.8	Very low	32.9	Very low	79 Å²	79	144.1 Å²	144.1	41%	0.405	68%	0.677	S	S	.	*	H	α-helix	trans	-72.8	-27.2	176.8	-67	167.9	0	0	0	112.3	Q647 L648	Q647-I651 WeakPolarHBondContact O-CG1 3.44Å; Q647-I651 PolarHBondContact O-N 3.4Å; L648-I651 PolarHBondContact O-N 2.94Å
652	K	34.7	Very low	33.1	Very low	123 Å²	123	140 Å²	140	54%	0.535	67%	0.674	S	S	.	*	H	α-helix	trans	-73.8	-40.6	167.1	-73.5	168	178.8	177.2	0	112.3	L648 N649 M654 R655	L648-K652 WeakPolarHBondContact O-CB 3.4Å; L648-K652 VanDerWaalsContact O-CG 3.28Å; L648-K652 WeakPolarHBondContact O-CG 3.37Å; L648-K652 PolarHBondContact O-N 3.39Å; N649-K652 PolarHBondContact O-N 2.98Å; K652-M654 VanDerWaalsContact C-N 3.28Å; K652-M654 PolarHBondContact O-N 2.87Å; K652-R655 PolarHBondContact O-N 3.49Å
653	A	32.7	Very low	33	Very low	74 Å²	74	138.5 Å²	138.5	61%	0.612	68%	0.677	S	S	*	*	H	α-helix	trans	-63.9	-30.5	179.9	0	0	0	0	0	113.3	N649 R650 R655	N649-A653 VanDerWaalsContact O-CB 3.29Å; N649-A653 WeakPolarHBondContact O-CB 3.46Å; N649-A653 PolarHBondContact O-N 2.81Å; R650-A653 PolarHBondContact O-N 3.34Å; A653-R655 VanDerWaalsContact C-N 3.26Å; A653-R655 PolarHBondContact O-N 3.34Å
654	M	32.5	Very low	32.9	Very low	154 Å²	154	143.6 Å²	143.6	76%	0.759	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	5.4	172.8	-70.3	-177.6	-79.8	0	0	114.1	R650 K652	R650-M654 WeakPolarHBondContact O-CE 3.47Å; R650-M654 PolarHBondContact O-N 3.39Å; R650-M654 VanDerWaalsContact O-N 3.15Å; K652-M654 VanDerWaalsContact C-N 3.28Å; K652-M654 PolarHBondContact O-N 2.87Å
655	R	33.4	Very low	32.6	Very low	173 Å²	173	140.5 Å²	140.5	65%	0.653	70%	0.697	S	S	*	*			trans	-110.9	64.5	170.3	-77.2	-169.4	169.1	102.7	-5.4	112	K652 A653	K652-R655 PolarHBondContact O-N 3.49Å; A653-R655 VanDerWaalsContact C-N 3.26Å; A653-R655 PolarHBondContact O-N 3.34Å
656	R	28.2	Very low	32.5	Very low	232 Å²	232	144.4 Å²	144.4	88%	0.875	72%	0.718	S	S	*	*			trans	-97.2	119.3	156.2	-78.3	-172.3	171.1	-174	-2.7	109
657	P	34.7	Very low	32.2	Very low	107 Å²	107	148.9 Å²	148.9	70%	0.695	73%	0.733	S	S	*	*			trans	-61.1	137.7	170.2	-21.5	33.4	0	0	0	110.8	Q659	P657-Q659 PolarHBondContact O-N 3.45Å
658	M	29	Very low	32.1	Very low	198 Å²	198	152.6 Å²	152.6	98%	0.975	74%	0.741	S	S	*	*	S	Bend	trans	-79.9	68.8	173.1	-171.8	171.4	172	0	0	109.9
659	Q	30.9	Very low	31.9	Very low	169 Å²	169	152.6 Å²	152.6	79%	0.79	75%	0.749	S	S	*	*			trans	-139.3	65.1	-179.2	-72.8	-172.6	-20.7	0	0	111.3	P657	P657-Q659 PolarHBondContact O-N 3.45Å
660	Q	27.6	Very low	32	Very low	188 Å²	188	154.9 Å²	154.9	88%	0.879	76%	0.761	S	S	*	*			trans	-143.9	88.4	166.1	-85.7	-168.2	-36.2	0	0	110.9
661	R	26.3	Very low	32	Very low	241 Å²	241	152.5 Å²	152.5	91%	0.909	76%	0.762	S	S	*	*			trans	177.7	158.9	154.2	-100.3	166.2	-134.3	-134.8	0.6	108.2
662	L	30.9	Very low	31.7	Very low	173 Å²	173	158 Å²	158	91%	0.906	78%	0.782	S	S	*	*	S	Bend	trans	74.2	63.6	179.8	-52.9	176.2	0	0	0	116.9
663	S	30.2	Very low	31.6	Very low	115 Å²	115	156.3 Å²	156.3	80%	0.804	79%	0.786	S	S	*	*			trans	-171	55.9	138.8	53.8	0	0	0	0	112.4
664	D	30.9	Very low	31.7	Very low	170 Å²	170	158.4 Å²	158.4	91%	0.909	79%	0.792	S	S	*	*			trans	-124.4	90.1	173.1	-77.7	-60.9	0	0	0	110.5
665	S	31.6	Very low	31.7	Very low	116 Å²	116	157.8 Å²	157.8	81%	0.811	79%	0.792	S	S	*	*			trans	-150.3	138	158.8	55.6	0	0	0	0	109.9
666	P	33.8	Very low	31.6	Very low	107 Å²	107	154 Å²	154	70%	0.695	79%	0.791	S	S	*	*			trans	-130.9	178.4	-153.4	37.2	-17.7	0	0	0	116.1
667	K	30	Very low	31.8	Very low	188 Å²	188	149.8 Å²	149.8	82%	0.817	79%	0.785	S	S	*	*			trans	79.5	153.5	169.1	-46.8	166.5	-176.2	173.3	0	113.4
668	R	31.8	Very low	31.7	Very low	221 Å²	221	149.4 Å²	149.4	83%	0.834	79%	0.785	S	S	*	*			cis	-167.1	155.3	-2.9	-132.9	179.1	-179.5	-176	-1.9	110.6
669	S	34.4	Very low	31.9	Very low	95 Å²	95	146.4 Å²	146.4	66%	0.664	77%	0.773	S	S	*	*			trans	56	150.1	151.3	45	0	0	0	0	120.6
670	N	34.4	Very low	31.9	Very low	134 Å²	134	144.9 Å²	144.9	72%	0.717	77%	0.77	S	S	*	*			cis	-147.9	136.9	-6.5	-93.3	-16.1	0	0	0	109
671	I	34.7	Very low	32	Very low	146 Å²	146	142.7 Å²	142.7	75%	0.749	76%	0.764	S	S	*	*				65	130.7	92.8	-46	170.9	0	0	0	116.5
672	K	34.2	Very low	32.3	Very low	193 Å²	193	143.2 Å²	143.2	84%	0.839	77%	0.766	S	S	*	*			trans	96.7	140.9	167.2	-59.7	-162.5	-179	-178.5	0	117.9
673	S	32.2	Very low	32.3	Very low	89 Å²	89	140.5 Å²	140.5	62%	0.622	76%	0.757	S	S	*	*			cis	-178.4	146.8	-32.9	43.5	0	0	0	0	112
674	T	34.3	Very low	32.4	Very low	118 Å²	118	143.3 Å²	143.3	72%	0.724	76%	0.755	S	S	*	*			trans	62.1	152.6	151	50.9	0	0	0	0	119.8
675	N	32.7	Very low	32.3	Very low	141 Å²	141	141.7 Å²	141.7	75%	0.754	75%	0.746	S	S	*	*			cis	-162.9	164.2	-12.5	-117.8	1.3	0	0	0	113.6
676	C	31.5	Very low	32.2	Very low	94 Å²	94	141.4 Å²	141.4	64%	0.635	74%	0.743	S	S	*	*			trans	63.1	110	144	-66.4	0	0	0	0	125
677	N	31.4	Very low	32.1	Very low	142 Å²	142	142.2 Å²	142.2	76%	0.759	75%	0.746	S	S	*	*				70	113.2	112.6	-61	0.1	0	0	0	124.9
678	S	34.4	Very low	32.1	Very low	99 Å²	99	138.6 Å²	138.6	69%	0.692	74%	0.744	S	S	*	*				103.1	136.3	111	74	0	0	0	0	124.3
679	N	32.9	Very low	32.2	Very low	136 Å²	136	133.9 Å²	133.9	73%	0.727	75%	0.746	S	S	*	*			trans	80.4	106.7	140.2	-66.9	-4.1	0	0	0	125
680	L	31.1	Very low	32.1	Very low	136 Å²	136	136.8 Å²	136.8	71%	0.712	75%	0.753	S	S	*	*				71.9	121	120.8	-68.8	162.8	0	0	0	123.5
681	N	28.7	Very low	32.2	Very low	143 Å²	143	135.4 Å²	135.4	77%	0.765	75%	0.752	S	S	*	*			trans	58.3	124	137	-62.4	1.2	0	0	0	122.7
682	R	32.5	Very low	32.1	Very low	251 Å²	251	134.2 Å²	134.2	95%	0.947	75%	0.752	S	S	*	*			trans	-156.9	168.3	138.4	-106.8	169.3	-158.6	-131.8	2.7	110.6
683	T	31.3	Very low	31.9	Very low	116 Å²	116	132.1 Å²	132.1	71%	0.712	75%	0.75	S	S	*	*			trans	-144	170	-161.3	44.9	0	0	0	0	113.9
684	F	31.5	Very low	31.8	Very low	174 Å²	174	134.7 Å²	134.7	76%	0.763	76%	0.755	S	S	*	*			trans	82.4	101.7	163.8	-64.4	-68.6	0	0	0	121
685	D	29.3	Very low	31.8	Very low	136 Å²	136	136.6 Å²	136.6	73%	0.727	76%	0.755	S	S	*	*				68.8	127	111.3	-64.9	15.4	0	0	0	125.6
686	C	28.6	Very low	31.8	Very low	110 Å²	110	135.8 Å²	135.8	74%	0.743	75%	0.751	S	S	*	*				107.7	138.9	125.4	-92.5	0	0	0	0	124.1
687	T	32.1	Very low	31.8	Very low	125 Å²	125	137.6 Å²	137.6	77%	0.767	75%	0.753	S	S	*	*			trans	74.9	91.3	152.7	46.7	0	0	0	0	123.2
688	S	29.7	Very low	31.7	Very low	111 Å²	111	141.6 Å²	141.6	78%	0.776	76%	0.759	S	S	*	*				51.8	114.1	122.5	63.1	0	0	0	0	123.8
689	S	35.4	Very low	31.5	Very low	123 Å²	123	147.5 Å²	147.5	86%	0.86	77%	0.767	S	S	*	*				-166.7	161.9	123.5	59	0	0	0	0	113.1
690	N	31.2	Very low	31.4	Very low	155 Å²	155	145.6 Å²	145.6	83%	0.829	78%	0.779	S	S	*	*			trans	-80.5	172.9	176.1	-73.3	-30.8	0	0	0	112.6
691	P	37	Very low	31.3	Very low	106 Å²	106	142.2 Å²	142.2	69%	0.688	77%	0.767	S	S	*	*			cis	-133.5	-156.7	-39.9	39.5	-21.4	0	0	0	111.5
692	T	31.5	Very low	31.4	Very low	121 Å²	121	141.4 Å²	141.4	74%	0.742	77%	0.767	S	S	*	*			trans	70.4	127.4	164.1	34.8	0	0	0	0	120.1
693	D	30.1	Very low	31.3	Very low	149 Å²	149	134 Å²	134	80%	0.797	75%	0.753	S	S	*	*			trans	70	156	152.1	-75.6	-34	0	0	0	123.4
694	I	30.7	Very low	31.1	Very low	143 Å²	143	134.1 Å²	134.1	73%	0.733	76%	0.758	S	S	*	*			trans	76	104.5	159.8	-73.3	156.3	0	0	0	118.9
695	H	34	Very low	31.1	Very low	158 Å²	158	130.8 Å²	130.8	73%	0.731	75%	0.752	S	S	*	*			trans	67.1	150.9	145.3	-72.9	-113.2	0	0	0	118.7
696	D	34	Very low	31	Very low	124 Å²	124	127.6 Å²	127.6	66%	0.663	74%	0.74	S	S	*	*			cis	-152.8	-179.2	-0.9	-139.5	-39.3	0	0	0	113.2
697	L	31.1	Very low	31.2	Very low	131 Å²	131	127.4 Å²	127.4	69%	0.686	74%	0.74	S	S	*	*	S	Bend	trans	62.6	76.2	154.7	-68.7	168.9	0	0	0	119
698	Y	28.4	Very low	31.1	Very low	226 Å²	226	128.4 Å²	128.4	89%	0.886	74%	0.739	S	S	*	*				165.7	91.6	104.2	-102.7	-79	0	0	0	111.5
699	R	30	Very low	31.2	Very low	224 Å²	224	129.6 Å²	129.6	85%	0.845	74%	0.742	S	S	*	*			trans	-140.5	90.4	178.4	-156.2	-176.2	-146.6	-111.4	13.7	112.8	S701	R699-S701 PolarHBondContact O-N 2.77Å; R699-S701 VanDerWaalsContact O-N 3.14Å
700	G	30.5	Very low	31	Very low	95 Å²	95	130.1 Å²	130.1	98%	0.979	74%	0.735	S	S	*	*			trans	-83	74.7	174.3	0	0	0	0	0	112.9
701	S	29.8	Very low	31.1	Very low	66 Å²	66	130.4 Å²	130.4	46%	0.462	74%	0.735	S	S	.	*			trans	-114.3	-177.6	169.6	49.5	0	0	0	0	110.7	R699	R699-S701 PolarHBondContact O-N 2.77Å; R699-S701 VanDerWaalsContact O-N 3.14Å
702	V	31.1	Very low	30.9	Very low	126 Å²	126	132.7 Å²	132.7	76%	0.764	74%	0.736	S	S	*	*			trans	74.3	125.3	177.7	-168.4	0	0	0	0	112.5
703	S	30.5	Very low	31	Very low	94 Å²	94	132.9 Å²	132.9	66%	0.657	73%	0.733	S	S	*	*			cis	90.9	95.8	16.9	88.7	0	0	0	0	117.8
704	C	26.7	Very low	31.1	Very low	120 Å²	120	133.2 Å²	133.2	81%	0.811	73%	0.73	S	S	*	*			trans	67	164.4	151.4	-60.5	0	0	0	0	120.3
705	T	30.7	Very low	31.5	Very low	104 Å²	104	133.2 Å²	133.2	64%	0.638	73%	0.73	S	S	*	*			trans	60.8	98.6	165	46.7	0	0	0	0	119.8
706	S	28.1	Very low	31.6	Very low	69 Å²	69	131.2 Å²	131.2	48%	0.483	73%	0.731	S	S	.	*				38.1	127.7	121	-43.4	0	0	0	0	121.9	Y1197	S706-Y1197 VanDerWaalsContact CB-CG 3.48Å
707	S	31.7	Very low	31.6	Very low	105 Å²	105	129 Å²	129	73%	0.734	74%	0.738	S	S	*	*				-169.9	171.4	117.9	-86	0	0	0	0	112.8
708	I	30.2	Very low	31.7	Very low	146 Å²	146	128.6 Å²	128.6	75%	0.749	75%	0.746	S	S	*	*			trans	-106.3	142.2	-163.3	-67.7	162.5	0	0	0	112.3
709	T	33.1	Very low	31.6	Very low	136 Å²	136	123.9 Å²	123.9	83%	0.834	74%	0.741	S	S	*	*			trans	169.7	153.3	137.3	27.9	0	0	0	0	107.8
710	N	30	Very low	31.6	Very low	134 Å²	134	120.9 Å²	120.9	72%	0.717	74%	0.741	S	S	*	*			cis	-175.8	-175.4	-33.8	-147.8	2.8	0	0	0	103.7
711	I	33.9	Very low	31.5	Very low	161 Å²	161	121.5 Å²	121.5	83%	0.826	73%	0.726	S	S	*	*			trans	75.8	133.9	-176.7	-47.4	171.5	0	0	0	113.4
712	Q	31.6	Very low	31.4	Very low	154 Å²	154	128.5 Å²	128.5	72%	0.72	74%	0.744	S	S	*	*				171.3	108.1	-54.1	169.2	172.7	-19.1	0	0	108.6
713	D	34.3	Very low	31.3	Very low	126 Å²	126	127.6 Å²	127.6	67%	0.674	74%	0.743	S	S	*	*			trans	-177.3	115	146.8	-93.9	-26.5	0	0	0	108.2
714	Q	33.6	Very low	31.2	Very low	156 Å²	156	128.1 Å²	128.1	73%	0.729	75%	0.746	S	S	*	*				67.4	132.6	92.3	-67.6	-166.8	85.6	0	0	114.4
715	L	38.2	Very low	31.4	Very low	143 Å²	143	127.9 Å²	127.9	75%	0.749	75%	0.746	S	S	*	*			cis	-165.9	-179.4	-9.3	-94.4	171.3	0	0	0	105.8
716	P	35.6	Very low	31.8	Very low	115 Å²	115	127.9 Å²	127.9	75%	0.747	75%	0.748	S	S	*	*			cis	-131.7	172.6	-49.6	38.7	-23.7	0	0	0	114
717	G	33.8	Very low	32	Very low	79 Å²	79	128.9 Å²	128.9	81%	0.814	75%	0.748	S	S	*	*			trans	87.9	135.1	153.6	0	0	0	0	0	117.3
718	S	33.4	Very low	32.2	Very low	122 Å²	122	126.4 Å²	126.4	85%	0.853	73%	0.725	S	S	*	*			cis	-146.3	145.4	-3.8	57	0	0	0	0	111.6
719	T	26.2	Very low	32.4	Very low	127 Å²	127	124.1 Å²	124.1	78%	0.779	71%	0.707	S	S	*	*			trans	-132.6	151.7	178.9	-58.5	0	0	0	0	108.5
720	L	31.4	Very low	32.4	Very low	161 Å²	161	123.4 Å²	123.4	84%	0.843	70%	0.698	S	S	*	*			trans	179.3	105.6	155.7	-90.8	155.4	0	0	0	105.5
721	T	28.3	Very low	32.7	Very low	107 Å²	107	122.8 Å²	122.8	66%	0.656	70%	0.695	S	S	*	*				74.4	125.1	71.5	62.9	0	0	0	0	116.9
722	Y	27.4	Very low	32.6	Very low	214 Å²	214	121.6 Å²	121.6	84%	0.839	69%	0.689	S	S	*	*			trans	0.3	133.2	149.5	-81.7	-107	0	0	0	119.6
723	S	27.5	Very low	32.6	Very low	106 Å²	106	120.4 Å²	120.4	74%	0.741	69%	0.688	S	S	*	*				-177.3	142.5	103.9	59	0	0	0	0	115
724	S	30.1	Very low	32.5	Very low	105 Å²	105	118.4 Å²	118.4	73%	0.734	68%	0.683	S	S	*	*			trans	30.1	115.7	150.5	53	0	0	0	0	123.4
725	S	30.2	Very low	32.3	Very low	115 Å²	115	117.3 Å²	117.3	80%	0.804	68%	0.682	S	S	*	*				3.1	161.4	127.9	-51.6	0	0	0	0	122
726	P	39.3	Very low	31.9	Very low	104 Å²	104	117 Å²	117	68%	0.675	67%	0.671	S	S	*	*			cis	-143.5	-168.4	-31	39.1	-19.3	0	0	0	114.8
727	D	32.7	Very low	31.6	Very low	91 Å²	91	114.7 Å²	114.7	49%	0.487	66%	0.658	S	S	.	*			trans	104.8	131.4	137.8	-100.1	-28	0	0	0	124	H1172	D727-H1172 IonicContact OD2-ND1 1.86Å
