A0A087Y4S7_POEFO Loading...

polynucleotide adenylyltransferase

AlphaFold DB , UniProt , Accession A0A087Y4S7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 844 aa.

						>A0A087Y4S7_POEFO|A0A087Y4S7
MKEMSSAMPGGQQPQKHYGITSAISLAPPREIDHLYTKKLCDAMKPFGVFEDEEELNHRLAVLGKLNNLVKEWIAEISELKNLPPSAISCVGGKIFTFGSYRLGVHTKGADIDALCVAPRHVERTDFFQSFFEKLKQHEEIKDLRAVEDAFVPVIKFKFDGIEIDLLFARLALQSIPDNLDLRGDSILKNLDIRCIRSLNGCRVTDEILYLVPNKENFRLTLRAIKLWAKRRGIYSNILGFLGGVSWAMLVARTCQLYPNAVAATLVHKFFLVFSKWEWPNPVLLKQPEDSNLNLPVWDPRVNPSDRYHLMPIITPAYPQQNSTYNVSTSTRTIMTEEFKHGLSVTDEILQGKAEWPKLFEPPNFFQKYKHYIVLTASASTEENHLEWIGLVESKIRVLVGNLERNEYITLAHVNPQSFPGSKDNRNENDFVSMWFIGIIFKKVENAESVNIDLTFDIQSFTDTVYRQANNINMLKDGMKIEATHVKKKQLHQYLPPELVQKKKRSIAELNRSSNGGSSKRISLDSSHLDSSRDTDSGTPFSSPSSKPLKPASDTDEGVSPPKQICLETSPAPSAAAATPQTSAAAAAAVSSSAAAAQPAASAAATEQDAARCSPPAGSSISGALSDAVKPSSPKEEPNGLEEPPAPAAATKRPHSPTQDDLAKRHKDSDAVPSDDSTFKEPYPPSSDCSPHGEAPGTPPHSGSKAKPIPTIDTSRTQRLPSMELPDASSPLPASNSCRVVKNSIKLALNRHNVTPPKPPLFEGTLNPDAAAASEEKGMSIPVIGSKHAAPKHTAPPVGSSIPTLVSRVADPLNGATSKRPHSPSVEEQAKRLKETEKARIHIA
					

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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	36.1	Very low	32.8	Very low	242 Å²	242	136.5 Å²	136.5	100%	1.192	82%	0.821	S	S	*	*				0	127.7	0	-59.8	176.3	-172.6	0	0	106.3
2	K	34.4	Very low	33.1	Very low	167 Å²	167	139.9 Å²	139.9	73%	0.726	82%	0.821	S	S	*	*			cis	-146.3	162.7	-3.3	-90.8	167.2	152.7	-89.1	0	104.9
3	E	30.9	Very low	33.4	Very low	150 Å²	150	142.6 Å²	142.6	70%	0.701	82%	0.821	S	S	*	*			cis	-154	150.4	-8.3	-116.9	151.9	165.2	0	0	106.4
4	M	32.6	Very low	34.1	Very low	193 Å²	193	141.3 Å²	141.3	95%	0.951	82%	0.82	S	S	*	*			trans	-84	119.7	176	-75.9	177.5	168.4	0	0	110.2	S6	M4-S6 PolarHBondContact O-N 3.45Å
5	S	30.2	Very low	35.7	Very low	124 Å²	124	142.5 Å²	142.5	87%	0.867	82%	0.815	S	S	*	*			trans	-75.6	117.4	172.6	-174	0	0	0	0	110.4	A7	S5-A7 PolarHBondContact O-N 3.37Å
6	S	29.9	Very low	37.7	Very low	99 Å²	99	140.2 Å²	140.2	69%	0.692	79%	0.793	S	S	*	*			trans	-80.3	107.4	-179.7	56.5	0	0	0	0	111.5	M4 M8	M4-S6 PolarHBondContact O-N 3.45Å; S6-M8 PolarHBondContact O-N 3.42Å
7	A	32.3	Very low	40.2	Very low	98 Å²	98	138.8 Å²	138.8	81%	0.81	78%	0.778	S	S	*	*			trans	-70.7	106.5	167.2	0	0	0	0	0	110	S5	S5-A7 PolarHBondContact O-N 3.37Å
8	M	30.5	Very low	43	Very low	164 Å²	164	133.9 Å²	133.9	81%	0.808	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-66.2	134.4	173.5	-73.7	-72.8	-75.3	0	0	110.4	S6 G10	S6-M8 PolarHBondContact O-N 3.42Å; M8-G10 PolarHBondContact O-N 3.37Å
9	P	40.7	Very low	45.6	Very low	118 Å²	118	127.7 Å²	127.7	77%	0.766	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-62.3	131.5	173.5	-21.5	33.1	0	0	0	111.1	G11	P9-G11 PolarHBondContact O-N 2.9Å
10	G	33.3	Very low	48.1	Very low	69 Å²	69	124 Å²	124	71%	0.711	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-59.5	135.6	173	0	0	0	0	0	111.1	M8 Q12	M8-G10 PolarHBondContact O-N 3.37Å; G10-Q12 PolarHBondContact O-N 2.81Å; G10-Q12 VanDerWaalsContact O-N 3.08Å
11	G	30.1	Very low	50.4	Low	78 Å²	78	121 Å²	121	80%	0.804	68%	0.678	S	S	*	*			trans	-58.8	113.6	-176.6	0	0	0	0	0	111.9	P9 Q13	P9-G11 PolarHBondContact O-N 2.9Å; G11-Q13 PolarHBondContact O-N 3.29Å
12	Q	36.7	Very low	53.2	Low	177 Å²	177	113.7 Å²	113.7	83%	0.827	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-62.1	125.1	171.2	-67.8	-179	-6.9	0	0	108.7	G10	G10-Q12 PolarHBondContact O-N 2.81Å; G10-Q12 VanDerWaalsContact O-N 3.08Å
13	Q	36.5	Very low	56.2	Low	175 Å²	175	107.4 Å²	107.4	82%	0.818	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-56.3	135.4	163.1	-72.1	-175.7	-13.1	0	0	108	G11 Q15	G11-Q13 PolarHBondContact O-N 3.29Å; Q13-Q15 PolarHBondContact O-N 3.38Å
14	P	43.7	Very low	59.4	Low	124 Å²	124	105.2 Å²	105.2	81%	0.805	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-58.4	118.2	-179.2	23.7	-32.9	0	0	0	108.9	K16	P14-K16 PolarHBondContact O-N 2.78Å
15	Q	58	Low	62.5	Low	160 Å²	160	98.3 Å²	98.3	75%	0.748	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-55.8	119.3	-178.8	-76.3	-170.2	-15.9	0	0	109	Q13 H17	Q13-Q15 PolarHBondContact O-N 3.38Å; Q15-H17 PolarHBondContact O-N 2.86Å
16	K	67.9	Low	65.6	Low	105 Å²	105	96.9 Å²	96.9	46%	0.457	58%	0.575	S	S	.	*			trans	-61.6	104.5	-179.4	-176.8	176.1	171.6	-167.5	0	108.8	P14 Y18	P14-K16 PolarHBondContact O-N 2.78Å; K16-Y18 HydrophobicContact CB-CE2 4.19Å; K16-Y18 HydrophobicContact CD-CE1 4.36Å; K16-Y18 HydrophobicContact CD-CE2 4.11Å; K16-Y18 WeakPolarHBondContact CD-OH 3.43Å; K16-Y18 HydrophobicContact CG-CD2 4.46Å; K16-Y18 HydrophobicContact CG-CE2 3.91Å; K16-Y18 PolarHBondContact NZ-OH 3.39Å; K16-Y18 WeakPolarHBondContact O-CD2 3.29Å; K16-Y18 VanDerWaalsContact O-CE2 3.28Å; K16-Y18 WeakPolarHBondContact O-CE2 3.21Å
17	H	79.1	Confident	68.8	Low	117 Å²	117	94.9 Å²	94.9	54%	0.542	56%	0.564	S	S	.	*			trans	-73.3	144.4	176.6	-174.7	-74.8	0	0	0	109.8	Q15 G19 T21 S22	Q15-H17 PolarHBondContact O-N 2.86Å; H17-G19 PolarHBondContact CE1-O 3.31Å; H17-G19 PolarHBondContact ND1-O 2.93Å; H17-T21 PolarHBondContact CE1-N 3.15Å; H17-T21 PolarHBondContact CE1-O 3.19Å; H17-T21 PolarHBondContact NE2-O 2.92Å; H17-S22 WeakPolarHBondContact NE2-CA 3.49Å; H17-S22 WeakPolarHBondContact NE2-CB 3.37Å; H17-S22 PolarHBondContact NE2-N 3.21Å; H17-S22 PolarHBondContact NE2-OG 3.27Å
18	Y	91.3	Very high	71.9	Confident	50 Å²	50	95 Å²	95	20%	0.196	56%	0.557	C	S	.	*			trans	-129.2	127.7	-178.4	-70.9	-93.8	0	0	0	110.1	K16 Y210 L211 V212 P213	K16-Y18 HydrophobicContact CB-CE2 4.19Å; K16-Y18 HydrophobicContact CD-CE1 4.36Å; K16-Y18 HydrophobicContact CD-CE2 4.11Å; K16-Y18 WeakPolarHBondContact CD-OH 3.43Å; K16-Y18 HydrophobicContact CG-CD2 4.46Å; K16-Y18 HydrophobicContact CG-CE2 3.91Å; K16-Y18 PolarHBondContact NZ-OH 3.39Å; K16-Y18 WeakPolarHBondContact O-CD2 3.29Å; K16-Y18 VanDerWaalsContact O-CE2 3.28Å; K16-Y18 WeakPolarHBondContact O-CE2 3.21Å; Y18-Y210 WeakPolarHBondContact CE1-O 3.46Å; Y18-L211 WeakPolarHBondContact CD1-O 3.37Å; Y18-V212 WeakPolarHBondContact CE1-O 3.15Å; Y18-P213 HydrophobicContact CD2-CB 3.96Å; Y18-P213 HydrophobicContact CE2-CB 3.87Å; Y18-P213 HydrophobicContact CG-CB 4.43Å
19	G	93.1	Very high	75	Confident	17 Å²	17	89 Å²	89	18%	0.175	53%	0.531	C	S	.	.	S	Bend	trans	91.8	177.2	178.3	0	0	0	0	0	114.9	H17 T21 Q256 L285	H17-G19 PolarHBondContact CE1-O 3.31Å; H17-G19 PolarHBondContact ND1-O 2.93Å; G19-T21 VanDerWaalsContact C-N 3.3Å; G19-T21 PolarHBondContact O-N 3.29Å; G19-Q256 VanDerWaalsContact CA-CD 3.41Å; G19-L285 WeakPolarHBondContact CA-O 3.34Å
20	I	95.1	Very high	77.7	Confident	53 Å²	53	91 Å²	91	27%	0.272	52%	0.523	S	S	.	.	S	Bend	trans	-82.2	-1.9	-177.6	57	150.4	0	0	0	114.7	L284 K286 Q287	I20-L284 HydrophobicContact CD1-CB 3.99Å; I20-L284 HydrophobicContact CD1-CD1 4.24Å; I20-L284 HydrophobicContact CD1-CG 4.42Å; I20-L284 HydrophobicContact CG1-CB 4.34Å; I20-L284 HydrophobicContact CG2-CB 4.22Å; I20-K286 WeakPolarHBondContact CG2-O 3.17Å; I20-Q287 HydrophobicContact CG2-CG 4.12Å
21	T	95.7	Very high	80.8	Confident	61 Å²	61	96 Å²	96	37%	0.374	53%	0.528	S	S	.	.	S	Bend	trans	-142	158.1	180	64.9	0	0	0	0	109.9	H17 G19 R253	H17-T21 PolarHBondContact CE1-N 3.15Å; H17-T21 PolarHBondContact CE1-O 3.19Å; H17-T21 PolarHBondContact NE2-O 2.92Å; G19-T21 VanDerWaalsContact C-N 3.3Å; G19-T21 PolarHBondContact O-N 3.29Å; T21-R253 PolarHBondContact OG1-NH2 3.12Å
22	S	95.9	Very high	84	Confident	88 Å²	88	95.7 Å²	95.7	62%	0.615	51%	0.507	S	S	*	.			trans	-52.1	153.7	163.6	-53.8	0	0	0	0	112.5	H17	H17-S22 WeakPolarHBondContact NE2-CA 3.49Å; H17-S22 WeakPolarHBondContact NE2-CB 3.37Å; H17-S22 PolarHBondContact NE2-N 3.21Å; H17-S22 PolarHBondContact NE2-OG 3.27Å
23	A	96.9	Very high	86.8	Confident	36 Å²	36	87.9 Å²	87.9	30%	0.298	47%	0.471	S	S	.	.			trans	-64.9	149.4	171	0	0	0	0	0	111.3	L26 P259	A23-L26 HydrophobicContact CB-CD2 3.76Å; A23-P259 HydrophobicContact CB-CG 4.11Å
24	I	97.6	Very high	89.8	Confident	103 Å²	103	84.2 Å²	84.2	53%	0.528	45%	0.453	S	S	.	.	S	Bend	trans	-77.7	-33.1	175.7	-62.9	171.5	0	0	0	110.3	L257 Y258	I24-L257 HydrophobicContact CD1-CB 4.09Å; I24-L257 HydrophobicContact CD1-CD1 4.11Å; I24-L257 HydrophobicContact CD1-CD2 4.08Å; I24-L257 HydrophobicContact CD1-CG 4.31Å; I24-L257 HydrophobicContact CG1-CB 4.25Å; I24-L257 HydrophobicContact CG1-CD2 4.03Å; I24-L257 PolarHBondContact N-O 3.08Å; I24-Y258 HydrophobicContact CB-CE1 4.01Å; I24-Y258 HydrophobicContact CB-CE2 4.45Å; I24-Y258 HydrophobicContact CD1-CE2 4.19Å; I24-Y258 HydrophobicContact CG2-CE1 4.01Å; I24-Y258 WeakPolarHBondContact CG2-OH 3.43Å
25	S	97.4	Very high	92.4	Very high	48 Å²	48	82.9 Å²	82.9	34%	0.336	44%	0.439	S	S	.	.			trans	-151.8	136.9	172.3	-168.8	0	0	0	0	112.2	A27 L257	S25-A27 WeakPolarHBondContact OG-CB 3.24Å; S25-A27 PolarHBondContact OG-N 3.43Å; S25-L257 PolarHBondContact N-O 3.06Å
26	L	96.8	Very high	94.3	Very high	94 Å²	94	76.4 Å²	76.4	49%	0.492	41%	0.408	S	S	.	.			trans	-97.1	10.3	170.5	-57.2	-179.1	0	0	0	112.2	A23 P259 N260	A23-L26 HydrophobicContact CB-CD2 3.76Å; L26-P259 HydrophobicContact CD2-CG 3.5Å; L26-P259 VanDerWaalsContact CD2-CG 3.5Å; L26-N260 PolarHBondContact O-ND2 3.38Å
27	A	97.1	Very high	95.7	Very high	57 Å²	57	72.1 Å²	72.1	47%	0.471	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-59.9	132.1	-177.2	0	0	0	0	0	111.6	S25	S25-A27 WeakPolarHBondContact OG-CB 3.24Å; S25-A27 PolarHBondContact OG-N 3.43Å
28	P	96.1	Very high	96.6	Very high	100 Å²	100	73.1 Å²	73.1	65%	0.649	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-69	160.7	172.1	30.9	-35.1	0	0	0	111.1
29	P	97	Very high	97	Very high	40 Å²	40	74 Å²	74	26%	0.26	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-69.4	152.4	173.7	33.6	-37.2	0	0	0	110.6	D33 H34 N260 V262	P29-D33 HydrophobicContact CB-CB 4.36Å; P29-H34 WeakPolarHBondContact CG-NE2 3.48Å; P29-N260 WeakPolarHBondContact CD-O 3.39Å; P29-V262 HydrophobicContact CB-CB 4.39Å; P29-V262 HydrophobicContact CB-CG1 3.71Å; P29-V262 HydrophobicContact CB-CG2 3.87Å; P29-V262 HydrophobicContact CG-CG1 3.84Å
30	R	97.1	Very high	97.2	Very high	158 Å²	158	73.2 Å²	73.2	60%	0.596	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-98.6	163.4	168.3	-53.1	159.7	-62.1	162.3	8.3	109.1	I32 D33 H34	R30-I32 HydrophobicContact CB-CG2 4Å; R30-I32 PolarHBondContact O-N 2.86Å; R30-I32 VanDerWaalsContact O-N 3.15Å; R30-D33 VanDerWaalsContact CB-OD2 3.29Å; R30-D33 WeakPolarHBondContact CB-OD2 3.48Å; R30-D33 IonicContact CZ-OD1 3.48Å; R30-D33 IonicContact CZ-OD2 3.84Å; R30-D33 PolarHBondContact N-OD2 3.17Å; R30-D33 IonicContact NE-OD1 2.81Å; R30-D33 IonicContact NE-OD2 2.69Å; R30-D33 PolarHBondContact NE-OD2 3.4Å; R30-D33 IonicContact NH2-OD1 3.29Å; R30-D33 PolarHBondContact NH2-OD1 3.22Å; R30-D33 IonicContact NH2-OD2 2.93Å; R30-D33 PolarHBondContact NH2-OD2 3.23Å; R30-D33 WeakPolarHBondContact O-CA 3.4Å; R30-D33 WeakPolarHBondContact O-CB 3.23Å; R30-D33 PolarHBondContact O-N 3.23Å; R30-H34 PolarHBondContact O-CD2 2.94Å; R30-H34 PolarHBondContact O-N 2.88Å
31	E	97.6	Very high	97.4	Very high	176 Å²	176	72 Å²	72	82%	0.822	39%	0.386	S	S	*	.	H	α-helix	trans	-51.8	-39.4	177.3	-61.6	177.2	175.3	0	0	113	D33 H34 L35	E31-D33 VanDerWaalsContact C-N 3.3Å; E31-D33 PolarHBondContact O-N 3.35Å; E31-H34 WeakPolarHBondContact O-CB 3.39Å; E31-H34 PolarHBondContact O-N 3.45Å; E31-L35 PolarHBondContact O-N 2.85Å
32	I	96.8	Very high	97.5	Very high	70 Å²	70	72.3 Å²	72.3	36%	0.359	39%	0.385	S	S	.	.	H	α-helix	trans	-62.8	-34.2	175.8	-173.2	57.4	0	0	0	112.7	R30 L35 Y36	R30-I32 HydrophobicContact CB-CG2 4Å; R30-I32 PolarHBondContact O-N 2.86Å; R30-I32 VanDerWaalsContact O-N 3.15Å; I32-L35 HydrophobicContact CD1-CD2 4.13Å; I32-L35 PolarHBondContact O-N 2.63Å; I32-Y36 HydrophobicContact CD1-CD2 3.99Å; I32-Y36 HydrophobicContact CD1-CE2 3.69Å; I32-Y36 HydrophobicContact CG1-CD2 3.88Å; I32-Y36 HydrophobicContact CG1-CE2 3.67Å; I32-Y36 WeakPolarHBondContact O-CD2 3.48Å; I32-Y36 PolarHBondContact O-N 3.28Å
33	D	97.1	Very high	97.6	Very high	13 Å²	13	68.9 Å²	68.9	7%	0.07	36%	0.362	C	S	.	.	H	α-helix	trans	-73.1	-31.5	177.8	-52.9	-57.1	0	0	0	111	P29 R30 E31 T37 V262	P29-D33 HydrophobicContact CB-CB 4.36Å; R30-D33 VanDerWaalsContact CB-OD2 3.29Å; R30-D33 WeakPolarHBondContact CB-OD2 3.48Å; R30-D33 IonicContact CZ-OD1 3.48Å; R30-D33 IonicContact CZ-OD2 3.84Å; R30-D33 PolarHBondContact N-OD2 3.17Å; R30-D33 IonicContact NE-OD1 2.81Å; R30-D33 IonicContact NE-OD2 2.69Å; R30-D33 PolarHBondContact NE-OD2 3.4Å; R30-D33 IonicContact NH2-OD1 3.29Å; R30-D33 PolarHBondContact NH2-OD1 3.22Å; R30-D33 IonicContact NH2-OD2 2.93Å; R30-D33 PolarHBondContact NH2-OD2 3.23Å; R30-D33 WeakPolarHBondContact O-CA 3.4Å; R30-D33 WeakPolarHBondContact O-CB 3.23Å; R30-D33 PolarHBondContact O-N 3.23Å; E31-D33 VanDerWaalsContact C-N 3.3Å; E31-D33 PolarHBondContact O-N 3.35Å; D33-T37 WeakPolarHBondContact O-CB 3.4Å; D33-T37 PolarHBondContact O-N 3.02Å; D33-T37 PolarHBondContact O-OG1 3.46Å; D33-V262 HydrophobicContact CB-CG2 3.82Å
34	H	98.1	Very high	97.6	Very high	98 Å²	98	67.1 Å²	67.1	45%	0.454	35%	0.348	S	S	.	.	H	α-helix	trans	-68.3	-41.6	168	-71.9	-86.8	0	0	0	112.1	P29 R30 E31 T37 K38	P29-H34 WeakPolarHBondContact CG-NE2 3.48Å; R30-H34 PolarHBondContact O-CD2 2.94Å; R30-H34 PolarHBondContact O-N 2.88Å; E31-H34 WeakPolarHBondContact O-CB 3.39Å; E31-H34 PolarHBondContact O-N 3.45Å; H34-T37 CarbonylContact O-C 3.57Å; H34-T37 WeakPolarHBondContact O-CA 3.25Å; H34-T37 WeakPolarHBondContact O-CB 3.41Å; H34-T37 PolarHBondContact O-N 3.42Å; H34-T37 VanDerWaalsContact O-N 3.1Å; H34-K38 PolarHBondContact O-N 2.87Å
35	L	98	Very high	97.5	Very high	96 Å²	96	68.2 Å²	68.2	50%	0.503	35%	0.349	S	S	.	.	H	α-helix	trans	-61.7	-45.3	175.6	179.3	60.3	0	0	0	111.7	E31 I32 T37 K38 K39	E31-L35 PolarHBondContact O-N 2.85Å; I32-L35 HydrophobicContact CD1-CD2 4.13Å; I32-L35 PolarHBondContact O-N 2.63Å; L35-T37 VanDerWaalsContact C-N 3.27Å; L35-T37 PolarHBondContact O-N 3.08Å; L35-K38 PolarHBondContact O-N 3.41Å; L35-K39 PolarHBondContact O-N 3.15Å
36	Y	98.1	Very high	97.4	Very high	24 Å²	24	71 Å²	71	9%	0.094	37%	0.366	C	S	.	.	H	α-helix	trans	-63.1	-32.6	172.2	-81.1	-66	0	0	0	112.7	I32 K39 L40 I349 L350 G352 W356	I32-Y36 HydrophobicContact CD1-CD2 3.99Å; I32-Y36 HydrophobicContact CD1-CE2 3.69Å; I32-Y36 HydrophobicContact CG1-CD2 3.88Å; I32-Y36 HydrophobicContact CG1-CE2 3.67Å; I32-Y36 WeakPolarHBondContact O-CD2 3.48Å; I32-Y36 PolarHBondContact O-N 3.28Å; Y36-K39 HydrophobicContact CD1-CD 4.32Å; Y36-K39 PolarHBondContact O-N 2.76Å; Y36-L40 WeakPolarHBondContact O-CB 3.44Å; Y36-L40 PolarHBondContact O-N 3.01Å; Y36-I349 HydrophobicContact CD1-CG2 3.99Å; Y36-I349 HydrophobicContact CE1-CG2 3.93Å; Y36-I349 WeakPolarHBondContact CE1-O 3.45Å; Y36-I349 VanDerWaalsContact CZ-O 3.23Å; Y36-I349 PolarHBondContact OH-O 2.96Å; Y36-L350 HydrophobicContact CD2-CD2 4.01Å; Y36-L350 HydrophobicContact CE2-CD2 4.35Å; Y36-L350 HydrophobicContact CG-CD2 4.2Å; Y36-G352 PolarHBondContact OH-N 3.31Å; Y36-W356 PolarHBondContact O-NE1 2.81Å
37	T	98.5	Very high	97.4	Very high	16 Å²	16	70 Å²	70	10%	0.098	36%	0.357	C	S	.	.	H	α-helix	trans	-68.1	-40.1	174.4	-61.5	0	0	0	0	111.7	D33 H34 L35 L40 C41 L220 V262 A263 A264	D33-T37 WeakPolarHBondContact O-CB 3.4Å; D33-T37 PolarHBondContact O-N 3.02Å; D33-T37 PolarHBondContact O-OG1 3.46Å; H34-T37 CarbonylContact O-C 3.57Å; H34-T37 WeakPolarHBondContact O-CA 3.25Å; H34-T37 WeakPolarHBondContact O-CB 3.41Å; H34-T37 PolarHBondContact O-N 3.42Å; H34-T37 VanDerWaalsContact O-N 3.1Å; L35-T37 VanDerWaalsContact C-N 3.27Å; L35-T37 PolarHBondContact O-N 3.08Å; T37-L40 WeakPolarHBondContact O-CB 3.46Å; T37-L40 PolarHBondContact O-N 3.45Å; T37-C41 PolarHBondContact O-N 2.83Å; T37-C41 PolarHBondContact O-SG 3.26Å; T37-C41 VanDerWaalsContact O-SG 3.34Å; T37-L220 HydrophobicContact CG2-CD2 3.72Å; T37-V262 WeakPolarHBondContact OG1-CG2 3.48Å; T37-A263 HydrophobicContact CG2-CB 4.08Å; T37-A264 VanDerWaalsContact OG1-CB 3.23Å; T37-A264 WeakPolarHBondContact OG1-CB 3.39Å; T37-A264 PolarHBondContact OG1-N 3.3Å
38	K	98.4	Very high	97.2	Very high	137 Å²	137	68.6 Å²	68.6	60%	0.596	35%	0.349	S	S	*	.	H	α-helix	trans	-61.8	-48.2	172.1	-176.5	176.2	177.7	-179.7	0	111.4	H34 L35 L40 C41 D42	H34-K38 PolarHBondContact O-N 2.87Å; L35-K38 PolarHBondContact O-N 3.41Å; K38-L40 PolarHBondContact O-N 3.1Å; K38-C41 WeakPolarHBondContact O-CB 3.4Å; K38-C41 PolarHBondContact O-N 2.99Å; K38-C41 VanDerWaalsContact O-N 3.12Å; K38-D42 PolarHBondContact O-N 2.91Å
39	K	98.3	Very high	97.1	Very high	69 Å²	69	64.1 Å²	64.1	30%	0.3	32%	0.32	S	S	.	.	H	α-helix	trans	-56.6	-35.7	174.1	-74	-177.1	156.4	-162.9	0	112.8	L35 Y36 A43 E355	L35-K39 PolarHBondContact O-N 3.15Å; Y36-K39 HydrophobicContact CD1-CD 4.32Å; Y36-K39 PolarHBondContact O-N 2.76Å; K39-A43 VanDerWaalsContact O-CB 3.26Å; K39-A43 WeakPolarHBondContact O-CB 3.26Å; K39-A43 PolarHBondContact O-N 2.94Å; K39-E355 IonicContact NZ-OE1 3.83Å; K39-E355 PolarHBondContact NZ-OE1 3.49Å; K39-E355 IonicContact NZ-OE2 2.9Å; K39-E355 PolarHBondContact NZ-OE2 3.03Å
40	L	98.6	Very high	97	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.6	-46.7	175.7	173.7	58.8	0	0	0	111	Y36 T37 K38 D42 A43 M44 A224 A263 V267 W356 F360	Y36-L40 WeakPolarHBondContact O-CB 3.44Å; Y36-L40 PolarHBondContact O-N 3.01Å; T37-L40 WeakPolarHBondContact O-CB 3.46Å; T37-L40 PolarHBondContact O-N 3.45Å; K38-L40 PolarHBondContact O-N 3.1Å; L40-D42 PolarHBondContact O-N 3.26Å; L40-A43 PolarHBondContact O-N 3.04Å; L40-M44 HydrophobicContact CD1-CE 4.15Å; L40-M44 HydrophobicContact CD1-CG 4.24Å; L40-M44 HydrophobicContact CD1-SD 4.1Å; L40-M44 HydrophobicContact CG-CE 3.93Å; L40-M44 WeakPolarHBondContact O-CB 3.48Å; L40-M44 VanDerWaalsContact O-CG 3.3Å; L40-M44 WeakPolarHBondContact O-CG 3.34Å; L40-M44 PolarHBondContact O-N 2.59Å; L40-M44 VanDerWaalsContact O-N 3.16Å; L40-A224 HydrophobicContact CD1-CB 4.07Å; L40-A224 HydrophobicContact CD2-CB 4.36Å; L40-A263 HydrophobicContact CD2-CB 4.42Å; L40-V267 HydrophobicContact CD2-CG2 4.02Å; L40-W356 HydrophobicContact CB-CD2 4.08Å; L40-W356 HydrophobicContact CB-CG 4.23Å; L40-W356 HydrophobicContact CB-CZ2 4.23Å; L40-W356 HydrophobicContact CD1-CD2 3.84Å; L40-W356 HydrophobicContact CD1-CE3 3.8Å; L40-W356 HydrophobicContact CD1-CG 4.24Å; L40-W356 HydrophobicContact CD1-CZ3 4.22Å; L40-W356 HydrophobicContact CD2-CH2 4.45Å; L40-W356 HydrophobicContact CD2-CZ2 4.43Å; L40-W356 HydrophobicContact CG-CD2 4.47Å; L40-F360 HydrophobicContact CD1-CE2 4.32Å; L40-F360 HydrophobicContact CD1-CZ 3.91Å
41	C	98.1	Very high	96.7	Very high	29 Å²	29	59.1 Å²	59.1	20%	0.196	30%	0.299	C	S	.	.	H	α-helix	trans	-56.7	-49.6	173.4	-61.7	0	0	0	0	111.6	T37 K38 A43 M44 K45 L220	T37-C41 PolarHBondContact O-N 2.83Å; T37-C41 PolarHBondContact O-SG 3.26Å; T37-C41 VanDerWaalsContact O-SG 3.34Å; K38-C41 WeakPolarHBondContact O-CB 3.4Å; K38-C41 PolarHBondContact O-N 2.99Å; K38-C41 VanDerWaalsContact O-N 3.12Å; C41-A43 PolarHBondContact O-N 3.38Å; C41-M44 PolarHBondContact O-N 2.95Å; C41-M44 VanDerWaalsContact O-N 3.1Å; C41-K45 PolarHBondContact O-N 3.12Å; C41-K45 VanDerWaalsContact O-N 3.16Å; C41-L220 VanDerWaalsContact SG-CD2 3.59Å
42	D	98	Very high	96.4	Very high	67 Å²	67	54.6 Å²	54.6	36%	0.358	28%	0.28	S	S	.	.	H	α-helix	trans	-65.4	-38.3	-176.8	-68.3	-34.6	0	0	0	112.3	K38 L40 M44 K45 P46	K38-D42 PolarHBondContact O-N 2.91Å; L40-D42 PolarHBondContact O-N 3.26Å; D42-M44 PolarHBondContact O-N 2.94Å; D42-K45 WeakPolarHBondContact OD1-CE 3.47Å; D42-K45 IonicContact OD1-NZ 3.12Å; D42-K45 PolarHBondContact OD1-NZ 3.06Å; D42-P46 WeakPolarHBondContact O-CD 3.44Å
43	A	97.9	Very high	96.2	Very high	15 Å²	15	58.6 Å²	58.6	12%	0.124	30%	0.297	C	S	.	.	H	α-helix	trans	-69	-18.9	173.8	0	0	0	0	0	114.1	K39 L40 C41 F47 W356 P357	K39-A43 VanDerWaalsContact O-CB 3.26Å; K39-A43 WeakPolarHBondContact O-CB 3.26Å; K39-A43 PolarHBondContact O-N 2.94Å; L40-A43 PolarHBondContact O-N 3.04Å; C41-A43 PolarHBondContact O-N 3.38Å; A43-F47 WeakPolarHBondContact O-CD2 3.43Å; A43-F47 WeakPolarHBondContact O-CE2 3.46Å; A43-W356 HydrophobicContact CB-CB 3.57Å; A43-P357 HydrophobicContact CB-CG 4.08Å
44	M	97.6	Very high	96	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-90.8	-29.1	179.3	-78.7	-166.5	-55.9	0	0	113.8	L40 C41 D42 P46 F47 V49 F50 L220 A224 L227 F360	L40-M44 HydrophobicContact CD1-CE 4.15Å; L40-M44 HydrophobicContact CD1-CG 4.24Å; L40-M44 HydrophobicContact CD1-SD 4.1Å; L40-M44 HydrophobicContact CG-CE 3.93Å; L40-M44 WeakPolarHBondContact O-CB 3.48Å; L40-M44 VanDerWaalsContact O-CG 3.3Å; L40-M44 WeakPolarHBondContact O-CG 3.34Å; L40-M44 PolarHBondContact O-N 2.59Å; L40-M44 VanDerWaalsContact O-N 3.16Å; C41-M44 PolarHBondContact O-N 2.95Å; C41-M44 VanDerWaalsContact O-N 3.1Å; D42-M44 PolarHBondContact O-N 2.94Å; M44-P46 VanDerWaalsContact C-CD 3.43Å; M44-F47 PolarHBondContact O-N 2.69Å; M44-V49 HydrophobicContact CB-CG2 3.68Å; M44-V49 HydrophobicContact CG-CG2 4.31Å; M44-V49 HydrophobicContact SD-CG2 4.29Å; M44-F50 HydrophobicContact CB-CE2 4.02Å; M44-F50 HydrophobicContact CE-CE2 4.38Å; M44-F50 HydrophobicContact CE-CZ 4Å; M44-L220 HydrophobicContact CE-CD1 3.55Å; M44-A224 HydrophobicContact CE-CB 4.32Å; M44-A224 WeakPolarHBondContact SD-CA 3.49Å; M44-A224 HydrophobicContact SD-CB 3.58Å; M44-A224 VanDerWaalsContact SD-CB 3.58Å; M44-L227 HydrophobicContact CG-CD2 3.93Å; M44-F360 HydrophobicContact CG-CE2 3.79Å; M44-F360 HydrophobicContact CG-CZ 3.81Å; M44-F360 HydrophobicContact SD-CZ 4.22Å
45	K	95.5	Very high	95.7	Very high	125 Å²	125	63.2 Å²	63.2	54%	0.543	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-48.6	-44.3	-180	-73.1	169	-176.9	168.5	0	114.5	C41 D42 F47 G48 F50	C41-K45 PolarHBondContact O-N 3.12Å; C41-K45 VanDerWaalsContact O-N 3.16Å; D42-K45 WeakPolarHBondContact OD1-CE 3.47Å; D42-K45 IonicContact OD1-NZ 3.12Å; D42-K45 PolarHBondContact OD1-NZ 3.06Å; K45-F47 PolarHBondContact O-N 3.43Å; K45-G48 PolarHBondContact O-N 3.35Å; K45-F50 HydrophobicContact CG-CD2 4.22Å; K45-F50 HydrophobicContact CG-CE2 4.37Å
46	P	95.7	Very high	95.4	Very high	108 Å²	108	62 Å²	62	70%	0.701	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-65.7	-7.9	-178.9	-22.2	35.2	0	0	0	115.4	D42 M44	D42-P46 WeakPolarHBondContact O-CD 3.44Å; M44-P46 VanDerWaalsContact C-CD 3.43Å
47	F	95.1	Very high	95.3	Very high	71 Å²	71	65.5 Å²	65.5	31%	0.311	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-100.6	10.1	-179.4	-62.7	-82.4	0	0	0	113.6	A43 M44 K45 V49 L227 F360	A43-F47 WeakPolarHBondContact O-CD2 3.43Å; A43-F47 WeakPolarHBondContact O-CE2 3.46Å; M44-F47 PolarHBondContact O-N 2.69Å; K45-F47 PolarHBondContact O-N 3.43Å; F47-V49 HydrophobicContact CB-CG1 3.97Å; F47-V49 WeakPolarHBondContact O-CG1 3.39Å; F47-V49 PolarHBondContact O-N 2.87Å; F47-V49 VanDerWaalsContact O-N 3.15Å; F47-L227 HydrophobicContact CB-CD1 3.75Å; F47-L227 HydrophobicContact CB-CD2 3.97Å; F47-L227 HydrophobicContact CD1-CD1 4.04Å; F47-L227 HydrophobicContact CD2-CD2 3.76Å; F47-L227 HydrophobicContact CE2-CD2 4.4Å; F47-L227 HydrophobicContact CG-CD1 3.87Å; F47-L227 HydrophobicContact CG-CD2 3.89Å; F47-F360 HydrophobicContact CE2-CB 4.19Å; F47-F360 HydrophobicContact CE2-CD2 4.17Å; F47-F360 HydrophobicContact CE2-CG 4.5Å; F47-F360 HydrophobicContact CZ-CB 3.98Å
48	G	93.8	Very high	95.1	Very high	28 Å²	28	68 Å²	68	29%	0.289	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	18	177.9	0	0	0	0	0	114.5	K45 F50	K45-G48 PolarHBondContact O-N 3.35Å; G48-F50 PolarHBondContact O-N 3.47Å
49	V	94.6	Very high	95	Very high	7 Å²	7	62 Å²	62	4%	0.042	32%	0.317	C	S	.	.			trans	-84.1	11.3	-176.1	-50.8	0	0	0	0	114.1	M44 F47 T107 R223 L227	M44-V49 HydrophobicContact CB-CG2 3.68Å; M44-V49 HydrophobicContact CG-CG2 4.31Å; M44-V49 HydrophobicContact SD-CG2 4.29Å; F47-V49 HydrophobicContact CB-CG1 3.97Å; F47-V49 WeakPolarHBondContact O-CG1 3.39Å; F47-V49 PolarHBondContact O-N 2.87Å; F47-V49 VanDerWaalsContact O-N 3.15Å; V49-T107 HydrophobicContact CB-CG2 4.21Å; V49-T107 HydrophobicContact CG1-CG2 4.26Å; V49-R223 PolarHBondContact O-NH1 2.76Å; V49-L227 HydrophobicContact CG1-CB 4.23Å; V49-L227 HydrophobicContact CG1-CD1 3.98Å; V49-L227 HydrophobicContact CG1-CD2 4.19Å; V49-L227 HydrophobicContact CG1-CG 4.35Å
50	F	94.4	Very high	94.9	Very high	64 Å²	64	63.1 Å²	63.1	28%	0.281	33%	0.326	S	S	.	.	S	Bend	trans	-125.8	140.2	165	-60.8	-78.7	0	0	0	106.8	M44 K45 G48 K108 L220	M44-F50 HydrophobicContact CB-CE2 4.02Å; M44-F50 HydrophobicContact CE-CE2 4.38Å; M44-F50 HydrophobicContact CE-CZ 4Å; K45-F50 HydrophobicContact CG-CD2 4.22Å; K45-F50 HydrophobicContact CG-CE2 4.37Å; G48-F50 PolarHBondContact O-N 3.47Å; F50-K108 VanDerWaalsContact O-CE 3.27Å; F50-K108 WeakPolarHBondContact O-CE 3.32Å; F50-L220 HydrophobicContact CE1-CD1 4.25Å; F50-L220 HydrophobicContact CZ-CD1 3.92Å
51	E	91.1	Very high	94.8	Very high	29 Å²	29	65.6 Å²	65.6	14%	0.136	35%	0.346	C	S	.	.			trans	-99.2	148.9	176.9	-175.8	168	-85.1	0	0	108.6	E55 R59 H106 K108	E51-E55 HydrophobicContact CG-CB 3.46Å; E51-E55 VanDerWaalsContact CG-CB 3.46Å; E51-E55 HydrophobicContact CG-CG 4.34Å; E51-R59 IonicContact OE1-CZ 3.69Å; E51-R59 IonicContact OE1-NE 2.76Å; E51-R59 PolarHBondContact OE1-NE 3.08Å; E51-R59 IonicContact OE1-NH2 3.9Å; E51-R59 PolarHBondContact OE1-NH2 3.38Å; E51-R59 VanDerWaalsContact OE2-CD 3.27Å; E51-R59 WeakPolarHBondContact OE2-CD 3.48Å; E51-R59 IonicContact OE2-CZ 2.67Å; E51-R59 IonicContact OE2-NE 3.62Å; E51-R59 PolarHBondContact OE2-NE 2.81Å; E51-H106 VanDerWaalsContact CD-NE2 3.29Å; E51-H106 IonicContact OE1-CD2 3.14Å; E51-H106 PolarHBondContact OE1-CD2 3.39Å; E51-H106 IonicContact OE1-NE2 2.69Å; E51-H106 IonicContact OE2-CD2 3.92Å; E51-H106 PolarHBondContact OE2-CD2 3.03Å; E51-H106 VanDerWaalsContact OE2-CD2 3.31Å; E51-H106 IonicContact OE2-CE1 3.82Å; E51-H106 IonicContact OE2-NE2 3.38Å; E51-H106 PolarHBondContact OE2-NE2 3.02Å; E51-K108 HydrophobicContact CB-CG 4.44Å
52	D	90.9	Very high	94.8	Very high	81 Å²	81	64.2 Å²	64.2	43%	0.433	34%	0.337	S	S	.	.			trans	-80.2	162.5	-178.1	-59.4	-9	0	0	0	110.9	E54 E55 L56 K108	D52-E54 VanDerWaalsContact C-N 3.28Å; D52-E54 PolarHBondContact O-N 2.92Å; D52-E55 PolarHBondContact N-OE2 3.13Å; D52-E55 VanDerWaalsContact N-OE2 3.15Å; D52-E55 PolarHBondContact O-N 3.33Å; D52-L56 PolarHBondContact O-N 2.86Å; D52-K108 WeakPolarHBondContact OD1-CE 3.44Å; D52-K108 IonicContact OD1-NZ 3.65Å; D52-K108 PolarHBondContact OD1-NZ 3.36Å; D52-K108 IonicContact OD2-NZ 3.15Å; D52-K108 PolarHBondContact OD2-NZ 2.86Å
53	E	91.8	Very high	94.7	Very high	153 Å²	153	62.1 Å²	62.1	72%	0.715	33%	0.325	S	S	*	.	H	α-helix	trans	-67.9	-31.5	-177.2	-64.9	-168.6	171.3	0	0	111.7	L56 N57	E53-L56 PolarHBondContact O-N 3Å; E53-N57 WeakPolarHBondContact O-CB 3.33Å; E53-N57 VanDerWaalsContact O-CG 3.23Å; E53-N57 PolarHBondContact O-N 3.18Å; E53-N57 PolarHBondContact O-ND2 3.43Å
54	E	93.2	Very high	94.7	Very high	144 Å²	144	63 Å²	63	67%	0.673	34%	0.336	S	S	*	.	H	α-helix	trans	-64	-47.2	173.9	-62.8	81.7	175.9	0	0	111.9	D52 L56 N57 H58	D52-E54 VanDerWaalsContact C-N 3.28Å; D52-E54 PolarHBondContact O-N 2.92Å; E54-L56 VanDerWaalsContact C-N 3.35Å; E54-N57 PolarHBondContact O-N 2.92Å; E54-H58 WeakPolarHBondContact O-CB 3.48Å; E54-H58 PolarHBondContact O-N 3.29Å
55	E	91.9	Very high	94.7	Very high	65 Å²	65	66.3 Å²	66.3	30%	0.304	35%	0.351	S	S	.	.	H	α-helix	trans	-62.6	-41.9	175.5	-71.7	176.9	116.6	0	0	111.1	E51 D52 H58 R59 K108	E51-E55 HydrophobicContact CG-CB 3.46Å; E51-E55 VanDerWaalsContact CG-CB 3.46Å; E51-E55 HydrophobicContact CG-CG 4.34Å; D52-E55 PolarHBondContact N-OE2 3.13Å; D52-E55 VanDerWaalsContact N-OE2 3.15Å; D52-E55 PolarHBondContact O-N 3.33Å; E55-H58 PolarHBondContact O-N 3.42Å; E55-R59 WeakPolarHBondContact O-CG 3.31Å; E55-R59 PolarHBondContact O-N 3.24Å; E55-K108 WeakPolarHBondContact OE2-CD 3.49Å; E55-K108 WeakPolarHBondContact OE2-CE 3.28Å; E55-K108 IonicContact OE2-NZ 2.59Å; E55-K108 PolarHBondContact OE2-NZ 2.9Å
56	L	92.3	Very high	94.8	Very high	70 Å²	70	60.4 Å²	60.4	37%	0.366	33%	0.325	S	S	.	.	H	α-helix	trans	-64.5	-42.1	177.6	-179.1	61.6	0	0	0	112.2	D52 E53 E54 R59 L60 Y101	D52-L56 PolarHBondContact O-N 2.86Å; E53-L56 PolarHBondContact O-N 3Å; E54-L56 VanDerWaalsContact C-N 3.35Å; L56-R59 PolarHBondContact O-N 3.31Å; L56-L60 WeakPolarHBondContact O-CG 3.48Å; L56-L60 PolarHBondContact O-N 3.2Å; L56-L60 VanDerWaalsContact O-N 3.12Å; L56-Y101 HydrophobicContact CD1-CE2 4.1Å
57	N	95.3	Very high	94.9	Very high	98 Å²	98	56.9 Å²	56.9	52%	0.524	30%	0.3	S	S	.	.	H	α-helix	trans	-65.8	-38.9	175.8	-76.2	-44.6	0	0	0	111.8	E53 E54 L60 A61	E53-N57 WeakPolarHBondContact O-CB 3.33Å; E53-N57 VanDerWaalsContact O-CG 3.23Å; E53-N57 PolarHBondContact O-N 3.18Å; E53-N57 PolarHBondContact O-ND2 3.43Å; E54-N57 PolarHBondContact O-N 2.92Å; N57-L60 PolarHBondContact O-N 3.04Å; N57-A61 PolarHBondContact O-N 3.07Å
58	H	95.8	Very high	94.9	Very high	69 Å²	69	57.7 Å²	57.7	32%	0.319	31%	0.308	S	S	.	.	H	α-helix	trans	-59.6	-46.3	173.8	-170.4	48.8	0	0	0	111.7	E54 E55 L60 A61 V62 D160 I162	E54-H58 WeakPolarHBondContact O-CB 3.48Å; E54-H58 PolarHBondContact O-N 3.29Å; E55-H58 PolarHBondContact O-N 3.42Å; H58-L60 VanDerWaalsContact C-N 3.31Å; H58-L60 PolarHBondContact O-N 3.31Å; H58-A61 PolarHBondContact O-N 2.88Å; H58-A61 VanDerWaalsContact O-N 3.16Å; H58-V62 PolarHBondContact O-N 3.28Å; H58-D160 VanDerWaalsContact CE1-CG 3.47Å; H58-D160 IonicContact CE1-OD1 2.83Å; H58-D160 IonicContact CE1-OD2 3.2Å; H58-D160 PolarHBondContact NE2-O 2.89Å; H58-D160 IonicContact NE2-OD1 2.93Å; H58-I162 WeakPolarHBondContact CD2-CD1 3.41Å
59	R	96.2	Very high	95.1	Very high	9 Å²	9	57 Å²	57	3%	0.034	30%	0.297	C	S	.	.	H	α-helix	trans	-59.3	-38.2	174.5	-68.5	-179.2	-172.8	-85.6	10.4	113.3	E51 E55 L56 L63 Y101 A110 I112 I162	E51-R59 IonicContact OE1-CZ 3.69Å; E51-R59 IonicContact OE1-NE 2.76Å; E51-R59 PolarHBondContact OE1-NE 3.08Å; E51-R59 IonicContact OE1-NH2 3.9Å; E51-R59 PolarHBondContact OE1-NH2 3.38Å; E51-R59 VanDerWaalsContact OE2-CD 3.27Å; E51-R59 WeakPolarHBondContact OE2-CD 3.48Å; E51-R59 IonicContact OE2-CZ 2.67Å; E51-R59 IonicContact OE2-NE 3.62Å; E51-R59 PolarHBondContact OE2-NE 2.81Å; E55-R59 WeakPolarHBondContact O-CG 3.31Å; E55-R59 PolarHBondContact O-N 3.24Å; L56-R59 PolarHBondContact O-N 3.31Å; R59-L63 WeakPolarHBondContact O-CB 3.4Å; R59-L63 WeakPolarHBondContact O-CG 3.4Å; R59-L63 PolarHBondContact O-N 3.36Å; R59-Y101 HydrophobicContact CB-CE2 4Å; R59-Y101 VanDerWaalsContact CD-CE2 3.48Å; R59-Y101 HydrophobicContact CG-CE2 4.41Å; R59-A110 VanDerWaalsContact CZ-O 3.31Å; R59-A110 PolarHBondContact NH1-O 3.24Å; R59-A110 PolarHBondContact NH2-O 3.06Å; R59-I112 HydrophobicContact CB-CD1 3.92Å; R59-I112 HydrophobicContact CG-CD1 3.97Å; R59-I162 HydrophobicContact CB-CD1 4.25Å; R59-I162 HydrophobicContact CG-CD1 3.63Å; R59-I162 HydrophobicContact CG-CG1 4.3Å
60	L	95.4	Very high	95.3	Very high	93 Å²	93	56.7 Å²	56.7	49%	0.487	30%	0.295	S	S	.	.	H	α-helix	trans	-67.6	-39.4	176.3	-70.5	168.9	0	0	0	111.8	L56 N57 H58 G64	L56-L60 WeakPolarHBondContact O-CG 3.48Å; L56-L60 PolarHBondContact O-N 3.2Å; L56-L60 VanDerWaalsContact O-N 3.12Å; N57-L60 PolarHBondContact O-N 3.04Å; H58-L60 VanDerWaalsContact C-N 3.31Å; H58-L60 PolarHBondContact O-N 3.31Å; L60-G64 PolarHBondContact O-N 3.4Å
61	A	96.9	Very high	95.4	Very high	52 Å²	52	56.6 Å²	56.6	43%	0.43	30%	0.295	S	S	.	.	H	α-helix	trans	-64	-46.3	175.1	0	0	0	0	0	112	N57 H58 L63 G64 K65	N57-A61 PolarHBondContact O-N 3.07Å; H58-A61 PolarHBondContact O-N 2.88Å; H58-A61 VanDerWaalsContact O-N 3.16Å; A61-L63 PolarHBondContact O-N 3.23Å; A61-G64 WeakPolarHBondContact O-CA 3.3Å; A61-G64 PolarHBondContact O-N 3.46Å; A61-G64 VanDerWaalsContact O-N 3.11Å; A61-K65 PolarHBondContact O-N 3.09Å
62	V	97	Very high	95.6	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-62.5	-41.2	176.8	170.5	0	0	0	0	112.1	H58 G64 K65 L66 F159 D160 I162 I164	H58-V62 PolarHBondContact O-N 3.28Å; V62-G64 VanDerWaalsContact C-N 3.3Å; V62-G64 PolarHBondContact O-N 2.97Å; V62-K65 PolarHBondContact O-N 3.12Å; V62-L66 WeakPolarHBondContact O-CB 3.36Å; V62-L66 PolarHBondContact O-N 2.98Å; V62-F159 HydrophobicContact CG1-CB 3.82Å; V62-F159 HydrophobicContact CG1-CD1 3.8Å; V62-F159 HydrophobicContact CG1-CD2 4.43Å; V62-F159 HydrophobicContact CG1-CG 3.75Å; V62-D160 HydrophobicContact CG2-CB 3.65Å; V62-I162 HydrophobicContact CB-CD1 4.26Å; V62-I162 HydrophobicContact CG2-CD1 3.95Å; V62-I164 HydrophobicContact CG1-CD1 3.82Å
63	L	97.1	Very high	96	Very high	23 Å²	23	55.8 Å²	55.8	12%	0.12	29%	0.288	C	S	.	.	H	α-helix	trans	-64.1	-34.3	172.7	-79.7	168.4	0	0	0	112.7	R59 A61 N67 I95 T97 Y101 I112	R59-L63 WeakPolarHBondContact O-CB 3.4Å; R59-L63 WeakPolarHBondContact O-CG 3.4Å; R59-L63 PolarHBondContact O-N 3.36Å; A61-L63 PolarHBondContact O-N 3.23Å; L63-N67 VanDerWaalsContact O-CB 3.25Å; L63-N67 WeakPolarHBondContact O-CB 3.36Å; L63-N67 PolarHBondContact O-N 2.92Å; L63-I95 HydrophobicContact CD2-CG2 4.46Å; L63-T97 HydrophobicContact CD1-CG2 3.7Å; L63-T97 HydrophobicContact CD2-CG2 3.74Å; L63-T97 HydrophobicContact CG-CG2 4.4Å; L63-Y101 HydrophobicContact CD1-CD1 4.38Å; L63-Y101 HydrophobicContact CD1-CE1 3.5Å; L63-I112 HydrophobicContact CD1-CD1 4.18Å; L63-I112 HydrophobicContact CD1-CG2 4.37Å; L63-I112 HydrophobicContact CD2-CG2 4.2Å; L63-I112 HydrophobicContact CG-CD1 4.27Å
64	G	97.2	Very high	96.3	Very high	34 Å²	34	48.5 Å²	48.5	35%	0.351	25%	0.254	S	S	.	.	H	α-helix	trans	-61.5	-52.5	171	0	0	0	0	0	112.3	L60 A61 V62 L66 N67 N68	L60-G64 PolarHBondContact O-N 3.4Å; A61-G64 WeakPolarHBondContact O-CA 3.3Å; A61-G64 PolarHBondContact O-N 3.46Å; A61-G64 VanDerWaalsContact O-N 3.11Å; V62-G64 VanDerWaalsContact C-N 3.3Å; V62-G64 PolarHBondContact O-N 2.97Å; G64-L66 PolarHBondContact O-N 2.95Å; G64-N67 PolarHBondContact O-N 2.84Å; G64-N68 PolarHBondContact O-N 3.48Å
65	K	97.2	Very high	96.4	Very high	70 Å²	70	42.8 Å²	42.8	30%	0.304	23%	0.232	S	C	.	.	H	α-helix	trans	-52.3	-55.7	174.5	-66.2	179.4	-176.1	179.5	0	110.6	A61 V62 N67 N68 L69 E140 F159 D160	A61-K65 PolarHBondContact O-N 3.09Å; V62-K65 PolarHBondContact O-N 3.12Å; K65-N67 VanDerWaalsContact C-N 3.34Å; K65-N67 PolarHBondContact O-N 3.23Å; K65-N68 WeakPolarHBondContact O-CB 3.46Å; K65-N68 PolarHBondContact O-N 3.16Å; K65-N68 VanDerWaalsContact O-N 3.11Å; K65-L69 PolarHBondContact O-N 3.38Å; K65-L69 VanDerWaalsContact O-N 3.13Å; K65-E140 WeakPolarHBondContact CE-OE1 3.46Å; K65-E140 IonicContact NZ-OE1 2.77Å; K65-E140 PolarHBondContact NZ-OE1 3.34Å; K65-F159 HydrophobicContact CB-CE1 3.95Å; K65-F159 HydrophobicContact CB-CZ 3.63Å; K65-F159 HydrophobicContact CD-CE2 3.85Å; K65-F159 HydrophobicContact CD-CZ 3.79Å; K65-F159 HydrophobicContact CG-CZ 4.36Å; K65-D160 IonicContact NZ-OD2 3.77Å; K65-D160 PolarHBondContact NZ-OD2 3.06Å
66	L	97.9	Very high	96.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.6	-36	-175.1	-169.6	66	0	0	0	113.1	V62 G64 N68 L69 V70 I95 F131 L135 F157 F159 I164	V62-L66 WeakPolarHBondContact O-CB 3.36Å; V62-L66 PolarHBondContact O-N 2.98Å; G64-L66 PolarHBondContact O-N 2.95Å; L66-N68 VanDerWaalsContact C-N 3.31Å; L66-N68 PolarHBondContact O-N 3.1Å; L66-L69 HydrophobicContact CD1-CD1 4.46Å; L66-L69 PolarHBondContact O-N 3.23Å; L66-V70 PolarHBondContact O-N 3.16Å; L66-V70 VanDerWaalsContact O-N 3.07Å; L66-I95 HydrophobicContact CB-CD1 3.95Å; L66-I95 HydrophobicContact CD2-CD1 3.75Å; L66-I95 HydrophobicContact CG-CD1 3.5Å; L66-F131 HydrophobicContact CD1-CZ 4.42Å; L66-L135 HydrophobicContact CD1-CD2 3.73Å; L66-F157 HydrophobicContact CD1-CE2 4.04Å; L66-F157 HydrophobicContact CD1-CZ 3.7Å; L66-F157 HydrophobicContact CD2-CE2 4.46Å; L66-F157 HydrophobicContact CD2-CZ 3.83Å; L66-F157 HydrophobicContact CG-CZ 4.44Å; L66-F159 HydrophobicContact CB-CD1 4.18Å; L66-F159 HydrophobicContact CB-CE1 3.93Å; L66-F159 HydrophobicContact CD1-CD1 4.13Å; L66-F159 HydrophobicContact CD1-CE1 4.06Å; L66-I164 HydrophobicContact CD2-CD1 3.94Å; L66-I164 HydrophobicContact CD2-CG2 4.13Å
67	N	97.2	Very high	96.9	Very high	35 Å²	35	40.5 Å²	40.5	19%	0.187	22%	0.22	C	C	.	.	H	α-helix	trans	-67.7	-31.4	176.8	-177.6	90.3	0	0	0	112.3	L63 G64 K65 K71 I95	L63-N67 VanDerWaalsContact O-CB 3.25Å; L63-N67 WeakPolarHBondContact O-CB 3.36Å; L63-N67 PolarHBondContact O-N 2.92Å; G64-N67 PolarHBondContact O-N 2.84Å; K65-N67 VanDerWaalsContact C-N 3.34Å; K65-N67 PolarHBondContact O-N 3.23Å; N67-K71 PolarHBondContact O-N 3Å; N67-K71 VanDerWaalsContact O-N 3.14Å; N67-I95 HydrophobicContact CB-CB 4.45Å; N67-I95 HydrophobicContact CB-CD1 4.19Å; N67-I95 HydrophobicContact CB-CG1 4.28Å; N67-I95 PolarHBondContact OD1-N 3.4Å
68	N	96.7	Very high	97	Very high	88 Å²	88	35.9 Å²	35.9	47%	0.471	20%	0.195	S	C	.	.	H	α-helix	trans	-69.2	-46.4	172.8	-66.7	-6.7	0	0	0	110.9	G64 K65 L66 V70 K71 E72	G64-N68 PolarHBondContact O-N 3.48Å; K65-N68 WeakPolarHBondContact O-CB 3.46Å; K65-N68 PolarHBondContact O-N 3.16Å; K65-N68 VanDerWaalsContact O-N 3.11Å; L66-N68 VanDerWaalsContact C-N 3.31Å; L66-N68 PolarHBondContact O-N 3.1Å; N68-V70 PolarHBondContact O-N 3.46Å; N68-K71 PolarHBondContact O-N 3.07Å; N68-E72 WeakPolarHBondContact O-CG 3.46Å; N68-E72 PolarHBondContact O-N 3.47Å
69	L	97.6	Very high	97	Very high	13 Å²	13	38.2 Å²	38.2	7%	0.068	21%	0.206	C	C	.	.	H	α-helix	trans	-55.3	-37.4	175	-59.7	-176.4	0	0	0	112.5	K65 L66 W73 F131 L135 H138 F159	K65-L69 PolarHBondContact O-N 3.38Å; K65-L69 VanDerWaalsContact O-N 3.13Å; L66-L69 HydrophobicContact CD1-CD1 4.46Å; L66-L69 PolarHBondContact O-N 3.23Å; L69-W73 WeakPolarHBondContact O-CB 2.63Å; L69-W73 PolarHBondContact O-N 3.26Å; L69-F131 HydrophobicContact CB-CE2 4.28Å; L69-L135 HydrophobicContact CD1-CD2 4.39Å; L69-H138 VanDerWaalsContact CD2-CE1 3.44Å; L69-H138 WeakPolarHBondContact CD2-CE1 3.36Å; L69-H138 WeakPolarHBondContact CD2-NE2 3.43Å; L69-F159 HydrophobicContact CD1-CE1 4.21Å; L69-F159 HydrophobicContact CD1-CZ 4.33Å
70	V	97.8	Very high	96.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.5	-41.4	174	164.7	0	0	0	0	112.4	L66 N68 I74 I95 F131	L66-V70 PolarHBondContact O-N 3.16Å; L66-V70 VanDerWaalsContact O-N 3.07Å; N68-V70 PolarHBondContact O-N 3.46Å; V70-I74 HydrophobicContact CG1-CD1 3.74Å; V70-I74 WeakPolarHBondContact O-CB 3.41Å; V70-I74 WeakPolarHBondContact O-CD1 3.35Å; V70-I74 VanDerWaalsContact O-CG1 3.23Å; V70-I74 WeakPolarHBondContact O-CG1 3.4Å; V70-I74 PolarHBondContact O-N 3.07Å; V70-I95 HydrophobicContact CB-CD1 4.42Å; V70-I95 HydrophobicContact CB-CG1 4.28Å; V70-I95 HydrophobicContact CG1-CG1 4.48Å; V70-I95 HydrophobicContact CG2-CD1 3.8Å; V70-I95 HydrophobicContact CG2-CG1 3.94Å; V70-F131 HydrophobicContact CG2-CE1 4.2Å; V70-F131 HydrophobicContact CG2-CE2 4Å; V70-F131 HydrophobicContact CG2-CZ 3.52Å
71	K	96.6	Very high	96.9	Very high	62 Å²	62	42.9 Å²	42.9	27%	0.27	23%	0.228	S	C	.	.	H	α-helix	trans	-67.8	-42.1	176.6	-77.8	-170.6	172	-172.6	0	111.9	N67 N68 I74 A75 G93 D178	N67-K71 PolarHBondContact O-N 3Å; N67-K71 VanDerWaalsContact O-N 3.14Å; N68-K71 PolarHBondContact O-N 3.07Å; K71-I74 PolarHBondContact O-N 3.09Å; K71-A75 PolarHBondContact O-N 3.35Å; K71-A75 VanDerWaalsContact O-N 3.07Å; K71-G93 WeakPolarHBondContact CE-O 3.43Å; K71-G93 VanDerWaalsContact CG-O 3.3Å; K71-G93 WeakPolarHBondContact CG-O 3.46Å; K71-D178 IonicContact NZ-OD1 2.85Å; K71-D178 PolarHBondContact NZ-OD1 3.15Å; K71-D178 IonicContact NZ-OD2 3.34Å; K71-D178 PolarHBondContact NZ-OD2 3.28Å
72	E	96.5	Very high	96.8	Very high	90 Å²	90	47.3 Å²	47.3	42%	0.421	24%	0.244	S	C	.	.	H	α-helix	trans	-59.8	-51.8	174.6	-70.5	160.3	-153	0	0	111.2	N68 I74 A75 E76	N68-E72 WeakPolarHBondContact O-CG 3.46Å; N68-E72 PolarHBondContact O-N 3.47Å; E72-I74 VanDerWaalsContact C-N 3.34Å; E72-I74 PolarHBondContact O-N 3.21Å; E72-A75 WeakPolarHBondContact O-CB 3.3Å; E72-A75 PolarHBondContact O-N 3.28Å; E72-A75 VanDerWaalsContact O-N 3.1Å; E72-E76 WeakPolarHBondContact O-CG 3.48Å; E72-E76 PolarHBondContact O-N 2.95Å
73	W	98	Very high	96.7	Very high	3 Å²	3	49.3 Å²	49.3	1%	0.011	26%	0.255	C	S	.	.	H	α-helix	trans	-59	-41	177.7	168.7	59.8	0	0	0	113.5	L69 A75 E76 I77 V122 D126 F127 S130 F131 K134 F168	L69-W73 WeakPolarHBondContact O-CB 2.63Å; L69-W73 PolarHBondContact O-N 3.26Å; W73-A75 VanDerWaalsContact C-N 3.3Å; W73-A75 PolarHBondContact O-N 2.93Å; W73-E76 PolarHBondContact O-N 3.29Å; W73-I77 HydrophobicContact CZ2-CG1 4.44Å; W73-I77 WeakPolarHBondContact O-CG1 3.28Å; W73-I77 PolarHBondContact O-N 2.82Å; W73-V122 HydrophobicContact CH2-CG1 3.25Å; W73-V122 HydrophobicContact CZ2-CG1 3.51Å; W73-V122 HydrophobicContact CZ3-CG1 3.95Å; W73-D126 HydrophobicContact CZ2-CB 3.84Å; W73-F127 HydrophobicContact CH2-CB 3.88Å; W73-F127 HydrophobicContact CH2-CD2 4.13Å; W73-F127 HydrophobicContact CZ2-CB 4.27Å; W73-F127 HydrophobicContact CZ3-CD2 4.31Å; W73-S130 PolarHBondContact NE1-OG 2.93Å; W73-F131 HydrophobicContact CB-CD2 3.63Å; W73-F131 HydrophobicContact CB-CE2 4Å; W73-F131 HydrophobicContact CD2-CB 3.75Å; W73-F131 AromaticContact CD2-CD2 3.51Å; W73-F131 HydrophobicContact CD2-CD2 3.51Å; W73-F131 HydrophobicContact CD2-CE2 4.38Å; W73-F131 AromaticContact CD2-CG 3.86Å; W73-F131 HydrophobicContact CD2-CG 3.86Å; W73-F131 HydrophobicContact CE3-CB 4.18Å; W73-F131 AromaticContact CE3-CD2 3.71Å; W73-F131 HydrophobicContact CE3-CD2 3.71Å; W73-F131 HydrophobicContact CE3-CE2 4.29Å; W73-F131 AromaticContact CE3-CG 3.96Å; W73-F131 HydrophobicContact CE3-CG 3.96Å; W73-F131 HydrophobicContact CG-CB 4.14Å; W73-F131 AromaticContact CG-CD2 3.44Å; W73-F131 HydrophobicContact CG-CD2 3.44Å; W73-F131 VanDerWaalsContact CG-CD2 3.44Å; W73-F131 HydrophobicContact CG-CE2 4.26Å; W73-F131 HydrophobicContact CG-CG 4.18Å; W73-F131 HydrophobicContact CH2-CB 4.36Å; W73-F131 HydrophobicContact CZ2-CB 3.96Å; W73-F131 HydrophobicContact CZ3-CB 4.47Å; W73-F131 HydrophobicContact CZ3-CG 4.43Å; W73-K134 HydrophobicContact CB-CD 3.92Å; W73-F168 HydrophobicContact CH2-CD2 4.39Å; W73-F168 AromaticContact CH2-CE2 3.79Å; W73-F168 HydrophobicContact CH2-CE2 3.79Å; W73-F168 HydrophobicContact CZ3-CE2 4.15Å
74	I	98	Very high	96.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-68.9	-31	178	-70.1	168.5	0	0	0	111	V70 K71 E72 S78 V91 G92 A118 P119 V122	V70-I74 HydrophobicContact CG1-CD1 3.74Å; V70-I74 WeakPolarHBondContact O-CB 3.41Å; V70-I74 WeakPolarHBondContact O-CD1 3.35Å; V70-I74 VanDerWaalsContact O-CG1 3.23Å; V70-I74 WeakPolarHBondContact O-CG1 3.4Å; V70-I74 PolarHBondContact O-N 3.07Å; K71-I74 PolarHBondContact O-N 3.09Å; E72-I74 VanDerWaalsContact C-N 3.34Å; E72-I74 PolarHBondContact O-N 3.21Å; I74-S78 WeakPolarHBondContact O-CB 3.34Å; I74-S78 PolarHBondContact O-N 3.34Å; I74-S78 VanDerWaalsContact O-N 3.11Å; I74-S78 PolarHBondContact O-OG 3.18Å; I74-V91 HydrophobicContact CG2-CG1 3.88Å; I74-V91 HydrophobicContact CG2-CG2 3.8Å; I74-G92 WeakPolarHBondContact CG2-O 3.46Å; I74-A118 HydrophobicContact CD1-CB 3.81Å; I74-A118 HydrophobicContact CG1-CB 4.4Å; I74-P119 HydrophobicContact CG2-CG 3.95Å; I74-V122 HydrophobicContact CG1-CG2 4.32Å; I74-V122 HydrophobicContact CG2-CG2 4.15Å
75	A	96.7	Very high	96.3	Very high	25 Å²	25	55.5 Å²	55.5	21%	0.207	29%	0.29	C	S	.	.	H	α-helix	trans	-67.2	-48	170.1	0	0	0	0	0	111.5	K71 E72 W73 I77 S78 E79 I88	K71-A75 PolarHBondContact O-N 3.35Å; K71-A75 VanDerWaalsContact O-N 3.07Å; E72-A75 WeakPolarHBondContact O-CB 3.3Å; E72-A75 PolarHBondContact O-N 3.28Å; E72-A75 VanDerWaalsContact O-N 3.1Å; W73-A75 VanDerWaalsContact C-N 3.3Å; W73-A75 PolarHBondContact O-N 2.93Å; A75-I77 VanDerWaalsContact C-N 3.35Å; A75-I77 PolarHBondContact O-N 3.08Å; A75-S78 CarbonylContact O-C 3.59Å; A75-S78 WeakPolarHBondContact O-CA 3.14Å; A75-S78 VanDerWaalsContact O-CB 3.3Å; A75-S78 WeakPolarHBondContact O-CB 3.46Å; A75-S78 PolarHBondContact O-N 3.43Å; A75-E79 PolarHBondContact O-N 3.28Å; A75-I88 HydrophobicContact CB-CG2 4.18Å
76	E	96.3	Very high	95.9	Very high	79 Å²	79	56.4 Å²	56.4	37%	0.369	31%	0.306	S	S	.	.	H	α-helix	trans	-55.7	-45	176.8	-69.9	163.1	174.1	0	0	112	E72 W73 S78 E79 L80 K134	E72-E76 WeakPolarHBondContact O-CG 3.48Å; E72-E76 PolarHBondContact O-N 2.95Å; W73-E76 PolarHBondContact O-N 3.29Å; E76-S78 VanDerWaalsContact C-N 3.3Å; E76-S78 PolarHBondContact O-N 3.21Å; E76-E79 PolarHBondContact O-N 3.04Å; E76-L80 WeakPolarHBondContact O-CB 3.48Å; E76-L80 VanDerWaalsContact O-CG 3.32Å; E76-L80 WeakPolarHBondContact O-CG 3.34Å; E76-L80 PolarHBondContact O-N 3.22Å; E76-K134 IonicContact OE1-NZ 3.6Å; E76-K134 PolarHBondContact OE1-NZ 2.94Å; E76-K134 IonicContact OE2-NZ 3.97Å; E76-K134 PolarHBondContact OE2-NZ 3.37Å
77	I	97.5	Very high	95.5	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.041	32%	0.32	C	S	.	.	H	α-helix	trans	-68.9	-28.4	175.5	-65	-69.2	0	0	0	112.3	W73 A75 L80 K81 V122 D126 S130	W73-I77 HydrophobicContact CZ2-CG1 4.44Å; W73-I77 WeakPolarHBondContact O-CG1 3.28Å; W73-I77 PolarHBondContact O-N 2.82Å; A75-I77 VanDerWaalsContact C-N 3.35Å; A75-I77 PolarHBondContact O-N 3.08Å; I77-L80 HydrophobicContact CD1-CD1 4.25Å; I77-K81 HydrophobicContact CG2-CD 4.13Å; I77-K81 WeakPolarHBondContact O-CB 3.37Å; I77-K81 WeakPolarHBondContact O-CG 3.23Å; I77-K81 PolarHBondContact O-N 3.25Å; I77-V122 HydrophobicContact CB-CG2 4.35Å; I77-V122 HydrophobicContact CG2-CB 4.46Å; I77-V122 HydrophobicContact CG2-CG1 4.49Å; I77-V122 HydrophobicContact CG2-CG2 3.88Å; I77-D126 HydrophobicContact CD1-CB 4.13Å; I77-S130 WeakPolarHBondContact CD1-OG 3.37Å
78	S	96.7	Very high	95.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-72.2	-37.8	175.2	-59.2	0	0	0	0	111.9	I74 A75 E76 K81 N82 L83 H121	I74-S78 WeakPolarHBondContact O-CB 3.34Å; I74-S78 PolarHBondContact O-N 3.34Å; I74-S78 VanDerWaalsContact O-N 3.11Å; I74-S78 PolarHBondContact O-OG 3.18Å; A75-S78 CarbonylContact O-C 3.59Å; A75-S78 WeakPolarHBondContact O-CA 3.14Å; A75-S78 VanDerWaalsContact O-CB 3.3Å; A75-S78 WeakPolarHBondContact O-CB 3.46Å; A75-S78 PolarHBondContact O-N 3.43Å; E76-S78 VanDerWaalsContact C-N 3.3Å; E76-S78 PolarHBondContact O-N 3.21Å; S78-K81 CarbonylContact O-C 3.6Å; S78-N82 PolarHBondContact O-N 3.48Å; S78-L83 WeakPolarHBondContact O-CB 3.28Å; S78-L83 PolarHBondContact O-N 2.98Å; S78-H121 PolarHBondContact OG-NE2 3.13Å