728	H	35.8	Very low	31.4	Very low	53 Å²	53	116.7 Å²	116.7	25%	0.245	65%	0.65	C	S	.	*			trans	75.4	97.8	144.7	-86.2	59.2	0	0	0	124.1	H1172 R1174	H728-H1172 PolarHBondContact CE1-O 3.42Å; H728-R1174 PolarHBondContact CD2-NE 2.89Å; H728-R1174 WeakPolarHBondContact NE2-CG 3.41Å
729	Y	33.4	Very low	31.3	Very low	97 Å²	97	115.9 Å²	115.9	38%	0.38	64%	0.64	S	S	.	*				116.5	139.4	98.5	-103	-145.5	0	0	0	121.7	F1173	Y729-F1173 HydrophobicContact CE1-CE1 4.09Å; Y729-F1173 HydrophobicContact CE1-CZ 4.11Å; Y729-F1173 WeakPolarHBondContact OH-CD2 3.3Å; Y729-F1173 WeakPolarHBondContact OH-CE2 3.07Å; Y729-F1173 WeakPolarHBondContact OH-CZ 3.29Å
730	N	34.3	Very low	31.5	Very low	122 Å²	122	119.9 Å²	119.9	65%	0.652	64%	0.641	S	S	*	*			trans	73.6	145.5	144.7	-77.4	3	0	0	0	120.8
731	N	35.1	Very low	31.3	Very low	120 Å²	120	117.9 Å²	117.9	64%	0.642	63%	0.631	S	S	*	*			cis	-168.6	-179.6	-24.7	-155.9	-4.7	0	0	0	108.6
732	I	33.1	Very low	31.4	Very low	136 Å²	136	123 Å²	123	70%	0.697	64%	0.639	S	S	*	*			trans	69.4	132.5	150.1	-75.7	160.3	0	0	0	116.2
733	N	31.7	Very low	31.5	Very low	130 Å²	130	121.5 Å²	121.5	70%	0.695	64%	0.636	S	S	*	*			cis	-166.3	157.7	-18.5	-134.3	1.6	0	0	0	110.6
734	S	31.3	Very low	31.5	Very low	83 Å²	83	120.7 Å²	120.7	58%	0.58	63%	0.63	S	S	*	*			trans	33.1	152.6	131.1	79.7	0	0	0	0	122.2
735	L	29.8	Very low	31.4	Very low	133 Å²	133	123.1 Å²	123.1	70%	0.696	63%	0.634	S	S	*	*			cis	-151.1	155	21.4	-74.6	167.6	0	0	0	110.2
736	Y	29.7	Very low	31.2	Very low	136 Å²	136	123.5 Å²	123.5	53%	0.533	63%	0.628	S	S	.	*				44.7	161.3	128.8	-69.2	-132.5	0	0	0	121.4	D535	D535-Y736 HydrophobicContact CB-CE1 3.96Å; D535-Y736 HydrophobicContact CB-CE2 4.29Å; D535-Y736 WeakPolarHBondContact CB-OH 3.12Å
737	S	30.1	Very low	30.6	Very low	68 Å²	68	125.1 Å²	125.1	48%	0.476	63%	0.629	S	S	.	*			cis	-176.5	160.6	-27.2	64.9	0	0	0	0	107.3
738	N	29.6	Very low	30.5	Very low	120 Å²	120	125.5 Å²	125.5	64%	0.642	64%	0.639	S	S	*	*			trans	64.9	153.2	152.6	-65.4	-37.1	0	0	0	117.1
739	T	29.9	Very low	30.3	Very low	105 Å²	105	128.3 Å²	128.3	64%	0.644	66%	0.662	S	S	*	*			cis	-154.4	165	-11.4	6.7	0	0	0	0	111.4
740	R	29.9	Very low	29.9	Very low	211 Å²	211	129.9 Å²	129.9	80%	0.796	68%	0.676	S	S	*	*			trans	64.9	110.7	143.4	-74.6	169.3	178.7	-174.6	0.8	120
741	N	28.6	Very low	29.6	Very low	119 Å²	119	134 Å²	134	64%	0.636	68%	0.683	S	S	*	*				75.1	126.1	120.7	-78.9	-36.8	0	0	0	121.3
742	R	29.1	Very low	29.2	Very low	215 Å²	215	134.4 Å²	134.4	81%	0.811	69%	0.69	S	S	*	*			trans	66.6	127.4	131.5	-64.9	173.1	-178.6	-164.1	-4	116.3
743	K	29.8	Very low	29	Very low	183 Å²	183	131 Å²	131	80%	0.796	69%	0.688	S	S	*	*			cis	-150.4	134.4	22.4	-116.3	164	179.7	-178.9	0	111.8
744	S	27.8	Very low	28.8	Very low	88 Å²	88	131.7 Å²	131.7	62%	0.615	69%	0.692	S	S	*	*			trans	13.9	125.8	139.9	59	0	0	0	0	120.3
745	L	28.3	Very low	28.6	Very low	156 Å²	156	133 Å²	133	82%	0.817	69%	0.693	S	S	*	*			trans	70	142.6	140.7	-57.6	167.6	0	0	0	116.1
746	N	26.4	Very low	28.5	Very low	124 Å²	124	137.1 Å²	137.1	66%	0.663	70%	0.701	S	S	*	*			cis	-160	177	10.4	-141.1	-15.3	0	0	0	111.7
747	I	26.5	Very low	28.3	Very low	137 Å²	137	134.7 Å²	134.7	70%	0.703	70%	0.704	S	S	*	*			trans	68.5	96.6	153.9	-65.1	158.1	0	0	0	116.2
748	S	29.3	Very low	28.2	Very low	100 Å²	100	142.4 Å²	142.4	70%	0.699	72%	0.722	S	S	*	*				-14.3	-173	125.5	62.3	0	0	0	0	118.9
749	P	32	Very low	28.2	Very low	111 Å²	111	141.8 Å²	141.8	72%	0.721	72%	0.723	S	S	*	*			cis	-120.4	-108.1	-9.1	37	-18.7	0	0	0	111
750	I	25.8	Very low	28.4	Very low	131 Å²	131	144.8 Å²	144.8	67%	0.672	73%	0.73	S	S	*	*			trans	85.8	103.3	164.7	-72	161	0	0	0	117.8
751	Y	26.8	Very low	28.8	Very low	208 Å²	208	140 Å²	140	82%	0.816	73%	0.726	S	S	*	*			trans	71.9	160.7	139.4	-70	-159	0	0	0	117.3
752	T	27.7	Very low	29.1	Very low	128 Å²	128	139.7 Å²	139.7	79%	0.785	72%	0.724	S	S	*	*			cis	-132.7	-177	0.4	-22.9	0	0	0	0	110.6
753	G	28.1	Very low	29.3	Very low	64 Å²	64	132.7 Å²	132.7	66%	0.66	71%	0.712	S	S	*	*			trans	-64.6	-161.5	164.7	0	0	0	0	0	113
754	N	27.3	Very low	29.4	Very low	146 Å²	146	133 Å²	133	78%	0.781	71%	0.71	S	S	*	*			cis	-164.4	-167.8	18.5	-148.4	0.5	0	0	0	108.7
755	N	27.6	Very low	29.7	Very low	111 Å²	111	133.3 Å²	133.3	59%	0.594	71%	0.708	S	S	*	*			trans	60.9	108.2	142.3	-74.6	-1.2	0	0	0	121
756	Y	27.3	Very low	29.8	Very low	218 Å²	218	134.4 Å²	134.4	86%	0.855	71%	0.707	S	S	*	*			trans	59.9	152.9	140.5	-62.4	-91.3	0	0	0	119.8
757	S	26.4	Very low	30	Very low	86 Å²	86	133.7 Å²	133.7	60%	0.601	71%	0.71	S	S	*	*			cis	-178.6	163.3	-23.7	59.2	0	0	0	0	109.3
758	R	27.6	Very low	30.1	Very low	229 Å²	229	133.2 Å²	133.2	86%	0.864	71%	0.714	S	S	*	*			trans	62.7	156.8	164.9	-77.8	176.8	150.2	160.7	-8.9	115
759	T	30.7	Very low	30.5	Very low	107 Å²	107	134 Å²	134	66%	0.656	72%	0.716	S	S	*	*			cis	-148.7	141.9	-10.4	10.8	0	0	0	0	105.6
760	Q	32.3	Very low	30.5	Very low	169 Å²	169	134 Å²	134	79%	0.79	72%	0.719	S	S	*	*				54.3	153.8	78.7	-66.8	-115.9	-16.8	0	0	115.1
761	P	38.7	Very low	30.6	Very low	109 Å²	109	133.4 Å²	133.4	71%	0.708	72%	0.721	S	S	*	*			cis	-101.1	-146.8	-9.9	40	-28.8	0	0	0	109.7
762	D	34.9	Very low	30.7	Very low	113 Å²	113	130.8 Å²	130.8	60%	0.604	72%	0.72	S	S	*	*			cis	-148.2	149.3	-16.6	-134	15.3	0	0	0	106.2	Y764	D762-Y764 VanDerWaalsContact OD2-CE2 3.32Å; D762-Y764 WeakPolarHBondContact OD2-CE2 3.47Å; D762-Y764 PolarHBondContact OD2-OH 3.15Å
763	A	32.9	Very low	30.8	Very low	68 Å²	68	130.1 Å²	130.1	56%	0.562	72%	0.716	S	S	*	*				67.4	144	81.7	0	0	0	0	0	115.8
764	Y	33.8	Very low	31	Very low	190 Å²	190	132.6 Å²	132.6	75%	0.745	72%	0.723	S	S	*	*			cis	-134.4	-171	21.9	-79.7	-104.6	0	0	0	111.8	D762	D762-Y764 VanDerWaalsContact OD2-CE2 3.32Å; D762-Y764 WeakPolarHBondContact OD2-CE2 3.47Å; D762-Y764 PolarHBondContact OD2-OH 3.15Å
765	T	33.1	Very low	31.1	Very low	94 Å²	94	130.1 Å²	130.1	58%	0.577	71%	0.714	S	S	*	*				-156.6	164.3	-67.9	42	0	0	0	0	107
766	K	29.8	Very low	31.2	Very low	180 Å²	180	127.7 Å²	127.7	78%	0.783	70%	0.704	S	S	*	*			cis	-162.2	-163.4	-5.4	-109.4	162	-172.6	171.1	0	106.3
767	C	30.5	Very low	31.5	Very low	109 Å²	109	121.4 Å²	121.4	74%	0.736	69%	0.688	S	S	*	*			trans	67.3	104.6	161.3	-56.2	0	0	0	0	117.2
768	T	30.5	Very low	31.8	Very low	127 Å²	127	119.7 Å²	119.7	78%	0.779	68%	0.675	S	S	*	*			cis	60.4	157	9.9	77.3	0	0	0	0	115.9
769	P	37.5	Very low	32	Very low	116 Å²	116	113.8 Å²	113.8	75%	0.753	67%	0.668	S	S	*	*				-138.2	170.2	-55.7	39.6	-25.9	0	0	0	112.8
770	S	31	Very low	32	Very low	111 Å²	111	116.8 Å²	116.8	78%	0.776	68%	0.675	S	S	*	*			trans	-174.8	154.1	152.7	45.5	0	0	0	0	112.7
771	T	28.3	Very low	31.8	Very low	118 Å²	118	117.9 Å²	117.9	72%	0.724	68%	0.677	S	S	*	*			cis	-164.6	162.3	-47.1	-22.1	0	0	0	0	106
772	I	28.3	Very low	31.5	Very low	154 Å²	154	117.9 Å²	117.9	79%	0.79	68%	0.68	S	S	*	*			trans	68.6	140.9	155.5	-63.8	158.5	0	0	0	117.4
773	V	29.8	Very low	31	Very low	114 Å²	114	122.4 Å²	122.4	69%	0.691	69%	0.689	S	S	*	*			cis	-157.4	143.4	-31.4	136.1	0	0	0	0	105.7	P775	V773-P775 HydrophobicContact CG1-CG 4.33Å
774	S	32.2	Very low	30.8	Very low	116 Å²	116	129 Å²	129	81%	0.811	70%	0.7	S	S	*	*			trans	-97.3	135	164.9	-52.5	0	0	0	0	110.6
775	P	31	Very low	30.6	Very low	93 Å²	93	124.7 Å²	124.7	60%	0.604	70%	0.698	S	S	*	*			trans	-139.3	-179.4	159	40.3	-25	0	0	0	114.9	V773	V773-P775 HydrophobicContact CG1-CG 4.33Å
776	T	28.4	Very low	30.2	Very low	61 Å²	61	126.3 Å²	126.3	37%	0.374	71%	0.708	S	S	.	*			trans	-159.7	126.8	-134	49.1	0	0	0	0	112.2	K1011	T776-K1011 VanDerWaalsContact C-CB 3.46Å; T776-K1011 VanDerWaalsContact CB-O 3.3Å; T776-K1011 WeakPolarHBondContact CB-O 3.34Å; T776-K1011 WeakPolarHBondContact CG2-O 3.31Å; T776-K1011 WeakPolarHBondContact O-CD 3.36Å; T776-K1011 WeakPolarHBondContact O-CE 3.45Å
777	V	33.5	Very low	30.2	Very low	85 Å²	85	129.6 Å²	129.6	52%	0.515	72%	0.716	S	S	.	*	B	Isolated β-bridge	trans	-128.3	145.7	171.8	170.5	0	0	0	0	112.2	T1012	V777-T1012 PolarHBondContact N-O 2.99Å; V777-T1012 PolarHBondContact O-N 3.26Å
778	P	33.6	Very low	30	Very low	50 Å²	50	133.3 Å²	133.3	33%	0.325	72%	0.722	S	S	.	*			trans	-117.6	168	-167.2	39	-27.5	0	0	0	117	K1011	P778-K1011 HydrophobicContact CB-CB 3.8Å; P778-K1011 HydrophobicContact CB-CG 4.03Å; P778-K1011 HydrophobicContact CG-CB 4.19Å; P778-K1011 HydrophobicContact CG-CG 4.13Å
779	S	30.8	Very low	30	Very low	105 Å²	105	132.6 Å²	132.6	73%	0.734	72%	0.722	S	S	*	*			trans	-41.8	134.8	156.7	52.8	0	0	0	0	117
780	H	32.4	Very low	29.6	Very low	170 Å²	170	131.9 Å²	131.9	79%	0.787	72%	0.72	S	S	*	*			trans	-129.4	149.1	143.7	-73.1	-104.7	0	0	0	107
781	F	27.7	Very low	29.7	Very low	192 Å²	192	133.2 Å²	133.2	84%	0.842	72%	0.719	S	S	*	*			cis	89.5	54.2	25.1	-119.7	-57	0	0	0	117.4
782	S	31.5	Very low	29.8	Very low	110 Å²	110	137.7 Å²	137.7	77%	0.769	72%	0.722	S	S	*	*			trans	-147.3	131.2	150.8	49	0	0	0	0	107.5
783	R	25.5	Very low	30.1	Very low	207 Å²	207	137 Å²	137	78%	0.781	72%	0.72	S	S	*	*				71.7	133.1	51.9	-75.8	-161.9	-179.1	-176.2	3.2	114.8
784	Y	26.9	Very low	30.4	Very low	207 Å²	207	138.2 Å²	138.2	81%	0.812	72%	0.722	S	S	*	*			trans	88.4	141.2	157.6	-81.6	-69.7	0	0	0	123.1
785	S	29.7	Very low	30.3	Very low	99 Å²	99	138.1 Å²	138.1	69%	0.692	72%	0.722	S	S	*	*			trans	77.1	92	150.4	-128.3	0	0	0	0	120.7
786	T	25	Very low	30.4	Very low	129 Å²	129	137.1 Å²	137.1	79%	0.791	73%	0.729	S	S	*	*				-27.8	135.7	129.8	44.8	0	0	0	0	115.3
787	R	30.2	Very low	30.3	Very low	249 Å²	249	139.9 Å²	139.9	94%	0.94	75%	0.75	S	S	*	*			trans	-149.8	154.4	134.7	-117.6	176.2	-173.1	-145.4	-0.4	111.8
788	Q	26.3	Very low	30.2	Very low	186 Å²	186	143.1 Å²	143.1	87%	0.869	76%	0.763	S	S	*	*			trans	-98.7	141.9	-176.2	-62.5	162.5	-27.2	0	0	110.6
789	S	31.5	Very low	29.8	Very low	112 Å²	112	146.5 Å²	146.5	78%	0.783	78%	0.783	S	S	*	*			trans	-169.7	127.7	137.3	32.8	0	0	0	0	107.7
790	S	27.9	Very low	29.8	Very low	101 Å²	101	147.3 Å²	147.3	71%	0.706	78%	0.783	S	S	*	*			cis	85	80.1	32.6	84.4	0	0	0	0	114.8
791	N	33.2	Very low	29.6	Very low	140 Å²	140	148.3 Å²	148.3	75%	0.749	78%	0.78	S	S	*	*			trans	-161.4	122	134.4	-91.5	-29.8	0	0	0	108
792	R	31.6	Very low	29.8	Very low	212 Å²	212	145.7 Å²	145.7	80%	0.8	78%	0.78	S	S	*	*				78.6	98	66.6	-80.2	-166.5	-174	-179.7	1.1	112.7
793	N	34.7	Very low	29.7	Very low	138 Å²	138	149.4 Å²	149.4	74%	0.738	78%	0.777	S	S	*	*				172.9	163.9	91	-90.1	-20.3	0	0	0	113.8
794	N	34.3	Very low	29.8	Very low	140 Å²	140	146.5 Å²	146.5	75%	0.749	78%	0.777	S	S	*	*			trans	55	116	166.3	-59	-8.2	0	0	0	118
795	S	30.7	Very low	30.1	Very low	114 Å²	114	147.9 Å²	147.9	80%	0.797	78%	0.78	S	S	*	*			cis	71.8	131.4	44.9	92.4	0	0	0	0	113.4
796	G	32.5	Very low	30	Very low	73 Å²	73	150.9 Å²	150.9	75%	0.753	79%	0.787	S	S	*	*			trans	154	47.9	-171.9	0	0	0	0	0	115.9	I798	G796-I798 PolarHBondContact O-N 3.15Å
797	S	26.7	Very low	30.4	Very low	118 Å²	118	148 Å²	148	83%	0.825	78%	0.783	S	S	*	*			trans	-81.1	95.2	175.5	56.7	0	0	0	0	111.8
798	I	31.3	Very low	30.3	Very low	153 Å²	153	142.2 Å²	142.2	79%	0.785	78%	0.775	S	S	*	*			trans	-94.8	111	173.9	-65.5	-176.9	0	0	0	110.7	G796 V800	G796-I798 PolarHBondContact O-N 3.15Å; I798-V800 HydrophobicContact CG2-CG2 4.07Å
799	T	26.6	Very low	30.7	Very low	121 Å²	121	143 Å²	143	74%	0.742	78%	0.775	S	S	*	*			trans	-89.1	103.9	171.3	-57.4	0	0	0	0	109.2	R801	T799-R801 VanDerWaalsContact C-N 3.34Å; T799-R801 PolarHBondContact O-N 3.24Å
800	V	30.6	Very low	30.7	Very low	122 Å²	122	146.7 Å²	146.7	74%	0.739	77%	0.772	S	S	*	*			trans	-77.6	86.5	173.7	-175.8	0	0	0	0	109.9	I798 V802	I798-V800 HydrophobicContact CG2-CG2 4.07Å; V800-V802 HydrophobicContact CG1-CG2 4.1Å
801	R	26.5	Very low	30.8	Very low	192 Å²	192	148.7 Å²	148.7	73%	0.725	78%	0.781	S	S	*	*			trans	-75	113.9	154.3	-89.8	-178.2	168.9	140.7	-5.3	108.2	T799	T799-R801 VanDerWaalsContact C-N 3.34Å; T799-R801 PolarHBondContact O-N 3.24Å
802	V	32.6	Very low	30.7	Very low	136 Å²	136	149.8 Å²	149.8	82%	0.824	78%	0.779	S	S	*	*			trans	-94.3	111.7	150.3	-179	0	0	0	0	107.2	V800	V800-V802 HydrophobicContact CG1-CG2 4.1Å
803	R	30.1	Very low	30.7	Very low	189 Å²	189	144.9 Å²	144.9	71%	0.713	77%	0.774	S	S	*	*			trans	-87.1	155.3	171.9	-90.7	175.8	162.9	153	-11.1	110.2
804	N	28	Very low	30.6	Very low	145 Å²	145	144.3 Å²	144.3	78%	0.775	78%	0.776	S	S	*	*			trans	-0.6	120.5	158.3	-55.8	8.3	0	0	0	117.9
805	R	32.2	Very low	30.5	Very low	236 Å²	236	142.5 Å²	142.5	89%	0.891	77%	0.77	S	S	*	*				-152.4	117.4	119.7	-95.6	151.4	-164.3	-157.8	3.3	105.4
806	I	28.4	Very low	30.5	Very low	163 Å²	163	143.3 Å²	143.3	84%	0.836	77%	0.766	S	S	*	*				47.2	94.9	81.8	-56.4	179.1	0	0	0	109.3
807	G	32.5	Very low	30.5	Very low	69 Å²	69	145.9 Å²	145.9	71%	0.711	76%	0.762	S	S	*	*			trans	-152.5	45.5	-170.7	0	0	0	0	0	112.4	K809	G807-K809 VanDerWaalsContact C-N 3.3Å; G807-K809 PolarHBondContact O-N 3.08Å
808	V	28.3	Very low	30.8	Very low	127 Å²	127	146.2 Å²	146.2	77%	0.77	76%	0.755	S	S	*	*			trans	-70.3	87.5	175	-177.6	0	0	0	0	109.6	R810	V808-R810 HydrophobicContact CG1-CG 4.44Å
809	K	35.4	Very low	30.9	Very low	201 Å²	201	144.6 Å²	144.6	87%	0.874	75%	0.748	S	S	*	*			trans	-91.9	93	150	-68.4	-171	176.3	-173.4	0	105.6	G807	G807-K809 VanDerWaalsContact C-N 3.3Å; G807-K809 PolarHBondContact O-N 3.08Å
810	R	31.1	Very low	31.3	Very low	190 Å²	190	144.7 Å²	144.7	72%	0.717	74%	0.744	S	S	*	*				41.2	77.2	74.9	-83.6	-179.7	166.6	168	-3.3	110.3	V808 K812	V808-R810 HydrophobicContact CG1-CG 4.44Å; R810-K812 HydrophobicContact CB-CB 4.47Å; R810-K812 PolarHBondContact O-N 2.92Å
811	T	29.6	Very low	31.5	Very low	144 Å²	144	144.8 Å²	144.8	88%	0.883	74%	0.74	S	S	*	*			trans	-52.1	93.8	133.3	45.1	0	0	0	0	107
812	K	32	Very low	31.9	Very low	162 Å²	162	141.3 Å²	141.3	70%	0.704	74%	0.736	S	S	*	*			trans	-98.9	125.5	178.3	-140.6	-165.2	176.5	-150	0	107.2	R810	R810-K812 HydrophobicContact CB-CB 4.47Å; R810-K812 PolarHBondContact O-N 2.92Å
813	P	31	Very low	31.9	Very low	109 Å²	109	141.1 Å²	141.1	71%	0.708	73%	0.73	S	S	*	*			trans	-77.5	143.3	179.9	31.9	-34.4	0	0	0	110.7
814	T	32.6	Very low	32.1	Very low	127 Å²	127	138.4 Å²	138.4	78%	0.779	73%	0.73	S	S	*	*			trans	-142.4	95.6	150.3	41.8	0	0	0	0	104.6
815	T	31.1	Very low	32.3	Very low	101 Å²	101	137.4 Å²	137.4	62%	0.62	72%	0.724	S	S	*	*				84.6	119.6	75.7	54	0	0	0	0	111.5
816	D	30.8	Very low	32.2	Very low	132 Å²	132	132.7 Å²	132.7	71%	0.706	72%	0.717	S	S	*	*			trans	82.5	115.9	136.1	-50.1	-4.3	0	0	0	118.5
817	D	32.7	Very low	32.5	Very low	127 Å²	127	132.2 Å²	132.2	68%	0.679	72%	0.716	S	S	*	*				91.8	90.2	122.8	-71.3	21.7	0	0	0	120.6
818	N	33.4	Very low	32.5	Very low	124 Å²	124	135.6 Å²	135.6	66%	0.663	72%	0.717	S	S	*	*				100.8	146.2	104.4	-82.4	-34.7	0	0	0	119.5
819	N	33.7	Very low	32.7	Very low	120 Å²	120	136 Å²	136	64%	0.642	72%	0.72	S	S	*	*			trans	63.3	94	150.2	-68.7	-22	0	0	0	118.8
820	N	34.4	Very low	32.8	Very low	123 Å²	123	132.6 Å²	132.6	66%	0.658	71%	0.71	S	S	*	*				98.7	138.7	104.9	-74.8	-18.1	0	0	0	119.6
821	N	34.7	Very low	33	Very low	123 Å²	123	128.9 Å²	128.9	66%	0.658	71%	0.708	S	S	*	*			trans	71.6	112.3	140.2	-67.8	-8.2	0	0	0	119.3
822	N	34.7	Very low	33.4	Very low	119 Å²	119	129.6 Å²	129.6	64%	0.636	70%	0.702	S	S	*	*				76.2	97.3	121.6	-60.6	-14.2	0	0	0	118.3
823	N	33.3	Very low	33.6	Very low	133 Å²	133	127.4 Å²	127.4	71%	0.711	70%	0.698	S	S	*	*				79.6	155.7	114.1	-61.8	-17.4	0	0	0	119.4
824	N	34	Very low	33.8	Very low	131 Å²	131	128.2 Å²	128.2	70%	0.701	70%	0.695	S	S	*	*			trans	74.1	101.9	153	-65.2	-8.2	0	0	0	118.4
825	N	32.9	Very low	34	Very low	124 Å²	124	127.6 Å²	127.6	66%	0.663	69%	0.691	S	S	*	*				87.2	105.1	124.2	-58.2	-14.8	0	0	0	118.7
826	N	30.5	Very low	34.2	Very low	137 Å²	137	129.5 Å²	129.5	73%	0.733	69%	0.692	S	S	*	*				47.5	106.5	114.4	-51.2	-14.6	0	0	0	117.9
827	N	33.1	Very low	34.4	Very low	154 Å²	154	129.8 Å²	129.8	82%	0.824	69%	0.687	S	S	*	*				-147.1	121.4	129.6	-88.7	-48.6	0	0	0	107.8
828	L	33.8	Very low	34.2	Very low	140 Å²	140	133 Å²	133	73%	0.733	70%	0.698	S	S	*	*				89.2	105	68.1	-121.1	97.4	0	0	0	112.7
829	T	32.6	Very low	34.2	Very low	135 Å²	135	135.1 Å²	135.1	83%	0.828	70%	0.702	S	S	*	*			trans	174.9	140.8	144.3	27	0	0	0	0	108.4
830	I	36	Very low	34.2	Very low	130 Å²	130	136.2 Å²	136.2	67%	0.667	71%	0.707	S	S	*	*			cis	-165.4	137.1	-32.3	-125.5	167.6	0	0	0	105.2
831	T	36.5	Very low	33.9	Very low	111 Å²	111	139 Å²	139	68%	0.681	72%	0.718	S	S	*	*			trans	47.1	137.1	158.7	62.8	0	0	0	0	119.9
832	E	37.4	Very low	33.8	Very low	159 Å²	159	136.5 Å²	136.5	74%	0.743	72%	0.721	S	S	*	*			cis	177.9	174.1	14.9	-114.7	-166.6	-92.1	0	0	107.1
833	N	36.2	Very low	33.8	Very low	116 Å²	116	138.3 Å²	138.3	62%	0.62	73%	0.731	S	S	*	*			cis	-170.1	179.7	-22.9	-132.1	-8.3	0	0	0	106.5
834	I	36	Very low	33.7	Very low	127 Å²	127	137.1 Å²	137.1	65%	0.651	73%	0.733	S	S	*	*			cis	-158.2	157.3	-10.4	-157.5	177.6	0	0	0	107.7
835	V	36	Very low	33.5	Very low	114 Å²	114	137.2 Å²	137.2	69%	0.691	74%	0.738	S	S	*	*			trans	60.8	133.7	154.1	160.8	0	0	0	0	119
836	E	35.2	Very low	33.1	Very low	140 Å²	140	136.7 Å²	136.7	65%	0.654	74%	0.744	S	S	*	*			cis	-170	174	-6.1	-104.6	-160.4	176.6	0	0	107.9
837	K	34.8	Very low	33.1	Very low	138 Å²	138	137.8 Å²	137.8	60%	0.6	75%	0.749	S	S	*	*			cis	-165.1	147.4	-14.8	159	-179.5	-75.6	144.8	0	107.5
838	E	28.2	Very low	32.7	Very low	194 Å²	194	138 Å²	138	91%	0.907	75%	0.75	S	S	*	*			trans	-128.9	166.1	157.4	-75	-168.4	132.5	0	0	110
839	K	34.5	Very low	32.6	Very low	170 Å²	170	137.5 Å²	137.5	74%	0.739	75%	0.752	S	S	*	*			trans	-149.6	127.2	178.2	-116.5	-165.7	173.4	-173.7	0	113.3
840	L	33.1	Very low	32.3	Very low	142 Å²	142	138.9 Å²	138.9	74%	0.743	76%	0.755	S	S	*	*			trans	67.6	114.4	153.2	-56.6	168	0	0	0	116.7
841	M	29.1	Very low	32.1	Very low	183 Å²	183	144 Å²	144	90%	0.901	77%	0.765	S	S	*	*				81.4	116.2	61.6	-75.1	-80	-73.7	0	0	114.1
842	G	32.2	Very low	31.6	Very low	70 Å²	70	144.5 Å²	144.5	72%	0.722	77%	0.774	S	S	*	*			trans	165.8	95.1	168.9	0	0	0	0	0	117.1
843	N	35.4	Very low	31.3	Very low	157 Å²	157	143.1 Å²	143.1	84%	0.84	78%	0.776	S	S	*	*			trans	49.8	106.8	146.6	-59.3	-5.5	0	0	0	122.1
844	S	29.8	Very low	31.1	Very low	108 Å²	108	144 Å²	144	76%	0.755	79%	0.785	S	S	*	*				24.5	128.5	126.5	62.3	0	0	0	0	121.6
845	V	30.3	Very low	30.8	Very low	133 Å²	133	142 Å²	142	81%	0.806	78%	0.783	S	S	*	*				-176.2	144	106.2	146.5	0	0	0	0	109.7
846	S	25.3	Very low	30.6	Very low	113 Å²	113	143.2 Å²	143.2	79%	0.79	79%	0.793	S	S	*	*			trans	-96.5	129.7	175.5	55.3	0	0	0	0	112.2
847	L	29.5	Very low	30.2	Very low	159 Å²	159	141.3 Å²	141.3	83%	0.832	80%	0.795	S	S	*	*			trans	-162.8	154	156.5	-112.6	164.5	0	0	0	110.8
848	L	26	Very low	30.1	Very low	160 Å²	160	142.2 Å²	142.2	84%	0.838	80%	0.803	S	S	*	*			trans	-75.3	134.1	175.6	-73.1	74.5	0	0	0	110
849	T	30.4	Very low	30.2	Very low	128 Å²	128	140.6 Å²	140.6	79%	0.785	79%	0.793	S	S	*	*			trans	-166.3	138.2	150	6.2	0	0	0	0	110.1
850	N	26.7	Very low	29.8	Very low	165 Å²	165	139.2 Å²	139.2	88%	0.882	80%	0.799	S	S	*	*			trans	-69.1	133.6	168.7	-71.4	-37.5	0	0	0	109.5
851	R	31	Very low	29.7	Very low	236 Å²	236	137.5 Å²	137.5	89%	0.891	80%	0.795	S	S	*	*			trans	-135.5	115.1	167.6	-91.8	-166.9	167.6	-155.8	-3.7	112.4
852	S	27.4	Very low	29.5	Very low	122 Å²	122	134.8 Å²	134.8	85%	0.853	79%	0.788	S	S	*	*			trans	-83.9	125.5	177.3	-45.2	0	0	0	0	111.3
853	V	31	Very low	29.4	Very low	131 Å²	131	138 Å²	138	79%	0.794	79%	0.788	S	S	*	*			trans	-151.9	131.8	173.9	178.8	0	0	0	0	107.8
854	V	31.4	Very low	29.2	Very low	133 Å²	133	137.7 Å²	137.7	81%	0.806	78%	0.784	S	S	*	*			cis	-149.3	152	-16.3	118.2	0	0	0	0	107.4
855	S	29.1	Very low	29.1	Very low	87 Å²	87	138.2 Å²	138.2	61%	0.608	78%	0.783	S	S	*	*			trans	-95	147.5	174.7	48.9	0	0	0	0	112.4	S857	S855-S857 VanDerWaalsContact C-N 3.32Å; S855-S857 PolarHBondContact O-N 3.05Å
856	P	32.7	Very low	29.2	Very low	138 Å²	138	137.7 Å²	137.7	90%	0.896	79%	0.786	S	S	*	*			trans	-80.7	75.4	174.5	33.3	-34.7	0	0	0	111.3
857	S	26.6	Very low	29.4	Very low	101 Å²	101	139.4 Å²	139.4	71%	0.706	79%	0.786	S	S	*	*			trans	-96	96.1	165.4	52	0	0	0	0	110.8	S855	S855-S857 VanDerWaalsContact C-N 3.32Å; S855-S857 PolarHBondContact O-N 3.05Å
858	M	32.6	Very low	29.7	Very low	157 Å²	157	138 Å²	138	77%	0.773	78%	0.784	S	S	*	*			trans	-143.1	140.5	167.3	-73.5	-148.9	-176.1	0	0	110.5
859	K	30.7	Very low	30	Very low	160 Å²	160	135.3 Å²	135.3	70%	0.696	78%	0.779	S	S	*	*			cis	-155.1	132.6	-12.8	-122.9	175.4	-174.4	177.1	0	107.3	T861	K859-T861 PolarHBondContact O-N 3.45Å
860	T	24.7	Very low	30.3	Very low	140 Å²	140	136 Å²	136	86%	0.859	78%	0.782	S	S	*	*			trans	-73.8	118	166.6	-54.3	0	0	0	0	108
861	T	31.5	Very low	30.7	Very low	107 Å²	107	133.2 Å²	133.2	66%	0.656	77%	0.773	S	S	*	*			trans	-145.7	94.8	172.8	-56.1	0	0	0	0	109.6	K859	K859-T861 PolarHBondContact O-N 3.45Å
862	T	24.8	Very low	30.9	Very low	125 Å²	125	129.3 Å²	129.3	77%	0.767	77%	0.768	S	S	*	*			trans	-75	123.8	164.9	-54.1	0	0	0	0	108.8
863	I	31.1	Very low	31.2	Very low	138 Å²	138	131.9 Å²	131.9	71%	0.708	76%	0.764	S	S	*	*			trans	-169.7	99.5	159	-97.8	143.6	0	0	0	104.4
864	I	30.4	Very low	31.3	Very low	150 Å²	150	137.3 Å²	137.3	77%	0.769	77%	0.77	S	S	*	*				79.6	126.2	97.5	-68.3	164.3	0	0	0	113
865	T	27.6	Very low	31.4	Very low	119 Å²	119	135.6 Å²	135.6	73%	0.73	77%	0.77	S	S	*	*			trans	-50.3	148.3	-175.4	48	0	0	0	0	118.2
866	S	32.3	Very low	31.4	Very low	123 Å²	123	137.6 Å²	137.6	86%	0.86	78%	0.784	S	S	*	*				-166	157.5	121.7	17.8	0	0	0	0	111.4
867	D	29.6	Very low	31.5	Very low	148 Å²	148	136.8 Å²	136.8	79%	0.791	78%	0.782	S	S	*	*			trans	-105.1	160.2	-164.5	-62.4	-90.2	0	0	0	115.1
868	T	35.1	Very low	31.6	Very low	131 Å²	131	137.9 Å²	137.9	80%	0.804	79%	0.785	S	S	*	*			trans	-177.3	101.4	144.1	17.6	0	0	0	0	108
869	S	33.4	Very low	31.7	Very low	102 Å²	102	138.2 Å²	138.2	71%	0.713	79%	0.788	S	S	*	*				64.3	133.3	92.8	71.9	0	0	0	0	115
870	V	35.7	Very low	31.5	Very low	142 Å²	142	139 Å²	139	86%	0.861	79%	0.792	S	S	*	*			cis	-156.9	163.5	7.6	109.8	0	0	0	0	110.5
871	P	36	Very low	31.9	Very low	108 Å²	108	142.2 Å²	142.2	70%	0.701	79%	0.793	S	S	*	*			trans	-125	179.4	-150.5	45.2	-36.2	0	0	0	117.7
872	I	35.1	Very low	31.9	Very low	153 Å²	153	142.6 Å²	142.6	79%	0.785	80%	0.801	S	S	*	*			trans	-176	145	155	-100.8	148.4	0	0	0	107.4
873	K	34	Very low	32.1	Very low	177 Å²	177	144.3 Å²	144.3	77%	0.77	80%	0.804	S	S	*	*			cis	-145.8	134.3	-24.1	-92.3	163.8	179.8	171.9	0	105
874	R	32.2	Very low	32.1	Very low	244 Å²	244	145.2 Å²	145.2	92%	0.921	81%	0.81	S	S	*	*				48.3	138.3	91.7	-73.5	-172.5	178.4	171.8	1.6	116.2
875	A	34.9	Very low	32	Very low	97 Å²	97	145.9 Å²	145.9	80%	0.802	82%	0.815	S	S	*	*			cis	-138.9	142.5	19.5	0	0	0	0	0	116.2
876	S	27.7	Very low	32	Very low	129 Å²	129	143.1 Å²	143.1	90%	0.902	81%	0.81	S	S	*	*			trans	-148.1	142.4	150.6	-99.6	0	0	0	0	106.2
877	S	34.6	Very low	32	Very low	122 Å²	122	144.7 Å²	144.7	85%	0.853	81%	0.809	S	S	*	*			trans	-136	115.5	-173.1	54.5	0	0	0	0	113.3
878	T	30.4	Very low	31.9	Very low	123 Å²	123	143 Å²	143	76%	0.755	80%	0.804	S	S	*	*			trans	-98.8	149.1	171.6	-44.9	0	0	0	0	110.5
879	I	33.1	Very low	31.6	Very low	165 Å²	165	143.3 Å²	143.3	85%	0.846	81%	0.805	S	S	*	*			trans	-169	129.5	146.8	-93	139.7	0	0	0	105.5
880	K	28.3	Very low	31.5	Very low	177 Å²	177	143 Å²	143	77%	0.77	80%	0.801	S	S	*	*			cis	96.4	121.9	31	-95.4	-170.5	172.7	176.3	0	115.3
881	K	31.6	Very low	31.1	Very low	207 Å²	207	145.6 Å²	145.6	90%	0.9	80%	0.801	S	S	*	*			trans	69.8	149.4	173.7	-53.3	178.3	178.5	-177.4	0	113.5
882	S	32.1	Very low	30.8	Very low	115 Å²	115	144.1 Å²	144.1	80%	0.804	80%	0.798	S	S	*	*			cis	-142	172.5	17.9	51.2	0	0	0	0	113.3