79	E	96	Very high	94.8	Very high	119 Å²	119	58 Å²	58	56%	0.556	33%	0.326	S	S	*	.	H	α-helix	trans	-65.9	-49	172.2	-73.2	174.2	-168.5	0	0	111.4	A75 E76 K81 N82 I88	A75-E79 PolarHBondContact O-N 3.28Å; E76-E79 PolarHBondContact O-N 3.04Å; E79-K81 VanDerWaalsContact C-N 3.27Å; E79-K81 PolarHBondContact O-N 3.45Å; E79-N82 WeakPolarHBondContact O-CA 3.41Å; E79-N82 PolarHBondContact O-N 3.17Å; E79-I88 HydrophobicContact CB-CD1 4.47Å; E79-I88 HydrophobicContact CG-CD1 3.56Å; E79-I88 HydrophobicContact CG-CG1 4.3Å; E79-I88 HydrophobicContact CG-CG2 4.22Å
80	L	95.4	Very high	94.4	Very high	128 Å²	128	61.5 Å²	61.5	67%	0.67	35%	0.351	S	S	*	.	H	α-helix	trans	-59.7	-35	176.8	-72	169.1	0	0	0	112.9	E76 I77 N82	E76-L80 WeakPolarHBondContact O-CB 3.48Å; E76-L80 VanDerWaalsContact O-CG 3.32Å; E76-L80 WeakPolarHBondContact O-CG 3.34Å; E76-L80 PolarHBondContact O-N 3.22Å; I77-L80 HydrophobicContact CD1-CD1 4.25Å; L80-N82 PolarHBondContact O-N 3.07Å; L80-N82 PolarHBondContact O-ND2 2.97Å
81	K	95.3	Very high	94.2	Very high	72 Å²	72	61.7 Å²	61.7	31%	0.313	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	15	174.4	-63.3	-174.7	-176.4	-179	0	113.3	I77 S78 E79 L83 H121 E123 D126	I77-K81 HydrophobicContact CG2-CD 4.13Å; I77-K81 WeakPolarHBondContact O-CB 3.37Å; I77-K81 WeakPolarHBondContact O-CG 3.23Å; I77-K81 PolarHBondContact O-N 3.25Å; S78-K81 CarbonylContact O-C 3.6Å; E79-K81 VanDerWaalsContact C-N 3.27Å; E79-K81 PolarHBondContact O-N 3.45Å; K81-L83 VanDerWaalsContact C-N 3.35Å; K81-L83 HydrophobicContact CB-CD1 4.02Å; K81-L83 PolarHBondContact O-N 3.38Å; K81-H121 WeakPolarHBondContact CD-O 3.43Å; K81-H121 PolarHBondContact NZ-O 2.59Å; K81-E123 IonicContact NZ-OE1 3.79Å; K81-E123 PolarHBondContact NZ-OE1 3.03Å; K81-D126 IonicContact NZ-OD1 3.22Å; K81-D126 IonicContact NZ-OD2 2.68Å; K81-D126 PolarHBondContact NZ-OD2 2.97Å
82	N	94.9	Very high	94.1	Very high	144 Å²	144	59.8 Å²	59.8	77%	0.77	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	38.6	170.8	-68.1	-103.1	0	0	0	114.2	S78 E79 L80	S78-N82 PolarHBondContact O-N 3.48Å; E79-N82 WeakPolarHBondContact O-CA 3.41Å; E79-N82 PolarHBondContact O-N 3.17Å; L80-N82 PolarHBondContact O-N 3.07Å; L80-N82 PolarHBondContact O-ND2 2.97Å
83	L	94.2	Very high	94	Very high	43 Å²	43	55.5 Å²	55.5	23%	0.225	33%	0.33	C	S	.	.			trans	-70.3	152	171.8	-83.5	66.8	0	0	0	110.8	S78 K81 I88	S78-L83 WeakPolarHBondContact O-CB 3.28Å; S78-L83 PolarHBondContact O-N 2.98Å; K81-L83 VanDerWaalsContact C-N 3.35Å; K81-L83 HydrophobicContact CB-CD1 4.02Å; K81-L83 PolarHBondContact O-N 3.38Å; L83-I88 HydrophobicContact CB-CD1 4.47Å; L83-I88 HydrophobicContact CB-CG1 4.03Å; L83-I88 WeakPolarHBondContact O-CD1 3.49Å
84	P	93.7	Very high	93.9	Very high	77 Å²	77	57.6 Å²	57.6	50%	0.5	34%	0.339	S	S	.	.			trans	-59.7	144.7	173.8	-24.6	34.5	0	0	0	112.3	S86 A87 I88	P84-S86 PolarHBondContact O-N 2.63Å; P84-S86 VanDerWaalsContact O-N 3.11Å; P84-A87 HydrophobicContact CB-CB 4.46Å; P84-A87 WeakPolarHBondContact O-CA 3.29Å; P84-A87 WeakPolarHBondContact O-CB 3.11Å; P84-A87 PolarHBondContact O-N 3.35Å; P84-I88 PolarHBondContact O-N 2.81Å
85	P	91.3	Very high	93.9	Very high	109 Å²	109	58.4 Å²	58.4	71%	0.708	34%	0.343	S	S	*	.	H	α-helix	trans	-54.5	-32.7	177.4	-29.7	36.5	0	0	0	114.5	A87 I88 S89	P85-A87 VanDerWaalsContact C-N 3.3Å; P85-A87 PolarHBondContact O-N 3.49Å; P85-I88 PolarHBondContact O-N 2.92Å; P85-S89 PolarHBondContact O-N 3.3Å; P85-S89 PolarHBondContact O-OG 2.92Å
86	S	89.8	Confident	93.9	Very high	90 Å²	90	58.4 Å²	58.4	63%	0.629	34%	0.338	S	S	*	.	H	α-helix	trans	-71.3	-19.7	174.4	52.5	0	0	0	0	114.5	P84 S89	P84-S86 PolarHBondContact O-N 2.63Å; P84-S86 VanDerWaalsContact O-N 3.11Å; S86-S89 PolarHBondContact O-OG 2.95Å
87	A	88.9	Confident	94	Very high	37 Å²	37	55.8 Å²	55.8	31%	0.306	33%	0.328	S	S	.	.	H	α-helix	trans	-87.9	-38.8	170.6	0	0	0	0	0	111.1	P84 P85 C90 V91	P84-A87 HydrophobicContact CB-CB 4.46Å; P84-A87 WeakPolarHBondContact O-CA 3.29Å; P84-A87 WeakPolarHBondContact O-CB 3.11Å; P84-A87 PolarHBondContact O-N 3.35Å; P85-A87 VanDerWaalsContact C-N 3.3Å; P85-A87 PolarHBondContact O-N 3.49Å; A87-C90 CarbonylContact O-C 3.4Å; A87-C90 PolarHBondContact O-N 2.96Å; A87-C90 VanDerWaalsContact O-N 3.16Å; A87-V91 PolarHBondContact O-N 3Å
88	I	91.1	Very high	94	Very high	24 Å²	24	56.5 Å²	56.5	12%	0.123	33%	0.331	C	S	.	.	H	α-helix	trans	-59.4	-48	176.7	-65.2	156.4	0	0	0	110.6	A75 E79 L83 P84 P85 C90 V91	A75-I88 HydrophobicContact CB-CG2 4.18Å; E79-I88 HydrophobicContact CB-CD1 4.47Å; E79-I88 HydrophobicContact CG-CD1 3.56Å; E79-I88 HydrophobicContact CG-CG1 4.3Å; E79-I88 HydrophobicContact CG-CG2 4.22Å; L83-I88 HydrophobicContact CB-CD1 4.47Å; L83-I88 HydrophobicContact CB-CG1 4.03Å; L83-I88 WeakPolarHBondContact O-CD1 3.49Å; P84-I88 PolarHBondContact O-N 2.81Å; P85-I88 PolarHBondContact O-N 2.92Å; I88-C90 PolarHBondContact O-N 3.48Å; I88-V91 WeakPolarHBondContact O-CG1 3.4Å; I88-V91 PolarHBondContact O-N 3.18Å
89	S	88.5	Confident	93.9	Very high	94 Å²	94	57.3 Å²	57.3	66%	0.657	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.4	178.6	65.7	0	0	0	0	114.6	P85 S86	P85-S89 PolarHBondContact O-N 3.3Å; P85-S89 PolarHBondContact O-OG 2.92Å; S86-S89 PolarHBondContact O-OG 2.95Å
90	C	90.1	Very high	93.9	Very high	87 Å²	87	52.7 Å²	52.7	59%	0.588	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	10.8	-178.4	-66.7	0	0	0	0	113.3	A87 I88 G92 S175	A87-C90 CarbonylContact O-C 3.4Å; A87-C90 PolarHBondContact O-N 2.96Å; A87-C90 VanDerWaalsContact O-N 3.16Å; I88-C90 PolarHBondContact O-N 3.48Å; C90-G92 VanDerWaalsContact C-N 3.34Å; C90-G92 PolarHBondContact O-N 3.05Å; C90-S175 WeakPolarHBondContact O-CB 3.16Å
91	V	93.7	Very high	94	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.03	29%	0.292	C	S	.	.			trans	-68.7	-34.1	-175.2	72.7	0	0	0	0	112.4	I74 A87 I88 P119 S175 I176	I74-V91 HydrophobicContact CG2-CG1 3.88Å; I74-V91 HydrophobicContact CG2-CG2 3.8Å; A87-V91 PolarHBondContact O-N 3Å; I88-V91 WeakPolarHBondContact O-CG1 3.4Å; I88-V91 PolarHBondContact O-N 3.18Å; V91-P119 HydrophobicContact CG2-CB 4.49Å; V91-P119 HydrophobicContact CG2-CG 3.76Å; V91-S175 CarbonylContact O-C 3.53Å; V91-S175 WeakPolarHBondContact O-CA 3.19Å; V91-S175 VanDerWaalsContact O-CB 3.27Å; V91-S175 WeakPolarHBondContact O-CB 3.28Å; V91-I176 PolarHBondContact O-N 3.4Å
92	G	94	Very high	94.1	Very high	21 Å²	21	49.2 Å²	49.2	22%	0.216	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	65.2	-142.4	-177.9	0	0	0	0	0	112.5	I74 C90	I74-G92 WeakPolarHBondContact CG2-O 3.46Å; C90-G92 VanDerWaalsContact C-N 3.34Å; C90-G92 PolarHBondContact O-N 3.05Å
93	G	95	Very high	94.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.262	C	S	.	.			trans	123.7	141.3	-169.3	0	0	0	0	0	109.4	K71	K71-G93 WeakPolarHBondContact CE-O 3.43Å; K71-G93 VanDerWaalsContact CG-O 3.3Å; K71-G93 WeakPolarHBondContact CG-O 3.46Å
94	K	95.8	Very high	94.3	Very high	47 Å²	47	41.5 Å²	41.5	20%	0.204	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	143.5	-170.5	-175.3	169.9	173.6	-172.1	0	113.1	F96 V117 I176 D178	K94-F96 HydrophobicContact CB-CD2 4.46Å; K94-F96 HydrophobicContact CB-CE2 3.93Å; K94-F96 HydrophobicContact CD-CD2 4.43Å; K94-F96 HydrophobicContact CD-CE1 4.42Å; K94-F96 HydrophobicContact CD-CE2 3.7Å; K94-F96 HydrophobicContact CD-CZ 3.7Å; K94-F96 HydrophobicContact CG-CD2 4.08Å; K94-F96 HydrophobicContact CG-CE2 3.71Å; K94-F96 HydrophobicContact CG-CZ 4.23Å; K94-V117 PolarHBondContact N-O 3.48Å; K94-V117 PolarHBondContact O-N 3.45Å; K94-I176 HydrophobicContact CB-CG2 4.16Å; K94-D178 PolarHBondContact NZ-O 3.15Å
95	I	96.9	Very high	94.4	Very high	17 Å²	17	38 Å²	38	9%	0.087	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	135	168.2	-58.9	-176.1	0	0	0	110.6	L63 L66 N67 V70 A114 L115	L63-I95 HydrophobicContact CD2-CG2 4.46Å; L66-I95 HydrophobicContact CB-CD1 3.95Å; L66-I95 HydrophobicContact CD2-CD1 3.75Å; L66-I95 HydrophobicContact CG-CD1 3.5Å; N67-I95 HydrophobicContact CB-CB 4.45Å; N67-I95 HydrophobicContact CB-CD1 4.19Å; N67-I95 HydrophobicContact CB-CG1 4.28Å; N67-I95 PolarHBondContact OD1-N 3.4Å; V70-I95 HydrophobicContact CB-CD1 4.42Å; V70-I95 HydrophobicContact CB-CG1 4.28Å; V70-I95 HydrophobicContact CG1-CG1 4.48Å; V70-I95 HydrophobicContact CG2-CD1 3.8Å; V70-I95 HydrophobicContact CG2-CG1 3.94Å; I95-A114 HydrophobicContact CG2-CB 4.11Å; I95-L115 WeakPolarHBondContact CA-O 3.34Å
96	F	97.6	Very high	94.6	Very high	25 Å²	25	33.2 Å²	33.2	11%	0.11	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123.1	170.3	-68.7	-103.9	0	0	0	109.2	K94 L115 V117 L180 L182	K94-F96 HydrophobicContact CB-CD2 4.46Å; K94-F96 HydrophobicContact CB-CE2 3.93Å; K94-F96 HydrophobicContact CD-CD2 4.43Å; K94-F96 HydrophobicContact CD-CE1 4.42Å; K94-F96 HydrophobicContact CD-CE2 3.7Å; K94-F96 HydrophobicContact CD-CZ 3.7Å; K94-F96 HydrophobicContact CG-CD2 4.08Å; K94-F96 HydrophobicContact CG-CE2 3.71Å; K94-F96 HydrophobicContact CG-CZ 4.23Å; F96-L115 HydrophobicContact CB-CB 4.49Å; F96-L115 PolarHBondContact N-O 3.46Å; F96-L115 PolarHBondContact O-N 3.06Å; F96-V117 HydrophobicContact CD2-CB 4.11Å; F96-V117 HydrophobicContact CD2-CG2 3.52Å; F96-V117 HydrophobicContact CE2-CB 4.01Å; F96-V117 HydrophobicContact CE2-CG1 4.47Å; F96-V117 HydrophobicContact CE2-CG2 3.79Å; F96-L180 WeakPolarHBondContact CE1-O 3.28Å; F96-L180 HydrophobicContact CE2-CD2 4.47Å; F96-L180 HydrophobicContact CZ-CB 4.22Å; F96-L180 HydrophobicContact CZ-CD2 4.26Å; F96-L180 HydrophobicContact CZ-CG 4.29Å; F96-L180 WeakPolarHBondContact CZ-O 3.16Å; F96-L182 HydrophobicContact CB-CD1 4.12Å; F96-L182 HydrophobicContact CD1-CD1 3.63Å; F96-L182 HydrophobicContact CD1-CG 4.09Å; F96-L182 HydrophobicContact CD2-CD1 3.9Å; F96-L182 HydrophobicContact CE1-CD1 3.9Å; F96-L182 HydrophobicContact CE1-CG 3.84Å; F96-L182 HydrophobicContact CE2-CD1 4.14Å; F96-L182 HydrophobicContact CE2-CD2 4.39Å; F96-L182 HydrophobicContact CE2-CG 4.37Å; F96-L182 HydrophobicContact CG-CD1 3.63Å; F96-L182 HydrophobicContact CG-CG 4.46Å; F96-L182 HydrophobicContact CZ-CD1 4.13Å; F96-L182 HydrophobicContact CZ-CD2 4.21Å; F96-L182 HydrophobicContact CZ-CG 3.98Å
97	T	97.6	Very high	94.7	Very high	25 Å²	25	30.4 Å²	30.4	15%	0.153	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	149	170.8	53.4	0	0	0	0	110.8	L63 Y101 R102 I112 D113	L63-T97 HydrophobicContact CD1-CG2 3.7Å; L63-T97 HydrophobicContact CD2-CG2 3.74Å; L63-T97 HydrophobicContact CG-CG2 4.4Å; T97-Y101 HydrophobicContact CG2-CD1 3.94Å; T97-Y101 HydrophobicContact CG2-CE1 4.07Å; T97-R102 WeakPolarHBondContact O-CG 3.35Å; T97-I112 HydrophobicContact CG2-CG2 3.8Å; T97-D113 CarbonylContact C-O 3.53Å; T97-D113 WeakPolarHBondContact CA-O 3.1Å
98	F	97.1	Very high	94.7	Very high	23 Å²	23	31.7 Å²	31.7	10%	0.101	18%	0.182	C	C	.	.			trans	-135.8	-161.6	174	66	-85	0	0	0	111.4	R102 D113 L115 L167 C202	F98-R102 VanDerWaalsContact C-CB 3.47Å; F98-R102 VanDerWaalsContact CA-CB 3.48Å; F98-R102 VanDerWaalsContact O-CB 3.24Å; F98-R102 WeakPolarHBondContact O-CB 3.26Å; F98-R102 PolarHBondContact O-N 2.97Å; F98-D113 HydrophobicContact CD1-CB 3.95Å; F98-D113 HydrophobicContact CD2-CB 3.71Å; F98-D113 HydrophobicContact CE1-CB 3.92Å; F98-D113 HydrophobicContact CE2-CB 3.66Å; F98-D113 HydrophobicContact CG-CB 3.83Å; F98-D113 HydrophobicContact CZ-CB 3.75Å; F98-D113 PolarHBondContact N-O 2.75Å; F98-L115 HydrophobicContact CD1-CB 4.4Å; F98-L115 HydrophobicContact CE1-CB 4.43Å; F98-L167 HydrophobicContact CE1-CD1 3.73Å; F98-L167 HydrophobicContact CE1-CG 4.11Å; F98-L167 HydrophobicContact CE2-CD1 4.4Å; F98-L167 HydrophobicContact CZ-CD1 3.41Å; F98-L167 VanDerWaalsContact CZ-CD1 3.41Å; F98-L167 HydrophobicContact CZ-CG 3.99Å; F98-C202 HydrophobicContact CB-CB 4.38Å
99	G	95.6	Very high	94.6	Very high	17 Å²	17	33 Å²	33	18%	0.175	20%	0.201	C	C	.	.	H	α-helix	trans	56.4	-137.5	169.1	0	0	0	0	0	113.7	L103 D113 T205	G99-L103 WeakPolarHBondContact O-CB 3.42Å; G99-L103 VanDerWaalsContact O-CG 3.25Å; G99-L103 WeakPolarHBondContact O-CG 3.36Å; G99-L103 PolarHBondContact O-N 3.23Å; G99-D113 VanDerWaalsContact CA-OD2 3.29Å; G99-D113 WeakPolarHBondContact CA-OD2 3.36Å; G99-T205 PolarHBondContact N-OG1 3.39Å; G99-T205 VanDerWaalsContact N-OG1 3.13Å
100	S	95.8	Very high	94.8	Very high	21 Å²	21	29 Å²	29	15%	0.147	17%	0.174	C	C	.	.	H	α-helix	trans	-75.8	-32.5	-164.3	96.8	0	0	0	0	113.9	G104 V105 H106 D113	S100-G104 PolarHBondContact O-N 2.9Å; S100-V105 CarbonylContact O-C 3.29Å; S100-V105 PolarHBondContact O-N 2.81Å; S100-H106 PolarHBondContact O-N 3.33Å; S100-H106 VanDerWaalsContact O-N 3.11Å; S100-H106 WeakPolarHBondContact OG-CB 3.36Å; S100-D113 PolarHBondContact N-OD2 2.88Å; S100-D113 VanDerWaalsContact N-OD2 3.1Å
101	Y	97	Very high	95	Very high	23 Å²	23	27.1 Å²	27.1	9%	0.09	16%	0.158	C	C	.	.	H	α-helix	trans	-69.2	-51	176	179	-101.1	0	0	0	111.6	L56 R59 L63 T97 L103 G104 H106 I112	L56-Y101 HydrophobicContact CD1-CE2 4.1Å; R59-Y101 HydrophobicContact CB-CE2 4Å; R59-Y101 VanDerWaalsContact CD-CE2 3.48Å; R59-Y101 HydrophobicContact CG-CE2 4.41Å; L63-Y101 HydrophobicContact CD1-CD1 4.38Å; L63-Y101 HydrophobicContact CD1-CE1 3.5Å; T97-Y101 HydrophobicContact CG2-CD1 3.94Å; T97-Y101 HydrophobicContact CG2-CE1 4.07Å; Y101-L103 VanDerWaalsContact C-N 3.32Å; Y101-L103 PolarHBondContact O-N 2.87Å; Y101-G104 WeakPolarHBondContact O-CA 3.46Å; Y101-G104 PolarHBondContact O-N 3.45Å; Y101-H106 AromaticContact CD2-CD2 3.87Å; Y101-H106 AromaticContact CD2-CE1 3.69Å; Y101-H106 AromaticContact CD2-CG 3.95Å; Y101-H106 AromaticContact CD2-ND1 3.88Å; Y101-H106 AromaticContact CD2-NE2 3.7Å; Y101-H106 AromaticContact CE2-NE2 3.96Å; Y101-I112 HydrophobicContact CD1-CG2 3.97Å; Y101-I112 HydrophobicContact CD2-CG1 4.43Å; Y101-I112 HydrophobicContact CG-CG1 4.37Å; Y101-I112 HydrophobicContact CG-CG2 4.25Å
102	R	97.2	Very high	95.2	Very high	104 Å²	104	26.9 Å²	26.9	39%	0.392	16%	0.157	S	C	.	.	H	α-helix	trans	-61.6	-36.3	178.9	176.2	64.7	175.4	-174.2	-7.6	113.1	T97 F98 G104 T205 D206	T97-R102 WeakPolarHBondContact O-CG 3.35Å; F98-R102 VanDerWaalsContact C-CB 3.47Å; F98-R102 VanDerWaalsContact CA-CB 3.48Å; F98-R102 VanDerWaalsContact O-CB 3.24Å; F98-R102 WeakPolarHBondContact O-CB 3.26Å; F98-R102 PolarHBondContact O-N 2.97Å; R102-G104 PolarHBondContact O-N 2.75Å; R102-T205 HydrophobicContact CB-CG2 3.85Å; R102-T205 HydrophobicContact CG-CG2 3.49Å; R102-T205 VanDerWaalsContact CG-CG2 3.49Å; R102-D206 IonicContact CZ-OD1 2.66Å; R102-D206 IonicContact CZ-OD2 2.69Å; R102-D206 IonicContact NE-OD1 3.19Å; R102-D206 PolarHBondContact NE-OD1 3.45Å; R102-D206 IonicContact NE-OD2 2.7Å; R102-D206 VanDerWaalsContact NH2-CG 3.3Å; R102-D206 IonicContact NH2-OD1 2.73Å; R102-D206 PolarHBondContact NH2-OD1 3.5Å; R102-D206 VanDerWaalsContact NH2-OD1 3.08Å; R102-D206 IonicContact NH2-OD2 2.85Å; R102-D206 PolarHBondContact NH2-OD2 3.17Å
103	L	97.3	Very high	95.4	Very high	10 Å²	10	27.6 Å²	27.6	5%	0.052	16%	0.155	C	C	.	.	H	α-helix	trans	-64.1	-22.2	172.5	-74.1	176.9	0	0	0	112.7	G99 Y101 V105 T205 I208 L209 F218 R219 L222 A248	G99-L103 WeakPolarHBondContact O-CB 3.42Å; G99-L103 VanDerWaalsContact O-CG 3.25Å; G99-L103 WeakPolarHBondContact O-CG 3.36Å; G99-L103 PolarHBondContact O-N 3.23Å; Y101-L103 VanDerWaalsContact C-N 3.32Å; Y101-L103 PolarHBondContact O-N 2.87Å; L103-V105 HydrophobicContact CB-CG2 3.76Å; L103-V105 HydrophobicContact CD1-CG2 4.22Å; L103-T205 HydrophobicContact CD2-CG2 3.85Å; L103-T205 HydrophobicContact CG-CG2 3.86Å; L103-I208 HydrophobicContact CD2-CG2 4.04Å; L103-L209 HydrophobicContact CD2-CD1 4.4Å; L103-L209 HydrophobicContact CD2-CD2 3.92Å; L103-L209 HydrophobicContact CD2-CG 3.89Å; L103-F218 HydrophobicContact CD2-CE1 4.09Å; L103-F218 HydrophobicContact CD2-CZ 4.19Å; L103-R219 WeakPolarHBondContact O-CG 3.41Å; L103-R219 PolarHBondContact O-NE 2.83Å; L103-L222 HydrophobicContact CD1-CD2 4.16Å; L103-A248 HydrophobicContact CD1-CB 3.86Å
104	G	96.2	Very high	95.5	Very high	16 Å²	16	27.6 Å²	27.6	17%	0.165	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	36.7	-172.4	0	0	0	0	0	112.6	S100 Y101 R102 R223	S100-G104 PolarHBondContact O-N 2.9Å; Y101-G104 WeakPolarHBondContact O-CA 3.46Å; Y101-G104 PolarHBondContact O-N 3.45Å; R102-G104 PolarHBondContact O-N 2.75Å; G104-R223 VanDerWaalsContact C-NH2 3.3Å; G104-R223 PolarHBondContact O-NE 2.72Å; G104-R223 PolarHBondContact O-NH2 3.13Å
105	V	96.7	Very high	95.7	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.012	15%	0.146	C	C	.	.			trans	-135.4	20.5	-178.3	-55.7	0	0	0	0	113.2	S100 L103 R219 L222 R223 K226	S100-V105 CarbonylContact O-C 3.29Å; S100-V105 PolarHBondContact O-N 2.81Å; L103-V105 HydrophobicContact CB-CG2 3.76Å; L103-V105 HydrophobicContact CD1-CG2 4.22Å; V105-R219 HydrophobicContact CG1-CB 4.08Å; V105-R219 HydrophobicContact CG1-CG 4Å; V105-L222 HydrophobicContact CB-CD2 4.42Å; V105-L222 HydrophobicContact CB-CG 4.41Å; V105-L222 HydrophobicContact CG1-CB 4.19Å; V105-L222 HydrophobicContact CG1-CD2 4.07Å; V105-L222 HydrophobicContact CG1-CG 4.2Å; V105-L222 HydrophobicContact CG2-CD2 3.82Å; V105-L222 HydrophobicContact CG2-CG 4.15Å; V105-R223 HydrophobicContact CB-CG 4.1Å; V105-R223 HydrophobicContact CG1-CG 4.21Å; V105-K226 HydrophobicContact CG2-CD 4.14Å; V105-K226 PolarHBondContact O-NZ 3.3Å
106	H	94.6	Very high	95.7	Very high	10 Å²	10	24.6 Å²	24.6	5%	0.046	14%	0.142	C	C	.	.			trans	-70.8	155.2	169.5	63	-67.4	0	0	0	111.2	E51 S100 Y101 A110 R223	E51-H106 VanDerWaalsContact CD-NE2 3.29Å; E51-H106 IonicContact OE1-CD2 3.14Å; E51-H106 PolarHBondContact OE1-CD2 3.39Å; E51-H106 IonicContact OE1-NE2 2.69Å; E51-H106 IonicContact OE2-CD2 3.92Å; E51-H106 PolarHBondContact OE2-CD2 3.03Å; E51-H106 VanDerWaalsContact OE2-CD2 3.31Å; E51-H106 IonicContact OE2-CE1 3.82Å; E51-H106 IonicContact OE2-NE2 3.38Å; E51-H106 PolarHBondContact OE2-NE2 3.02Å; S100-H106 PolarHBondContact O-N 3.33Å; S100-H106 VanDerWaalsContact O-N 3.11Å; S100-H106 WeakPolarHBondContact OG-CB 3.36Å; Y101-H106 AromaticContact CD2-CD2 3.87Å; Y101-H106 AromaticContact CD2-CE1 3.69Å; Y101-H106 AromaticContact CD2-CG 3.95Å; Y101-H106 AromaticContact CD2-ND1 3.88Å; Y101-H106 AromaticContact CD2-NE2 3.7Å; Y101-H106 AromaticContact CE2-NE2 3.96Å; H106-A110 HydrophobicContact CB-CB 4.06Å; H106-R223 PolarHBondContact O-NH1 2.71Å
107	T	92.9	Very high	95.7	Very high	30 Å²	30	23.4 Å²	23.4	18%	0.184	14%	0.136	C	C	.	.			trans	-108.8	168.6	176.9	54.9	0	0	0	0	109.7	V49 G109 A110	V49-T107 HydrophobicContact CB-CG2 4.21Å; V49-T107 HydrophobicContact CG1-CG2 4.26Å; T107-G109 PolarHBondContact O-N 3.38Å; T107-A110 WeakPolarHBondContact O-CB 3.39Å; T107-A110 PolarHBondContact O-N 2.93Å
108	K	88.9	Confident	95.7	Very high	65 Å²	65	22.2 Å²	22.2	28%	0.283	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	143	170.7	-58.3	-167.8	178.4	-128.6	0	110.6	F50 E51 D52 E55 A110	F50-K108 VanDerWaalsContact O-CE 3.27Å; F50-K108 WeakPolarHBondContact O-CE 3.32Å; E51-K108 HydrophobicContact CB-CG 4.44Å; D52-K108 WeakPolarHBondContact OD1-CE 3.44Å; D52-K108 IonicContact OD1-NZ 3.65Å; D52-K108 PolarHBondContact OD1-NZ 3.36Å; D52-K108 IonicContact OD2-NZ 3.15Å; D52-K108 PolarHBondContact OD2-NZ 2.86Å; E55-K108 WeakPolarHBondContact OE2-CD 3.49Å; E55-K108 WeakPolarHBondContact OE2-CE 3.28Å; E55-K108 IonicContact OE2-NZ 2.59Å; E55-K108 PolarHBondContact OE2-NZ 2.9Å; K108-A110 PolarHBondContact O-N 2.79Å; K108-A110 VanDerWaalsContact O-N 3.14Å
109	G	87.9	Confident	95.7	Very high	51 Å²	51	21.1 Å²	21.1	53%	0.526	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	-4.2	-175.2	0	0	0	0	0	116.3	T107 R533	T107-G109 PolarHBondContact O-N 3.38Å; G109-R533 PolarHBondContact O-NH1 2.84Å; G109-R533 PolarHBondContact O-NH2 3.14Å
110	A	92.6	Very high	95.7	Very high	11 Å²	11	26.5 Å²	26.5	9%	0.091	14%	0.139	C	C	.	.			trans	-65.2	154.3	176	0	0	0	0	0	112	R59 H106 T107 K108	R59-A110 VanDerWaalsContact CZ-O 3.31Å; R59-A110 PolarHBondContact NH1-O 3.24Å; R59-A110 PolarHBondContact NH2-O 3.06Å; H106-A110 HydrophobicContact CB-CB 4.06Å; T107-A110 WeakPolarHBondContact O-CB 3.39Å; T107-A110 PolarHBondContact O-N 2.93Å; K108-A110 PolarHBondContact O-N 2.79Å; K108-A110 VanDerWaalsContact O-N 3.14Å
111	D	95.2	Very high	95.7	Very high	47 Å²	47	26.9 Å²	26.9	25%	0.251	14%	0.139	S	C	.	.			trans	-72.9	163.3	176.4	21.5	49.5	0	0	0	112	E163 R533	D111-E163 CarbonylContact C-O 3.52Å; D111-E163 WeakPolarHBondContact CA-O 3.3Å; D111-E163 HydrophobicContact CB-CB 4.38Å; D111-R533 VanDerWaalsContact CG-NH2 3.28Å; D111-R533 VanDerWaalsContact N-NH2 3.11Å; D111-R533 IonicContact OD2-CZ 3.58Å; D111-R533 IonicContact OD2-NE 3.34Å; D111-R533 PolarHBondContact OD2-NE 3.38Å; D111-R533 IonicContact OD2-NH2 3.32Å; D111-R533 PolarHBondContact OD2-NH2 3.27Å
112	I	97.3	Very high	95.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	106.3	165	-52.9	-177.6	0	0	0	109.5	R59 L63 T97 Y101 A114 I162 E163 D165	R59-I112 HydrophobicContact CB-CD1 3.92Å; R59-I112 HydrophobicContact CG-CD1 3.97Å; L63-I112 HydrophobicContact CD1-CD1 4.18Å; L63-I112 HydrophobicContact CD1-CG2 4.37Å; L63-I112 HydrophobicContact CD2-CG2 4.2Å; L63-I112 HydrophobicContact CG-CD1 4.27Å; T97-I112 HydrophobicContact CG2-CG2 3.8Å; Y101-I112 HydrophobicContact CD1-CG2 3.97Å; Y101-I112 HydrophobicContact CD2-CG1 4.43Å; Y101-I112 HydrophobicContact CG-CG1 4.37Å; Y101-I112 HydrophobicContact CG-CG2 4.25Å; I112-A114 PolarHBondContact O-N 3.03Å; I112-I162 HydrophobicContact CD1-CG2 3.77Å; I112-I162 HydrophobicContact CG1-CG2 3.93Å; I112-E163 PolarHBondContact N-O 3.44Å; I112-D165 PolarHBondContact O-N 2.86Å; I112-D165 VanDerWaalsContact O-N 3.09Å
113	D	97.8	Very high	95.7	Very high	36 Å²	36	24.8 Å²	24.8	19%	0.193	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	111.6	163.2	-65.1	-77.6	0	0	0	110.2	T97 F98 G99 S100	T97-D113 CarbonylContact C-O 3.53Å; T97-D113 WeakPolarHBondContact CA-O 3.1Å; F98-D113 HydrophobicContact CD1-CB 3.95Å; F98-D113 HydrophobicContact CD2-CB 3.71Å; F98-D113 HydrophobicContact CE1-CB 3.92Å; F98-D113 HydrophobicContact CE2-CB 3.66Å; F98-D113 HydrophobicContact CG-CB 3.83Å; F98-D113 HydrophobicContact CZ-CB 3.75Å; F98-D113 PolarHBondContact N-O 2.75Å; G99-D113 VanDerWaalsContact CA-OD2 3.29Å; G99-D113 WeakPolarHBondContact CA-OD2 3.36Å; S100-D113 PolarHBondContact N-OD2 2.88Å; S100-D113 VanDerWaalsContact N-OD2 3.1Å
114	A	98.1	Very high	95.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	146.5	-175.4	0	0	0	0	0	113.1	I95 I112 I164 D165 L166 L167	I95-A114 HydrophobicContact CG2-CB 4.11Å; I112-A114 PolarHBondContact O-N 3.03Å; A114-I164 HydrophobicContact CB-CG2 4.06Å; A114-D165 PolarHBondContact N-O 3.36Å; A114-D165 VanDerWaalsContact O-O 3.11Å; A114-L166 HydrophobicContact CB-CD1 3.69Å; A114-L166 WeakPolarHBondContact O-CA 3.47Å; A114-L167 PolarHBondContact O-N 3.4Å
115	L	98.4	Very high	95.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	115.7	177.5	177.8	65.9	0	0	0	110.5	I95 F96 F98 V117 L167 A169 L182 L199 C202	I95-L115 WeakPolarHBondContact CA-O 3.34Å; F96-L115 HydrophobicContact CB-CB 4.49Å; F96-L115 PolarHBondContact N-O 3.46Å; F96-L115 PolarHBondContact O-N 3.06Å; F98-L115 HydrophobicContact CD1-CB 4.4Å; F98-L115 HydrophobicContact CE1-CB 4.43Å; L115-V117 HydrophobicContact CD2-CG2 3.83Å; L115-V117 HydrophobicContact CG-CG2 3.86Å; L115-L167 HydrophobicContact CD1-CB 3.66Å; L115-A169 HydrophobicContact CD1-CB 3.9Å; L115-A169 HydrophobicContact CD2-CB 4.43Å; L115-L182 HydrophobicContact CD2-CD1 4.26Å; L115-L199 HydrophobicContact CD2-CD2 3.98Å; L115-C202 HydrophobicContact CD2-CB 4.44Å; L115-C202 VanDerWaalsContact CD2-SG 3.55Å
116	C	98.3	Very high	95.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	119.8	164.8	178.8	0	0	0	0	109.7	F127 L166 L167 F168 A169	C116-F127 HydrophobicContact CB-CE2 4.18Å; C116-L166 HydrophobicContact CB-CD1 4.14Å; C116-L166 HydrophobicContact CB-CG 4.44Å; C116-L167 PolarHBondContact N-O 3.05Å; C116-F168 HydrophobicContact CB-CD2 4.28Å; C116-A169 PolarHBondContact O-N 3.06Å
117	V	98	Very high	96	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118	176.1	178.8	0	0	0	0	109.6	K94 F96 L115 A169 L171 I176 L180 L182	K94-V117 PolarHBondContact N-O 3.48Å; K94-V117 PolarHBondContact O-N 3.45Å; F96-V117 HydrophobicContact CD2-CB 4.11Å; F96-V117 HydrophobicContact CD2-CG2 3.52Å; F96-V117 HydrophobicContact CE2-CB 4.01Å; F96-V117 HydrophobicContact CE2-CG1 4.47Å; F96-V117 HydrophobicContact CE2-CG2 3.79Å; L115-V117 HydrophobicContact CD2-CG2 3.83Å; L115-V117 HydrophobicContact CG-CG2 3.86Å; V117-A169 WeakPolarHBondContact CA-O 3.41Å; V117-L171 HydrophobicContact CG1-CD1 3.57Å; V117-L171 HydrophobicContact CG1-CG 3.9Å; V117-I176 HydrophobicContact CG1-CD1 4.09Å; V117-I176 HydrophobicContact CG1-CG1 4.47Å; V117-I176 HydrophobicContact CG1-CG2 4.15Å; V117-L180 HydrophobicContact CG1-CD2 4.09Å; V117-L182 HydrophobicContact CG2-CD1 4.3Å; V117-L182 HydrophobicContact CG2-CD2 4.49Å
118	A	97.8	Very high	96.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	154.7	-171.9	0	0	0	0	0	112.7	I74 V122 F168 A169 R170 L171	I74-A118 HydrophobicContact CD1-CB 3.81Å; I74-A118 HydrophobicContact CG1-CB 4.4Å; A118-V122 HydrophobicContact CB-CB 3.95Å; A118-V122 HydrophobicContact CB-CG1 4Å; A118-F168 HydrophobicContact CB-CE2 3.54Å; A118-F168 HydrophobicContact CB-CZ 3.94Å; A118-A169 PolarHBondContact N-O 3.06Å; A118-A169 VanDerWaalsContact N-O 3.08Å; A118-R170 WeakPolarHBondContact O-CA 3.41Å; A118-L171 PolarHBondContact O-N 2.88Å
119	P	96.8	Very high	96.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.			trans	-74	168.4	179.7	34.3	-39.8	0	0	0	112.8	I74 V91 H121 V122 Q174 I176	I74-P119 HydrophobicContact CG2-CG 3.95Å; V91-P119 HydrophobicContact CG2-CB 4.49Å; V91-P119 HydrophobicContact CG2-CG 3.76Å; P119-H121 WeakPolarHBondContact CG-CE1 3.48Å; P119-H121 PolarHBondContact O-N 2.99Å; P119-V122 HydrophobicContact CG-CG2 3.95Å; P119-V122 PolarHBondContact O-N 2.59Å; P119-Q174 WeakPolarHBondContact CB-O 3.37Å; P119-I176 HydrophobicContact CB-CG1 4.25Å
120	R	95.9	Very high	97	Very high	131 Å²	131	29.8 Å²	29.8	49%	0.494	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-24	-167.8	70.8	-177.2	-175.4	167	-0	116.3	R170 L171 L173	R120-R170 VanDerWaalsContact O-CD 3.3Å; R120-R170 WeakPolarHBondContact O-CD 3.44Å; R120-R170 PolarHBondContact O-NH1 2.5Å; R120-L171 VanDerWaalsContact CA-O 3.27Å; R120-L171 WeakPolarHBondContact CA-O 3.17Å; R120-L171 WeakPolarHBondContact CB-O 3.34Å; R120-L171 PolarHBondContact N-O 2.94Å; R120-L171 VanDerWaalsContact N-O 3.17Å; R120-L173 WeakPolarHBondContact CB-O 3.24Å; R120-L173 WeakPolarHBondContact CG-O 3.44Å; R120-L173 PolarHBondContact N-O 3.34Å
121	H	95.8	Very high	97.2	Very high	29 Å²	29	29.3 Å²	29.3	13%	0.134	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-11.6	-178.8	57.3	-78.5	0	0	0	114	S78 K81 P119	S78-H121 PolarHBondContact OG-NE2 3.13Å; K81-H121 WeakPolarHBondContact CD-O 3.43Å; K81-H121 PolarHBondContact NZ-O 2.59Å; P119-H121 WeakPolarHBondContact CG-CE1 3.48Å; P119-H121 PolarHBondContact O-N 2.99Å
122	V	97.6	Very high	97.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-92.1	119.8	175.9	-178.5	0	0	0	0	109	W73 I74 I77 A118 P119 D126 F168 R170	W73-V122 HydrophobicContact CH2-CG1 3.25Å; W73-V122 HydrophobicContact CZ2-CG1 3.51Å; W73-V122 HydrophobicContact CZ3-CG1 3.95Å; I74-V122 HydrophobicContact CG1-CG2 4.32Å; I74-V122 HydrophobicContact CG2-CG2 4.15Å; I77-V122 HydrophobicContact CB-CG2 4.35Å; I77-V122 HydrophobicContact CG2-CB 4.46Å; I77-V122 HydrophobicContact CG2-CG1 4.49Å; I77-V122 HydrophobicContact CG2-CG2 3.88Å; A118-V122 HydrophobicContact CB-CB 3.95Å; A118-V122 HydrophobicContact CB-CG1 4Å; P119-V122 HydrophobicContact CG-CG2 3.95Å; P119-V122 PolarHBondContact O-N 2.59Å; V122-D126 HydrophobicContact CG1-CB 4.37Å; V122-F168 HydrophobicContact CG1-CE2 4.27Å; V122-F168 HydrophobicContact CG1-CZ 4.16Å; V122-R170 WeakPolarHBondContact O-CD 3.42Å; V122-R170 VanDerWaalsContact O-CG 3.32Å; V122-R170 WeakPolarHBondContact O-CG 3.3Å
123	E	96.6	Very high	97.3	Very high	82 Å²	82	32.8 Å²	32.8	38%	0.383	16%	0.157	S	C	.	.			trans	-99.6	166.7	-169.3	-70.7	169.5	-113	0	0	113.3	K81 T125 D126 F127	K81-E123 IonicContact NZ-OE1 3.79Å; K81-E123 PolarHBondContact NZ-OE1 3.03Å; E123-T125 VanDerWaalsContact C-N 3.29Å; E123-T125 WeakPolarHBondContact CB-OG1 3.42Å; E123-T125 PolarHBondContact O-N 3.4Å; E123-D126 PolarHBondContact N-OD2 3.18Å; E123-D126 WeakPolarHBondContact O-CB 3.44Å; E123-D126 PolarHBondContact O-N 2.81Å; E123-F127 PolarHBondContact O-N 3.45Å; E123-F127 VanDerWaalsContact O-N 3.15Å
124	R	96.4	Very high	97.3	Very high	19 Å²	19	32.3 Å²	32.3	7%	0.072	15%	0.153	C	C	.	.	H	α-helix	trans	-67.8	-32.8	177.8	-174.1	177.4	-57.9	-67.5	-2.2	111.7	F127 F128 F168 D192 C195	R124-F127 WeakPolarHBondContact O-CB 3.43Å; R124-F127 PolarHBondContact O-N 3.19Å; R124-F128 HydrophobicContact CG-CD2 3.79Å; R124-F128 HydrophobicContact CG-CE2 3.72Å; R124-F128 WeakPolarHBondContact O-CD2 3.46Å; R124-F128 PolarHBondContact O-N 3.08Å; R124-F168 HydrophobicContact CB-CD1 4.23Å; R124-F168 HydrophobicContact CB-CE1 4.24Å; R124-F168 HydrophobicContact CG-CD1 4.38Å; R124-F168 PolarHBondContact NH1-O 2.82Å; R124-F168 VanDerWaalsContact NH1-O 3.13Å; R124-D192 IonicContact CZ-OD2 3.7Å; R124-D192 IonicContact NE-OD2 2.7Å; R124-D192 IonicContact NH2-OD2 2.7Å; R124-D192 PolarHBondContact NH2-OD2 3.13Å; R124-C195 VanDerWaalsContact NH2-N 3.12Å; R124-C195 PolarHBondContact NH2-SG 3.03Å
125	T	96.8	Very high	97.2	Very high	60 Å²	60	32.3 Å²	32.3	37%	0.368	15%	0.153	S	C	.	.	H	α-helix	trans	-60.3	-47.8	169	39.5	0	0	0	0	111.4	E123 F127 F128 Q129	E123-T125 VanDerWaalsContact C-N 3.29Å; E123-T125 WeakPolarHBondContact CB-OG1 3.42Å; E123-T125 PolarHBondContact O-N 3.4Å; T125-F127 PolarHBondContact O-N 2.91Å; T125-F128 PolarHBondContact O-N 3.41Å; T125-Q129 VanDerWaalsContact O-CB 3.3Å; T125-Q129 WeakPolarHBondContact O-CB 3.29Å; T125-Q129 WeakPolarHBondContact O-CG 3.41Å; T125-Q129 PolarHBondContact O-N 3.49Å
126	D	97.7	Very high	97.1	Very high	23 Å²	23	38 Å²	38	12%	0.123	18%	0.178	C	C	.	.	H	α-helix	trans	-55.8	-42.4	176	-54.5	-24.2	0	0	0	110.4	W73 I77 K81 V122 E123 S130 F131	W73-D126 HydrophobicContact CZ2-CB 3.84Å; I77-D126 HydrophobicContact CD1-CB 4.13Å; K81-D126 IonicContact NZ-OD1 3.22Å; K81-D126 IonicContact NZ-OD2 2.68Å; K81-D126 PolarHBondContact NZ-OD2 2.97Å; V122-D126 HydrophobicContact CG1-CB 4.37Å; E123-D126 PolarHBondContact N-OD2 3.18Å; E123-D126 WeakPolarHBondContact O-CB 3.44Å; E123-D126 PolarHBondContact O-N 2.81Å; D126-S130 PolarHBondContact O-N 3.01Å; D126-S130 PolarHBondContact O-OG 3.44Å; D126-F131 PolarHBondContact O-N 3.37Å; D126-F131 VanDerWaalsContact O-N 3.1Å
127	F	98.1	Very high	96.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.211	C	C	.	.	I	π-helix	trans	-64.7	-47.3	177.5	177.5	-103.8	0	0	0	113.2	W73 C116 E123 R124 T125 Q129 F131 F132 I155 L166 F168	W73-F127 HydrophobicContact CH2-CB 3.88Å; W73-F127 HydrophobicContact CH2-CD2 4.13Å; W73-F127 HydrophobicContact CZ2-CB 4.27Å; W73-F127 HydrophobicContact CZ3-CD2 4.31Å; C116-F127 HydrophobicContact CB-CE2 4.18Å; E123-F127 PolarHBondContact O-N 3.45Å; E123-F127 VanDerWaalsContact O-N 3.15Å; R124-F127 WeakPolarHBondContact O-CB 3.43Å; R124-F127 PolarHBondContact O-N 3.19Å; T125-F127 PolarHBondContact O-N 2.91Å; F127-Q129 VanDerWaalsContact C-N 3.32Å; F127-Q129 PolarHBondContact O-N 3.34Å; F127-F131 HydrophobicContact CD2-CB 4.34Å; F127-F131 AromaticContact CD2-CD1 3.87Å; F127-F131 HydrophobicContact CD2-CD1 3.87Å; F127-F131 HydrophobicContact CD2-CG 4.42Å; F127-F131 AromaticContact CE2-CD1 3.76Å; F127-F131 HydrophobicContact CE2-CD1 3.76Å; F127-F131 HydrophobicContact CE2-CE1 4.25Å; F127-F131 WeakPolarHBondContact O-CB 3.46Å; F127-F132 PolarHBondContact O-N 3.1Å; F127-I155 HydrophobicContact CD1-CD1 3.89Å; F127-I155 HydrophobicContact CD1-CG1 4.34Å; F127-I155 HydrophobicContact CD2-CD1 4.47Å; F127-I155 HydrophobicContact CE1-CB 4.41Å; F127-I155 HydrophobicContact CE1-CD1 3.47Å; F127-I155 VanDerWaalsContact CE1-CD1 3.47Å; F127-I155 HydrophobicContact CE1-CG1 3.6Å; F127-I155 HydrophobicContact CE2-CD1 4.1Å; F127-I155 HydrophobicContact CG-CD1 4.38Å; F127-I155 HydrophobicContact CZ-CB 4.29Å; F127-I155 HydrophobicContact CZ-CD1 3.59Å; F127-I155 HydrophobicContact CZ-CG1 3.88Å; F127-L166 HydrophobicContact CE2-CD2 3.96Å; F127-L166 HydrophobicContact CE2-CG 4.22Å; F127-L166 HydrophobicContact CZ-CD2 4.17Å; F127-L166 HydrophobicContact CZ-CG 4.07Å; F127-F168 HydrophobicContact CB-CB 4.35Å; F127-F168 HydrophobicContact CB-CD1 4.24Å; F127-F168 HydrophobicContact CB-CD2 3.8Å; F127-F168 HydrophobicContact CB-CE2 4.09Å; F127-F168 HydrophobicContact CB-CG 3.88Å; F127-F168 HydrophobicContact CB-CZ 4.44Å; F127-F168 HydrophobicContact CD1-CB 3.5Å; F127-F168 VanDerWaalsContact CD1-CB 3.5Å; F127-F168 HydrophobicContact CD1-CD2 4.42Å; F127-F168 AromaticContact CD1-CG 4Å; F127-F168 HydrophobicContact CD1-CG 4Å; F127-F168 HydrophobicContact CD2-CB 3.92Å; F127-F168 AromaticContact CD2-CD2 3.58Å; F127-F168 HydrophobicContact CD2-CD2 3.58Å; F127-F168 HydrophobicContact CD2-CE2 4.38Å; F127-F168 AromaticContact CD2-CG 3.99Å; F127-F168 HydrophobicContact CD2-CG 3.99Å; F127-F168 HydrophobicContact CE1-CB 3.59Å; F127-F168 HydrophobicContact CE2-CB 4.01Å; F127-F168 HydrophobicContact CE2-CD2 4.22Å; F127-F168 HydrophobicContact CG-CB 3.66Å; F127-F168 HydrophobicContact CG-CD1 4.46Å; F127-F168 AromaticContact CG-CD2 3.68Å; F127-F168 HydrophobicContact CG-CD2 3.68Å; F127-F168 HydrophobicContact CG-CE2 4.43Å; F127-F168 AromaticContact CG-CG 3.69Å; F127-F168 HydrophobicContact CG-CG 3.69Å; F127-F168 HydrophobicContact CZ-CB 3.85Å
128	F	97.4	Very high	96.7	Very high	17 Å²	17	47.6 Å²	47.6	8%	0.075	22%	0.222	C	C	.	.	I	π-helix	trans	-78.5	-11.6	-179.9	-75.1	-63.1	0	0	0	114.8	R124 T125 F132 A146 E148 P153 I155	R124-F128 HydrophobicContact CG-CD2 3.79Å; R124-F128 HydrophobicContact CG-CE2 3.72Å; R124-F128 WeakPolarHBondContact O-CD2 3.46Å; R124-F128 PolarHBondContact O-N 3.08Å; T125-F128 PolarHBondContact O-N 3.41Å; F128-F132 VanDerWaalsContact O-CB 3.29Å; F128-F132 WeakPolarHBondContact O-CB 3.41Å; F128-A146 HydrophobicContact CD1-CB 3.87Å; F128-A146 HydrophobicContact CE1-CB 4.18Å; F128-E148 HydrophobicContact CD2-CB 3.98Å; F128-E148 VanDerWaalsContact CD2-CD 3.41Å; F128-E148 HydrophobicContact CD2-CG 3.78Å; F128-E148 WeakPolarHBondContact CD2-OE2 3.31Å; F128-E148 HydrophobicContact CE1-CB 4.39Å; F128-E148 HydrophobicContact CE2-CB 3.85Å; F128-E148 HydrophobicContact CE2-CG 3.65Å; F128-E148 HydrophobicContact CG-CB 4.33Å; F128-E148 HydrophobicContact CZ-CB 4.08Å; F128-E148 HydrophobicContact CZ-CG 4.34Å; F128-P153 HydrophobicContact CE2-CB 3.62Å; F128-P153 HydrophobicContact CZ-CB 3.51Å; F128-I155 HydrophobicContact CD1-CD1 3.99Å; F128-I155 HydrophobicContact CD1-CG1 3.69Å; F128-I155 HydrophobicContact CE1-CD1 4.24Å; F128-I155 HydrophobicContact CE1-CG1 3.52Å
129	Q	96.3	Very high	96.5	Very high	129 Å²	129	56.4 Å²	56.4	60%	0.603	26%	0.263	S	S	*	.	I	π-helix	trans	-109.4	-76.4	178.1	-62.8	174.4	-4	0	0	110.9	T125 F127 F132 E133	T125-Q129 VanDerWaalsContact O-CB 3.3Å; T125-Q129 WeakPolarHBondContact O-CB 3.29Å; T125-Q129 WeakPolarHBondContact O-CG 3.41Å; T125-Q129 PolarHBondContact O-N 3.49Å; F127-Q129 VanDerWaalsContact C-N 3.32Å; F127-Q129 PolarHBondContact O-N 3.34Å; Q129-F132 PolarHBondContact O-N 3.02Å; Q129-E133 PolarHBondContact O-N 2.73Å
130	S	97.4	Very high	96.5	Very high	42 Å²	42	60 Å²	60	29%	0.294	28%	0.28	S	S	.	.	I	π-helix	trans	-66.5	-40.5	-173.2	64.3	0	0	0	0	113.7	W73 I77 D126 K134	W73-S130 PolarHBondContact NE1-OG 2.93Å; I77-S130 WeakPolarHBondContact CD1-OG 3.37Å; D126-S130 PolarHBondContact O-N 3.01Å; D126-S130 PolarHBondContact O-OG 3.44Å; S130-K134 WeakPolarHBondContact O-CB 3.37Å; S130-K134 PolarHBondContact O-N 3.47Å
131	F	98.2	Very high	96.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.261	C	S	.	.	I	π-helix	trans	-73.3	-36.8	176.6	-166.3	-117.5	0	0	0	112	L66 L69 V70 W73 D126 F127 K134 L135 L166	L66-F131 HydrophobicContact CD1-CZ 4.42Å; L69-F131 HydrophobicContact CB-CE2 4.28Å; V70-F131 HydrophobicContact CG2-CE1 4.2Å; V70-F131 HydrophobicContact CG2-CE2 4Å; V70-F131 HydrophobicContact CG2-CZ 3.52Å; W73-F131 HydrophobicContact CB-CD2 3.63Å; W73-F131 HydrophobicContact CB-CE2 4Å; W73-F131 HydrophobicContact CD2-CB 3.75Å; W73-F131 AromaticContact CD2-CD2 3.51Å; W73-F131 HydrophobicContact CD2-CD2 3.51Å; W73-F131 HydrophobicContact CD2-CE2 4.38Å; W73-F131 AromaticContact CD2-CG 3.86Å; W73-F131 HydrophobicContact CD2-CG 3.86Å; W73-F131 HydrophobicContact CE3-CB 4.18Å; W73-F131 AromaticContact CE3-CD2 3.71Å; W73-F131 HydrophobicContact CE3-CD2 3.71Å; W73-F131 HydrophobicContact CE3-CE2 4.29Å; W73-F131 AromaticContact CE3-CG 3.96Å; W73-F131 HydrophobicContact CE3-CG 3.96Å; W73-F131 HydrophobicContact CG-CB 4.14Å; W73-F131 AromaticContact CG-CD2 3.44Å; W73-F131 HydrophobicContact CG-CD2 3.44Å; W73-F131 VanDerWaalsContact CG-CD2 3.44Å; W73-F131 HydrophobicContact CG-CE2 4.26Å; W73-F131 HydrophobicContact CG-CG 4.18Å; W73-F131 HydrophobicContact CH2-CB 4.36Å; W73-F131 HydrophobicContact CZ2-CB 3.96Å; W73-F131 HydrophobicContact CZ3-CB 4.47Å; W73-F131 HydrophobicContact CZ3-CG 4.43Å; D126-F131 PolarHBondContact O-N 3.37Å; D126-F131 VanDerWaalsContact O-N 3.1Å; F127-F131 HydrophobicContact CD2-CB 4.34Å; F127-F131 AromaticContact CD2-CD1 3.87Å; F127-F131 HydrophobicContact CD2-CD1 3.87Å; F127-F131 HydrophobicContact CD2-CG 4.42Å; F127-F131 AromaticContact CE2-CD1 3.76Å; F127-F131 HydrophobicContact CE2-CD1 3.76Å; F127-F131 HydrophobicContact CE2-CE1 4.25Å; F127-F131 WeakPolarHBondContact O-CB 3.46Å; F131-K134 HydrophobicContact CD2-CD 4.43Å; F131-K134 WeakPolarHBondContact O-CB 3.24Å; F131-K134 PolarHBondContact O-N 2.84Å; F131-L135 HydrophobicContact CD1-CD1 3.82Å; F131-L135 HydrophobicContact CD1-CG 4.09Å; F131-L135 HydrophobicContact CE1-CD1 3.65Å; F131-L135 HydrophobicContact CE1-CD2 3.84Å; F131-L135 HydrophobicContact CE1-CG 3.81Å; F131-L135 HydrophobicContact CE2-CD2 4.43Å; F131-L135 HydrophobicContact CZ-CD1 4.39Å; F131-L135 HydrophobicContact CZ-CD2 3.75Å; F131-L135 HydrophobicContact CZ-CG 4.07Å; F131-L135 WeakPolarHBondContact O-CG 3.11Å; F131-L135 PolarHBondContact O-N 3.42Å; F131-L166 HydrophobicContact CD1-CD2 4.42Å; F131-L166 HydrophobicContact CE1-CD2 3.6Å; F131-L166 HydrophobicContact CZ-CD2 4.48Å
132	F	97.1	Very high	96.4	Very high	38 Å²	38	59.5 Å²	59.5	17%	0.167	28%	0.282	C	S	.	.	H	α-helix	trans	-59.1	-49.5	174.1	-174.3	-89	0	0	0	111.7	F127 F128 Q129 K134 L135 K136 L144 A146 I155	F127-F132 PolarHBondContact O-N 3.1Å; F128-F132 VanDerWaalsContact O-CB 3.29Å; F128-F132 WeakPolarHBondContact O-CB 3.41Å; Q129-F132 PolarHBondContact O-N 3.02Å; F132-K134 VanDerWaalsContact C-N 3.29Å; F132-K134 PolarHBondContact O-N 3.48Å; F132-L135 PolarHBondContact O-N 3.18Å; F132-K136 WeakPolarHBondContact O-CB 3.26Å; F132-K136 PolarHBondContact O-N 3.49Å; F132-K136 VanDerWaalsContact O-N 3.07Å; F132-L144 HydrophobicContact CD2-CD1 4.11Å; F132-L144 HydrophobicContact CD2-CD2 4.37Å; F132-L144 HydrophobicContact CD2-CG 4.14Å; F132-L144 HydrophobicContact CE1-CD2 4.35Å; F132-L144 HydrophobicContact CE2-CD1 3.88Å; F132-L144 HydrophobicContact CE2-CD2 4.11Å; F132-L144 HydrophobicContact CE2-CG 3.58Å; F132-L144 HydrophobicContact CZ-CD2 4.1Å; F132-L144 HydrophobicContact CZ-CG 3.8Å; F132-A146 HydrophobicContact CD2-CB 3.96Å; F132-A146 HydrophobicContact CE2-CB 3.8Å; F132-I155 HydrophobicContact CB-CD1 4.31Å; F132-I155 HydrophobicContact CD2-CD1 4.18Å; F132-I155 HydrophobicContact CD2-CG1 4.44Å; F132-I155 HydrophobicContact CD2-CG2 4.14Å; F132-I155 HydrophobicContact CE2-CG2 4.47Å
133	E	97.3	Very high	96.2	Very high	83 Å²	83	63.5 Å²	63.5	39%	0.388	30%	0.303	S	S	.	.	H	α-helix	trans	-68.7	-24.7	176.1	-68.5	-64.6	125.4	0	0	113	Q129 K136 Q137	Q129-E133 PolarHBondContact O-N 2.73Å; E133-K136 VanDerWaalsContact OE1-CD 3.29Å; E133-K136 WeakPolarHBondContact OE1-CD 3.5Å; E133-K136 IonicContact OE1-NZ 2.8Å; E133-K136 PolarHBondContact OE1-NZ 2.87Å; E133-K136 WeakPolarHBondContact OE2-CD 3.36Å; E133-K136 IonicContact OE2-NZ 3.53Å; E133-K136 PolarHBondContact OE2-NZ 3.47Å; E133-Q137 WeakPolarHBondContact O-CG 3.21Å; E133-Q137 PolarHBondContact O-NE2 2.71Å
134	K	97.1	Very high	96.1	Very high	25 Å²	25	61.3 Å²	61.3	11%	0.109	29%	0.294	C	S	.	.	H	α-helix	trans	-68.7	-51.3	169.5	-166.7	-176.4	-174.3	74.2	0	111.3	W73 E76 S130 F131 F132 K136 Q137 H138	W73-K134 HydrophobicContact CB-CD 3.92Å; E76-K134 IonicContact OE1-NZ 3.6Å; E76-K134 PolarHBondContact OE1-NZ 2.94Å; E76-K134 IonicContact OE2-NZ 3.97Å; E76-K134 PolarHBondContact OE2-NZ 3.37Å; S130-K134 WeakPolarHBondContact O-CB 3.37Å; S130-K134 PolarHBondContact O-N 3.47Å; F131-K134 HydrophobicContact CD2-CD 4.43Å; F131-K134 WeakPolarHBondContact O-CB 3.24Å; F131-K134 PolarHBondContact O-N 2.84Å; F132-K134 VanDerWaalsContact C-N 3.29Å; F132-K134 PolarHBondContact O-N 3.48Å; K134-K136 PolarHBondContact O-N 2.85Å; K134-Q137 WeakPolarHBondContact O-CB 3.44Å; K134-Q137 PolarHBondContact O-N 2.94Å; K134-H138 PolarHBondContact O-CD2 3.21Å; K134-H138 VanDerWaalsContact O-CD2 3.29Å
135	L	97.1	Very high	95.8	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-54.6	-40.9	177.1	-69	171.3	0	0	0	111.8	L66 L69 F131 F132 Q137 H138 I141 L144 I155 F157	L66-L135 HydrophobicContact CD1-CD2 3.73Å; L69-L135 HydrophobicContact CD1-CD2 4.39Å; F131-L135 HydrophobicContact CD1-CD1 3.82Å; F131-L135 HydrophobicContact CD1-CG 4.09Å; F131-L135 HydrophobicContact CE1-CD1 3.65Å; F131-L135 HydrophobicContact CE1-CD2 3.84Å; F131-L135 HydrophobicContact CE1-CG 3.81Å; F131-L135 HydrophobicContact CE2-CD2 4.43Å; F131-L135 HydrophobicContact CZ-CD1 4.39Å; F131-L135 HydrophobicContact CZ-CD2 3.75Å; F131-L135 HydrophobicContact CZ-CG 4.07Å; F131-L135 WeakPolarHBondContact O-CG 3.11Å; F131-L135 PolarHBondContact O-N 3.42Å; F132-L135 PolarHBondContact O-N 3.18Å; L135-Q137 PolarHBondContact O-N 3.46Å; L135-H138 PolarHBondContact O-N 2.97Å; L135-I141 HydrophobicContact CB-CD1 4.06Å; L135-I141 HydrophobicContact CD2-CD1 3.59Å; L135-I141 HydrophobicContact CG-CD1 4.43Å; L135-L144 HydrophobicContact CB-CD1 4.31Å; L135-L144 HydrophobicContact CB-CD2 4.01Å; L135-L144 HydrophobicContact CD1-CD1 4.09Å; L135-I155 HydrophobicContact CD1-CG2 4.18Å; L135-F157 HydrophobicContact CD1-CE1 4.2Å; L135-F157 HydrophobicContact CD1-CZ 4.43Å; L135-F157 HydrophobicContact CD2-CE2 4.4Å; L135-F157 HydrophobicContact CD2-CZ 4.28Å
136	K	94.6	Very high	95.6	Very high	121 Å²	121	63.9 Å²	63.9	53%	0.526	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.4	178.2	-171.9	-176.5	172.4	-165.5	0	114.7	F132 E133 K134 L144	F132-K136 WeakPolarHBondContact O-CB 3.26Å; F132-K136 PolarHBondContact O-N 3.49Å; F132-K136 VanDerWaalsContact O-N 3.07Å; E133-K136 VanDerWaalsContact OE1-CD 3.29Å; E133-K136 WeakPolarHBondContact OE1-CD 3.5Å; E133-K136 IonicContact OE1-NZ 2.8Å; E133-K136 PolarHBondContact OE1-NZ 2.87Å; E133-K136 WeakPolarHBondContact OE2-CD 3.36Å; E133-K136 IonicContact OE2-NZ 3.53Å; E133-K136 PolarHBondContact OE2-NZ 3.47Å; K134-K136 PolarHBondContact O-N 2.85Å; K136-L144 HydrophobicContact CB-CD2 3.73Å; K136-L144 HydrophobicContact CG-CD2 4.44Å
137	Q	95.2	Very high	95.1	Very high	148 Å²	148	65.7 Å²	65.7	69%	0.692	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-9.4	177.2	-69.3	163.6	45.3	0	0	113.4	E133 K134 L135	E133-Q137 WeakPolarHBondContact O-CG 3.21Å; E133-Q137 PolarHBondContact O-NE2 2.71Å; K134-Q137 WeakPolarHBondContact O-CB 3.44Å; K134-Q137 PolarHBondContact O-N 2.94Å; L135-Q137 PolarHBondContact O-N 3.46Å
138	H	94.4	Very high	94.8	Very high	53 Å²	53	68.9 Å²	68.9	25%	0.245	33%	0.334	C	S	.	.			trans	-94.9	118.5	179.4	-66.4	-88.3	0	0	0	111.4	L69 K134 L135 E140 I141	L69-H138 VanDerWaalsContact CD2-CE1 3.44Å; L69-H138 WeakPolarHBondContact CD2-CE1 3.36Å; L69-H138 WeakPolarHBondContact CD2-NE2 3.43Å; K134-H138 PolarHBondContact O-CD2 3.21Å; K134-H138 VanDerWaalsContact O-CD2 3.29Å; L135-H138 PolarHBondContact O-N 2.97Å; H138-E140 PolarHBondContact O-N 2.87Å; H138-E140 VanDerWaalsContact O-N 3.08Å; H138-I141 HydrophobicContact CB-CB 4.45Å; H138-I141 HydrophobicContact CB-CD1 4.14Å; H138-I141 HydrophobicContact CB-CG1 4.16Å; H138-I141 WeakPolarHBondContact O-CB 3.4Å; H138-I141 PolarHBondContact O-N 3.38Å
139	E	93.6	Very high	94.1	Very high	184 Å²	184	76.1 Å²	76.1	86%	0.86	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-22	-179.9	-57.9	-173.1	162.2	0	0	114	I141	E139-I141 PolarHBondContact O-N 3.27Å
140	E	95.4	Very high	93.6	Very high	75 Å²	75	71.6 Å²	71.6	35%	0.35	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-15	177.2	-57	157.9	105.8	0	0	112.8	K65 H138 F159 D160	K65-E140 WeakPolarHBondContact CE-OE1 3.46Å; K65-E140 IonicContact NZ-OE1 2.77Å; K65-E140 PolarHBondContact NZ-OE1 3.34Å; H138-E140 PolarHBondContact O-N 2.87Å; H138-E140 VanDerWaalsContact O-N 3.08Å; E140-F159 HydrophobicContact CB-CD2 3.82Å; E140-F159 HydrophobicContact CB-CE2 3.6Å; E140-F159 HydrophobicContact CG-CE2 4.42Å; E140-D160 PolarHBondContact O-N 2.71Å
141	I	96.6	Very high	93.1	Very high	17 Å²	17	76.7 Å²	76.7	9%	0.087	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	126.8	-177.5	-67.2	-177	0	0	0	110.1	L135 H138 E139 L144 F157 K158 F159	L135-I141 HydrophobicContact CB-CD1 4.06Å; L135-I141 HydrophobicContact CD2-CD1 3.59Å; L135-I141 HydrophobicContact CG-CD1 4.43Å; H138-I141 HydrophobicContact CB-CB 4.45Å; H138-I141 HydrophobicContact CB-CD1 4.14Å; H138-I141 HydrophobicContact CB-CG1 4.16Å; H138-I141 WeakPolarHBondContact O-CB 3.4Å; H138-I141 PolarHBondContact O-N 3.38Å; E139-I141 PolarHBondContact O-N 3.27Å; I141-L144 HydrophobicContact CG2-CB 4.32Å; I141-L144 HydrophobicContact CG2-CD2 4.5Å; I141-F157 HydrophobicContact CD1-CD2 4.22Å; I141-F157 HydrophobicContact CD1-CE2 4.1Å; I141-F157 HydrophobicContact CG1-CD2 4.26Å; I141-F157 HydrophobicContact CG1-CE2 4.48Å; I141-F157 HydrophobicContact CG2-CB 4.09Å; I141-F157 HydrophobicContact CG2-CD2 3.87Å; I141-F157 HydrophobicContact CG2-CG 4.29Å; I141-K158 CarbonylContact C-O 3.49Å; I141-K158 WeakPolarHBondContact CA-O 3.42Å; I141-F159 HydrophobicContact CD1-CD1 4.13Å; I141-F159 HydrophobicContact CD1-CE1 4.18Å; I141-F159 HydrophobicContact CD1-CG 4.29Å; I141-F159 HydrophobicContact CD1-CZ 4.4Å; I141-F159 HydrophobicContact CG1-CB 4.26Å; I141-F159 HydrophobicContact CG1-CD1 4.19Å; I141-F159 HydrophobicContact CG1-CD2 3.8Å; I141-F159 HydrophobicContact CG1-CE1 4.47Å; I141-F159 HydrophobicContact CG1-CE2 4.13Å; I141-F159 HydrophobicContact CG1-CG 3.83Å; I141-F159 HydrophobicContact CG1-CZ 4.44Å