883	L	28.7	Very low	30.4	Very low	161 Å²	161	144 Å²	144	84%	0.843	80%	0.804	S	S	*	*			trans	-80.9	143.8	167.6	-57.4	107.5	0	0	0	110.9
884	N	30.4	Very low	30.1	Very low	156 Å²	156	140.5 Å²	140.5	83%	0.834	80%	0.802	S	S	*	*				-168.2	171	122.9	-114.9	-38.4	0	0	0	114.3
885	L	29.7	Very low	30.2	Very low	165 Å²	165	133.3 Å²	133.3	86%	0.864	80%	0.795	S	S	*	*			trans	-78	149.3	-175	-81.8	58.8	0	0	0	113.8
886	G	27.7	Very low	29.8	Very low	61 Å²	61	135.8 Å²	135.8	63%	0.629	80%	0.795	S	S	*	*			trans	75.3	106.8	139.4	0	0	0	0	0	119.4
887	N	31.3	Very low	30	Very low	156 Å²	156	136.6 Å²	136.6	83%	0.834	79%	0.788	S	S	*	*				-178.2	111.1	100	-87.4	-25.3	0	0	0	114
888	T	28.1	Very low	29.8	Very low	113 Å²	113	137.6 Å²	137.6	69%	0.693	78%	0.782	S	S	*	*			trans	24.5	113.3	137.1	29.2	0	0	0	0	122.5
889	V	29.2	Very low	29.7	Very low	136 Å²	136	136.9 Å²	136.9	82%	0.824	77%	0.77	S	S	*	*			trans	59.6	161.4	139.2	-65.4	0	0	0	0	121.5
890	P	30.5	Very low	29.7	Very low	96 Å²	96	136 Å²	136	62%	0.623	77%	0.767	S	S	*	*			cis	-132.9	-147	-39.4	36.2	-16.5	0	0	0	111.3
891	F	26.7	Very low	29.9	Very low	196 Å²	196	132.2 Å²	132.2	86%	0.86	76%	0.755	S	S	*	*			trans	72.8	149.7	176.3	-66.1	-77.8	0	0	0	115.6
892	A	29.6	Very low	30	Very low	78 Å²	78	128.7 Å²	128.7	65%	0.645	76%	0.755	S	S	*	*			cis	-151	158.5	-13.5	0	0	0	0	0	111.2
893	T	27.9	Very low	30	Very low	149 Å²	149	129.8 Å²	129.8	91%	0.914	75%	0.751	S	S	*	*			trans	-104.7	103.3	164.2	49.4	0	0	0	0	110
894	S	28.6	Very low	30.3	Very low	105 Å²	105	129.3 Å²	129.3	73%	0.734	75%	0.75	S	S	*	*			trans	-166.9	111	172.8	52.6	0	0	0	0	112.5
895	A	32.8	Very low	30.5	Very low	93 Å²	93	125.5 Å²	125.5	77%	0.769	74%	0.74	S	S	*	*			trans	177.4	136.2	150.5	0	0	0	0	0	108.8
896	D	27.8	Very low	30.5	Very low	148 Å²	148	126.9 Å²	126.9	79%	0.791	74%	0.739	S	S	*	*			cis	-163.4	-166.9	-25.1	-123.5	-45.8	0	0	0	109.3
897	I	30.4	Very low	30.5	Very low	147 Å²	147	129.1 Å²	129.1	75%	0.754	74%	0.744	S	S	*	*			trans	93.7	77.3	170.5	-48.8	173.5	0	0	0	115.7
898	I	30.3	Very low	30.3	Very low	143 Å²	143	127.6 Å²	127.6	73%	0.733	74%	0.736	S	S	*	*				54.8	122.4	117.2	-58	158.1	0	0	0	119.1
899	H	28.1	Very low	30.4	Very low	108 Å²	108	132.1 Å²	132.1	50%	0.5	74%	0.741	S	S	.	*			trans	-140	145.6	153.9	-126.6	-70.9	0	0	0	109.5	I547 I548	I547-H899 WeakPolarHBondContact CG2-CE1 3.43Å; I547-H899 WeakPolarHBondContact CG2-NE2 3.5Å; I548-H899 HydrophobicContact CG2-CB 4.22Å
900	N	34.9	Very low	30.5	Very low	146 Å²	146	129.1 Å²	129.1	78%	0.781	74%	0.739	S	S	*	*			trans	-127.1	156.1	171.9	-92.3	-22.4	0	0	0	110.7
901	N	31.2	Very low	30.5	Very low	98 Å²	98	132 Å²	132	52%	0.524	74%	0.743	S	S	.	*			trans	-93.3	163.7	-173.6	-68.7	-29.9	0	0	0	113.8	S549	S549-N901 WeakPolarHBondContact CB-OD1 3.47Å; S549-N901 PolarHBondContact N-OD1 2.87Å; S549-N901 PolarHBondContact OG-OD1 3.1Å
902	C	34.4	Very low	30.7	Very low	132 Å²	132	130.3 Å²	130.3	89%	0.892	74%	0.738	S	S	*	*				-162.5	157.2	127.6	-113.6	0	0	0	0	112
903	N	32.6	Very low	30.6	Very low	138 Å²	138	131 Å²	131	74%	0.738	74%	0.738	S	S	*	*			trans	-99	176.2	-176	-54.5	-33.4	0	0	0	110.7
904	D	35.2	Very low	30.8	Very low	152 Å²	152	129.1 Å²	129.1	81%	0.813	73%	0.731	S	S	*	*				-176.8	177.4	51.3	-134.3	-52.4	0	0	0	115.9
905	A	32.9	Very low	30.8	Very low	76 Å²	76	131.5 Å²	131.5	63%	0.628	74%	0.735	S	S	*	*			trans	69.6	89.1	150.3	0	0	0	0	0	124.4
906	K	29.7	Very low	30.6	Very low	194 Å²	194	135 Å²	135	84%	0.843	74%	0.74	S	S	*	*				71.9	133.6	114.6	-76.3	177.1	178.8	174	0	125.2
907	C	28.3	Very low	30.6	Very low	108 Å²	108	134.2 Å²	134.2	73%	0.73	74%	0.741	S	S	*	*			trans	79.5	143.7	136.2	-73.4	0	0	0	0	121.8
908	N	28	Very low	30.5	Very low	124 Å²	124	135.2 Å²	135.2	66%	0.663	75%	0.748	S	S	*	*			cis	-165.3	161.2	-25.4	-142.6	-8.6	0	0	0	113.7
909	Y	30.4	Very low	30.5	Very low	207 Å²	207	135.4 Å²	135.4	81%	0.812	75%	0.749	S	S	*	*			trans	60.4	141.3	162.8	-77	-70.9	0	0	0	122.4
910	G	29.6	Very low	30.8	Very low	74 Å²	74	135.1 Å²	135.1	76%	0.763	76%	0.757	S	S	*	*			trans	153.1	75.9	166.9	0	0	0	0	0	115.9
911	H	30.5	Very low	30.4	Very low	155 Å²	155	133.2 Å²	133.2	72%	0.718	75%	0.75	S	S	*	*			trans	-58.7	163.3	174.7	-83.2	-136.7	0	0	0	113.6
912	H	32.4	Very low	30.4	Very low	161 Å²	161	138.2 Å²	138.2	75%	0.745	76%	0.763	S	S	*	*			cis	-155.3	154.5	34.7	-123.8	-72.8	0	0	0	114.7
913	S	27.5	Very low	30.1	Very low	92 Å²	92	138.2 Å²	138.2	64%	0.643	75%	0.754	S	S	*	*			trans	-6.2	136.1	159.2	51.8	0	0	0	0	122.4
914	S	30.9	Very low	30.1	Very low	110 Å²	110	138.5 Å²	138.5	77%	0.769	76%	0.756	S	S	*	*				-173.1	143.8	99.9	36.8	0	0	0	0	116.1
915	D	28.9	Very low	29.9	Very low	156 Å²	156	136.7 Å²	136.7	83%	0.834	75%	0.75	S	S	*	*			trans	50	116.1	149.3	-60.4	-1.8	0	0	0	124
916	L	28	Very low	29.8	Very low	166 Å²	166	138 Å²	138	87%	0.869	76%	0.761	S	S	*	*			trans	-70.1	134.9	156.3	-52.2	101.8	0	0	0	111
917	T	27.4	Very low	29.9	Very low	132 Å²	132	137.2 Å²	137.2	81%	0.81	76%	0.76	S	S	*	*			trans	-179.2	123.1	131.6	19.8	0	0	0	0	110.7
918	N	28.7	Very low	30.3	Very low	167 Å²	167	137.2 Å²	137.2	89%	0.893	76%	0.761	S	S	*	*			trans	-156.6	80.5	166.1	-107	-52.6	0	0	0	111.1
919	I	30.7	Very low	30.4	Very low	147 Å²	147	139.6 Å²	139.6	75%	0.754	77%	0.768	S	S	*	*			trans	-121	113.7	167.6	-60.7	176.5	0	0	0	106.7	V921	I919-V921 PolarHBondContact O-N 2.78Å
920	P	34.1	Very low	30.7	Very low	103 Å²	103	136.7 Å²	136.7	67%	0.669	77%	0.766	S	S	*	*			trans	-77.8	90.1	-176.3	30.2	-34.1	0	0	0	111.6	Y922	P920-Y922 HydrophobicContact CB-CD2 4.15Å; P920-Y922 HydrophobicContact CB-CE2 4.06Å; P920-Y922 PolarHBondContact O-N 3.12Å
921	V	27.6	Very low	31	Very low	105 Å²	105	140 Å²	140	64%	0.636	77%	0.766	S	S	*	*			trans	-74.5	104.5	164.8	-179.6	0	0	0	0	108.5	I919 D923	I919-V921 PolarHBondContact O-N 2.78Å; V921-D923 PolarHBondContact O-N 2.79Å
922	Y	31.1	Very low	31.2	Very low	204 Å²	204	137.7 Å²	137.7	80%	0.8	77%	0.765	S	S	*	*			trans	-89.7	73.3	175	-91.4	-81.7	0	0	0	111.8	P920	P920-Y922 HydrophobicContact CB-CD2 4.15Å; P920-Y922 HydrophobicContact CB-CE2 4.06Å; P920-Y922 PolarHBondContact O-N 3.12Å
923	D	27.7	Very low	31.1	Very low	132 Å²	132	137.5 Å²	137.5	71%	0.706	77%	0.769	S	S	*	*			trans	-82.6	129.5	147.2	-89.6	-48.3	0	0	0	108.2	V921	V921-D923 PolarHBondContact O-N 2.79Å
924	N	31.9	Very low	31.4	Very low	144 Å²	144	140.4 Å²	140.4	77%	0.77	78%	0.776	S	S	*	*			trans	-157.4	81.6	167.8	-108.9	-66	0	0	0	110.2
925	V	31.5	Very low	31.2	Very low	113 Å²	113	141.8 Å²	141.8	69%	0.685	77%	0.774	S	S	*	*			trans	-73	125.8	164.4	171.8	0	0	0	0	108.1	Q927	V925-Q927 HydrophobicContact CG1-CG 4.05Å; V925-Q927 PolarHBondContact O-N 3.11Å; V925-Q927 VanDerWaalsContact O-N 3.11Å
926	A	31.8	Very low	31.4	Very low	105 Å²	105	142.5 Å²	142.5	87%	0.868	77%	0.774	S	S	*	*			trans	-76.6	96	171.4	0	0	0	0	0	110.4
927	Q	31.3	Very low	31.4	Very low	177 Å²	177	143 Å²	143	83%	0.827	77%	0.769	S	S	*	*			trans	-130.7	133	163.7	-80.8	-175.1	-57.4	0	0	109.6	V925	V925-Q927 HydrophobicContact CG1-CG 4.05Å; V925-Q927 PolarHBondContact O-N 3.11Å; V925-Q927 VanDerWaalsContact O-N 3.11Å
928	S	35.6	Very low	31.7	Very low	107 Å²	107	147.1 Å²	147.1	75%	0.748	77%	0.772	S	S	*	*			trans	-104.8	110.7	-174	54.8	0	0	0	0	112.6
929	E	31.9	Very low	31.7	Very low	174 Å²	174	143.9 Å²	143.9	81%	0.813	76%	0.762	S	S	*	*			trans	74.4	149.1	141.9	-57.4	-174.5	135.7	0	0	121.3
930	L	36.2	Very low	31.6	Very low	147 Å²	147	142.9 Å²	142.9	77%	0.77	77%	0.765	S	S	*	*			trans	72.8	124	164.3	-58.5	139.2	0	0	0	117.6
931	D	35.4	Very low	31.5	Very low	143 Å²	143	146.3 Å²	146.3	77%	0.765	78%	0.777	S	S	*	*			cis	-158.2	167	-16.4	-128.3	16.3	0	0	0	109.9
932	P	35.1	Very low	31.5	Very low	106 Å²	106	145.7 Å²	145.7	69%	0.688	78%	0.778	S	S	*	*			trans	-94.8	170.8	-161.9	38	-38.1	0	0	0	114.8
933	L	29.8	Very low	31.3	Very low	158 Å²	158	141.6 Å²	141.6	83%	0.827	77%	0.774	S	S	*	*			trans	-169.6	150.1	131.6	-105.1	164.3	0	0	0	114.1
934	I	33.3	Very low	31.3	Very low	153 Å²	153	142.2 Å²	142.2	79%	0.785	78%	0.777	S	S	*	*			trans	71.9	104.2	162	-59.9	162.5	0	0	0	117.9
935	N	27.7	Very low	31.2	Very low	138 Å²	138	143.1 Å²	143.1	74%	0.738	78%	0.782	S	S	*	*			trans	-73.4	153.9	153.8	-69.8	-74.6	0	0	0	110.7
936	M	33.5	Very low	31	Very low	171 Å²	171	148.7 Å²	148.7	84%	0.842	79%	0.791	S	S	*	*				-145.4	140.4	115.1	-85.2	-153.9	75.5	0	0	110.1	Y938	M936-Y938 HydrophobicContact CE-CE2 4.37Å
937	K	28.1	Very low	30.9	Very low	176 Å²	176	155 Å²	155	77%	0.765	79%	0.794	S	S	*	*			trans	-91	154.7	172.5	-57.4	173.7	-178.9	176.3	0	109.1
938	Y	32.3	Very low	30.7	Very low	220 Å²	220	151.2 Å²	151.2	86%	0.863	79%	0.787	S	S	*	*			trans	-147.3	157	131.2	-101.6	-68.1	0	0	0	110.6	M936	M936-Y938 HydrophobicContact CE-CE2 4.37Å
939	S	28.5	Very low	30.4	Very low	99 Å²	99	155.6 Å²	155.6	69%	0.692	79%	0.793	S	S	*	*			trans	-107.7	158	-160	43	0	0	0	0	113.6
940	P	30.1	Very low	30.2	Very low	126 Å²	126	151.9 Å²	151.9	82%	0.818	79%	0.786	S	S	*	*			trans	-80.5	152	-173.4	32.9	-36.3	0	0	0	113.5
941	L	31.2	Very low	29.9	Very low	175 Å²	175	151.9 Å²	151.9	92%	0.916	79%	0.787	S	S	*	*			trans	-135.5	166.2	165.5	-103.6	162.6	0	0	0	109.7
942	S	27.3	Very low	29.7	Very low	92 Å²	92	150.1 Å²	150.1	64%	0.643	78%	0.781	S	S	*	*			trans	-114.7	174.6	-152.1	60.7	0	0	0	0	115.5
943	T	28.4	Very low	29.4	Very low	118 Å²	118	153.2 Å²	153.2	72%	0.724	79%	0.791	S	S	*	*			trans	74.2	126.8	164.4	61.2	0	0	0	0	119.8
944	N	26.9	Very low	29.2	Very low	144 Å²	144	152.1 Å²	152.1	77%	0.77	79%	0.786	S	S	*	*			trans	47.8	100.6	138.8	-55.7	-15.6	0	0	0	119.3
945	N	30.4	Very low	29.2	Very low	163 Å²	163	150.6 Å²	150.6	87%	0.872	79%	0.786	S	S	*	*				-155.4	155.5	106	-108.9	-37.8	0	0	0	113.3
946	R	25.6	Very low	29.3	Very low	230 Å²	230	149.4 Å²	149.4	87%	0.868	78%	0.783	S	S	*	*			trans	-94.5	125.8	170	-62.1	174.8	-179.1	170.8	-0.6	108.6
947	Y	30.7	Very low	28.9	Very low	238 Å²	238	147.6 Å²	147.6	93%	0.933	78%	0.782	S	S	*	*			trans	-148.6	148.6	142.3	-89.3	-65.5	0	0	0	109.5
948	S	27.6	Very low	29	Very low	97 Å²	97	146.2 Å²	146.2	68%	0.678	78%	0.78	S	S	*	*			trans	-93.5	148.1	-177.7	51.6	0	0	0	0	111.3
949	F	29	Very low	28.7	Very low	200 Å²	200	142.8 Å²	142.8	88%	0.877	78%	0.776	S	S	*	*			trans	-134.7	131.1	137	-129.1	-89.8	0	0	0	109.6
950	S	27	Very low	28.8	Very low	96 Å²	96	148.2 Å²	148.2	67%	0.671	78%	0.783	S	S	*	*			trans	-97.1	138.3	175.8	-56.3	0	0	0	0	107.8
951	D	30.8	Very low	28.7	Very low	146 Å²	146	147 Å²	147	78%	0.781	77%	0.774	S	S	*	*			trans	-156.6	137	149	-107.9	-31.7	0	0	0	114.9
952	V	30.6	Very low	28.5	Very low	107 Å²	107	144.9 Å²	144.9	65%	0.648	76%	0.763	S	S	*	*			trans	37.6	100.9	155	-170	0	0	0	0	119.3	N954	V952-N954 HydrophobicContact CG1-CB 3.85Å
953	L	27.7	Very low	28.6	Very low	171 Å²	171	146.8 Å²	146.8	90%	0.895	77%	0.766	S	S	*	*			trans	-68.9	128.1	135.8	-81.5	165.8	0	0	0	109.2
954	N	27.4	Very low	28.5	Very low	135 Å²	135	149.9 Å²	149.9	72%	0.722	77%	0.77	S	S	*	*			trans	-158.3	141.3	153.3	-107.7	-32.8	0	0	0	112.4	V952	V952-N954 HydrophobicContact CG1-CB 3.85Å
955	P	33.1	Very low	28.6	Very low	120 Å²	120	150 Å²	150	78%	0.779	77%	0.771	S	S	*	*			trans	-86.3	136	173.6	34.2	-31.3	0	0	0	110.9
956	V	28.6	Very low	28.5	Very low	113 Å²	113	147.5 Å²	147.5	69%	0.685	76%	0.761	S	S	*	*			trans	-126.4	105.4	176.7	-176.5	0	0	0	0	111.2	M958	V956-M958 HydrophobicContact CG1-CE 4.39Å; V956-M958 HydrophobicContact CG1-CG 4.15Å
957	T	26.1	Very low	28.8	Very low	133 Å²	133	143.4 Å²	143.4	82%	0.816	76%	0.756	S	S	*	*			trans	-72.3	127.1	156	47.1	0	0	0	0	109.4
958	M	30.6	Very low	28.6	Very low	147 Å²	147	138.2 Å²	138.2	72%	0.724	75%	0.745	S	S	*	*			trans	-107.8	103.8	164.9	-85.4	-66	-175.5	0	0	110	V956 Y960	V956-M958 HydrophobicContact CG1-CE 4.39Å; V956-M958 HydrophobicContact CG1-CG 4.15Å; M958-Y960 HydrophobicContact SD-CD2 4.31Å; M958-Y960 HydrophobicContact SD-CE2 4.11Å
959	N	25.7	Very low	28.9	Very low	148 Å²	148	140.1 Å²	140.1	79%	0.791	75%	0.748	S	S	*	*			trans	-81.7	139.4	153.1	-78.3	-13.3	0	0	0	107.7
960	Y	30.6	Very low	28.9	Very low	214 Å²	214	136.7 Å²	136.7	84%	0.839	74%	0.738	S	S	*	*			trans	-133	111.4	157.4	-106.8	-85.7	0	0	0	108.3	M958	M958-Y960 HydrophobicContact SD-CD2 4.31Å; M958-Y960 HydrophobicContact SD-CE2 4.11Å
961	T	26.6	Very low	29.1	Very low	101 Å²	101	139.6 Å²	139.6	62%	0.62	75%	0.746	S	S	*	*			trans	-106	165.4	163.4	52.7	0	0	0	0	108.4
962	D	27.6	Very low	29	Very low	129 Å²	129	142 Å²	142	69%	0.69	75%	0.75	S	S	*	*			trans	66.7	117.4	162.8	-39.7	-50.1	0	0	0	114.6
963	N	29.9	Very low	29.1	Very low	133 Å²	133	142.5 Å²	142.5	71%	0.711	76%	0.758	S	S	*	*			cis	-160.8	179.2	38.2	-95.3	-55.7	0	0	0	113.2
964	F	27	Very low	29.2	Very low	182 Å²	182	144 Å²	144	80%	0.798	76%	0.761	S	S	*	*			trans	-21.8	152.4	153.6	-55.6	-97.5	0	0	0	115.7
965	N	28.8	Very low	29.4	Very low	147 Å²	147	141.4 Å²	141.4	79%	0.786	77%	0.765	S	S	*	*			cis	-157.2	175.5	37.3	-153.8	-1.4	0	0	0	114.8
966	V	27.4	Very low	29.1	Very low	111 Å²	111	141.2 Å²	141.2	67%	0.673	77%	0.766	S	S	*	*			trans	-86.2	132.9	-177.8	175.4	0	0	0	0	112.3
967	N	31.3	Very low	29.2	Very low	143 Å²	143	143.8 Å²	143.8	77%	0.765	78%	0.775	S	S	*	*				-173.3	158.7	125.8	-108.9	-56.3	0	0	0	117
968	N	28.3	Very low	29.3	Very low	129 Å²	129	147.1 Å²	147.1	69%	0.69	78%	0.778	S	S	*	*			trans	-63.8	158.8	168.4	-47.7	-70.1	0	0	0	110.4
969	N	32	Very low	29.4	Very low	138 Å²	138	146.2 Å²	146.2	74%	0.738	78%	0.781	S	S	*	*				-173	169.9	59.3	-110.2	-44.7	0	0	0	113.3
970	N	29.4	Very low	29.7	Very low	128 Å²	128	144.5 Å²	144.5	68%	0.684	78%	0.778	S	S	*	*			trans	-23.3	140.1	161.6	-46.8	-52	0	0	0	115.3
971	N	32.6	Very low	29.7	Very low	157 Å²	157	140.4 Å²	140.4	84%	0.84	78%	0.775	S	S	*	*				-165.7	177.7	67.7	-113.1	-42.5	0	0	0	115.5
972	K	28.3	Very low	29.9	Very low	195 Å²	195	145.5 Å²	145.5	85%	0.848	79%	0.785	S	S	*	*			trans	-83.9	142	-177.5	-49.1	163.6	-174.9	168.7	0	113.3
973	S	32.3	Very low	30.1	Very low	119 Å²	119	145.4 Å²	145.4	83%	0.832	78%	0.784	S	S	*	*			trans	-164.2	163.4	133.6	59.7	0	0	0	0	111
974	H	30.2	Very low	30.1	Very low	203 Å²	203	146.4 Å²	146.4	94%	0.94	79%	0.788	S	S	*	*			trans	-88.2	143.6	-171.1	-74.2	-115	0	0	0	113.3
975	G	30.6	Very low	30.1	Very low	79 Å²	79	146.9 Å²	146.9	81%	0.814	79%	0.785	S	S	*	*			trans	-160.5	116.9	163.8	0	0	0	0	0	109.9
976	S	27.7	Very low	30.1	Very low	116 Å²	116	149 Å²	149	81%	0.811	79%	0.79	S	S	*	*			trans	-115.7	112.3	-163.6	58.3	0	0	0	0	114.5
977	I	30.7	Very low	30.2	Very low	168 Å²	168	148.1 Å²	148.1	86%	0.862	79%	0.789	S	S	*	*			trans	-131.7	128.8	156.8	-60.4	-177.7	0	0	0	107.6
978	K	28	Very low	30.2	Very low	202 Å²	202	146.8 Å²	146.8	88%	0.878	79%	0.785	S	S	*	*			trans	-110.2	119.3	179.3	-71.7	179.6	178.7	174.8	0	110.5
979	T	33.4	Very low	30.2	Very low	129 Å²	129	151.4 Å²	151.4	79%	0.791	79%	0.793	S	S	*	*			trans	-93.5	134.1	160.3	39.4	0	0	0	0	109.8	T981	T979-T981 PolarHBondContact O-N 2.65Å
980	P	31.9	Very low	30.2	Very low	112 Å²	112	152.9 Å²	152.9	73%	0.727	80%	0.796	S	S	*	*			trans	-82.9	114.9	-169.8	30.6	-34.2	0	0	0	112.9
981	T	30.7	Very low	30.4	Very low	127 Å²	127	153.9 Å²	153.9	78%	0.779	80%	0.796	S	S	*	*			trans	-80.9	113.6	163.3	12.2	0	0	0	0	109.6	T979 N983	T979-T981 PolarHBondContact O-N 2.65Å; T981-N983 PolarHBondContact O-N 3.09Å
982	Y	30.5	Very low	30.4	Very low	209 Å²	209	153.4 Å²	153.4	82%	0.82	79%	0.789	S	S	*	*			trans	-68.1	100.7	-179.9	-94.2	-89.6	0	0	0	112
983	N	30.8	Very low	30.7	Very low	127 Å²	127	151.4 Å²	151.4	68%	0.679	78%	0.783	S	S	*	*			trans	-102	92.2	-178	-131.2	-52.9	0	0	0	109.6	T981 R985	T981-N983 PolarHBondContact O-N 3.09Å; N983-R985 PolarHBondContact O-N 2.81Å
984	L	29.8	Very low	30.7	Very low	153 Å²	153	156.1 Å²	156.1	80%	0.801	78%	0.782	S	S	*	*			trans	-72.5	76.1	176.9	-102.8	75.6	0	0	0	111.2
985	R	28.2	Very low	31	Very low	193 Å²	193	155.4 Å²	155.4	73%	0.728	78%	0.779	S	S	*	*			trans	-128.6	25.3	-179.2	-127.7	-178.2	-171.1	-156.4	4.7	113.9	N983	N983-R985 PolarHBondContact O-N 2.81Å
986	Q	28.2	Very low	31	Very low	192 Å²	192	162.3 Å²	162.3	90%	0.897	78%	0.78	S	S	*	*	S	Bend	trans	-145.2	65.5	-179.6	-106.3	173	-1.1	0	0	113
987	S	28.9	Very low	31	Very low	92 Å²	92	164 Å²	164	64%	0.643	78%	0.779	S	S	*	*	S	Bend	trans	-142.7	-14.3	173.5	-41.2	0	0	0	0	114.9
988	V	31	Very low	30.9	Very low	114 Å²	114	162 Å²	162	69%	0.691	78%	0.779	S	S	*	*	S	Bend	trans	-107.1	38.2	-172.5	-160	0	0	0	0	111.9
989	R	29.7	Very low	31	Very low	227 Å²	227	162.4 Å²	162.4	86%	0.857	78%	0.781	S	S	*	*	S	Bend	trans	-135.8	4.2	178.1	-88.4	-170.2	175.6	172.7	-0.8	116.2
990	Q	31.1	Very low	30.7	Very low	168 Å²	168	165.1 Å²	165.1	79%	0.785	79%	0.785	S	S	*	*	S	Bend	trans	-116.5	-25.1	174.4	-76.5	176.5	-27.4	0	0	113.8	Q992	Q990-Q992 PolarHBondContact O-N 2.72Å
991	E	33.5	Very low	30.5	Very low	150 Å²	150	169.5 Å²	169.5	70%	0.701	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-19.4	174.5	-140.3	60.1	-125.5	0	0	114
992	Q	33.9	Very low	30.5	Very low	147 Å²	147	169.2 Å²	169.2	69%	0.687	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-6.2	-174	-68.4	-168.1	-7.9	0	0	114.9	Q990	Q990-Q992 PolarHBondContact O-N 2.72Å
993	E	32.8	Very low	30.4	Very low	152 Å²	152	164.3 Å²	164.3	71%	0.71	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	-26.5	176.9	-62.8	-161.3	126.6	0	0	113.4	H995 R996	E993-H995 VanDerWaalsContact C-N 3.29Å; E993-H995 PolarHBondContact O-N 2.77Å; E993-R996 PolarHBondContact O-N 3.47Å
994	R	33.5	Very low	30.3	Very low	219 Å²	219	164.5 Å²	164.5	83%	0.826	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-17.5	-178.9	-91.4	-177.7	169.9	159.6	-2.1	115.7
995	H	35.6	Very low	30.4	Very low	188 Å²	188	162.4 Å²	162.4	87%	0.87	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	12.1	173.9	-109.5	-70	0	0	0	115.1	E993	E993-H995 VanDerWaalsContact C-N 3.29Å; E993-H995 PolarHBondContact O-N 2.77Å
996	R	30.4	Very low	30.5	Very low	223 Å²	223	157.8 Å²	157.8	84%	0.842	79%	0.793	S	S	*	*	S	Bend	trans	-111.5	12.4	178	-103.1	-175.5	174.9	-174.1	0.8	115.3	E993	E993-R996 PolarHBondContact O-N 3.47Å
997	L	28.8	Very low	30.4	Very low	151 Å²	151	155.1 Å²	155.1	79%	0.791	79%	0.785	S	S	*	*	S	Bend	trans	-141.3	42.1	-172.9	-109.2	166.5	0	0	0	115.7
998	C	28	Very low	30.4	Very low	127 Å²	127	160.8 Å²	160.8	86%	0.858	79%	0.794	S	S	*	*	S	Bend	trans	-145.2	53.4	166.9	-160.2	0	0	0	0	113.9
999	K	29.6	Very low	30.2	Very low	211 Å²	211	163 Å²	163	92%	0.917	79%	0.794	S	S	*	*	S	Bend	trans	-160.9	37.7	162	-125.2	169.5	-172.4	174.6	0	115.8
1000	Q	26.8	Very low	30.1	Very low	186 Å²	186	156.5 Å²	156.5	87%	0.869	78%	0.78	S	S	*	*			trans	-162.2	91.9	168.9	-115.2	170.2	-0.4	0	0	110.8
1001	K	28.8	Very low	29.9	Very low	203 Å²	203	152.9 Å²	152.9	88%	0.883	76%	0.762	S	S	*	*			trans	-168	70.4	160.7	-115.9	177.4	-177.4	-175.6	0	111.6
1002	S	30.7	Very low	29.7	Very low	121 Å²	121	150.5 Å²	150.5	85%	0.846	76%	0.758	S	S	*	*			trans	-157	63.3	167.3	62.4	0	0	0	0	108
1003	S	27.8	Very low	29.5	Very low	106 Å²	106	149.8 Å²	149.8	74%	0.741	76%	0.759	S	S	*	*			trans	-135.2	105.9	-172.7	53.9	0	0	0	0	109.4
1004	T	29.9	Very low	29.3	Very low	131 Å²	131	153 Å²	153	80%	0.804	77%	0.766	S	S	*	*			trans	-141.9	141.2	-178.9	42.6	0	0	0	0	110.6
1005	S	30.4	Very low	29	Very low	109 Å²	109	150.1 Å²	150.1	76%	0.762	77%	0.765	S	S	*	*			trans	67.2	136.9	165.5	53.2	0	0	0	0	121.5
1006	S	30.8	Very low	28.7	Very low	96 Å²	96	147.4 Å²	147.4	67%	0.671	76%	0.757	S	S	*	*			trans	64.5	81.5	149.7	62.5	0	0	0	0	119.7
1007	D	26.3	Very low	28.6	Very low	137 Å²	137	141.8 Å²	141.8	73%	0.733	75%	0.752	S	S	*	*				17	127	104.7	-41.9	-59.4	0	0	0	117.9
1008	Y	28.2	Very low	28.6	Very low	211 Å²	211	140 Å²	140	83%	0.827	75%	0.747	S	S	*	*				-176.2	167.2	95.1	-109.5	-86.7	0	0	0	113.5
1009	F	28.3	Very low	28.7	Very low	159 Å²	159	140.1 Å²	140.1	70%	0.697	74%	0.744	S	S	*	*			trans	-37	110.2	-171.6	-88.6	-121	0	0	0	121.4
1010	T	27.3	Very low	28.8	Very low	91 Å²	91	136.4 Å²	136.4	56%	0.558	73%	0.734	S	S	*	*				61.7	-169	108	66.7	0	0	0	0	122.6
1011	K	27.3	Very low	29.1	Very low	92 Å²	92	133.3 Å²	133.3	40%	0.4	73%	0.728	S	S	.	*			trans	79	155.7	161	4.8	137.8	72.9	85.8	0	116.5	T776 P778	T776-K1011 VanDerWaalsContact C-CB 3.46Å; T776-K1011 VanDerWaalsContact CB-O 3.3Å; T776-K1011 WeakPolarHBondContact CB-O 3.34Å; T776-K1011 WeakPolarHBondContact CG2-O 3.31Å; T776-K1011 WeakPolarHBondContact O-CD 3.36Å; T776-K1011 WeakPolarHBondContact O-CE 3.45Å; P778-K1011 HydrophobicContact CB-CB 3.8Å; P778-K1011 HydrophobicContact CB-CG 4.03Å; P778-K1011 HydrophobicContact CG-CB 4.19Å; P778-K1011 HydrophobicContact CG-CG 4.13Å
1012	T	28.8	Very low	29.4	Very low	101 Å²	101	128.4 Å²	128.4	62%	0.62	72%	0.717	S	S	*	*	B	Isolated β-bridge	trans	-158	159	-170.6	47.7	0	0	0	0	114.8	V777	V777-T1012 PolarHBondContact N-O 2.99Å; V777-T1012 PolarHBondContact O-N 3.26Å
1013	N	29.3	Very low	29.5	Very low	132 Å²	132	127.8 Å²	127.8	71%	0.706	71%	0.712	S	S	*	*			trans	-167.1	179	157.9	-115.7	-6.9	0	0	0	116.9
1014	Y	27.9	Very low	29.7	Very low	220 Å²	220	127.3 Å²	127.3	86%	0.863	71%	0.709	S	S	*	*			trans	-123	171.2	-167.5	-116.2	-103.4	0	0	0	114.3
1015	I	29	Very low	29.8	Very low	158 Å²	158	131.1 Å²	131.1	81%	0.81	71%	0.709	S	S	*	*			trans	141.7	116.6	155.7	-78.1	158.8	0	0	0	107.7
1016	D	28.4	Very low	30	Very low	131 Å²	131	133.8 Å²	133.8	70%	0.701	71%	0.709	S	S	*	*			cis	98.3	159.5	39.3	-160.9	18.1	0	0	0	112.8
1017	S	29.1	Very low	29.9	Very low	104 Å²	104	134.2 Å²	134.2	73%	0.727	71%	0.712	S	S	*	*			trans	97.3	113.9	-160.4	70.7	0	0	0	0	114.1
1018	T	27.9	Very low	30.3	Very low	114 Å²	114	134.2 Å²	134.2	70%	0.699	72%	0.717	S	S	*	*			cis	96.6	96.4	28.1	70.3	0	0	0	0	115.2
1019	V	31.2	Very low	30.5	Very low	130 Å²	130	132.3 Å²	132.3	79%	0.788	71%	0.713	S	S	*	*			trans	-142.5	101.6	151.7	180	0	0	0	0	109.3
1020	N	31.4	Very low	30.6	Very low	132 Å²	132	133.5 Å²	133.5	71%	0.706	72%	0.718	S	S	*	*				43.2	144.5	124.7	-54.9	-13.3	0	0	0	120.9
1021	T	32.8	Very low	31.1	Very low	121 Å²	121	135 Å²	135	74%	0.742	73%	0.73	S	S	*	*			cis	-174.6	-172.5	-11.1	32.5	0	0	0	0	107.4
1022	P	34.7	Very low	31.3	Very low	101 Å²	101	134.3 Å²	134.3	66%	0.656	75%	0.749	S	S	*	*				-135.2	-176	-67.9	42.5	-25.6	0	0	0	114.2
1023	S	32.5	Very low	31.2	Very low	107 Å²	107	136 Å²	136	75%	0.748	76%	0.758	S	S	*	*			trans	68.7	158.1	152.1	75.9	0	0	0	0	118.1
1024	S	33.1	Very low	31.3	Very low	97 Å²	97	139.4 Å²	139.4	68%	0.678	77%	0.767	S	S	*	*			cis	-165.9	166.9	-1.6	22.6	0	0	0	0	108.3
1025	R	31.8	Very low	31.3	Very low	211 Å²	211	135 Å²	135	80%	0.796	76%	0.764	S	S	*	*			cis	-168.6	172.2	-14.9	-99.4	171.2	-178.9	177.6	1.8	106.4
1026	H	33.7	Very low	31.3	Very low	165 Å²	165	135.3 Å²	135.3	76%	0.764	77%	0.765	S	S	*	*			trans	66.3	125.7	170.1	-51.9	-72.7	0	0	0	116.5
1027	S	29.2	Very low	31.3	Very low	104 Å²	104	140.1 Å²	140.1	73%	0.727	77%	0.773	S	S	*	*			cis	72.1	90.8	5.2	174	0	0	0	0	118.4
1028	T	33.9	Very low	31.3	Very low	137 Å²	137	143 Å²	143	84%	0.84	78%	0.78	S	S	*	*				-176.3	163.7	116	33.2	0	0	0	0	109
1029	K	32.5	Very low	31.4	Very low	171 Å²	171	142.1 Å²	142.1	74%	0.743	78%	0.776	S	S	*	*			cis	151.1	131.9	-29.3	-147	179.7	-173.5	-179.5	0	106.7
1030	F	31.7	Very low	31.4	Very low	185 Å²	185	145 Å²	145	81%	0.811	78%	0.783	S	S	*	*			trans	77.2	158.2	168.3	-70.8	-55.7	0	0	0	119.5
1031	P	36.6	Very low	31.5	Very low	123 Å²	123	144.8 Å²	144.8	80%	0.799	79%	0.787	S	S	*	*			trans	-129.8	164.6	-135.9	42.5	-26.9	0	0	0	116.4
1032	G	31.8	Very low	31.3	Very low	77 Å²	77	145.2 Å²	145.2	79%	0.794	79%	0.79	S	S	*	*			trans	-162.3	141.8	171.7	0	0	0	0	0	113
1033	T	27.4	Very low	31.2	Very low	135 Å²	135	148.2 Å²	148.2	83%	0.828	80%	0.799	S	S	*	*			trans	-76.8	136.7	-179.5	44.7	0	0	0	0	112.9
1034	K	31.7	Very low	31.1	Very low	205 Å²	205	152.1 Å²	152.1	89%	0.891	80%	0.799	S	S	*	*				-179.4	163.6	118.6	-99.6	169.3	-178	179.1	0	113.9
1035	T	26.1	Very low	31	Very low	128 Å²	128	151 Å²	151	79%	0.785	79%	0.791	S	S	*	*			trans	-67.1	144.5	-178.8	-41.7	0	0	0	0	113.7