142	K	94.5	Very high	92.8	Very high	133 Å²	133	78.6 Å²	78.6	58%	0.578	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.7	164.8	-176.4	-61.5	-178.9	-177	175	0	110.3	L144 K158	K142-L144 PolarHBondContact O-N 2.87Å; K142-L144 VanDerWaalsContact O-N 3.08Å; K142-K158 HydrophobicContact CB-CB 4.45Å; K142-K158 PolarHBondContact N-O 3.48Å; K142-K158 PolarHBondContact O-N 3.4Å
143	D	92.7	Very high	92.7	Very high	84 Å²	84	76.8 Å²	76.8	45%	0.449	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.4	33.4	174.5	-49.6	-10.7	0	0	0	113.5	R145 K158	D143-R145 PolarHBondContact O-N 2.76Å; D143-K158 VanDerWaalsContact OD2-CD 3.29Å; D143-K158 WeakPolarHBondContact OD2-CD 3.42Å; D143-K158 WeakPolarHBondContact OD2-CE 3.13Å; D143-K158 IonicContact OD2-NZ 3.55Å; D143-K158 PolarHBondContact OD2-NZ 2.69Å
144	L	93.9	Very high	92.7	Very high	37 Å²	37	73.4 Å²	73.4	19%	0.194	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	111.5	-174	176.7	64.2	0	0	0	111.1	F132 L135 K136 I141 K142 I155 K156 F157	F132-L144 HydrophobicContact CD2-CD1 4.11Å; F132-L144 HydrophobicContact CD2-CD2 4.37Å; F132-L144 HydrophobicContact CD2-CG 4.14Å; F132-L144 HydrophobicContact CE1-CD2 4.35Å; F132-L144 HydrophobicContact CE2-CD1 3.88Å; F132-L144 HydrophobicContact CE2-CD2 4.11Å; F132-L144 HydrophobicContact CE2-CG 3.58Å; F132-L144 HydrophobicContact CZ-CD2 4.1Å; F132-L144 HydrophobicContact CZ-CG 3.8Å; L135-L144 HydrophobicContact CB-CD1 4.31Å; L135-L144 HydrophobicContact CB-CD2 4.01Å; L135-L144 HydrophobicContact CD1-CD1 4.09Å; K136-L144 HydrophobicContact CB-CD2 3.73Å; K136-L144 HydrophobicContact CG-CD2 4.44Å; I141-L144 HydrophobicContact CG2-CB 4.32Å; I141-L144 HydrophobicContact CG2-CD2 4.5Å; K142-L144 PolarHBondContact O-N 2.87Å; K142-L144 VanDerWaalsContact O-N 3.08Å; L144-I155 HydrophobicContact CD1-CG2 3.48Å; L144-I155 VanDerWaalsContact CD1-CG2 3.48Å; L144-K156 WeakPolarHBondContact CA-O 3.3Å; L144-F157 HydrophobicContact CB-CB 4.26Å; L144-F157 HydrophobicContact CD1-CB 3.83Å; L144-F157 HydrophobicContact CD1-CD1 4.23Å; L144-F157 HydrophobicContact CD1-CG 4.21Å
145	R	91.1	Very high	92.7	Very high	86 Å²	86	72.2 Å²	72.2	33%	0.325	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	136.8	-179.8	59.3	-176.5	170.5	160.6	-6.4	112	D143 K156 D534 T535	D143-R145 PolarHBondContact O-N 2.76Å; R145-K156 HydrophobicContact CG-CB 3.88Å; R145-K156 PolarHBondContact N-O 3.47Å; R145-K156 PolarHBondContact O-N 2.85Å; R145-D534 PolarHBondContact NH1-O 3.4Å; R145-D534 PolarHBondContact NH2-O 3.35Å; R145-T535 PolarHBondContact NH1-O 2.94Å
146	A	90.9	Very high	92.7	Very high	47 Å²	47	74.8 Å²	74.8	39%	0.388	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	142.3	175.6	0	0	0	0	0	110.9	F128 F132 I155	F128-A146 HydrophobicContact CD1-CB 3.87Å; F128-A146 HydrophobicContact CE1-CB 4.18Å; F132-A146 HydrophobicContact CD2-CB 3.96Å; F132-A146 HydrophobicContact CE2-CB 3.8Å; A146-I155 HydrophobicContact CB-CG1 4.37Å
147	V	88.6	Confident	92.8	Very high	61 Å²	61	69.4 Å²	69.4	37%	0.37	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	83.9	173.9	-165	0	0	0	0	108.5	A150 V154	V147-A150 HydrophobicContact CB-CB 4.44Å; V147-A150 HydrophobicContact CG1-CB 3.86Å; V147-V154 HydrophobicContact CB-CG1 4.06Å; V147-V154 HydrophobicContact CG2-CG1 4.43Å; V147-V154 PolarHBondContact N-O 3.45Å; V147-V154 PolarHBondContact O-N 2.86Å
148	E	91	Very high	92.9	Very high	66 Å²	66	64 Å²	64	31%	0.308	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-37.9	-176.7	-178.4	160.7	-164.5	0	0	113	F128 A150 P153 R194	F128-E148 HydrophobicContact CD2-CB 3.98Å; F128-E148 VanDerWaalsContact CD2-CD 3.41Å; F128-E148 HydrophobicContact CD2-CG 3.78Å; F128-E148 WeakPolarHBondContact CD2-OE2 3.31Å; F128-E148 HydrophobicContact CE1-CB 4.39Å; F128-E148 HydrophobicContact CE2-CB 3.85Å; F128-E148 HydrophobicContact CE2-CG 3.65Å; F128-E148 HydrophobicContact CG-CB 4.33Å; F128-E148 HydrophobicContact CZ-CB 4.08Å; F128-E148 HydrophobicContact CZ-CG 4.34Å; E148-A150 PolarHBondContact O-N 2.89Å; E148-A150 VanDerWaalsContact O-N 3.15Å; E148-P153 WeakPolarHBondContact O-CB 3.32Å; E148-P153 WeakPolarHBondContact O-CG 3.32Å; E148-R194 IonicContact OE1-NH1 2.69Å
149	D	84.1	Confident	93	Very high	170 Å²	170	61.5 Å²	61.5	91%	0.909	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	3.2	-178.4	-65.2	-59.2	0	0	0	114.6
150	A	85.8	Confident	93.1	Very high	34 Å²	34	55.8 Å²	55.8	28%	0.281	28%	0.284	S	S	.	.	S	Bend	trans	-64.8	153.5	174.9	0	0	0	0	0	112.2	V147 E148 V152	V147-A150 HydrophobicContact CB-CB 4.44Å; V147-A150 HydrophobicContact CG1-CB 3.86Å; E148-A150 PolarHBondContact O-N 2.89Å; E148-A150 VanDerWaalsContact O-N 3.15Å; A150-V152 VanDerWaalsContact CB-O 3.29Å; A150-V152 WeakPolarHBondContact CB-O 3.44Å; A150-V152 CarbonylContact O-C 3.59Å; A150-V152 PolarHBondContact O-N 3.28Å; A150-V152 VanDerWaalsContact O-N 3.07Å
151	F	85.9	Confident	93.1	Very high	148 Å²	148	55.5 Å²	55.5	65%	0.649	30%	0.302	S	S	*	.	S	Bend	trans	-53.6	-32.7	176	178.5	-95.9	0	0	0	112.6	R197	F151-R197 HydrophobicContact CE1-CG 4.24Å; F151-R197 HydrophobicContact CZ-CG 4.47Å; F151-R197 WeakPolarHBondContact O-CD 3.18Å; F151-R197 PolarHBondContact O-NH1 3.16Å
152	V	92.4	Very high	93	Very high	40 Å²	40	55.4 Å²	55.4	24%	0.242	30%	0.301	C	S	.	.	S	Bend	trans	-124.4	115	161.4	-159.9	0	0	0	0	107.2	A150 L167 R197	A150-V152 VanDerWaalsContact CB-O 3.29Å; A150-V152 WeakPolarHBondContact CB-O 3.44Å; A150-V152 CarbonylContact O-C 3.59Å; A150-V152 PolarHBondContact O-N 3.28Å; A150-V152 VanDerWaalsContact O-N 3.07Å; V152-L167 HydrophobicContact CG1-CD1 3.97Å; V152-L167 HydrophobicContact CG1-CD2 4.05Å; V152-R197 HydrophobicContact CG1-CB 4.2Å; V152-R197 HydrophobicContact CG2-CB 3.99Å
153	P	94.6	Very high	93.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.282	C	S	.	.			trans	-64.3	135.3	-178.2	-22.8	33.1	0	0	0	112.5	F128 E148 R194	F128-P153 HydrophobicContact CE2-CB 3.62Å; F128-P153 HydrophobicContact CZ-CB 3.51Å; E148-P153 WeakPolarHBondContact O-CB 3.32Å; E148-P153 WeakPolarHBondContact O-CG 3.32Å; P153-R194 HydrophobicContact CG-CB 4.15Å; P153-R194 HydrophobicContact CG-CG 4.31Å
154	V	96.6	Very high	93.4	Very high	12 Å²	12	47 Å²	47	7%	0.073	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	145.2	-171.5	62.2	0	0	0	0	112.8	V147 K156 D165 L167	V147-V154 HydrophobicContact CB-CG1 4.06Å; V147-V154 HydrophobicContact CG2-CG1 4.43Å; V147-V154 PolarHBondContact N-O 3.45Å; V147-V154 PolarHBondContact O-N 2.86Å; V154-K156 HydrophobicContact CG1-CG 4.3Å; V154-K156 HydrophobicContact CG2-CG 3.99Å; V154-D165 HydrophobicContact CG2-CB 4.26Å; V154-L167 HydrophobicContact CB-CD2 3.72Å; V154-L167 HydrophobicContact CG2-CD2 3.85Å
155	I	97.5	Very high	93.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.6	160.1	-60.8	174.6	0	0	0	107.5	F127 F128 F132 L135 L144 A146 F157 L166	F127-I155 HydrophobicContact CD1-CD1 3.89Å; F127-I155 HydrophobicContact CD1-CG1 4.34Å; F127-I155 HydrophobicContact CD2-CD1 4.47Å; F127-I155 HydrophobicContact CE1-CB 4.41Å; F127-I155 HydrophobicContact CE1-CD1 3.47Å; F127-I155 VanDerWaalsContact CE1-CD1 3.47Å; F127-I155 HydrophobicContact CE1-CG1 3.6Å; F127-I155 HydrophobicContact CE2-CD1 4.1Å; F127-I155 HydrophobicContact CG-CD1 4.38Å; F127-I155 HydrophobicContact CZ-CB 4.29Å; F127-I155 HydrophobicContact CZ-CD1 3.59Å; F127-I155 HydrophobicContact CZ-CG1 3.88Å; F128-I155 HydrophobicContact CD1-CD1 3.99Å; F128-I155 HydrophobicContact CD1-CG1 3.69Å; F128-I155 HydrophobicContact CE1-CD1 4.24Å; F128-I155 HydrophobicContact CE1-CG1 3.52Å; F132-I155 HydrophobicContact CB-CD1 4.31Å; F132-I155 HydrophobicContact CD2-CD1 4.18Å; F132-I155 HydrophobicContact CD2-CG1 4.44Å; F132-I155 HydrophobicContact CD2-CG2 4.14Å; F132-I155 HydrophobicContact CE2-CG2 4.47Å; L135-I155 HydrophobicContact CD1-CG2 4.18Å; L144-I155 HydrophobicContact CD1-CG2 3.48Å; L144-I155 VanDerWaalsContact CD1-CG2 3.48Å; A146-I155 HydrophobicContact CB-CG1 4.37Å; I155-F157 HydrophobicContact CG2-CD1 4.07Å; I155-F157 HydrophobicContact CG2-CE1 4.47Å; I155-L166 PolarHBondContact N-O 3.16Å; I155-L166 PolarHBondContact O-N 2.8Å
156	K	96.5	Very high	93.9	Very high	55 Å²	55	42.8 Å²	42.8	24%	0.239	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	137.8	178.9	-57.5	178	154.4	-83	0	109.6	L144 R145 V154 I164 D165	L144-K156 WeakPolarHBondContact CA-O 3.3Å; R145-K156 HydrophobicContact CG-CB 3.88Å; R145-K156 PolarHBondContact N-O 3.47Å; R145-K156 PolarHBondContact O-N 2.85Å; V154-K156 HydrophobicContact CG1-CG 4.3Å; V154-K156 HydrophobicContact CG2-CG 3.99Å; K156-I164 WeakPolarHBondContact CA-O 3.46Å; K156-D165 WeakPolarHBondContact CE-OD2 3.5Å; K156-D165 WeakPolarHBondContact CG-OD1 3.27Å; K156-D165 IonicContact NZ-OD1 2.66Å; K156-D165 PolarHBondContact NZ-OD1 3.3Å; K156-D165 IonicContact NZ-OD2 2.65Å; K156-D165 PolarHBondContact NZ-OD2 3.32Å
157	F	97	Very high	94.3	Very high	7 Å²	7	41.4 Å²	41.4	3%	0.031	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	163.3	179.3	55.9	-75.3	0	0	0	111.8	L66 L135 I141 L144 I155 F159 E163 I164 L166	L66-F157 HydrophobicContact CD1-CE2 4.04Å; L66-F157 HydrophobicContact CD1-CZ 3.7Å; L66-F157 HydrophobicContact CD2-CE2 4.46Å; L66-F157 HydrophobicContact CD2-CZ 3.83Å; L66-F157 HydrophobicContact CG-CZ 4.44Å; L135-F157 HydrophobicContact CD1-CE1 4.2Å; L135-F157 HydrophobicContact CD1-CZ 4.43Å; L135-F157 HydrophobicContact CD2-CE2 4.4Å; L135-F157 HydrophobicContact CD2-CZ 4.28Å; I141-F157 HydrophobicContact CD1-CD2 4.22Å; I141-F157 HydrophobicContact CD1-CE2 4.1Å; I141-F157 HydrophobicContact CG1-CD2 4.26Å; I141-F157 HydrophobicContact CG1-CE2 4.48Å; I141-F157 HydrophobicContact CG2-CB 4.09Å; I141-F157 HydrophobicContact CG2-CD2 3.87Å; I141-F157 HydrophobicContact CG2-CG 4.29Å; L144-F157 HydrophobicContact CB-CB 4.26Å; L144-F157 HydrophobicContact CD1-CB 3.83Å; L144-F157 HydrophobicContact CD1-CD1 4.23Å; L144-F157 HydrophobicContact CD1-CG 4.21Å; I155-F157 HydrophobicContact CG2-CD1 4.07Å; I155-F157 HydrophobicContact CG2-CE1 4.47Å; F157-F159 HydrophobicContact CD2-CB 3.99Å; F157-F159 HydrophobicContact CE2-CB 3.88Å; F157-F159 AromaticContact CE2-CD1 3.99Å; F157-F159 HydrophobicContact CE2-CD1 3.99Å; F157-F159 HydrophobicContact CE2-CG 4.33Å; F157-E163 WeakPolarHBondContact O-CA 3.45Å; F157-I164 HydrophobicContact CE1-CB 4.2Å; F157-I164 HydrophobicContact CE1-CG2 4.11Å; F157-I164 HydrophobicContact CE2-CB 4.28Å; F157-I164 HydrophobicContact CE2-CD1 4.04Å; F157-I164 HydrophobicContact CZ-CB 4.04Å; F157-I164 HydrophobicContact CZ-CD1 4.25Å; F157-I164 HydrophobicContact CZ-CG2 3.97Å; F157-I164 PolarHBondContact N-O 3.17Å; F157-I164 PolarHBondContact O-N 2.9Å; F157-L166 HydrophobicContact CE1-CB 3.92Å; F157-L166 HydrophobicContact CE1-CD2 4.26Å; F157-L166 HydrophobicContact CZ-CD2 4.47Å
158	K	97.4	Very high	94.8	Very high	34 Å²	34	38.5 Å²	38.5	15%	0.148	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	113.6	167.4	-70.5	-177.8	-171.1	115	0	108.9	I141 K142 D143 I162 E163 D536	I141-K158 CarbonylContact C-O 3.49Å; I141-K158 WeakPolarHBondContact CA-O 3.42Å; K142-K158 HydrophobicContact CB-CB 4.45Å; K142-K158 PolarHBondContact N-O 3.48Å; K142-K158 PolarHBondContact O-N 3.4Å; D143-K158 VanDerWaalsContact OD2-CD 3.29Å; D143-K158 WeakPolarHBondContact OD2-CD 3.42Å; D143-K158 WeakPolarHBondContact OD2-CE 3.13Å; D143-K158 IonicContact OD2-NZ 3.55Å; D143-K158 PolarHBondContact OD2-NZ 2.69Å; K158-I162 CarbonylContact C-O 3.46Å; K158-I162 VanDerWaalsContact CA-O 3.32Å; K158-I162 WeakPolarHBondContact CA-O 3.38Å; K158-E163 HydrophobicContact CD-CG 4Å; K158-E163 WeakPolarHBondContact CE-OE1 3.31Å; K158-E163 HydrophobicContact CG-CG 3.49Å; K158-E163 VanDerWaalsContact CG-CG 3.49Å; K158-D536 IonicContact NZ-OD1 3.11Å; K158-D536 PolarHBondContact NZ-OD1 3.02Å; K158-D536 IonicContact NZ-OD2 2.82Å; K158-D536 PolarHBondContact NZ-OD2 3.35Å
159	F	97.4	Very high	95.1	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	117.1	173.4	-163.7	168	0	0	0	108.2	V62 K65 L66 L69 E140 I141 F157 G161 I162 I164	V62-F159 HydrophobicContact CG1-CB 3.82Å; V62-F159 HydrophobicContact CG1-CD1 3.8Å; V62-F159 HydrophobicContact CG1-CD2 4.43Å; V62-F159 HydrophobicContact CG1-CG 3.75Å; K65-F159 HydrophobicContact CB-CE1 3.95Å; K65-F159 HydrophobicContact CB-CZ 3.63Å; K65-F159 HydrophobicContact CD-CE2 3.85Å; K65-F159 HydrophobicContact CD-CZ 3.79Å; K65-F159 HydrophobicContact CG-CZ 4.36Å; L66-F159 HydrophobicContact CB-CD1 4.18Å; L66-F159 HydrophobicContact CB-CE1 3.93Å; L66-F159 HydrophobicContact CD1-CD1 4.13Å; L66-F159 HydrophobicContact CD1-CE1 4.06Å; L69-F159 HydrophobicContact CD1-CE1 4.21Å; L69-F159 HydrophobicContact CD1-CZ 4.33Å; E140-F159 HydrophobicContact CB-CD2 3.82Å; E140-F159 HydrophobicContact CB-CE2 3.6Å; E140-F159 HydrophobicContact CG-CE2 4.42Å; I141-F159 HydrophobicContact CD1-CD1 4.13Å; I141-F159 HydrophobicContact CD1-CE1 4.18Å; I141-F159 HydrophobicContact CD1-CG 4.29Å; I141-F159 HydrophobicContact CD1-CZ 4.4Å; I141-F159 HydrophobicContact CG1-CB 4.26Å; I141-F159 HydrophobicContact CG1-CD1 4.19Å; I141-F159 HydrophobicContact CG1-CD2 3.8Å; I141-F159 HydrophobicContact CG1-CE1 4.47Å; I141-F159 HydrophobicContact CG1-CE2 4.13Å; I141-F159 HydrophobicContact CG1-CG 3.83Å; I141-F159 HydrophobicContact CG1-CZ 4.44Å; F157-F159 HydrophobicContact CD2-CB 3.99Å; F157-F159 HydrophobicContact CE2-CB 3.88Å; F157-F159 AromaticContact CE2-CD1 3.99Å; F157-F159 HydrophobicContact CE2-CD1 3.99Å; F157-F159 HydrophobicContact CE2-CG 4.33Å; F159-G161 PolarHBondContact O-N 2.68Å; F159-I162 PolarHBondContact N-O 2.96Å; F159-I162 PolarHBondContact O-N 3Å; F159-I164 HydrophobicContact CB-CD1 3.86Å; F159-I164 HydrophobicContact CD1-CD1 4.33Å
160	D	95.5	Very high	95.7	Very high	65 Å²	65	32 Å²	32	35%	0.348	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	37.1	176.2	-141.3	-20.6	0	0	0	112.3	H58 V62 K65 E140 I162	H58-D160 VanDerWaalsContact CE1-CG 3.47Å; H58-D160 IonicContact CE1-OD1 2.83Å; H58-D160 IonicContact CE1-OD2 3.2Å; H58-D160 PolarHBondContact NE2-O 2.89Å; H58-D160 IonicContact NE2-OD1 2.93Å; V62-D160 HydrophobicContact CG2-CB 3.65Å; K65-D160 IonicContact NZ-OD2 3.77Å; K65-D160 PolarHBondContact NZ-OD2 3.06Å; E140-D160 PolarHBondContact O-N 2.71Å; D160-I162 VanDerWaalsContact C-N 3.34Å; D160-I162 PolarHBondContact O-N 3.43Å
161	G	94.3	Very high	96.1	Very high	69 Å²	69	30.5 Å²	30.5	71%	0.711	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.9	-10.1	-176	0	0	0	0	0	116.1	F159	F159-G161 PolarHBondContact O-N 2.68Å
162	I	95.9	Very high	96.5	Very high	15 Å²	15	26.6 Å²	26.6	8%	0.077	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	125.7	-179.2	-67.6	157	0	0	0	110.8	H58 R59 V62 I112 K158 F159 D160 I164	H58-I162 WeakPolarHBondContact CD2-CD1 3.41Å; R59-I162 HydrophobicContact CB-CD1 4.25Å; R59-I162 HydrophobicContact CG-CD1 3.63Å; R59-I162 HydrophobicContact CG-CG1 4.3Å; V62-I162 HydrophobicContact CB-CD1 4.26Å; V62-I162 HydrophobicContact CG2-CD1 3.95Å; I112-I162 HydrophobicContact CD1-CG2 3.77Å; I112-I162 HydrophobicContact CG1-CG2 3.93Å; K158-I162 CarbonylContact C-O 3.46Å; K158-I162 VanDerWaalsContact CA-O 3.32Å; K158-I162 WeakPolarHBondContact CA-O 3.38Å; F159-I162 PolarHBondContact N-O 2.96Å; F159-I162 PolarHBondContact O-N 3Å; D160-I162 VanDerWaalsContact C-N 3.34Å; D160-I162 PolarHBondContact O-N 3.43Å; I162-I164 HydrophobicContact CG2-CG1 4.28Å
163	E	97.3	Very high	96.6	Very high	38 Å²	38	27.8 Å²	27.8	18%	0.178	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	131.2	171	-75.7	179.4	-125.7	0	0	112	D111 I112 F157 K158 R533	D111-E163 CarbonylContact C-O 3.52Å; D111-E163 WeakPolarHBondContact CA-O 3.3Å; D111-E163 HydrophobicContact CB-CB 4.38Å; I112-E163 PolarHBondContact N-O 3.44Å; F157-E163 WeakPolarHBondContact O-CA 3.45Å; K158-E163 HydrophobicContact CD-CG 4Å; K158-E163 WeakPolarHBondContact CE-OE1 3.31Å; K158-E163 HydrophobicContact CG-CG 3.49Å; K158-E163 VanDerWaalsContact CG-CG 3.49Å; E163-R533 IonicContact OE1-CZ 3.31Å; E163-R533 VanDerWaalsContact OE1-CZ 3.32Å; E163-R533 IonicContact OE1-NE 3.08Å; E163-R533 IonicContact OE1-NH1 2.76Å; E163-R533 PolarHBondContact OE1-NH1 3.2Å; E163-R533 VanDerWaalsContact OE2-CD 3.3Å; E163-R533 WeakPolarHBondContact OE2-CD 3.37Å; E163-R533 IonicContact OE2-CZ 3.89Å; E163-R533 IonicContact OE2-NE 2.74Å; E163-R533 PolarHBondContact OE2-NE 2.88Å; E163-R533 IonicContact OE2-NH1 2.74Å; E163-R533 PolarHBondContact OE2-NH1 2.98Å; E163-R533 IonicContact OE2-NH2 3.98Å
164	I	97.9	Very high	96.5	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	126.6	-179.7	-56.2	-177.3	0	0	0	109.5	V62 L66 A114 K156 F157 F159 I162 L166	V62-I164 HydrophobicContact CG1-CD1 3.82Å; L66-I164 HydrophobicContact CD2-CD1 3.94Å; L66-I164 HydrophobicContact CD2-CG2 4.13Å; A114-I164 HydrophobicContact CB-CG2 4.06Å; K156-I164 WeakPolarHBondContact CA-O 3.46Å; F157-I164 HydrophobicContact CE1-CB 4.2Å; F157-I164 HydrophobicContact CE1-CG2 4.11Å; F157-I164 HydrophobicContact CE2-CB 4.28Å; F157-I164 HydrophobicContact CE2-CD1 4.04Å; F157-I164 HydrophobicContact CZ-CB 4.04Å; F157-I164 HydrophobicContact CZ-CD1 4.25Å; F157-I164 HydrophobicContact CZ-CG2 3.97Å; F157-I164 PolarHBondContact N-O 3.17Å; F157-I164 PolarHBondContact O-N 2.9Å; F159-I164 HydrophobicContact CB-CD1 3.86Å; F159-I164 HydrophobicContact CD1-CD1 4.33Å; I162-I164 HydrophobicContact CG2-CG1 4.28Å; I164-L166 HydrophobicContact CG2-CB 4.35Å
165	D	97.9	Very high	96.5	Very high	36 Å²	36	36.2 Å²	36.2	19%	0.193	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	98.8	169.9	-95.5	31.7	0	0	0	108.1	I112 A114 V154 K156	I112-D165 PolarHBondContact O-N 2.86Å; I112-D165 VanDerWaalsContact O-N 3.09Å; A114-D165 PolarHBondContact N-O 3.36Å; A114-D165 VanDerWaalsContact O-O 3.11Å; V154-D165 HydrophobicContact CG2-CB 4.26Å; K156-D165 WeakPolarHBondContact CE-OD2 3.5Å; K156-D165 WeakPolarHBondContact CG-OD1 3.27Å; K156-D165 IonicContact NZ-OD1 2.66Å; K156-D165 PolarHBondContact NZ-OD1 3.3Å; K156-D165 IonicContact NZ-OD2 2.65Å; K156-D165 PolarHBondContact NZ-OD2 3.32Å
166	L	98.4	Very high	96.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	109.3	-175.9	-171.5	65.3	0	0	0	111.8	A114 C116 F127 F131 I155 F157 I164	A114-L166 HydrophobicContact CB-CD1 3.69Å; A114-L166 WeakPolarHBondContact O-CA 3.47Å; C116-L166 HydrophobicContact CB-CD1 4.14Å; C116-L166 HydrophobicContact CB-CG 4.44Å; F127-L166 HydrophobicContact CE2-CD2 3.96Å; F127-L166 HydrophobicContact CE2-CG 4.22Å; F127-L166 HydrophobicContact CZ-CD2 4.17Å; F127-L166 HydrophobicContact CZ-CG 4.07Å; F131-L166 HydrophobicContact CD1-CD2 4.42Å; F131-L166 HydrophobicContact CE1-CD2 3.6Å; F131-L166 HydrophobicContact CZ-CD2 4.48Å; I155-L166 PolarHBondContact N-O 3.16Å; I155-L166 PolarHBondContact O-N 2.8Å; F157-L166 HydrophobicContact CE1-CB 3.92Å; F157-L166 HydrophobicContact CE1-CD2 4.26Å; F157-L166 HydrophobicContact CZ-CD2 4.47Å; I164-L166 HydrophobicContact CG2-CB 4.35Å
167	L	98.3	Very high	96.2	Very high	17 Å²	17	36.4 Å²	36.4	9%	0.089	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	161.2	170.7	-55.6	-172.2	0	0	0	111.4	F98 A114 L115 C116 V152 V154	F98-L167 HydrophobicContact CE1-CD1 3.73Å; F98-L167 HydrophobicContact CE1-CG 4.11Å; F98-L167 HydrophobicContact CE2-CD1 4.4Å; F98-L167 HydrophobicContact CZ-CD1 3.41Å; F98-L167 VanDerWaalsContact CZ-CD1 3.41Å; F98-L167 HydrophobicContact CZ-CG 3.99Å; A114-L167 PolarHBondContact O-N 3.4Å; L115-L167 HydrophobicContact CD1-CB 3.66Å; C116-L167 PolarHBondContact N-O 3.05Å; V152-L167 HydrophobicContact CG1-CD1 3.97Å; V152-L167 HydrophobicContact CG1-CD2 4.05Å; V154-L167 HydrophobicContact CB-CD2 3.72Å; V154-L167 HydrophobicContact CG2-CD2 3.85Å
168	F	98.3	Very high	95.8	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.9	173.6	179.1	-100.9	0	0	0	113.1	W73 C116 A118 V122 R124 F127 R170 S198	W73-F168 HydrophobicContact CH2-CD2 4.39Å; W73-F168 AromaticContact CH2-CE2 3.79Å; W73-F168 HydrophobicContact CH2-CE2 3.79Å; W73-F168 HydrophobicContact CZ3-CE2 4.15Å; C116-F168 HydrophobicContact CB-CD2 4.28Å; A118-F168 HydrophobicContact CB-CE2 3.54Å; A118-F168 HydrophobicContact CB-CZ 3.94Å; V122-F168 HydrophobicContact CG1-CE2 4.27Å; V122-F168 HydrophobicContact CG1-CZ 4.16Å; R124-F168 HydrophobicContact CB-CD1 4.23Å; R124-F168 HydrophobicContact CB-CE1 4.24Å; R124-F168 HydrophobicContact CG-CD1 4.38Å; R124-F168 PolarHBondContact NH1-O 2.82Å; R124-F168 VanDerWaalsContact NH1-O 3.13Å; F127-F168 HydrophobicContact CB-CB 4.35Å; F127-F168 HydrophobicContact CB-CD1 4.24Å; F127-F168 HydrophobicContact CB-CD2 3.8Å; F127-F168 HydrophobicContact CB-CE2 4.09Å; F127-F168 HydrophobicContact CB-CG 3.88Å; F127-F168 HydrophobicContact CB-CZ 4.44Å; F127-F168 HydrophobicContact CD1-CB 3.5Å; F127-F168 VanDerWaalsContact CD1-CB 3.5Å; F127-F168 HydrophobicContact CD1-CD2 4.42Å; F127-F168 AromaticContact CD1-CG 4Å; F127-F168 HydrophobicContact CD1-CG 4Å; F127-F168 HydrophobicContact CD2-CB 3.92Å; F127-F168 AromaticContact CD2-CD2 3.58Å; F127-F168 HydrophobicContact CD2-CD2 3.58Å; F127-F168 HydrophobicContact CD2-CE2 4.38Å; F127-F168 AromaticContact CD2-CG 3.99Å; F127-F168 HydrophobicContact CD2-CG 3.99Å; F127-F168 HydrophobicContact CE1-CB 3.59Å; F127-F168 HydrophobicContact CE2-CB 4.01Å; F127-F168 HydrophobicContact CE2-CD2 4.22Å; F127-F168 HydrophobicContact CG-CB 3.66Å; F127-F168 HydrophobicContact CG-CD1 4.46Å; F127-F168 AromaticContact CG-CD2 3.68Å; F127-F168 HydrophobicContact CG-CD2 3.68Å; F127-F168 HydrophobicContact CG-CE2 4.43Å; F127-F168 AromaticContact CG-CG 3.69Å; F127-F168 HydrophobicContact CG-CG 3.69Å; F127-F168 HydrophobicContact CZ-CB 3.85Å; F168-R170 HydrophobicContact CE1-CB 3.97Å; F168-R170 HydrophobicContact CZ-CB 4.14Å; F168-S198 WeakPolarHBondContact O-CB 3.44Å; F168-S198 PolarHBondContact O-OG 3.34Å
169	A	97.7	Very high	95.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	123.6	168.4	0	0	0	0	0	112	L115 C116 V117 A118 C195 L199	L115-A169 HydrophobicContact CD1-CB 3.9Å; L115-A169 HydrophobicContact CD2-CB 4.43Å; C116-A169 PolarHBondContact O-N 3.06Å; V117-A169 WeakPolarHBondContact CA-O 3.41Å; A118-A169 PolarHBondContact N-O 3.06Å; A118-A169 VanDerWaalsContact N-O 3.08Å; A169-C195 HydrophobicContact CB-CB 4.49Å; A169-L199 HydrophobicContact CB-CD1 4.26Å; A169-L199 HydrophobicContact CB-CD2 4Å; A169-L199 HydrophobicContact CB-CG 3.74Å
170	R	96.3	Very high	95.3	Very high	99 Å²	99	47.1 Å²	47.1	37%	0.374	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	126.3	168.7	-176.1	176.7	85.7	165.6	-16.1	109.8	A118 R120 V122 F168 L191 C195	A118-R170 WeakPolarHBondContact O-CA 3.41Å; R120-R170 VanDerWaalsContact O-CD 3.3Å; R120-R170 WeakPolarHBondContact O-CD 3.44Å; R120-R170 PolarHBondContact O-NH1 2.5Å; V122-R170 WeakPolarHBondContact O-CD 3.42Å; V122-R170 VanDerWaalsContact O-CG 3.32Å; V122-R170 WeakPolarHBondContact O-CG 3.3Å; F168-R170 HydrophobicContact CE1-CB 3.97Å; F168-R170 HydrophobicContact CZ-CB 4.14Å; R170-L191 WeakPolarHBondContact O-CD2 3.48Å; R170-C195 PolarHBondContact N-SG 3.21Å; R170-C195 VanDerWaalsContact N-SG 3.37Å
171	L	95.8	Very high	95.1	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	27%	0.273	C	S	.	.			trans	-98.4	156.4	174.7	-64.4	-175.2	0	0	0	112.1	V117 A118 R120 L173 I176 L180 L182 I187 L191 L199	V117-L171 HydrophobicContact CG1-CD1 3.57Å; V117-L171 HydrophobicContact CG1-CG 3.9Å; A118-L171 PolarHBondContact O-N 2.88Å; R120-L171 VanDerWaalsContact CA-O 3.27Å; R120-L171 WeakPolarHBondContact CA-O 3.17Å; R120-L171 WeakPolarHBondContact CB-O 3.34Å; R120-L171 PolarHBondContact N-O 2.94Å; R120-L171 VanDerWaalsContact N-O 3.17Å; L171-L173 HydrophobicContact CB-CD1 4.35Å; L171-L173 HydrophobicContact CB-CG 4.2Å; L171-L173 HydrophobicContact CD1-CD1 4.13Å; L171-L173 PolarHBondContact O-N 3.01Å; L171-I176 HydrophobicContact CB-CD1 4.19Å; L171-I176 HydrophobicContact CD1-CD1 4.15Å; L171-L180 HydrophobicContact CD1-CD2 3.69Å; L171-L182 HydrophobicContact CD1-CD2 4.36Å; L171-I187 HydrophobicContact CD2-CB 4.31Å; L171-I187 HydrophobicContact CD2-CD1 4.48Å; L171-I187 HydrophobicContact CD2-CG1 4.49Å; L171-L191 HydrophobicContact CD2-CD1 3.89Å; L171-L199 HydrophobicContact CD2-CD1 3.74Å; L171-L199 HydrophobicContact CD2-CD2 4.13Å
172	A	94.4	Very high	95	Very high	66 Å²	66	44.6 Å²	44.6	55%	0.545	24%	0.241	S	C	.	.	S	Bend	trans	-75.5	32.9	176.9	0	0	0	0	0	113.8	L191	A172-L191 HydrophobicContact CB-CD2 4.38Å
173	L	93.8	Very high	94.6	Very high	66 Å²	66	47.8 Å²	47.8	35%	0.346	25%	0.252	S	S	.	.			trans	-110.7	153.1	-176.9	-58	177.3	0	0	0	110.7	R120 L171 S175 I176 L180	R120-L173 WeakPolarHBondContact CB-O 3.24Å; R120-L173 WeakPolarHBondContact CG-O 3.44Å; R120-L173 PolarHBondContact N-O 3.34Å; L171-L173 HydrophobicContact CB-CD1 4.35Å; L171-L173 HydrophobicContact CB-CG 4.2Å; L171-L173 HydrophobicContact CD1-CD1 4.13Å; L171-L173 PolarHBondContact O-N 3.01Å; L173-S175 WeakPolarHBondContact CB-O 3.44Å; L173-I176 HydrophobicContact CB-CD1 4.29Å; L173-I176 HydrophobicContact CD1-CD1 4.15Å; L173-L180 HydrophobicContact CD1-CD1 4.47Å
174	Q	93.2	Very high	94.2	Very high	136 Å²	136	47.6 Å²	47.6	64%	0.636	26%	0.26	S	S	*	.	S	Bend	trans	-78.9	-32.5	176	-55.8	-165	21	0	0	112.3	P119	P119-Q174 WeakPolarHBondContact CB-O 3.37Å
175	S	94.8	Very high	93.7	Very high	52 Å²	52	49.3 Å²	49.3	36%	0.364	27%	0.27	S	S	.	.	S	Bend	trans	-138.2	161	173.9	54.6	0	0	0	0	110.4	C90 V91 L173	C90-S175 WeakPolarHBondContact O-CB 3.16Å; V91-S175 CarbonylContact O-C 3.53Å; V91-S175 WeakPolarHBondContact O-CA 3.19Å; V91-S175 VanDerWaalsContact O-CB 3.27Å; V91-S175 WeakPolarHBondContact O-CB 3.28Å; L173-S175 WeakPolarHBondContact CB-O 3.44Å
176	I	96.4	Very high	93.3	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.015	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-110.7	104.8	179.6	-58.9	-57.5	0	0	0	108.8	V91 K94 V117 P119 L171 L173 L180	V91-I176 PolarHBondContact O-N 3.4Å; K94-I176 HydrophobicContact CB-CG2 4.16Å; V117-I176 HydrophobicContact CG1-CD1 4.09Å; V117-I176 HydrophobicContact CG1-CG1 4.47Å; V117-I176 HydrophobicContact CG1-CG2 4.15Å; P119-I176 HydrophobicContact CB-CG1 4.25Å; L171-I176 HydrophobicContact CB-CD1 4.19Å; L171-I176 HydrophobicContact CD1-CD1 4.15Å; L173-I176 HydrophobicContact CB-CD1 4.29Å; L173-I176 HydrophobicContact CD1-CD1 4.15Å; I176-L180 HydrophobicContact CG2-CD2 4Å
177	P	92.9	Very high	93	Very high	56 Å²	56	52.5 Å²	52.5	36%	0.364	29%	0.293	S	S	.	.			trans	-77	144.6	-176.6	31.1	-34	0	0	0	111.6	N179 L180	P177-N179 PolarHBondContact O-N 3.15Å; P177-N179 VanDerWaalsContact O-N 3.1Å; P177-L180 HydrophobicContact CG-CB 4.19Å; P177-L180 VanDerWaalsContact O-CB 3.22Å; P177-L180 WeakPolarHBondContact O-CB 3Å; P177-L180 PolarHBondContact O-N 2.96Å
178	D	88.8	Confident	92.7	Very high	99 Å²	99	51.9 Å²	51.9	53%	0.529	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.6	-175.9	-76.8	-56.1	0	0	0	113.8	K71 K94	K71-D178 IonicContact NZ-OD1 2.85Å; K71-D178 PolarHBondContact NZ-OD1 3.15Å; K71-D178 IonicContact NZ-OD2 3.34Å; K71-D178 PolarHBondContact NZ-OD2 3.28Å; K94-D178 PolarHBondContact NZ-O 3.15Å
179	N	90.4	Very high	92.3	Very high	142 Å²	142	57.3 Å²	57.3	76%	0.759	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	10.7	176	72.1	-17.6	0	0	0	114.9	P177 D181	P177-N179 PolarHBondContact O-N 3.15Å; P177-N179 VanDerWaalsContact O-N 3.1Å; N179-D181 PolarHBondContact O-N 3.26Å
180	L	92.7	Very high	91.8	Very high	26 Å²	26	65.3 Å²	65.3	14%	0.136	36%	0.356	C	S	.	.			trans	-55.8	125.8	179.5	176.6	64.8	0	0	0	112.8	F96 V117 L171 L173 I176 P177 L182	F96-L180 WeakPolarHBondContact CE1-O 3.28Å; F96-L180 HydrophobicContact CE2-CD2 4.47Å; F96-L180 HydrophobicContact CZ-CB 4.22Å; F96-L180 HydrophobicContact CZ-CD2 4.26Å; F96-L180 HydrophobicContact CZ-CG 4.29Å; F96-L180 WeakPolarHBondContact CZ-O 3.16Å; V117-L180 HydrophobicContact CG1-CD2 4.09Å; L171-L180 HydrophobicContact CD1-CD2 3.69Å; L173-L180 HydrophobicContact CD1-CD1 4.47Å; I176-L180 HydrophobicContact CG2-CD2 4Å; P177-L180 HydrophobicContact CG-CB 4.19Å; P177-L180 VanDerWaalsContact O-CB 3.22Å; P177-L180 WeakPolarHBondContact O-CB 3Å; P177-L180 PolarHBondContact O-N 2.96Å; L180-L182 HydrophobicContact CD2-CD2 3.79Å; L180-L182 HydrophobicContact CG-CD2 4Å
181	D	91.3	Very high	91.6	Very high	75 Å²	75	61.9 Å²	61.9	40%	0.401	35%	0.345	S	S	.	.			trans	-99.1	125.4	168.9	-173.3	-16.5	0	0	0	109.8	N179 R183	N179-D181 PolarHBondContact O-N 3.26Å; D181-R183 WeakPolarHBondContact OD1-CB 3.5Å; D181-R183 VanDerWaalsContact OD1-CG 3.29Å; D181-R183 WeakPolarHBondContact OD1-CG 3.31Å; D181-R183 PolarHBondContact OD1-N 2.98Å; D181-R183 IonicContact OD1-NE 3.66Å; D181-R183 PolarHBondContact OD1-NE 2.66Å; D181-R183 VanDerWaalsContact OD1-NE 3.12Å; D181-R183 IonicContact OD2-CZ 2.71Å; D181-R183 VanDerWaalsContact OD2-CZ 3.29Å; D181-R183 IonicContact OD2-NE 2.65Å; D181-R183 PolarHBondContact OD2-NE 3.1Å; D181-R183 VanDerWaalsContact OD2-NE 3.07Å; D181-R183 IonicContact OD2-NH2 3.73Å; D181-R183 PolarHBondContact OD2-NH2 2.85Å
182	L	93.4	Very high	91.3	Very high	7 Å²	7	64.4 Å²	64.4	4%	0.037	36%	0.358	C	S	.	.	S	Bend	trans	-85.2	-7.4	-177.3	-61	179.9	0	0	0	114	F96 L115 V117 L171 L180 I187 L199 C202 R203	F96-L182 HydrophobicContact CB-CD1 4.12Å; F96-L182 HydrophobicContact CD1-CD1 3.63Å; F96-L182 HydrophobicContact CD1-CG 4.09Å; F96-L182 HydrophobicContact CD2-CD1 3.9Å; F96-L182 HydrophobicContact CE1-CD1 3.9Å; F96-L182 HydrophobicContact CE1-CG 3.84Å; F96-L182 HydrophobicContact CE2-CD1 4.14Å; F96-L182 HydrophobicContact CE2-CD2 4.39Å; F96-L182 HydrophobicContact CE2-CG 4.37Å; F96-L182 HydrophobicContact CG-CD1 3.63Å; F96-L182 HydrophobicContact CG-CG 4.46Å; F96-L182 HydrophobicContact CZ-CD1 4.13Å; F96-L182 HydrophobicContact CZ-CD2 4.21Å; F96-L182 HydrophobicContact CZ-CG 3.98Å; L115-L182 HydrophobicContact CD2-CD1 4.26Å; V117-L182 HydrophobicContact CG2-CD1 4.3Å; V117-L182 HydrophobicContact CG2-CD2 4.49Å; L171-L182 HydrophobicContact CD1-CD2 4.36Å; L180-L182 HydrophobicContact CD2-CD2 3.79Å; L180-L182 HydrophobicContact CG-CD2 4Å; L182-I187 HydrophobicContact CB-CD1 4.06Å; L182-I187 HydrophobicContact CD2-CD1 3.91Å; L182-I187 WeakPolarHBondContact O-CD1 3.37Å; L182-L199 HydrophobicContact CD1-CD2 4.27Å; L182-L199 HydrophobicContact CD2-CD2 4.06Å; L182-C202 HydrophobicContact CD1-CB 3.82Å; L182-R203 HydrophobicContact CB-CG 4.41Å; L182-R203 WeakPolarHBondContact O-CG 3.43Å; L182-R203 PolarHBondContact O-NH1 2.69Å
183	R	87.8	Confident	91.1	Very high	82 Å²	82	64.9 Å²	64.9	31%	0.309	35%	0.35	S	S	.	.			trans	-73.7	-27	-173.5	-63.5	176.9	-60.5	146.4	1.8	114	D181 D185 R203 D206 E207	D181-R183 WeakPolarHBondContact OD1-CB 3.5Å; D181-R183 VanDerWaalsContact OD1-CG 3.29Å; D181-R183 WeakPolarHBondContact OD1-CG 3.31Å; D181-R183 PolarHBondContact OD1-N 2.98Å; D181-R183 IonicContact OD1-NE 3.66Å; D181-R183 PolarHBondContact OD1-NE 2.66Å; D181-R183 VanDerWaalsContact OD1-NE 3.12Å; D181-R183 IonicContact OD2-CZ 2.71Å; D181-R183 VanDerWaalsContact OD2-CZ 3.29Å; D181-R183 IonicContact OD2-NE 2.65Å; D181-R183 PolarHBondContact OD2-NE 3.1Å; D181-R183 VanDerWaalsContact OD2-NE 3.07Å; D181-R183 IonicContact OD2-NH2 3.73Å; D181-R183 PolarHBondContact OD2-NH2 2.85Å; R183-D185 PolarHBondContact O-N 2.91Å; R183-R203 PolarHBondContact O-NH1 2.86Å; R183-D206 HydrophobicContact CG-CB 4.4Å; R183-E207 IonicContact NH1-OE1 3.5Å
184	G	87.1	Confident	91.1	Very high	34 Å²	34	66.1 Å²	66.1	35%	0.351	35%	0.351	S	S	.	.	S	Bend	trans	-67.8	126.5	-179.5	0	0	0	0	0	113.1	S186 I187 R203	G184-S186 PolarHBondContact O-N 2.73Å; G184-S186 VanDerWaalsContact O-N 3.14Å; G184-I187 WeakPolarHBondContact O-CG1 3.25Å; G184-I187 PolarHBondContact O-N 3.28Å; G184-R203 PolarHBondContact O-NH1 3.06Å
185	D	89.2	Confident	91.2	Very high	37 Å²	37	60 Å²	60	20%	0.198	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-59.2	-24	-179.9	-85.6	21.7	0	0	0	114.6	R183 I187 L188 R203 S291 Y318	R183-D185 PolarHBondContact O-N 2.91Å; D185-I187 PolarHBondContact O-N 2.81Å; D185-I187 VanDerWaalsContact O-N 3.11Å; D185-L188 WeakPolarHBondContact O-CB 3.42Å; D185-L188 PolarHBondContact O-N 2.94Å; D185-R203 IonicContact OD1-CZ 3.32Å; D185-R203 IonicContact OD1-NH1 3.1Å; D185-R203 IonicContact OD1-NH2 2.74Å; D185-R203 PolarHBondContact OD1-NH2 3.13Å; D185-S291 VanDerWaalsContact OD2-CB 3.26Å; D185-S291 WeakPolarHBondContact OD2-CB 3.4Å; D185-S291 PolarHBondContact OD2-OG 3.27Å; D185-Y318 WeakPolarHBondContact OD2-CB 3.48Å; D185-Y318 WeakPolarHBondContact OD2-CD1 3.38Å
186	S	88.8	Confident	91.1	Very high	79 Å²	79	57.8 Å²	57.8	55%	0.552	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-55.5	-27.9	178.4	50.6	0	0	0	0	113.6	G184 L188 K189	G184-S186 PolarHBondContact O-N 2.73Å; G184-S186 VanDerWaalsContact O-N 3.14Å; S186-L188 VanDerWaalsContact C-N 3.29Å; S186-L188 PolarHBondContact O-N 3.41Å; S186-K189 WeakPolarHBondContact O-CB 3.37Å; S186-K189 WeakPolarHBondContact O-CG 3.3Å
187	I	91.5	Very high	90.9	Very high	24 Å²	24	61.4 Å²	61.4	12%	0.123	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-71.7	-22.6	179.3	80.1	179.7	0	0	0	113	L171 L182 G184 D185 K189 L191 L199	L171-I187 HydrophobicContact CD2-CB 4.31Å; L171-I187 HydrophobicContact CD2-CD1 4.48Å; L171-I187 HydrophobicContact CD2-CG1 4.49Å; L182-I187 HydrophobicContact CB-CD1 4.06Å; L182-I187 HydrophobicContact CD2-CD1 3.91Å; L182-I187 WeakPolarHBondContact O-CD1 3.37Å; G184-I187 WeakPolarHBondContact O-CG1 3.25Å; G184-I187 PolarHBondContact O-N 3.28Å; D185-I187 PolarHBondContact O-N 2.81Å; D185-I187 VanDerWaalsContact O-N 3.11Å; I187-K189 VanDerWaalsContact C-N 3.27Å; I187-K189 PolarHBondContact O-N 3.46Å; I187-L191 VanDerWaalsContact O-CD1 3.28Å; I187-L191 WeakPolarHBondContact O-CD1 3.26Å; I187-L191 WeakPolarHBondContact O-CG 3.41Å; I187-L199 HydrophobicContact CD1-CD1 4.48Å; I187-L199 HydrophobicContact CD1-CD2 4.17Å
188	L	93	Very high	91	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.021	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-81	-7.6	-177.6	-56.6	-180	0	0	0	112.8	D185 S186 N190 L191 I196 L199 L293 L295 Y318	D185-L188 WeakPolarHBondContact O-CB 3.42Å; D185-L188 PolarHBondContact O-N 2.94Å; S186-L188 VanDerWaalsContact C-N 3.29Å; S186-L188 PolarHBondContact O-N 3.41Å; L188-N190 PolarHBondContact O-N 3.02Å; L188-L191 PolarHBondContact O-N 3.25Å; L188-I196 HydrophobicContact CD2-CG1 4.37Å; L188-I196 HydrophobicContact CD2-CG2 4.43Å; L188-L199 HydrophobicContact CD2-CB 4.29Å; L188-L199 HydrophobicContact CD2-CD1 3.79Å; L188-L293 HydrophobicContact CB-CD1 3.8Å; L188-L295 HydrophobicContact CD1-CD1 4.42Å; L188-Y318 HydrophobicContact CD1-CD1 4.1Å
189	K	89.7	Confident	91.4	Very high	114 Å²	114	54 Å²	54	50%	0.496	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	126.9	179.7	-73.6	178.4	175.4	-175.4	0	110.9	S186 I187 L191 L293	S186-K189 WeakPolarHBondContact O-CB 3.37Å; S186-K189 WeakPolarHBondContact O-CG 3.3Å; I187-K189 VanDerWaalsContact C-N 3.27Å; I187-K189 PolarHBondContact O-N 3.46Å; K189-L191 PolarHBondContact O-N 3.03Å; K189-L293 HydrophobicContact CG-CD1 4.43Å; K189-L293 HydrophobicContact CG-CD2 3.67Å
190	N	86.8	Confident	91.5	Very high	169 Å²	169	48.6 Å²	48.6	90%	0.904	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	27.1	175.6	-52.4	-13.8	0	0	0	114.5	L188	L188-N190 PolarHBondContact O-N 3.02Å
191	L	91.7	Very high	91.5	Very high	27 Å²	27	48.3 Å²	48.3	14%	0.141	25%	0.252	C	S	.	.			trans	-88.8	151.3	175	-61.4	-163.2	0	0	0	112.9	R170 L171 A172 I187 L188 K189 C195 I196 L199	R170-L191 WeakPolarHBondContact O-CD2 3.48Å; L171-L191 HydrophobicContact CD2-CD1 3.89Å; A172-L191 HydrophobicContact CB-CD2 4.38Å; I187-L191 VanDerWaalsContact O-CD1 3.28Å; I187-L191 WeakPolarHBondContact O-CD1 3.26Å; I187-L191 WeakPolarHBondContact O-CG 3.41Å; L188-L191 PolarHBondContact O-N 3.25Å; K189-L191 PolarHBondContact O-N 3.03Å; L191-C195 HydrophobicContact CB-CB 4.27Å; L191-C195 HydrophobicContact CD1-CB 4.26Å; L191-I196 HydrophobicContact CB-CD1 4.23Å; L191-I196 HydrophobicContact CB-CG1 3.82Å; L191-L199 HydrophobicContact CD1-CD1 3.43Å; L191-L199 VanDerWaalsContact CD1-CD1 3.43Å
192	D	90.4	Very high	91.8	Very high	55 Å²	55	45 Å²	45	29%	0.294	24%	0.235	S	C	.	.			trans	-61.2	142.8	166.2	135.7	70.9	0	0	0	110.7	R124 R194 C195 I196	R124-D192 IonicContact CZ-OD2 3.7Å; R124-D192 IonicContact NE-OD2 2.7Å; R124-D192 IonicContact NH2-OD2 2.7Å; R124-D192 PolarHBondContact NH2-OD2 3.13Å; D192-R194 VanDerWaalsContact CG-N 3.33Å; D192-R194 PolarHBondContact O-N 2.78Å; D192-R194 VanDerWaalsContact O-N 3.16Å; D192-R194 WeakPolarHBondContact OD1-CB 3.08Å; D192-R194 PolarHBondContact OD1-N 3.35Å; D192-R194 IonicContact OD1-NE 3.75Å; D192-R194 PolarHBondContact OD1-NE 2.97Å; D192-R194 WeakPolarHBondContact OD2-CB 3.49Å; D192-R194 PolarHBondContact OD2-N 2.94Å; D192-C195 WeakPolarHBondContact O-CA 3.26Å; D192-C195 WeakPolarHBondContact O-CB 3.26Å; D192-C195 PolarHBondContact O-N 3.27Å; D192-C195 PolarHBondContact OD2-N 3.42Å; D192-C195 PolarHBondContact OD2-SG 2.8Å; D192-C195 VanDerWaalsContact OD2-SG 3.39Å; D192-I196 PolarHBondContact O-N 3.35Å
193	I	90.1	Very high	91.9	Very high	75 Å²	75	44.8 Å²	44.8	39%	0.385	23%	0.233	S	C	.	.	H	α-helix	trans	-59.3	-29.7	-178.4	-171.1	58.8	0	0	0	112.4	I196 R197	I193-I196 HydrophobicContact CD1-CB 4.5Å; I193-I196 PolarHBondContact O-N 3.48Å; I193-R197 VanDerWaalsContact O-CG 3.28Å; I193-R197 WeakPolarHBondContact O-CG 3.04Å; I193-R197 PolarHBondContact O-N 2.88Å
194	R	93.1	Very high	92.3	Very high	93 Å²	93	41.3 Å²	41.3	35%	0.351	22%	0.221	S	C	.	.	H	α-helix	trans	-69.3	-41.8	174.3	-57.9	174.2	-72	172.1	-4.2	111	E148 P153 D192 I196 R197 S198	E148-R194 IonicContact OE1-NH1 2.69Å; P153-R194 HydrophobicContact CG-CB 4.15Å; P153-R194 HydrophobicContact CG-CG 4.31Å; D192-R194 VanDerWaalsContact CG-N 3.33Å; D192-R194 PolarHBondContact O-N 2.78Å; D192-R194 VanDerWaalsContact O-N 3.16Å; D192-R194 WeakPolarHBondContact OD1-CB 3.08Å; D192-R194 PolarHBondContact OD1-N 3.35Å; D192-R194 IonicContact OD1-NE 3.75Å; D192-R194 PolarHBondContact OD1-NE 2.97Å; D192-R194 WeakPolarHBondContact OD2-CB 3.49Å; D192-R194 PolarHBondContact OD2-N 2.94Å; R194-I196 PolarHBondContact O-N 2.97Å; R194-R197 PolarHBondContact O-N 2.85Å; R194-S198 PolarHBondContact O-N 3.35Å; R194-S198 PolarHBondContact O-OG 3.42Å; R194-S198 VanDerWaalsContact O-OG 3.08Å
195	C	94.6	Very high	92.8	Very high	6 Å²	6	40 Å²	40	4%	0.041	21%	0.206	C	C	.	.	H	α-helix	trans	-58.6	-43.3	170.7	-73.2	0	0	0	0	112.7	R124 A169 R170 L191 D192 S198 L199	R124-C195 VanDerWaalsContact NH2-N 3.12Å; R124-C195 PolarHBondContact NH2-SG 3.03Å; A169-C195 HydrophobicContact CB-CB 4.49Å; R170-C195 PolarHBondContact N-SG 3.21Å; R170-C195 VanDerWaalsContact N-SG 3.37Å; L191-C195 HydrophobicContact CB-CB 4.27Å; L191-C195 HydrophobicContact CD1-CB 4.26Å; D192-C195 WeakPolarHBondContact O-CA 3.26Å; D192-C195 WeakPolarHBondContact O-CB 3.26Å; D192-C195 PolarHBondContact O-N 3.27Å; D192-C195 PolarHBondContact OD2-N 3.42Å; D192-C195 PolarHBondContact OD2-SG 2.8Å; D192-C195 VanDerWaalsContact OD2-SG 3.39Å; C195-S198 WeakPolarHBondContact O-CB 3.46Å; C195-S198 PolarHBondContact O-N 3.08Å; C195-L199 WeakPolarHBondContact O-CG 3.42Å; C195-L199 PolarHBondContact O-N 2.95Å
196	I	93.4	Very high	93.1	Very high	6 Å²	6	40 Å²	40	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-61.9	-44.3	178.1	-64.7	171	0	0	0	110.5	L188 L191 D192 I193 R194 S198 L199 N200 L295 P319	L188-I196 HydrophobicContact CD2-CG1 4.37Å; L188-I196 HydrophobicContact CD2-CG2 4.43Å; L191-I196 HydrophobicContact CB-CD1 4.23Å; L191-I196 HydrophobicContact CB-CG1 3.82Å; D192-I196 PolarHBondContact O-N 3.35Å; I193-I196 HydrophobicContact CD1-CB 4.5Å; I193-I196 PolarHBondContact O-N 3.48Å; R194-I196 PolarHBondContact O-N 2.97Å; I196-S198 PolarHBondContact O-N 3.05Å; I196-L199 PolarHBondContact O-N 3.41Å; I196-N200 PolarHBondContact O-N 3.33Å; I196-N200 VanDerWaalsContact O-N 3.09Å; I196-L295 HydrophobicContact CD1-CD1 3.91Å; I196-L295 HydrophobicContact CD1-CD2 3.76Å; I196-L295 HydrophobicContact CG2-CD1 4.07Å; I196-P319 HydrophobicContact CG2-CG 4.28Å
197	R	92.9	Very high	93.5	Very high	80 Å²	80	37 Å²	37	30%	0.302	18%	0.184	S	C	.	.	H	α-helix	trans	-61.3	-43	174.9	-69.8	171	-170.3	170	3.5	112.2	F151 V152 I193 R194 N200	F151-R197 HydrophobicContact CE1-CG 4.24Å; F151-R197 HydrophobicContact CZ-CG 4.47Å; F151-R197 WeakPolarHBondContact O-CD 3.18Å; F151-R197 PolarHBondContact O-NH1 3.16Å; V152-R197 HydrophobicContact CG1-CB 4.2Å; V152-R197 HydrophobicContact CG2-CB 3.99Å; I193-R197 VanDerWaalsContact O-CG 3.28Å; I193-R197 WeakPolarHBondContact O-CG 3.04Å; I193-R197 PolarHBondContact O-N 2.88Å; R194-R197 PolarHBondContact O-N 2.85Å; R197-N200 PolarHBondContact O-N 3.31Å
198	S	95.4	Very high	93.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.8	-44.9	175.2	-58	0	0	0	0	112.5	F168 R194 C195 I196 N200	F168-S198 WeakPolarHBondContact O-CB 3.44Å; F168-S198 PolarHBondContact O-OG 3.34Å; R194-S198 PolarHBondContact O-N 3.35Å; R194-S198 PolarHBondContact O-OG 3.42Å; R194-S198 VanDerWaalsContact O-OG 3.08Å; C195-S198 WeakPolarHBondContact O-CB 3.46Å; C195-S198 PolarHBondContact O-N 3.08Å; I196-S198 PolarHBondContact O-N 3.05Å; S198-N200 VanDerWaalsContact C-N 3.31Å; S198-N200 PolarHBondContact O-N 3.22Å
199	L	95.9	Very high	94	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.9	-31	179.6	-73.4	161.1	0	0	0	113.1	L115 A169 L171 L182 I187 L188 L191 C195 I196 G201 C202 R203	L115-L199 HydrophobicContact CD2-CD2 3.98Å; A169-L199 HydrophobicContact CB-CD1 4.26Å; A169-L199 HydrophobicContact CB-CD2 4Å; A169-L199 HydrophobicContact CB-CG 3.74Å; L171-L199 HydrophobicContact CD2-CD1 3.74Å; L171-L199 HydrophobicContact CD2-CD2 4.13Å; L182-L199 HydrophobicContact CD1-CD2 4.27Å; L182-L199 HydrophobicContact CD2-CD2 4.06Å; I187-L199 HydrophobicContact CD1-CD1 4.48Å; I187-L199 HydrophobicContact CD1-CD2 4.17Å; L188-L199 HydrophobicContact CD2-CB 4.29Å; L188-L199 HydrophobicContact CD2-CD1 3.79Å; L191-L199 HydrophobicContact CD1-CD1 3.43Å; L191-L199 VanDerWaalsContact CD1-CD1 3.43Å; C195-L199 WeakPolarHBondContact O-CG 3.42Å; C195-L199 PolarHBondContact O-N 2.95Å; I196-L199 PolarHBondContact O-N 3.41Å; L199-G201 PolarHBondContact O-N 2.95Å; L199-C202 PolarHBondContact O-N 3.1Å; L199-R203 VanDerWaalsContact O-CG 3.31Å; L199-R203 WeakPolarHBondContact O-CG 3.37Å; L199-R203 PolarHBondContact O-N 3.44Å
200	N	93.4	Very high	94.3	Very high	28 Å²	28	36.6 Å²	36.6	15%	0.15	18%	0.179	C	C	.	.	H	α-helix	trans	-62	-29.2	-177.7	-87.7	6.2	0	0	0	113.4	I196 R197 S198 R203 V204	I196-N200 PolarHBondContact O-N 3.33Å; I196-N200 VanDerWaalsContact O-N 3.09Å; R197-N200 PolarHBondContact O-N 3.31Å; S198-N200 VanDerWaalsContact C-N 3.31Å; S198-N200 PolarHBondContact O-N 3.22Å; N200-R203 PolarHBondContact O-N 3.42Å; N200-V204 VanDerWaalsContact O-CB 3.29Å; N200-V204 WeakPolarHBondContact O-CB 3.21Å; N200-V204 VanDerWaalsContact O-CG2 3.26Å; N200-V204 WeakPolarHBondContact O-CG2 3.23Å; N200-V204 PolarHBondContact O-N 3.46Å
201	G	92.8	Very high	94.8	Very high	20 Å²	20	29.4 Å²	29.4	21%	0.206	14%	0.14	C	C	.	.	H	α-helix	trans	-57.8	-53.3	174.6	0	0	0	0	0	112.5	L199 T205	L199-G201 PolarHBondContact O-N 2.95Å; G201-T205 WeakPolarHBondContact O-CB 3.48Å; G201-T205 PolarHBondContact O-N 3.27Å; G201-T205 PolarHBondContact O-OG1 3.31Å
202	C	96.1	Very high	95.1	Very high	6 Å²	6	28.4 Å²	28.4	4%	0.041	14%	0.135	C	C	.	.	H	α-helix	trans	-64.1	-48.9	175.4	-61.2	0	0	0	0	112	F98 L115 L182 L199 V204 T205 D206	F98-C202 HydrophobicContact CB-CB 4.38Å; L115-C202 HydrophobicContact CD2-CB 4.44Å; L115-C202 VanDerWaalsContact CD2-SG 3.55Å; L182-C202 HydrophobicContact CD1-CB 3.82Å; L199-C202 PolarHBondContact O-N 3.1Å; C202-V204 PolarHBondContact O-N 3.06Å; C202-T205 PolarHBondContact O-N 3.15Å; C202-D206 PolarHBondContact O-N 2.87Å
203	R	96.4	Very high	95.4	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-57.1	-48	-177.2	-72.7	166.3	61.1	79.1	0.5	112.4	L182 R183 G184 D185 L199 N200 E207 A317 Y318	L182-R203 HydrophobicContact CB-CG 4.41Å; L182-R203 WeakPolarHBondContact O-CG 3.43Å; L182-R203 PolarHBondContact O-NH1 2.69Å; R183-R203 PolarHBondContact O-NH1 2.86Å; G184-R203 PolarHBondContact O-NH1 3.06Å; D185-R203 IonicContact OD1-CZ 3.32Å; D185-R203 IonicContact OD1-NH1 3.1Å; D185-R203 IonicContact OD1-NH2 2.74Å; D185-R203 PolarHBondContact OD1-NH2 3.13Å; L199-R203 VanDerWaalsContact O-CG 3.31Å; L199-R203 WeakPolarHBondContact O-CG 3.37Å; L199-R203 PolarHBondContact O-N 3.44Å; N200-R203 PolarHBondContact O-N 3.42Å; R203-E207 WeakPolarHBondContact O-CB 3.21Å; R203-E207 WeakPolarHBondContact O-CG 3.38Å; R203-E207 PolarHBondContact O-N 3.03Å; R203-A317 HydrophobicContact CB-CB 3.73Å; R203-Y318 PolarHBondContact NE-O 2.92Å; R203-Y318 PolarHBondContact NH2-O 3.48Å
204	V	96.6	Very high	95.8	Very high	9 Å²	9	27.1 Å²	27.1	6%	0.055	13%	0.131	C	C	.	.	H	α-helix	trans	-65.7	-40.1	178.5	169.3	0	0	0	0	111.6	N200 C202 I208 V245 T315 A317	N200-V204 VanDerWaalsContact O-CB 3.29Å; N200-V204 WeakPolarHBondContact O-CB 3.21Å; N200-V204 VanDerWaalsContact O-CG2 3.26Å; N200-V204 WeakPolarHBondContact O-CG2 3.23Å; N200-V204 PolarHBondContact O-N 3.46Å; C202-V204 PolarHBondContact O-N 3.06Å; V204-I208 HydrophobicContact CG1-CD1 3.8Å; V204-I208 HydrophobicContact CG1-CG1 4.49Å; V204-I208 WeakPolarHBondContact O-CD1 3.43Å; V204-I208 VanDerWaalsContact O-CG1 3.23Å; V204-I208 WeakPolarHBondContact O-CG1 3.23Å; V204-I208 PolarHBondContact O-N 3.11Å; V204-V245 HydrophobicContact CG1-CG2 3.69Å; V204-T315 HydrophobicContact CG1-CG2 4.38Å; V204-T315 HydrophobicContact CG2-CG2 4.03Å; V204-A317 HydrophobicContact CG2-CB 4.03Å