1036	I	30.9	Very low	31.1	Very low	164 Å²	164	148.7 Å²	148.7	84%	0.841	79%	0.789	S	S	*	*			trans	-163.7	150.7	141.3	-102.7	151.2	0	0	0	109.5
1037	R	26.5	Very low	31	Very low	232 Å²	232	148.1 Å²	148.1	88%	0.875	79%	0.792	S	S	*	*			trans	-91	153.5	174.4	-70.3	171.3	166	157.8	-7.6	110.3
1038	L	30.1	Very low	31.4	Very low	164 Å²	164	148.6 Å²	148.6	86%	0.859	79%	0.792	S	S	*	*			trans	172.1	158.6	148.9	-96.1	165.8	0	0	0	108.6
1039	P	30.4	Very low	31.3	Very low	96 Å²	96	148.7 Å²	148.7	62%	0.623	79%	0.787	S	S	*	*				-118.3	146.7	-64.3	32.1	-17.5	0	0	0	112.7
1040	M	30	Very low	31.1	Very low	189 Å²	189	150.8 Å²	150.8	93%	0.931	80%	0.796	S	S	*	*			trans	-91.5	99.2	163.3	-85	-74.9	-72.6	0	0	109
1041	T	33.4	Very low	31.1	Very low	128 Å²	128	148.7 Å²	148.7	79%	0.785	79%	0.792	S	S	*	*			trans	-82.6	124.5	176.8	46.2	0	0	0	0	111.5
1042	T	29.6	Very low	30.8	Very low	131 Å²	131	153 Å²	153	80%	0.804	79%	0.793	S	S	*	*			trans	-81.9	132.6	-172.5	46.1	0	0	0	0	114.7
1043	L	31.4	Very low	30.8	Very low	163 Å²	163	155.7 Å²	155.7	85%	0.853	79%	0.789	S	S	*	*			trans	-150.2	139.4	152.3	-74.3	-177.4	0	0	0	108.2
1044	Y	31.5	Very low	31	Very low	189 Å²	189	155.8 Å²	155.8	74%	0.741	78%	0.784	S	S	*	*			cis	-154.5	179.9	-16.5	-161.9	-121.7	0	0	0	111
1045	S	31.3	Very low	31.1	Very low	74 Å²	74	154 Å²	154	52%	0.517	78%	0.779	S	S	.	*			trans	-81.8	178.5	-179.9	51.1	0	0	0	0	113.1
1046	Q	32.6	Very low	31.4	Very low	163 Å²	163	153.2 Å²	153.2	76%	0.762	78%	0.779	S	S	*	*			cis	-152.7	150.2	34.2	-63.9	177.2	-20.8	0	0	115
1047	D	33.4	Very low	31.5	Very low	152 Å²	152	150.1 Å²	150.1	81%	0.813	78%	0.778	S	S	*	*			trans	-77.4	168.3	150.4	-68.5	-62.7	0	0	0	110.6
1048	P	36.9	Very low	31.8	Very low	114 Å²	114	143.7 Å²	143.7	74%	0.74	77%	0.774	S	S	*	*				-142.5	127	125.2	30.2	-13.1	0	0	0	116.9
1049	L	32	Very low	31.9	Very low	140 Å²	140	140.6 Å²	140.6	73%	0.733	77%	0.772	S	S	*	*				59.9	114.1	128.3	-55.7	175.5	0	0	0	120.8	I1051	L1049-I1051 HydrophobicContact CD2-CD1 4.08Å; L1049-I1051 HydrophobicContact CD2-CG1 4.37Å
1050	F	27.9	Very low	32	Very low	214 Å²	214	140.6 Å²	140.6	94%	0.939	78%	0.781	S	S	*	*			trans	-98.4	114.8	139.1	-106.2	-93.8	0	0	0	108.9
1051	I	32.4	Very low	32.1	Very low	142 Å²	142	136.4 Å²	136.4	73%	0.728	78%	0.776	S	S	*	*			trans	-129.5	141	163.4	-64.9	179.9	0	0	0	107	L1049	L1049-I1051 HydrophobicContact CD2-CD1 4.08Å; L1049-I1051 HydrophobicContact CD2-CG1 4.37Å
1052	R	30	Very low	32.1	Very low	214 Å²	214	137.1 Å²	137.1	81%	0.808	78%	0.78	S	S	*	*			trans	-140.7	130.4	-176.5	-152	-173.6	-170.8	-178.6	5.1	111.4
1053	N	30.8	Very low	32.1	Very low	132 Å²	132	140.5 Å²	140.5	71%	0.706	78%	0.783	S	S	*	*			trans	61.9	120.4	170.5	-56.8	-6.8	0	0	0	115
1054	N	32.3	Very low	32.3	Very low	137 Å²	137	138.9 Å²	138.9	73%	0.733	78%	0.782	S	S	*	*				-160.3	154.5	68	-106.6	-25.6	0	0	0	115.2
1055	Q	33.1	Very low	32.4	Very low	168 Å²	168	135.5 Å²	135.5	79%	0.785	79%	0.787	S	S	*	*			trans	71.2	124.3	149.6	-67.9	172.5	1	0	0	122.1
1056	S	33.3	Very low	32.4	Very low	112 Å²	112	136.9 Å²	136.9	78%	0.783	80%	0.796	S	S	*	*			trans	69	113.6	141.3	55.5	0	0	0	0	123.4
1057	A	32.5	Very low	32.5	Very low	99 Å²	99	135 Å²	135	82%	0.818	80%	0.798	S	S	*	*				96.9	136.7	128.2	0	0	0	0	0	121.9
1058	A	32.4	Very low	32.2	Very low	97 Å²	97	133.5 Å²	133.5	80%	0.802	79%	0.794	S	S	*	*			trans	69	110.1	153.7	0	0	0	0	0	122.4
1059	A	32.7	Very low	31.9	Very low	99 Å²	99	133.6 Å²	133.6	82%	0.818	79%	0.793	S	S	*	*			trans	67.7	118.7	130.9	0	0	0	0	0	123.6
1060	A	33.3	Very low	31.6	Very low	96 Å²	96	132.8 Å²	132.8	79%	0.793	79%	0.794	S	S	*	*			trans	62.3	86.8	131.9	0	0	0	0	0	122.5
1061	A	30.8	Very low	31.6	Very low	101 Å²	101	132.4 Å²	132.4	84%	0.835	79%	0.787	S	S	*	*				54.4	89.2	123.1	0	0	0	0	0	122.2
1062	V	33.2	Very low	31.4	Very low	142 Å²	142	130.5 Å²	130.5	86%	0.861	79%	0.787	S	S	*	*			trans	-139.3	149.4	146.3	-179.1	0	0	0	0	109.6
1063	K	30.9	Very low	31.5	Very low	203 Å²	203	126.3 Å²	126.3	88%	0.883	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-102.8	128.5	171.3	-77	-177.3	178.4	176	0	111.7
1064	P	35.3	Very low	31.3	Very low	128 Å²	128	126.8 Å²	126.8	83%	0.831	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-86.2	156.2	162.4	-8.6	27.2	0	0	0	112.6
1065	S	33.6	Very low	31.2	Very low	119 Å²	119	129.7 Å²	129.7	83%	0.832	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-94.2	156.4	178.8	48.9	0	0	0	0	113.5
1066	S	31	Very low	30.8	Very low	102 Å²	102	127.8 Å²	127.8	71%	0.713	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-85.9	139.3	-180	50.8	0	0	0	0	113.8
1067	P	34.4	Very low	30.6	Very low	125 Å²	125	127.7 Å²	127.7	81%	0.812	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-72.1	137.1	174.6	30.4	-34.4	0	0	0	111.7
1068	T	28.5	Very low	30.4	Very low	119 Å²	119	134.3 Å²	134.3	73%	0.73	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-101.6	124.1	177.3	-63	0	0	0	0	110.5
1069	V	29.1	Very low	30.3	Very low	117 Å²	117	136.1 Å²	136.1	71%	0.709	79%	0.788	S	S	*	*			trans	-103.7	102.4	170.7	-179.9	0	0	0	0	109.1	Y1071	V1069-Y1071 HydrophobicContact CG1-CD2 4.07Å; V1069-Y1071 HydrophobicContact CG1-CE2 3.77Å; V1069-Y1071 PolarHBondContact O-N 3.11Å
1070	T	26.6	Very low	30.5	Very low	122 Å²	122	135.2 Å²	135.2	75%	0.748	78%	0.775	S	S	*	*			trans	-82.4	96.1	-172.8	-51.1	0	0	0	0	112	S1072	T1070-S1072 PolarHBondContact O-N 3.1Å
1071	Y	28	Very low	30.3	Very low	206 Å²	206	138.8 Å²	138.8	81%	0.808	77%	0.768	S	S	*	*			trans	-83.1	109.4	165.1	-81.8	-82.6	0	0	0	110.9	V1069 V1073	V1069-Y1071 HydrophobicContact CG1-CD2 4.07Å; V1069-Y1071 HydrophobicContact CG1-CE2 3.77Å; V1069-Y1071 PolarHBondContact O-N 3.11Å; Y1071-V1073 PolarHBondContact O-N 3.08Å
1072	S	27.4	Very low	30.3	Very low	102 Å²	102	138.9 Å²	138.9	71%	0.713	75%	0.75	S	S	*	*			trans	-69.7	106.4	178.5	55.4	0	0	0	0	112	T1070 N1074	T1070-S1072 PolarHBondContact O-N 3.1Å; S1072-N1074 PolarHBondContact O-N 3.46Å; S1072-N1074 VanDerWaalsContact O-N 3.09Å
1073	V	31.6	Very low	30.6	Very low	126 Å²	126	134 Å²	134	76%	0.764	72%	0.721	S	S	*	*			trans	-78	92.5	-179.9	-177.2	0	0	0	0	111.3	Y1071 K1075	Y1071-V1073 PolarHBondContact O-N 3.08Å; V1073-K1075 PolarHBondContact O-N 2.89Å; V1073-K1075 VanDerWaalsContact O-N 3.16Å
1074	N	28.3	Very low	31	Very low	143 Å²	143	130.1 Å²	130.1	77%	0.765	70%	0.701	S	S	*	*			trans	-68.7	106.1	168.7	-95.4	-17.5	0	0	0	110.8	S1072 T1076	S1072-N1074 PolarHBondContact O-N 3.46Å; S1072-N1074 VanDerWaalsContact O-N 3.09Å; N1074-T1076 VanDerWaalsContact C-N 3.26Å; N1074-T1076 PolarHBondContact O-N 2.93Å
1075	K	28.8	Very low	31.2	Very low	197 Å²	197	125.7 Å²	125.7	86%	0.857	67%	0.673	S	S	*	*			trans	-74.6	58	-178.5	-73.6	-176.4	173.3	175.4	0	114.1	V1073	V1073-K1075 PolarHBondContact O-N 2.89Å; V1073-K1075 VanDerWaalsContact O-N 3.16Å
1076	T	25.6	Very low	31.6	Very low	129 Å²	129	121.4 Å²	121.4	79%	0.791	64%	0.642	S	S	*	*			trans	-147.2	79.1	172.5	52	0	0	0	0	113.6	N1074	N1074-T1076 VanDerWaalsContact C-N 3.26Å; N1074-T1076 PolarHBondContact O-N 2.93Å
1077	S	28.9	Very low	32.5	Very low	110 Å²	110	118.3 Å²	118.3	77%	0.769	61%	0.614	S	S	*	*			trans	-146.9	118.9	166.2	58.4	0	0	0	0	112.3	E1079	S1077-E1079 PolarHBondContact O-N 3.39Å
1078	R	28.8	Very low	33	Very low	237 Å²	237	113.6 Å²	113.6	89%	0.894	59%	0.586	S	S	*	*			trans	-90.2	92	172	-78.3	175.6	164.1	168.4	-5	109.8
1079	E	29.8	Very low	33.8	Very low	135 Å²	135	112.4 Å²	112.4	63%	0.631	57%	0.568	S	S	*	*			trans	-130.4	91.5	174.6	-90.6	-63.9	174.1	0	0	113.2	S1077	S1077-E1079 PolarHBondContact O-N 3.39Å
1080	P	37.5	Very low	34.7	Very low	81 Å²	81	108.1 Å²	108.1	53%	0.526	55%	0.545	S	S	.	.	S	Bend	trans	-135.3	3.8	150.8	40.3	-30.9	0	0	0	113.5
1081	Y	27.9	Very low	36	Very low	170 Å²	170	102.9 Å²	102.9	67%	0.667	51%	0.512	S	S	*	.	S	Bend	trans	-90.8	-21.8	-170.1	-76	-72.5	0	0	0	114.1
1082	F	32.1	Very low	37	Very low	103 Å²	103	96.3 Å²	96.3	45%	0.452	49%	0.489	S	S	.	.	S	Bend	trans	-87.5	-40.7	-167.2	-139.3	-124.1	0	0	0	113.7	Y213 R1084 S1085	Y213-F1082 AromaticContact CE2-CD1 3.47Å; Y213-F1082 HydrophobicContact CE2-CD1 3.47Å; Y213-F1082 VanDerWaalsContact CE2-CD1 3.47Å; Y213-F1082 AromaticContact CE2-CE1 3.66Å; Y213-F1082 HydrophobicContact CE2-CE1 3.66Å; Y213-F1082 HydrophobicContact CE2-CG 4.44Å; Y213-F1082 AromaticContact CZ-CD1 3.72Å; Y213-F1082 WeakPolarHBondContact OH-CB 3.34Å; Y213-F1082 WeakPolarHBondContact OH-CD1 3.09Å; Y213-F1082 PolarHBondContact OH-O 3.22Å; Y213-F1082 VanDerWaalsContact OH-O 3.12Å; F1082-R1084 VanDerWaalsContact C-N 3.29Å; F1082-R1084 PolarHBondContact O-N 3.44Å; F1082-S1085 WeakPolarHBondContact O-CA 3.48Å; F1082-S1085 VanDerWaalsContact O-CB 3.24Å; F1082-S1085 WeakPolarHBondContact O-CB 3.42Å; F1082-S1085 PolarHBondContact O-N 2.84Å; F1082-S1085 PolarHBondContact O-OG 3.35Å
1083	T	38	Very low	37.7	Very low	40 Å²	40	95.4 Å²	95.4	25%	0.245	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-46	176.8	52.5	0	0	0	0	111.9	E55 Y213 S1085 V1086 R1087	E55-T1083 PolarHBondContact OE1-OG1 3.29Å; E55-T1083 VanDerWaalsContact OE1-OG1 3.08Å; Y213-T1083 PolarHBondContact OH-N 3.44Å; Y213-T1083 VanDerWaalsContact OH-N 3.17Å; T1083-S1085 PolarHBondContact O-N 3.45Å; T1083-S1085 VanDerWaalsContact O-N 3.07Å; T1083-V1086 PolarHBondContact O-N 3.21Å; T1083-V1086 VanDerWaalsContact O-N 3.1Å; T1083-R1087 PolarHBondContact O-N 3.01Å
1084	R	39.1	Very low	38.4	Very low	122 Å²	122	89.9 Å²	89.9	46%	0.46	44%	0.443	S	S	.	.	H	α-helix	trans	-46.3	-36.5	172.2	-160.6	-179.9	-167.2	-150.7	1.8	112.8	N56 F1082 V1086 A1088	N56-R1084 PolarHBondContact ND2-NE 3.08Å; N56-R1084 PolarHBondContact ND2-NH2 2.71Å; N56-R1084 PolarHBondContact OD1-NE 2.72Å; N56-R1084 VanDerWaalsContact OD1-NE 3.09Å; N56-R1084 PolarHBondContact OD1-NH2 2.99Å; F1082-R1084 VanDerWaalsContact C-N 3.29Å; F1082-R1084 PolarHBondContact O-N 3.44Å; R1084-V1086 PolarHBondContact O-N 3.06Å; R1084-A1088 WeakPolarHBondContact O-CB 3.44Å; R1084-A1088 PolarHBondContact O-N 3.16Å
1085	S	40.4	Very low	39.1	Very low	34 Å²	34	86.3 Å²	86.3	24%	0.238	42%	0.422	C	S	.	.	H	α-helix	trans	-76.1	-19.2	-174.5	89.3	0	0	0	0	115	F1082 T1083 R1089	F1082-S1085 WeakPolarHBondContact O-CA 3.48Å; F1082-S1085 VanDerWaalsContact O-CB 3.24Å; F1082-S1085 WeakPolarHBondContact O-CB 3.42Å; F1082-S1085 PolarHBondContact O-N 2.84Å; F1082-S1085 PolarHBondContact O-OG 3.35Å; T1083-S1085 PolarHBondContact O-N 3.45Å; T1083-S1085 VanDerWaalsContact O-N 3.07Å; S1085-R1089 WeakPolarHBondContact O-CB 3.47Å; S1085-R1089 PolarHBondContact O-N 3.39Å; S1085-R1089 PolarHBondContact O-NE 3.24Å; S1085-R1089 PolarHBondContact OG-NH2 2.9Å
1086	V	41.7	Very low	39.8	Very low	30 Å²	30	79.2 Å²	79.2	18%	0.182	40%	0.396	C	S	.	.	H	α-helix	trans	-98	-49.2	-178.6	177.4	0	0	0	0	111.2	V184 Y213 T1083 R1084 A1088 R1089 A1090	V184-V1086 HydrophobicContact CG1-CG1 4.45Å; Y213-V1086 HydrophobicContact CD1-CG2 4.08Å; Y213-V1086 HydrophobicContact CD2-CG2 3.35Å; Y213-V1086 HydrophobicContact CE1-CG2 4.08Å; Y213-V1086 HydrophobicContact CE2-CG2 3.31Å; Y213-V1086 HydrophobicContact CG-CG2 3.72Å; T1083-V1086 PolarHBondContact O-N 3.21Å; T1083-V1086 VanDerWaalsContact O-N 3.1Å; R1084-V1086 PolarHBondContact O-N 3.06Å; V1086-A1088 PolarHBondContact O-N 3.31Å; V1086-R1089 WeakPolarHBondContact O-CA 3.33Å; V1086-R1089 WeakPolarHBondContact O-CB 3.15Å; V1086-R1089 PolarHBondContact O-N 3.29Å; V1086-A1090 PolarHBondContact O-N 3.47Å
1087	R	50.3	Low	40.5	Very low	36 Å²	36	76.1 Å²	76.1	14%	0.136	37%	0.374	C	S	.	.	H	α-helix	trans	-54.2	-43.9	171.9	-82.3	-178.4	-179.4	156.4	1.6	110.7	E55 F57 E182 T1083	E55-R1087 IonicContact OE2-CZ 3.61Å; E55-R1087 IonicContact OE2-NH1 2.7Å; E55-R1087 PolarHBondContact OE2-NH1 3.13Å; F57-R1087 HydrophobicContact CD1-CB 3.76Å; F57-R1087 HydrophobicContact CD1-CG 4.45Å; F57-R1087 HydrophobicContact CE1-CB 3.55Å; F57-R1087 HydrophobicContact CE1-CG 3.74Å; F57-R1087 HydrophobicContact CZ-CB 4.41Å; F57-R1087 HydrophobicContact CZ-CG 4.24Å; E182-R1087 PolarHBondContact O-NH2 2.9Å; T1083-R1087 PolarHBondContact O-N 3.01Å