205	T	97.4	Very high	96	Very high	6 Å²	6	27.5 Å²	27.5	4%	0.037	14%	0.135	C	C	.	.	H	α-helix	trans	-64.6	-47.4	-178.9	-59	0	0	0	0	112	G99 R102 L103 G201 C202 I208 L209	G99-T205 PolarHBondContact N-OG1 3.39Å; G99-T205 VanDerWaalsContact N-OG1 3.13Å; R102-T205 HydrophobicContact CB-CG2 3.85Å; R102-T205 HydrophobicContact CG-CG2 3.49Å; R102-T205 VanDerWaalsContact CG-CG2 3.49Å; L103-T205 HydrophobicContact CD2-CG2 3.85Å; L103-T205 HydrophobicContact CG-CG2 3.86Å; G201-T205 WeakPolarHBondContact O-CB 3.48Å; G201-T205 PolarHBondContact O-N 3.27Å; G201-T205 PolarHBondContact O-OG1 3.31Å; C202-T205 PolarHBondContact O-N 3.15Å; T205-I208 PolarHBondContact O-N 3.06Å; T205-L209 WeakPolarHBondContact O-CG 3.36Å; T205-L209 PolarHBondContact O-N 3.1Å; T205-L209 VanDerWaalsContact O-N 3.16Å
206	D	96.1	Very high	96.2	Very high	36 Å²	36	32.3 Å²	32.3	19%	0.193	16%	0.157	C	C	.	.	H	α-helix	trans	-75.2	-31.1	-179.4	-83.4	3.9	0	0	0	112.8	R102 R183 C202 L209 Y210	R102-D206 IonicContact CZ-OD1 2.66Å; R102-D206 IonicContact CZ-OD2 2.69Å; R102-D206 IonicContact NE-OD1 3.19Å; R102-D206 PolarHBondContact NE-OD1 3.45Å; R102-D206 IonicContact NE-OD2 2.7Å; R102-D206 VanDerWaalsContact NH2-CG 3.3Å; R102-D206 IonicContact NH2-OD1 2.73Å; R102-D206 PolarHBondContact NH2-OD1 3.5Å; R102-D206 VanDerWaalsContact NH2-OD1 3.08Å; R102-D206 IonicContact NH2-OD2 2.85Å; R102-D206 PolarHBondContact NH2-OD2 3.17Å; R183-D206 HydrophobicContact CG-CB 4.4Å; C202-D206 PolarHBondContact O-N 2.87Å; D206-L209 PolarHBondContact O-N 2.98Å; D206-Y210 WeakPolarHBondContact O-CB 3.33Å; D206-Y210 PolarHBondContact O-N 2.78Å
207	E	96.1	Very high	96.4	Very high	17 Å²	17	33.4 Å²	33.4	8%	0.079	16%	0.163	C	C	.	.	H	α-helix	trans	-62.6	-43.3	168.3	-80.4	-68.4	93.7	0	0	111.5	R183 R203 L209 Y210 L211 K286 P316 A317	R183-E207 IonicContact NH1-OE1 3.5Å; R203-E207 WeakPolarHBondContact O-CB 3.21Å; R203-E207 WeakPolarHBondContact O-CG 3.38Å; R203-E207 PolarHBondContact O-N 3.03Å; E207-L209 VanDerWaalsContact C-N 3.29Å; E207-L209 PolarHBondContact O-N 3.27Å; E207-Y210 PolarHBondContact O-N 2.79Å; E207-L211 HydrophobicContact CB-CD1 4.27Å; E207-L211 VanDerWaalsContact O-CB 3.28Å; E207-L211 WeakPolarHBondContact O-CB 3.31Å; E207-L211 WeakPolarHBondContact O-CD1 3.33Å; E207-L211 WeakPolarHBondContact O-CG 3.35Å; E207-L211 PolarHBondContact O-N 3.31Å; E207-K286 VanDerWaalsContact OE2-CD 3.3Å; E207-K286 WeakPolarHBondContact OE2-CD 3.44Å; E207-K286 IonicContact OE2-NZ 3.13Å; E207-K286 PolarHBondContact OE2-NZ 3.09Å; E207-P316 HydrophobicContact CB-CB 4.06Å; E207-P316 HydrophobicContact CB-CG 3.7Å; E207-A317 HydrophobicContact CG-CB 4.23Å
208	I	98	Very high	96.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.2	-43.8	174.6	-72.4	164.7	0	0	0	110.7	L103 V204 T205 Y210 L211 V212 F218 V245 A248 M249 A252 L285 P316	L103-I208 HydrophobicContact CD2-CG2 4.04Å; V204-I208 HydrophobicContact CG1-CD1 3.8Å; V204-I208 HydrophobicContact CG1-CG1 4.49Å; V204-I208 WeakPolarHBondContact O-CD1 3.43Å; V204-I208 VanDerWaalsContact O-CG1 3.23Å; V204-I208 WeakPolarHBondContact O-CG1 3.23Å; V204-I208 PolarHBondContact O-N 3.11Å; T205-I208 PolarHBondContact O-N 3.06Å; I208-Y210 VanDerWaalsContact C-N 3.29Å; I208-Y210 PolarHBondContact O-N 2.7Å; I208-L211 PolarHBondContact O-N 3.32Å; I208-V212 PolarHBondContact O-N 2.78Å; I208-F218 HydrophobicContact CG2-CE1 4.36Å; I208-F218 HydrophobicContact CG2-CE2 4.07Å; I208-F218 HydrophobicContact CG2-CZ 3.62Å; I208-V245 HydrophobicContact CD1-CG2 4.17Å; I208-A248 HydrophobicContact CD1-CB 4.34Å; I208-M249 HydrophobicContact CD1-CG 3.62Å; I208-M249 HydrophobicContact CD1-SD 4.46Å; I208-M249 HydrophobicContact CG1-CG 4.09Å; I208-A252 HydrophobicContact CG2-CB 4.19Å; I208-L285 HydrophobicContact CG1-CD1 3.94Å; I208-P316 HydrophobicContact CG1-CG 4.3Å
209	L	97.1	Very high	96.9	Very high	13 Å²	13	32.6 Å²	32.6	7%	0.068	16%	0.16	C	C	.	.	H	α-helix	trans	-69.5	-22.1	177.2	-68.1	173.4	0	0	0	113.7	L103 T205 D206 E207 K215 F218	L103-L209 HydrophobicContact CD2-CD1 4.4Å; L103-L209 HydrophobicContact CD2-CD2 3.92Å; L103-L209 HydrophobicContact CD2-CG 3.89Å; T205-L209 WeakPolarHBondContact O-CG 3.36Å; T205-L209 PolarHBondContact O-N 3.1Å; T205-L209 VanDerWaalsContact O-N 3.16Å; D206-L209 PolarHBondContact O-N 2.98Å; E207-L209 VanDerWaalsContact C-N 3.29Å; E207-L209 PolarHBondContact O-N 3.27Å; L209-K215 WeakPolarHBondContact O-CE 3.17Å; L209-F218 HydrophobicContact CD2-CE1 4.19Å
210	Y	95.8	Very high	97	Very high	121 Å²	121	33.9 Å²	33.9	48%	0.475	17%	0.167	S	C	.	.	H	α-helix	trans	-86.3	-26.7	174.6	-169.2	-94.8	0	0	0	113.1	Y18 D206 E207 I208	Y18-Y210 WeakPolarHBondContact CE1-O 3.46Å; D206-Y210 WeakPolarHBondContact O-CB 3.33Å; D206-Y210 PolarHBondContact O-N 2.78Å; E207-Y210 PolarHBondContact O-N 2.79Å; I208-Y210 VanDerWaalsContact C-N 3.29Å; I208-Y210 PolarHBondContact O-N 2.7Å
211	L	97.1	Very high	97.3	Very high	18 Å²	18	32.5 Å²	32.5	9%	0.094	16%	0.16	C	C	.	.	S	Bend	trans	-93.5	6.6	-174.8	-67.3	168.8	0	0	0	114.5	Y18 E207 I208 Q256 L285 K286 P316	Y18-L211 WeakPolarHBondContact CD1-O 3.37Å; E207-L211 HydrophobicContact CB-CD1 4.27Å; E207-L211 VanDerWaalsContact O-CB 3.28Å; E207-L211 WeakPolarHBondContact O-CB 3.31Å; E207-L211 WeakPolarHBondContact O-CD1 3.33Å; E207-L211 WeakPolarHBondContact O-CG 3.35Å; E207-L211 PolarHBondContact O-N 3.31Å; I208-L211 PolarHBondContact O-N 3.32Å; L211-Q256 WeakPolarHBondContact O-CG 3.39Å; L211-Q256 PolarHBondContact O-NE2 3.05Å; L211-L285 HydrophobicContact CD1-CB 3.93Å; L211-K286 HydrophobicContact CD1-CB 4.16Å; L211-K286 HydrophobicContact CD1-CD 3.93Å; L211-K286 HydrophobicContact CD1-CG 4.02Å; L211-K286 HydrophobicContact CD2-CB 4.02Å; L211-P316 HydrophobicContact CD1-CB 3.55Å; L211-P316 HydrophobicContact CD1-CG 4.16Å
212	V	97.9	Very high	97.6	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.03	15%	0.15	C	C	.	.			trans	-107.8	140.8	171.8	-66.6	0	0	0	0	112.2	Y18 I208 K215 F218 A252 C255	Y18-V212 WeakPolarHBondContact CE1-O 3.15Å; I208-V212 PolarHBondContact O-N 2.78Å; V212-K215 HydrophobicContact CG2-CG 4.17Å; V212-F218 HydrophobicContact CB-CB 4.37Å; V212-F218 HydrophobicContact CB-CG 4.46Å; V212-F218 HydrophobicContact CG1-CB 4.35Å; V212-F218 HydrophobicContact CG1-CD2 3.77Å; V212-F218 HydrophobicContact CG1-CE2 4.28Å; V212-F218 HydrophobicContact CG1-CG 4.04Å; V212-F218 HydrophobicContact CG2-CB 4.29Å; V212-F218 HydrophobicContact CG2-CD1 4.44Å; V212-F218 HydrophobicContact CG2-CG 4.25Å; V212-A252 HydrophobicContact CG1-CB 3.58Å; V212-C255 HydrophobicContact CG1-CB 4.37Å
213	P	97.3	Very high	97.7	Very high	38 Å²	38	32.8 Å²	32.8	25%	0.247	15%	0.154	C	C	.	.	S	Bend	trans	-75.4	-31.6	-178	27.2	-32.8	0	0	0	113.8	Y18 C255 P259	Y18-P213 HydrophobicContact CD2-CB 3.96Å; Y18-P213 HydrophobicContact CE2-CB 3.87Å; Y18-P213 HydrophobicContact CG-CB 4.43Å; P213-C255 HydrophobicContact CG-CB 4.43Å; P213-C255 WeakPolarHBondContact CG-O 3.45Å; P213-P259 HydrophobicContact CB-CB 3.77Å; P213-P259 HydrophobicContact CG-CB 3.62Å
214	N	97.9	Very high	97.8	Very high	65 Å²	65	32.7 Å²	32.7	35%	0.348	15%	0.153	S	C	.	.			trans	-137.3	118	176.4	-176.5	-52.5	0	0	0	109.8	E216 N217 F218	N214-E216 PolarHBondContact OD1-N 2.79Å; N214-N217 HydrophobicContact CB-CB 4.23Å; N214-N217 PolarHBondContact OD1-N 2.87Å; N214-F218 VanDerWaalsContact O-CB 3.29Å; N214-F218 WeakPolarHBondContact O-CB 3.41Å; N214-F218 PolarHBondContact O-N 2.91Å
215	K	98.1	Very high	97.9	Very high	101 Å²	101	32.2 Å²	32.2	44%	0.439	15%	0.151	S	C	.	.	H	α-helix	trans	-71.4	-35.2	-174.8	-70	179.4	175.6	179.6	0	113.3	L209 V212 R219	L209-K215 WeakPolarHBondContact O-CE 3.17Å; V212-K215 HydrophobicContact CG2-CG 4.17Å; K215-R219 WeakPolarHBondContact O-CB 3.27Å; K215-R219 WeakPolarHBondContact O-CD 3.39Å; K215-R219 WeakPolarHBondContact O-CG 3.06Å; K215-R219 PolarHBondContact O-N 2.93Å
216	E	98.1	Very high	97.9	Very high	107 Å²	107	33.1 Å²	33.1	50%	0.5	15%	0.154	S	C	.	.	H	α-helix	trans	-78.1	-40.8	-176.1	-56	-39.7	117.5	0	0	112	N214 F218 R219 L220	N214-E216 PolarHBondContact OD1-N 2.79Å; E216-F218 VanDerWaalsContact C-N 3.32Å; E216-F218 PolarHBondContact O-N 2.85Å; E216-R219 PolarHBondContact O-N 3.15Å; E216-R219 IonicContact OE1-CZ 2.69Å; E216-R219 IonicContact OE1-NH1 2.74Å; E216-R219 PolarHBondContact OE1-NH1 3.38Å; E216-R219 WeakPolarHBondContact OE2-CD 3.41Å; E216-R219 IonicContact OE2-NH1 2.86Å; E216-L220 WeakPolarHBondContact O-CB 3.4Å; E216-L220 PolarHBondContact O-N 2.86Å
217	N	98.5	Very high	98	Very high	30 Å²	30	32.1 Å²	32.1	16%	0.16	15%	0.148	C	C	.	.	H	α-helix	trans	-61	-43.3	170.4	-75.1	-19	0	0	0	110.9	N214 T221 A261 L266	N214-N217 HydrophobicContact CB-CB 4.23Å; N214-N217 PolarHBondContact OD1-N 2.87Å; N217-T221 WeakPolarHBondContact O-CB 2.91Å; N217-T221 PolarHBondContact O-N 2.91Å; N217-T221 PolarHBondContact O-OG1 3.37Å; N217-A261 PolarHBondContact ND2-O 3.12Å; N217-L266 HydrophobicContact CB-CD1 3.83Å
218	F	98.8	Very high	98.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-57.7	-50.5	172.6	162.7	-99.2	0	0	0	112.4	L103 I208 L209 V212 N214 E216 L220 T221 L222 A248 V251 A252	L103-F218 HydrophobicContact CD2-CE1 4.09Å; L103-F218 HydrophobicContact CD2-CZ 4.19Å; I208-F218 HydrophobicContact CG2-CE1 4.36Å; I208-F218 HydrophobicContact CG2-CE2 4.07Å; I208-F218 HydrophobicContact CG2-CZ 3.62Å; L209-F218 HydrophobicContact CD2-CE1 4.19Å; V212-F218 HydrophobicContact CB-CB 4.37Å; V212-F218 HydrophobicContact CB-CG 4.46Å; V212-F218 HydrophobicContact CG1-CB 4.35Å; V212-F218 HydrophobicContact CG1-CD2 3.77Å; V212-F218 HydrophobicContact CG1-CE2 4.28Å; V212-F218 HydrophobicContact CG1-CG 4.04Å; V212-F218 HydrophobicContact CG2-CB 4.29Å; V212-F218 HydrophobicContact CG2-CD1 4.44Å; V212-F218 HydrophobicContact CG2-CG 4.25Å; N214-F218 VanDerWaalsContact O-CB 3.29Å; N214-F218 WeakPolarHBondContact O-CB 3.41Å; N214-F218 PolarHBondContact O-N 2.91Å; E216-F218 VanDerWaalsContact C-N 3.32Å; E216-F218 PolarHBondContact O-N 2.85Å; F218-L220 PolarHBondContact O-N 3.41Å; F218-T221 PolarHBondContact O-N 3.45Å; F218-L222 HydrophobicContact CE1-CD2 4.09Å; F218-L222 HydrophobicContact CE2-CD2 4.02Å; F218-L222 HydrophobicContact CZ-CD2 3.52Å; F218-L222 VanDerWaalsContact O-CB 3.24Å; F218-L222 WeakPolarHBondContact O-CB 3.49Å; F218-L222 PolarHBondContact O-N 3.05Å; F218-A248 HydrophobicContact CZ-CB 4.44Å; F218-V251 HydrophobicContact CD2-CG1 3.87Å; F218-V251 HydrophobicContact CE2-CB 4.4Å; F218-V251 HydrophobicContact CE2-CG1 4.2Å; F218-A252 HydrophobicContact CD2-CB 4.28Å; F218-A252 HydrophobicContact CE2-CB 3.9Å
219	R	98.8	Very high	98.2	Very high	62 Å²	62	31.3 Å²	31.3	23%	0.234	15%	0.145	C	C	.	.	H	α-helix	trans	-58.4	-48.3	179.3	-80.5	162.4	169.6	172.9	-11.1	112	L103 V105 K215 E216 L222 R223	L103-R219 WeakPolarHBondContact O-CG 3.41Å; L103-R219 PolarHBondContact O-NE 2.83Å; V105-R219 HydrophobicContact CG1-CB 4.08Å; V105-R219 HydrophobicContact CG1-CG 4Å; K215-R219 WeakPolarHBondContact O-CB 3.27Å; K215-R219 WeakPolarHBondContact O-CD 3.39Å; K215-R219 WeakPolarHBondContact O-CG 3.06Å; K215-R219 PolarHBondContact O-N 2.93Å; E216-R219 PolarHBondContact O-N 3.15Å; E216-R219 IonicContact OE1-CZ 2.69Å; E216-R219 IonicContact OE1-NH1 2.74Å; E216-R219 PolarHBondContact OE1-NH1 3.38Å; E216-R219 WeakPolarHBondContact OE2-CD 3.41Å; E216-R219 IonicContact OE2-NH1 2.86Å; R219-L222 PolarHBondContact O-N 3.34Å; R219-R223 WeakPolarHBondContact O-CG 3.45Å; R219-R223 PolarHBondContact O-N 2.93Å
220	L	98.6	Very high	98.1	Very high	27 Å²	27	34.5 Å²	34.5	14%	0.141	16%	0.158	C	C	.	.	H	α-helix	trans	-67.9	-41.8	-177.4	-176.6	59.3	0	0	0	112.1	T37 C41 M44 F50 E216 F218 R223 A224 A263	T37-L220 HydrophobicContact CG2-CD2 3.72Å; C41-L220 VanDerWaalsContact SG-CD2 3.59Å; M44-L220 HydrophobicContact CE-CD1 3.55Å; F50-L220 HydrophobicContact CE1-CD1 4.25Å; F50-L220 HydrophobicContact CZ-CD1 3.92Å; E216-L220 WeakPolarHBondContact O-CB 3.4Å; E216-L220 PolarHBondContact O-N 2.86Å; F218-L220 PolarHBondContact O-N 3.41Å; L220-R223 PolarHBondContact O-N 2.74Å; L220-A224 PolarHBondContact O-N 3.14Å; L220-A263 HydrophobicContact CB-CB 3.82Å; L220-A263 HydrophobicContact CD2-CB 3.55Å; L220-A263 HydrophobicContact CG-CB 3.59Å
221	T	98.9	Very high	98.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.5	-40.5	171.5	-65.5	0	0	0	0	111.6	N217 F218 A224 I225 V251 A263 L266 V267	N217-T221 WeakPolarHBondContact O-CB 2.91Å; N217-T221 PolarHBondContact O-N 2.91Å; N217-T221 PolarHBondContact O-OG1 3.37Å; F218-T221 PolarHBondContact O-N 3.45Å; T221-A224 WeakPolarHBondContact O-CB 3.3Å; T221-A224 PolarHBondContact O-N 3.11Å; T221-I225 HydrophobicContact CG2-CG1 4.21Å; T221-I225 WeakPolarHBondContact O-CG1 3.46Å; T221-I225 PolarHBondContact O-N 3.06Å; T221-V251 HydrophobicContact CG2-CG1 3.55Å; T221-V251 HydrophobicContact CG2-CG2 4.25Å; T221-A263 VanDerWaalsContact OG1-CA 3.31Å; T221-A263 WeakPolarHBondContact OG1-CA 3.43Å; T221-A263 WeakPolarHBondContact OG1-CB 3.31Å; T221-A263 PolarHBondContact OG1-O 2.83Å; T221-L266 HydrophobicContact CG2-CB 4.04Å; T221-L266 VanDerWaalsContact OG1-CB 3.29Å; T221-L266 WeakPolarHBondContact OG1-CB 3.42Å; T221-V267 HydrophobicContact CG2-CG2 3.83Å
222	L	98.9	Very high	98.1	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-70	-35	-179.9	-178	55.7	0	0	0	112.5	L103 V105 F218 R219 A224 I225 K226 W247 A248 V251	L103-L222 HydrophobicContact CD1-CD2 4.16Å; V105-L222 HydrophobicContact CB-CD2 4.42Å; V105-L222 HydrophobicContact CB-CG 4.41Å; V105-L222 HydrophobicContact CG1-CB 4.19Å; V105-L222 HydrophobicContact CG1-CD2 4.07Å; V105-L222 HydrophobicContact CG1-CG 4.2Å; V105-L222 HydrophobicContact CG2-CD2 3.82Å; V105-L222 HydrophobicContact CG2-CG 4.15Å; F218-L222 HydrophobicContact CE1-CD2 4.09Å; F218-L222 HydrophobicContact CE2-CD2 4.02Å; F218-L222 HydrophobicContact CZ-CD2 3.52Å; F218-L222 VanDerWaalsContact O-CB 3.24Å; F218-L222 WeakPolarHBondContact O-CB 3.49Å; F218-L222 PolarHBondContact O-N 3.05Å; R219-L222 PolarHBondContact O-N 3.34Å; L222-A224 VanDerWaalsContact C-N 3.35Å; L222-I225 PolarHBondContact O-N 2.9Å; L222-K226 HydrophobicContact CD1-CD 4.37Å; L222-K226 HydrophobicContact CD1-CG 4.03Å; L222-K226 HydrophobicContact CG-CD 4.3Å; L222-K226 HydrophobicContact CG-CG 4.41Å; L222-K226 VanDerWaalsContact O-CB 3.32Å; L222-K226 WeakPolarHBondContact O-CB 3.45Å; L222-K226 VanDerWaalsContact O-CG 3.32Å; L222-K226 WeakPolarHBondContact O-CG 3.35Å; L222-K226 PolarHBondContact O-N 2.94Å; L222-W247 HydrophobicContact CD1-CB 4.27Å; L222-A248 HydrophobicContact CD1-CB 4.3Å; L222-A248 HydrophobicContact CD2-CB 3.63Å; L222-V251 HydrophobicContact CB-CB 4.43Å; L222-V251 HydrophobicContact CB-CG1 4.1Å; L222-V251 HydrophobicContact CB-CG2 4.48Å; L222-V251 HydrophobicContact CD1-CB 4.3Å; L222-V251 HydrophobicContact CD1-CG2 3.99Å
223	R	98.7	Very high	98	Very high	30 Å²	30	33.9 Å²	33.9	11%	0.113	16%	0.158	C	C	.	.	H	α-helix	trans	-58.6	-46.1	168.6	-73.4	177.2	-176.4	-83	-0.4	110.8	V49 G104 V105 H106 R219 L220 L227	V49-R223 PolarHBondContact O-NH1 2.76Å; G104-R223 VanDerWaalsContact C-NH2 3.3Å; G104-R223 PolarHBondContact O-NE 2.72Å; G104-R223 PolarHBondContact O-NH2 3.13Å; V105-R223 HydrophobicContact CB-CG 4.1Å; V105-R223 HydrophobicContact CG1-CG 4.21Å; H106-R223 PolarHBondContact O-NH1 2.71Å; R219-R223 WeakPolarHBondContact O-CG 3.45Å; R219-R223 PolarHBondContact O-N 2.93Å; L220-R223 PolarHBondContact O-N 2.74Å; R223-L227 WeakPolarHBondContact O-CB 2.95Å; R223-L227 PolarHBondContact O-N 3.5Å
224	A	98.8	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.3	-44.7	176.9	0	0	0	0	0	113.5	L40 M44 L220 T221 L222 L227 W228 V267	L40-A224 HydrophobicContact CD1-CB 4.07Å; L40-A224 HydrophobicContact CD2-CB 4.36Å; M44-A224 HydrophobicContact CE-CB 4.32Å; M44-A224 WeakPolarHBondContact SD-CA 3.49Å; M44-A224 HydrophobicContact SD-CB 3.58Å; M44-A224 VanDerWaalsContact SD-CB 3.58Å; L220-A224 PolarHBondContact O-N 3.14Å; T221-A224 WeakPolarHBondContact O-CB 3.3Å; T221-A224 PolarHBondContact O-N 3.11Å; L222-A224 VanDerWaalsContact C-N 3.35Å; A224-L227 PolarHBondContact O-N 3.2Å; A224-W228 WeakPolarHBondContact O-CB 3.35Å; A224-W228 PolarHBondContact O-N 2.88Å; A224-V267 HydrophobicContact CB-CG2 3.77Å
225	I	98.9	Very high	98	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-71	-37	179.4	-66	-53	0	0	0	111.9	T221 L222 W228 A229 W247 V251 V267 F270 F271	T221-I225 HydrophobicContact CG2-CG1 4.21Å; T221-I225 WeakPolarHBondContact O-CG1 3.46Å; T221-I225 PolarHBondContact O-N 3.06Å; L222-I225 PolarHBondContact O-N 2.9Å; I225-W228 HydrophobicContact CG2-CE3 4.31Å; I225-W228 PolarHBondContact O-N 3.32Å; I225-A229 VanDerWaalsContact O-CB 3.3Å; I225-A229 WeakPolarHBondContact O-CB 3.08Å; I225-A229 PolarHBondContact O-N 3.1Å; I225-W247 HydrophobicContact CG2-CD2 4.34Å; I225-W247 HydrophobicContact CG2-CE3 3.84Å; I225-W247 HydrophobicContact CG2-CZ3 4.47Å; I225-V251 HydrophobicContact CB-CG2 3.9Å; I225-V251 HydrophobicContact CG1-CG2 3.82Å; I225-V251 HydrophobicContact CG2-CG2 4.02Å; I225-V267 HydrophobicContact CD1-CG1 4.24Å; I225-F270 HydrophobicContact CD1-CD1 3.49Å; I225-F270 VanDerWaalsContact CD1-CD1 3.49Å; I225-F270 HydrophobicContact CD1-CD2 4.49Å; I225-F270 HydrophobicContact CD1-CE1 3.67Å; I225-F270 HydrophobicContact CD1-CG 3.95Å; I225-F270 HydrophobicContact CD1-CZ 4.24Å; I225-F270 HydrophobicContact CG1-CD1 4.1Å; I225-F270 HydrophobicContact CG1-CD2 4.22Å; I225-F270 HydrophobicContact CG1-CE1 4.14Å; I225-F270 HydrophobicContact CG1-CE2 4.23Å; I225-F270 HydrophobicContact CG1-CG 4.16Å; I225-F270 HydrophobicContact CG1-CZ 4.21Å; I225-F270 HydrophobicContact CG2-CE1 3.94Å; I225-F270 HydrophobicContact CG2-CE2 3.92Å; I225-F270 HydrophobicContact CG2-CZ 3.49Å; I225-F270 VanDerWaalsContact CG2-CZ 3.49Å; I225-F271 HydrophobicContact CD1-CE1 4.28Å; I225-F271 HydrophobicContact CD1-CE2 4.34Å; I225-F271 HydrophobicContact CD1-CZ 3.82Å
226	K	98.4	Very high	97.9	Very high	25 Å²	25	27.9 Å²	27.9	11%	0.109	13%	0.126	C	C	.	.	H	α-helix	trans	-62	-45.8	171.6	-77.4	179.5	64.9	-176.3	0	111.4	V105 L222 A229 K230 Y235	V105-K226 HydrophobicContact CG2-CD 4.14Å; V105-K226 PolarHBondContact O-NZ 3.3Å; L222-K226 HydrophobicContact CD1-CD 4.37Å; L222-K226 HydrophobicContact CD1-CG 4.03Å; L222-K226 HydrophobicContact CG-CD 4.3Å; L222-K226 HydrophobicContact CG-CG 4.41Å; L222-K226 VanDerWaalsContact O-CB 3.32Å; L222-K226 WeakPolarHBondContact O-CB 3.45Å; L222-K226 VanDerWaalsContact O-CG 3.32Å; L222-K226 WeakPolarHBondContact O-CG 3.35Å; L222-K226 PolarHBondContact O-N 2.94Å; K226-A229 PolarHBondContact O-N 3.05Å; K226-K230 PolarHBondContact O-N 3.49Å; K226-Y235 HydrophobicContact CG-CE2 4.24Å
227	L	98.2	Very high	97.7	Very high	14 Å²	14	25.3 Å²	25.3	7%	0.073	12%	0.115	C	C	.	.	H	α-helix	trans	-60.3	-50.6	176.3	177.9	60	0	0	0	110.9	M44 F47 V49 R223 A224 A229 K230 R231 F360	M44-L227 HydrophobicContact CG-CD2 3.93Å; F47-L227 HydrophobicContact CB-CD1 3.75Å; F47-L227 HydrophobicContact CB-CD2 3.97Å; F47-L227 HydrophobicContact CD1-CD1 4.04Å; F47-L227 HydrophobicContact CD2-CD2 3.76Å; F47-L227 HydrophobicContact CE2-CD2 4.4Å; F47-L227 HydrophobicContact CG-CD1 3.87Å; F47-L227 HydrophobicContact CG-CD2 3.89Å; V49-L227 HydrophobicContact CG1-CB 4.23Å; V49-L227 HydrophobicContact CG1-CD1 3.98Å; V49-L227 HydrophobicContact CG1-CD2 4.19Å; V49-L227 HydrophobicContact CG1-CG 4.35Å; R223-L227 WeakPolarHBondContact O-CB 2.95Å; R223-L227 PolarHBondContact O-N 3.5Å; A224-L227 PolarHBondContact O-N 3.2Å; L227-A229 PolarHBondContact O-N 3.12Å; L227-K230 PolarHBondContact O-N 2.69Å; L227-R231 HydrophobicContact CD1-CG 3.76Å; L227-R231 HydrophobicContact CG-CG 4.26Å; L227-R231 VanDerWaalsContact O-CB 3.31Å; L227-R231 WeakPolarHBondContact O-CB 3.4Å; L227-R231 WeakPolarHBondContact O-CG 3.4Å; L227-R231 PolarHBondContact O-N 3.13Å; L227-F360 HydrophobicContact CB-CD1 4.4Å; L227-F360 HydrophobicContact CB-CE1 4.33Å; L227-F360 HydrophobicContact CD2-CD1 3.74Å; L227-F360 HydrophobicContact CD2-CD2 4Å; L227-F360 HydrophobicContact CD2-CE1 3.86Å; L227-F360 HydrophobicContact CD2-CE2 4.11Å; L227-F360 HydrophobicContact CD2-CG 3.82Å; L227-F360 HydrophobicContact CD2-CZ 4.04Å; L227-F360 HydrophobicContact CG-CD1 3.78Å; L227-F360 HydrophobicContact CG-CE1 4.1Å; L227-F360 HydrophobicContact CG-CG 4.18Å
228	W	98.6	Very high	97.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-54.2	-52	174.9	169.5	80.6	0	0	0	111.4	A224 I225 K230 R231 R232 I234 W247 F270 F271 E338 F339 F360	A224-W228 WeakPolarHBondContact O-CB 3.35Å; A224-W228 PolarHBondContact O-N 2.88Å; I225-W228 HydrophobicContact CG2-CE3 4.31Å; I225-W228 PolarHBondContact O-N 3.32Å; W228-K230 PolarHBondContact O-N 3.06Å; W228-R231 CarbonylContact O-C 3.32Å; W228-R231 PolarHBondContact O-N 2.69Å; W228-R231 VanDerWaalsContact O-N 3.16Å; W228-R232 HydrophobicContact CD2-CG 4.42Å; W228-R232 HydrophobicContact CG-CG 4.22Å; W228-R232 WeakPolarHBondContact O-CB 3.47Å; W228-R232 VanDerWaalsContact O-CG 3.26Å; W228-R232 WeakPolarHBondContact O-CG 3.23Å; W228-R232 PolarHBondContact O-N 3.03Å; W228-I234 HydrophobicContact CE3-CD1 4.5Å; W228-I234 HydrophobicContact CH2-CD1 3.44Å; W228-I234 VanDerWaalsContact CH2-CD1 3.44Å; W228-I234 HydrophobicContact CZ2-CD1 3.96Å; W228-I234 HydrophobicContact CZ3-CD1 3.77Å; W228-W247 HydrophobicContact CH2-CH2 4.34Å; W228-W247 AromaticContact CZ3-CH2 3.69Å; W228-W247 HydrophobicContact CZ3-CH2 3.69Å; W228-W247 HydrophobicContact CZ3-CZ2 4.42Å; W228-W247 AromaticContact CZ3-CZ3 3.86Å; W228-W247 HydrophobicContact CZ3-CZ3 3.86Å; W228-F270 HydrophobicContact CZ3-CE1 4.22Å; W228-F271 AromaticContact CD2-CE1 3.82Å; W228-F271 HydrophobicContact CD2-CE1 3.82Å; W228-F271 AromaticContact CD2-CZ 3.79Å; W228-F271 HydrophobicContact CD2-CZ 3.79Å; W228-F271 AromaticContact CE2-CE1 3.5Å; W228-F271 AromaticContact CE2-CZ 3.72Å; W228-F271 HydrophobicContact CE3-CE1 4.03Å; W228-F271 HydrophobicContact CE3-CZ 4.28Å; W228-F271 HydrophobicContact CG-CZ 4.07Å; W228-F271 AromaticContact CH2-CE1 3.74Å; W228-F271 HydrophobicContact CH2-CE1 3.74Å; W228-F271 HydrophobicContact CZ2-CD1 4.37Å; W228-F271 AromaticContact CZ2-CE1 3.49Å; W228-F271 HydrophobicContact CZ2-CE1 3.49Å; W228-F271 VanDerWaalsContact CZ2-CE1 3.49Å; W228-F271 HydrophobicContact CZ2-CZ 4.19Å; W228-F271 AromaticContact CZ3-CE1 3.99Å; W228-F271 HydrophobicContact CZ3-CE1 3.99Å; W228-F271 AromaticContact NE1-CZ 3.85Å; W228-E338 HydrophobicContact CH2-CB 4.46Å; W228-E338 HydrophobicContact CZ2-CB 4.01Å; W228-F339 AromaticContact CH2-CD1 3.59Å; W228-F339 HydrophobicContact CH2-CD1 3.59Å; W228-F339 AromaticContact CH2-CE1 3.66Å; W228-F339 HydrophobicContact CH2-CE1 3.66Å; W228-F339 HydrophobicContact CZ2-CD1 4.41Å; W228-F339 HydrophobicContact CZ3-CD1 4.28Å; W228-F339 AromaticContact CZ3-CE1 3.96Å; W228-F339 HydrophobicContact CZ3-CE1 3.96Å; W228-F360 HydrophobicContact CB-CD1 4.33Å; W228-F360 HydrophobicContact CB-CE1 4.28Å
229	A	98.4	Very high	97.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.9	-41.9	-178.1	0	0	0	0	0	113.5	I225 K226 L227 G233 I234 Y235 W247	I225-A229 VanDerWaalsContact O-CB 3.3Å; I225-A229 WeakPolarHBondContact O-CB 3.08Å; I225-A229 PolarHBondContact O-N 3.1Å; K226-A229 PolarHBondContact O-N 3.05Å; L227-A229 PolarHBondContact O-N 3.12Å; A229-G233 PolarHBondContact O-N 2.99Å; A229-I234 HydrophobicContact CB-CG1 4.16Å; A229-I234 PolarHBondContact O-N 2.98Å; A229-Y235 HydrophobicContact CB-CD2 4.01Å; A229-W247 HydrophobicContact CB-CD2 4.2Å; A229-W247 HydrophobicContact CB-CH2 4.4Å; A229-W247 HydrophobicContact CB-CZ2 3.62Å
230	K	96.1	Very high	97.2	Very high	81 Å²	81	23.9 Å²	23.9	35%	0.352	11%	0.112	S	C	.	.	H	α-helix	trans	-57.9	-53.3	170.2	-90.3	-161.6	172.2	-167.6	0	110	K226 L227 W228 R232 G233 Y235 D530	K226-K230 PolarHBondContact O-N 3.49Å; L227-K230 PolarHBondContact O-N 2.69Å; W228-K230 PolarHBondContact O-N 3.06Å; K230-R232 VanDerWaalsContact C-N 3.31Å; K230-R232 PolarHBondContact O-N 3.04Å; K230-G233 PolarHBondContact O-N 3.38Å; K230-G233 VanDerWaalsContact O-N 3.17Å; K230-Y235 HydrophobicContact CG-CD1 4.27Å; K230-Y235 HydrophobicContact CG-CG 4.17Å; K230-D530 IonicContact NZ-OD1 2.71Å; K230-D530 PolarHBondContact NZ-OD1 2.85Å; K230-D530 IonicContact NZ-OD2 3.74Å; K230-D530 PolarHBondContact NZ-OD2 2.65Å
231	R	95.9	Very high	97.2	Very high	96 Å²	96	22.7 Å²	22.7	36%	0.362	11%	0.106	S	C	.	.	H	α-helix	trans	-65.7	-28.3	-175.9	-66.2	-69.2	-70.2	-171.1	-10.7	113.8	L227 W228 F360 P362 P363	L227-R231 HydrophobicContact CD1-CG 3.76Å; L227-R231 HydrophobicContact CG-CG 4.26Å; L227-R231 VanDerWaalsContact O-CB 3.31Å; L227-R231 WeakPolarHBondContact O-CB 3.4Å; L227-R231 WeakPolarHBondContact O-CG 3.4Å; L227-R231 PolarHBondContact O-N 3.13Å; W228-R231 CarbonylContact O-C 3.32Å; W228-R231 PolarHBondContact O-N 2.69Å; W228-R231 VanDerWaalsContact O-N 3.16Å; R231-F360 PolarHBondContact NE-O 3.27Å; R231-F360 PolarHBondContact NH2-O 3.41Å; R231-P362 VanDerWaalsContact O-CA 3.3Å; R231-P362 WeakPolarHBondContact O-CA 3.4Å; R231-P362 WeakPolarHBondContact O-CB 3.36Å; R231-P363 WeakPolarHBondContact O-CD 3.25Å
232	R	96.1	Very high	97.2	Very high	19 Å²	19	22.7 Å²	22.7	7%	0.072	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-0.9	177.3	-60.5	-52.6	-64.9	-165	-8.2	114.4	W228 K230 I234 E338 H341 E361	W228-R232 HydrophobicContact CD2-CG 4.42Å; W228-R232 HydrophobicContact CG-CG 4.22Å; W228-R232 WeakPolarHBondContact O-CB 3.47Å; W228-R232 VanDerWaalsContact O-CG 3.26Å; W228-R232 WeakPolarHBondContact O-CG 3.23Å; W228-R232 PolarHBondContact O-N 3.03Å; K230-R232 VanDerWaalsContact C-N 3.31Å; K230-R232 PolarHBondContact O-N 3.04Å; R232-I234 HydrophobicContact CB-CD1 4.33Å; R232-I234 HydrophobicContact CB-CG1 4.19Å; R232-E338 IonicContact CZ-OE2 3.49Å; R232-E338 IonicContact NE-OE2 3.71Å; R232-E338 PolarHBondContact NE-OE2 2.88Å; R232-E338 IonicContact NH2-OE1 2.66Å; R232-E338 PolarHBondContact NH2-OE1 2.74Å; R232-E338 VanDerWaalsContact NH2-OE1 3.13Å; R232-E338 IonicContact NH2-OE2 2.97Å; R232-E338 PolarHBondContact NH2-OE2 2.8Å; R232-H341 PolarHBondContact NH1-NE2 2.76Å; R232-H341 PolarHBondContact NH2-CD2 3.22Å; R232-E361 WeakPolarHBondContact CD-O 3.44Å; R232-E361 PolarHBondContact NH1-O 3.34Å
233	G	95.6	Very high	97	Very high	15 Å²	15	23.2 Å²	23.2	16%	0.155	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	31.7	176.7	0	0	0	0	0	113.7	A229 K230 P416	A229-G233 PolarHBondContact O-N 2.99Å; K230-G233 PolarHBondContact O-N 3.38Å; K230-G233 VanDerWaalsContact O-N 3.17Å; G233-P416 WeakPolarHBondContact O-CD 3.41Å; G233-P416 VanDerWaalsContact O-CG 3.23Å; G233-P416 WeakPolarHBondContact O-CG 3.42Å
234	I	97.8	Very high	96.9	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.			trans	-127.6	29.4	-176.9	59.7	175	0	0	0	112.2	W228 A229 R232 F241 W247 I334 M335 E338	W228-I234 HydrophobicContact CE3-CD1 4.5Å; W228-I234 HydrophobicContact CH2-CD1 3.44Å; W228-I234 VanDerWaalsContact CH2-CD1 3.44Å; W228-I234 HydrophobicContact CZ2-CD1 3.96Å; W228-I234 HydrophobicContact CZ3-CD1 3.77Å; A229-I234 HydrophobicContact CB-CG1 4.16Å; A229-I234 PolarHBondContact O-N 2.98Å; R232-I234 HydrophobicContact CB-CD1 4.33Å; R232-I234 HydrophobicContact CB-CG1 4.19Å; I234-F241 HydrophobicContact CB-CD1 3.96Å; I234-F241 HydrophobicContact CB-CE1 4.28Å; I234-F241 HydrophobicContact CB-CG 4.38Å; I234-F241 HydrophobicContact CG2-CD1 3.98Å; I234-F241 HydrophobicContact CG2-CE1 3.77Å; I234-F241 HydrophobicContact CG2-CZ 4.34Å; I234-F241 WeakPolarHBondContact O-CB 3.05Å; I234-W247 HydrophobicContact CD1-CH2 4.14Å; I234-W247 HydrophobicContact CD1-CZ2 4.21Å; I234-W247 HydrophobicContact CG1-CZ2 4.18Å; I234-W247 WeakPolarHBondContact O-CZ2 3.42Å; I234-I334 HydrophobicContact CG2-CG2 3.97Å; I234-M335 HydrophobicContact CB-CG 4.18Å; I234-M335 HydrophobicContact CD1-CG 4.45Å; I234-M335 HydrophobicContact CG2-CG 4.23Å; I234-E338 HydrophobicContact CD1-CB 4.03Å; I234-E338 HydrophobicContact CD1-CG 4.48Å; I234-E338 HydrophobicContact CG2-CG 4.49Å
235	Y	97.2	Very high	96.8	Very high	60 Å²	60	26 Å²	26	24%	0.235	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-120.3	87.5	178.7	-168.1	-80	0	0	0	110	K226 A229 K230 G244 W247	K226-Y235 HydrophobicContact CG-CE2 4.24Å; A229-Y235 HydrophobicContact CB-CD2 4.01Å; K230-Y235 HydrophobicContact CG-CD1 4.27Å; K230-Y235 HydrophobicContact CG-CG 4.17Å; Y235-G244 VanDerWaalsContact OH-CA 3.3Å; Y235-G244 WeakPolarHBondContact OH-CA 3.36Å; Y235-W247 AromaticContact CD2-CD1 3.4Å; Y235-W247 VanDerWaalsContact CD2-CD1 3.4Å; Y235-W247 AromaticContact CD2-NE1 3.41Å; Y235-W247 AromaticContact CE2-CD1 3.51Å
236	S	96.6	Very high	96.8	Very high	18 Å²	18	26 Å²	26	13%	0.126	14%	0.137	C	C	.	.			trans	-170.4	114.6	166.9	173.4	0	0	0	0	109.9	I238 L239 F241 L242	S236-I238 VanDerWaalsContact C-N 3.31Å; S236-I238 PolarHBondContact OG-N 2.76Å; S236-L239 PolarHBondContact OG-N 3.39Å; S236-F241 CarbonylContact O-C 3.59Å; S236-F241 VanDerWaalsContact O-CA 3.31Å; S236-F241 WeakPolarHBondContact O-CA 3.38Å; S236-F241 WeakPolarHBondContact O-CB 3.39Å; S236-F241 PolarHBondContact O-N 2.91Å; S236-L242 PolarHBondContact N-O 3.17Å
237	N	95	Very high	96.8	Very high	53 Å²	53	24.8 Å²	24.8	28%	0.283	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-32.9	174.7	177.9	45.9	0	0	0	112.2	L239 G240 F241 N326	N237-L239 VanDerWaalsContact C-N 3.27Å; N237-L239 PolarHBondContact O-N 3.39Å; N237-G240 PolarHBondContact O-N 2.98Å; N237-F241 WeakPolarHBondContact CA-O 3.48Å; N237-N326 WeakPolarHBondContact O-CB 3.06Å; N237-N326 PolarHBondContact O-ND2 3.12Å; N237-N326 PolarHBondContact OD1-ND2 3.18Å
238	I	93.1	Very high	96.8	Very high	59 Å²	59	24.1 Å²	24.1	30%	0.303	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-39	-177.2	-59.2	177	0	0	0	110.6	S236 E393 R397	S236-I238 VanDerWaalsContact C-N 3.31Å; S236-I238 PolarHBondContact OG-N 2.76Å; I238-E393 HydrophobicContact CG2-CG 4.21Å; I238-R397 WeakPolarHBondContact O-CD 3.32Å; I238-R397 PolarHBondContact O-NH1 2.84Å
239	L	95.6	Very high	96.8	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.016	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	7	-179.6	-62.3	176.2	0	0	0	114.2	S236 N237 E393 I396 V414 P416	S236-L239 PolarHBondContact OG-N 3.39Å; N237-L239 VanDerWaalsContact C-N 3.27Å; N237-L239 PolarHBondContact O-N 3.39Å; L239-E393 HydrophobicContact CD2-CG 3.92Å; L239-E393 HydrophobicContact CG-CG 4.26Å; L239-I396 HydrophobicContact CD2-CB 3.71Å; L239-I396 HydrophobicContact CD2-CD1 4.26Å; L239-I396 HydrophobicContact CD2-CG1 4.44Å; L239-I396 HydrophobicContact CD2-CG2 4.07Å; L239-V414 HydrophobicContact CD1-CG1 4.04Å; L239-V414 HydrophobicContact CD2-CG1 4.21Å; L239-P416 HydrophobicContact CD1-CB 3.99Å; L239-P416 HydrophobicContact CD1-CG 4.47Å
240	G	96.2	Very high	96.9	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.01	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	12.1	176.8	0	0	0	0	0	115.9	N237 N326 V327 T331	N237-G240 PolarHBondContact O-N 2.98Å; G240-N326 WeakPolarHBondContact CA-O 3.43Å; G240-V327 WeakPolarHBondContact O-CA 3.45Å; G240-V327 WeakPolarHBondContact O-CG2 3.37Å; G240-T331 WeakPolarHBondContact O-CB 3.32Å; G240-T331 PolarHBondContact O-OG1 2.98Å; G240-T331 VanDerWaalsContact O-OG1 3.12Å
241	F	98.1	Very high	97	Very high	1 Å²	1	20.3 Å²	20.3	0%	0.004	11%	0.112	C	C	.	.	S	Bend	trans	-92.6	-169.7	164.6	-64.4	-71.4	0	0	0	110.8	I234 S236 N237 T331 I334 M335 H413 P416	I234-F241 HydrophobicContact CB-CD1 3.96Å; I234-F241 HydrophobicContact CB-CE1 4.28Å; I234-F241 HydrophobicContact CB-CG 4.38Å; I234-F241 HydrophobicContact CG2-CD1 3.98Å; I234-F241 HydrophobicContact CG2-CE1 3.77Å; I234-F241 HydrophobicContact CG2-CZ 4.34Å; I234-F241 WeakPolarHBondContact O-CB 3.05Å; S236-F241 CarbonylContact O-C 3.59Å; S236-F241 VanDerWaalsContact O-CA 3.31Å; S236-F241 WeakPolarHBondContact O-CA 3.38Å; S236-F241 WeakPolarHBondContact O-CB 3.39Å; S236-F241 PolarHBondContact O-N 2.91Å; N237-F241 WeakPolarHBondContact CA-O 3.48Å; F241-T331 HydrophobicContact CD1-CG2 4.03Å; F241-T331 HydrophobicContact CD2-CG2 4.4Å; F241-T331 HydrophobicContact CE1-CG2 3.83Å; F241-T331 HydrophobicContact CE2-CG2 4.21Å; F241-T331 HydrophobicContact CG-CG2 4.32Å; F241-T331 HydrophobicContact CZ-CG2 3.94Å; F241-I334 HydrophobicContact CE1-CB 4.17Å; F241-I334 HydrophobicContact CE1-CD1 4.33Å; F241-I334 HydrophobicContact CE1-CG2 3.95Å; F241-I334 HydrophobicContact CZ-CD1 4.19Å; F241-I334 HydrophobicContact CZ-CG2 4.32Å; F241-M335 HydrophobicContact CB-SD 4.34Å; F241-M335 HydrophobicContact CD1-CE 4.2Å; F241-M335 HydrophobicContact CD1-CG 3.82Å; F241-M335 HydrophobicContact CD1-SD 3.83Å; F241-M335 HydrophobicContact CE1-CG 4.25Å; F241-H413 AromaticContact CZ-CD2 3.77Å; F241-H413 AromaticContact CZ-NE2 3.81Å; F241-P416 HydrophobicContact CD2-CG 3.99Å; F241-P416 HydrophobicContact CE2-CG 3.98Å
242	L	98.4	Very high	97.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-85.5	135.4	178	-92.9	68.5	0	0	0	112.1	S236 W247 L250 M311 I313 T324 V327 M335	S236-L242 PolarHBondContact N-O 3.17Å; L242-W247 HydrophobicContact CB-CD2 3.89Å; L242-W247 HydrophobicContact CB-CG 4.22Å; L242-W247 HydrophobicContact CB-CH2 4.3Å; L242-W247 HydrophobicContact CB-CZ2 3.62Å; L242-W247 VanDerWaalsContact CB-NE1 3.33Å; L242-W247 HydrophobicContact CD2-CD2 3.8Å; L242-W247 HydrophobicContact CD2-CE3 3.69Å; L242-W247 HydrophobicContact CD2-CG 4.43Å; L242-W247 HydrophobicContact CD2-CH2 4Å; L242-W247 HydrophobicContact CD2-CZ2 4.12Å; L242-W247 HydrophobicContact CD2-CZ3 3.77Å; L242-W247 HydrophobicContact CG-CZ2 4.4Å; L242-W247 PolarHBondContact O-NE1 3.29Å; L242-L250 HydrophobicContact CD2-CD1 3.55Å; L242-L250 HydrophobicContact CD2-CG 4.15Å; L242-M311 HydrophobicContact CD1-CE 3.86Å; L242-M311 HydrophobicContact CD1-SD 4.01Å; L242-I313 HydrophobicContact CD1-CD1 4.39Å; L242-I313 HydrophobicContact CD2-CD1 3.66Å; L242-I313 HydrophobicContact CG-CD1 4.16Å; L242-T324 HydrophobicContact CD1-CG2 3.62Å; L242-T324 HydrophobicContact CG-CG2 3.66Å; L242-V327 HydrophobicContact CD1-CG2 4.4Å; L242-M335 HydrophobicContact CD1-CE 3.8Å; L242-M335 HydrophobicContact CD1-SD 3.53Å; L242-M335 VanDerWaalsContact CD1-SD 3.53Å
243	G	95.7	Very high	97.3	Very high	12 Å²	12	15.2 Å²	15.2	12%	0.124	9%	0.092	C	C	.	.			trans	-86.5	174.5	165.8	0	0	0	0	0	113.2	V245 S246 W247	G243-V245 PolarHBondContact O-N 2.66Å; G243-S246 WeakPolarHBondContact O-CB 3.45Å; G243-S246 PolarHBondContact O-N 3.22Å; G243-S246 VanDerWaalsContact O-N 3.11Å; G243-W247 VanDerWaalsContact O-CD1 3.24Å; G243-W247 PolarHBondContact O-N 3.12Å; G243-W247 VanDerWaalsContact O-N 3.1Å
244	G	95.6	Very high	97.4	Very high	26 Å²	26	14.5 Å²	14.5	27%	0.268	9%	0.085	S	C	.	.	H	α-helix	trans	-56.2	-41.7	-172.8	0	0	0	0	0	115.2	Y235 W247 A248	Y235-G244 VanDerWaalsContact OH-CA 3.3Å; Y235-G244 WeakPolarHBondContact OH-CA 3.36Å; G244-W247 PolarHBondContact O-N 3.06Å; G244-A248 WeakPolarHBondContact O-CB 3.39Å; G244-A248 PolarHBondContact O-N 3.13Å
245	V	97.1	Very high	97.5	Very high	62 Å²	62	14.7 Å²	14.7	38%	0.376	9%	0.086	S	C	.	.	H	α-helix	trans	-66.9	-38	177.6	70.1	0	0	0	0	112.2	V204 I208 G243 A248 M249	V204-V245 HydrophobicContact CG1-CG2 3.69Å; I208-V245 HydrophobicContact CD1-CG2 4.17Å; G243-V245 PolarHBondContact O-N 2.66Å; V245-A248 WeakPolarHBondContact O-CB 3.48Å; V245-A248 PolarHBondContact O-N 3.14Å; V245-M249 HydrophobicContact CG2-CE 4.32Å; V245-M249 WeakPolarHBondContact O-CG 3.42Å; V245-M249 PolarHBondContact O-N 2.74Å
246	S	98.6	Very high	97.5	Very high	1 Å²	1	12 Å²	12	1%	0.007	8%	0.076	C	C	.	.	H	α-helix	trans	-65.3	-42.8	177.3	-47.5	0	0	0	0	110.9	G243 M249 L250 S323	G243-S246 WeakPolarHBondContact O-CB 3.45Å; G243-S246 PolarHBondContact O-N 3.22Å; G243-S246 VanDerWaalsContact O-N 3.11Å; S246-M249 PolarHBondContact O-N 3.08Å; S246-L250 PolarHBondContact O-N 3Å; S246-L250 VanDerWaalsContact O-N 3.08Å; S246-S323 WeakPolarHBondContact OG-CB 3.45Å; S246-S323 PolarHBondContact OG-O 3.46Å; S246-S323 PolarHBondContact OG-OG 3.22Å
247	W	98.8	Very high	97.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.4	-41.1	171.7	-69.8	118.3	0	0	0	112.6	L222 I225 W228 A229 I234 Y235 L242 G243 G244 M249 L250 V251 F270 F339	L222-W247 HydrophobicContact CD1-CB 4.27Å; I225-W247 HydrophobicContact CG2-CD2 4.34Å; I225-W247 HydrophobicContact CG2-CE3 3.84Å; I225-W247 HydrophobicContact CG2-CZ3 4.47Å; W228-W247 HydrophobicContact CH2-CH2 4.34Å; W228-W247 AromaticContact CZ3-CH2 3.69Å; W228-W247 HydrophobicContact CZ3-CH2 3.69Å; W228-W247 HydrophobicContact CZ3-CZ2 4.42Å; W228-W247 AromaticContact CZ3-CZ3 3.86Å; W228-W247 HydrophobicContact CZ3-CZ3 3.86Å; A229-W247 HydrophobicContact CB-CD2 4.2Å; A229-W247 HydrophobicContact CB-CH2 4.4Å; A229-W247 HydrophobicContact CB-CZ2 3.62Å; I234-W247 HydrophobicContact CD1-CH2 4.14Å; I234-W247 HydrophobicContact CD1-CZ2 4.21Å; I234-W247 HydrophobicContact CG1-CZ2 4.18Å; I234-W247 WeakPolarHBondContact O-CZ2 3.42Å; Y235-W247 AromaticContact CD2-CD1 3.4Å; Y235-W247 VanDerWaalsContact CD2-CD1 3.4Å; Y235-W247 AromaticContact CD2-NE1 3.41Å; Y235-W247 AromaticContact CE2-CD1 3.51Å; L242-W247 HydrophobicContact CB-CD2 3.89Å; L242-W247 HydrophobicContact CB-CG 4.22Å; L242-W247 HydrophobicContact CB-CH2 4.3Å; L242-W247 HydrophobicContact CB-CZ2 3.62Å; L242-W247 VanDerWaalsContact CB-NE1 3.33Å; L242-W247 HydrophobicContact CD2-CD2 3.8Å; L242-W247 HydrophobicContact CD2-CE3 3.69Å; L242-W247 HydrophobicContact CD2-CG 4.43Å; L242-W247 HydrophobicContact CD2-CH2 4Å; L242-W247 HydrophobicContact CD2-CZ2 4.12Å; L242-W247 HydrophobicContact CD2-CZ3 3.77Å; L242-W247 HydrophobicContact CG-CZ2 4.4Å; L242-W247 PolarHBondContact O-NE1 3.29Å; G243-W247 VanDerWaalsContact O-CD1 3.24Å; G243-W247 PolarHBondContact O-N 3.12Å; G243-W247 VanDerWaalsContact O-N 3.1Å; G244-W247 PolarHBondContact O-N 3.06Å; W247-M249 VanDerWaalsContact C-N 3.32Å; W247-M249 PolarHBondContact O-N 2.77Å; W247-L250 HydrophobicContact CE3-CD1 4.04Å; W247-L250 HydrophobicContact CZ3-CD1 3.91Å; W247-L250 PolarHBondContact O-N 2.73Å; W247-V251 WeakPolarHBondContact O-CG2 3.21Å; W247-V251 PolarHBondContact O-N 3.13Å; W247-F270 AromaticContact CE3-CZ 3.88Å; W247-F270 HydrophobicContact CE3-CZ 3.88Å; W247-F270 HydrophobicContact CZ3-CE1 4.45Å; W247-F270 AromaticContact CZ3-CZ 3.79Å; W247-F270 HydrophobicContact CZ3-CZ 3.79Å; W247-F339 AromaticContact CH2-CE1 3.99Å; W247-F339 HydrophobicContact CH2-CE1 3.99Å; W247-F339 HydrophobicContact CH2-CZ 4.01Å; W247-F339 AromaticContact CZ3-CE1 3.74Å; W247-F339 HydrophobicContact CZ3-CE1 3.74Å; W247-F339 AromaticContact CZ3-CZ 3.85Å; W247-F339 HydrophobicContact CZ3-CZ 3.85Å
248	A	98.8	Very high	97.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-59.3	-42	175.3	0	0	0	0	0	111.9	L103 I208 F218 L222 G244 V245 V251 A252	L103-A248 HydrophobicContact CD1-CB 3.86Å; I208-A248 HydrophobicContact CD1-CB 4.34Å; F218-A248 HydrophobicContact CZ-CB 4.44Å; L222-A248 HydrophobicContact CD1-CB 4.3Å; L222-A248 HydrophobicContact CD2-CB 3.63Å; G244-A248 WeakPolarHBondContact O-CB 3.39Å; G244-A248 PolarHBondContact O-N 3.13Å; V245-A248 WeakPolarHBondContact O-CB 3.48Å; V245-A248 PolarHBondContact O-N 3.14Å; A248-V251 PolarHBondContact O-N 3.23Å; A248-A252 VanDerWaalsContact O-CB 3.28Å; A248-A252 WeakPolarHBondContact O-CB 3.47Å; A248-A252 PolarHBondContact O-N 3.18Å
249	M	98.8	Very high	98	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-69.5	-38.3	178.2	-66.7	-169.4	-72.3	0	0	113.2	I208 V245 S246 W247 A252 R253 L285 I313 T315 S323	I208-M249 HydrophobicContact CD1-CG 3.62Å; I208-M249 HydrophobicContact CD1-SD 4.46Å; I208-M249 HydrophobicContact CG1-CG 4.09Å; V245-M249 HydrophobicContact CG2-CE 4.32Å; V245-M249 WeakPolarHBondContact O-CG 3.42Å; V245-M249 PolarHBondContact O-N 2.74Å; S246-M249 PolarHBondContact O-N 3.08Å; W247-M249 VanDerWaalsContact C-N 3.32Å; W247-M249 PolarHBondContact O-N 2.77Å; M249-A252 PolarHBondContact O-N 3.29Å; M249-R253 WeakPolarHBondContact O-CB 3.08Å; M249-R253 PolarHBondContact O-N 2.99Å; M249-L285 HydrophobicContact CB-CD1 4.06Å; M249-L285 HydrophobicContact CG-CD1 3.81Å; M249-L285 HydrophobicContact SD-CD1 4.42Å; M249-I313 HydrophobicContact CB-CG2 3.83Å; M249-I313 HydrophobicContact CE-CG2 3.84Å; M249-T315 HydrophobicContact CE-CG2 4.08Å; M249-T315 HydrophobicContact SD-CG2 4.44Å; M249-S323 WeakPolarHBondContact CE-OG 3.21Å
250	L	98.9	Very high	98.1	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.4	-42.5	172.6	-66.8	-166.6	0	0	0	112.2	L242 S246 W247 R253 T254 F270 F274 V283 I313 F339	L242-L250 HydrophobicContact CD2-CD1 3.55Å; L242-L250 HydrophobicContact CD2-CG 4.15Å; S246-L250 PolarHBondContact O-N 3Å; S246-L250 VanDerWaalsContact O-N 3.08Å; W247-L250 HydrophobicContact CE3-CD1 4.04Å; W247-L250 HydrophobicContact CZ3-CD1 3.91Å; W247-L250 PolarHBondContact O-N 2.73Å; L250-R253 PolarHBondContact O-N 3.11Å; L250-T254 PolarHBondContact O-N 2.91Å; L250-T254 VanDerWaalsContact O-N 3.08Å; L250-T254 PolarHBondContact O-OG1 3.44Å; L250-F270 HydrophobicContact CB-CD2 4.47Å; L250-F270 HydrophobicContact CB-CE2 3.57Å; L250-F270 HydrophobicContact CB-CZ 4.24Å; L250-F270 HydrophobicContact CD1-CE2 4.41Å; L250-F270 HydrophobicContact CD1-CZ 4.29Å; L250-F274 HydrophobicContact CB-CD2 4.29Å; L250-F274 HydrophobicContact CB-CE2 3.71Å; L250-F274 HydrophobicContact CB-CZ 3.94Å; L250-F274 HydrophobicContact CD1-CD2 4.34Å; L250-F274 HydrophobicContact CD1-CE2 4.5Å; L250-F274 HydrophobicContact CD1-CG 4.45Å; L250-F274 HydrophobicContact CD2-CD1 4.17Å; L250-F274 HydrophobicContact CD2-CE1 3.71Å; L250-F274 HydrophobicContact CD2-CE2 4.24Å; L250-F274 HydrophobicContact CD2-CZ 3.76Å; L250-F274 HydrophobicContact CG-CE2 4.36Å; L250-F274 HydrophobicContact CG-CZ 4.34Å; L250-F274 VanDerWaalsContact O-CE2 3.31Å; L250-F274 WeakPolarHBondContact O-CE2 3.44Å; L250-F274 WeakPolarHBondContact O-CZ 3.43Å; L250-V283 HydrophobicContact CD2-CB 4.26Å; L250-V283 HydrophobicContact CD2-CG1 4.06Å; L250-V283 HydrophobicContact CD2-CG2 3.85Å; L250-I313 HydrophobicContact CD1-CD1 4.11Å; L250-I313 HydrophobicContact CD2-CD1 3.53Å; L250-I313 HydrophobicContact CD2-CG1 4Å; L250-I313 HydrophobicContact CD2-CG2 4.33Å; L250-I313 HydrophobicContact CG-CD1 3.79Å; L250-F339 HydrophobicContact CD1-CZ 4.22Å
251	V	98.9	Very high	98.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-68.4	-43	177.1	174.5	0	0	0	0	111.2	F218 T221 L222 I225 W247 A248 R253 T254 C255 F270	F218-V251 HydrophobicContact CD2-CG1 3.87Å; F218-V251 HydrophobicContact CE2-CB 4.4Å; F218-V251 HydrophobicContact CE2-CG1 4.2Å; T221-V251 HydrophobicContact CG2-CG1 3.55Å; T221-V251 HydrophobicContact CG2-CG2 4.25Å; L222-V251 HydrophobicContact CB-CB 4.43Å; L222-V251 HydrophobicContact CB-CG1 4.1Å; L222-V251 HydrophobicContact CB-CG2 4.48Å; L222-V251 HydrophobicContact CD1-CB 4.3Å; L222-V251 HydrophobicContact CD1-CG2 3.99Å; I225-V251 HydrophobicContact CB-CG2 3.9Å; I225-V251 HydrophobicContact CG1-CG2 3.82Å; I225-V251 HydrophobicContact CG2-CG2 4.02Å; W247-V251 WeakPolarHBondContact O-CG2 3.21Å; W247-V251 PolarHBondContact O-N 3.13Å; A248-V251 PolarHBondContact O-N 3.23Å; V251-R253 VanDerWaalsContact C-N 3.33Å; V251-R253 PolarHBondContact O-N 2.82Å; V251-T254 WeakPolarHBondContact O-CB 3.15Å; V251-T254 PolarHBondContact O-N 3.21Å; V251-T254 VanDerWaalsContact O-N 3.1Å; V251-C255 PolarHBondContact O-N 2.62Å; V251-C255 PolarHBondContact O-SG 3.04Å; V251-F270 HydrophobicContact CG2-CD2 3.82Å; V251-F270 HydrophobicContact CG2-CE2 3.68Å
252	A	98.8	Very high	98.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-57.4	-45.7	174.8	0	0	0	0	0	111.4	I208 V212 F218 A248 M249 T254 C255 Q256 L285	I208-A252 HydrophobicContact CG2-CB 4.19Å; V212-A252 HydrophobicContact CG1-CB 3.58Å; F218-A252 HydrophobicContact CD2-CB 4.28Å; F218-A252 HydrophobicContact CE2-CB 3.9Å; A248-A252 VanDerWaalsContact O-CB 3.28Å; A248-A252 WeakPolarHBondContact O-CB 3.47Å; A248-A252 PolarHBondContact O-N 3.18Å; M249-A252 PolarHBondContact O-N 3.29Å; A252-T254 VanDerWaalsContact C-N 3.28Å; A252-T254 PolarHBondContact O-N 3.3Å; A252-C255 WeakPolarHBondContact O-CB 3.39Å; A252-C255 PolarHBondContact O-N 2.7Å; A252-C255 VanDerWaalsContact O-N 3.07Å; A252-Q256 WeakPolarHBondContact O-CG 3.24Å; A252-Q256 PolarHBondContact O-N 3.01Å; A252-L285 HydrophobicContact CB-CD1 4.02Å; A252-L285 HydrophobicContact CB-CD2 3.82Å
253	R	98.8	Very high	98.2	Very high	8 Å²	8	13.1 Å²	13.1	3%	0.03	8%	0.082	C	C	.	.	H	α-helix	trans	-61.1	-37.1	176.2	-173.2	60.8	178.2	136	7.3	112.3	T21 M249 L250 V251 Q256 L257 F274 V283 L284 L285	T21-R253 PolarHBondContact OG1-NH2 3.12Å; M249-R253 WeakPolarHBondContact O-CB 3.08Å; M249-R253 PolarHBondContact O-N 2.99Å; L250-R253 PolarHBondContact O-N 3.11Å; V251-R253 VanDerWaalsContact C-N 3.33Å; V251-R253 PolarHBondContact O-N 2.82Å; R253-Q256 VanDerWaalsContact CD-OE1 3.29Å; R253-Q256 PolarHBondContact O-N 2.73Å; R253-L257 HydrophobicContact CG-CD1 4.42Å; R253-L257 WeakPolarHBondContact O-CG 3.29Å; R253-L257 PolarHBondContact O-N 3.34Å; R253-F274 HydrophobicContact CB-CZ 4.46Å; R253-V283 HydrophobicContact CB-CG1 3.97Å; R253-V283 HydrophobicContact CG-CG1 4Å; R253-L284 WeakPolarHBondContact CD-O 3.5Å; R253-L285 HydrophobicContact CB-CD2 3.79Å
254	T	98.9	Very high	98.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.8	-43	173.7	-53	0	0	0	0	111.5	L250 V251 A252 Q256 L257 Y258 L266 K269 F270 F274	L250-T254 PolarHBondContact O-N 2.91Å; L250-T254 VanDerWaalsContact O-N 3.08Å; L250-T254 PolarHBondContact O-OG1 3.44Å; V251-T254 WeakPolarHBondContact O-CB 3.15Å; V251-T254 PolarHBondContact O-N 3.21Å; V251-T254 VanDerWaalsContact O-N 3.1Å; A252-T254 VanDerWaalsContact C-N 3.28Å; A252-T254 PolarHBondContact O-N 3.3Å; T254-Q256 VanDerWaalsContact C-N 3.34Å; T254-Q256 PolarHBondContact O-N 2.8Å; T254-L257 PolarHBondContact O-N 3.33Å; T254-Y258 HydrophobicContact CG2-CD2 4.43Å; T254-Y258 PolarHBondContact O-N 3.21Å; T254-L266 HydrophobicContact CG2-CD2 4.16Å; T254-K269 HydrophobicContact CG2-CB 4.17Å; T254-F270 HydrophobicContact CG2-CB 4.06Å; T254-F274 WeakPolarHBondContact OG1-CE2 3.44Å
255	C	98.7	Very high	98.5	Very high	3 Å²	3	12.5 Å²	12.5	2%	0.02	7%	0.071	C	C	.	.	H	α-helix	trans	-63.5	-37.6	177.4	-59.5	0	0	0	0	112.1	V212 P213 V251 A252 L257 Y258 P259	V212-C255 HydrophobicContact CG1-CB 4.37Å; P213-C255 HydrophobicContact CG-CB 4.43Å; P213-C255 WeakPolarHBondContact CG-O 3.45Å; V251-C255 PolarHBondContact O-N 2.62Å; V251-C255 PolarHBondContact O-SG 3.04Å; A252-C255 WeakPolarHBondContact O-CB 3.39Å; A252-C255 PolarHBondContact O-N 2.7Å; A252-C255 VanDerWaalsContact O-N 3.07Å; C255-L257 VanDerWaalsContact C-N 3.31Å; C255-L257 PolarHBondContact O-N 3.4Å; C255-Y258 CarbonylContact O-C 3.53Å; C255-Y258 VanDerWaalsContact O-C 3.29Å; C255-Y258 PolarHBondContact O-N 2.9Å; C255-P259 VanDerWaalsContact O-CA 3.28Å; C255-P259 WeakPolarHBondContact O-CA 3.42Å
256	Q	98.6	Very high	98.6	Very high	4 Å²	4	9.7 Å²	9.7	2%	0.019	5%	0.053	C	C	.	.	H	α-helix	trans	-61.5	-37.5	173.9	-64.7	-178.3	-18.5	0	0	112.9	G19 L211 A252 R253 T254 Y258 L285	G19-Q256 VanDerWaalsContact CA-CD 3.41Å; L211-Q256 WeakPolarHBondContact O-CG 3.39Å; L211-Q256 PolarHBondContact O-NE2 3.05Å; A252-Q256 WeakPolarHBondContact O-CG 3.24Å; A252-Q256 PolarHBondContact O-N 3.01Å; R253-Q256 VanDerWaalsContact CD-OE1 3.29Å; R253-Q256 PolarHBondContact O-N 2.73Å; T254-Q256 VanDerWaalsContact C-N 3.34Å; T254-Q256 PolarHBondContact O-N 2.8Å; Q256-Y258 VanDerWaalsContact C-N 3.33Å; Q256-L285 PolarHBondContact NE2-O 2.89Å
257	L	98.6	Very high	98.6	Very high	9 Å²	9	9.6 Å²	9.6	5%	0.047	5%	0.053	C	C	.	.	H	α-helix	trans	-77.8	-17.8	-178.4	-64.3	168.5	0	0	0	113.2	I24 S25 R253 T254 C255 V273	I24-L257 HydrophobicContact CD1-CB 4.09Å; I24-L257 HydrophobicContact CD1-CD1 4.11Å; I24-L257 HydrophobicContact CD1-CD2 4.08Å; I24-L257 HydrophobicContact CD1-CG 4.31Å; I24-L257 HydrophobicContact CG1-CB 4.25Å; I24-L257 HydrophobicContact CG1-CD2 4.03Å; I24-L257 PolarHBondContact N-O 3.08Å; S25-L257 PolarHBondContact N-O 3.06Å; R253-L257 HydrophobicContact CG-CD1 4.42Å; R253-L257 WeakPolarHBondContact O-CG 3.29Å; R253-L257 PolarHBondContact O-N 3.34Å; T254-L257 PolarHBondContact O-N 3.33Å; C255-L257 VanDerWaalsContact C-N 3.31Å; C255-L257 PolarHBondContact O-N 3.4Å; L257-V273 HydrophobicContact CD1-CG1 4.31Å; L257-V273 HydrophobicContact CD1-CG2 4.19Å
258	Y	98.4	Very high	98.6	Very high	24 Å²	24	10.1 Å²	10.1	9%	0.094	6%	0.055	C	C	.	.	S	Bend	trans	-140.8	63.2	-177.7	-61.4	-82.9	0	0	0	111.1	I24 T254 C255 Q256 N260 A261 K269 V273	I24-Y258 HydrophobicContact CB-CE1 4.01Å; I24-Y258 HydrophobicContact CB-CE2 4.45Å; I24-Y258 HydrophobicContact CD1-CE2 4.19Å; I24-Y258 HydrophobicContact CG2-CE1 4.01Å; I24-Y258 WeakPolarHBondContact CG2-OH 3.43Å; T254-Y258 HydrophobicContact CG2-CD2 4.43Å; T254-Y258 PolarHBondContact O-N 3.21Å; C255-Y258 CarbonylContact O-C 3.53Å; C255-Y258 VanDerWaalsContact O-C 3.29Å; C255-Y258 PolarHBondContact O-N 2.9Å; Q256-Y258 VanDerWaalsContact C-N 3.33Å; Y258-N260 VanDerWaalsContact C-N 3.27Å; Y258-N260 PolarHBondContact O-N 3.1Å; Y258-N260 VanDerWaalsContact O-N 3.13Å; Y258-A261 WeakPolarHBondContact O-CB 3.3Å; Y258-A261 PolarHBondContact O-N 3.19Å; Y258-A261 VanDerWaalsContact O-N 3.08Å; Y258-K269 HydrophobicContact CD1-CG 4.18Å; Y258-K269 HydrophobicContact CD2-CB 3.78Å; Y258-K269 HydrophobicContact CD2-CG 4.04Å; Y258-K269 HydrophobicContact CE1-CD 4.01Å; Y258-K269 HydrophobicContact CE1-CG 4Å; Y258-K269 HydrophobicContact CE2-CB 3.63Å; Y258-K269 HydrophobicContact CE2-CD 4.21Å; Y258-K269 HydrophobicContact CE2-CG 3.87Å; Y258-K269 HydrophobicContact CG-CB 4.38Å; Y258-K269 HydrophobicContact CG-CG 4.19Å; Y258-V273 HydrophobicContact CE2-CG2 4.25Å
259	P	97.9	Very high	98.6	Very high	25 Å²	25	12.4 Å²	12.4	16%	0.162	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.7	-163.4	23.8	-35.7	0	0	0	115.2	A23 L26 P213 C255	A23-P259 HydrophobicContact CB-CG 4.11Å; L26-P259 HydrophobicContact CD2-CG 3.5Å; L26-P259 VanDerWaalsContact CD2-CG 3.5Å; P213-P259 HydrophobicContact CB-CB 3.77Å; P213-P259 HydrophobicContact CG-CB 3.62Å; C255-P259 VanDerWaalsContact O-CA 3.28Å; C255-P259 WeakPolarHBondContact O-CA 3.42Å
260	N	97.4	Very high	98.6	Very high	83 Å²	83	12.3 Å²	12.3	44%	0.444	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-5.1	-178.1	-63.6	-18.1	0	0	0	113.1	L26 P29 Y258	L26-N260 PolarHBondContact O-ND2 3.38Å; P29-N260 WeakPolarHBondContact CD-O 3.39Å; Y258-N260 VanDerWaalsContact C-N 3.27Å; Y258-N260 PolarHBondContact O-N 3.1Å; Y258-N260 VanDerWaalsContact O-N 3.13Å
261	A	98.3	Very high	98.6	Very high	9 Å²	9	12.3 Å²	12.3	7%	0.074	7%	0.065	C	C	.	.			trans	-78.3	147.3	-172.3	0	0	0	0	0	113.3	N217 Y258 T265 L266	N217-A261 PolarHBondContact ND2-O 3.12Å; Y258-A261 WeakPolarHBondContact O-CB 3.3Å; Y258-A261 PolarHBondContact O-N 3.19Å; Y258-A261 VanDerWaalsContact O-N 3.08Å; A261-T265 HydrophobicContact CB-CG2 4.12Å; A261-L266 HydrophobicContact CB-CD2 4Å; A261-L266 HydrophobicContact CB-CG 3.98Å; A261-L266 WeakPolarHBondContact O-CD1 3.31Å
262	V	98.7	Very high	98.6	Very high	8 Å²	8	14.2 Å²	14.2	5%	0.048	8%	0.075	C	C	.	.			trans	-86.5	164.5	174.8	-66.9	0	0	0	0	112.2	P29 D33 T37 A264 T265 L266	P29-V262 HydrophobicContact CB-CB 4.39Å; P29-V262 HydrophobicContact CB-CG1 3.71Å; P29-V262 HydrophobicContact CB-CG2 3.87Å; P29-V262 HydrophobicContact CG-CG1 3.84Å; D33-V262 HydrophobicContact CB-CG2 3.82Å; T37-V262 WeakPolarHBondContact OG1-CG2 3.48Å; V262-A264 VanDerWaalsContact C-N 3.34Å; V262-A264 PolarHBondContact O-N 2.9Å; V262-T265 WeakPolarHBondContact O-CB 3.45Å; V262-T265 PolarHBondContact O-N 2.87Å; V262-L266 PolarHBondContact O-N 3.19Å
263	A	98.6	Very high	98.6	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-58.7	-36.2	-167	0	0	0	0	0	115.1	T37 L40 L220 T221 L266 V267	T37-A263 HydrophobicContact CG2-CB 4.08Å; L40-A263 HydrophobicContact CD2-CB 4.42Å; L220-A263 HydrophobicContact CB-CB 3.82Å; L220-A263 HydrophobicContact CD2-CB 3.55Å; L220-A263 HydrophobicContact CG-CB 3.59Å; T221-A263 VanDerWaalsContact OG1-CA 3.31Å; T221-A263 WeakPolarHBondContact OG1-CA 3.43Å; T221-A263 WeakPolarHBondContact OG1-CB 3.31Å; T221-A263 PolarHBondContact OG1-O 2.83Å; A263-L266 PolarHBondContact O-N 3.21Å; A263-V267 WeakPolarHBondContact O-CG2 3.46Å; A263-V267 PolarHBondContact O-N 3.34Å
264	A	98.4	Very high	98.6	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.2	-48.2	174	0	0	0	0	0	112.4	T37 V262 V267 H268 W356	T37-A264 VanDerWaalsContact OG1-CB 3.23Å; T37-A264 WeakPolarHBondContact OG1-CB 3.39Å; T37-A264 PolarHBondContact OG1-N 3.3Å; V262-A264 VanDerWaalsContact C-N 3.34Å; V262-A264 PolarHBondContact O-N 2.9Å; A264-V267 PolarHBondContact O-N 3.01Å; A264-H268 PolarHBondContact O-N 2.79Å; A264-W356 HydrophobicContact CB-CH2 4.36Å; A264-W356 HydrophobicContact CB-CZ2 3.73Å
265	T	98.7	Very high	98.6	Very high	26 Å²	26	15.4 Å²	15.4	16%	0.16	8%	0.083	C	C	.	.	H	α-helix	trans	-63	-43.2	176.6	-45.9	0	0	0	0	110.5	A261 V262 H268 K269	A261-T265 HydrophobicContact CB-CG2 4.12Å; V262-T265 WeakPolarHBondContact O-CB 3.45Å; V262-T265 PolarHBondContact O-N 2.87Å; T265-H268 PolarHBondContact O-N 2.98Å; T265-K269 HydrophobicContact CG2-CG 4.35Å; T265-K269 WeakPolarHBondContact O-CB 3.43Å; T265-K269 WeakPolarHBondContact O-CG 3.11Å; T265-K269 PolarHBondContact O-N 3.16Å
266	L	98.9	Very high	98.5	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	11%	0.113	C	C	.	.	H	α-helix	trans	-64	-39.3	178.1	-72.7	170.6	0	0	0	113.1	N217 T221 T254 A261 V262 A263 K269 F270	N217-L266 HydrophobicContact CB-CD1 3.83Å; T221-L266 HydrophobicContact CG2-CB 4.04Å; T221-L266 VanDerWaalsContact OG1-CB 3.29Å; T221-L266 WeakPolarHBondContact OG1-CB 3.42Å; T254-L266 HydrophobicContact CG2-CD2 4.16Å; A261-L266 HydrophobicContact CB-CD2 4Å; A261-L266 HydrophobicContact CB-CG 3.98Å; A261-L266 WeakPolarHBondContact O-CD1 3.31Å; V262-L266 PolarHBondContact O-N 3.19Å; A263-L266 PolarHBondContact O-N 3.21Å; L266-K269 PolarHBondContact O-N 2.86Å; L266-F270 VanDerWaalsContact O-CB 3.28Å; L266-F270 WeakPolarHBondContact O-CB 3.47Å; L266-F270 PolarHBondContact O-N 2.9Å
267	V	98.9	Very high	98.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.7	-43.1	174.8	169.8	0	0	0	0	111	L40 T221 A224 I225 A263 A264 F270 F271 T346 W356 L359	L40-V267 HydrophobicContact CD2-CG2 4.02Å; T221-V267 HydrophobicContact CG2-CG2 3.83Å; A224-V267 HydrophobicContact CB-CG2 3.77Å; I225-V267 HydrophobicContact CD1-CG1 4.24Å; A263-V267 WeakPolarHBondContact O-CG2 3.46Å; A263-V267 PolarHBondContact O-N 3.34Å; A264-V267 PolarHBondContact O-N 3.01Å; V267-F270 WeakPolarHBondContact O-CB 3.43Å; V267-F271 HydrophobicContact CG1-CD2 4.42Å; V267-F271 HydrophobicContact CG1-CE2 3.77Å; V267-F271 WeakPolarHBondContact O-CD2 3.37Å; V267-F271 PolarHBondContact O-N 3.38Å; V267-T346 HydrophobicContact CG1-CG2 4.21Å; V267-W356 HydrophobicContact CB-CH2 4.28Å; V267-W356 HydrophobicContact CB-CZ3 4.37Å; V267-W356 HydrophobicContact CG1-CH2 4.18Å; V267-W356 HydrophobicContact CG1-CZ3 3.79Å; V267-L359 HydrophobicContact CG1-CD2 3.9Å
268	H	98.8	Very high	98.5	Very high	11 Å²	11	31.4 Å²	31.4	5%	0.051	15%	0.153	C	C	.	.	H	α-helix	trans	-63.8	-45.6	172.6	161.9	72.3	0	0	0	112.1	A264 T265 F270 F271 L272 T346 D347 L350	A264-H268 PolarHBondContact O-N 2.79Å; T265-H268 PolarHBondContact O-N 2.98Å; H268-F270 VanDerWaalsContact C-N 3.32Å; H268-F270 PolarHBondContact O-N 2.79Å; H268-F271 PolarHBondContact O-N 2.93Å; H268-L272 PolarHBondContact O-N 2.74Å; H268-T346 PolarHBondContact ND1-OG1 3.19Å; H268-D347 IonicContact CE1-OD1 3.72Å; H268-D347 PolarHBondContact CE1-OD1 2.88Å; H268-D347 IonicContact ND1-OD1 3.07Å; H268-L350 HydrophobicContact CB-CD1 3.71Å
269	K	98.8	Very high	98.5	Very high	47 Å²	47	32 Å²	32	20%	0.204	16%	0.155	C	C	.	.	H	α-helix	trans	-67.8	-29.7	-179.3	-67.4	-51.5	176.3	-154.3	0	113.5	T254 Y258 T265 L266 L272 V273	T254-K269 HydrophobicContact CG2-CB 4.17Å; Y258-K269 HydrophobicContact CD1-CG 4.18Å; Y258-K269 HydrophobicContact CD2-CB 3.78Å; Y258-K269 HydrophobicContact CD2-CG 4.04Å; Y258-K269 HydrophobicContact CE1-CD 4.01Å; Y258-K269 HydrophobicContact CE1-CG 4Å; Y258-K269 HydrophobicContact CE2-CB 3.63Å; Y258-K269 HydrophobicContact CE2-CD 4.21Å; Y258-K269 HydrophobicContact CE2-CG 3.87Å; Y258-K269 HydrophobicContact CG-CB 4.38Å; Y258-K269 HydrophobicContact CG-CG 4.19Å; T265-K269 HydrophobicContact CG2-CG 4.35Å; T265-K269 WeakPolarHBondContact O-CB 3.43Å; T265-K269 WeakPolarHBondContact O-CG 3.11Å; T265-K269 PolarHBondContact O-N 3.16Å; L266-K269 PolarHBondContact O-N 2.86Å; K269-L272 HydrophobicContact CD-CB 4.5Å; K269-L272 HydrophobicContact CD-CD2 3.72Å; K269-L272 PolarHBondContact O-N 2.69Å; K269-V273 WeakPolarHBondContact O-CB 3.4Å; K269-V273 VanDerWaalsContact O-CG2 3.3Å; K269-V273 WeakPolarHBondContact O-CG2 3.41Å; K269-V273 PolarHBondContact O-N 2.83Å
270	F	98.9	Very high	98.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-56.5	-51	170.4	173.2	-86.6	0	0	0	110.8	I225 W228 W247 L250 V251 T254 L266 V267 H268 V273 F274 F339	I225-F270 HydrophobicContact CD1-CD1 3.49Å; I225-F270 VanDerWaalsContact CD1-CD1 3.49Å; I225-F270 HydrophobicContact CD1-CD2 4.49Å; I225-F270 HydrophobicContact CD1-CE1 3.67Å; I225-F270 HydrophobicContact CD1-CG 3.95Å; I225-F270 HydrophobicContact CD1-CZ 4.24Å; I225-F270 HydrophobicContact CG1-CD1 4.1Å; I225-F270 HydrophobicContact CG1-CD2 4.22Å; I225-F270 HydrophobicContact CG1-CE1 4.14Å; I225-F270 HydrophobicContact CG1-CE2 4.23Å; I225-F270 HydrophobicContact CG1-CG 4.16Å; I225-F270 HydrophobicContact CG1-CZ 4.21Å; I225-F270 HydrophobicContact CG2-CE1 3.94Å; I225-F270 HydrophobicContact CG2-CE2 3.92Å; I225-F270 HydrophobicContact CG2-CZ 3.49Å; I225-F270 VanDerWaalsContact CG2-CZ 3.49Å; W228-F270 HydrophobicContact CZ3-CE1 4.22Å; W247-F270 AromaticContact CE3-CZ 3.88Å; W247-F270 HydrophobicContact CE3-CZ 3.88Å; W247-F270 HydrophobicContact CZ3-CE1 4.45Å; W247-F270 AromaticContact CZ3-CZ 3.79Å; W247-F270 HydrophobicContact CZ3-CZ 3.79Å; L250-F270 HydrophobicContact CB-CD2 4.47Å; L250-F270 HydrophobicContact CB-CE2 3.57Å; L250-F270 HydrophobicContact CB-CZ 4.24Å; L250-F270 HydrophobicContact CD1-CE2 4.41Å; L250-F270 HydrophobicContact CD1-CZ 4.29Å; V251-F270 HydrophobicContact CG2-CD2 3.82Å; V251-F270 HydrophobicContact CG2-CE2 3.68Å; T254-F270 HydrophobicContact CG2-CB 4.06Å; L266-F270 VanDerWaalsContact O-CB 3.28Å; L266-F270 WeakPolarHBondContact O-CB 3.47Å; L266-F270 PolarHBondContact O-N 2.9Å; V267-F270 WeakPolarHBondContact O-CB 3.43Å; H268-F270 VanDerWaalsContact C-N 3.32Å; H268-F270 PolarHBondContact O-N 2.79Å; F270-V273 PolarHBondContact O-N 2.85Å; F270-F274 HydrophobicContact CD1-CD2 4.42Å; F270-F274 AromaticContact CD2-CD2 3.8Å; F270-F274 HydrophobicContact CD2-CD2 3.8Å; F270-F274 AromaticContact CD2-CE2 3.71Å; F270-F274 HydrophobicContact CD2-CE2 3.71Å; F270-F274 HydrophobicContact CE1-CD2 4.44Å; F270-F274 AromaticContact CE2-CD2 3.86Å; F270-F274 HydrophobicContact CE2-CD2 3.86Å; F270-F274 AromaticContact CE2-CE2 3.87Å; F270-F274 HydrophobicContact CE2-CE2 3.87Å; F270-F274 HydrophobicContact CG-CD2 4.1Å; F270-F274 HydrophobicContact CG-CE2 4.35Å; F270-F274 HydrophobicContact CZ-CD2 4.16Å; F270-F274 VanDerWaalsContact O-CD2 3.23Å; F270-F274 WeakPolarHBondContact O-CD2 3.49Å; F270-F274 PolarHBondContact O-N 3.06Å; F270-F339 HydrophobicContact CE1-CD1 4.21Å; F270-F339 AromaticContact CE1-CE1 3.83Å; F270-F339 HydrophobicContact CE1-CE1 3.83Å; F270-F339 HydrophobicContact CZ-CE1 4.13Å
271	F	98.9	Very high	98.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.5	-39.7	176.6	-61.5	-55.7	0	0	0	112.3	I225 W228 V267 H268 V273 S275 F339 G342 L343 T346 L359	I225-F271 HydrophobicContact CD1-CE1 4.28Å; I225-F271 HydrophobicContact CD1-CE2 4.34Å; I225-F271 HydrophobicContact CD1-CZ 3.82Å; W228-F271 AromaticContact CD2-CE1 3.82Å; W228-F271 HydrophobicContact CD2-CE1 3.82Å; W228-F271 AromaticContact CD2-CZ 3.79Å; W228-F271 HydrophobicContact CD2-CZ 3.79Å; W228-F271 AromaticContact CE2-CE1 3.5Å; W228-F271 AromaticContact CE2-CZ 3.72Å; W228-F271 HydrophobicContact CE3-CE1 4.03Å; W228-F271 HydrophobicContact CE3-CZ 4.28Å; W228-F271 HydrophobicContact CG-CZ 4.07Å; W228-F271 AromaticContact CH2-CE1 3.74Å; W228-F271 HydrophobicContact CH2-CE1 3.74Å; W228-F271 HydrophobicContact CZ2-CD1 4.37Å; W228-F271 AromaticContact CZ2-CE1 3.49Å; W228-F271 HydrophobicContact CZ2-CE1 3.49Å; W228-F271 VanDerWaalsContact CZ2-CE1 3.49Å; W228-F271 HydrophobicContact CZ2-CZ 4.19Å; W228-F271 AromaticContact CZ3-CE1 3.99Å; W228-F271 HydrophobicContact CZ3-CE1 3.99Å; W228-F271 AromaticContact NE1-CZ 3.85Å; V267-F271 HydrophobicContact CG1-CD2 4.42Å; V267-F271 HydrophobicContact CG1-CE2 3.77Å; V267-F271 WeakPolarHBondContact O-CD2 3.37Å; V267-F271 PolarHBondContact O-N 3.38Å; H268-F271 PolarHBondContact O-N 2.93Å; F271-V273 VanDerWaalsContact C-N 3.28Å; F271-V273 PolarHBondContact O-N 2.85Å; F271-S275 WeakPolarHBondContact O-CB 3.33Å; F271-S275 PolarHBondContact O-N 3.42Å; F271-S275 PolarHBondContact O-OG 3.11Å; F271-F339 HydrophobicContact CD1-CD1 4.19Å; F271-G342 VanDerWaalsContact CD2-C 3.47Å; F271-G342 WeakPolarHBondContact CD2-O 3.43Å; F271-L343 HydrophobicContact CB-CB 3.89Å; F271-T346 HydrophobicContact CD2-CG2 3.75Å; F271-T346 HydrophobicContact CE2-CG2 3.82Å; F271-L359 HydrophobicContact CE2-CD1 3.88Å; F271-L359 HydrophobicContact CE2-CD2 4.04Å; F271-L359 HydrophobicContact CZ-CD1 4Å; F271-L359 HydrophobicContact CZ-CD2 4.44Å
272	L	98.8	Very high	98.5	Very high	39 Å²	39	35.8 Å²	35.8	20%	0.204	18%	0.179	C	C	.	.	H	α-helix	trans	-60	-37.8	177.2	-178.3	61.3	0	0	0	112.6	H268 K269 K276 L343	H268-L272 PolarHBondContact O-N 2.74Å; K269-L272 HydrophobicContact CD-CB 4.5Å; K269-L272 HydrophobicContact CD-CD2 3.72Å; K269-L272 PolarHBondContact O-N 2.69Å; L272-K276 HydrophobicContact CD1-CD 4.23Å; L272-L343 HydrophobicContact CB-CD1 4.02Å; L272-L343 HydrophobicContact CD1-CD1 4.21Å; L272-L343 HydrophobicContact CD1-CD2 4.12Å
273	V	98.7	Very high	98.5	Very high	18 Å²	18	35.4 Å²	35.4	11%	0.109	18%	0.177	C	C	.	.	H	α-helix	trans	-74	-56.8	177.3	171.6	0	0	0	0	110.4	L257 Y258 K269 F270 F271 S275 K276 W277	L257-V273 HydrophobicContact CD1-CG1 4.31Å; L257-V273 HydrophobicContact CD1-CG2 4.19Å; Y258-V273 HydrophobicContact CE2-CG2 4.25Å; K269-V273 WeakPolarHBondContact O-CB 3.4Å; K269-V273 VanDerWaalsContact O-CG2 3.3Å; K269-V273 WeakPolarHBondContact O-CG2 3.41Å; K269-V273 PolarHBondContact O-N 2.83Å; F270-V273 PolarHBondContact O-N 2.85Å; F271-V273 VanDerWaalsContact C-N 3.28Å; F271-V273 PolarHBondContact O-N 2.85Å; V273-S275 PolarHBondContact O-N 2.87Å; V273-K276 CarbonylContact O-C 3.59Å; V273-K276 PolarHBondContact O-N 2.94Å; V273-K276 VanDerWaalsContact O-N 3.17Å; V273-W277 HydrophobicContact CG1-CE3 3.77Å; V273-W277 HydrophobicContact CG1-CZ3 4.16Å; V273-W277 PolarHBondContact O-N 2.93Å
274	F	98.8	Very high	98.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-81.2	-15.9	-169.6	-59.4	-59.6	0	0	0	115.5	L250 R253 T254 F270 K276 W277 W279 V283 F339	L250-F274 HydrophobicContact CB-CD2 4.29Å; L250-F274 HydrophobicContact CB-CE2 3.71Å; L250-F274 HydrophobicContact CB-CZ 3.94Å; L250-F274 HydrophobicContact CD1-CD2 4.34Å; L250-F274 HydrophobicContact CD1-CE2 4.5Å; L250-F274 HydrophobicContact CD1-CG 4.45Å; L250-F274 HydrophobicContact CD2-CD1 4.17Å; L250-F274 HydrophobicContact CD2-CE1 3.71Å; L250-F274 HydrophobicContact CD2-CE2 4.24Å; L250-F274 HydrophobicContact CD2-CZ 3.76Å; L250-F274 HydrophobicContact CG-CE2 4.36Å; L250-F274 HydrophobicContact CG-CZ 4.34Å; L250-F274 VanDerWaalsContact O-CE2 3.31Å; L250-F274 WeakPolarHBondContact O-CE2 3.44Å; L250-F274 WeakPolarHBondContact O-CZ 3.43Å; R253-F274 HydrophobicContact CB-CZ 4.46Å; T254-F274 WeakPolarHBondContact OG1-CE2 3.44Å; F270-F274 HydrophobicContact CD1-CD2 4.42Å; F270-F274 AromaticContact CD2-CD2 3.8Å; F270-F274 HydrophobicContact CD2-CD2 3.8Å; F270-F274 AromaticContact CD2-CE2 3.71Å; F270-F274 HydrophobicContact CD2-CE2 3.71Å; F270-F274 HydrophobicContact CE1-CD2 4.44Å; F270-F274 AromaticContact CE2-CD2 3.86Å; F270-F274 HydrophobicContact CE2-CD2 3.86Å; F270-F274 AromaticContact CE2-CE2 3.87Å; F270-F274 HydrophobicContact CE2-CE2 3.87Å; F270-F274 HydrophobicContact CG-CD2 4.1Å; F270-F274 HydrophobicContact CG-CE2 4.35Å; F270-F274 HydrophobicContact CZ-CD2 4.16Å; F270-F274 VanDerWaalsContact O-CD2 3.23Å; F270-F274 WeakPolarHBondContact O-CD2 3.49Å; F270-F274 PolarHBondContact O-N 3.06Å; F274-K276 PolarHBondContact O-N 3.16Å; F274-W277 HydrophobicContact CD1-CB 4.21Å; F274-W277 HydrophobicContact CD1-CD2 4.31Å; F274-W277 HydrophobicContact CD1-CE3 4.18Å; F274-W277 HydrophobicContact CD1-CG 4.34Å; F274-W277 HydrophobicContact CE1-CD2 4.31Å; F274-W277 AromaticContact CE1-CE3 3.93Å; F274-W277 HydrophobicContact CE1-CE3 3.93Å; F274-W277 HydrophobicContact CE1-CZ3 4.36Å; F274-W279 HydrophobicContact CD1-CZ2 4.22Å; F274-V283 HydrophobicContact CE1-CG2 4.02Å; F274-F339 HydrophobicContact CB-CD1 4.3Å; F274-F339 HydrophobicContact CB-CD2 4.01Å; F274-F339 HydrophobicContact CB-CE1 4.28Å; F274-F339 HydrophobicContact CB-CE2 4Å; F274-F339 HydrophobicContact CB-CG 4.19Å; F274-F339 HydrophobicContact CB-CZ 4.14Å
275	S	98.3	Very high	98.5	Very high	15 Å²	15	36.7 Å²	36.7	11%	0.105	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-16.5	166.3	64	0	0	0	0	113.9	F271 V273	F271-S275 WeakPolarHBondContact O-CB 3.33Å; F271-S275 PolarHBondContact O-N 3.42Å; F271-S275 PolarHBondContact O-OG 3.11Å; V273-S275 PolarHBondContact O-N 2.87Å
276	K	98.2	Very high	98.3	Very high	147 Å²	147	37.3 Å²	37.3	64%	0.639	18%	0.184	S	C	*	.	S	Bend	trans	-117.5	4.3	-178.9	-62.2	-175	179.1	-176.6	0	113.5	L272 V273 F274	L272-K276 HydrophobicContact CD1-CD 4.23Å; V273-K276 CarbonylContact O-C 3.59Å; V273-K276 PolarHBondContact O-N 2.94Å; V273-K276 VanDerWaalsContact O-N 3.17Å; F274-K276 PolarHBondContact O-N 3.16Å
277	W	98.5	Very high	98	Very high	57 Å²	57	42.9 Å²	42.9	22%	0.216	21%	0.21	C	C	.	.			trans	-74.3	128.5	-177.6	-170.1	-80.3	0	0	0	111	V273 F274 W279 N281 V283	V273-W277 HydrophobicContact CG1-CE3 3.77Å; V273-W277 HydrophobicContact CG1-CZ3 4.16Å; V273-W277 PolarHBondContact O-N 2.93Å; F274-W277 HydrophobicContact CD1-CB 4.21Å; F274-W277 HydrophobicContact CD1-CD2 4.31Å; F274-W277 HydrophobicContact CD1-CE3 4.18Å; F274-W277 HydrophobicContact CD1-CG 4.34Å; F274-W277 HydrophobicContact CE1-CD2 4.31Å; F274-W277 AromaticContact CE1-CE3 3.93Å; F274-W277 HydrophobicContact CE1-CE3 3.93Å; F274-W277 HydrophobicContact CE1-CZ3 4.36Å; W277-W279 VanDerWaalsContact C-N 3.33Å; W277-W279 HydrophobicContact CB-CZ2 4.14Å; W277-W279 AromaticContact CD1-CD2 3.46Å; W277-W279 VanDerWaalsContact CD1-CD2 3.46Å; W277-W279 AromaticContact CD1-CE2 3.52Å; W277-W279 AromaticContact CD1-CE3 3.5Å; W277-W279 AromaticContact CD1-CH2 3.77Å; W277-W279 AromaticContact CD1-CZ2 3.69Å; W277-W279 AromaticContact CD1-CZ3 3.67Å; W277-W279 HydrophobicContact CG-CD2 4.37Å; W277-W279 HydrophobicContact CG-CH2 4.27Å; W277-W279 AromaticContact CG-CZ2 3.97Å; W277-W279 HydrophobicContact CG-CZ2 3.97Å; W277-W279 AromaticContact NE1-CE3 3.75Å; W277-W279 AromaticContact NE1-CH2 4Å; W277-W279 AromaticContact NE1-CZ3 3.66Å; W277-W279 VanDerWaalsContact O-CD1 3.25Å; W277-W279 PolarHBondContact O-N 3.29Å; W277-N281 PolarHBondContact NE1-O 3.42Å; W277-V283 HydrophobicContact CD2-CG2 4.34Å; W277-V283 HydrophobicContact CH2-CG2 4.14Å; W277-V283 HydrophobicContact CZ2-CB 4.46Å; W277-V283 HydrophobicContact CZ2-CG2 3.65Å
278	E	98	Very high	97.5	Very high	148 Å²	148	46 Å²	46	69%	0.692	23%	0.23	S	C	*	.			trans	-81.1	75.5	-175.4	-64.1	-175.4	149.5	0	0	111.2	N281	E278-N281 WeakPolarHBondContact O-CB 3.25Å; E278-N281 VanDerWaalsContact O-CG 3.29Å; E278-N281 PolarHBondContact O-N 2.92Å; E278-N281 PolarHBondContact O-ND2 2.69Å; E278-N281 VanDerWaalsContact O-ND2 3.13Å
279	W	98.1	Very high	96.8	Very high	36 Å²	36	50.6 Å²	50.6	14%	0.136	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	134	173.6	-56.2	109	0	0	0	110.8	F274 W277 V283 M311 I313	F274-W279 HydrophobicContact CD1-CZ2 4.22Å; W277-W279 VanDerWaalsContact C-N 3.33Å; W277-W279 HydrophobicContact CB-CZ2 4.14Å; W277-W279 AromaticContact CD1-CD2 3.46Å; W277-W279 VanDerWaalsContact CD1-CD2 3.46Å; W277-W279 AromaticContact CD1-CE2 3.52Å; W277-W279 AromaticContact CD1-CE3 3.5Å; W277-W279 AromaticContact CD1-CH2 3.77Å; W277-W279 AromaticContact CD1-CZ2 3.69Å; W277-W279 AromaticContact CD1-CZ3 3.67Å; W277-W279 HydrophobicContact CG-CD2 4.37Å; W277-W279 HydrophobicContact CG-CH2 4.27Å; W277-W279 AromaticContact CG-CZ2 3.97Å; W277-W279 HydrophobicContact CG-CZ2 3.97Å; W277-W279 AromaticContact NE1-CE3 3.75Å; W277-W279 AromaticContact NE1-CH2 4Å; W277-W279 AromaticContact NE1-CZ3 3.66Å; W277-W279 VanDerWaalsContact O-CD1 3.25Å; W277-W279 PolarHBondContact O-N 3.29Å; W279-V283 HydrophobicContact CH2-CG2 3.72Å; W279-V283 HydrophobicContact CZ3-CG2 3.98Å; W279-M311 HydrophobicContact CD2-CB 4.36Å; W279-M311 HydrophobicContact CD2-CG 3.7Å; W279-M311 HydrophobicContact CE3-CB 4.13Å; W279-M311 HydrophobicContact CE3-CG 3.6Å; W279-M311 HydrophobicContact CG-CG 4.48Å; W279-M311 HydrophobicContact CH2-CE 3.93Å; W279-M311 HydrophobicContact CH2-CG 3.75Å; W279-M311 HydrophobicContact CZ2-CE 3.59Å; W279-M311 HydrophobicContact CZ2-CG 3.88Å; W279-M311 HydrophobicContact CZ2-SD 4.5Å; W279-M311 HydrophobicContact CZ3-CB 4.43Å; W279-M311 HydrophobicContact CZ3-CG 3.61Å; W279-I313 HydrophobicContact CH2-CG1 4.47Å
280	P	97.7	Very high	95.8	Very high	72 Å²	72	56 Å²	56	47%	0.468	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	cis	-98.9	26.3	19.4	39.4	-37.3	0	0	0	115.7	H309 P312	P280-H309 WeakPolarHBondContact CB-O 3.42Å; P280-P312 WeakPolarHBondContact O-CD 3.46Å; P280-P312 WeakPolarHBondContact O-CG 3.46Å
281	N	98.1	Very high	94.9	Very high	86 Å²	86	57.4 Å²	57.4	46%	0.46	29%	0.292	S	S	.	.	S	Bend	trans	-56.5	132.6	174.7	-71.8	-35.6	0	0	0	111	W277 E278	W277-N281 PolarHBondContact NE1-O 3.42Å; E278-N281 WeakPolarHBondContact O-CB 3.25Å; E278-N281 VanDerWaalsContact O-CG 3.29Å; E278-N281 PolarHBondContact O-N 2.92Å; E278-N281 PolarHBondContact O-ND2 2.69Å; E278-N281 VanDerWaalsContact O-ND2 3.13Å
282	P	98.1	Very high	94.2	Very high	39 Å²	39	64.7 Å²	64.7	25%	0.253	33%	0.332	S	S	.	.			trans	-78.7	141	-170.9	30.6	-36.4	0	0	0	113.6	L284 W298 P312 I314	P282-L284 HydrophobicContact CB-CD2 4.09Å; P282-L284 HydrophobicContact CB-CG 4.45Å; P282-L284 HydrophobicContact CG-CD2 4.4Å; P282-L284 HydrophobicContact CG-CG 4.42Å; P282-L284 PolarHBondContact O-N 2.9Å; P282-W298 HydrophobicContact CB-CH2 3.56Å; P282-W298 HydrophobicContact CB-CZ3 3.78Å; P282-W298 HydrophobicContact CG-CH2 3.77Å; P282-W298 HydrophobicContact CG-CZ3 3.99Å; P282-P312 WeakPolarHBondContact CA-O 3.5Å; P282-P312 HydrophobicContact CB-CB 4.35Å; P282-P312 HydrophobicContact CB-CG 4.13Å; P282-I314 HydrophobicContact CB-CG1 4.06Å
283	V	98.7	Very high	93.5	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-82.3	110.8	168.7	177.6	0	0	0	0	109.4	L250 R253 F274 W277 W279 P312 I313 I314	L250-V283 HydrophobicContact CD2-CB 4.26Å; L250-V283 HydrophobicContact CD2-CG1 4.06Å; L250-V283 HydrophobicContact CD2-CG2 3.85Å; R253-V283 HydrophobicContact CB-CG1 3.97Å; R253-V283 HydrophobicContact CG-CG1 4Å; F274-V283 HydrophobicContact CE1-CG2 4.02Å; W277-V283 HydrophobicContact CD2-CG2 4.34Å; W277-V283 HydrophobicContact CH2-CG2 4.14Å; W277-V283 HydrophobicContact CZ2-CB 4.46Å; W277-V283 HydrophobicContact CZ2-CG2 3.65Å; W279-V283 HydrophobicContact CH2-CG2 3.72Å; W279-V283 HydrophobicContact CZ3-CG2 3.98Å; V283-P312 PolarHBondContact N-O 2.93Å; V283-I313 HydrophobicContact CB-CG1 4.34Å; V283-I313 HydrophobicContact CB-CG2 4.21Å; V283-I313 HydrophobicContact CG1-CG2 4.38Å; V283-I313 HydrophobicContact CG2-CG1 4.5Å; V283-I314 PolarHBondContact O-N 3.27Å
284	L	98.3	Very high	92.9	Very high	25 Å²	25	71.6 Å²	71.6	13%	0.131	37%	0.368	C	S	.	.			trans	-112.7	137.5	177.5	-52.1	-175.4	0	0	0	111	I20 R253 P282 I314	I20-L284 HydrophobicContact CD1-CB 3.99Å; I20-L284 HydrophobicContact CD1-CD1 4.24Å; I20-L284 HydrophobicContact CD1-CG 4.42Å; I20-L284 HydrophobicContact CG1-CB 4.34Å; I20-L284 HydrophobicContact CG2-CB 4.22Å; R253-L284 WeakPolarHBondContact CD-O 3.5Å; P282-L284 HydrophobicContact CB-CD2 4.09Å; P282-L284 HydrophobicContact CB-CG 4.45Å; P282-L284 HydrophobicContact CG-CD2 4.4Å; P282-L284 HydrophobicContact CG-CG 4.42Å; P282-L284 PolarHBondContact O-N 2.9Å; L284-I314 HydrophobicContact CD2-CB 3.58Å; L284-I314 HydrophobicContact CD2-CG1 3.52Å; L284-I314 HydrophobicContact CD2-CG2 4.17Å
285	L	98	Very high	92.4	Very high	2 Å²	2	73.2 Å²	73.2	1%	0.01	38%	0.376	C	S	.	.	S	Bend	trans	-97.9	-21.9	176.8	-68.4	-178.4	0	0	0	114.6	G19 I208 L211 M249 A252 R253 Q256 P316	G19-L285 WeakPolarHBondContact CA-O 3.34Å; I208-L285 HydrophobicContact CG1-CD1 3.94Å; L211-L285 HydrophobicContact CD1-CB 3.93Å; M249-L285 HydrophobicContact CB-CD1 4.06Å; M249-L285 HydrophobicContact CG-CD1 3.81Å; M249-L285 HydrophobicContact SD-CD1 4.42Å; A252-L285 HydrophobicContact CB-CD1 4.02Å; A252-L285 HydrophobicContact CB-CD2 3.82Å; R253-L285 HydrophobicContact CB-CD2 3.79Å; Q256-L285 PolarHBondContact NE2-O 2.89Å; L285-P316 HydrophobicContact CB-CB 4.36Å; L285-P316 HydrophobicContact CD1-CG 4.35Å
286	K	95.3	Very high	91.9	Very high	40 Å²	40	76.8 Å²	76.8	17%	0.174	40%	0.399	C	S	.	.	S	Bend	trans	-146	168.1	172.9	55.7	179.9	-74.1	-173.2	0	108	I20 E207 L211 E289 P316	I20-K286 WeakPolarHBondContact CG2-O 3.17Å; E207-K286 VanDerWaalsContact OE2-CD 3.3Å; E207-K286 WeakPolarHBondContact OE2-CD 3.44Å; E207-K286 IonicContact OE2-NZ 3.13Å; E207-K286 PolarHBondContact OE2-NZ 3.09Å; L211-K286 HydrophobicContact CD1-CB 4.16Å; L211-K286 HydrophobicContact CD1-CD 3.93Å; L211-K286 HydrophobicContact CD1-CG 4.02Å; L211-K286 HydrophobicContact CD2-CB 4.02Å; K286-E289 WeakPolarHBondContact CE-OE1 3.22Å; K286-E289 IonicContact NZ-OE1 2.72Å; K286-E289 PolarHBondContact NZ-OE1 2.78Å; K286-E289 IonicContact NZ-OE2 2.75Å; K286-P316 HydrophobicContact CD-CB 3.91Å; K286-P316 WeakPolarHBondContact CD-O 3.44Å; K286-P316 HydrophobicContact CG-CB 3.9Å
287	Q	93.3	Very high	91.7	Very high	118 Å²	118	72.1 Å²	72.1	55%	0.551	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-65.3	140.4	166.5	-64	-63.5	-1.2	0	0	108.5	I20 E289	I20-Q287 HydrophobicContact CG2-CG 4.12Å; Q287-E289 PolarHBondContact O-N 2.99Å
288	P	88.4	Confident	91.5	Very high	65 Å²	65	70.8 Å²	70.8	42%	0.422	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-58	136	164.5	-21	33.5	0	0	0	109.6
289	E	82.8	Confident	91.3	Very high	109 Å²	109	64.9 Å²	64.9	51%	0.509	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-102	127.2	172.8	-73.9	161.2	-141	0	0	107.7	K286 Q287	K286-E289 WeakPolarHBondContact CE-OE1 3.22Å; K286-E289 IonicContact NZ-OE1 2.72Å; K286-E289 PolarHBondContact NZ-OE1 2.78Å; K286-E289 IonicContact NZ-OE2 2.75Å; Q287-E289 PolarHBondContact O-N 2.99Å
290	D	77.4	Confident	91.1	Very high	160 Å²	160	65 Å²	65	86%	0.856	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-71.5	131.1	175.9	-68	-44.8	0	0	0	109.8
291	S	81.4	Confident	90.9	Very high	29 Å²	29	70.5 Å²	70.5	20%	0.203	37%	0.368	C	S	.	.			trans	-140.6	126.8	-172.1	-169.9	0	0	0	0	110.6	D185 L293 Y318	D185-S291 VanDerWaalsContact OD2-CB 3.26Å; D185-S291 WeakPolarHBondContact OD2-CB 3.4Å; D185-S291 PolarHBondContact OD2-OG 3.27Å; S291-L293 PolarHBondContact O-N 3.29Å; S291-Y318 PolarHBondContact O-OH 3.37Å
292	N	83	Confident	90.7	Very high	154 Å²	154	71.9 Å²	71.9	82%	0.824	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	23.8	-164.8	-60.8	-1.9	0	0	0	114.7
293	L	84.2	Confident	90.4	Very high	45 Å²	45	72.6 Å²	72.6	24%	0.236	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-0.5	-175.4	-53.2	-174.4	0	0	0	113.4	L188 K189 S291 L295 Y318	L188-L293 HydrophobicContact CB-CD1 3.8Å; K189-L293 HydrophobicContact CG-CD1 4.43Å; K189-L293 HydrophobicContact CG-CD2 3.67Å; S291-L293 PolarHBondContact O-N 3.29Å; L293-L295 HydrophobicContact CB-CD1 4.39Å; L293-L295 HydrophobicContact CB-CG 4.04Å; L293-L295 PolarHBondContact O-N 3.15Å; L293-Y318 HydrophobicContact CB-CE1 4.05Å; L293-Y318 HydrophobicContact CD1-CE1 4.12Å; L293-Y318 HydrophobicContact CG-CE1 4.34Å
294	N	85.4	Confident	90.2	Very high	156 Å²	156	76 Å²	76	83%	0.834	40%	0.402	S	S	*	.			trans	52.3	25.5	177	-61.9	-22.9	0	0	0	114.8
295	L	89	Confident	90	Very high	34 Å²	34	78.5 Å²	78.5	18%	0.178	42%	0.422	C	S	.	.			trans	-73.8	152.6	175.3	-56.2	-178.4	0	0	0	110.4	L188 I196 L293 V297 Y318 P319	L188-L295 HydrophobicContact CD1-CD1 4.42Å; I196-L295 HydrophobicContact CD1-CD1 3.91Å; I196-L295 HydrophobicContact CD1-CD2 3.76Å; I196-L295 HydrophobicContact CG2-CD1 4.07Å; L293-L295 HydrophobicContact CB-CD1 4.39Å; L293-L295 HydrophobicContact CB-CG 4.04Å; L293-L295 PolarHBondContact O-N 3.15Å; L295-V297 PolarHBondContact O-N 3.07Å; L295-V297 VanDerWaalsContact O-N 3.14Å; L295-Y318 HydrophobicContact CB-CE1 4.29Å; L295-Y318 HydrophobicContact CD1-CD1 4.48Å; L295-Y318 HydrophobicContact CD1-CE1 3.68Å; L295-Y318 HydrophobicContact CG-CE1 4.14Å; L295-Y318 PolarHBondContact N-OH 3.37Å; L295-P319 HydrophobicContact CB-CB 3.86Å; L295-P319 HydrophobicContact CB-CG 4.06Å; L295-P319 HydrophobicContact CD1-CB 4.3Å; L295-P319 HydrophobicContact CD1-CG 3.85Å
296	P	88.4	Confident	89.9	Confident	90 Å²	90	79.2 Å²	79.2	58%	0.584	43%	0.426	S	S	*	.			trans	-60.7	117.2	175.3	-22.7	33.9	0	0	0	111.4	P319 Q321	P296-P319 WeakPolarHBondContact O-CB 3.46Å; P296-Q321 PolarHBondContact O-NE2 3.07Å
297	V	93	Very high	89.9	Confident	49 Å²	49	84.2 Å²	84.2	30%	0.297	44%	0.444	S	S	.	.			trans	-112	141.4	174.3	174.1	0	0	0	0	108.8	L295 D299 Y318 P319 Q320	L295-V297 PolarHBondContact O-N 3.07Å; L295-V297 VanDerWaalsContact O-N 3.14Å; V297-D299 PolarHBondContact O-N 3.44Å; V297-Y318 HydrophobicContact CG2-CD2 3.97Å; V297-Y318 HydrophobicContact CG2-CE2 3.49Å; V297-Y318 VanDerWaalsContact CG2-CE2 3.49Å; V297-P319 HydrophobicContact CG2-CB 4.05Å; V297-Q320 CarbonylContact C-O 3.49Å; V297-Q320 WeakPolarHBondContact CA-O 3.42Å; V297-Q320 HydrophobicContact CG1-CB 4.27Å
298	W	94.6	Very high	90	Very high	29 Å²	29	87.4 Å²	87.4	11%	0.11	45%	0.452	C	S	.	.			trans	-68.4	114	171.7	-179.7	80.7	0	0	0	110.1	P282 P300 D306 H309 P312 I314 Q320 N322	P282-W298 HydrophobicContact CB-CH2 3.56Å; P282-W298 HydrophobicContact CB-CZ3 3.78Å; P282-W298 HydrophobicContact CG-CH2 3.77Å; P282-W298 HydrophobicContact CG-CZ3 3.99Å; W298-P300 VanDerWaalsContact CH2-CD 3.48Å; W298-P300 HydrophobicContact CH2-CG 3.66Å; W298-P300 HydrophobicContact CZ2-CB 4.36Å; W298-P300 HydrophobicContact CZ2-CG 3.71Å; W298-P300 HydrophobicContact CZ3-CG 4.33Å; W298-D306 WeakPolarHBondContact CA-OD2 3.22Å; W298-D306 PolarHBondContact NE1-OD1 2.85Å; W298-H309 AromaticContact CD1-CE1 3.81Å; W298-H309 AromaticContact CD1-ND1 3.49Å; W298-H309 AromaticContact NE1-CE1 3.8Å; W298-H309 AromaticContact NE1-ND1 3.05Å; W298-H309 PolarHBondContact NE1-ND1 3.06Å; W298-P312 HydrophobicContact CH2-CB 4.38Å; W298-P312 HydrophobicContact CH2-CG 4.5Å; W298-P312 HydrophobicContact CZ2-CB 3.89Å; W298-P312 HydrophobicContact CZ2-CG 4.17Å; W298-I314 HydrophobicContact CB-CD1 4.46Å; W298-I314 HydrophobicContact CD2-CD1 3.34Å; W298-I314 HydrophobicContact CD2-CG1 4.13Å; W298-I314 HydrophobicContact CE3-CD1 3.35Å; W298-I314 HydrophobicContact CE3-CG1 3.59Å; W298-I314 HydrophobicContact CE3-CG2 4.33Å; W298-I314 HydrophobicContact CG-CD1 3.82Å; W298-I314 HydrophobicContact CH2-CD1 4.25Å; W298-I314 HydrophobicContact CH2-CG1 4.49Å; W298-I314 HydrophobicContact CZ2-CD1 4.25Å; W298-I314 HydrophobicContact CZ3-CD1 3.83Å; W298-I314 HydrophobicContact CZ3-CG1 3.79Å; W298-Q320 PolarHBondContact N-O 2.87Å; W298-N322 HydrophobicContact CG-CB 4.19Å
299	D	94.1	Very high	90.5	Very high	24 Å²	24	86.1 Å²	86.1	13%	0.128	44%	0.441	C	S	.	.			trans	-154.3	104.9	172.5	179.6	6.1	0	0	0	111.3	V297 R301 V302 N303 D306	V297-D299 PolarHBondContact O-N 3.44Å; D299-R301 VanDerWaalsContact CG-NE 3.3Å; D299-R301 PolarHBondContact O-N 3.19Å; D299-R301 VanDerWaalsContact O-N 3.09Å; D299-R301 WeakPolarHBondContact OD1-CB 3.23Å; D299-R301 WeakPolarHBondContact OD1-CG 3.49Å; D299-R301 IonicContact OD1-CZ 3.82Å; D299-R301 PolarHBondContact OD1-N 3.05Å; D299-R301 IonicContact OD1-NE 3.29Å; D299-R301 PolarHBondContact OD1-NE 3.11Å; D299-R301 IonicContact OD1-NH2 3.06Å; D299-R301 IonicContact OD2-CZ 2.71Å; D299-R301 IonicContact OD2-NE 2.76Å; D299-R301 PolarHBondContact OD2-NE 2.91Å; D299-R301 IonicContact OD2-NH2 2.69Å; D299-R301 PolarHBondContact OD2-NH2 3.49Å; D299-V302 HydrophobicContact CB-CG2 3.89Å; D299-V302 PolarHBondContact O-N 3.48Å; D299-N303 WeakPolarHBondContact O-CB 3.32Å; D299-N303 PolarHBondContact O-N 3.42Å; D299-D306 PolarHBondContact N-OD2 3.41Å
300	P	94.6	Very high	91.2	Very high	38 Å²	38	83.3 Å²	83.3	25%	0.247	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-8.9	-178.8	30.6	-36	0	0	0	113.3	W298 D306 R307	W298-P300 VanDerWaalsContact CH2-CD 3.48Å; W298-P300 HydrophobicContact CH2-CG 3.66Å; W298-P300 HydrophobicContact CZ2-CB 4.36Å; W298-P300 HydrophobicContact CZ2-CG 3.71Å; W298-P300 HydrophobicContact CZ3-CG 4.33Å; P300-D306 HydrophobicContact CB-CB 4.09Å; P300-R307 HydrophobicContact CB-CG 3.85Å; P300-R307 VanDerWaalsContact O-CG 3.23Å; P300-R307 WeakPolarHBondContact O-CG 3.19Å; P300-R307 PolarHBondContact O-NE 3.4Å
301	R	93.4	Very high	92.2	Very high	189 Å²	189	75.8 Å²	75.8	71%	0.713	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-51.3	171.7	-57.5	171.7	-62.2	176.4	7.4	109.7	D299 R307	D299-R301 VanDerWaalsContact CG-NE 3.3Å; D299-R301 PolarHBondContact O-N 3.19Å; D299-R301 VanDerWaalsContact O-N 3.09Å; D299-R301 WeakPolarHBondContact OD1-CB 3.23Å; D299-R301 WeakPolarHBondContact OD1-CG 3.49Å; D299-R301 IonicContact OD1-CZ 3.82Å; D299-R301 PolarHBondContact OD1-N 3.05Å; D299-R301 IonicContact OD1-NE 3.29Å; D299-R301 PolarHBondContact OD1-NE 3.11Å; D299-R301 IonicContact OD1-NH2 3.06Å; D299-R301 IonicContact OD2-CZ 2.71Å; D299-R301 IonicContact OD2-NE 2.76Å; D299-R301 PolarHBondContact OD2-NE 2.91Å; D299-R301 IonicContact OD2-NH2 2.69Å; D299-R301 PolarHBondContact OD2-NH2 3.49Å; R301-R307 PolarHBondContact O-NH2 3.43Å
302	V	92.5	Very high	93	Very high	114 Å²	114	74.5 Å²	74.5	69%	0.691	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-35.1	-174.6	-59.3	0	0	0	0	113.5	D299 P304	D299-V302 HydrophobicContact CB-CG2 3.89Å; D299-V302 PolarHBondContact O-N 3.48Å; V302-P304 WeakPolarHBondContact O-CD 3.32Å
303	N	93.3	Very high	93.8	Very high	54 Å²	54	67.1 Å²	67.1	29%	0.289	34%	0.34	S	S	.	.			trans	-98.2	115.2	-178.5	-179.4	4.6	0	0	0	110.9	D299 S305 D306	D299-N303 WeakPolarHBondContact O-CB 3.32Å; D299-N303 PolarHBondContact O-N 3.42Å; N303-S305 VanDerWaalsContact C-N 3.3Å; N303-S305 PolarHBondContact O-N 3.12Å; N303-S305 WeakPolarHBondContact OD1-CB 3.41Å; N303-S305 PolarHBondContact OD1-N 2.9Å; N303-D306 HydrophobicContact CB-CB 4.13Å; N303-D306 WeakPolarHBondContact CB-OD2 3.31Å; N303-D306 PolarHBondContact ND2-OD1 2.93Å; N303-D306 PolarHBondContact ND2-OD2 3.41Å; N303-D306 PolarHBondContact O-N 3.16Å
304	P	94.8	Very high	94.4	Very high	71 Å²	71	65.3 Å²	65.3	46%	0.461	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-33.3	177.9	-24.1	35.5	0	0	0	113.9	V302 D306 R307 Y308	V302-P304 WeakPolarHBondContact O-CD 3.32Å; P304-D306 VanDerWaalsContact C-N 3.33Å; P304-D306 PolarHBondContact O-N 3.25Å; P304-R307 VanDerWaalsContact O-CB 3.32Å; P304-R307 WeakPolarHBondContact O-CB 3.26Å; P304-R307 WeakPolarHBondContact O-CG 3.49Å; P304-R307 PolarHBondContact O-N 3.02Å; P304-Y308 WeakPolarHBondContact O-CD2 3.29Å; P304-Y308 WeakPolarHBondContact O-CE2 3.29Å
305	S	93.6	Very high	95	Very high	79 Å²	79	58.7 Å²	58.7	55%	0.552	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-65	-37.9	-178.5	-57	0	0	0	0	111.9	N303 R307 Y308	N303-S305 VanDerWaalsContact C-N 3.3Å; N303-S305 PolarHBondContact O-N 3.12Å; N303-S305 WeakPolarHBondContact OD1-CB 3.41Å; N303-S305 PolarHBondContact OD1-N 2.9Å; S305-R307 PolarHBondContact O-N 3.48Å; S305-R307 VanDerWaalsContact O-N 3.15Å; S305-Y308 PolarHBondContact O-N 3.31Å; S305-Y308 VanDerWaalsContact O-N 3.16Å
306	D	95.1	Very high	95.3	Very high	16 Å²	16	57.2 Å²	57.2	9%	0.086	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-64.4	-19.5	-179.9	-77	-22.6	0	0	0	113.6	W298 D299 P300 N303 P304 Y308 H309	W298-D306 WeakPolarHBondContact CA-OD2 3.22Å; W298-D306 PolarHBondContact NE1-OD1 2.85Å; D299-D306 PolarHBondContact N-OD2 3.41Å; P300-D306 HydrophobicContact CB-CB 4.09Å; N303-D306 HydrophobicContact CB-CB 4.13Å; N303-D306 WeakPolarHBondContact CB-OD2 3.31Å; N303-D306 PolarHBondContact ND2-OD1 2.93Å; N303-D306 PolarHBondContact ND2-OD2 3.41Å; N303-D306 PolarHBondContact O-N 3.16Å; P304-D306 VanDerWaalsContact C-N 3.33Å; P304-D306 PolarHBondContact O-N 3.25Å; D306-Y308 VanDerWaalsContact C-N 3.26Å; D306-Y308 PolarHBondContact O-N 3.42Å; D306-H309 PolarHBondContact O-N 3.31Å; D306-H309 IonicContact OD1-CE1 2.69Å; D306-H309 PolarHBondContact OD1-CE1 3.13Å; D306-H309 IonicContact OD1-ND1 3.9Å
307	R	95.9	Very high	95.6	Very high	145 Å²	145	53.2 Å²	53.2	55%	0.547	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-70.3	-20.5	177.6	-57.4	175.1	-177.1	165.5	2.8	113	P300 R301 P304 S305	P300-R307 HydrophobicContact CB-CG 3.85Å; P300-R307 VanDerWaalsContact O-CG 3.23Å; P300-R307 WeakPolarHBondContact O-CG 3.19Å; P300-R307 PolarHBondContact O-NE 3.4Å; R301-R307 PolarHBondContact O-NH2 3.43Å; P304-R307 VanDerWaalsContact O-CB 3.32Å; P304-R307 WeakPolarHBondContact O-CB 3.26Å; P304-R307 WeakPolarHBondContact O-CG 3.49Å; P304-R307 PolarHBondContact O-N 3.02Å; S305-R307 PolarHBondContact O-N 3.48Å; S305-R307 VanDerWaalsContact O-N 3.15Å
308	Y	96	Very high	95.6	Very high	185 Å²	185	51.4 Å²	51.4	73%	0.725	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-89.8	-3.8	-178.9	-62.7	-82.7	0	0	0	113.4	P304 S305 D306 L310	P304-Y308 WeakPolarHBondContact O-CD2 3.29Å; P304-Y308 WeakPolarHBondContact O-CE2 3.29Å; S305-Y308 PolarHBondContact O-N 3.31Å; S305-Y308 VanDerWaalsContact O-N 3.16Å; D306-Y308 VanDerWaalsContact C-N 3.26Å; D306-Y308 PolarHBondContact O-N 3.42Å; Y308-L310 PolarHBondContact O-N 2.73Å
309	H	97.5	Very high	95.5	Very high	39 Å²	39	50.4 Å²	50.4	18%	0.181	25%	0.247	C	C	.	.			trans	-67.3	117.8	178.2	-68.9	156.4	0	0	0	111.8	P280 W298 D306 P312 N322	P280-H309 WeakPolarHBondContact CB-O 3.42Å; W298-H309 AromaticContact CD1-CE1 3.81Å; W298-H309 AromaticContact CD1-ND1 3.49Å; W298-H309 AromaticContact NE1-CE1 3.8Å; W298-H309 AromaticContact NE1-ND1 3.05Å; W298-H309 PolarHBondContact NE1-ND1 3.06Å; D306-H309 PolarHBondContact O-N 3.31Å; D306-H309 IonicContact OD1-CE1 2.69Å; D306-H309 PolarHBondContact OD1-CE1 3.13Å; D306-H309 IonicContact OD1-ND1 3.9Å; H309-P312 HydrophobicContact CB-CB 4.26Å; H309-N322 PolarHBondContact ND1-ND2 3.27Å; H309-N322 VanDerWaalsContact ND1-ND2 3.11Å
310	L	98	Very high	95.5	Very high	50 Å²	50	49.6 Å²	49.6	26%	0.262	24%	0.243	S	C	.	.	S	Bend	trans	-80.9	-21.6	-167.7	-60.2	178.9	0	0	0	114.9	Y308 S328 R332	Y308-L310 PolarHBondContact O-N 2.73Å; L310-S328 VanDerWaalsContact CD1-C 3.49Å; L310-R332 WeakPolarHBondContact O-CD 3.29Å; L310-R332 PolarHBondContact O-NH1 2.97Å
311	M	98.4	Very high	95.5	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	25%	0.249	C	C	.	.	S	Bend	trans	-150.7	64.2	-177.7	-171.1	-176.5	172.8	0	0	110.8	L242 W279 T324 V327 R332 M335 F339	L242-M311 HydrophobicContact CD1-CE 3.86Å; L242-M311 HydrophobicContact CD1-SD 4.01Å; W279-M311 HydrophobicContact CD2-CB 4.36Å; W279-M311 HydrophobicContact CD2-CG 3.7Å; W279-M311 HydrophobicContact CE3-CB 4.13Å; W279-M311 HydrophobicContact CE3-CG 3.6Å; W279-M311 HydrophobicContact CG-CG 4.48Å; W279-M311 HydrophobicContact CH2-CE 3.93Å; W279-M311 HydrophobicContact CH2-CG 3.75Å; W279-M311 HydrophobicContact CZ2-CE 3.59Å; W279-M311 HydrophobicContact CZ2-CG 3.88Å; W279-M311 HydrophobicContact CZ2-SD 4.5Å; W279-M311 HydrophobicContact CZ3-CB 4.43Å; W279-M311 HydrophobicContact CZ3-CG 3.61Å; M311-T324 WeakPolarHBondContact O-CB 3.42Å; M311-T324 PolarHBondContact O-OG1 2.77Å; M311-V327 HydrophobicContact CB-CB 4.28Å; M311-V327 HydrophobicContact CB-CG1 3.86Å; M311-V327 HydrophobicContact SD-CG1 4.28Å; M311-R332 HydrophobicContact CB-CG 4.39Å; M311-M335 HydrophobicContact SD-CE 3.64Å; M311-M335 HydrophobicContact SD-SD 4.48Å; M311-F339 HydrophobicContact CE-CE2 3.84Å; M311-F339 HydrophobicContact CE-CZ 4.13Å
312	P	98.4	Very high	95.7	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.013	22%	0.218	C	C	.	.			trans	-73.8	129.9	-169.6	24.8	-28.5	0	0	0	113.6	P280 P282 V283 W298 H309 I314 N322	P280-P312 WeakPolarHBondContact O-CD 3.46Å; P280-P312 WeakPolarHBondContact O-CG 3.46Å; P282-P312 WeakPolarHBondContact CA-O 3.5Å; P282-P312 HydrophobicContact CB-CB 4.35Å; P282-P312 HydrophobicContact CB-CG 4.13Å; V283-P312 PolarHBondContact N-O 2.93Å; W298-P312 HydrophobicContact CH2-CB 4.38Å; W298-P312 HydrophobicContact CH2-CG 4.5Å; W298-P312 HydrophobicContact CZ2-CB 3.89Å; W298-P312 HydrophobicContact CZ2-CG 4.17Å; H309-P312 HydrophobicContact CB-CB 4.26Å; P312-I314 HydrophobicContact CB-CD1 4.02Å; P312-N322 WeakPolarHBondContact CA-OD1 3.2Å
313	I	98.7	Very high	95.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-129.1	118.1	175.6	-54.5	173	0	0	0	107	L242 M249 L250 W279 V283 N322 S323 T324	L242-I313 HydrophobicContact CD1-CD1 4.39Å; L242-I313 HydrophobicContact CD2-CD1 3.66Å; L242-I313 HydrophobicContact CG-CD1 4.16Å; M249-I313 HydrophobicContact CB-CG2 3.83Å; M249-I313 HydrophobicContact CE-CG2 3.84Å; L250-I313 HydrophobicContact CD1-CD1 4.11Å; L250-I313 HydrophobicContact CD2-CD1 3.53Å; L250-I313 HydrophobicContact CD2-CG1 4Å; L250-I313 HydrophobicContact CD2-CG2 4.33Å; L250-I313 HydrophobicContact CG-CD1 3.79Å; W279-I313 HydrophobicContact CH2-CG1 4.47Å; V283-I313 HydrophobicContact CB-CG1 4.34Å; V283-I313 HydrophobicContact CB-CG2 4.21Å; V283-I313 HydrophobicContact CG1-CG2 4.38Å; V283-I313 HydrophobicContact CG2-CG1 4.5Å; I313-N322 PolarHBondContact N-OD1 3.32Å; I313-N322 VanDerWaalsContact N-OD1 3.13Å; I313-N322 PolarHBondContact O-OD1 2.87Å; I313-S323 PolarHBondContact O-N 3.42Å; I313-S323 PolarHBondContact O-OG 2.86Å; I313-T324 HydrophobicContact CD1-CG2 3.81Å; I313-T324 HydrophobicContact CG1-CG2 4.31Å; I313-T324 PolarHBondContact N-OG1 2.9Å
314	I	98.1	Very high	96.1	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.036	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-107.6	131.2	-160.9	-49.3	-53.4	0	0	0	111.4	P282 V283 L284 W298 P312 Q320 Q321 N322	P282-I314 HydrophobicContact CB-CG1 4.06Å; V283-I314 PolarHBondContact O-N 3.27Å; L284-I314 HydrophobicContact CD2-CB 3.58Å; L284-I314 HydrophobicContact CD2-CG1 3.52Å; L284-I314 HydrophobicContact CD2-CG2 4.17Å; W298-I314 HydrophobicContact CB-CD1 4.46Å; W298-I314 HydrophobicContact CD2-CD1 3.34Å; W298-I314 HydrophobicContact CD2-CG1 4.13Å; W298-I314 HydrophobicContact CE3-CD1 3.35Å; W298-I314 HydrophobicContact CE3-CG1 3.59Å; W298-I314 HydrophobicContact CE3-CG2 4.33Å; W298-I314 HydrophobicContact CG-CD1 3.82Å; W298-I314 HydrophobicContact CH2-CD1 4.25Å; W298-I314 HydrophobicContact CH2-CG1 4.49Å; W298-I314 HydrophobicContact CZ2-CD1 4.25Å; W298-I314 HydrophobicContact CZ3-CD1 3.83Å; W298-I314 HydrophobicContact CZ3-CG1 3.79Å; P312-I314 HydrophobicContact CB-CD1 4.02Å; I314-Q320 HydrophobicContact CG2-CB 3.84Å; I314-Q321 WeakPolarHBondContact CA-O 3.32Å; I314-N322 HydrophobicContact CD1-CB 3.86Å
315	T	96.9	Very high	96.1	Very high	16 Å²	16	39.1 Å²	39.1	10%	0.098	18%	0.181	C	C	.	.			trans	-65	133	178.3	59.9	0	0	0	0	111.4	V204 M249 Q320 Q321	V204-T315 HydrophobicContact CG1-CG2 4.38Å; V204-T315 HydrophobicContact CG2-CG2 4.03Å; M249-T315 HydrophobicContact CE-CG2 4.08Å; M249-T315 HydrophobicContact SD-CG2 4.44Å; T315-Q320 WeakPolarHBondContact O-CB 3.23Å; T315-Q320 VanDerWaalsContact O-CG 3.31Å; T315-Q320 WeakPolarHBondContact O-CG 3.4Å; T315-Q321 PolarHBondContact N-O 3.29Å; T315-Q321 PolarHBondContact OG1-N 2.91Å; T315-Q321 PolarHBondContact OG1-O 2.98Å