1088	A	43.8	Very low	41.1	Very low	26 Å²	26	72.8 Å²	72.8	22%	0.215	35%	0.348	C	S	.	.	H	α-helix	trans	-68.5	-31	171.9	0	0	0	0	0	114.3	R1084 V1086 H1092	R1084-A1088 WeakPolarHBondContact O-CB 3.44Å; R1084-A1088 PolarHBondContact O-N 3.16Å; V1086-A1088 PolarHBondContact O-N 3.31Å; A1088-H1092 VanDerWaalsContact O-CB 3.26Å; A1088-H1092 WeakPolarHBondContact O-CB 3.39Å; A1088-H1092 PolarHBondContact O-N 3.47Å
1089	R	46.1	Very low	41.5	Very low	94 Å²	94	63.9 Å²	63.9	36%	0.355	32%	0.322	S	S	.	.	H	α-helix	trans	-70.5	-36.6	176.2	-117.7	175.6	-71.1	-166.5	-0.4	112.8	S1085 V1086 L1091 H1092 N1093	S1085-R1089 WeakPolarHBondContact O-CB 3.47Å; S1085-R1089 PolarHBondContact O-N 3.39Å; S1085-R1089 PolarHBondContact O-NE 3.24Å; S1085-R1089 PolarHBondContact OG-NH2 2.9Å; V1086-R1089 WeakPolarHBondContact O-CA 3.33Å; V1086-R1089 WeakPolarHBondContact O-CB 3.15Å; V1086-R1089 PolarHBondContact O-N 3.29Å; R1089-L1091 VanDerWaalsContact C-N 3.3Å; R1089-L1091 PolarHBondContact O-N 2.99Å; R1089-H1092 PolarHBondContact O-N 2.97Å; R1089-N1093 WeakPolarHBondContact O-CB 3.36Å; R1089-N1093 PolarHBondContact O-N 3.19Å
1090	A	48.8	Very low	42	Very low	27 Å²	27	62.6 Å²	62.6	22%	0.223	32%	0.319	C	S	.	.	H	α-helix	trans	-59.2	-44.8	176.4	0	0	0	0	0	110.7	K288 A289 V1086 S1094	K288-A1090 PolarHBondContact NZ-O 3.12Å; A289-A1090 HydrophobicContact CB-CB 4.1Å; V1086-A1090 PolarHBondContact O-N 3.47Å; A1090-S1094 VanDerWaalsContact O-CB 3.31Å; A1090-S1094 WeakPolarHBondContact O-CB 3.08Å; A1090-S1094 PolarHBondContact O-N 3.2Å
1091	L	54.2	Low	42	Very low	13 Å²	13	63.7 Å²	63.7	7%	0.068	32%	0.32	C	S	.	.	H	α-helix	trans	-70.9	-42.6	173.9	-63.4	-179.7	0	0	0	113.5	F57 A141 F143 L291 I326 R1089 N1093 S1094 M1095	F57-L1091 HydrophobicContact CB-CD1 3.83Å; F57-L1091 HydrophobicContact CD1-CD1 3.63Å; F57-L1091 HydrophobicContact CD1-CG 4.44Å; F57-L1091 HydrophobicContact CG-CD1 4.09Å; A141-L1091 HydrophobicContact CB-CD1 4.31Å; F143-L1091 HydrophobicContact CE2-CB 4.15Å; F143-L1091 HydrophobicContact CZ-CB 4.36Å; L291-L1091 HydrophobicContact CD1-CD2 4.48Å; I326-L1091 HydrophobicContact CD1-CD2 3.64Å; R1089-L1091 VanDerWaalsContact C-N 3.3Å; R1089-L1091 PolarHBondContact O-N 2.99Å; L1091-N1093 PolarHBondContact O-N 3.15Å; L1091-S1094 WeakPolarHBondContact O-CA 3.27Å; L1091-S1094 WeakPolarHBondContact O-CB 2.94Å; L1091-S1094 PolarHBondContact O-N 2.63Å; L1091-M1095 PolarHBondContact O-N 3.44Å; L1091-M1095 VanDerWaalsContact O-N 3.08Å
1092	H	48.5	Very low	42.5	Very low	68 Å²	68	60.4 Å²	60.4	32%	0.315	31%	0.313	S	S	.	.	H	α-helix	trans	-57.6	-53.1	176.5	177.3	-82.8	0	0	0	110.8	F143 A1088 R1089 S1094 M1095 T1096	F143-H1092 HydrophobicContact CZ-CB 4.11Å; A1088-H1092 VanDerWaalsContact O-CB 3.26Å; A1088-H1092 WeakPolarHBondContact O-CB 3.39Å; A1088-H1092 PolarHBondContact O-N 3.47Å; R1089-H1092 PolarHBondContact O-N 2.97Å; H1092-S1094 PolarHBondContact O-N 3.48Å; H1092-S1094 VanDerWaalsContact O-N 3.08Å; H1092-M1095 PolarHBondContact O-N 3.01Å; H1092-T1096 WeakPolarHBondContact O-CG2 3.4Å; H1092-T1096 PolarHBondContact O-N 2.74Å; H1092-T1096 VanDerWaalsContact O-N 3.15Å
1093	N	41.4	Very low	42.9	Very low	82 Å²	82	60.8 Å²	60.8	44%	0.439	32%	0.319	S	S	.	.	H	α-helix	trans	-72.8	0.1	178	-62.5	2.5	0	0	0	112.5	K288 R1089 L1091 T1096	K288-N1093 VanDerWaalsContact NZ-CB 3.33Å; K288-N1093 PolarHBondContact NZ-O 3.33Å; R1089-N1093 WeakPolarHBondContact O-CB 3.36Å; R1089-N1093 PolarHBondContact O-N 3.19Å; L1091-N1093 PolarHBondContact O-N 3.15Å; N1093-T1096 WeakPolarHBondContact CA-OG1 3.45Å
1094	S	46.5	Very low	42.9	Very low	11 Å²	11	61.9 Å²	61.9	8%	0.077	34%	0.338	C	S	.	.	H	α-helix	trans	-88.7	-46.8	172.6	176	0	0	0	0	109.4	D260 A1090 L1091 H1092	D260-S1094 PolarHBondContact OD1-OG 3.49Å; D260-S1094 WeakPolarHBondContact OD2-CB 3.23Å; D260-S1094 PolarHBondContact OD2-OG 2.99Å; A1090-S1094 VanDerWaalsContact O-CB 3.31Å; A1090-S1094 WeakPolarHBondContact O-CB 3.08Å; A1090-S1094 PolarHBondContact O-N 3.2Å; L1091-S1094 WeakPolarHBondContact O-CA 3.27Å; L1091-S1094 WeakPolarHBondContact O-CB 2.94Å; L1091-S1094 PolarHBondContact O-N 2.63Å; H1092-S1094 PolarHBondContact O-N 3.48Å; H1092-S1094 VanDerWaalsContact O-N 3.08Å
1095	M	44.1	Very low	42.7	Very low	67 Å²	67	59.8 Å²	59.8	33%	0.33	34%	0.343	S	S	.	.	H	α-helix	trans	-81.5	-16.4	-179	-56.9	-148.3	77.9	0	0	114.5	F143 L1091 H1092 D1097 L1098 S1099	F143-M1095 HydrophobicContact CD2-CB 4.38Å; F143-M1095 HydrophobicContact CD2-CG 4.1Å; F143-M1095 HydrophobicContact CD2-SD 3.81Å; F143-M1095 HydrophobicContact CE2-CG 4.36Å; L1091-M1095 PolarHBondContact O-N 3.44Å; L1091-M1095 VanDerWaalsContact O-N 3.08Å; H1092-M1095 PolarHBondContact O-N 3.01Å; M1095-D1097 VanDerWaalsContact C-N 3.31Å; M1095-D1097 PolarHBondContact O-N 2.94Å; M1095-L1098 HydrophobicContact CE-CD1 3.8Å; M1095-L1098 WeakPolarHBondContact O-CA 3.44Å; M1095-L1098 VanDerWaalsContact O-CB 3.31Å; M1095-L1098 WeakPolarHBondContact O-CB 3.23Å; M1095-L1098 PolarHBondContact O-N 3.37Å; M1095-S1099 PolarHBondContact O-N 2.73Å
1096	T	43.1	Very low	42.4	Very low	48 Å²	48	65.3 Å²	65.3	29%	0.294	36%	0.364	S	S	.	.	H	α-helix	trans	-64.1	-32.2	170.6	50.3	0	0	0	0	113.5	H1092 N1093 L1098 S1099 N1100	H1092-T1096 WeakPolarHBondContact O-CG2 3.4Å; H1092-T1096 PolarHBondContact O-N 2.74Å; H1092-T1096 VanDerWaalsContact O-N 3.15Å; N1093-T1096 WeakPolarHBondContact CA-OG1 3.45Å; T1096-L1098 VanDerWaalsContact C-N 3.25Å; T1096-L1098 PolarHBondContact O-N 2.96Å; T1096-S1099 WeakPolarHBondContact CA-OG 3.39Å; T1096-S1099 PolarHBondContact O-OG 3.42Å; T1096-N1100 WeakPolarHBondContact O-CB 3.34Å; T1096-N1100 PolarHBondContact O-N 3.27Å; T1096-N1100 VanDerWaalsContact O-N 3.15Å; T1096-N1100 PolarHBondContact O-ND2 2.8Å; T1096-N1100 PolarHBondContact O-OD1 3Å
1097	D	39.9	Very low	41.9	Very low	64 Å²	64	71 Å²	71	34%	0.342	39%	0.393	S	S	.	.	H	α-helix	trans	-65.3	-35.2	171	-87.4	10.2	0	0	0	110.4	K238 M1095 N1100 L1101	K238-D1097 IonicContact NZ-OD2 2.73Å; K238-D1097 PolarHBondContact NZ-OD2 3.16Å; M1095-D1097 VanDerWaalsContact C-N 3.31Å; M1095-D1097 PolarHBondContact O-N 2.94Å; D1097-N1100 PolarHBondContact O-N 2.85Å; D1097-L1101 WeakPolarHBondContact O-CD1 3.4Å; D1097-L1101 PolarHBondContact O-N 3.27Å
1098	L	41	Very low	40.8	Very low	40 Å²	40	73.8 Å²	73.8	21%	0.209	42%	0.418	C	S	.	.	H	α-helix	trans	-73.2	-41.3	-179	-125.2	170.1	0	0	0	112.2	D260 M1095 T1096 N1100 L1101 L1102	D260-L1098 WeakPolarHBondContact O-CD1 3.36Å; M1095-L1098 HydrophobicContact CE-CD1 3.8Å; M1095-L1098 WeakPolarHBondContact O-CA 3.44Å; M1095-L1098 VanDerWaalsContact O-CB 3.31Å; M1095-L1098 WeakPolarHBondContact O-CB 3.23Å; M1095-L1098 PolarHBondContact O-N 3.37Å; T1096-L1098 VanDerWaalsContact C-N 3.25Å; T1096-L1098 PolarHBondContact O-N 2.96Å; L1098-N1100 VanDerWaalsContact C-N 3.3Å; L1098-N1100 PolarHBondContact O-N 2.94Å; L1098-L1101 PolarHBondContact O-N 3.36Å; L1098-L1102 HydrophobicContact CD2-CD1 3.8Å; L1098-L1102 HydrophobicContact CD2-CG 4.16Å; L1098-L1102 WeakPolarHBondContact O-CB 3.47Å; L1098-L1102 WeakPolarHBondContact O-CG 3.47Å; L1098-L1102 PolarHBondContact O-N 3.45Å
1099	S	38.1	Very low	40	Very low	51 Å²	51	79.8 Å²	79.8	36%	0.357	45%	0.446	S	S	.	.	H	α-helix	trans	-63.4	-37.7	171.3	58.6	0	0	0	0	111.8	M1095 T1096 L1102 I1103	M1095-S1099 PolarHBondContact O-N 2.73Å; T1096-S1099 WeakPolarHBondContact CA-OG 3.39Å; T1096-S1099 PolarHBondContact O-OG 3.42Å; S1099-L1102 PolarHBondContact O-N 2.88Å; S1099-I1103 WeakPolarHBondContact O-CB 3.45Å; S1099-I1103 WeakPolarHBondContact O-CD1 3.36Å; S1099-I1103 VanDerWaalsContact O-CG1 3.23Å; S1099-I1103 WeakPolarHBondContact O-CG1 3.23Å; S1099-I1103 PolarHBondContact O-N 3.41Å
1100	N	38.9	Very low	39.2	Very low	107 Å²	107	85 Å²	85	57%	0.572	47%	0.467	S	S	*	.	H	α-helix	trans	-69.4	-34.8	178.2	-68.8	-12.2	0	0	0	112.3	T1096 D1097 L1098 G1104	T1096-N1100 WeakPolarHBondContact O-CB 3.34Å; T1096-N1100 PolarHBondContact O-N 3.27Å; T1096-N1100 VanDerWaalsContact O-N 3.15Å; T1096-N1100 PolarHBondContact O-ND2 2.8Å; T1096-N1100 PolarHBondContact O-OD1 3Å; D1097-N1100 PolarHBondContact O-N 2.85Å; L1098-N1100 VanDerWaalsContact C-N 3.3Å; L1098-N1100 PolarHBondContact O-N 2.94Å; N1100-G1104 PolarHBondContact O-N 3Å; N1100-G1104 VanDerWaalsContact O-N 3.16Å
1101	L	38.7	Very low	38.4	Very low	104 Å²	104	89.2 Å²	89.2	55%	0.545	50%	0.495	S	S	.	.	H	α-helix	trans	-68	-49.2	170.1	-99.1	77.8	0	0	0	111.8	D1097 L1098 I1103 G1104 S1105	D1097-L1101 WeakPolarHBondContact O-CD1 3.4Å; D1097-L1101 PolarHBondContact O-N 3.27Å; L1098-L1101 PolarHBondContact O-N 3.36Å; L1101-I1103 VanDerWaalsContact C-N 3.31Å; L1101-I1103 PolarHBondContact O-N 3.25Å; L1101-G1104 CarbonylContact O-C 3.45Å; L1101-G1104 WeakPolarHBondContact O-CA 3.41Å; L1101-G1104 PolarHBondContact O-N 2.95Å; L1101-S1105 WeakPolarHBondContact O-CB 3.29Å; L1101-S1105 PolarHBondContact O-N 3.01Å; L1101-S1105 PolarHBondContact O-OG 2.99Å
1102	L	38	Very low	37.1	Very low	101 Å²	101	96.5 Å²	96.5	53%	0.529	53%	0.534	S	S	.	.	H	α-helix	trans	-65.7	-31	-176.5	-74.2	167.7	0	0	0	113.4	L1098 S1099	L1098-L1102 HydrophobicContact CD2-CD1 3.8Å; L1098-L1102 HydrophobicContact CD2-CG 4.16Å; L1098-L1102 WeakPolarHBondContact O-CB 3.47Å; L1098-L1102 WeakPolarHBondContact O-CG 3.47Å; L1098-L1102 PolarHBondContact O-N 3.45Å; S1099-L1102 PolarHBondContact O-N 2.88Å
1103	I	40.8	Very low	36.3	Very low	111 Å²	111	100.9 Å²	100.9	57%	0.569	56%	0.56	S	S	*	*	H	α-helix	trans	-75.2	-32.1	171.3	-66.4	166.6	0	0	0	110.8	S1099 L1101	S1099-I1103 WeakPolarHBondContact O-CB 3.45Å; S1099-I1103 WeakPolarHBondContact O-CD1 3.36Å; S1099-I1103 VanDerWaalsContact O-CG1 3.23Å; S1099-I1103 WeakPolarHBondContact O-CG1 3.23Å; S1099-I1103 PolarHBondContact O-N 3.41Å; L1101-I1103 VanDerWaalsContact C-N 3.31Å; L1101-I1103 PolarHBondContact O-N 3.25Å
1104	G	37.2	Very low	35.9	Very low	63 Å²	63	102.5 Å²	102.5	65%	0.649	58%	0.578	S	S	*	*	H	α-helix	trans	-77	-19.6	175.9	0	0	0	0	0	115.2	N1100 L1101	N1100-G1104 PolarHBondContact O-N 3Å; N1100-G1104 VanDerWaalsContact O-N 3.16Å; L1101-G1104 CarbonylContact O-C 3.45Å; L1101-G1104 WeakPolarHBondContact O-CA 3.41Å; L1101-G1104 PolarHBondContact O-N 2.95Å
1105	S	35.3	Very low	35.2	Very low	79 Å²	79	107.5 Å²	107.5	55%	0.552	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	16.8	-175	75	0	0	0	0	114.4	L1101	L1101-S1105 WeakPolarHBondContact O-CB 3.29Å; L1101-S1105 PolarHBondContact O-N 3.01Å; L1101-S1105 PolarHBondContact O-OG 2.99Å
1106	H	33.7	Very low	34.4	Very low	150 Å²	150	110.2 Å²	110.2	69%	0.694	64%	0.638	S	S	*	*	S	Bend	trans	-137	12.7	-176.6	-122.6	-57.7	0	0	0	114.4
1107	L	31.9	Very low	34	Very low	150 Å²	150	113.1 Å²	113.1	79%	0.785	66%	0.661	S	S	*	*			trans	-129.4	50.6	-177.6	-73.3	172.8	0	0	0	112.1
1108	S	27	Very low	33.6	Very low	93 Å²	93	115.1 Å²	115.1	65%	0.65	68%	0.68	S	S	*	*			trans	-142	105.7	165	56.1	0	0	0	0	108.5
1109	D	27.7	Very low	33.1	Very low	153 Å²	153	118 Å²	118	82%	0.818	70%	0.703	S	S	*	*			trans	154.7	156.4	154.7	-80.2	-16.8	0	0	0	110.5
1110	Y	29.5	Very low	32.7	Very low	203 Å²	203	120 Å²	120	80%	0.796	72%	0.717	S	S	*	*	S	Bend	trans	81	148.8	-172.2	-68	-88.3	0	0	0	118
1111	S	30.1	Very low	32.3	Very low	116 Å²	116	122.7 Å²	122.7	81%	0.811	73%	0.728	S	S	*	*			trans	55.4	85.6	-178.6	59.6	0	0	0	0	117.2
1112	N	28.5	Very low	31.7	Very low	165 Å²	165	122.5 Å²	122.5	88%	0.882	73%	0.732	S	S	*	*			trans	-135.6	109.8	147.9	-108.5	-16.8	0	0	0	107.9
1113	N	30.7	Very low	31.3	Very low	161 Å²	161	127.8 Å²	127.8	86%	0.861	75%	0.746	S	S	*	*			trans	-171.4	145.7	156.1	-113.6	-17.3	0	0	0	110.8
1114	S	33	Very low	30.8	Very low	115 Å²	115	128.7 Å²	128.7	80%	0.804	75%	0.752	S	S	*	*			trans	60.6	142.4	-169.8	74.7	0	0	0	0	115.1