316	P	95.8	Very high	96.2	Very high	4 Å²	4	36.3 Å²	36.3	3%	0.026	16%	0.16	C	C	.	.	S	Bend	trans	-69.4	-36.4	-175	24.9	-34.3	0	0	0	113.9	E207 I208 L211 L285 K286	E207-P316 HydrophobicContact CB-CB 4.06Å; E207-P316 HydrophobicContact CB-CG 3.7Å; I208-P316 HydrophobicContact CG1-CG 4.3Å; L211-P316 HydrophobicContact CD1-CB 3.55Å; L211-P316 HydrophobicContact CD1-CG 4.16Å; L285-P316 HydrophobicContact CB-CB 4.36Å; L285-P316 HydrophobicContact CD1-CG 4.35Å; K286-P316 HydrophobicContact CD-CB 3.91Å; K286-P316 WeakPolarHBondContact CD-O 3.44Å; K286-P316 HydrophobicContact CG-CB 3.9Å
317	A	94.8	Very high	96.3	Very high	5 Å²	5	36 Å²	36	4%	0.041	16%	0.158	C	C	.	.	S	Bend	trans	-73.5	142.7	-179.4	0	0	0	0	0	111.6	R203 V204 E207 P319 Q320	R203-A317 HydrophobicContact CB-CB 3.73Å; V204-A317 HydrophobicContact CG2-CB 4.03Å; E207-A317 HydrophobicContact CG-CB 4.23Å; A317-P319 CarbonylContact O-C 3.59Å; A317-Q320 PolarHBondContact O-N 3.44Å
318	Y	93.2	Very high	96.4	Very high	11 Å²	11	30.1 Å²	30.1	4%	0.043	14%	0.14	C	C	.	.	S	Bend	trans	-70.3	144.2	169.4	178.2	-90.2	0	0	0	110.9	D185 L188 R203 S291 L293 L295 V297	D185-Y318 WeakPolarHBondContact OD2-CB 3.48Å; D185-Y318 WeakPolarHBondContact OD2-CD1 3.38Å; L188-Y318 HydrophobicContact CD1-CD1 4.1Å; R203-Y318 PolarHBondContact NE-O 2.92Å; R203-Y318 PolarHBondContact NH2-O 3.48Å; S291-Y318 PolarHBondContact O-OH 3.37Å; L293-Y318 HydrophobicContact CB-CE1 4.05Å; L293-Y318 HydrophobicContact CD1-CE1 4.12Å; L293-Y318 HydrophobicContact CG-CE1 4.34Å; L295-Y318 HydrophobicContact CB-CE1 4.29Å; L295-Y318 HydrophobicContact CD1-CD1 4.48Å; L295-Y318 HydrophobicContact CD1-CE1 3.68Å; L295-Y318 HydrophobicContact CG-CE1 4.14Å; L295-Y318 PolarHBondContact N-OH 3.37Å; V297-Y318 HydrophobicContact CG2-CD2 3.97Å; V297-Y318 HydrophobicContact CG2-CE2 3.49Å; V297-Y318 VanDerWaalsContact CG2-CE2 3.49Å
319	P	93.3	Very high	96.5	Very high	8 Å²	8	24.6 Å²	24.6	5%	0.052	13%	0.126	C	C	.	.	S	Bend	cis	-71.5	129.1	-11.8	29.8	-34.1	0	0	0	111.1	I196 L295 P296 V297 A317	I196-P319 HydrophobicContact CG2-CG 4.28Å; L295-P319 HydrophobicContact CB-CB 3.86Å; L295-P319 HydrophobicContact CB-CG 4.06Å; L295-P319 HydrophobicContact CD1-CB 4.3Å; L295-P319 HydrophobicContact CD1-CG 3.85Å; P296-P319 WeakPolarHBondContact O-CB 3.46Å; V297-P319 HydrophobicContact CG2-CB 4.05Å; A317-P319 CarbonylContact O-C 3.59Å
320	Q	94	Very high	96.5	Very high	7 Å²	7	22.8 Å²	22.8	3%	0.033	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-71.8	135.1	-175.8	-58.6	82	-4.6	0	0	110	V297 W298 I314 T315 A317	V297-Q320 CarbonylContact C-O 3.49Å; V297-Q320 WeakPolarHBondContact CA-O 3.42Å; V297-Q320 HydrophobicContact CG1-CB 4.27Å; W298-Q320 PolarHBondContact N-O 2.87Å; I314-Q320 HydrophobicContact CG2-CB 3.84Å; T315-Q320 WeakPolarHBondContact O-CB 3.23Å; T315-Q320 VanDerWaalsContact O-CG 3.31Å; T315-Q320 WeakPolarHBondContact O-CG 3.4Å; A317-Q320 PolarHBondContact O-N 3.44Å
321	Q	94.3	Very high	96.5	Very high	82 Å²	82	20.7 Å²	20.7	38%	0.383	11%	0.106	S	C	.	.			trans	-136.4	152.6	-175.3	-68.9	-69.3	-89	0	0	110.9	P296 I314 T315 S323	P296-Q321 PolarHBondContact O-NE2 3.07Å; I314-Q321 WeakPolarHBondContact CA-O 3.32Å; T315-Q321 PolarHBondContact N-O 3.29Å; T315-Q321 PolarHBondContact OG1-N 2.91Å; T315-Q321 PolarHBondContact OG1-O 2.98Å; Q321-S323 PolarHBondContact O-N 2.93Å
322	N	96.8	Very high	96.5	Very high	11 Å²	11	23.6 Å²	23.6	6%	0.059	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-78	113.5	172.4	178.4	19.9	0	0	0	110.7	W298 H309 P312 I313 I314 T324 Y325	W298-N322 HydrophobicContact CG-CB 4.19Å; H309-N322 PolarHBondContact ND1-ND2 3.27Å; H309-N322 VanDerWaalsContact ND1-ND2 3.11Å; P312-N322 WeakPolarHBondContact CA-OD1 3.2Å; I313-N322 PolarHBondContact N-OD1 3.32Å; I313-N322 VanDerWaalsContact N-OD1 3.13Å; I313-N322 PolarHBondContact O-OD1 2.87Å; I314-N322 HydrophobicContact CD1-CB 3.86Å; N322-T324 PolarHBondContact O-N 3.43Å; N322-T324 PolarHBondContact OD1-N 3.2Å; N322-T324 PolarHBondContact OD1-OG1 3.28Å; N322-Y325 WeakPolarHBondContact ND2-CA 2.83Å; N322-Y325 PolarHBondContact ND2-N 3.09Å; N322-Y325 WeakPolarHBondContact O-CD1 3.41Å
323	S	96.9	Very high	96.4	Very high	19 Å²	19	26.1 Å²	26.1	13%	0.133	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	6.2	179	78.3	0	0	0	0	114.2	S246 M249 I313 Q321	S246-S323 WeakPolarHBondContact OG-CB 3.45Å; S246-S323 PolarHBondContact OG-O 3.46Å; S246-S323 PolarHBondContact OG-OG 3.22Å; M249-S323 WeakPolarHBondContact CE-OG 3.21Å; I313-S323 PolarHBondContact O-N 3.42Å; I313-S323 PolarHBondContact O-OG 2.86Å; Q321-S323 PolarHBondContact O-N 2.93Å
324	T	97.2	Very high	96.4	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.012	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.1	30.7	-178.9	39.2	0	0	0	0	112.9	L242 M311 I313 N322 N326 V327	L242-T324 HydrophobicContact CD1-CG2 3.62Å; L242-T324 HydrophobicContact CG-CG2 3.66Å; M311-T324 WeakPolarHBondContact O-CB 3.42Å; M311-T324 PolarHBondContact O-OG1 2.77Å; I313-T324 HydrophobicContact CD1-CG2 3.81Å; I313-T324 HydrophobicContact CG1-CG2 4.31Å; I313-T324 PolarHBondContact N-OG1 2.9Å; N322-T324 PolarHBondContact O-N 3.43Å; N322-T324 PolarHBondContact OD1-N 3.2Å; N322-T324 PolarHBondContact OD1-OG1 3.28Å; T324-N326 PolarHBondContact O-N 3.03Å; T324-V327 HydrophobicContact CG2-CG2 4.09Å; T324-V327 WeakPolarHBondContact O-CB 3.43Å; T324-V327 WeakPolarHBondContact O-CG2 3.41Å; T324-V327 PolarHBondContact O-N 3.03Å; T324-V327 VanDerWaalsContact O-N 3.12Å
325	Y	94.2	Very high	96.4	Very high	133 Å²	133	25.8 Å²	25.8	52%	0.522	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.8	176.9	72.4	-88	0	0	0	113.8	N322 V327	N322-Y325 WeakPolarHBondContact ND2-CA 2.83Å; N322-Y325 PolarHBondContact ND2-N 3.09Å; N322-Y325 WeakPolarHBondContact O-CD1 3.41Å; Y325-V327 VanDerWaalsContact C-N 3.27Å; Y325-V327 PolarHBondContact O-N 3.02Å
326	N	96.5	Very high	96.5	Very high	19 Å²	19	26.5 Å²	26.5	10%	0.102	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-5.9	175.5	-65.6	-57.6	0	0	0	114.1	N237 G240 T324 S328 R397	N237-N326 WeakPolarHBondContact O-CB 3.06Å; N237-N326 PolarHBondContact O-ND2 3.12Å; N237-N326 PolarHBondContact OD1-ND2 3.18Å; G240-N326 WeakPolarHBondContact CA-O 3.43Å; T324-N326 PolarHBondContact O-N 3.03Å; N326-S328 PolarHBondContact O-N 3.28Å; N326-R397 PolarHBondContact OD1-NE 2.88Å; N326-R397 VanDerWaalsContact OD1-NE 3.13Å
327	V	98.2	Very high	96.6	Very high	9 Å²	9	30.2 Å²	30.2	6%	0.055	15%	0.153	C	C	.	.			trans	-71.7	118.6	-175.1	177.6	0	0	0	0	111.4	G240 L242 M311 T324 Y325 R332 M335	G240-V327 WeakPolarHBondContact O-CA 3.45Å; G240-V327 WeakPolarHBondContact O-CG2 3.37Å; L242-V327 HydrophobicContact CD1-CG2 4.4Å; M311-V327 HydrophobicContact CB-CB 4.28Å; M311-V327 HydrophobicContact CB-CG1 3.86Å; M311-V327 HydrophobicContact SD-CG1 4.28Å; T324-V327 HydrophobicContact CG2-CG2 4.09Å; T324-V327 WeakPolarHBondContact O-CB 3.43Å; T324-V327 WeakPolarHBondContact O-CG2 3.41Å; T324-V327 PolarHBondContact O-N 3.03Å; T324-V327 VanDerWaalsContact O-N 3.12Å; Y325-V327 VanDerWaalsContact C-N 3.27Å; Y325-V327 PolarHBondContact O-N 3.02Å; V327-R332 HydrophobicContact CG1-CB 3.81Å; V327-M335 HydrophobicContact CG1-CE 3.87Å; V327-M335 HydrophobicContact CG2-CE 4.07Å
328	S	97.5	Very high	96.7	Very high	23 Å²	23	30.5 Å²	30.5	16%	0.161	15%	0.153	C	C	.	.			trans	-90.6	178.2	178.6	84	0	0	0	0	113.2	L310 N326 S330 T331 R332 E404	L310-S328 VanDerWaalsContact CD1-C 3.49Å; N326-S328 PolarHBondContact O-N 3.28Å; S328-S330 PolarHBondContact OG-N 2.86Å; S328-T331 WeakPolarHBondContact CA-OG1 3.5Å; S328-T331 PolarHBondContact N-OG1 3.44Å; S328-T331 PolarHBondContact O-OG1 2.93Å; S328-T331 PolarHBondContact OG-N 2.54Å; S328-T331 PolarHBondContact OG-OG1 3.49Å; S328-R332 VanDerWaalsContact O-CB 3.31Å; S328-R332 WeakPolarHBondContact O-CB 3.37Å; S328-R332 PolarHBondContact O-N 2.94Å; S328-E404 WeakPolarHBondContact CB-OE1 3.28Å; S328-E404 PolarHBondContact OG-OE1 3.07Å
329	T	97.3	Very high	97	Very high	69 Å²	69	30 Å²	30	42%	0.423	15%	0.151	S	C	.	.	H	α-helix	trans	-66.2	-41.8	178	-48.5	0	0	0	0	111	T333 E404	T329-T333 WeakPolarHBondContact O-CB 3.48Å; T329-T333 PolarHBondContact O-N 2.85Å; T329-T333 VanDerWaalsContact O-N 3.13Å; T329-T333 PolarHBondContact O-OG1 3.49Å; T329-E404 WeakPolarHBondContact CA-OE2 3.46Å; T329-E404 WeakPolarHBondContact CB-OE2 3.36Å; T329-E404 PolarHBondContact N-OE1 2.92Å; T329-E404 PolarHBondContact N-OE2 3.14Å; T329-E404 PolarHBondContact OG1-OE2 3.34Å
330	S	97.7	Very high	97.3	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.007	17%	0.174	C	C	.	.	H	α-helix	trans	-66.4	-51.9	178.7	-55.2	0	0	0	0	111.3	S328 R332 T333 I334 E404 A412	S328-S330 PolarHBondContact OG-N 2.86Å; S330-R332 PolarHBondContact O-N 3.34Å; S330-T333 WeakPolarHBondContact O-CA 3.3Å; S330-T333 WeakPolarHBondContact O-CB 3.47Å; S330-T333 PolarHBondContact O-N 2.92Å; S330-I334 VanDerWaalsContact O-CD1 3.3Å; S330-I334 WeakPolarHBondContact O-CD1 3.46Å; S330-I334 VanDerWaalsContact O-CG1 3.26Å; S330-I334 WeakPolarHBondContact O-CG1 3.38Å; S330-I334 PolarHBondContact O-N 2.97Å; S330-E404 WeakPolarHBondContact CA-OE1 3.4Å; S330-E404 WeakPolarHBondContact CB-OE1 3.46Å; S330-E404 PolarHBondContact N-OE1 3.08Å; S330-E404 WeakPolarHBondContact OG-CG 3.49Å; S330-E404 PolarHBondContact OG-OE1 3.47Å; S330-A412 WeakPolarHBondContact CB-O 3.42Å; S330-A412 PolarHBondContact OG-N 3.14Å; S330-A412 VanDerWaalsContact OG-N 3.1Å
331	T	98	Very high	97.5	Very high	5 Å²	5	38.9 Å²	38.9	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-62.6	-42.7	-176.6	47.4	0	0	0	0	111.8	G240 F241 S328 T333 I334 M335	G240-T331 WeakPolarHBondContact O-CB 3.32Å; G240-T331 PolarHBondContact O-OG1 2.98Å; G240-T331 VanDerWaalsContact O-OG1 3.12Å; F241-T331 HydrophobicContact CD1-CG2 4.03Å; F241-T331 HydrophobicContact CD2-CG2 4.4Å; F241-T331 HydrophobicContact CE1-CG2 3.83Å; F241-T331 HydrophobicContact CE2-CG2 4.21Å; F241-T331 HydrophobicContact CG-CG2 4.32Å; F241-T331 HydrophobicContact CZ-CG2 3.94Å; S328-T331 WeakPolarHBondContact CA-OG1 3.5Å; S328-T331 PolarHBondContact N-OG1 3.44Å; S328-T331 PolarHBondContact O-OG1 2.93Å; S328-T331 PolarHBondContact OG-N 2.54Å; S328-T331 PolarHBondContact OG-OG1 3.49Å; T331-T333 VanDerWaalsContact C-N 3.33Å; T331-T333 PolarHBondContact O-N 3.11Å; T331-I334 PolarHBondContact O-N 2.98Å; T331-M335 WeakPolarHBondContact O-CE 3.44Å; T331-M335 WeakPolarHBondContact O-CG 3.44Å; T331-M335 PolarHBondContact O-N 3.4Å
332	R	98	Very high	97.7	Very high	63 Å²	63	35 Å²	35	24%	0.238	17%	0.172	C	C	.	.	H	α-helix	trans	-57.4	-44.4	170.2	-174.3	-176.3	68	177	0.2	112.4	L310 M311 V327 S328 S330 M335 T336	L310-R332 WeakPolarHBondContact O-CD 3.29Å; L310-R332 PolarHBondContact O-NH1 2.97Å; M311-R332 HydrophobicContact CB-CG 4.39Å; V327-R332 HydrophobicContact CG1-CB 3.81Å; S328-R332 VanDerWaalsContact O-CB 3.31Å; S328-R332 WeakPolarHBondContact O-CB 3.37Å; S328-R332 PolarHBondContact O-N 2.94Å; S330-R332 PolarHBondContact O-N 3.34Å; R332-M335 PolarHBondContact O-N 2.95Å; R332-T336 WeakPolarHBondContact O-CB 3.46Å; R332-T336 PolarHBondContact O-N 2.74Å; R332-T336 PolarHBondContact O-OG1 3.45Å
333	T	97.8	Very high	97.8	Very high	54 Å²	54	35.6 Å²	35.6	33%	0.331	18%	0.175	S	C	.	.	H	α-helix	trans	-63.7	-46.5	-179.4	-58.6	0	0	0	0	110.9	T329 S330 T331 M335 T336 E337 L411	T329-T333 WeakPolarHBondContact O-CB 3.48Å; T329-T333 PolarHBondContact O-N 2.85Å; T329-T333 VanDerWaalsContact O-N 3.13Å; T329-T333 PolarHBondContact O-OG1 3.49Å; S330-T333 WeakPolarHBondContact O-CA 3.3Å; S330-T333 WeakPolarHBondContact O-CB 3.47Å; S330-T333 PolarHBondContact O-N 2.92Å; T331-T333 VanDerWaalsContact C-N 3.33Å; T331-T333 PolarHBondContact O-N 3.11Å; T333-M335 PolarHBondContact O-N 2.66Å; T333-T336 WeakPolarHBondContact O-CB 3.41Å; T333-T336 PolarHBondContact O-N 2.85Å; T333-E337 PolarHBondContact O-N 2.91Å; T333-L411 HydrophobicContact CG2-CD1 4.14Å
334	I	97.9	Very high	97.8	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-59.2	-48.1	176.6	-65.6	152.6	0	0	0	111	I234 F241 S330 T331 T336 E337 E338 L411 H413	I234-I334 HydrophobicContact CG2-CG2 3.97Å; F241-I334 HydrophobicContact CE1-CB 4.17Å; F241-I334 HydrophobicContact CE1-CD1 4.33Å; F241-I334 HydrophobicContact CE1-CG2 3.95Å; F241-I334 HydrophobicContact CZ-CD1 4.19Å; F241-I334 HydrophobicContact CZ-CG2 4.32Å; S330-I334 VanDerWaalsContact O-CD1 3.3Å; S330-I334 WeakPolarHBondContact O-CD1 3.46Å; S330-I334 VanDerWaalsContact O-CG1 3.26Å; S330-I334 WeakPolarHBondContact O-CG1 3.38Å; S330-I334 PolarHBondContact O-N 2.97Å; T331-I334 PolarHBondContact O-N 2.98Å; I334-T336 VanDerWaalsContact C-N 3.28Å; I334-T336 PolarHBondContact O-N 2.92Å; I334-E337 WeakPolarHBondContact O-CB 3.47Å; I334-E337 PolarHBondContact O-N 3.18Å; I334-E338 WeakPolarHBondContact O-CG 3.26Å; I334-E338 PolarHBondContact O-N 3.06Å; I334-L411 HydrophobicContact CD1-CD1 4.43Å; I334-L411 HydrophobicContact CD1-CD2 4.17Å; I334-L411 HydrophobicContact CD1-CG 4.41Å; I334-L411 HydrophobicContact CG1-CD1 4.21Å; I334-L411 HydrophobicContact CG1-CD2 3.93Å; I334-L411 HydrophobicContact CG1-CG 4.45Å; I334-H413 HydrophobicContact CD1-CB 3.59Å; I334-H413 VanDerWaalsContact CD1-CG 3.47Å; I334-H413 HydrophobicContact CG1-CB 4.44Å
335	M	98.5	Very high	97.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.5	-34	177.9	-67.9	-176	-71.9	0	0	112.2	I234 F241 L242 M311 V327 T331 R332 T333 E338 F339	I234-M335 HydrophobicContact CB-CG 4.18Å; I234-M335 HydrophobicContact CD1-CG 4.45Å; I234-M335 HydrophobicContact CG2-CG 4.23Å; F241-M335 HydrophobicContact CB-SD 4.34Å; F241-M335 HydrophobicContact CD1-CE 4.2Å; F241-M335 HydrophobicContact CD1-CG 3.82Å; F241-M335 HydrophobicContact CD1-SD 3.83Å; F241-M335 HydrophobicContact CE1-CG 4.25Å; L242-M335 HydrophobicContact CD1-CE 3.8Å; L242-M335 HydrophobicContact CD1-SD 3.53Å; L242-M335 VanDerWaalsContact CD1-SD 3.53Å; M311-M335 HydrophobicContact SD-CE 3.64Å; M311-M335 HydrophobicContact SD-SD 4.48Å; V327-M335 HydrophobicContact CG1-CE 3.87Å; V327-M335 HydrophobicContact CG2-CE 4.07Å; T331-M335 WeakPolarHBondContact O-CE 3.44Å; T331-M335 WeakPolarHBondContact O-CG 3.44Å; T331-M335 PolarHBondContact O-N 3.4Å; R332-M335 PolarHBondContact O-N 2.95Å; T333-M335 PolarHBondContact O-N 2.66Å; M335-E338 PolarHBondContact O-N 2.91Å; M335-F339 HydrophobicContact CB-CE2 4.27Å; M335-F339 WeakPolarHBondContact O-CD2 3.37Å; M335-F339 VanDerWaalsContact O-CG 3.26Å; M335-F339 WeakPolarHBondContact O-CG 3.2Å; M335-F339 PolarHBondContact O-N 2.88Å
336	T	98.3	Very high	98.1	Very high	31 Å²	31	31.1 Å²	31.1	19%	0.19	16%	0.163	C	C	.	.	H	α-helix	trans	-68.5	-35.5	174.7	-55.7	0	0	0	0	112.6	R332 T333 I334 K340	R332-T336 WeakPolarHBondContact O-CB 3.46Å; R332-T336 PolarHBondContact O-N 2.74Å; R332-T336 PolarHBondContact O-OG1 3.45Å; T333-T336 WeakPolarHBondContact O-CB 3.41Å; T333-T336 PolarHBondContact O-N 2.85Å; I334-T336 VanDerWaalsContact C-N 3.28Å; I334-T336 PolarHBondContact O-N 2.92Å; T336-K340 WeakPolarHBondContact O-CD 3.35Å; T336-K340 WeakPolarHBondContact O-CG 3.46Å; T336-K340 PolarHBondContact O-N 3.4Å
337	E	97.6	Very high	98.2	Very high	82 Å²	82	33 Å²	33	38%	0.383	17%	0.173	S	C	.	.	H	α-helix	trans	-63.2	-48.8	169	-69.8	-177.8	171.5	0	0	110.9	T333 I334 F339 K340 H341 K368	T333-E337 PolarHBondContact O-N 2.91Å; I334-E337 WeakPolarHBondContact O-CB 3.47Å; I334-E337 PolarHBondContact O-N 3.18Å; E337-F339 PolarHBondContact O-N 2.69Å; E337-K340 PolarHBondContact O-N 2.91Å; E337-K340 VanDerWaalsContact O-N 3.15Å; E337-H341 PolarHBondContact O-N 3.49Å; E337-K368 IonicContact OE2-NZ 2.63Å; E337-K368 PolarHBondContact OE2-NZ 2.81Å
338	E	98.4	Very high	98.2	Very high	11 Å²	11	35.1 Å²	35.1	5%	0.051	18%	0.182	C	C	.	.	H	α-helix	trans	-68	-33.5	-175.8	-68.4	-63.2	145.1	0	0	112.7	W228 R232 I234 I334 M335 H341 G342	W228-E338 HydrophobicContact CH2-CB 4.46Å; W228-E338 HydrophobicContact CZ2-CB 4.01Å; R232-E338 IonicContact CZ-OE2 3.49Å; R232-E338 IonicContact NE-OE2 3.71Å; R232-E338 PolarHBondContact NE-OE2 2.88Å; R232-E338 IonicContact NH2-OE1 2.66Å; R232-E338 PolarHBondContact NH2-OE1 2.74Å; R232-E338 VanDerWaalsContact NH2-OE1 3.13Å; R232-E338 IonicContact NH2-OE2 2.97Å; R232-E338 PolarHBondContact NH2-OE2 2.8Å; I234-E338 HydrophobicContact CD1-CB 4.03Å; I234-E338 HydrophobicContact CD1-CG 4.48Å; I234-E338 HydrophobicContact CG2-CG 4.49Å; I334-E338 WeakPolarHBondContact O-CG 3.26Å; I334-E338 PolarHBondContact O-N 3.06Å; M335-E338 PolarHBondContact O-N 2.91Å; E338-H341 PolarHBondContact O-N 3.22Å; E338-H341 IonicContact OE2-CD2 2.78Å; E338-G342 PolarHBondContact O-N 2.88Å
339	F	98.8	Very high	98.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.5	-39.3	170.3	-67.7	-42.4	0	0	0	112.7	W228 W247 L250 F270 F271 F274 M311 M335 E337 G342 L343	W228-F339 AromaticContact CH2-CD1 3.59Å; W228-F339 HydrophobicContact CH2-CD1 3.59Å; W228-F339 AromaticContact CH2-CE1 3.66Å; W228-F339 HydrophobicContact CH2-CE1 3.66Å; W228-F339 HydrophobicContact CZ2-CD1 4.41Å; W228-F339 HydrophobicContact CZ3-CD1 4.28Å; W228-F339 AromaticContact CZ3-CE1 3.96Å; W228-F339 HydrophobicContact CZ3-CE1 3.96Å; W247-F339 AromaticContact CH2-CE1 3.99Å; W247-F339 HydrophobicContact CH2-CE1 3.99Å; W247-F339 HydrophobicContact CH2-CZ 4.01Å; W247-F339 AromaticContact CZ3-CE1 3.74Å; W247-F339 HydrophobicContact CZ3-CE1 3.74Å; W247-F339 AromaticContact CZ3-CZ 3.85Å; W247-F339 HydrophobicContact CZ3-CZ 3.85Å; L250-F339 HydrophobicContact CD1-CZ 4.22Å; F270-F339 HydrophobicContact CE1-CD1 4.21Å; F270-F339 AromaticContact CE1-CE1 3.83Å; F270-F339 HydrophobicContact CE1-CE1 3.83Å; F270-F339 HydrophobicContact CZ-CE1 4.13Å; F271-F339 HydrophobicContact CD1-CD1 4.19Å; F274-F339 HydrophobicContact CB-CD1 4.3Å; F274-F339 HydrophobicContact CB-CD2 4.01Å; F274-F339 HydrophobicContact CB-CE1 4.28Å; F274-F339 HydrophobicContact CB-CE2 4Å; F274-F339 HydrophobicContact CB-CG 4.19Å; F274-F339 HydrophobicContact CB-CZ 4.14Å; M311-F339 HydrophobicContact CE-CE2 3.84Å; M311-F339 HydrophobicContact CE-CZ 4.13Å; M335-F339 HydrophobicContact CB-CE2 4.27Å; M335-F339 WeakPolarHBondContact O-CD2 3.37Å; M335-F339 VanDerWaalsContact O-CG 3.26Å; M335-F339 WeakPolarHBondContact O-CG 3.2Å; M335-F339 PolarHBondContact O-N 2.88Å; E337-F339 PolarHBondContact O-N 2.69Å; F339-G342 PolarHBondContact O-N 2.67Å; F339-L343 PolarHBondContact O-N 3.36Å
340	K	98.6	Very high	98.1	Very high	122 Å²	122	33.3 Å²	33.3	53%	0.53	17%	0.168	S	C	.	.	H	α-helix	trans	-68.5	-38.2	176.7	-70	169	-176.2	177.3	0	111.4	T336 E337 L343 S344	T336-K340 WeakPolarHBondContact O-CD 3.35Å; T336-K340 WeakPolarHBondContact O-CG 3.46Å; T336-K340 PolarHBondContact O-N 3.4Å; E337-K340 PolarHBondContact O-N 2.91Å; E337-K340 VanDerWaalsContact O-N 3.15Å; K340-L343 PolarHBondContact O-N 3.16Å; K340-S344 PolarHBondContact O-N 3.28Å; K340-S344 VanDerWaalsContact O-N 3.09Å
341	H	98.3	Very high	98	Very high	80 Å²	80	38.6 Å²	38.6	37%	0.37	19%	0.192	S	C	.	.	H	α-helix	trans	-63.8	-46.3	172.2	-178.8	63.3	0	0	0	111.8	R232 E337 E338 L343 S344 V345	R232-H341 PolarHBondContact NH1-NE2 2.76Å; R232-H341 PolarHBondContact NH2-CD2 3.22Å; E337-H341 PolarHBondContact O-N 3.49Å; E338-H341 PolarHBondContact O-N 3.22Å; E338-H341 IonicContact OE2-CD2 2.78Å; H341-L343 VanDerWaalsContact C-N 3.32Å; H341-L343 PolarHBondContact O-N 3.41Å; H341-S344 PolarHBondContact O-N 2.95Å; H341-V345 WeakPolarHBondContact O-CG2 3.42Å; H341-V345 PolarHBondContact O-N 3.17Å
342	G	98.6	Very high	97.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.4	-37.2	175.3	0	0	0	0	0	113.4	F271 E338 F339 T346	F271-G342 VanDerWaalsContact CD2-C 3.47Å; F271-G342 WeakPolarHBondContact CD2-O 3.43Å; E338-G342 PolarHBondContact O-N 2.88Å; F339-G342 PolarHBondContact O-N 2.67Å; G342-T346 WeakPolarHBondContact O-CB 3.46Å; G342-T346 WeakPolarHBondContact O-CG2 3.47Å; G342-T346 PolarHBondContact O-N 3.34Å; G342-T346 PolarHBondContact O-OG1 3.43Å
343	L	98.8	Very high	97.8	Very high	23 Å²	23	44.8 Å²	44.8	12%	0.12	24%	0.236	C	C	.	.	H	α-helix	trans	-61.8	-54.3	172.1	179.5	57.2	0	0	0	110.5	F271 L272 F339 K340 H341 V345 T346 D347	F271-L343 HydrophobicContact CB-CB 3.89Å; L272-L343 HydrophobicContact CB-CD1 4.02Å; L272-L343 HydrophobicContact CD1-CD1 4.21Å; L272-L343 HydrophobicContact CD1-CD2 4.12Å; F339-L343 PolarHBondContact O-N 3.36Å; K340-L343 PolarHBondContact O-N 3.16Å; H341-L343 VanDerWaalsContact C-N 3.32Å; H341-L343 PolarHBondContact O-N 3.41Å; L343-V345 VanDerWaalsContact C-N 3.31Å; L343-V345 PolarHBondContact O-N 3.43Å; L343-T346 PolarHBondContact O-N 3.1Å; L343-T346 VanDerWaalsContact O-N 3.12Å; L343-T346 PolarHBondContact O-OG1 3.04Å; L343-T346 VanDerWaalsContact O-OG1 3.07Å; L343-D347 WeakPolarHBondContact CD1-OD2 3.42Å; L343-D347 WeakPolarHBondContact O-CB 3.44Å; L343-D347 PolarHBondContact O-N 3.44Å
344	S	98.6	Very high	97.7	Very high	60 Å²	60	42.9 Å²	42.9	42%	0.42	23%	0.225	S	C	.	.	H	α-helix	trans	-55.8	-42.9	179	-169	0	0	0	0	112.8	K340 H341 E348	K340-S344 PolarHBondContact O-N 3.28Å; K340-S344 VanDerWaalsContact O-N 3.09Å; H341-S344 PolarHBondContact O-N 2.95Å; S344-E348 WeakPolarHBondContact O-CG 3.37Å; S344-E348 PolarHBondContact O-N 2.84Å; S344-E348 VanDerWaalsContact O-N 3.08Å
345	V	98.6	Very high	97.7	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-68.4	-39.3	178.7	173.1	0	0	0	0	111.7	H341 L343 E348 I349 K358 L359	H341-V345 WeakPolarHBondContact O-CG2 3.42Å; H341-V345 PolarHBondContact O-N 3.17Å; L343-V345 VanDerWaalsContact C-N 3.31Å; L343-V345 PolarHBondContact O-N 3.43Å; V345-E348 PolarHBondContact O-N 3.21Å; V345-I349 HydrophobicContact CG1-CD1 3.91Å; V345-I349 WeakPolarHBondContact O-CD1 3.44Å; V345-I349 VanDerWaalsContact O-CG1 3.25Å; V345-I349 WeakPolarHBondContact O-CG1 3.48Å; V345-I349 PolarHBondContact O-N 2.91Å; V345-K358 HydrophobicContact CG1-CB 4.26Å; V345-K358 HydrophobicContact CG1-CD 4.29Å; V345-K358 HydrophobicContact CG1-CG 4.05Å; V345-L359 HydrophobicContact CB-CD1 4.4Å; V345-L359 HydrophobicContact CG1-CB 4.07Å; V345-L359 HydrophobicContact CG1-CD1 4.17Å
346	T	98.6	Very high	97.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-74.1	-32.3	177	54	0	0	0	0	113.3	V267 H268 F271 G342 L343 I349 L350 W356 L359	V267-T346 HydrophobicContact CG1-CG2 4.21Å; H268-T346 PolarHBondContact ND1-OG1 3.19Å; F271-T346 HydrophobicContact CD2-CG2 3.75Å; F271-T346 HydrophobicContact CE2-CG2 3.82Å; G342-T346 WeakPolarHBondContact O-CB 3.46Å; G342-T346 WeakPolarHBondContact O-CG2 3.47Å; G342-T346 PolarHBondContact O-N 3.34Å; G342-T346 PolarHBondContact O-OG1 3.43Å; L343-T346 PolarHBondContact O-N 3.1Å; L343-T346 VanDerWaalsContact O-N 3.12Å; L343-T346 PolarHBondContact O-OG1 3.04Å; L343-T346 VanDerWaalsContact O-OG1 3.07Å; T346-I349 PolarHBondContact O-N 3.22Å; T346-L350 WeakPolarHBondContact O-CG 3.19Å; T346-L350 PolarHBondContact O-N 3.06Å; T346-W356 HydrophobicContact CG2-CH2 4.42Å; T346-W356 HydrophobicContact CG2-CZ3 3.98Å; T346-L359 HydrophobicContact CG2-CD2 4.19Å
347	D	98.3	Very high	97.7	Very high	59 Å²	59	49.2 Å²	49.2	32%	0.316	26%	0.259	S	S	.	.	H	α-helix	trans	-60.6	-43.8	169.6	-79.3	-36.7	0	0	0	111.1	H268 L343 Q351	H268-D347 IonicContact CE1-OD1 3.72Å; H268-D347 PolarHBondContact CE1-OD1 2.88Å; H268-D347 IonicContact ND1-OD1 3.07Å; L343-D347 WeakPolarHBondContact CD1-OD2 3.42Å; L343-D347 WeakPolarHBondContact O-CB 3.44Å; L343-D347 PolarHBondContact O-N 3.44Å; D347-Q351 WeakPolarHBondContact O-CB 3.31Å; D347-Q351 WeakPolarHBondContact O-CG 3.14Å; D347-Q351 PolarHBondContact O-N 3.37Å; D347-Q351 VanDerWaalsContact O-N 3.08Å; D347-Q351 PolarHBondContact O-NE2 2.85Å
348	E	98.4	Very high	97.7	Very high	53 Å²	53	48.1 Å²	48.1	25%	0.248	25%	0.253	C	S	.	.	H	α-helix	trans	-62.9	-42.5	173.7	-73.4	176.3	-136.3	0	0	112.7	S344 V345 Q351 G352 K353 A354 K358	S344-E348 WeakPolarHBondContact O-CG 3.37Å; S344-E348 PolarHBondContact O-N 2.84Å; S344-E348 VanDerWaalsContact O-N 3.08Å; V345-E348 PolarHBondContact O-N 3.21Å; E348-Q351 CarbonylContact O-C 3.54Å; E348-Q351 PolarHBondContact O-N 3.45Å; E348-G352 PolarHBondContact O-N 3.31Å; E348-K353 HydrophobicContact CB-CB 4.22Å; E348-K353 WeakPolarHBondContact O-CB 3.34Å; E348-K353 PolarHBondContact O-N 2.75Å; E348-A354 HydrophobicContact CB-CB 3.93Å; E348-A354 PolarHBondContact O-N 3.34Å; E348-K358 IonicContact OE1-NZ 3.68Å; E348-K358 PolarHBondContact OE1-NZ 2.83Å; E348-K358 IonicContact OE2-NZ 3.19Å; E348-K358 PolarHBondContact OE2-NZ 2.71Å
349	I	98.1	Very high	97.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-48.6	179	-69.3	161.5	0	0	0	110.8	Y36 V345 T346 Q351 G352 A354 W356	Y36-I349 HydrophobicContact CD1-CG2 3.99Å; Y36-I349 HydrophobicContact CE1-CG2 3.93Å; Y36-I349 WeakPolarHBondContact CE1-O 3.45Å; Y36-I349 VanDerWaalsContact CZ-O 3.23Å; Y36-I349 PolarHBondContact OH-O 2.96Å; V345-I349 HydrophobicContact CG1-CD1 3.91Å; V345-I349 WeakPolarHBondContact O-CD1 3.44Å; V345-I349 VanDerWaalsContact O-CG1 3.25Å; V345-I349 WeakPolarHBondContact O-CG1 3.48Å; V345-I349 PolarHBondContact O-N 2.91Å; T346-I349 PolarHBondContact O-N 3.22Å; I349-Q351 PolarHBondContact O-N 3.41Å; I349-G352 PolarHBondContact O-N 3.14Å; I349-A354 WeakPolarHBondContact CA-O 3.22Å; I349-A354 HydrophobicContact CG1-CB 3.89Å; I349-W356 HydrophobicContact CD1-CD2 4.11Å; I349-W356 HydrophobicContact CD1-CE3 3.77Å; I349-W356 HydrophobicContact CD1-CZ3 4.23Å; I349-W356 HydrophobicContact CG2-CD2 4.13Å; I349-W356 HydrophobicContact CG2-CZ2 4.15Å
350	L	93.6	Very high	97.7	Very high	53 Å²	53	47.7 Å²	47.7	28%	0.277	25%	0.251	S	S	.	.	H	α-helix	trans	-68.9	-18.6	178.8	-65.4	180	0	0	0	113.3	Y36 H268 T346 G352	Y36-L350 HydrophobicContact CD2-CD2 4.01Å; Y36-L350 HydrophobicContact CE2-CD2 4.35Å; Y36-L350 HydrophobicContact CG-CD2 4.2Å; H268-L350 HydrophobicContact CB-CD1 3.71Å; T346-L350 WeakPolarHBondContact O-CG 3.19Å; T346-L350 PolarHBondContact O-N 3.06Å; L350-G352 VanDerWaalsContact C-N 3.35Å
351	Q	95.3	Very high	97.5	Very high	112 Å²	112	47.2 Å²	47.2	52%	0.523	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	1.2	169.4	-70.8	168.4	51.9	0	0	113.5	D347 E348 I349 K353	D347-Q351 WeakPolarHBondContact O-CB 3.31Å; D347-Q351 WeakPolarHBondContact O-CG 3.14Å; D347-Q351 PolarHBondContact O-N 3.37Å; D347-Q351 VanDerWaalsContact O-N 3.08Å; D347-Q351 PolarHBondContact O-NE2 2.85Å; E348-Q351 CarbonylContact O-C 3.54Å; E348-Q351 PolarHBondContact O-N 3.45Å; I349-Q351 PolarHBondContact O-N 3.41Å; Q351-K353 VanDerWaalsContact C-N 3.26Å; Q351-K353 HydrophobicContact CB-CD 4.02Å; Q351-K353 HydrophobicContact CB-CG 4.13Å; Q351-K353 PolarHBondContact O-N 3.33Å
352	G	94.4	Very high	97.2	Very high	53 Å²	53	45.8 Å²	45.8	55%	0.546	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	15.3	-177.7	0	0	0	0	0	114.7	Y36 E348 I349 L350	Y36-G352 PolarHBondContact OH-N 3.31Å; E348-G352 PolarHBondContact O-N 3.31Å; I349-G352 PolarHBondContact O-N 3.14Å; L350-G352 VanDerWaalsContact C-N 3.35Å
353	K	97.4	Very high	96.6	Very high	145 Å²	145	47.4 Å²	47.4	63%	0.63	26%	0.259	S	S	*	.	S	Bend	trans	-92.2	-12.4	-178	-63.9	172.8	179.8	170.8	0	113.3	E348 Q351	E348-K353 HydrophobicContact CB-CB 4.22Å; E348-K353 WeakPolarHBondContact O-CB 3.34Å; E348-K353 PolarHBondContact O-N 2.75Å; Q351-K353 VanDerWaalsContact C-N 3.26Å; Q351-K353 HydrophobicContact CB-CD 4.02Å; Q351-K353 HydrophobicContact CB-CG 4.13Å; Q351-K353 PolarHBondContact O-N 3.33Å
354	A	97.5	Very high	96.1	Very high	14 Å²	14	50.7 Å²	50.7	12%	0.116	28%	0.277	C	S	.	.	S	Bend	trans	-149.2	166.4	179.1	0	0	0	0	0	111	E348 I349 K358	E348-A354 HydrophobicContact CB-CB 3.93Å; E348-A354 PolarHBondContact O-N 3.34Å; I349-A354 WeakPolarHBondContact CA-O 3.22Å; I349-A354 HydrophobicContact CG1-CB 3.89Å; A354-K358 HydrophobicContact CB-CD 3.82Å
355	E	97.6	Very high	95.8	Very high	95 Å²	95	48.6 Å²	48.6	44%	0.444	26%	0.26	S	S	.	.			trans	-117.4	156.8	174.4	-65.6	-68	171.6	0	0	110.7	K39 P357 K358	K39-E355 IonicContact NZ-OE1 3.83Å; K39-E355 PolarHBondContact NZ-OE1 3.49Å; K39-E355 IonicContact NZ-OE2 2.9Å; K39-E355 PolarHBondContact NZ-OE2 3.03Å; E355-P357 VanDerWaalsContact C-N 3.34Å; E355-P357 WeakPolarHBondContact O-CD 3.47Å; E355-P357 VanDerWaalsContact O-N 3.12Å; E355-K358 WeakPolarHBondContact O-CB 3.42Å; E355-K358 PolarHBondContact O-N 2.71Å
356	W	98.3	Very high	95.6	Very high	1 Å²	1	49.3 Å²	49.3	0%	0.004	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-50	-34.6	-175	-71.7	111.1	0	0	0	117.3	Y36 L40 A43 A264 V267 T346 I349 K358 L359	Y36-W356 PolarHBondContact O-NE1 2.81Å; L40-W356 HydrophobicContact CB-CD2 4.08Å; L40-W356 HydrophobicContact CB-CG 4.23Å; L40-W356 HydrophobicContact CB-CZ2 4.23Å; L40-W356 HydrophobicContact CD1-CD2 3.84Å; L40-W356 HydrophobicContact CD1-CE3 3.8Å; L40-W356 HydrophobicContact CD1-CG 4.24Å; L40-W356 HydrophobicContact CD1-CZ3 4.22Å; L40-W356 HydrophobicContact CD2-CH2 4.45Å; L40-W356 HydrophobicContact CD2-CZ2 4.43Å; L40-W356 HydrophobicContact CG-CD2 4.47Å; A43-W356 HydrophobicContact CB-CB 3.57Å; A264-W356 HydrophobicContact CB-CH2 4.36Å; A264-W356 HydrophobicContact CB-CZ2 3.73Å; V267-W356 HydrophobicContact CB-CH2 4.28Å; V267-W356 HydrophobicContact CB-CZ3 4.37Å; V267-W356 HydrophobicContact CG1-CH2 4.18Å; V267-W356 HydrophobicContact CG1-CZ3 3.79Å; T346-W356 HydrophobicContact CG2-CH2 4.42Å; T346-W356 HydrophobicContact CG2-CZ3 3.98Å; I349-W356 HydrophobicContact CD1-CD2 4.11Å; I349-W356 HydrophobicContact CD1-CE3 3.77Å; I349-W356 HydrophobicContact CD1-CZ3 4.23Å; I349-W356 HydrophobicContact CG2-CD2 4.13Å; I349-W356 HydrophobicContact CG2-CZ2 4.15Å; W356-K358 PolarHBondContact O-N 3.02Å; W356-K358 VanDerWaalsContact O-N 3.07Å; W356-L359 HydrophobicContact CE3-CD2 3.94Å; W356-L359 HydrophobicContact CZ3-CD2 3.84Å; W356-L359 WeakPolarHBondContact O-CB 3.21Å; W356-L359 PolarHBondContact O-N 2.84Å
357	P	98.1	Very high	95.2	Very high	69 Å²	69	52.8 Å²	52.8	45%	0.448	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-53.9	-29.3	176.1	-29.4	37.7	0	0	0	114.2	A43 E355 L359 F360 E361	A43-P357 HydrophobicContact CB-CG 4.08Å; E355-P357 VanDerWaalsContact C-N 3.34Å; E355-P357 WeakPolarHBondContact O-CD 3.47Å; E355-P357 VanDerWaalsContact O-N 3.12Å; P357-L359 PolarHBondContact O-N 3.34Å; P357-F360 CarbonylContact O-C 3.55Å; P357-F360 PolarHBondContact O-N 3.1Å; P357-E361 PolarHBondContact O-N 3.33Å
358	K	97.8	Very high	94.8	Very high	60 Å²	60	54.2 Å²	54.2	26%	0.261	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-59.3	-31.2	175.8	-173.2	177.3	177.6	-180	0	112.8	V345 E348 A354 E355 W356 F360	V345-K358 HydrophobicContact CG1-CB 4.26Å; V345-K358 HydrophobicContact CG1-CD 4.29Å; V345-K358 HydrophobicContact CG1-CG 4.05Å; E348-K358 IonicContact OE1-NZ 3.68Å; E348-K358 PolarHBondContact OE1-NZ 2.83Å; E348-K358 IonicContact OE2-NZ 3.19Å; E348-K358 PolarHBondContact OE2-NZ 2.71Å; A354-K358 HydrophobicContact CB-CD 3.82Å; E355-K358 WeakPolarHBondContact O-CB 3.42Å; E355-K358 PolarHBondContact O-N 2.71Å; W356-K358 PolarHBondContact O-N 3.02Å; W356-K358 VanDerWaalsContact O-N 3.07Å; K358-F360 VanDerWaalsContact C-N 3.31Å
359	L	98.3	Very high	94.6	Very high	1 Å²	1	52 Å²	52	1%	0.005	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-71.1	-28.1	176.7	-174.1	62.3	0	0	0	112.1	V267 F271 V345 T346 W356 P357	V267-L359 HydrophobicContact CG1-CD2 3.9Å; F271-L359 HydrophobicContact CE2-CD1 3.88Å; F271-L359 HydrophobicContact CE2-CD2 4.04Å; F271-L359 HydrophobicContact CZ-CD1 4Å; F271-L359 HydrophobicContact CZ-CD2 4.44Å; V345-L359 HydrophobicContact CB-CD1 4.4Å; V345-L359 HydrophobicContact CG1-CB 4.07Å; V345-L359 HydrophobicContact CG1-CD1 4.17Å; T346-L359 HydrophobicContact CG2-CD2 4.19Å; W356-L359 HydrophobicContact CE3-CD2 3.94Å; W356-L359 HydrophobicContact CZ3-CD2 3.84Å; W356-L359 WeakPolarHBondContact O-CB 3.21Å; W356-L359 PolarHBondContact O-N 2.84Å; P357-L359 PolarHBondContact O-N 3.34Å
360	F	97.8	Very high	94.4	Very high	1 Å²	1	60 Å²	60	0%	0.004	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-98.9	9.1	-177.8	-48.8	-52.1	0	0	0	113.3	L40 M44 F47 L227 W228 R231 P357 K358	L40-F360 HydrophobicContact CD1-CE2 4.32Å; L40-F360 HydrophobicContact CD1-CZ 3.91Å; M44-F360 HydrophobicContact CG-CE2 3.79Å; M44-F360 HydrophobicContact CG-CZ 3.81Å; M44-F360 HydrophobicContact SD-CZ 4.22Å; F47-F360 HydrophobicContact CE2-CB 4.19Å; F47-F360 HydrophobicContact CE2-CD2 4.17Å; F47-F360 HydrophobicContact CE2-CG 4.5Å; F47-F360 HydrophobicContact CZ-CB 3.98Å; L227-F360 HydrophobicContact CB-CD1 4.4Å; L227-F360 HydrophobicContact CB-CE1 4.33Å; L227-F360 HydrophobicContact CD2-CD1 3.74Å; L227-F360 HydrophobicContact CD2-CD2 4Å; L227-F360 HydrophobicContact CD2-CE1 3.86Å; L227-F360 HydrophobicContact CD2-CE2 4.11Å; L227-F360 HydrophobicContact CD2-CG 3.82Å; L227-F360 HydrophobicContact CD2-CZ 4.04Å; L227-F360 HydrophobicContact CG-CD1 3.78Å; L227-F360 HydrophobicContact CG-CE1 4.1Å; L227-F360 HydrophobicContact CG-CG 4.18Å; W228-F360 HydrophobicContact CB-CD1 4.33Å; W228-F360 HydrophobicContact CB-CE1 4.28Å; R231-F360 PolarHBondContact NE-O 3.27Å; R231-F360 PolarHBondContact NH2-O 3.41Å; P357-F360 CarbonylContact O-C 3.55Å; P357-F360 PolarHBondContact O-N 3.1Å; K358-F360 VanDerWaalsContact C-N 3.31Å
361	E	94.8	Very high	94.4	Very high	111 Å²	111	58.9 Å²	58.9	52%	0.519	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-68.2	127.8	169.8	-75	-178.4	-151.8	0	0	110.8	R232 P357	R232-E361 WeakPolarHBondContact CD-O 3.44Å; R232-E361 PolarHBondContact NH1-O 3.34Å; P357-E361 PolarHBondContact O-N 3.33Å
362	P	91.8	Very high	94.4	Very high	50 Å²	50	53.5 Å²	53.5	33%	0.325	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-73.1	144.3	178.3	31	-34.2	0	0	0	110.9	R231	R231-P362 VanDerWaalsContact O-CA 3.3Å; R231-P362 WeakPolarHBondContact O-CA 3.4Å; R231-P362 WeakPolarHBondContact O-CB 3.36Å
363	P	87.2	Confident	94.4	Very high	34 Å²	34	51 Å²	51	22%	0.221	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-65.1	146.9	175.1	28.9	-34.4	0	0	0	109.9	R231 F365	R231-P363 WeakPolarHBondContact O-CD 3.25Å; P363-F365 PolarHBondContact O-N 2.97Å
364	N	87.3	Confident	94.3	Very high	93 Å²	93	44.1 Å²	44.1	50%	0.497	22%	0.219	S	C	.	.			trans	-75.4	66.3	173.1	-61.7	-58.9	0	0	0	110	F366 Q367 K368	N364-F366 PolarHBondContact O-N 2.76Å; N364-Q367 HydrophobicContact CB-CB 3.96Å; N364-Q367 HydrophobicContact CB-CG 4.31Å; N364-Q367 CarbonylContact O-C 3.58Å; N364-Q367 WeakPolarHBondContact O-CA 3.49Å; N364-Q367 PolarHBondContact O-N 3.19Å; N364-K368 PolarHBondContact O-N 2.76Å
365	F	92.9	Very high	94.2	Very high	15 Å²	15	43.4 Å²	43.4	7%	0.066	21%	0.214	C	C	.	.	H	α-helix	trans	-51.6	-53.3	-173.2	175.2	-88.5	0	0	0	111.8	P363 Q367 K368 Y369 Y372 H413 N415 F436	P363-F365 PolarHBondContact O-N 2.97Å; F365-Q367 PolarHBondContact O-N 2.91Å; F365-K368 PolarHBondContact O-N 2.92Å; F365-Y369 HydrophobicContact CD2-CE2 4.17Å; F365-Y369 HydrophobicContact CE2-CD2 4.47Å; F365-Y369 HydrophobicContact CE2-CE2 4.06Å; F365-Y372 HydrophobicContact CD1-CE1 4.18Å; F365-Y372 AromaticContact CE1-CD1 3.95Å; F365-Y372 HydrophobicContact CE1-CD1 3.95Å; F365-Y372 AromaticContact CE1-CE1 3.75Å; F365-Y372 HydrophobicContact CE1-CE1 3.75Å; F365-Y372 HydrophobicContact CZ-CD1 4.4Å; F365-Y372 HydrophobicContact CZ-CE1 4.32Å; F365-Y372 PolarHBondContact O-OH 2.99Å; F365-H413 AromaticContact CD2-CE1 3.86Å; F365-H413 AromaticContact CD2-ND1 3.94Å; F365-H413 HydrophobicContact CE2-CB 4.3Å; F365-H413 AromaticContact CE2-CD2 3.93Å; F365-H413 AromaticContact CE2-CE1 3.93Å; F365-H413 AromaticContact CE2-CG 3.73Å; F365-H413 AromaticContact CE2-ND1 3.72Å; F365-H413 WeakPolarHBondContact CE2-O 3.12Å; F365-H413 WeakPolarHBondContact CZ-O 3.39Å; F365-N415 HydrophobicContact CD1-CB 4.17Å; F365-N415 HydrophobicContact CD2-CB 4.29Å; F365-N415 HydrophobicContact CE1-CB 3.83Å; F365-N415 HydrophobicContact CE2-CB 3.94Å; F365-N415 HydrophobicContact CG-CB 4.41Å; F365-N415 HydrophobicContact CZ-CB 3.71Å; F365-F436 HydrophobicContact CE1-CB 3.92Å; F365-F436 WeakPolarHBondContact CZ-O 3.45Å
366	F	93.4	Very high	94	Very high	16 Å²	16	40.2 Å²	40.2	7%	0.07	20%	0.201	C	C	.	.	H	α-helix	trans	-63.9	-3.9	176.6	-57.1	-58.9	0	0	0	114.5	N364 Y372 F419 F436 L491 L495 L499	N364-F366 PolarHBondContact O-N 2.76Å; F366-Y372 WeakPolarHBondContact CA-OH 3.46Å; F366-Y372 PolarHBondContact O-OH 3.19Å; F366-Y372 VanDerWaalsContact O-OH 3.1Å; F366-F419 HydrophobicContact CE2-CZ 4.1Å; F366-F419 HydrophobicContact CZ-CE1 4.43Å; F366-F419 AromaticContact CZ-CE2 3.81Å; F366-F419 HydrophobicContact CZ-CE2 3.81Å; F366-F419 AromaticContact CZ-CZ 3.71Å; F366-F419 HydrophobicContact CZ-CZ 3.71Å; F366-F436 HydrophobicContact CE1-CB 3.95Å; F366-F436 HydrophobicContact CE1-CD1 4.1Å; F366-F436 HydrophobicContact CE1-CD2 4.05Å; F366-F436 AromaticContact CE1-CG 3.77Å; F366-F436 HydrophobicContact CE1-CG 3.77Å; F366-F436 HydrophobicContact CZ-CD2 4.44Å; F366-L491 HydrophobicContact CB-CD1 3.94Å; F366-L491 HydrophobicContact CD1-CD1 4.08Å; F366-L491 HydrophobicContact CG-CD1 4.45Å; F366-L495 HydrophobicContact CD1-CD1 3.49Å; F366-L495 VanDerWaalsContact CD1-CD1 3.49Å; F366-L495 HydrophobicContact CD2-CD1 4.14Å; F366-L495 HydrophobicContact CE1-CD1 3.3Å; F366-L495 HydrophobicContact CE2-CD1 3.97Å; F366-L495 HydrophobicContact CG-CD1 3.92Å; F366-L495 HydrophobicContact CZ-CD1 3.55Å; F366-L495 HydrophobicContact CZ-CD2 4.33Å; F366-L499 HydrophobicContact CD2-CB 4.27Å; F366-L499 HydrophobicContact CE2-CB 4.31Å
367	Q	90.4	Very high	93.8	Very high	74 Å²	74	40.2 Å²	40.2	35%	0.346	20%	0.2	S	C	.	.	H	α-helix	trans	-114.7	-18.2	173.1	-55.7	-169.7	-0.2	0	0	114.4	N364 F365 K488 V500	N364-Q367 HydrophobicContact CB-CB 3.96Å; N364-Q367 HydrophobicContact CB-CG 4.31Å; N364-Q367 CarbonylContact O-C 3.58Å; N364-Q367 WeakPolarHBondContact O-CA 3.49Å; N364-Q367 PolarHBondContact O-N 3.19Å; F365-Q367 PolarHBondContact O-N 2.91Å; Q367-K488 PolarHBondContact O-NZ 2.93Å; Q367-V500 PolarHBondContact NE2-O 2.93Å
368	K	91.6	Very high	93.6	Very high	89 Å²	89	37.7 Å²	37.7	39%	0.387	18%	0.184	S	C	.	.	H	α-helix	trans	-68.1	-37.6	-178.3	-176	171.7	178.5	178.5	0	112.1	E337 N364 F365	E337-K368 IonicContact OE2-NZ 2.63Å; E337-K368 PolarHBondContact OE2-NZ 2.81Å; N364-K368 PolarHBondContact O-N 2.76Å; F365-K368 PolarHBondContact O-N 2.92Å
369	Y	94.2	Very high	93.3	Very high	6 Å²	6	34.8 Å²	34.8	2%	0.024	17%	0.172	C	C	.	.			trans	-104.3	152.7	-176.7	-52.4	-85.3	0	0	0	112.7	F365 Y372 L411 H413 I440 K488	F365-Y369 HydrophobicContact CD2-CE2 4.17Å; F365-Y369 HydrophobicContact CE2-CD2 4.47Å; F365-Y369 HydrophobicContact CE2-CE2 4.06Å; Y369-Y372 WeakPolarHBondContact CA-OH 3.4Å; Y369-Y372 AromaticContact CD2-CE1 3.97Å; Y369-Y372 HydrophobicContact CD2-CE1 3.97Å; Y369-Y372 HydrophobicContact CG-CE1 4.34Å; Y369-Y372 PolarHBondContact N-OH 2.82Å; Y369-Y372 VanDerWaalsContact O-CE2 3.3Å; Y369-Y372 WeakPolarHBondContact O-CE2 3.49Å; Y369-Y372 PolarHBondContact O-OH 3.26Å; Y369-L411 HydrophobicContact CE1-CD2 3.96Å; Y369-H413 HydrophobicContact CE1-CB 4.38Å; Y369-H413 HydrophobicContact CE2-CB 4.13Å; Y369-H413 AromaticContact CE2-ND1 3.61Å; Y369-H413 AromaticContact CZ-ND1 3.52Å; Y369-H413 PolarHBondContact OH-ND1 3.36Å; Y369-I440 HydrophobicContact CD1-CD1 4.29Å; Y369-I440 HydrophobicContact CD1-CG1 3.65Å; Y369-I440 HydrophobicContact CE1-CD1 3.84Å; Y369-I440 HydrophobicContact CE1-CG1 3.63Å; Y369-K488 WeakPolarHBondContact O-CD 3.36Å
370	K	92.8	Very high	92.9	Very high	168 Å²	168	37.1 Å²	37.1	73%	0.73	19%	0.188	S	C	*	.	S	Bend	trans	-85.3	-28	174.4	-72	-179	179.1	-178.5	0	112.6	K488	K370-K488 PolarHBondContact O-N 2.98Å
371	H	93.8	Very high	92.4	Very high	29 Å²	29	39.9 Å²	39.9	13%	0.134	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	145.1	-173.7	-61.8	-91.8	0	0	0	109.2	I439 F441 H485	H371-I439 HydrophobicContact CB-CB 4.41Å; H371-I439 PolarHBondContact O-N 3.08Å; H371-F441 HydrophobicContact CB-CE2 3.9Å; H371-F441 AromaticContact CD2-CD2 3.99Å; H371-F441 AromaticContact CD2-CE2 3.84Å; H371-F441 AromaticContact CG-CE2 3.71Å; H371-H485 AromaticContact CE1-NE2 3.96Å; H371-H485 AromaticContact ND1-NE2 3.32Å; H371-H485 PolarHBondContact ND1-NE2 3.37Å
372	Y	95.3	Very high	92	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	153.2	175.9	-54.2	-104.2	0	0	0	109.3	F365 F366 Y369 I437 V486 K488 L491	F365-Y372 HydrophobicContact CD1-CE1 4.18Å; F365-Y372 AromaticContact CE1-CD1 3.95Å; F365-Y372 HydrophobicContact CE1-CD1 3.95Å; F365-Y372 AromaticContact CE1-CE1 3.75Å; F365-Y372 HydrophobicContact CE1-CE1 3.75Å; F365-Y372 HydrophobicContact CZ-CD1 4.4Å; F365-Y372 HydrophobicContact CZ-CE1 4.32Å; F365-Y372 PolarHBondContact O-OH 2.99Å; F366-Y372 WeakPolarHBondContact CA-OH 3.46Å; F366-Y372 PolarHBondContact O-OH 3.19Å; F366-Y372 VanDerWaalsContact O-OH 3.1Å; Y369-Y372 WeakPolarHBondContact CA-OH 3.4Å; Y369-Y372 AromaticContact CD2-CE1 3.97Å; Y369-Y372 HydrophobicContact CD2-CE1 3.97Å; Y369-Y372 HydrophobicContact CG-CE1 4.34Å; Y369-Y372 PolarHBondContact N-OH 2.82Å; Y369-Y372 VanDerWaalsContact O-CE2 3.3Å; Y369-Y372 WeakPolarHBondContact O-CE2 3.49Å; Y369-Y372 PolarHBondContact O-OH 3.26Å; Y372-I437 CarbonylContact C-O 3.46Å; Y372-I437 WeakPolarHBondContact CA-O 3.35Å; Y372-V486 PolarHBondContact N-O 3.39Å; Y372-V486 PolarHBondContact O-N 2.78Å; Y372-K488 HydrophobicContact CE2-CB 4.07Å; Y372-L491 HydrophobicContact CD2-CD1 3.8Å; Y372-L491 HydrophobicContact CD2-CD2 4.2Å; Y372-L491 HydrophobicContact CD2-CG 4.21Å; Y372-L491 HydrophobicContact CE1-CD1 4.39Å; Y372-L491 HydrophobicContact CE2-CD1 3.56Å; Y372-L491 HydrophobicContact CE2-CG 4.4Å; Y372-L491 HydrophobicContact CG-CD1 4.37Å; Y372-L491 HydrophobicContact CG-CD2 4.31Å
373	I	95.1	Very high	91.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.2	157.6	-61.1	167.6	0	0	0	106.5	L403 I437 I439 L454 I458 A483 T484	I373-L403 HydrophobicContact CD1-CD1 3.79Å; I373-L403 HydrophobicContact CD1-CD2 4.04Å; I373-I437 HydrophobicContact CB-CB 4.35Å; I373-I437 PolarHBondContact N-O 3.03Å; I373-I437 PolarHBondContact O-N 3.44Å; I373-I439 HydrophobicContact CD1-CD1 4.13Å; I373-I439 HydrophobicContact CD1-CG1 4.37Å; I373-I439 HydrophobicContact CG1-CD1 4.48Å; I373-I439 HydrophobicContact CG1-CG1 4.28Å; I373-L454 HydrophobicContact CD1-CD1 4.43Å; I373-I458 HydrophobicContact CD1-CD1 4.09Å; I373-A483 HydrophobicContact CG2-CB 4.18Å; I373-T484 CarbonylContact C-O 3.51Å; I373-T484 WeakPolarHBondContact CA-O 3.43Å
374	V	95.1	Very high	91.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	120.8	165.6	-167.7	0	0	0	0	106.7	M434 W435 F436 A483 T484 V486 Y494	V374-M434 HydrophobicContact CG1-CB 4.16Å; V374-M434 HydrophobicContact CG1-CG 4.41Å; V374-M434 HydrophobicContact CG1-SD 4.18Å; V374-W435 WeakPolarHBondContact CA-O 3.36Å; V374-F436 HydrophobicContact CB-CE1 4.32Å; V374-F436 HydrophobicContact CG1-CD1 4.32Å; V374-F436 HydrophobicContact CG1-CE1 3.87Å; V374-F436 HydrophobicContact CG1-CZ 3.99Å; V374-F436 HydrophobicContact CG2-CD1 3.83Å; V374-F436 HydrophobicContact CG2-CE1 3.6Å; V374-F436 HydrophobicContact CG2-CZ 4.49Å; V374-A483 WeakPolarHBondContact O-CA 3.49Å; V374-T484 PolarHBondContact N-O 2.93Å; V374-T484 PolarHBondContact O-N 3.11Å; V374-V486 HydrophobicContact CG2-CB 4.42Å; V374-V486 HydrophobicContact CG2-CG1 3.87Å; V374-V486 HydrophobicContact CG2-CG2 3.62Å; V374-Y494 HydrophobicContact CB-CD1 4.47Å; V374-Y494 HydrophobicContact CB-CE1 4.32Å; V374-Y494 HydrophobicContact CG1-CD1 3.98Å; V374-Y494 HydrophobicContact CG1-CE1 4.19Å; V374-Y494 HydrophobicContact CG2-CD1 4.19Å; V374-Y494 HydrophobicContact CG2-CE1 4.17Å; V374-Y494 HydrophobicContact CG2-CG 4.46Å
375	L	95.2	Very high	91.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	113.3	174.4	-177	71.4	0	0	0	108.3	V392 I396 M434 W435 F461 I481 A483	L375-V392 HydrophobicContact CD2-CG1 4.02Å; L375-I396 HydrophobicContact CD2-CD1 3.89Å; L375-I396 HydrophobicContact CD2-CG1 3.73Å; L375-M434 CarbonylContact O-C 3.59Å; L375-M434 VanDerWaalsContact O-CA 3.25Å; L375-M434 WeakPolarHBondContact O-CA 3.3Å; L375-W435 PolarHBondContact N-O 3.04Å; L375-W435 PolarHBondContact O-N 3.33Å; L375-F461 HydrophobicContact CD1-CE1 3.73Å; L375-F461 HydrophobicContact CD2-CE1 3.99Å; L375-F461 HydrophobicContact CD2-CZ 4.04Å; L375-I481 HydrophobicContact CD1-CD1 3.9Å; L375-I481 HydrophobicContact CD1-CG1 3.86Å; L375-I481 HydrophobicContact CD2-CD1 4.36Å; L375-I481 HydrophobicContact CG-CD1 4.39Å; L375-I481 HydrophobicContact CG-CG1 4.43Å; L375-A483 HydrophobicContact CD1-CB 3.86Å
376	T	94	Very high	91.5	Very high	28 Å²	28	36.9 Å²	36.9	17%	0.172	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	129.8	-179.3	-53.3	0	0	0	0	109.1	V432 S433 M434 I481 E482	T376-V432 HydrophobicContact CG2-CG1 3.5Å; T376-S433 WeakPolarHBondContact CA-O 3.47Å; T376-M434 HydrophobicContact CG2-CG 4.21Å; T376-I481 WeakPolarHBondContact O-CA 3.34Å; T376-E482 PolarHBondContact N-O 2.95Å; T376-E482 PolarHBondContact O-N 3.21Å
377	A	93.9	Very high	91.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	139.9	169.3	0	0	0	0	0	109.4	H385 I389 V392 V432 S433 W435 K480	A377-H385 PolarHBondContact O-CE1 3.37Å; A377-I389 HydrophobicContact CB-CG2 4.06Å; A377-V392 HydrophobicContact CB-CB 4.48Å; A377-V392 HydrophobicContact CB-CG1 4.32Å; A377-V392 HydrophobicContact CB-CG2 4.14Å; A377-V432 WeakPolarHBondContact O-CA 3.15Å; A377-S433 PolarHBondContact N-O 3.11Å; A377-S433 PolarHBondContact O-N 3.44Å; A377-W435 HydrophobicContact CB-CZ3 4.07Å; A377-K480 WeakPolarHBondContact CA-O 3.42Å
378	S	92.9	Very high	91.2	Very high	16 Å²	16	36.6 Å²	36.6	11%	0.112	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	157.6	-179.7	60.6	0	0	0	0	113.2	W388 F431 M479 K480	S378-W388 PolarHBondContact O-NE1 3.5Å; S378-F431 CarbonylContact C-O 3.35Å; S378-F431 WeakPolarHBondContact CA-O 3.4Å; S378-F431 WeakPolarHBondContact CB-O 3.23Å; S378-M479 CarbonylContact O-C 3.58Å; S378-M479 WeakPolarHBondContact O-CA 3.42Å; S378-K480 PolarHBondContact N-O 3.47Å; S378-K480 PolarHBondContact O-N 2.95Å