1115	S	31.3	Very low	30.6	Very low	117 Å²	117	129.8 Å²	129.8	82%	0.818	75%	0.75	S	S	*	*			cis	-159.1	153.4	-20.7	46.2	0	0	0	0	108.3
1116	S	27.9	Very low	30.4	Very low	124 Å²	124	133.9 Å²	133.9	87%	0.867	77%	0.765	S	S	*	*			trans	-155.6	109.4	172.8	64.3	0	0	0	0	113.1
1117	S	34	Very low	30.5	Very low	109 Å²	109	131.9 Å²	131.9	76%	0.762	77%	0.765	S	S	*	*			trans	-135.1	123.3	160.8	51.7	0	0	0	0	109.1
1118	S	32.6	Very low	30.6	Very low	106 Å²	106	129.6 Å²	129.6	74%	0.741	76%	0.759	S	S	*	*			trans	1.9	145	142	48.8	0	0	0	0	119.3
1119	S	31.4	Very low	30.7	Very low	100 Å²	100	131.3 Å²	131.3	70%	0.699	77%	0.766	S	S	*	*			cis	-178.1	158.9	-2.4	43.2	0	0	0	0	113
1120	S	28.8	Very low	30.7	Very low	94 Å²	94	128.4 Å²	128.4	66%	0.657	76%	0.758	S	S	*	*			trans	67.5	148.1	148.5	66	0	0	0	0	121.3
1121	M	29.6	Very low	30.6	Very low	162 Å²	162	126.3 Å²	126.3	80%	0.798	76%	0.755	S	S	*	*			trans	69.1	150.3	163.3	-53.3	-39.4	-176.8	0	0	117.7
1122	T	27.8	Very low	30.5	Very low	101 Å²	101	127.2 Å²	127.2	62%	0.62	75%	0.751	S	S	*	*			cis	-171.2	148.6	-48.9	21	0	0	0	0	108.1
1123	Y	28.5	Very low	30.4	Very low	212 Å²	212	123.4 Å²	123.4	83%	0.831	74%	0.737	S	S	*	*			trans	64.2	160.1	174.6	-61.2	-73.2	0	0	0	114.5
1124	D	30.7	Very low	30.1	Very low	129 Å²	129	122.7 Å²	122.7	69%	0.69	73%	0.733	S	S	*	*			cis	-150.3	170.6	-3.8	-138.4	-49.3	0	0	0	113.4
1125	S	33.5	Very low	29.8	Very low	86 Å²	86	123 Å²	123	60%	0.601	73%	0.73	S	S	*	*			trans	57.5	94.5	141.4	-69.9	0	0	0	0	123.3
1126	L	29.6	Very low	29.5	Very low	166 Å²	166	122.2 Å²	122.2	87%	0.869	73%	0.725	S	S	*	*				69.9	150.8	119.8	-68.6	165.9	0	0	0	123.8
1127	P	36.1	Very low	29.5	Very low	108 Å²	108	121.6 Å²	121.6	70%	0.701	72%	0.716	S	S	*	*			trans	-106.6	-152.8	175.3	47.5	-38.5	0	0	0	110.5
1128	P	34.5	Very low	29.2	Very low	101 Å²	101	123.3 Å²	123.3	66%	0.656	72%	0.716	S	S	*	*			cis	-137.8	-150.6	-4.7	36.8	-12.1	0	0	0	114.2
1129	T	29.9	Very low	28.9	Very low	129 Å²	129	124.1 Å²	124.1	79%	0.791	71%	0.712	S	S	*	*			trans	79.3	153.4	168.6	74.5	0	0	0	0	117.3
1130	S	27	Very low	28.9	Very low	93 Å²	93	128.5 Å²	128.5	65%	0.65	71%	0.714	S	S	*	*			cis	-168.1	170	-30.6	58.8	0	0	0	0	110.9
1131	Q	28	Very low	28.9	Very low	158 Å²	158	129.2 Å²	129.2	74%	0.738	72%	0.715	S	S	*	*			trans	71.7	135.8	165.8	-59.8	-163	27.2	0	0	115.9
1132	N	26.6	Very low	28.8	Very low	135 Å²	135	126.5 Å²	126.5	72%	0.722	71%	0.712	S	S	*	*				67.7	138	106.5	-63.4	-19.1	0	0	0	114.9
1133	S	26.5	Very low	29.1	Very low	86 Å²	86	127.4 Å²	127.4	60%	0.601	72%	0.72	S	S	*	*			cis	-173.2	161.8	-6.5	47.1	0	0	0	0	110.9
1134	N	25.5	Very low	29.4	Very low	146 Å²	146	122.3 Å²	122.3	78%	0.781	72%	0.715	S	S	*	*			trans	67.5	167.8	154.4	-60.9	-19.4	0	0	0	118.9
1135	T	25.8	Very low	29.6	Very low	120 Å²	120	121.5 Å²	121.5	74%	0.736	72%	0.716	S	S	*	*			trans	51.8	110	161	46.7	0	0	0	0	118
1136	S	26.3	Very low	29.6	Very low	102 Å²	102	122.4 Å²	122.4	71%	0.713	72%	0.723	S	S	*	*			cis	73.1	165.7	46.6	88.8	0	0	0	0	115.1
1137	V	26.4	Very low	29.7	Very low	110 Å²	110	118.7 Å²	118.7	67%	0.667	71%	0.711	S	S	*	*			trans	86	108.5	-168.1	-175.1	0	0	0	0	110.8
1138	N	27.6	Very low	29.3	Very low	146 Å²	146	121.1 Å²	121.1	78%	0.781	72%	0.717	S	S	*	*			cis	95.8	174.9	40.2	-71.7	-16.2	0	0	0	112.7
1139	L	27.7	Very low	29.2	Very low	122 Å²	122	123.5 Å²	123.5	64%	0.639	72%	0.724	S	S	*	*			trans	85	124.2	177.5	-49.7	170.2	0	0	0	112.6
1140	Y	30.6	Very low	29.3	Very low	192 Å²	192	121.3 Å²	121.3	75%	0.753	71%	0.714	S	S	*	*			cis	-131.5	123.3	11.4	-91.1	-82.9	0	0	0	110.3
1141	T	28.3	Very low	29.6	Very low	110 Å²	110	123.4 Å²	123.4	68%	0.675	72%	0.717	S	S	*	*				65	147.5	97.8	66.3	0	0	0	0	116.1
1142	S	28.6	Very low	29.6	Very low	105 Å²	105	123.2 Å²	123.2	73%	0.734	72%	0.721	S	S	*	*			cis	-175	-161.6	-7.9	48.3	0	0	0	0	109
1143	P	32.8	Very low	29.9	Very low	120 Å²	120	121.6 Å²	121.6	78%	0.779	72%	0.72	S	S	*	*				-129	-167.5	-83.4	42.6	-25.2	0	0	0	114.1
1144	S	34.4	Very low	30	Very low	105 Å²	105	123.9 Å²	123.9	73%	0.734	73%	0.73	S	S	*	*			trans	-100.4	159.2	172.1	53.7	0	0	0	0	114.2
1145	P	36.2	Very low	30.3	Very low	111 Å²	111	121.1 Å²	121.1	72%	0.721	72%	0.722	S	S	*	*			trans	-116.8	155.4	136.2	3	19.3	0	0	0	110.5
1146	S	32.7	Very low	30.5	Very low	106 Å²	106	122 Å²	122	74%	0.741	72%	0.723	S	S	*	*			cis	76	144.6	38.3	102.6	0	0	0	0	113.1
1147	S	32.1	Very low	30.8	Very low	88 Å²	88	123.3 Å²	123.3	62%	0.615	72%	0.721	S	S	*	*			cis	-179.4	154	2.7	31.1	0	0	0	0	113.1
1148	L	28	Very low	30.9	Very low	158 Å²	158	122.6 Å²	122.6	83%	0.827	72%	0.717	S	S	*	*			trans	69.4	164.6	159.1	-56.9	154.4	0	0	0	117
1149	L	31.8	Very low	31	Very low	152 Å²	152	124.2 Å²	124.2	80%	0.796	72%	0.72	S	S	*	*			cis	-141.7	-148.6	3.3	-157.1	70.3	0	0	0	112.2
1150	S	31.8	Very low	31.1	Very low	83 Å²	83	124.5 Å²	124.5	58%	0.58	73%	0.727	S	S	*	*			trans	-80.2	179	-164.8	50.2	0	0	0	0	115.3
1151	D	33.2	Very low	31.3	Very low	136 Å²	136	120.4 Å²	120.4	73%	0.727	72%	0.724	S	S	*	*			cis	-156.3	-172.4	41.9	-101.3	-63.5	0	0	0	116.6
1152	L	28.7	Very low	31.2	Very low	155 Å²	155	122.5 Å²	122.5	81%	0.812	73%	0.73	S	S	*	*			trans	-64.3	167	-174.1	-51.1	102.3	0	0	0	114.2
1153	S	32.4	Very low	31.1	Very low	101 Å²	101	122.3 Å²	122.3	71%	0.706	73%	0.729	S	S	*	*			cis	-171.2	158.4	38.2	59	0	0	0	0	115.8
1154	V	29.9	Very low	30.8	Very low	133 Å²	133	126.3 Å²	126.3	81%	0.806	74%	0.735	S	S	*	*			trans	39.6	127.4	130.1	-179.1	0	0	0	0	118.1
1155	S	32	Very low	30.5	Very low	89 Å²	89	125.2 Å²	125.2	62%	0.622	73%	0.732	S	S	*	*			cis	-168.5	166.5	14.1	50.6	0	0	0	0	113.7
1156	N	29.8	Very low	30.1	Very low	139 Å²	139	125 Å²	125	74%	0.743	73%	0.733	S	S	*	*			trans	55.1	144	144.2	-61.2	-3.4	0	0	0	120.5
1157	N	30.9	Very low	30.1	Very low	128 Å²	128	127.6 Å²	127.6	68%	0.684	74%	0.738	S	S	*	*			cis	-156.4	163.3	5.5	-130.5	-3.5	0	0	0	113.6
1158	T	28.8	Very low	30.2	Very low	96 Å²	96	129.1 Å²	129.1	59%	0.589	75%	0.745	S	S	*	*			trans	6.1	146.8	147.7	56.3	0	0	0	0	121
1159	Q	30.6	Very low	30.3	Very low	180 Å²	180	130 Å²	130	84%	0.841	75%	0.748	S	S	*	*			cis	-165.5	176.4	6.6	-119.7	161.8	-0.2	0	0	112.3
1160	T	28.9	Very low	30.3	Very low	128 Å²	128	133.8 Å²	133.8	79%	0.785	75%	0.751	S	S	*	*			trans	-91.5	-174.6	172.2	61.2	0	0	0	0	111
1161	P	35.5	Very low	30.4	Very low	105 Å²	105	138.4 Å²	138.4	68%	0.682	76%	0.761	S	S	*	*			cis	-139.4	-162.4	-3.5	42.4	-21.9	0	0	0	115.4
1162	L	26.5	Very low	30.4	Very low	154 Å²	154	137.5 Å²	137.5	81%	0.806	75%	0.752	S	S	*	*			trans	73.1	111.5	150.5	-73.6	172.2	0	0	0	124.1
1163	S	25.7	Very low	30.7	Very low	101 Å²	101	137.7 Å²	137.7	71%	0.706	75%	0.747	S	S	*	*				94.9	142.7	123.1	85.9	0	0	0	0	124.1
1164	F	26.4	Very low	30.8	Very low	205 Å²	205	141 Å²	141	90%	0.899	74%	0.744	S	S	*	*			trans	55.5	137.5	152.5	-87.3	-78.5	0	0	0	125.8
1165	A	28.3	Very low	31	Very low	82 Å²	82	142.3 Å²	142.3	68%	0.678	74%	0.741	S	S	*	*			trans	86.2	115.7	140.3	0	0	0	0	0	123.8
1166	S	29	Very low	31.2	Very low	106 Å²	106	143.4 Å²	143.4	74%	0.741	75%	0.746	S	S	*	*			trans	41.5	129.6	136.9	59	0	0	0	0	125.1
1167	L	32.7	Very low	31.4	Very low	161 Å²	161	143.3 Å²	143.3	84%	0.843	75%	0.745	S	S	*	*				17.4	155	127.4	-63.9	171.3	0	0	0	121.2
1168	P	33.7	Very low	31.6	Very low	119 Å²	119	145.3 Å²	145.3	77%	0.773	75%	0.754	S	S	*	*			cis	-130.6	-155.3	-20.1	40.1	-21	0	0	0	111.5
1169	M	30.8	Very low	31.8	Very low	178 Å²	178	146.7 Å²	146.7	88%	0.877	76%	0.763	S	S	*	*			trans	-141.5	145.9	174.3	-114.4	-64.6	172.1	0	0	114.8
1170	R	31.6	Very low	32.1	Very low	230 Å²	230	146 Å²	146	87%	0.868	76%	0.757	S	S	*	*			trans	-155.7	142	171.8	-170.8	-179.9	-172.9	-175	2	108.9
1171	F	32.4	Very low	32.4	Very low	180 Å²	180	145.1 Å²	145.1	79%	0.789	75%	0.747	S	S	*	*			trans	-79.6	158.7	-174.8	-82.2	-95	0	0	0	115
1172	H	34.6	Very low	32.3	Very low	117 Å²	117	146 Å²	146	54%	0.542	75%	0.746	S	S	.	*			trans	-142.8	164.5	172.5	-105.6	-99.4	0	0	0	110.5	D727 H728	D727-H1172 IonicContact OD2-ND1 1.86Å; H728-H1172 PolarHBondContact CE1-O 3.42Å
1173	F	35.4	Very low	32.7	Very low	160 Å²	160	144.4 Å²	144.4	70%	0.702	74%	0.739	S	S	*	*			trans	-145.7	175.9	164.3	-113	-68.8	0	0	0	110.3	Y729	Y729-F1173 HydrophobicContact CE1-CE1 4.09Å; Y729-F1173 HydrophobicContact CE1-CZ 4.11Å; Y729-F1173 WeakPolarHBondContact OH-CD2 3.3Å; Y729-F1173 WeakPolarHBondContact OH-CE2 3.07Å; Y729-F1173 WeakPolarHBondContact OH-CZ 3.29Å
1174	R	32.9	Very low	33	Very low	169 Å²	169	147.2 Å²	147.2	64%	0.638	74%	0.741	S	S	*	*			trans	-99.8	145.4	-146.1	-68	176.9	162.8	172.6	-4.2	118.7	H728	H728-R1174 PolarHBondContact CD2-NE 2.89Å; H728-R1174 WeakPolarHBondContact NE2-CG 3.41Å
1175	H	34.2	Very low	33.4	Very low	161 Å²	161	142.8 Å²	142.8	75%	0.745	73%	0.726	S	S	*	*				18.7	159.2	116.8	-94.7	-45.9	0	0	0	122
1176	P	37.5	Very low	33.8	Very low	113 Å²	113	146.3 Å²	146.3	73%	0.734	73%	0.729	S	S	*	*			cis	-148.6	162.7	44.2	41.5	-20.7	0	0	0	121.8
1177	N	34	Very low	34.1	Very low	136 Å²	136	147.3 Å²	147.3	73%	0.727	72%	0.724	S	S	*	*			trans	42.2	132.8	142.1	-57.2	-5.5	0	0	0	125.1
1178	I	34.2	Very low	34.1	Very low	170 Å²	170	146.7 Å²	146.7	87%	0.872	72%	0.717	S	S	*	*				-167.4	171	119.6	-98.3	160.9	0	0	0	109
1179	T	34.1	Very low	34.2	Very low	125 Å²	125	151.5 Å²	151.5	77%	0.767	72%	0.721	S	S	*	*			trans	-133.6	-174.2	-170.6	60.2	0	0	0	0	111
1180	K	36.1	Very low	34.4	Very low	166 Å²	166	145.9 Å²	145.9	72%	0.722	71%	0.709	S	S	*	*			cis	-168.9	170.8	25.3	-148	-162.8	173.7	-157.3	0	113.1
1181	N	35.3	Very low	34.7	Very low	109 Å²	109	144.3 Å²	144.3	58%	0.583	71%	0.711	S	S	*	*			trans	63.4	111.4	149.1	-90.1	34.2	0	0	0	122.5
1182	N	33.1	Very low	35	Very low	124 Å²	124	140.3 Å²	140.3	66%	0.663	71%	0.705	S	S	*	*				80.6	146.9	115	-86.4	52.8	0	0	0	126.4
1183	D	35.6	Very low	35.1	Very low	120 Å²	120	139.4 Å²	139.4	64%	0.642	71%	0.712	S	S	*	*			trans	81.2	91.4	146	-56.1	-26.2	0	0	0	124.6
1184	Q	31.8	Very low	35	Very low	161 Å²	161	142.6 Å²	142.6	75%	0.752	72%	0.721	S	S	*	*				67.8	153.6	119.8	-66	-168	4.3	0	0	124.3
1185	N	35.2	Very low	35.2	Very low	112 Å²	112	138 Å²	138	60%	0.599	72%	0.719	S	S	*	*			trans	92.2	114.2	152.7	-65.5	-29.3	0	0	0	122.7
1186	H	36.4	Very low	35.2	Very low	156 Å²	156	138 Å²	138	72%	0.722	72%	0.717	S	S	*	*			trans	74.3	152.9	131.7	-62.8	-21.2	0	0	0	120.8
1187	I	34.7	Very low	35.1	Very low	126 Å²	126	141.9 Å²	141.9	65%	0.646	72%	0.719	S	S	*	*			cis	-159.3	140.6	-18.2	-111.7	167.9	0	0	0	111.1
1188	H	33.5	Very low	35.2	Very low	149 Å²	149	142.2 Å²	142.2	69%	0.69	72%	0.718	S	S	*	*			trans	55.4	159.8	153.4	-85	-110.1	0	0	0	126.8
1189	Y	35.1	Very low	35.2	Very low	219 Å²	219	140.7 Å²	140.7	86%	0.859	71%	0.71	S	S	*	*			trans	78.4	130.3	164.3	-52.9	-70	0	0	0	118.5
1190	G	34.9	Very low	35.3	Very low	60 Å²	60	141.6 Å²	141.6	62%	0.619	71%	0.707	S	S	*	*			cis	171.2	143.3	-12	0	0	0	0	0	114.6
1191	H	37.8	Very low	35.2	Very low	197 Å²	197	140.1 Å²	140.1	91%	0.912	71%	0.706	S	S	*	*			trans	63.8	148.9	171.1	-62	-82.3	0	0	0	117.8
1192	S	37.8	Very low	35.2	Very low	97 Å²	97	142.1 Å²	142.1	68%	0.678	71%	0.714	S	S	*	*			cis	-148.1	144.2	-5.1	55.7	0	0	0	0	113.1
1193	S	36.7	Very low	35.4	Very low	98 Å²	98	143.3 Å²	143.3	69%	0.685	72%	0.717	S	S	*	*			trans	42.4	114.4	139.4	-54.9	0	0	0	0	121.2
1194	Y	34.5	Very low	35.4	Very low	227 Å²	227	144.9 Å²	144.9	89%	0.89	72%	0.723	S	S	*	*				66.2	130.4	83.2	-75.7	-73.2	0	0	0	114.1
1195	A	36.2	Very low	35.6	Very low	72 Å²	72	143.7 Å²	143.7	60%	0.595	72%	0.72	S	S	*	*			cis	-169.3	152.6	-14.5	0	0	0	0	0	112.3
1196	F	34.4	Very low	35.7	Very low	162 Å²	162	146.3 Å²	146.3	71%	0.711	73%	0.73	S	S	*	*			trans	39	140.4	149	-67.2	-73.2	0	0	0	121.9
1197	Y	36	Very low	35.6	Very low	193 Å²	193	145.5 Å²	145.5	76%	0.757	73%	0.731	S	S	*	*			cis	-142.2	0	18.4	-131.4	-63.8	0	0	0	113.6	S706	S706-Y1197 VanDerWaalsContact CB-CG 3.48Å

Retrieved 1,197 of 1,197 residues in 1129.8 ms (Link to these results)

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