379	A	91.9	Very high	91.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	164.2	169.2	0	0	0	0	0	110.9	N384 H385 F431 M479	A379-N384 HydrophobicContact CB-CB 3.97Å; A379-H385 HydrophobicContact CB-CB 4.03Å; A379-F431 PolarHBondContact N-O 3.02Å; A379-F431 VanDerWaalsContact N-O 3.1Å; A379-F431 WeakPolarHBondContact O-CB 3.5Å; A379-F431 PolarHBondContact O-N 3.14Å; A379-M479 HydrophobicContact CB-CG 4.11Å
380	S	89.8	Confident	90.9	Very high	49 Å²	49	33.9 Å²	33.9	34%	0.343	18%	0.176	S	C	.	.	S	Bend	trans	-93.6	3.7	-173.7	-52.5	0	0	0	0	115.1	N429	S380-N429 CarbonylContact C-O 3.58Å; S380-N429 WeakPolarHBondContact CA-O 3.48Å
381	T	88	Confident	90.8	Very high	59 Å²	59	26.7 Å²	26.7	36%	0.362	15%	0.146	S	C	.	.	S	Bend	trans	-137.6	155.1	163.9	69.4	0	0	0	0	109	N384 H385 F431	T381-N384 PolarHBondContact O-N 3.34Å; T381-N384 VanDerWaalsContact OG1-CB 3.31Å; T381-N384 WeakPolarHBondContact OG1-CB 3.46Å; T381-N384 PolarHBondContact OG1-N 3.37Å; T381-N384 PolarHBondContact OG1-ND2 2.85Å; T381-H385 WeakPolarHBondContact O-CB 3.44Å; T381-H385 PolarHBondContact O-N 2.65Å; T381-F431 VanDerWaalsContact C-CD2 3.5Å
382	E	85.8	Confident	90.8	Very high	80 Å²	80	25.3 Å²	25.3	37%	0.374	14%	0.139	S	C	.	.	H	α-helix	trans	-61.3	-49	177.2	-150	171.3	-176.5	0	0	110.2	N384 H385 L386 F431 S537	E382-N384 VanDerWaalsContact C-N 3.27Å; E382-N384 PolarHBondContact O-N 3.47Å; E382-H385 WeakPolarHBondContact O-CA 3.46Å; E382-H385 VanDerWaalsContact O-CB 3.32Å; E382-H385 WeakPolarHBondContact O-CB 3.14Å; E382-H385 PolarHBondContact O-N 3Å; E382-L386 HydrophobicContact CG-CD2 4.26Å; E382-L386 WeakPolarHBondContact O-CD1 3.28Å; E382-L386 VanDerWaalsContact O-CD2 3.29Å; E382-L386 WeakPolarHBondContact O-CD2 3.25Å; E382-L386 PolarHBondContact O-N 2.65Å; E382-F431 HydrophobicContact CB-CD1 3.99Å; E382-F431 HydrophobicContact CB-CE1 3.58Å; E382-F431 HydrophobicContact CB-CE2 4.41Å; E382-F431 HydrophobicContact CB-CZ 3.82Å; E382-F431 HydrophobicContact CG-CD1 3.81Å; E382-F431 HydrophobicContact CG-CE1 3.59Å; E382-F431 HydrophobicContact CG-CZ 4.34Å; E382-S537 PolarHBondContact OE1-OG 3.24Å
383	E	84.8	Confident	90.7	Very high	101 Å²	101	27 Å²	27	47%	0.472	15%	0.147	S	C	.	.	H	α-helix	trans	-51.7	-40.5	176.6	-65.1	-179.8	161.1	0	0	113.8	L386	E383-L386 VanDerWaalsContact CA-CD1 3.47Å
384	N	88	Confident	90.4	Very high	26 Å²	26	28.4 Å²	28.4	14%	0.139	16%	0.157	C	C	.	.	H	α-helix	trans	-77.2	-34.5	176.3	-66.6	-13.3	0	0	0	111.7	A379 T381 E382 L386 W388 K476 M479	A379-N384 HydrophobicContact CB-CB 3.97Å; T381-N384 PolarHBondContact O-N 3.34Å; T381-N384 VanDerWaalsContact OG1-CB 3.31Å; T381-N384 WeakPolarHBondContact OG1-CB 3.46Å; T381-N384 PolarHBondContact OG1-N 3.37Å; T381-N384 PolarHBondContact OG1-ND2 2.85Å; E382-N384 VanDerWaalsContact C-N 3.27Å; E382-N384 PolarHBondContact O-N 3.47Å; N384-L386 VanDerWaalsContact C-N 3.32Å; N384-L386 PolarHBondContact O-N 3.32Å; N384-W388 WeakPolarHBondContact O-CB 3.41Å; N384-W388 PolarHBondContact O-N 3.16Å; N384-K476 HydrophobicContact CB-CD 4.4Å; N384-K476 VanDerWaalsContact CG-CD 3.42Å; N384-K476 WeakPolarHBondContact OD1-CD 3.44Å; N384-K476 PolarHBondContact OD1-NZ 3.34Å; N384-M479 HydrophobicContact CB-CE 3.85Å; N384-M479 WeakPolarHBondContact O-CE 3.43Å
385	H	89.1	Confident	90.4	Very high	13 Å²	13	30.3 Å²	30.3	6%	0.06	17%	0.165	C	C	.	.	H	α-helix	trans	-62.5	-40.6	177.2	-170.9	61.2	0	0	0	111.5	A377 A379 T381 E382 W388 I389 F431 S433	A377-H385 PolarHBondContact O-CE1 3.37Å; A379-H385 HydrophobicContact CB-CB 4.03Å; T381-H385 WeakPolarHBondContact O-CB 3.44Å; T381-H385 PolarHBondContact O-N 2.65Å; E382-H385 WeakPolarHBondContact O-CA 3.46Å; E382-H385 VanDerWaalsContact O-CB 3.32Å; E382-H385 WeakPolarHBondContact O-CB 3.14Å; E382-H385 PolarHBondContact O-N 3Å; H385-W388 PolarHBondContact O-N 2.93Å; H385-I389 VanDerWaalsContact CE1-CG2 3.46Å; H385-I389 WeakPolarHBondContact CE1-CG2 3.38Å; H385-I389 WeakPolarHBondContact O-CG1 3.42Å; H385-I389 WeakPolarHBondContact O-CG2 3.46Å; H385-I389 PolarHBondContact O-N 3.15Å; H385-F431 HydrophobicContact CB-CB 3.76Å; H385-F431 HydrophobicContact CB-CG 4.47Å; H385-F431 PolarHBondContact ND1-O 3.47Å; H385-S433 PolarHBondContact CE1-N 3.03Å; H385-S433 PolarHBondContact NE2-OG 3.5Å
386	L	85.9	Confident	90.4	Very high	21 Å²	21	30.3 Å²	30.3	11%	0.11	17%	0.165	C	C	.	.	H	α-helix	trans	-53.7	-58.9	175.5	-77.4	140.8	0	0	0	112.4	E382 E383 N384 W388 G390 T535 D536	E382-L386 HydrophobicContact CG-CD2 4.26Å; E382-L386 WeakPolarHBondContact O-CD1 3.28Å; E382-L386 VanDerWaalsContact O-CD2 3.29Å; E382-L386 WeakPolarHBondContact O-CD2 3.25Å; E382-L386 PolarHBondContact O-N 2.65Å; E383-L386 VanDerWaalsContact CA-CD1 3.47Å; N384-L386 VanDerWaalsContact C-N 3.32Å; N384-L386 PolarHBondContact O-N 3.32Å; L386-W388 VanDerWaalsContact C-N 3.33Å; L386-W388 PolarHBondContact O-N 3.23Å; L386-G390 PolarHBondContact O-N 2.88Å; L386-T535 HydrophobicContact CD2-CG2 3.78Å; L386-T535 HydrophobicContact CG-CG2 4.22Å; L386-T535 PolarHBondContact O-OG1 3.29Å; L386-D536 VanDerWaalsContact CD1-O 3.25Å; L386-D536 WeakPolarHBondContact CD1-O 3.4Å; L386-D536 WeakPolarHBondContact CD2-O 3.34Å; L386-D536 WeakPolarHBondContact CG-O 3.3Å
387	E	85.8	Confident	90.5	Very high	83 Å²	83	33.1 Å²	33.1	39%	0.388	17%	0.173	S	C	.	.	H	α-helix	trans	-60.8	-44	179.2	-65.2	172.7	171.8	0	0	111.1	L391 M474 K476	E387-L391 PolarHBondContact O-N 3.26Å; E387-M474 HydrophobicContact CB-CE 4.25Å; E387-M474 HydrophobicContact CB-CG 4.24Å; E387-M474 HydrophobicContact CB-SD 3.98Å; E387-K476 IonicContact OE1-NZ 3.38Å; E387-K476 PolarHBondContact OE1-NZ 2.86Å; E387-K476 VanDerWaalsContact OE1-NZ 3.11Å; E387-K476 WeakPolarHBondContact OE2-CE 3.49Å; E387-K476 IonicContact OE2-NZ 3.69Å; E387-K476 PolarHBondContact OE2-NZ 2.91Å
388	W	91.8	Very high	90.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.8	-48.7	-178.7	-174.2	-127.4	0	0	0	111.9	S378 N384 H385 L386 L391 V392 V465 Y466 A469 M474 L475 M479 K480 I481	S378-W388 PolarHBondContact O-NE1 3.5Å; N384-W388 WeakPolarHBondContact O-CB 3.41Å; N384-W388 PolarHBondContact O-N 3.16Å; H385-W388 PolarHBondContact O-N 2.93Å; L386-W388 VanDerWaalsContact C-N 3.33Å; L386-W388 PolarHBondContact O-N 3.23Å; W388-L391 HydrophobicContact CE3-CD2 4.4Å; W388-L391 HydrophobicContact CZ3-CD2 4.2Å; W388-L391 PolarHBondContact O-N 3.22Å; W388-V392 HydrophobicContact CD2-CG2 4.14Å; W388-V392 HydrophobicContact CG-CG2 4.49Å; W388-V392 HydrophobicContact CZ2-CG2 4.26Å; W388-V392 VanDerWaalsContact O-CG2 3.28Å; W388-V392 WeakPolarHBondContact O-CG2 3.39Å; W388-V392 PolarHBondContact O-N 2.86Å; W388-V465 HydrophobicContact CH2-CG1 3.7Å; W388-V465 HydrophobicContact CZ2-CG1 4.26Å; W388-V465 HydrophobicContact CZ3-CG1 4.15Å; W388-Y466 AromaticContact CH2-CD1 3.81Å; W388-Y466 HydrophobicContact CH2-CD1 3.81Å; W388-Y466 AromaticContact CH2-CE1 3.78Å; W388-Y466 HydrophobicContact CH2-CE1 3.78Å; W388-Y466 HydrophobicContact CZ2-CD1 4.48Å; W388-Y466 AromaticContact CZ2-CE1 3.99Å; W388-Y466 HydrophobicContact CZ2-CE1 3.99Å; W388-A469 HydrophobicContact CZ3-CB 3.74Å; W388-M474 HydrophobicContact CE3-CE 3.76Å; W388-M474 HydrophobicContact CZ3-CE 4.45Å; W388-L475 HydrophobicContact CE3-CD1 4.31Å; W388-L475 HydrophobicContact CH2-CD1 3.74Å; W388-L475 HydrophobicContact CZ3-CD1 3.56Å; W388-M479 HydrophobicContact CB-CE 4.13Å; W388-M479 HydrophobicContact CB-CG 4.19Å; W388-M479 HydrophobicContact CB-SD 4.11Å; W388-M479 HydrophobicContact CD2-CB 3.91Å; W388-M479 HydrophobicContact CD2-CG 4.1Å; W388-M479 HydrophobicContact CD2-SD 3.99Å; W388-M479 HydrophobicContact CE3-CB 4.14Å; W388-M479 HydrophobicContact CE3-CG 4.26Å; W388-M479 HydrophobicContact CE3-SD 3.59Å; W388-M479 VanDerWaalsContact CE3-SD 3.59Å; W388-M479 HydrophobicContact CG-CB 4.23Å; W388-M479 HydrophobicContact CG-CG 4.07Å; W388-M479 HydrophobicContact CG-SD 4.23Å; W388-M479 HydrophobicContact CZ2-CB 4.43Å; W388-M479 HydrophobicContact CZ3-CB 4.5Å; W388-M479 HydrophobicContact CZ3-SD 4.29Å; W388-K480 PolarHBondContact NE1-O 3.01Å; W388-I481 HydrophobicContact CH2-CG2 4.47Å; W388-I481 HydrophobicContact CZ2-CB 3.84Å; W388-I481 HydrophobicContact CZ2-CG2 3.91Å
389	I	91.4	Very high	90.7	Very high	17 Å²	17	34.9 Å²	34.9	9%	0.087	18%	0.183	C	C	.	.	H	α-helix	trans	-71.8	-33.4	-177.9	70.3	174.2	0	0	0	113.3	A377 H385 L391 V392 E393 W435 T535	A377-I389 HydrophobicContact CB-CG2 4.06Å; H385-I389 VanDerWaalsContact CE1-CG2 3.46Å; H385-I389 WeakPolarHBondContact CE1-CG2 3.38Å; H385-I389 WeakPolarHBondContact O-CG1 3.42Å; H385-I389 WeakPolarHBondContact O-CG2 3.46Å; H385-I389 PolarHBondContact O-N 3.15Å; I389-L391 VanDerWaalsContact C-N 3.33Å; I389-L391 PolarHBondContact O-N 3.3Å; I389-V392 PolarHBondContact O-N 3.2Å; I389-E393 WeakPolarHBondContact O-CB 3.25Å; I389-E393 PolarHBondContact O-N 3.29Å; I389-W435 HydrophobicContact CB-CH2 3.71Å; I389-W435 HydrophobicContact CB-CZ2 4.3Å; I389-W435 HydrophobicContact CD1-CH2 4.42Å; I389-W435 HydrophobicContact CG2-CH2 3.76Å; I389-W435 HydrophobicContact CG2-CZ3 4.4Å; I389-T535 HydrophobicContact CD1-CG2 4.09Å
390	G	88.5	Confident	90.9	Very high	21 Å²	21	35 Å²	35	22%	0.216	18%	0.184	C	C	.	.	H	α-helix	trans	-60.5	-43.4	170.8	0	0	0	0	0	111.7	L386 S394	L386-G390 PolarHBondContact O-N 2.88Å; G390-S394 WeakPolarHBondContact O-CB 3.2Å; G390-S394 PolarHBondContact O-N 3.47Å; G390-S394 VanDerWaalsContact O-N 3.16Å
391	L	90.6	Very high	91.1	Very high	17 Å²	17	33.6 Å²	33.6	9%	0.089	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-51	172.4	-175.8	69.1	0	0	0	111.3	E387 W388 I389 E393 S394 K395 A469 I472 M474	E387-L391 PolarHBondContact O-N 3.26Å; W388-L391 HydrophobicContact CE3-CD2 4.4Å; W388-L391 HydrophobicContact CZ3-CD2 4.2Å; W388-L391 PolarHBondContact O-N 3.22Å; I389-L391 VanDerWaalsContact C-N 3.33Å; I389-L391 PolarHBondContact O-N 3.3Å; L391-E393 PolarHBondContact O-N 3.41Å; L391-S394 WeakPolarHBondContact O-CB 3.16Å; L391-S394 PolarHBondContact O-N 3.19Å; L391-S394 PolarHBondContact O-OG 3.2Å; L391-K395 WeakPolarHBondContact O-CG 3.42Å; L391-K395 PolarHBondContact O-N 2.84Å; L391-A469 HydrophobicContact CD2-CB 3.55Å; L391-I472 HydrophobicContact CD1-CD1 4.16Å; L391-M474 HydrophobicContact CB-CE 3.79Å; L391-M474 HydrophobicContact CB-SD 4.14Å; L391-M474 HydrophobicContact CD2-CE 3.59Å; L391-M474 HydrophobicContact CD2-SD 4.21Å; L391-M474 HydrophobicContact CG-CE 4.3Å
392	V	93.7	Very high	91.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.2	-50.9	-177.7	170.7	0	0	0	0	111.3	L375 A377 W388 I389 S394 K395 I396 V465 I481	L375-V392 HydrophobicContact CD2-CG1 4.02Å; A377-V392 HydrophobicContact CB-CB 4.48Å; A377-V392 HydrophobicContact CB-CG1 4.32Å; A377-V392 HydrophobicContact CB-CG2 4.14Å; W388-V392 HydrophobicContact CD2-CG2 4.14Å; W388-V392 HydrophobicContact CG-CG2 4.49Å; W388-V392 HydrophobicContact CZ2-CG2 4.26Å; W388-V392 VanDerWaalsContact O-CG2 3.28Å; W388-V392 WeakPolarHBondContact O-CG2 3.39Å; W388-V392 PolarHBondContact O-N 2.86Å; I389-V392 PolarHBondContact O-N 3.2Å; V392-S394 VanDerWaalsContact C-N 3.27Å; V392-S394 PolarHBondContact O-N 2.66Å; V392-K395 WeakPolarHBondContact O-CA 3.44Å; V392-K395 PolarHBondContact O-N 3.3Å; V392-I396 HydrophobicContact CG1-CG1 4.49Å; V392-I396 WeakPolarHBondContact O-CG1 3.29Å; V392-I396 PolarHBondContact O-N 2.86Å; V392-V465 HydrophobicContact CG2-CG1 4.07Å; V392-I481 HydrophobicContact CB-CD1 4.46Å; V392-I481 HydrophobicContact CG1-CD1 3.69Å; V392-I481 HydrophobicContact CG1-CG1 4.49Å; V392-I481 HydrophobicContact CG2-CD1 3.92Å
393	E	93.2	Very high	91.9	Very high	35 Å²	35	27.4 Å²	27.4	16%	0.164	14%	0.144	C	C	.	.	H	α-helix	trans	-57.5	-42.3	178.8	-176.1	159.3	158.5	0	0	111.1	I238 L239 I389 L391 K395 I396 W435	I238-E393 HydrophobicContact CG2-CG 4.21Å; L239-E393 HydrophobicContact CD2-CG 3.92Å; L239-E393 HydrophobicContact CG-CG 4.26Å; I389-E393 WeakPolarHBondContact O-CB 3.25Å; I389-E393 PolarHBondContact O-N 3.29Å; L391-E393 PolarHBondContact O-N 3.41Å; E393-K395 PolarHBondContact O-N 2.86Å; E393-I396 PolarHBondContact O-N 3.13Å; E393-I396 VanDerWaalsContact O-N 3.12Å; E393-W435 HydrophobicContact CB-CZ2 4.47Å; E393-W435 PolarHBondContact OE2-NE1 3.47Å
394	S	89.9	Confident	92.3	Very high	31 Å²	31	25 Å²	25	22%	0.217	13%	0.133	C	C	.	.	H	α-helix	trans	-58.8	-19.6	176	86.4	0	0	0	0	114.4	G390 L391 V392 R397	G390-S394 WeakPolarHBondContact O-CB 3.2Å; G390-S394 PolarHBondContact O-N 3.47Å; G390-S394 VanDerWaalsContact O-N 3.16Å; L391-S394 WeakPolarHBondContact O-CB 3.16Å; L391-S394 PolarHBondContact O-N 3.19Å; L391-S394 PolarHBondContact O-OG 3.2Å; V392-S394 VanDerWaalsContact C-N 3.27Å; V392-S394 PolarHBondContact O-N 2.66Å; S394-R397 PolarHBondContact O-NH1 3.05Å
395	K	94.1	Very high	92.6	Very high	39 Å²	39	31.8 Å²	31.8	17%	0.17	16%	0.157	C	C	.	.	H	α-helix	trans	-104.8	-10	177.8	-46.2	-46.9	165.6	178.9	0	114.5	L391 V392 E393 R397 V398 F461 V465	L391-K395 WeakPolarHBondContact O-CG 3.42Å; L391-K395 PolarHBondContact O-N 2.84Å; V392-K395 WeakPolarHBondContact O-CA 3.44Å; V392-K395 PolarHBondContact O-N 3.3Å; E393-K395 PolarHBondContact O-N 2.86Å; K395-R397 PolarHBondContact O-N 3.5Å; K395-R397 VanDerWaalsContact O-N 3.07Å; K395-V398 HydrophobicContact CB-CG2 4.47Å; K395-V398 WeakPolarHBondContact O-CA 3.42Å; K395-V398 WeakPolarHBondContact O-CB 3.04Å; K395-V398 WeakPolarHBondContact O-CG2 3.05Å; K395-V398 PolarHBondContact O-N 2.84Å; K395-F461 HydrophobicContact CB-CE2 3.83Å; K395-F461 WeakPolarHBondContact O-CE2 3.32Å; K395-V465 HydrophobicContact CB-CG2 4.03Å; K395-V465 HydrophobicContact CG-CG2 4.16Å
396	I	96.3	Very high	92.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-57.2	-32.1	-176.1	-63.3	177.9	0	0	0	111.7	L239 L375 V392 E393 V398 L399 V400 V414 W435 I437	L239-I396 HydrophobicContact CD2-CB 3.71Å; L239-I396 HydrophobicContact CD2-CD1 4.26Å; L239-I396 HydrophobicContact CD2-CG1 4.44Å; L239-I396 HydrophobicContact CD2-CG2 4.07Å; L375-I396 HydrophobicContact CD2-CD1 3.89Å; L375-I396 HydrophobicContact CD2-CG1 3.73Å; V392-I396 HydrophobicContact CG1-CG1 4.49Å; V392-I396 WeakPolarHBondContact O-CG1 3.29Å; V392-I396 PolarHBondContact O-N 2.86Å; E393-I396 PolarHBondContact O-N 3.13Å; E393-I396 VanDerWaalsContact O-N 3.12Å; I396-V398 PolarHBondContact O-N 2.82Å; I396-L399 WeakPolarHBondContact O-CB 3.36Å; I396-L399 PolarHBondContact O-N 2.81Å; I396-V400 PolarHBondContact O-N 3.08Å; I396-V414 HydrophobicContact CG2-CB 4.49Å; I396-V414 HydrophobicContact CG2-CG1 3.91Å; I396-V414 HydrophobicContact CG2-CG2 3.7Å; I396-W435 HydrophobicContact CD1-CB 4.01Å; I396-W435 HydrophobicContact CD1-CD2 3.82Å; I396-W435 HydrophobicContact CD1-CG 3.52Å; I396-I437 HydrophobicContact CG2-CD1 4.09Å
397	R	95	Very high	92.9	Very high	88 Å²	88	38.2 Å²	38.2	33%	0.332	19%	0.187	S	C	.	.	H	α-helix	trans	-60.7	-23	172.8	68.3	172.4	179.2	-76.8	-6.3	114.6	I238 N326 S394 K395 G401	I238-R397 WeakPolarHBondContact O-CD 3.32Å; I238-R397 PolarHBondContact O-NH1 2.84Å; N326-R397 PolarHBondContact OD1-NE 2.88Å; N326-R397 VanDerWaalsContact OD1-NE 3.13Å; S394-R397 PolarHBondContact O-NH1 3.05Å; K395-R397 PolarHBondContact O-N 3.5Å; K395-R397 VanDerWaalsContact O-N 3.07Å; R397-G401 PolarHBondContact O-N 3.29Å
398	V	94.8	Very high	93.1	Very high	52 Å²	52	38.7 Å²	38.7	32%	0.315	19%	0.186	S	C	.	.	H	α-helix	trans	-70.6	-42.3	172	-174.6	0	0	0	0	110.4	K395 I396 G401 N402 F461	K395-V398 HydrophobicContact CB-CG2 4.47Å; K395-V398 WeakPolarHBondContact O-CA 3.42Å; K395-V398 WeakPolarHBondContact O-CB 3.04Å; K395-V398 WeakPolarHBondContact O-CG2 3.05Å; K395-V398 PolarHBondContact O-N 2.84Å; I396-V398 PolarHBondContact O-N 2.82Å; V398-G401 CarbonylContact O-C 3.58Å; V398-G401 PolarHBondContact O-N 2.82Å; V398-N402 PolarHBondContact O-N 3.45Å; V398-N402 PolarHBondContact O-OD1 2.88Å; V398-F461 HydrophobicContact CB-CD2 4.35Å
399	L	95.8	Very high	93.1	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.7	-42.9	172.5	-179.3	56	0	0	0	111.2	I396 G401 N402 L403 I437 I458 F461	I396-L399 WeakPolarHBondContact O-CB 3.36Å; I396-L399 PolarHBondContact O-N 2.81Å; L399-G401 VanDerWaalsContact C-N 3.31Å; L399-G401 PolarHBondContact O-N 2.81Å; L399-N402 PolarHBondContact O-N 3.49Å; L399-L403 HydrophobicContact CD1-CD1 4.06Å; L399-L403 HydrophobicContact CD1-CG 4.11Å; L399-L403 HydrophobicContact CG-CD1 3.92Å; L399-L403 HydrophobicContact CG-CG 4.43Å; L399-L403 WeakPolarHBondContact O-CB 3.5Å; L399-L403 VanDerWaalsContact O-CG 3.23Å; L399-L403 WeakPolarHBondContact O-CG 3.41Å; L399-L403 PolarHBondContact O-N 3.39Å; L399-I437 HydrophobicContact CD2-CD1 3.72Å; L399-I437 HydrophobicContact CG-CD1 4.31Å; L399-I458 HydrophobicContact CD1-CG1 4.09Å; L399-F461 HydrophobicContact CB-CB 4.21Å; L399-F461 HydrophobicContact CB-CD1 4.04Å; L399-F461 HydrophobicContact CB-CD2 3.71Å; L399-F461 HydrophobicContact CB-CE1 4.36Å; L399-F461 HydrophobicContact CB-CE2 4.05Å; L399-F461 HydrophobicContact CB-CG 3.7Å; L399-F461 HydrophobicContact CB-CZ 4.36Å; L399-F461 HydrophobicContact CD1-CB 3.98Å; L399-F461 HydrophobicContact CD1-CD1 4.27Å; L399-F461 HydrophobicContact CD1-CG 4.17Å; L399-F461 HydrophobicContact CD2-CD1 3.92Å; L399-F461 HydrophobicContact CD2-CE1 4.07Å; L399-F461 HydrophobicContact CD2-CG 4.41Å; L399-F461 HydrophobicContact CG-CD1 4.3Å; L399-F461 HydrophobicContact CG-CG 4.29Å
400	V	96.3	Very high	93.2	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.018	21%	0.206	C	C	.	.	H	α-helix	trans	-57.2	-45.8	172.1	176.9	0	0	0	0	110.9	I396 N402 L403 E404 A412 V414	I396-V400 PolarHBondContact O-N 3.08Å; V400-N402 PolarHBondContact O-N 2.94Å; V400-L403 PolarHBondContact O-N 2.8Å; V400-E404 HydrophobicContact CG1-CG 4.43Å; V400-E404 WeakPolarHBondContact CG1-OE1 3.28Å; V400-E404 WeakPolarHBondContact O-CB 3.49Å; V400-E404 WeakPolarHBondContact O-CG 3.5Å; V400-E404 PolarHBondContact O-N 2.96Å; V400-A412 HydrophobicContact CG1-CB 4.38Å; V400-V414 HydrophobicContact CG2-CG2 3.29Å
401	G	94.8	Very high	93.6	Very high	20 Å²	20	41.1 Å²	41.1	21%	0.206	20%	0.197	C	C	.	.	H	α-helix	trans	-62.9	-36.7	176.6	0	0	0	0	0	113.9	R397 V398 L399 R405	R397-G401 PolarHBondContact O-N 3.29Å; V398-G401 CarbonylContact O-C 3.58Å; V398-G401 PolarHBondContact O-N 2.82Å; L399-G401 VanDerWaalsContact C-N 3.31Å; L399-G401 PolarHBondContact O-N 2.81Å; G401-R405 WeakPolarHBondContact O-CG 3.47Å; G401-R405 PolarHBondContact O-N 2.79Å; G401-R405 PolarHBondContact O-NH1 3.34Å
402	N	94.3	Very high	93.9	Very high	8 Å²	8	40.3 Å²	40.3	4%	0.043	19%	0.192	C	C	.	.	H	α-helix	trans	-63.9	-52.3	172.6	-69.6	1.3	0	0	0	110.3	V398 L399 V400 E404 R405 N406 D457	V398-N402 PolarHBondContact O-N 3.45Å; V398-N402 PolarHBondContact O-OD1 2.88Å; L399-N402 PolarHBondContact O-N 3.49Å; V400-N402 PolarHBondContact O-N 2.94Å; N402-E404 VanDerWaalsContact C-N 3.29Å; N402-E404 PolarHBondContact O-N 2.87Å; N402-R405 PolarHBondContact O-N 2.95Å; N402-R405 PolarHBondContact OD1-NH2 3.19Å; N402-N406 PolarHBondContact O-N 2.91Å; N402-D457 HydrophobicContact CB-CB 4.08Å; N402-D457 PolarHBondContact ND2-O 3.47Å
403	L	94.9	Very high	94	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62	-32.5	179.5	-63.8	167.4	0	0	0	112.7	I373 L399 V400 R405 N406 I409 A412 I439 L454 D457	I373-L403 HydrophobicContact CD1-CD1 3.79Å; I373-L403 HydrophobicContact CD1-CD2 4.04Å; L399-L403 HydrophobicContact CD1-CD1 4.06Å; L399-L403 HydrophobicContact CD1-CG 4.11Å; L399-L403 HydrophobicContact CG-CD1 3.92Å; L399-L403 HydrophobicContact CG-CG 4.43Å; L399-L403 WeakPolarHBondContact O-CB 3.5Å; L399-L403 VanDerWaalsContact O-CG 3.23Å; L399-L403 WeakPolarHBondContact O-CG 3.41Å; L399-L403 PolarHBondContact O-N 3.39Å; V400-L403 PolarHBondContact O-N 2.8Å; L403-R405 VanDerWaalsContact C-N 3.28Å; L403-R405 PolarHBondContact O-N 2.81Å; L403-N406 WeakPolarHBondContact O-CB 3.46Å; L403-N406 PolarHBondContact O-N 3.48Å; L403-I409 HydrophobicContact CB-CD1 3.86Å; L403-I409 HydrophobicContact CD2-CD1 3.53Å; L403-I409 HydrophobicContact CG-CD1 4.26Å; L403-I409 VanDerWaalsContact O-CB 3.31Å; L403-I409 WeakPolarHBondContact O-CB 3.49Å; L403-I409 WeakPolarHBondContact O-CG2 3.1Å; L403-A412 HydrophobicContact CB-CB 4.11Å; L403-A412 HydrophobicContact CD1-CB 4.09Å; L403-I439 HydrophobicContact CD1-CD1 4.13Å; L403-L454 HydrophobicContact CD2-CD1 4.4Å; L403-L454 HydrophobicContact CD2-CD2 4.4Å; L403-D457 HydrophobicContact CD2-CB 4.34Å
404	E	94.4	Very high	94.2	Very high	50 Å²	50	39.2 Å²	39.2	23%	0.234	19%	0.188	C	C	.	.	H	α-helix	trans	-68.4	-22.8	173.4	-81.4	-177.1	-158.6	0	0	113.7	S328 T329 S330 V400 N402	S328-E404 WeakPolarHBondContact CB-OE1 3.28Å; S328-E404 PolarHBondContact OG-OE1 3.07Å; T329-E404 WeakPolarHBondContact CA-OE2 3.46Å; T329-E404 WeakPolarHBondContact CB-OE2 3.36Å; T329-E404 PolarHBondContact N-OE1 2.92Å; T329-E404 PolarHBondContact N-OE2 3.14Å; T329-E404 PolarHBondContact OG1-OE2 3.34Å; S330-E404 WeakPolarHBondContact CA-OE1 3.4Å; S330-E404 WeakPolarHBondContact CB-OE1 3.46Å; S330-E404 PolarHBondContact N-OE1 3.08Å; S330-E404 WeakPolarHBondContact OG-CG 3.49Å; S330-E404 PolarHBondContact OG-OE1 3.47Å; V400-E404 HydrophobicContact CG1-CG 4.43Å; V400-E404 WeakPolarHBondContact CG1-OE1 3.28Å; V400-E404 WeakPolarHBondContact O-CB 3.49Å; V400-E404 WeakPolarHBondContact O-CG 3.5Å; V400-E404 PolarHBondContact O-N 2.96Å; N402-E404 VanDerWaalsContact C-N 3.29Å; N402-E404 PolarHBondContact O-N 2.87Å
405	R	93.2	Very high	94.4	Very high	170 Å²	170	38.6 Å²	38.6	64%	0.642	18%	0.182	S	C	*	.	H	α-helix	trans	-87.3	-15.7	173.5	-64.3	-172.9	-50.9	-86.3	5.1	113	G401 N402 L403 E407	G401-R405 WeakPolarHBondContact O-CG 3.47Å; G401-R405 PolarHBondContact O-N 2.79Å; G401-R405 PolarHBondContact O-NH1 3.34Å; N402-R405 PolarHBondContact O-N 2.95Å; N402-R405 PolarHBondContact OD1-NH2 3.19Å; L403-R405 VanDerWaalsContact C-N 3.28Å; L403-R405 PolarHBondContact O-N 2.81Å; R405-E407 PolarHBondContact O-N 2.9Å
406	N	91.7	Very high	94.3	Very high	21 Å²	21	37.9 Å²	37.9	11%	0.112	18%	0.181	C	C	.	.	S	Bend	trans	-67.7	122.5	177.8	-172.1	-65.4	0	0	0	110.5	N402 L403 Y408 I409 L454 D457	N402-N406 PolarHBondContact O-N 2.91Å; L403-N406 WeakPolarHBondContact O-CB 3.46Å; L403-N406 PolarHBondContact O-N 3.48Å; N406-Y408 PolarHBondContact O-N 3.1Å; N406-Y408 PolarHBondContact OD1-N 2.82Å; N406-I409 HydrophobicContact CB-CB 4.39Å; N406-I409 HydrophobicContact CB-CD1 4.07Å; N406-I409 HydrophobicContact CB-CG1 4.2Å; N406-I409 PolarHBondContact O-N 3.44Å; N406-L454 WeakPolarHBondContact ND2-CD2 3.46Å; N406-D457 PolarHBondContact ND2-OD2 3.43Å
407	E	89.7	Confident	94.1	Very high	148 Å²	148	43 Å²	43	69%	0.692	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.2	-173.2	-65.2	-163.5	140.8	0	0	114.2	R405 K442	R405-E407 PolarHBondContact O-N 2.9Å; E407-K442 WeakPolarHBondContact O-CD 3.37Å; E407-K442 WeakPolarHBondContact O-CE 3.47Å; E407-K442 PolarHBondContact O-NZ 3.28Å
408	Y	89.9	Confident	94	Very high	92 Å²	92	40.9 Å²	40.9	36%	0.361	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-4.6	-178.9	-55.8	-79.5	0	0	0	114.1	N406 F441 K442 V444 V450 I452	N406-Y408 PolarHBondContact O-N 3.1Å; N406-Y408 PolarHBondContact OD1-N 2.82Å; Y408-F441 CarbonylContact O-C 3.59Å; Y408-F441 VanDerWaalsContact O-CA 3.23Å; Y408-F441 WeakPolarHBondContact O-CA 3.36Å; Y408-K442 PolarHBondContact O-N 2.89Å; Y408-V444 HydrophobicContact CD1-CG2 4.3Å; Y408-V450 HydrophobicContact CD1-CG1 3.89Å; Y408-V450 HydrophobicContact CE1-CG1 3.78Å; Y408-I452 HydrophobicContact CD1-CG1 4.32Å; Y408-I452 HydrophobicContact CD2-CG1 4.3Å; Y408-I452 HydrophobicContact CD2-CG2 4.16Å; Y408-I452 HydrophobicContact CG-CD1 4.13Å; Y408-I452 HydrophobicContact CG-CG1 3.9Å; Y408-I452 HydrophobicContact CG-CG2 4.36Å
409	I	92.4	Very high	93.8	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	136.7	-177.4	-65.8	-178.9	0	0	0	111.2	L403 N406 I439 F441 K442 L454	L403-I409 HydrophobicContact CB-CD1 3.86Å; L403-I409 HydrophobicContact CD2-CD1 3.53Å; L403-I409 HydrophobicContact CG-CD1 4.26Å; L403-I409 VanDerWaalsContact O-CB 3.31Å; L403-I409 WeakPolarHBondContact O-CB 3.49Å; L403-I409 WeakPolarHBondContact O-CG2 3.1Å; N406-I409 HydrophobicContact CB-CB 4.39Å; N406-I409 HydrophobicContact CB-CD1 4.07Å; N406-I409 HydrophobicContact CB-CG1 4.2Å; N406-I409 PolarHBondContact O-N 3.44Å; I409-I439 HydrophobicContact CD1-CG2 4.32Å; I409-I439 HydrophobicContact CG1-CG2 4.32Å; I409-I439 HydrophobicContact CG2-CG2 4.5Å; I409-F441 HydrophobicContact CD1-CE1 4.35Å; I409-F441 HydrophobicContact CG1-CD1 3.88Å; I409-F441 HydrophobicContact CG1-CE1 3.9Å; I409-K442 WeakPolarHBondContact O-CE 3.39Å; I409-L454 HydrophobicContact CD1-CD2 3.93Å
410	T	93.9	Very high	93.5	Very high	78 Å²	78	43.9 Å²	43.9	48%	0.479	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-35.4	173.9	-46.7	0	0	0	0	111.6	I440 F441 K442	T410-I440 WeakPolarHBondContact CB-O 2.89Å; T410-I440 PolarHBondContact N-O 3.08Å; T410-F441 VanDerWaalsContact OG1-C 3.32Å; T410-F441 PolarHBondContact OG1-O 3.15Å; T410-K442 VanDerWaalsContact OG1-CA 3.26Å; T410-K442 WeakPolarHBondContact OG1-CA 3.3Å; T410-K442 VanDerWaalsContact OG1-CG 3.26Å; T410-K442 WeakPolarHBondContact OG1-CG 3.29Å; T410-K442 PolarHBondContact OG1-N 2.94Å; T410-K442 VanDerWaalsContact OG1-N 3.15Å
411	L	95.9	Very high	92.7	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.026	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	136.4	-172.4	-162	87.4	0	0	0	110.8	T333 I334 Y369 H413 I440	T333-L411 HydrophobicContact CG2-CD1 4.14Å; I334-L411 HydrophobicContact CD1-CD1 4.43Å; I334-L411 HydrophobicContact CD1-CD2 4.17Å; I334-L411 HydrophobicContact CD1-CG 4.41Å; I334-L411 HydrophobicContact CG1-CD1 4.21Å; I334-L411 HydrophobicContact CG1-CD2 3.93Å; I334-L411 HydrophobicContact CG1-CG 4.45Å; Y369-L411 HydrophobicContact CE1-CD2 3.96Å; L411-H413 HydrophobicContact CD2-CB 4.3Å; L411-I440 HydrophobicContact CB-CB 3.93Å; L411-I440 HydrophobicContact CB-CD1 4.07Å; L411-I440 HydrophobicContact CB-CG1 4.05Å; L411-I440 HydrophobicContact CD2-CD1 3.85Å; L411-I440 HydrophobicContact CD2-CG1 4.31Å; L411-I440 PolarHBondContact N-O 3.11Å; L411-I440 PolarHBondContact O-N 3.4Å
412	A	97.2	Very high	91.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	113.8	163.3	0	0	0	0	0	109.7	S330 V400 L403 I437 I439	S330-A412 WeakPolarHBondContact CB-O 3.42Å; S330-A412 PolarHBondContact OG-N 3.14Å; S330-A412 VanDerWaalsContact OG-N 3.1Å; V400-A412 HydrophobicContact CG1-CB 4.38Å; L403-A412 HydrophobicContact CB-CB 4.11Å; L403-A412 HydrophobicContact CD1-CB 4.09Å; A412-I437 HydrophobicContact CB-CG2 4.02Å; A412-I439 HydrophobicContact CB-CD1 3.98Å
413	H	97.1	Very high	89.9	Confident	9 Å²	9	53.4 Å²	53.4	4%	0.042	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	100.6	-178.9	-175.8	-179.5	0	0	0	110.5	F241 I334 F365 Y369 L411 I437 G438	F241-H413 AromaticContact CZ-CD2 3.77Å; F241-H413 AromaticContact CZ-NE2 3.81Å; I334-H413 HydrophobicContact CD1-CB 3.59Å; I334-H413 VanDerWaalsContact CD1-CG 3.47Å; I334-H413 HydrophobicContact CG1-CB 4.44Å; F365-H413 AromaticContact CD2-CE1 3.86Å; F365-H413 AromaticContact CD2-ND1 3.94Å; F365-H413 HydrophobicContact CE2-CB 4.3Å; F365-H413 AromaticContact CE2-CD2 3.93Å; F365-H413 AromaticContact CE2-CE1 3.93Å; F365-H413 AromaticContact CE2-CG 3.73Å; F365-H413 AromaticContact CE2-ND1 3.72Å; F365-H413 WeakPolarHBondContact CE2-O 3.12Å; F365-H413 WeakPolarHBondContact CZ-O 3.39Å; Y369-H413 HydrophobicContact CE1-CB 4.38Å; Y369-H413 HydrophobicContact CE2-CB 4.13Å; Y369-H413 AromaticContact CE2-ND1 3.61Å; Y369-H413 AromaticContact CZ-ND1 3.52Å; Y369-H413 PolarHBondContact OH-ND1 3.36Å; L411-H413 HydrophobicContact CD2-CB 4.3Å; H413-I437 CarbonylContact O-C 3.48Å; H413-I437 WeakPolarHBondContact O-CA 3.35Å; H413-G438 PolarHBondContact N-O 2.91Å; H413-G438 PolarHBondContact O-N 3.07Å
414	V	96.6	Very high	88	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.024	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	127.1	170.1	-171.9	0	0	0	0	109.3	L239 I396 V400 P416 I437	L239-V414 HydrophobicContact CD1-CG1 4.04Å; L239-V414 HydrophobicContact CD2-CG1 4.21Å; I396-V414 HydrophobicContact CG2-CB 4.49Å; I396-V414 HydrophobicContact CG2-CG1 3.91Å; I396-V414 HydrophobicContact CG2-CG2 3.7Å; V400-V414 HydrophobicContact CG2-CG2 3.29Å; V414-P416 WeakPolarHBondContact O-CD 3.27Å; V414-I437 HydrophobicContact CG2-CD1 4.2Å; V414-I437 HydrophobicContact CG2-CG1 4.1Å; V414-I437 HydrophobicContact CG2-CG2 4.15Å
415	N	95	Very high	85.9	Confident	18 Å²	18	65.2 Å²	65.2	10%	0.096	33%	0.332	C	S	.	.			trans	-72.5	122.8	163.3	-176.2	-2.2	0	0	0	109	F365 Q417 F436	F365-N415 HydrophobicContact CD1-CB 4.17Å; F365-N415 HydrophobicContact CD2-CB 4.29Å; F365-N415 HydrophobicContact CE1-CB 3.83Å; F365-N415 HydrophobicContact CE2-CB 3.94Å; F365-N415 HydrophobicContact CG-CB 4.41Å; F365-N415 HydrophobicContact CZ-CB 3.71Å; N415-Q417 PolarHBondContact O-N 3.18Å; N415-Q417 PolarHBondContact OD1-N 3.36Å; N415-Q417 VanDerWaalsContact OD1-N 3.11Å; N415-F436 PolarHBondContact N-O 3.48Å
416	P	91.9	Very high	84	Confident	23 Å²	23	62.4 Å²	62.4	15%	0.149	32%	0.321	C	S	.	.	S	Bend	trans	-66.4	-13.2	178.1	-23.3	35.9	0	0	0	115.2	G233 L239 F241 V414	G233-P416 WeakPolarHBondContact O-CD 3.41Å; G233-P416 VanDerWaalsContact O-CG 3.23Å; G233-P416 WeakPolarHBondContact O-CG 3.42Å; L239-P416 HydrophobicContact CD1-CB 3.99Å; L239-P416 HydrophobicContact CD1-CG 4.47Å; F241-P416 HydrophobicContact CD2-CG 3.99Å; F241-P416 HydrophobicContact CE2-CG 3.98Å; V414-P416 WeakPolarHBondContact O-CD 3.27Å
417	Q	91.1	Very high	82.3	Confident	109 Å²	109	66.7 Å²	66.7	51%	0.509	34%	0.344	S	S	.	.			trans	-84.6	127	172.2	-176.1	169.2	21.8	0	0	110.7	N415 F419	N415-Q417 PolarHBondContact O-N 3.18Å; N415-Q417 PolarHBondContact OD1-N 3.36Å; N415-Q417 VanDerWaalsContact OD1-N 3.11Å; Q417-F419 HydrophobicContact CB-CE2 4.09Å; Q417-F419 HydrophobicContact CB-CZ 4.06Å; Q417-F419 HydrophobicContact CG-CE1 4.17Å; Q417-F419 HydrophobicContact CG-CE2 3.99Å; Q417-F419 HydrophobicContact CG-CZ 3.73Å; Q417-F419 WeakPolarHBondContact O-CD2 3.43Å; Q417-F419 WeakPolarHBondContact O-CE2 3.39Å
418	S	92.3	Very high	80.7	Confident	42 Å²	42	68.7 Å²	68.7	29%	0.294	35%	0.354	S	S	.	.			trans	-84.9	157.5	165.4	65.6	0	0	0	0	111.2	M434	S418-M434 CarbonylContact C-O 3.59Å; S418-M434 WeakPolarHBondContact CA-O 3.44Å
419	F	91.3	Very high	79.1	Confident	16 Å²	16	70 Å²	70	7%	0.07	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	140.2	-177.6	-62.5	-91.4	0	0	0	110.5	F366 Q417 S433 M434 F436 L495 L499	F366-F419 HydrophobicContact CE2-CZ 4.1Å; F366-F419 HydrophobicContact CZ-CE1 4.43Å; F366-F419 AromaticContact CZ-CE2 3.81Å; F366-F419 HydrophobicContact CZ-CE2 3.81Å; F366-F419 AromaticContact CZ-CZ 3.71Å; F366-F419 HydrophobicContact CZ-CZ 3.71Å; Q417-F419 HydrophobicContact CB-CE2 4.09Å; Q417-F419 HydrophobicContact CB-CZ 4.06Å; Q417-F419 HydrophobicContact CG-CE1 4.17Å; Q417-F419 HydrophobicContact CG-CE2 3.99Å; Q417-F419 HydrophobicContact CG-CZ 3.73Å; Q417-F419 WeakPolarHBondContact O-CD2 3.43Å; Q417-F419 WeakPolarHBondContact O-CE2 3.39Å; F419-S433 CarbonylContact O-C 3.58Å; F419-S433 WeakPolarHBondContact O-CA 3.39Å; F419-M434 PolarHBondContact N-O 3.39Å; F419-M434 PolarHBondContact O-N 3.09Å; F419-F436 HydrophobicContact CB-CE2 4.22Å; F419-F436 AromaticContact CD2-CD2 3.71Å; F419-F436 HydrophobicContact CD2-CD2 3.71Å; F419-F436 AromaticContact CD2-CE2 3.72Å; F419-F436 HydrophobicContact CD2-CE2 3.72Å; F419-F436 HydrophobicContact CE2-CD2 4.14Å; F419-F436 HydrophobicContact CE2-CE2 4.48Å; F419-F436 HydrophobicContact CG-CE2 4.15Å; F419-L495 HydrophobicContact CB-CD2 4.29Å; F419-L495 HydrophobicContact CD1-CD2 3.87Å; F419-L495 HydrophobicContact CD2-CD2 4.41Å; F419-L495 HydrophobicContact CE1-CD2 4.36Å; F419-L495 HydrophobicContact CG-CD2 3.91Å; F419-L499 HydrophobicContact CD1-CD1 4.14Å; F419-L499 HydrophobicContact CE1-CD1 3.75Å
420	P	88.7	Confident	78.1	Confident	99 Å²	99	70.9 Å²	70.9	64%	0.643	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	144.9	176.1	28.8	-34.9	0	0	0	111.2	V432 M434	P420-V432 WeakPolarHBondContact CA-O 3.34Å; P420-M434 WeakPolarHBondContact O-CE 3.31Å
421	G	80.6	Confident	77.9	Confident	9 Å²	9	70.2 Å²	70.2	9%	0.093	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-61.9	148.2	174.9	0	0	0	0	0	113.1	V432	G421-V432 PolarHBondContact N-O 3.28Å
422	S	69.2	Low	77.6	Confident	54 Å²	54	71.4 Å²	71.4	38%	0.378	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-59	147.8	178.4	-165.7	0	0	0	0	111.6	D424	S422-D424 VanDerWaalsContact C-N 3.33Å; S422-D424 PolarHBondContact OG-OD2 3.38Å
423	K	60.2	Low	77.4	Confident	168 Å²	168	72 Å²	72	73%	0.73	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-73.2	-26.7	-179.8	-66.5	-171.9	176.3	-172.9	0	112.7	N425 R426	K423-N425 VanDerWaalsContact C-N 3.26Å; K423-N425 PolarHBondContact O-N 3.44Å; K423-R426 WeakPolarHBondContact O-CB 3.46Å; K423-R426 PolarHBondContact O-N 3.44Å
424	D	55.8	Low	77.3	Confident	141 Å²	141	72 Å²	72	75%	0.754	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-71.9	-15.9	-167.3	-42.1	-53.2	0	0	0	114.5	S422	S422-D424 VanDerWaalsContact C-N 3.33Å; S422-D424 PolarHBondContact OG-OD2 3.38Å
425	N	50.3	Low	77.3	Confident	157 Å²	157	71.9 Å²	71.9	84%	0.84	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-112.7	17.5	177.8	-77.2	-17.1	0	0	0	112.9	K423 N427	K423-N425 VanDerWaalsContact C-N 3.26Å; K423-N425 PolarHBondContact O-N 3.44Å; N425-N427 PolarHBondContact O-N 3.47Å
426	R	52.6	Low	77.3	Confident	111 Å²	111	71 Å²	71	42%	0.419	37%	0.368	S	S	.	.			trans	-75.9	124	-180	-76.7	-178.6	174.1	-126.2	-2.3	111.7	K423	K423-R426 WeakPolarHBondContact O-CB 3.46Å; K423-R426 PolarHBondContact O-N 3.44Å
427	N	56.6	Low	77.6	Confident	112 Å²	112	69.9 Å²	69.9	60%	0.599	36%	0.361	S	S	*	.			trans	-66.9	143.6	139.6	-50.8	-60.5	0	0	0	106.9	N425 N429 D430	N425-N427 PolarHBondContact O-N 3.47Å; N427-N429 PolarHBondContact O-N 2.85Å; N427-D430 WeakPolarHBondContact CB-OD2 3.3Å; N427-D430 PolarHBondContact ND2-OD2 3.2Å; N427-D430 PolarHBondContact O-N 3.32Å; N427-D430 VanDerWaalsContact O-N 3.15Å
428	E	55.5	Low	77.9	Confident	190 Å²	190	64.7 Å²	64.7	89%	0.888	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.3	-165.5	-61.8	-173.9	127	0	0	114.7
429	N	57.5	Low	78	Confident	119 Å²	119	62.9 Å²	62.9	64%	0.636	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	0.1	-175.2	-57.8	-34	0	0	0	115.1	S380 N427 F431	S380-N429 CarbonylContact C-O 3.58Å; S380-N429 WeakPolarHBondContact CA-O 3.48Å; N427-N429 PolarHBondContact O-N 2.85Å; N429-F431 WeakPolarHBondContact O-CD2 3.41Å
430	D	72.1	Confident	78.2	Confident	24 Å²	24	65.2 Å²	65.2	13%	0.128	34%	0.336	C	S	.	.			trans	-87.1	114.4	-176.9	-74.6	-35.4	0	0	0	112	N427 V432	N427-D430 WeakPolarHBondContact CB-OD2 3.3Å; N427-D430 PolarHBondContact ND2-OD2 3.2Å; N427-D430 PolarHBondContact O-N 3.32Å; N427-D430 VanDerWaalsContact O-N 3.15Å; D430-V432 HydrophobicContact CB-CG2 4.37Å
431	F	87.9	Confident	78.3	Confident	65 Å²	65	61.7 Å²	61.7	29%	0.285	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	135.2	168.9	-63.5	-99.8	0	0	0	108.9	S378 A379 T381 E382 H385 N429	S378-F431 CarbonylContact C-O 3.35Å; S378-F431 WeakPolarHBondContact CA-O 3.4Å; S378-F431 WeakPolarHBondContact CB-O 3.23Å; A379-F431 PolarHBondContact N-O 3.02Å; A379-F431 VanDerWaalsContact N-O 3.1Å; A379-F431 WeakPolarHBondContact O-CB 3.5Å; A379-F431 PolarHBondContact O-N 3.14Å; T381-F431 VanDerWaalsContact C-CD2 3.5Å; E382-F431 HydrophobicContact CB-CD1 3.99Å; E382-F431 HydrophobicContact CB-CE1 3.58Å; E382-F431 HydrophobicContact CB-CE2 4.41Å; E382-F431 HydrophobicContact CB-CZ 3.82Å; E382-F431 HydrophobicContact CG-CD1 3.81Å; E382-F431 HydrophobicContact CG-CE1 3.59Å; E382-F431 HydrophobicContact CG-CZ 4.34Å; H385-F431 HydrophobicContact CB-CB 3.76Å; H385-F431 HydrophobicContact CB-CG 4.47Å; H385-F431 PolarHBondContact ND1-O 3.47Å; N429-F431 WeakPolarHBondContact O-CD2 3.41Å
432	V	90.7	Very high	78.6	Confident	29 Å²	29	66.3 Å²	66.3	18%	0.176	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	130.7	-167.7	-171.7	0	0	0	0	112.1	T376 A377 P420 G421 D430	T376-V432 HydrophobicContact CG2-CG1 3.5Å; A377-V432 WeakPolarHBondContact O-CA 3.15Å; P420-V432 WeakPolarHBondContact CA-O 3.34Å; G421-V432 PolarHBondContact N-O 3.28Å; D430-V432 HydrophobicContact CB-CG2 4.37Å
433	S	93.5	Very high	78.9	Confident	14 Å²	14	72.8 Å²	72.8	10%	0.098	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	148.8	171.8	-65.7	0	0	0	0	111	T376 A377 H385 F419 W435	T376-S433 WeakPolarHBondContact CA-O 3.47Å; A377-S433 PolarHBondContact N-O 3.11Å; A377-S433 PolarHBondContact O-N 3.44Å; H385-S433 PolarHBondContact CE1-N 3.03Å; H385-S433 PolarHBondContact NE2-OG 3.5Å; F419-S433 CarbonylContact O-C 3.58Å; F419-S433 WeakPolarHBondContact O-CA 3.39Å; S433-W435 VanDerWaalsContact CB-CH2 3.46Å
434	M	94.8	Very high	79.4	Confident	8 Å²	8	68.1 Å²	68.1	4%	0.039	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	134.5	-175.4	-58.8	-176.9	-58.3	0	0	112	V374 L375 T376 S418 F419 P420 F436 Y494	V374-M434 HydrophobicContact CG1-CB 4.16Å; V374-M434 HydrophobicContact CG1-CG 4.41Å; V374-M434 HydrophobicContact CG1-SD 4.18Å; L375-M434 CarbonylContact O-C 3.59Å; L375-M434 VanDerWaalsContact O-CA 3.25Å; L375-M434 WeakPolarHBondContact O-CA 3.3Å; T376-M434 HydrophobicContact CG2-CG 4.21Å; S418-M434 CarbonylContact C-O 3.59Å; S418-M434 WeakPolarHBondContact CA-O 3.44Å; F419-M434 PolarHBondContact N-O 3.39Å; F419-M434 PolarHBondContact O-N 3.09Å; P420-M434 WeakPolarHBondContact O-CE 3.31Å; M434-F436 HydrophobicContact CB-CE2 4.12Å; M434-F436 HydrophobicContact CE-CZ 4.28Å; M434-Y494 WeakPolarHBondContact CE-O 3.01Å; M434-Y494 HydrophobicContact SD-CD1 4Å
435	W	96.1	Very high	79.5	Confident	1 Å²	1	68.9 Å²	68.9	0%	0.004	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	148.6	169.5	-64.3	-108.1	0	0	0	109.5	V374 L375 A377 I389 E393 I396 S433	V374-W435 WeakPolarHBondContact CA-O 3.36Å; L375-W435 PolarHBondContact N-O 3.04Å; L375-W435 PolarHBondContact O-N 3.33Å; A377-W435 HydrophobicContact CB-CZ3 4.07Å; I389-W435 HydrophobicContact CB-CH2 3.71Å; I389-W435 HydrophobicContact CB-CZ2 4.3Å; I389-W435 HydrophobicContact CD1-CH2 4.42Å; I389-W435 HydrophobicContact CG2-CH2 3.76Å; I389-W435 HydrophobicContact CG2-CZ3 4.4Å; E393-W435 HydrophobicContact CB-CZ2 4.47Å; E393-W435 PolarHBondContact OE2-NE1 3.47Å; I396-W435 HydrophobicContact CD1-CB 4.01Å; I396-W435 HydrophobicContact CD1-CD2 3.82Å; I396-W435 HydrophobicContact CD1-CG 3.52Å; S433-W435 VanDerWaalsContact CB-CH2 3.46Å
436	F	95.9	Very high	79.9	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125	-179.1	-66.4	-99	0	0	0	110.4	F365 F366 V374 N415 F419 M434 L491 L495	F365-F436 HydrophobicContact CE1-CB 3.92Å; F365-F436 WeakPolarHBondContact CZ-O 3.45Å; F366-F436 HydrophobicContact CE1-CB 3.95Å; F366-F436 HydrophobicContact CE1-CD1 4.1Å; F366-F436 HydrophobicContact CE1-CD2 4.05Å; F366-F436 AromaticContact CE1-CG 3.77Å; F366-F436 HydrophobicContact CE1-CG 3.77Å; F366-F436 HydrophobicContact CZ-CD2 4.44Å; V374-F436 HydrophobicContact CB-CE1 4.32Å; V374-F436 HydrophobicContact CG1-CD1 4.32Å; V374-F436 HydrophobicContact CG1-CE1 3.87Å; V374-F436 HydrophobicContact CG1-CZ 3.99Å; V374-F436 HydrophobicContact CG2-CD1 3.83Å; V374-F436 HydrophobicContact CG2-CE1 3.6Å; V374-F436 HydrophobicContact CG2-CZ 4.49Å; N415-F436 PolarHBondContact N-O 3.48Å; F419-F436 HydrophobicContact CB-CE2 4.22Å; F419-F436 AromaticContact CD2-CD2 3.71Å; F419-F436 HydrophobicContact CD2-CD2 3.71Å; F419-F436 AromaticContact CD2-CE2 3.72Å; F419-F436 HydrophobicContact CD2-CE2 3.72Å; F419-F436 HydrophobicContact CE2-CD2 4.14Å; F419-F436 HydrophobicContact CE2-CE2 4.48Å; F419-F436 HydrophobicContact CG-CE2 4.15Å; M434-F436 HydrophobicContact CB-CE2 4.12Å; M434-F436 HydrophobicContact CE-CZ 4.28Å; F436-L491 HydrophobicContact CD1-CD2 3.89Å; F436-L491 HydrophobicContact CE1-CD2 3.84Å; F436-L495 HydrophobicContact CD1-CD1 4.31Å; F436-L495 HydrophobicContact CE1-CD1 3.81Å; F436-L495 HydrophobicContact CE1-CG 4.1Å; F436-L495 HydrophobicContact CE2-CD1 4.19Å; F436-L495 HydrophobicContact CE2-CD2 3.75Å; F436-L495 HydrophobicContact CE2-CG 4.13Å; F436-L495 HydrophobicContact CZ-CD1 3.75Å; F436-L495 HydrophobicContact CZ-CD2 3.73Å; F436-L495 HydrophobicContact CZ-CG 3.62Å
437	I	97.3	Very high	80.2	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	106.6	179.6	-45.6	-177.3	0	0	0	108.6	Y372 I373 I396 L399 A412 H413 V414 I439	Y372-I437 CarbonylContact C-O 3.46Å; Y372-I437 WeakPolarHBondContact CA-O 3.35Å; I373-I437 HydrophobicContact CB-CB 4.35Å; I373-I437 PolarHBondContact N-O 3.03Å; I373-I437 PolarHBondContact O-N 3.44Å; I396-I437 HydrophobicContact CG2-CD1 4.09Å; L399-I437 HydrophobicContact CD2-CD1 3.72Å; L399-I437 HydrophobicContact CG-CD1 4.31Å; A412-I437 HydrophobicContact CB-CG2 4.02Å; H413-I437 CarbonylContact O-C 3.48Å; H413-I437 WeakPolarHBondContact O-CA 3.35Å; V414-I437 HydrophobicContact CG2-CD1 4.2Å; V414-I437 HydrophobicContact CG2-CG1 4.1Å; V414-I437 HydrophobicContact CG2-CG2 4.15Å; I437-I439 HydrophobicContact CG2-CD1 3.92Å
438	G	96.8	Very high	80.1	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	127	177.2	0	0	0	0	0	111.6	H413	H413-G438 PolarHBondContact N-O 2.91Å; H413-G438 PolarHBondContact O-N 3.07Å
439	I	95.4	Very high	80.6	Confident	4 Å²	4	62.1 Å²	62.1	2%	0.021	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.5	-173.9	-52.3	-59.7	0	0	0	111	H371 I373 L403 I409 A412 I437 F441	H371-I439 HydrophobicContact CB-CB 4.41Å; H371-I439 PolarHBondContact O-N 3.08Å; I373-I439 HydrophobicContact CD1-CD1 4.13Å; I373-I439 HydrophobicContact CD1-CG1 4.37Å; I373-I439 HydrophobicContact CG1-CD1 4.48Å; I373-I439 HydrophobicContact CG1-CG1 4.28Å; L403-I439 HydrophobicContact CD1-CD1 4.13Å; I409-I439 HydrophobicContact CD1-CG2 4.32Å; I409-I439 HydrophobicContact CG1-CG2 4.32Å; I409-I439 HydrophobicContact CG2-CG2 4.5Å; A412-I439 HydrophobicContact CB-CD1 3.98Å; I437-I439 HydrophobicContact CG2-CD1 3.92Å; I439-F441 HydrophobicContact CG2-CD1 4.06Å; I439-F441 HydrophobicContact CG2-CD2 4.29Å; I439-F441 HydrophobicContact CG2-CE1 3.74Å; I439-F441 HydrophobicContact CG2-CE2 3.99Å; I439-F441 HydrophobicContact CG2-CG 4.34Å; I439-F441 HydrophobicContact CG2-CZ 3.7Å
440	I	94.2	Very high	81.3	Confident	65 Å²	65	57.6 Å²	57.6	33%	0.333	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	120.4	162.2	-55.3	-178.2	0	0	0	107.9	Y369 T410 L411	Y369-I440 HydrophobicContact CD1-CD1 4.29Å; Y369-I440 HydrophobicContact CD1-CG1 3.65Å; Y369-I440 HydrophobicContact CE1-CD1 3.84Å; Y369-I440 HydrophobicContact CE1-CG1 3.63Å; T410-I440 WeakPolarHBondContact CB-O 2.89Å; T410-I440 PolarHBondContact N-O 3.08Å; L411-I440 HydrophobicContact CB-CB 3.93Å; L411-I440 HydrophobicContact CB-CD1 4.07Å; L411-I440 HydrophobicContact CB-CG1 4.05Å; L411-I440 HydrophobicContact CD2-CD1 3.85Å; L411-I440 HydrophobicContact CD2-CG1 4.31Å; L411-I440 PolarHBondContact N-O 3.11Å; L411-I440 PolarHBondContact O-N 3.4Å
441	F	90.8	Very high	81.5	Confident	25 Å²	25	62.3 Å²	62.3	11%	0.11	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	150.8	169.8	-61.9	-70.5	0	0	0	111.2	H371 Y408 I409 T410 I439 I452 L454 L747 L749	H371-F441 HydrophobicContact CB-CE2 3.9Å; H371-F441 AromaticContact CD2-CD2 3.99Å; H371-F441 AromaticContact CD2-CE2 3.84Å; H371-F441 AromaticContact CG-CE2 3.71Å; Y408-F441 CarbonylContact O-C 3.59Å; Y408-F441 VanDerWaalsContact O-CA 3.23Å; Y408-F441 WeakPolarHBondContact O-CA 3.36Å; I409-F441 HydrophobicContact CD1-CE1 4.35Å; I409-F441 HydrophobicContact CG1-CD1 3.88Å; I409-F441 HydrophobicContact CG1-CE1 3.9Å; T410-F441 VanDerWaalsContact OG1-C 3.32Å; T410-F441 PolarHBondContact OG1-O 3.15Å; I439-F441 HydrophobicContact CG2-CD1 4.06Å; I439-F441 HydrophobicContact CG2-CD2 4.29Å; I439-F441 HydrophobicContact CG2-CE1 3.74Å; I439-F441 HydrophobicContact CG2-CE2 3.99Å; I439-F441 HydrophobicContact CG2-CG 4.34Å; I439-F441 HydrophobicContact CG2-CZ 3.7Å; F441-I452 HydrophobicContact CB-CD1 4.37Å; F441-I452 HydrophobicContact CD1-CD1 3.35Å; F441-I452 HydrophobicContact CE1-CD1 3.64Å; F441-I452 HydrophobicContact CE1-CG2 4.33Å; F441-I452 HydrophobicContact CG-CD1 3.86Å; F441-I452 HydrophobicContact CZ-CD1 4.36Å; F441-L454 HydrophobicContact CE1-CD1 4.45Å; F441-L454 HydrophobicContact CZ-CD1 4.46Å; F441-L747 HydrophobicContact CZ-CD1 3.78Å; F441-L749 HydrophobicContact CB-CD1 3.86Å; F441-L749 HydrophobicContact CD1-CD1 4.39Å; F441-L749 HydrophobicContact CD2-CD1 3.56Å; F441-L749 HydrophobicContact CD2-CD2 4.23Å; F441-L749 HydrophobicContact CD2-CG 4.49Å; F441-L749 HydrophobicContact CE2-CD1 4.17Å; F441-L749 HydrophobicContact CE2-CD2 4.22Å; F441-L749 HydrophobicContact CG-CD1 3.68Å
442	K	87.3	Confident	81.3	Confident	106 Å²	106	59.4 Å²	59.4	46%	0.461	31%	0.306	S	S	.	.			trans	-64.7	146.3	172.7	-64.8	-175.1	-160.2	162.3	0	109.4	E407 Y408 I409 T410 V444	E407-K442 WeakPolarHBondContact O-CD 3.37Å; E407-K442 WeakPolarHBondContact O-CE 3.47Å; E407-K442 PolarHBondContact O-NZ 3.28Å; Y408-K442 PolarHBondContact O-N 2.89Å; I409-K442 WeakPolarHBondContact O-CE 3.39Å; T410-K442 VanDerWaalsContact OG1-CA 3.26Å; T410-K442 WeakPolarHBondContact OG1-CA 3.3Å; T410-K442 VanDerWaalsContact OG1-CG 3.26Å; T410-K442 WeakPolarHBondContact OG1-CG 3.29Å; T410-K442 PolarHBondContact OG1-N 2.94Å; T410-K442 VanDerWaalsContact OG1-N 3.15Å; K442-V444 PolarHBondContact O-N 2.98Å
443	K	76.8	Confident	81	Confident	190 Å²	190	61.4 Å²	61.4	83%	0.826	32%	0.315	S	S	*	.			trans	-76.3	108.2	168.6	-65.5	-177.8	-175.3	174	0	108
444	V	68.8	Low	80.8	Confident	69 Å²	69	60.8 Å²	60.8	42%	0.418	31%	0.311	S	S	.	.			trans	-84.1	115.1	166.5	-177.9	0	0	0	0	106.9	Y408 K442 A447 V450	Y408-V444 HydrophobicContact CD1-CG2 4.3Å; K442-V444 PolarHBondContact O-N 2.98Å; V444-A447 HydrophobicContact CG1-CB 3.9Å; V444-V450 HydrophobicContact CB-CG2 4.05Å; V444-V450 HydrophobicContact CG1-CG2 4.34Å; V444-V450 HydrophobicContact CG2-CG2 4.14Å
445	E	59.8	Low	80.5	Confident	158 Å²	158	61.8 Å²	61.8	74%	0.738	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-21.5	-169.3	-55.6	-163.6	134.3	0	0	113.1
446	N	57.4	Low	80.2	Confident	162 Å²	162	69.4 Å²	69.4	87%	0.866	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	23	-170.4	-62.9	-15.9	0	0	0	114.5
447	A	58.4	Low	80	Confident	33 Å²	33	70.1 Å²	70.1	27%	0.273	36%	0.355	S	S	.	.			trans	-134.2	133.5	179.2	0	0	0	0	0	112.3	V444 V450	V444-A447 HydrophobicContact CG1-CB 3.9Å; A447-V450 HydrophobicContact CB-CG2 3.65Å
448	E	56	Low	79.7	Confident	171 Å²	171	70.1 Å²	70.1	80%	0.799	36%	0.355	S	S	*	.	S	Bend	trans	-76.4	-36.9	177.8	-59.4	-165.9	135.9	0	0	112.4	R751	E448-R751 WeakPolarHBondContact O-CB 3.37Å; E448-R751 PolarHBondContact O-N 3.01Å
449	S	64.4	Low	79.5	Confident	61 Å²	61	71.8 Å²	71.8	43%	0.427	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	145.6	165.5	63.3	0	0	0	0	110.4	L749 N750	S449-L749 VanDerWaalsContact CA-O 3.31Å; S449-L749 WeakPolarHBondContact CA-O 3.3Å; S449-N750 WeakPolarHBondContact CB-OD1 3.27Å
450	V	72.5	Confident	79.4	Confident	24 Å²	24	73.4 Å²	73.4	15%	0.145	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.3	172.3	-176.3	0	0	0	0	108.2	Y408 V444 A447 I452 L747 L749	Y408-V450 HydrophobicContact CD1-CG1 3.89Å; Y408-V450 HydrophobicContact CE1-CG1 3.78Å; V444-V450 HydrophobicContact CB-CG2 4.05Å; V444-V450 HydrophobicContact CG1-CG2 4.34Å; V444-V450 HydrophobicContact CG2-CG2 4.14Å; A447-V450 HydrophobicContact CB-CG2 3.65Å; V450-I452 HydrophobicContact CG1-CG1 3.82Å; V450-L747 VanDerWaalsContact O-O 3.07Å; V450-L749 PolarHBondContact N-O 3.11Å; V450-L749 VanDerWaalsContact N-O 3.15Å; V450-L749 PolarHBondContact O-N 2.96Å
451	N	77.1	Confident	79.4	Confident	124 Å²	124	70.4 Å²	70.4	66%	0.663	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	99.6	172.3	-72.1	-39.7	0	0	0	108.9	L747 A748	N451-L747 WeakPolarHBondContact CA-O 3.4Å; N451-A748 WeakPolarHBondContact OD1-CA 3.44Å; N451-A748 WeakPolarHBondContact OD1-CB 3.34Å
452	I	83.3	Confident	79.6	Confident	4 Å²	4	69.2 Å²	69.2	2%	0.021	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	123.4	177	-54.7	174.2	0	0	0	108.4	Y408 F441 V450 L454 L747 L749	Y408-I452 HydrophobicContact CD1-CG1 4.32Å; Y408-I452 HydrophobicContact CD2-CG1 4.3Å; Y408-I452 HydrophobicContact CD2-CG2 4.16Å; Y408-I452 HydrophobicContact CG-CD1 4.13Å; Y408-I452 HydrophobicContact CG-CG1 3.9Å; Y408-I452 HydrophobicContact CG-CG2 4.36Å; F441-I452 HydrophobicContact CB-CD1 4.37Å; F441-I452 HydrophobicContact CD1-CD1 3.35Å; F441-I452 HydrophobicContact CE1-CD1 3.64Å; F441-I452 HydrophobicContact CE1-CG2 4.33Å; F441-I452 HydrophobicContact CG-CD1 3.86Å; F441-I452 HydrophobicContact CZ-CD1 4.36Å; V450-I452 HydrophobicContact CG1-CG1 3.82Å; I452-L454 HydrophobicContact CG2-CD2 3.65Å; I452-L454 HydrophobicContact CG2-CG 4.12Å; I452-L747 HydrophobicContact CB-CB 4.4Å; I452-L747 PolarHBondContact N-O 3.16Å; I452-L747 WeakPolarHBondContact O-CB 3.49Å; I452-L747 PolarHBondContact O-N 3.32Å; I452-L749 HydrophobicContact CD1-CD1 3.45Å; I452-L749 VanDerWaalsContact CD1-CD1 3.45Å; I452-L749 HydrophobicContact CD1-CG 4.11Å; I452-L749 HydrophobicContact CG1-CD1 4.44Å
453	D	84.8	Confident	79.8	Confident	71 Å²	71	67.3 Å²	67.3	38%	0.38	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	119.8	170.6	-162.1	-17.2	0	0	0	109.4	T455 K746	D453-T455 WeakPolarHBondContact OD1-CB 3.48Å; D453-T455 PolarHBondContact OD1-N 3.07Å; D453-T455 PolarHBondContact OD1-OG1 2.87Å; D453-K746 HydrophobicContact CB-CG 4.27Å; D453-K746 WeakPolarHBondContact OD2-CE 3.12Å; D453-K746 IonicContact OD2-NZ 2.66Å
454	L	89.4	Confident	80.6	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.315	C	S	.	.			trans	-105.9	4	174.8	-56.7	-176.7	0	0	0	112	I373 L403 N406 I409 F441 I452 F456 D457 I458 I745 L747	I373-L454 HydrophobicContact CD1-CD1 4.43Å; L403-L454 HydrophobicContact CD2-CD1 4.4Å; L403-L454 HydrophobicContact CD2-CD2 4.4Å; N406-L454 WeakPolarHBondContact ND2-CD2 3.46Å; I409-L454 HydrophobicContact CD1-CD2 3.93Å; F441-L454 HydrophobicContact CE1-CD1 4.45Å; F441-L454 HydrophobicContact CZ-CD1 4.46Å; I452-L454 HydrophobicContact CG2-CD2 3.65Å; I452-L454 HydrophobicContact CG2-CG 4.12Å; L454-F456 VanDerWaalsContact C-N 3.27Å; L454-F456 PolarHBondContact O-N 2.97Å; L454-D457 PolarHBondContact O-N 2.84Å; L454-I458 HydrophobicContact CB-CD1 4.03Å; L454-I458 WeakPolarHBondContact O-CB 3.27Å; L454-I458 WeakPolarHBondContact O-CG1 3.38Å; L454-I458 PolarHBondContact O-N 3.13Å; L454-I458 VanDerWaalsContact O-N 3.14Å; L454-I745 HydrophobicContact CB-CB 4.43Å; L454-I745 HydrophobicContact CB-CG2 4.04Å; L454-I745 HydrophobicContact CD1-CG2 4.45Å; L454-I745 PolarHBondContact N-O 3.25Å; L454-L747 HydrophobicContact CD1-CD1 3.77Å; L454-L747 HydrophobicContact CG-CD1 4.21Å
455	T	87.6	Confident	81.8	Confident	30 Å²	30	55.9 Å²	55.9	18%	0.184	30%	0.295	C	S	.	.	H	α-helix	trans	-54.3	-43.6	-178.6	-54.4	0	0	0	0	111.5	D453 Q459 S744 I745	D453-T455 WeakPolarHBondContact OD1-CB 3.48Å; D453-T455 PolarHBondContact OD1-N 3.07Å; D453-T455 PolarHBondContact OD1-OG1 2.87Å; T455-Q459 WeakPolarHBondContact O-CB 3.2Å; T455-Q459 PolarHBondContact O-N 3.14Å; T455-S744 VanDerWaalsContact OG1-CA 3.25Å; T455-S744 WeakPolarHBondContact OG1-CA 3.44Å; T455-I745 PolarHBondContact OG1-N 2.83Å
456	F	89.8	Confident	83.5	Confident	160 Å²	160	50.6 Å²	50.6	70%	0.702	27%	0.269	S	S	*	.	H	α-helix	trans	-68	-47.8	-178	-178.3	-95.8	0	0	0	112.7	L454 I458 Q459 S460	L454-F456 VanDerWaalsContact C-N 3.27Å; L454-F456 PolarHBondContact O-N 2.97Å; F456-I458 PolarHBondContact O-N 2.7Å; F456-Q459 PolarHBondContact O-N 3.19Å; F456-S460 WeakPolarHBondContact O-CB 3.31Å; F456-S460 PolarHBondContact O-N 2.9Å
457	D	92	Very high	85.2	Confident	16 Å²	16	48.6 Å²	48.6	9%	0.086	25%	0.249	C	C	.	.	H	α-helix	trans	-58.9	-38.5	179.9	-67.5	-48.1	0	0	0	112.1	N402 L403 N406 L454 F461	N402-D457 HydrophobicContact CB-CB 4.08Å; N402-D457 PolarHBondContact ND2-O 3.47Å; L403-D457 HydrophobicContact CD2-CB 4.34Å; N406-D457 PolarHBondContact ND2-OD2 3.43Å; L454-D457 PolarHBondContact O-N 2.84Å; D457-F461 PolarHBondContact O-N 3.07Å
458	I	91.8	Very high	86.7	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-78.7	-46.1	-178.3	-71.3	173.8	0	0	0	111.2	I373 L399 L454 F456 F461 T462 A483 N743 I745	I373-I458 HydrophobicContact CD1-CD1 4.09Å; L399-I458 HydrophobicContact CD1-CG1 4.09Å; L454-I458 HydrophobicContact CB-CD1 4.03Å; L454-I458 WeakPolarHBondContact O-CB 3.27Å; L454-I458 WeakPolarHBondContact O-CG1 3.38Å; L454-I458 PolarHBondContact O-N 3.13Å; L454-I458 VanDerWaalsContact O-N 3.14Å; F456-I458 PolarHBondContact O-N 2.7Å; I458-F461 WeakPolarHBondContact O-CB 3.5Å; I458-F461 PolarHBondContact O-N 2.86Å; I458-T462 PolarHBondContact O-N 2.94Å; I458-T462 PolarHBondContact O-OG1 2.95Å; I458-A483 HydrophobicContact CG2-CB 3.6Å; I458-N743 HydrophobicContact CG2-CB 4.45Å; I458-I745 HydrophobicContact CD1-CB 4.35Å; I458-I745 HydrophobicContact CD1-CD1 3.44Å; I458-I745 VanDerWaalsContact CD1-CD1 3.44Å; I458-I745 HydrophobicContact CD1-CG1 4.44Å
459	Q	91.6	Very high	88.3	Confident	34 Å²	34	42.3 Å²	42.3	16%	0.159	21%	0.214	C	C	.	.	H	α-helix	trans	-62.4	-44.9	176.3	-168.1	66.8	69.3	0	0	111	T455 F456 F461 T462 D463	T455-Q459 WeakPolarHBondContact O-CB 3.2Å; T455-Q459 PolarHBondContact O-N 3.14Å; F456-Q459 PolarHBondContact O-N 3.19Å; Q459-F461 PolarHBondContact O-N 3.37Å; Q459-T462 PolarHBondContact O-N 2.87Å; Q459-T462 VanDerWaalsContact O-N 3.15Å; Q459-D463 PolarHBondContact NE2-OD1 2.93Å; Q459-D463 WeakPolarHBondContact O-CB 3.35Å; Q459-D463 PolarHBondContact O-N 3.18Å
460	S	93.2	Very high	89.6	Confident	39 Å²	39	43.2 Å²	43.2	27%	0.273	21%	0.214	S	C	.	.	H	α-helix	trans	-57	-37.1	175.4	179.4	0	0	0	0	112.7	F456 T464	F456-S460 WeakPolarHBondContact O-CB 3.31Å; F456-S460 PolarHBondContact O-N 2.9Å; S460-T464 VanDerWaalsContact O-CB 3.27Å; S460-T464 WeakPolarHBondContact O-CB 3.21Å; S460-T464 PolarHBondContact O-N 3.11Å; S460-T464 PolarHBondContact O-OG1 3.38Å
461	F	94.9	Very high	90.4	Very high	1 Å²	1	48 Å²	48	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-69.6	-52.1	172.5	165.2	-107	0	0	0	112	L375 K395 V398 L399 D457 I458 Q459 D463 T464 V465 I481	L375-F461 HydrophobicContact CD1-CE1 3.73Å; L375-F461 HydrophobicContact CD2-CE1 3.99Å; L375-F461 HydrophobicContact CD2-CZ 4.04Å; K395-F461 HydrophobicContact CB-CE2 3.83Å; K395-F461 WeakPolarHBondContact O-CE2 3.32Å; V398-F461 HydrophobicContact CB-CD2 4.35Å; L399-F461 HydrophobicContact CB-CB 4.21Å; L399-F461 HydrophobicContact CB-CD1 4.04Å; L399-F461 HydrophobicContact CB-CD2 3.71Å; L399-F461 HydrophobicContact CB-CE1 4.36Å; L399-F461 HydrophobicContact CB-CE2 4.05Å; L399-F461 HydrophobicContact CB-CG 3.7Å; L399-F461 HydrophobicContact CB-CZ 4.36Å; L399-F461 HydrophobicContact CD1-CB 3.98Å; L399-F461 HydrophobicContact CD1-CD1 4.27Å; L399-F461 HydrophobicContact CD1-CG 4.17Å; L399-F461 HydrophobicContact CD2-CD1 3.92Å; L399-F461 HydrophobicContact CD2-CE1 4.07Å; L399-F461 HydrophobicContact CD2-CG 4.41Å; L399-F461 HydrophobicContact CG-CD1 4.3Å; L399-F461 HydrophobicContact CG-CG 4.29Å; D457-F461 PolarHBondContact O-N 3.07Å; I458-F461 WeakPolarHBondContact O-CB 3.5Å; I458-F461 PolarHBondContact O-N 2.86Å; Q459-F461 PolarHBondContact O-N 3.37Å; F461-D463 VanDerWaalsContact C-N 3.35Å; F461-D463 PolarHBondContact O-N 3.21Å; F461-T464 CarbonylContact O-C 3.58Å; F461-T464 WeakPolarHBondContact O-CA 3.41Å; F461-T464 WeakPolarHBondContact O-CB 3.45Å; F461-T464 PolarHBondContact O-N 2.99Å; F461-V465 HydrophobicContact CD2-CG2 4.12Å; F461-V465 HydrophobicContact CE1-CG2 4.2Å; F461-V465 HydrophobicContact CE2-CG2 3.56Å; F461-V465 HydrophobicContact CZ-CG2 3.62Å; F461-V465 PolarHBondContact O-N 2.84Å; F461-I481 HydrophobicContact CE1-CD1 3.62Å; F461-I481 HydrophobicContact CZ-CD1 3.87Å
462	T	93.9	Very high	90.9	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-53.5	-49.2	178	-68.3	0	0	0	0	111.8	I458 Q459 T464 V465 Y466 I481 V740	I458-T462 PolarHBondContact O-N 2.94Å; I458-T462 PolarHBondContact O-OG1 2.95Å; Q459-T462 PolarHBondContact O-N 2.87Å; Q459-T462 VanDerWaalsContact O-N 3.15Å; T462-T464 PolarHBondContact O-N 3.25Å; T462-V465 PolarHBondContact O-N 3.07Å; T462-Y466 HydrophobicContact CG2-CD2 3.76Å; T462-Y466 HydrophobicContact CG2-CE2 3.53Å; T462-Y466 VanDerWaalsContact O-CD2 3.3Å; T462-Y466 WeakPolarHBondContact O-CD2 3.47Å; T462-Y466 PolarHBondContact O-N 2.78Å; T462-I481 HydrophobicContact CG2-CG2 4.23Å; T462-V740 HydrophobicContact CG2-CG1 4.5Å
463	D	93.3	Very high	91.1	Very high	65 Å²	65	53.9 Å²	53.9	35%	0.348	27%	0.269	S	S	.	.	H	α-helix	trans	-63.1	-30.4	177.9	-60.7	-12	0	0	0	111.8	Q459 F461 R467	Q459-D463 PolarHBondContact NE2-OD1 2.93Å; Q459-D463 WeakPolarHBondContact O-CB 3.35Å; Q459-D463 PolarHBondContact O-N 3.18Å; F461-D463 VanDerWaalsContact C-N 3.35Å; F461-D463 PolarHBondContact O-N 3.21Å; D463-R467 WeakPolarHBondContact O-CB 3.39Å; D463-R467 PolarHBondContact O-N 3.29Å; D463-R467 PolarHBondContact O-NH1 3.37Å
464	T	93.4	Very high	91.2	Very high	19 Å²	19	51.9 Å²	51.9	12%	0.117	26%	0.258	C	S	.	.	H	α-helix	trans	-76.8	-34.3	177.2	-63.5	0	0	0	0	112.7	S460 F461 T462 R467 Q468	S460-T464 VanDerWaalsContact O-CB 3.27Å; S460-T464 WeakPolarHBondContact O-CB 3.21Å; S460-T464 PolarHBondContact O-N 3.11Å; S460-T464 PolarHBondContact O-OG1 3.38Å; F461-T464 CarbonylContact O-C 3.58Å; F461-T464 WeakPolarHBondContact O-CA 3.41Å; F461-T464 WeakPolarHBondContact O-CB 3.45Å; F461-T464 PolarHBondContact O-N 2.99Å; T462-T464 PolarHBondContact O-N 3.25Å; T464-R467 PolarHBondContact OG1-NH1 2.82Å; T464-R467 PolarHBondContact OG1-NH2 2.87Å; T464-Q468 WeakPolarHBondContact O-CB 3.42Å; T464-Q468 WeakPolarHBondContact O-CG 3.46Å; T464-Q468 PolarHBondContact O-N 3.29Å; T464-Q468 VanDerWaalsContact O-N 3.11Å
465	V	93.9	Very high	91.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.6	-55.1	170.7	176.9	0	0	0	0	110.1	W388 V392 K395 F461 T462 R467 Q468 A469 I481	W388-V465 HydrophobicContact CH2-CG1 3.7Å; W388-V465 HydrophobicContact CZ2-CG1 4.26Å; W388-V465 HydrophobicContact CZ3-CG1 4.15Å; V392-V465 HydrophobicContact CG2-CG1 4.07Å; K395-V465 HydrophobicContact CB-CG2 4.03Å; K395-V465 HydrophobicContact CG-CG2 4.16Å; F461-V465 HydrophobicContact CD2-CG2 4.12Å; F461-V465 HydrophobicContact CE1-CG2 4.2Å; F461-V465 HydrophobicContact CE2-CG2 3.56Å; F461-V465 HydrophobicContact CZ-CG2 3.62Å; F461-V465 PolarHBondContact O-N 2.84Å; T462-V465 PolarHBondContact O-N 3.07Å; V465-R467 PolarHBondContact O-N 3.2Å; V465-Q468 PolarHBondContact O-N 3Å; V465-A469 WeakPolarHBondContact O-CB 3.23Å; V465-A469 PolarHBondContact O-N 2.92Å; V465-I481 HydrophobicContact CB-CD1 4.45Å; V465-I481 HydrophobicContact CG1-CD1 4.29Å; V465-I481 HydrophobicContact CG1-CG2 4.36Å; V465-I481 HydrophobicContact CG2-CD1 4.06Å
466	Y	94.6	Very high	91.2	Very high	48 Å²	48	56 Å²	56	19%	0.188	28%	0.275	C	S	.	.	H	α-helix	trans	-61	-42.7	-179.6	-72.7	-62.7	0	0	0	112.6	W388 T462 Q468 A469 N470 L475 K480 I481	W388-Y466 AromaticContact CH2-CD1 3.81Å; W388-Y466 HydrophobicContact CH2-CD1 3.81Å; W388-Y466 AromaticContact CH2-CE1 3.78Å; W388-Y466 HydrophobicContact CH2-CE1 3.78Å; W388-Y466 HydrophobicContact CZ2-CD1 4.48Å; W388-Y466 AromaticContact CZ2-CE1 3.99Å; W388-Y466 HydrophobicContact CZ2-CE1 3.99Å; T462-Y466 HydrophobicContact CG2-CD2 3.76Å; T462-Y466 HydrophobicContact CG2-CE2 3.53Å; T462-Y466 VanDerWaalsContact O-CD2 3.3Å; T462-Y466 WeakPolarHBondContact O-CD2 3.47Å; T462-Y466 PolarHBondContact O-N 2.78Å; Y466-Q468 VanDerWaalsContact C-N 3.34Å; Y466-Q468 PolarHBondContact O-N 3.28Å; Y466-A469 PolarHBondContact O-N 3.19Å; Y466-N470 WeakPolarHBondContact O-CB 3.38Å; Y466-N470 PolarHBondContact O-N 3.38Å; Y466-L475 HydrophobicContact CD1-CD1 3.8Å; Y466-L475 HydrophobicContact CD1-CD2 3.93Å; Y466-L475 HydrophobicContact CE1-CD1 4.07Å; Y466-K480 WeakPolarHBondContact OH-CA 3.29Å; Y466-I481 HydrophobicContact CD2-CG2 4.37Å; Y466-I481 HydrophobicContact CE1-CG2 4.42Å; Y466-I481 HydrophobicContact CE2-CG2 3.76Å; Y466-I481 PolarHBondContact OH-N 3.04Å; Y466-I481 VanDerWaalsContact OH-N 3.07Å
467	R	93.6	Very high	91	Very high	120 Å²	120	56.1 Å²	56.1	45%	0.453	28%	0.283	S	S	.	.	H	α-helix	trans	-60.1	-42.1	176	-178.1	171.9	69.1	-94.7	1.8	112	D463 T464 V465 N471	D463-R467 WeakPolarHBondContact O-CB 3.39Å; D463-R467 PolarHBondContact O-N 3.29Å; D463-R467 PolarHBondContact O-NH1 3.37Å; T464-R467 PolarHBondContact OG1-NH1 2.82Å; T464-R467 PolarHBondContact OG1-NH2 2.87Å; V465-R467 PolarHBondContact O-N 3.2Å; R467-N471 WeakPolarHBondContact O-CB 3.38Å; R467-N471 PolarHBondContact O-N 3.18Å; R467-N471 PolarHBondContact O-OD1 3.3Å; R467-N471 VanDerWaalsContact O-OD1 3.08Å
468	Q	89.6	Confident	90.7	Very high	71 Å²	71	56.3 Å²	56.3	33%	0.332	29%	0.288	S	S	.	.	H	α-helix	trans	-71.8	-36.7	177.8	-71.9	-173.7	7.9	0	0	112.3	T464 V465 Y466 N471 I472	T464-Q468 WeakPolarHBondContact O-CB 3.42Å; T464-Q468 WeakPolarHBondContact O-CG 3.46Å; T464-Q468 PolarHBondContact O-N 3.29Å; T464-Q468 VanDerWaalsContact O-N 3.11Å; V465-Q468 PolarHBondContact O-N 3Å; Y466-Q468 VanDerWaalsContact C-N 3.34Å; Y466-Q468 PolarHBondContact O-N 3.28Å; Q468-N471 PolarHBondContact O-N 2.87Å; Q468-I472 WeakPolarHBondContact O-CG1 3.2Å; Q468-I472 PolarHBondContact O-N 3.47Å
469	A	90.4	Very high	90.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62.2	-41.6	174.8	0	0	0	0	0	112.8	W388 L391 V465 Y466 I472 N473 M474 L475	W388-A469 HydrophobicContact CZ3-CB 3.74Å; L391-A469 HydrophobicContact CD2-CB 3.55Å; V465-A469 WeakPolarHBondContact O-CB 3.23Å; V465-A469 PolarHBondContact O-N 2.92Å; Y466-A469 PolarHBondContact O-N 3.19Å; A469-I472 WeakPolarHBondContact O-CG1 3.37Å; A469-I472 PolarHBondContact O-N 2.96Å; A469-N473 PolarHBondContact O-N 3.35Å; A469-M474 PolarHBondContact O-N 3.22Å; A469-L475 HydrophobicContact CB-CB 3.89Å; A469-L475 HydrophobicContact CB-CD1 4.16Å; A469-L475 PolarHBondContact O-N 3.17Å
470	N	91.7	Very high	90.8	Very high	81 Å²	81	59.4 Å²	59.4	43%	0.433	30%	0.302	S	S	.	.	H	α-helix	trans	-64.1	-45.6	173.3	-73.9	-15.5	0	0	0	111.7	Y466 I472 N473 L475	Y466-N470 WeakPolarHBondContact O-CB 3.38Å; Y466-N470 PolarHBondContact O-N 3.38Å; N470-I472 PolarHBondContact O-N 3.46Å; N470-I472 VanDerWaalsContact O-N 3.12Å; N470-N473 PolarHBondContact O-N 3.16Å; N470-L475 WeakPolarHBondContact OD1-CB 3.4Å; N470-L475 WeakPolarHBondContact OD1-CD2 3.48Å
471	N	89.3	Confident	90.9	Very high	125 Å²	125	57.6 Å²	57.6	67%	0.668	29%	0.289	S	S	*	.	H	α-helix	trans	-62.1	-20.6	-179.3	-73.6	10.6	0	0	0	114	R467 Q468	R467-N471 WeakPolarHBondContact O-CB 3.38Å; R467-N471 PolarHBondContact O-N 3.18Å; R467-N471 PolarHBondContact O-OD1 3.3Å; R467-N471 VanDerWaalsContact O-OD1 3.08Å; Q468-N471 PolarHBondContact O-N 2.87Å
472	I	86.4	Confident	90.7	Very high	99 Å²	99	61.4 Å²	61.4	51%	0.508	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	10.1	175.2	67.1	174.7	0	0	0	113	L391 Q468 A469 N470 M474	L391-I472 HydrophobicContact CD1-CD1 4.16Å; Q468-I472 WeakPolarHBondContact O-CG1 3.2Å; Q468-I472 PolarHBondContact O-N 3.47Å; A469-I472 WeakPolarHBondContact O-CG1 3.37Å; A469-I472 PolarHBondContact O-N 2.96Å; N470-I472 PolarHBondContact O-N 3.46Å; N470-I472 VanDerWaalsContact O-N 3.12Å; I472-M474 HydrophobicContact CD1-CB 3.82Å; I472-M474 HydrophobicContact CD1-CG 4.46Å; I472-M474 HydrophobicContact CD1-SD 4Å; I472-M474 HydrophobicContact CG1-CB 3.66Å; I472-M474 PolarHBondContact O-N 3.24Å; I472-M474 VanDerWaalsContact O-N 3.14Å
473	N	87.1	Confident	90.6	Very high	152 Å²	152	61.4 Å²	61.4	81%	0.813	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	26	-177.7	-54.1	-64.2	0	0	0	115.1	A469 N470	A469-N473 PolarHBondContact O-N 3.35Å; N470-N473 PolarHBondContact O-N 3.16Å
474	M	87.7	Confident	90.5	Very high	28 Å²	28	60.3 Å²	60.3	14%	0.138	30%	0.303	C	S	.	.			trans	-95.8	-15.4	-177.2	-166.4	-152.6	89.2	0	0	112.5	E387 W388 L391 A469 I472 K476 M479	E387-M474 HydrophobicContact CB-CE 4.25Å; E387-M474 HydrophobicContact CB-CG 4.24Å; E387-M474 HydrophobicContact CB-SD 3.98Å; W388-M474 HydrophobicContact CE3-CE 3.76Å; W388-M474 HydrophobicContact CZ3-CE 4.45Å; L391-M474 HydrophobicContact CB-CE 3.79Å; L391-M474 HydrophobicContact CB-SD 4.14Å; L391-M474 HydrophobicContact CD2-CE 3.59Å; L391-M474 HydrophobicContact CD2-SD 4.21Å; L391-M474 HydrophobicContact CG-CE 4.3Å; A469-M474 PolarHBondContact O-N 3.22Å; I472-M474 HydrophobicContact CD1-CB 3.82Å; I472-M474 HydrophobicContact CD1-CG 4.46Å; I472-M474 HydrophobicContact CD1-SD 4Å; I472-M474 HydrophobicContact CG1-CB 3.66Å; I472-M474 PolarHBondContact O-N 3.24Å; I472-M474 VanDerWaalsContact O-N 3.14Å; M474-K476 PolarHBondContact O-N 3.42Å; M474-M479 HydrophobicContact CE-CE 4.26Å; M474-M479 HydrophobicContact CE-SD 4.26Å; M474-M479 VanDerWaalsContact O-CE 3.23Å; M474-M479 WeakPolarHBondContact O-CE 3.5Å
475	L	89.1	Confident	90.4	Very high	41 Å²	41	61.3 Å²	61.3	22%	0.215	31%	0.306	C	S	.	.			trans	-70	114.6	177.1	-167.2	70.6	0	0	0	110.5	W388 Y466 A469 N470 M479	W388-L475 HydrophobicContact CE3-CD1 4.31Å; W388-L475 HydrophobicContact CH2-CD1 3.74Å; W388-L475 HydrophobicContact CZ3-CD1 3.56Å; Y466-L475 HydrophobicContact CD1-CD1 3.8Å; Y466-L475 HydrophobicContact CD1-CD2 3.93Å; Y466-L475 HydrophobicContact CE1-CD1 4.07Å; A469-L475 HydrophobicContact CB-CB 3.89Å; A469-L475 HydrophobicContact CB-CD1 4.16Å; A469-L475 PolarHBondContact O-N 3.17Å; N470-L475 WeakPolarHBondContact OD1-CB 3.4Å; N470-L475 WeakPolarHBondContact OD1-CD2 3.48Å; L475-M479 HydrophobicContact CD1-CB 3.8Å; L475-M479 HydrophobicContact CD1-SD 4.11Å
476	K	89.1	Confident	90.3	Very high	77 Å²	77	61.3 Å²	61.3	34%	0.335	31%	0.306	S	S	.	.			trans	-113.5	156.8	177.5	-61.8	165.1	-176.7	163.5	0	110	N384 E387 M474 M479	N384-K476 HydrophobicContact CB-CD 4.4Å; N384-K476 VanDerWaalsContact CG-CD 3.42Å; N384-K476 WeakPolarHBondContact OD1-CD 3.44Å; N384-K476 PolarHBondContact OD1-NZ 3.34Å; E387-K476 IonicContact OE1-NZ 3.38Å; E387-K476 PolarHBondContact OE1-NZ 2.86Å; E387-K476 VanDerWaalsContact OE1-NZ 3.11Å; E387-K476 WeakPolarHBondContact OE2-CE 3.49Å; E387-K476 IonicContact OE2-NZ 3.69Å; E387-K476 PolarHBondContact OE2-NZ 2.91Å; M474-K476 PolarHBondContact O-N 3.42Å; K476-M479 HydrophobicContact CB-CE 4.06Å; K476-M479 HydrophobicContact CB-SD 4.3Å; K476-M479 HydrophobicContact CD-CE 3.95Å; K476-M479 HydrophobicContact CG-CE 4.17Å; K476-M479 PolarHBondContact N-SD 3.16Å; K476-M479 VanDerWaalsContact N-SD 3.37Å; K476-M479 VanDerWaalsContact O-CB 3.3Å; K476-M479 WeakPolarHBondContact O-CB 3.46Å; K476-M479 WeakPolarHBondContact O-CG 3.06Å; K476-M479 PolarHBondContact O-N 3.17Å; K476-M479 VanDerWaalsContact O-N 3.16Å
477	D	85.1	Confident	90.1	Very high	161 Å²	161	64.1 Å²	64.1	86%	0.861	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	141.9	177.1	-82.8	-36.1	0	0	0	112	M479	D477-M479 VanDerWaalsContact C-N 3.31Å; D477-M479 PolarHBondContact O-N 2.99Å
478	G	85.7	Confident	90.1	Very high	20 Å²	20	62.3 Å²	62.3	21%	0.206	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	-21.4	-173.9	0	0	0	0	0	115	K480	G478-K480 PolarHBondContact O-N 3.19Å
479	M	92.3	Very high	90.1	Very high	10 Å²	10	68 Å²	68	5%	0.049	34%	0.338	C	S	.	.			trans	-64.2	119.8	174.8	-71.1	-175.7	177.3	0	0	111.4	S378 A379 N384 W388 M474 L475 K476 D477	S378-M479 CarbonylContact O-C 3.58Å; S378-M479 WeakPolarHBondContact O-CA 3.42Å; A379-M479 HydrophobicContact CB-CG 4.11Å; N384-M479 HydrophobicContact CB-CE 3.85Å; N384-M479 WeakPolarHBondContact O-CE 3.43Å; W388-M479 HydrophobicContact CB-CE 4.13Å; W388-M479 HydrophobicContact CB-CG 4.19Å; W388-M479 HydrophobicContact CB-SD 4.11Å; W388-M479 HydrophobicContact CD2-CB 3.91Å; W388-M479 HydrophobicContact CD2-CG 4.1Å; W388-M479 HydrophobicContact CD2-SD 3.99Å; W388-M479 HydrophobicContact CE3-CB 4.14Å; W388-M479 HydrophobicContact CE3-CG 4.26Å; W388-M479 HydrophobicContact CE3-SD 3.59Å; W388-M479 VanDerWaalsContact CE3-SD 3.59Å; W388-M479 HydrophobicContact CG-CB 4.23Å; W388-M479 HydrophobicContact CG-CG 4.07Å; W388-M479 HydrophobicContact CG-SD 4.23Å; W388-M479 HydrophobicContact CZ2-CB 4.43Å; W388-M479 HydrophobicContact CZ3-CB 4.5Å; W388-M479 HydrophobicContact CZ3-SD 4.29Å; M474-M479 HydrophobicContact CE-CE 4.26Å; M474-M479 HydrophobicContact CE-SD 4.26Å; M474-M479 VanDerWaalsContact O-CE 3.23Å; M474-M479 WeakPolarHBondContact O-CE 3.5Å; L475-M479 HydrophobicContact CD1-CB 3.8Å; L475-M479 HydrophobicContact CD1-SD 4.11Å; K476-M479 HydrophobicContact CB-CE 4.06Å; K476-M479 HydrophobicContact CB-SD 4.3Å; K476-M479 HydrophobicContact CD-CE 3.95Å; K476-M479 HydrophobicContact CG-CE 4.17Å; K476-M479 PolarHBondContact N-SD 3.16Å; K476-M479 VanDerWaalsContact N-SD 3.37Å; K476-M479 VanDerWaalsContact O-CB 3.3Å; K476-M479 WeakPolarHBondContact O-CB 3.46Å; K476-M479 WeakPolarHBondContact O-CG 3.06Å; K476-M479 PolarHBondContact O-N 3.17Å; K476-M479 VanDerWaalsContact O-N 3.16Å; D477-M479 VanDerWaalsContact C-N 3.31Å; D477-M479 PolarHBondContact O-N 2.99Å
480	K	92.9	Very high	90.1	Very high	89 Å²	89	71.2 Å²	71.2	39%	0.387	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	146.4	-179	-63.7	167.3	-165.5	158.2	0	111.7	A377 S378 W388 Y466 G478	A377-K480 WeakPolarHBondContact CA-O 3.42Å; S378-K480 PolarHBondContact N-O 3.47Å; S378-K480 PolarHBondContact O-N 2.95Å; W388-K480 PolarHBondContact NE1-O 3.01Å; Y466-K480 WeakPolarHBondContact OH-CA 3.29Å; G478-K480 PolarHBondContact O-N 3.19Å
481	I	94	Very high	90.1	Very high	2 Å²	2	67.4 Å²	67.4	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	128.9	168.5	-171.3	-179.6	0	0	0	110.3	L375 T376 W388 V392 F461 T462 V465 Y466	L375-I481 HydrophobicContact CD1-CD1 3.9Å; L375-I481 HydrophobicContact CD1-CG1 3.86Å; L375-I481 HydrophobicContact CD2-CD1 4.36Å; L375-I481 HydrophobicContact CG-CD1 4.39Å; L375-I481 HydrophobicContact CG-CG1 4.43Å; T376-I481 WeakPolarHBondContact O-CA 3.34Å; W388-I481 HydrophobicContact CH2-CG2 4.47Å; W388-I481 HydrophobicContact CZ2-CB 3.84Å; W388-I481 HydrophobicContact CZ2-CG2 3.91Å; V392-I481 HydrophobicContact CB-CD1 4.46Å; V392-I481 HydrophobicContact CG1-CD1 3.69Å; V392-I481 HydrophobicContact CG1-CG1 4.49Å; V392-I481 HydrophobicContact CG2-CD1 3.92Å; F461-I481 HydrophobicContact CE1-CD1 3.62Å; F461-I481 HydrophobicContact CZ-CD1 3.87Å; T462-I481 HydrophobicContact CG2-CG2 4.23Å; V465-I481 HydrophobicContact CB-CD1 4.45Å; V465-I481 HydrophobicContact CG1-CD1 4.29Å; V465-I481 HydrophobicContact CG1-CG2 4.36Å; V465-I481 HydrophobicContact CG2-CD1 4.06Å; Y466-I481 HydrophobicContact CD2-CG2 4.37Å; Y466-I481 HydrophobicContact CE1-CG2 4.42Å; Y466-I481 HydrophobicContact CE2-CG2 3.76Å; Y466-I481 PolarHBondContact OH-N 3.04Å; Y466-I481 VanDerWaalsContact OH-N 3.07Å
482	E	91.7	Very high	90	Very high	80 Å²	80	66.5 Å²	66.5	37%	0.374	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144.4	-179.4	-66.5	-176.4	-178.4	0	0	110.1	T376	T376-E482 PolarHBondContact N-O 2.95Å; T376-E482 PolarHBondContact O-N 3.21Å
483	A	92.3	Very high	90	Very high	2 Å²	2	67.3 Å²	67.3	2%	0.017	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.4	176.4	0	0	0	0	0	109.2	I373 V374 L375 I458 I745	I373-A483 HydrophobicContact CG2-CB 4.18Å; V374-A483 WeakPolarHBondContact O-CA 3.49Å; L375-A483 HydrophobicContact CD1-CB 3.86Å; I458-A483 HydrophobicContact CG2-CB 3.6Å; A483-I745 WeakPolarHBondContact O-CD1 3.32Å
484	T	91	Very high	90	Very high	42 Å²	42	63.2 Å²	63.2	26%	0.258	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	141.4	-176.9	60.2	0	0	0	0	110.7	I373 V374	I373-T484 CarbonylContact C-O 3.51Å; I373-T484 WeakPolarHBondContact CA-O 3.43Å; V374-T484 PolarHBondContact N-O 2.93Å; V374-T484 PolarHBondContact O-N 3.11Å
485	H	91.7	Very high	89.9	Confident	39 Å²	39	62.3 Å²	62.3	18%	0.181	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	133.1	172.9	166.7	-83.3	0	0	0	111	H371 K487 I745 L747	H371-H485 AromaticContact CE1-NE2 3.96Å; H371-H485 AromaticContact ND1-NE2 3.32Å; H371-H485 PolarHBondContact ND1-NE2 3.37Å; H485-K487 WeakPolarHBondContact NE2-CE 3.29Å; H485-K487 WeakPolarHBondContact NE2-CG 3.43Å; H485-I745 HydrophobicContact CB-CD1 4.4Å; H485-I745 HydrophobicContact CB-CG1 4.48Å; H485-I745 HydrophobicContact CB-CG2 3.64Å; H485-L747 HydrophobicContact CB-CD2 3.99Å; H485-L747 VanDerWaalsContact CG-CD2 3.41Å; H485-L747 WeakPolarHBondContact ND1-CD2 3.45Å
486	V	91.2	Very high	89.7	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	139	175.9	-58	0	0	0	0	111.5	Y372 V374 Q490 L491 Y494	Y372-V486 PolarHBondContact N-O 3.39Å; Y372-V486 PolarHBondContact O-N 2.78Å; V374-V486 HydrophobicContact CG2-CB 4.42Å; V374-V486 HydrophobicContact CG2-CG1 3.87Å; V374-V486 HydrophobicContact CG2-CG2 3.62Å; V486-Q490 HydrophobicContact CB-CB 4.44Å; V486-L491 HydrophobicContact CG2-CD2 3.67Å; V486-L491 HydrophobicContact CG2-CG 4.46Å; V486-Y494 HydrophobicContact CG1-CD2 4.36Å; V486-Y494 HydrophobicContact CG1-CE2 3.58Å
487	K	91.1	Very high	89.2	Confident	107 Å²	107	63.9 Å²	63.9	47%	0.465	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	150.1	168.3	-59.4	173.3	-178.1	173.4	0	108.4	H485 K489 Q490	H485-K487 WeakPolarHBondContact NE2-CE 3.29Å; H485-K487 WeakPolarHBondContact NE2-CG 3.43Å; K487-K489 PolarHBondContact O-N 2.84Å; K487-Q490 WeakPolarHBondContact O-CB 3.4Å; K487-Q490 PolarHBondContact O-N 3.47Å
488	K	92.6	Very high	89	Confident	82 Å²	82	62.4 Å²	62.4	36%	0.357	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-44.2	-38.7	178.8	176.7	175.6	169.7	173.7	0	114	Q367 Y369 K370 Y372 Q490 L491	Q367-K488 PolarHBondContact O-NZ 2.93Å; Y369-K488 WeakPolarHBondContact O-CD 3.36Å; K370-K488 PolarHBondContact O-N 2.98Å; Y372-K488 HydrophobicContact CE2-CB 4.07Å; K488-Q490 PolarHBondContact O-N 3.34Å; K488-L491 PolarHBondContact O-N 3.24Å
489	K	90.5	Very high	88.6	Confident	189 Å²	189	65.2 Å²	65.2	82%	0.822	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-62.4	-24.7	179.1	-68.3	-171.2	176.5	-174.4	0	113.9	K487 H492	K487-K489 PolarHBondContact O-N 2.84Å; K489-H492 PolarHBondContact O-CE1 3.38Å; K489-H492 VanDerWaalsContact O-CE1 3.25Å; K489-H492 PolarHBondContact O-ND1 3.05Å
490	Q	90.3	Very high	87.8	Confident	69 Å²	69	65.6 Å²	65.6	32%	0.322	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-92.7	-10.3	-175.7	-63.5	166.4	-87.1	0	0	113.5	V486 K487 K488 H492 Q493	V486-Q490 HydrophobicContact CB-CB 4.44Å; K487-Q490 WeakPolarHBondContact O-CB 3.4Å; K487-Q490 PolarHBondContact O-N 3.47Å; K488-Q490 PolarHBondContact O-N 3.34Å; Q490-H492 PolarHBondContact O-N 2.94Å; Q490-Q493 WeakPolarHBondContact O-CB 3.37Å; Q490-Q493 WeakPolarHBondContact O-CG 3.46Å; Q490-Q493 PolarHBondContact O-N 3.05Å
491	L	90.2	Very high	86.3	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-57.9	-23.4	-177.3	-74	176.3	0	0	0	114.4	F366 Y372 F436 V486 K488 Q493 Y494 L495 V500	F366-L491 HydrophobicContact CB-CD1 3.94Å; F366-L491 HydrophobicContact CD1-CD1 4.08Å; F366-L491 HydrophobicContact CG-CD1 4.45Å; Y372-L491 HydrophobicContact CD2-CD1 3.8Å; Y372-L491 HydrophobicContact CD2-CD2 4.2Å; Y372-L491 HydrophobicContact CD2-CG 4.21Å; Y372-L491 HydrophobicContact CE1-CD1 4.39Å; Y372-L491 HydrophobicContact CE2-CD1 3.56Å; Y372-L491 HydrophobicContact CE2-CG 4.4Å; Y372-L491 HydrophobicContact CG-CD1 4.37Å; Y372-L491 HydrophobicContact CG-CD2 4.31Å; F436-L491 HydrophobicContact CD1-CD2 3.89Å; F436-L491 HydrophobicContact CE1-CD2 3.84Å; V486-L491 HydrophobicContact CG2-CD2 3.67Å; V486-L491 HydrophobicContact CG2-CG 4.46Å; K488-L491 PolarHBondContact O-N 3.24Å; L491-Q493 PolarHBondContact O-N 3.15Å; L491-Q493 VanDerWaalsContact O-N 3.12Å; L491-Y494 PolarHBondContact O-N 3.1Å; L491-L495 HydrophobicContact CD2-CD1 4.48Å; L491-L495 PolarHBondContact O-N 3.07Å; L491-L495 VanDerWaalsContact O-N 3.1Å; L491-V500 HydrophobicContact CB-CG1 4.39Å; L491-V500 HydrophobicContact CB-CG2 4.22Å
492	H	87.9	Confident	84.4	Confident	107 Å²	107	74.4 Å²	74.4	50%	0.495	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-62.7	-12.4	174.7	72.5	-93.3	0	0	0	114.1	K489 Q490	K489-H492 PolarHBondContact O-CE1 3.38Å; K489-H492 VanDerWaalsContact O-CE1 3.25Å; K489-H492 PolarHBondContact O-ND1 3.05Å; Q490-H492 PolarHBondContact O-N 2.94Å
493	Q	87.4	Confident	82	Confident	115 Å²	115	80 Å²	80	54%	0.537	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-85.1	-13.8	175.9	-59.8	174	-31.8	0	0	112.4	Q490 L491	Q490-Q493 WeakPolarHBondContact O-CB 3.37Å; Q490-Q493 WeakPolarHBondContact O-CG 3.46Å; Q490-Q493 PolarHBondContact O-N 3.05Å; L491-Q493 PolarHBondContact O-N 3.15Å; L491-Q493 VanDerWaalsContact O-N 3.12Å
494	Y	86.3	Confident	79.4	Confident	67 Å²	67	90 Å²	90	26%	0.263	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-17.3	-174.6	-63.9	-101.6	0	0	0	113.1	V374 M434 V486 L491	V374-Y494 HydrophobicContact CB-CD1 4.47Å; V374-Y494 HydrophobicContact CB-CE1 4.32Å; V374-Y494 HydrophobicContact CG1-CD1 3.98Å; V374-Y494 HydrophobicContact CG1-CE1 4.19Å; V374-Y494 HydrophobicContact CG2-CD1 4.19Å; V374-Y494 HydrophobicContact CG2-CE1 4.17Å; V374-Y494 HydrophobicContact CG2-CG 4.46Å; M434-Y494 WeakPolarHBondContact CE-O 3.01Å; M434-Y494 HydrophobicContact SD-CD1 4Å; V486-Y494 HydrophobicContact CG1-CD2 4.36Å; V486-Y494 HydrophobicContact CG1-CE2 3.58Å; L491-Y494 PolarHBondContact O-N 3.1Å
495	L	86.8	Confident	76.9	Confident	8 Å²	8	98.4 Å²	98.4	4%	0.042	45%	0.45	C	S	.	.	S	Bend	trans	-138.7	139.6	-169.7	-69.2	168.7	0	0	0	111.1	F366 F419 F436 L491 L499 V500	F366-L495 HydrophobicContact CD1-CD1 3.49Å; F366-L495 VanDerWaalsContact CD1-CD1 3.49Å; F366-L495 HydrophobicContact CD2-CD1 4.14Å; F366-L495 HydrophobicContact CE1-CD1 3.3Å; F366-L495 HydrophobicContact CE2-CD1 3.97Å; F366-L495 HydrophobicContact CG-CD1 3.92Å; F366-L495 HydrophobicContact CZ-CD1 3.55Å; F366-L495 HydrophobicContact CZ-CD2 4.33Å; F419-L495 HydrophobicContact CB-CD2 4.29Å; F419-L495 HydrophobicContact CD1-CD2 3.87Å; F419-L495 HydrophobicContact CD2-CD2 4.41Å; F419-L495 HydrophobicContact CE1-CD2 4.36Å; F419-L495 HydrophobicContact CG-CD2 3.91Å; F436-L495 HydrophobicContact CD1-CD1 4.31Å; F436-L495 HydrophobicContact CE1-CD1 3.81Å; F436-L495 HydrophobicContact CE1-CG 4.1Å; F436-L495 HydrophobicContact CE2-CD1 4.19Å; F436-L495 HydrophobicContact CE2-CD2 3.75Å; F436-L495 HydrophobicContact CE2-CG 4.13Å; F436-L495 HydrophobicContact CZ-CD1 3.75Å; F436-L495 HydrophobicContact CZ-CD2 3.73Å; F436-L495 HydrophobicContact CZ-CG 3.62Å; L491-L495 HydrophobicContact CD2-CD1 4.48Å; L491-L495 PolarHBondContact O-N 3.07Å; L491-L495 VanDerWaalsContact O-N 3.1Å; L495-L499 HydrophobicContact CD2-CD1 4.18Å; L495-V500 HydrophobicContact CB-CG2 3.76Å; L495-V500 HydrophobicContact CD1-CG2 4.48Å
496	P	83.8	Confident	74.2	Confident	71 Å²	71	100.1 Å²	100.1	46%	0.461	47%	0.467	S	S	.	.			trans	-51.6	145.5	174.9	-29.3	35	0	0	0	113.7	E498 L499 V500	P496-E498 VanDerWaalsContact CB-OE2 3.24Å; P496-E498 WeakPolarHBondContact CB-OE2 3.42Å; P496-E498 PolarHBondContact O-N 3.44Å; P496-L499 PolarHBondContact O-N 3.05Å; P496-V500 PolarHBondContact O-N 2.97Å
497	P	78.1	Confident	72.1	Confident	80 Å²	80	107.1 Å²	107.1	52%	0.519	50%	0.502	S	S	.	.	H	α-helix	trans	-52.8	-30	-178.5	-28.2	36.2	0	0	0	114.5	L499 V500 Q501	P497-L499 VanDerWaalsContact C-N 3.31Å; P497-L499 PolarHBondContact O-N 3.47Å; P497-V500 PolarHBondContact O-N 3.36Å; P497-Q501 WeakPolarHBondContact O-CA 3.3Å; P497-Q501 WeakPolarHBondContact O-CB 3.38Å; P497-Q501 PolarHBondContact O-N 3.45Å
498	E	80.5	Confident	69.5	Low	130 Å²	130	105.2 Å²	105.2	61%	0.607	51%	0.507	S	S	*	.	H	α-helix	trans	-64.7	-32.8	-179.5	-61.7	65.7	-142.3	0	0	112.6	P496	P496-E498 VanDerWaalsContact CB-OE2 3.24Å; P496-E498 WeakPolarHBondContact CB-OE2 3.42Å; P496-E498 PolarHBondContact O-N 3.44Å
499	L	78.6	Confident	66.8	Low	79 Å²	79	106.7 Å²	106.7	41%	0.414	52%	0.515	S	S	.	.	H	α-helix	trans	-83.4	-31.5	179	-60.8	-176.9	0	0	0	112.1	F366 F419 L495 P496 P497	F366-L499 HydrophobicContact CD2-CB 4.27Å; F366-L499 HydrophobicContact CE2-CB 4.31Å; F419-L499 HydrophobicContact CD1-CD1 4.14Å; F419-L499 HydrophobicContact CE1-CD1 3.75Å; L495-L499 HydrophobicContact CD2-CD1 4.18Å; P496-L499 PolarHBondContact O-N 3.05Å; P497-L499 VanDerWaalsContact C-N 3.31Å; P497-L499 PolarHBondContact O-N 3.47Å
500	V	75.3	Confident	64.4	Low	18 Å²	18	104.6 Å²	104.6	11%	0.109	51%	0.512	C	S	.	.	H	α-helix	trans	-88	-35.7	-178.7	-174.2	0	0	0	0	111.7	Q367 L491 L495 P496 P497	Q367-V500 PolarHBondContact NE2-O 2.93Å; L491-V500 HydrophobicContact CB-CG1 4.39Å; L491-V500 HydrophobicContact CB-CG2 4.22Å; L495-V500 HydrophobicContact CB-CG2 3.76Å; L495-V500 HydrophobicContact CD1-CG2 4.48Å; P496-V500 PolarHBondContact O-N 2.97Å; P497-V500 PolarHBondContact O-N 3.36Å
501	Q	61.4	Low	61.9	Low	136 Å²	136	107.4 Å²	107.4	64%	0.636	53%	0.529	S	S	*	.			trans	-131.7	71.7	-170.2	-58	-170	39.3	0	0	113.4	P497 K503	P497-Q501 WeakPolarHBondContact O-CA 3.3Å; P497-Q501 WeakPolarHBondContact O-CB 3.38Å; P497-Q501 PolarHBondContact O-N 3.45Å; Q501-K503 PolarHBondContact O-N 3.31Å
502	K	53	Low	59.3	Low	141 Å²	141	118.2 Å²	118.2	61%	0.613	57%	0.57	S	S	*	*			trans	-65.2	100.3	160.7	-82	-169.3	174.9	179	0	110.9
503	K	41.8	Very low	56.8	Low	196 Å²	196	118.3 Å²	118.3	85%	0.852	58%	0.583	S	S	*	*			trans	-53.8	142.5	149.6	-82.3	-177.4	175.2	177	0	108	Q501 R505	Q501-K503 PolarHBondContact O-N 3.31Å; K503-R505 VanDerWaalsContact C-N 3.32Å; K503-R505 PolarHBondContact O-N 3.04Å
504	K	38.8	Very low	54.5	Low	214 Å²	214	117.5 Å²	117.5	93%	0.93	59%	0.59	S	S	*	*			trans	-65.4	89.9	168	-77.6	-175.7	172.7	-177.3	0	109.3	S506	K504-S506 PolarHBondContact O-N 3.23Å
505	R	37.8	Very low	52	Low	217 Å²	217	122.3 Å²	122.3	82%	0.819	62%	0.62	S	S	*	*			trans	-64.6	122.2	156.9	-79.8	-166.9	174.6	154.8	2.4	107.2	K503 E509	K503-R505 VanDerWaalsContact C-N 3.32Å; K503-R505 PolarHBondContact O-N 3.04Å; R505-E509 WeakPolarHBondContact CD-OE2 3.19Å; R505-E509 WeakPolarHBondContact CG-OE2 2.88Å; R505-E509 IonicContact NE-OE2 3.87Å
506	S	35.7	Very low	49.3	Very low	76 Å²	76	125.8 Å²	125.8	53%	0.531	66%	0.658	S	S	.	*			trans	-78.8	153.2	176.5	81.5	0	0	0	0	109.9	K504 A508 E509	K504-S506 PolarHBondContact O-N 3.23Å; S506-A508 PolarHBondContact O-N 3.32Å; S506-E509 PolarHBondContact O-N 3.42Å
507	I	45.5	Very low	46.7	Very low	147 Å²	147	126.3 Å²	126.3	75%	0.754	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-62.8	-13.9	-178.2	-69.8	169.7	0	0	0	112.5	E509 L510	I507-E509 VanDerWaalsContact C-N 3.25Å; I507-E509 PolarHBondContact O-N 3.2Å; I507-L510 PolarHBondContact O-N 3.28Å
508	A	36.4	Very low	44.5	Very low	67 Å²	67	128.4 Å²	128.4	55%	0.554	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-62.2	-23.3	177.4	0	0	0	0	0	114.9	S506	S506-A508 PolarHBondContact O-N 3.32Å
509	E	37.8	Very low	42.3	Very low	113 Å²	113	128 Å²	128	53%	0.528	70%	0.704	S	S	.	*	G	3₁₀ helix	trans	-75.6	-25.8	-177.6	-69.9	-175.1	132.5	0	0	113.8	R505 S506 I507	R505-E509 WeakPolarHBondContact CD-OE2 3.19Å; R505-E509 WeakPolarHBondContact CG-OE2 2.88Å; R505-E509 IonicContact NE-OE2 3.87Å; S506-E509 PolarHBondContact O-N 3.42Å; I507-E509 VanDerWaalsContact C-N 3.25Å; I507-E509 PolarHBondContact O-N 3.2Å
510	L	39.2	Very low	39.9	Very low	146 Å²	146	133.8 Å²	133.8	76%	0.764	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-72.6	-29.4	176.1	-96.4	72.7	0	0	0	112.7	I507 R512	I507-L510 PolarHBondContact O-N 3.28Å; L510-R512 VanDerWaalsContact C-N 3.31Å; L510-R512 PolarHBondContact O-N 3.08Å
511	N	37.6	Very low	38	Very low	128 Å²	128	145.2 Å²	145.2	68%	0.684	77%	0.767	S	S	*	*	G	3₁₀ helix	trans	-88.4	6.5	-173.7	-69.4	-0.3	0	0	0	113.7
512	R	36.6	Very low	36.3	Very low	226 Å²	226	145.3 Å²	145.3	85%	0.853	77%	0.771	S	S	*	*	G	3₁₀ helix	trans	-105.4	-1.9	-179.2	-124.5	-178	-171.7	-141.5	0.3	114.5	L510	L510-R512 VanDerWaalsContact C-N 3.31Å; L510-R512 PolarHBondContact O-N 3.08Å
513	S	33.7	Very low	35.1	Very low	109 Å²	109	144.6 Å²	144.6	76%	0.762	78%	0.784	S	S	*	*	S	Bend	trans	-91.7	8.3	-174.4	-52.2	0	0	0	0	114.7
514	S	39.2	Very low	34.4	Very low	98 Å²	98	142.8 Å²	142.8	69%	0.685	78%	0.782	S	S	*	*	S	Bend	trans	-112.8	28.3	-167.1	53.4	0	0	0	0	114.8
515	N	33.9	Very low	33.7	Very low	168 Å²	168	139.5 Å²	139.5	90%	0.898	78%	0.775	S	S	*	*	S	Bend	trans	-156	133	168.8	-118.8	-15.9	0	0	0	113
516	G	30.4	Very low	33.2	Very low	82 Å²	82	133.5 Å²	133.5	85%	0.845	77%	0.766	S	S	*	*			trans	87	118.4	176.5	0	0	0	0	0	114.3
517	G	30.3	Very low	32.8	Very low	82 Å²	82	135.3 Å²	135.3	85%	0.845	78%	0.779	S	S	*	*			trans	-130.7	144.4	-179.2	0	0	0	0	0	113.6
518	S	30.6	Very low	32	Very low	124 Å²	124	136.2 Å²	136.2	87%	0.867	78%	0.78	S	S	*	*			trans	-158.7	150.1	154.1	61.3	0	0	0	0	109.5
519	S	34.2	Very low	31.6	Very low	120 Å²	120	141 Å²	141	84%	0.839	80%	0.795	S	S	*	*			trans	-87.1	131	-162.5	-57.8	0	0	0	0	114.4
520	K	29.3	Very low	31	Very low	201 Å²	201	139.8 Å²	139.8	87%	0.874	79%	0.792	S	S	*	*			trans	-127.7	121.1	146.1	-78.9	-171.4	174.4	-178.1	0	108.9	I522	K520-I522 PolarHBondContact O-N 3.06Å
521	R	34.4	Very low	30.4	Very low	258 Å²	258	137.6 Å²	137.6	97%	0.974	79%	0.789	S	S	*	*			trans	-69	116.3	173.8	-77.8	-178.3	173.6	169.9	-2.8	109
522	I	26.6	Very low	29.9	Very low	139 Å²	139	135.5 Å²	135.5	71%	0.713	78%	0.784	S	S	*	*			trans	-114.9	123.1	158.2	-60.2	177.4	0	0	0	105	K520 L524	K520-I522 PolarHBondContact O-N 3.06Å; I522-L524 PolarHBondContact O-N 3.41Å
523	S	27.8	Very low	29.7	Very low	126 Å²	126	129.3 Å²	129.3	88%	0.881	76%	0.761	S	S	*	*			trans	-74.6	99.1	179.4	-164.8	0	0	0	0	109
524	L	26.2	Very low	29.5	Very low	158 Å²	158	128.3 Å²	128.3	83%	0.827	75%	0.747	S	S	*	*			trans	-91.8	104.2	171.1	-78.8	166.9	0	0	0	108.4	I522	I522-L524 PolarHBondContact O-N 3.41Å
525	D	24	Very low	28.9	Very low	144 Å²	144	125.2 Å²	125.2	77%	0.77	72%	0.724	S	S	*	*			trans	-67.2	149.1	169.9	-166	5.9	0	0	0	110.7	S527	D525-S527 PolarHBondContact O-N 2.98Å
526	S	27	Very low	28.6	Very low	91 Å²	91	120.4 Å²	120.4	64%	0.636	70%	0.699	S	S	*	*			trans	-74.9	108.8	-167.5	43.8	0	0	0	0	112.8	H528	S526-H528 PolarHBondContact O-N 3.04Å; S526-H528 VanDerWaalsContact O-N 3.13Å
527	S	28	Very low	28.6	Very low	115 Å²	115	120 Å²	120	80%	0.804	68%	0.682	S	S	*	*			trans	-78.1	95.2	176.6	38.3	0	0	0	0	112.2	D525	D525-S527 PolarHBondContact O-N 2.98Å
528	H	28.1	Very low	28.3	Very low	166 Å²	166	117.3 Å²	117.3	77%	0.769	66%	0.655	S	S	*	*			trans	-57.8	141.3	171.9	-100	-117.6	0	0	0	112.7	S526	S526-H528 PolarHBondContact O-N 3.04Å; S526-H528 VanDerWaalsContact O-N 3.13Å
529	L	28.1	Very low	28.3	Very low	168 Å²	168	117.9 Å²	117.9	88%	0.88	65%	0.653	S	S	*	*			trans	-135.2	55	176.9	-76.6	177.9	0	0	0	112.8
530	D	26.8	Very low	28.5	Very low	86 Å²	86	117.4 Å²	117.4	46%	0.46	65%	0.647	S	S	.	*			trans	-143	117.9	146.8	-144.9	-5.4	0	0	0	109.3	K230	K230-D530 IonicContact NZ-OD1 2.71Å; K230-D530 PolarHBondContact NZ-OD1 2.85Å; K230-D530 IonicContact NZ-OD2 3.74Å; K230-D530 PolarHBondContact NZ-OD2 2.65Å
531	S	26	Very low	28.2	Very low	100 Å²	100	116.8 Å²	116.8	70%	0.699	65%	0.645	S	S	*	*			trans	-153.1	56.3	-178.6	52.5	0	0	0	0	111.3
532	S	27.5	Very low	27.7	Very low	84 Å²	84	109.9 Å²	109.9	59%	0.587	64%	0.636	S	S	*	*			trans	-105.2	80.4	154.2	63.4	0	0	0	0	108.4
533	R	32.6	Very low	27.6	Very low	96 Å²	96	108.7 Å²	108.7	36%	0.362	64%	0.64	S	S	.	*			trans	-144.3	141	177.2	-88.6	-161.6	169.2	128.2	6	113.2	G109 D111 E163 T535	G109-R533 PolarHBondContact O-NH1 2.84Å; G109-R533 PolarHBondContact O-NH2 3.14Å; D111-R533 VanDerWaalsContact CG-NH2 3.28Å; D111-R533 VanDerWaalsContact N-NH2 3.11Å; D111-R533 IonicContact OD2-CZ 3.58Å; D111-R533 IonicContact OD2-NE 3.34Å; D111-R533 PolarHBondContact OD2-NE 3.38Å; D111-R533 IonicContact OD2-NH2 3.32Å; D111-R533 PolarHBondContact OD2-NH2 3.27Å; E163-R533 IonicContact OE1-CZ 3.31Å; E163-R533 VanDerWaalsContact OE1-CZ 3.32Å; E163-R533 IonicContact OE1-NE 3.08Å; E163-R533 IonicContact OE1-NH1 2.76Å; E163-R533 PolarHBondContact OE1-NH1 3.2Å; E163-R533 VanDerWaalsContact OE2-CD 3.3Å; E163-R533 WeakPolarHBondContact OE2-CD 3.37Å; E163-R533 IonicContact OE2-CZ 3.89Å; E163-R533 IonicContact OE2-NE 2.74Å; E163-R533 PolarHBondContact OE2-NE 2.88Å; E163-R533 IonicContact OE2-NH1 2.74Å; E163-R533 PolarHBondContact OE2-NH1 2.98Å; E163-R533 IonicContact OE2-NH2 3.98Å; R533-T535 VanDerWaalsContact C-N 3.29Å; R533-T535 PolarHBondContact O-N 2.96Å
534	D	27.8	Very low	27.8	Very low	89 Å²	89	108.5 Å²	108.5	48%	0.476	64%	0.636	S	S	.	*			trans	-74.6	72	165.2	-45.8	-108	0	0	0	111.3	R145	R145-D534 PolarHBondContact NH1-O 3.4Å; R145-D534 PolarHBondContact NH2-O 3.35Å
535	T	28.1	Very low	27.8	Very low	32 Å²	32	107.1 Å²	107.1	20%	0.196	64%	0.64	C	S	.	*				41.6	107.6	126.4	45.5	0	0	0	0	118	R145 L386 I389 R533	R145-T535 PolarHBondContact NH1-O 2.94Å; L386-T535 HydrophobicContact CD2-CG2 3.78Å; L386-T535 HydrophobicContact CG-CG2 4.22Å; L386-T535 PolarHBondContact O-OG1 3.29Å; I389-T535 HydrophobicContact CD1-CG2 4.09Å; R533-T535 VanDerWaalsContact C-N 3.29Å; R533-T535 PolarHBondContact O-N 2.96Å
536	D	28	Very low	28	Very low	68 Å²	68	105.8 Å²	105.8	36%	0.364	64%	0.642	S	S	.	*			cis	76.6	120.2	13.3	-112.3	56.4	0	0	0	116	K158 L386	K158-D536 IonicContact NZ-OD1 3.11Å; K158-D536 PolarHBondContact NZ-OD1 3.02Å; K158-D536 IonicContact NZ-OD2 2.82Å; K158-D536 PolarHBondContact NZ-OD2 3.35Å; L386-D536 VanDerWaalsContact CD1-O 3.25Å; L386-D536 WeakPolarHBondContact CD1-O 3.4Å; L386-D536 WeakPolarHBondContact CD2-O 3.34Å; L386-D536 WeakPolarHBondContact CG-O 3.3Å
537	S	29.4	Very low	28.1	Very low	72 Å²	72	110.8 Å²	110.8	50%	0.503	65%	0.652	S	S	.	*			trans	160.4	-171.2	-170.8	70.6	0	0	0	0	113.3	E382	E382-S537 PolarHBondContact OE1-OG 3.24Å
538	G	23.9	Very low	29	Very low	26 Å²	26	110.3 Å²	110.3	27%	0.268	65%	0.646	S	S	.	*			trans	155.6	-154.2	174.5	0	0	0	0	0	119
539	T	31.2	Very low	28.9	Very low	137 Å²	137	110.4 Å²	110.4	84%	0.84	65%	0.651	S	S	*	*			trans	93.6	166.9	172.7	76.6	0	0	0	0	117.9
540	P	38	Very low	28.8	Very low	109 Å²	109	111.3 Å²	111.3	71%	0.708	65%	0.648	S	S	*	*			cis	-148.2	176.2	13	46.3	-25.8	0	0	0	121.7
541	F	22.6	Very low	29.4	Very low	189 Å²	189	112.6 Å²	112.6	83%	0.829	66%	0.661	S	S	*	*			trans	74.1	127	141.9	-116.2	-97.4	0	0	0	125.5
542	S	24.3	Very low	29.4	Very low	112 Å²	112	112.2 Å²	112.2	78%	0.783	66%	0.664	S	S	*	*				171.6	154.5	119.6	-78.1	0	0	0	0	115.8
543	S	24.7	Very low	29.5	Very low	115 Å²	115	112.4 Å²	112.4	80%	0.804	67%	0.665	S	S	*	*			trans	-144.7	161.8	179.6	-39.2	0	0	0	0	112.4
544	P	31.8	Very low	29.2	Very low	121 Å²	121	114.2 Å²	114.2	79%	0.786	68%	0.682	S	S	*	*			trans	-124.8	132.6	173.7	37.1	-23.6	0	0	0	116.8
545	S	26.8	Very low	29.4	Very low	130 Å²	130	115.7 Å²	115.7	91%	0.909	70%	0.695	S	S	*	*			trans	53.1	150.1	152.9	-103.2	0	0	0	0	121.6
546	S	27.3	Very low	29.4	Very low	116 Å²	116	120.7 Å²	120.7	81%	0.811	72%	0.72	S	S	*	*			cis	-150.2	-167.7	4	63.9	0	0	0	0	112.6
547	K	28.5	Very low	29.5	Very low	195 Å²	195	125.5 Å²	125.5	85%	0.848	74%	0.74	S	S	*	*			trans	-108.6	-174.7	-168.8	-66.6	-178.9	178.9	177	0	112.1
548	P	46.7	Very low	29.5	Very low	105 Å²	105	125.2 Å²	125.2	68%	0.682	75%	0.749	S	S	*	*			cis	-133.8	174.6	-48.6	32.7	-14.7	0	0	0	113.9
549	L	27.4	Very low	29.7	Very low	169 Å²	169	129.8 Å²	129.8	89%	0.885	77%	0.772	S	S	*	*				168.9	156.2	120.9	-90.5	164.1	0	0	0	115.8
550	K	25	Very low	29.7	Very low	186 Å²	186	128.4 Å²	128.4	81%	0.809	77%	0.768	S	S	*	*			trans	-120.6	178.1	164.9	-108.5	-173.8	177.7	-175.5	0	106.9
551	P	39.6	Very low	30.4	Very low	114 Å²	114	128.8 Å²	128.8	74%	0.74	77%	0.77	S	S	*	*			cis	-106.7	177.8	7.1	3.6	23.1	0	0	0	113
552	A	26.7	Very low	31.8	Very low	91 Å²	91	124.6 Å²	124.6	75%	0.752	76%	0.762	S	S	*	*				66.9	146.1	57.6	0	0	0	0	0	114
553	S	29	Very low	32.4	Very low	88 Å²	88	127.7 Å²	127.7	62%	0.615	76%	0.761	S	S	*	*			cis	-157.7	-175.7	16.6	52.3	0	0	0	0	114
554	D	26.9	Very low	32.9	Very low	134 Å²	134	129.1 Å²	129.1	72%	0.717	76%	0.755	S	S	*	*			trans	73	113	148.1	-57.3	-27.3	0	0	0	120.5
555	T	31	Very low	32.9	Very low	121 Å²	121	129.7 Å²	129.7	74%	0.742	75%	0.75	S	S	*	*				73.3	147.6	93.6	20.8	0	0	0	0	116.2
556	D	28.7	Very low	32.8	Very low	137 Å²	137	128 Å²	128	73%	0.733	74%	0.737	S	S	*	*			cis	-156.7	177.5	7.2	-145.9	-16.8	0	0	0	113.5
557	E	29.8	Very low	33.1	Very low	168 Å²	168	129.4 Å²	129.4	79%	0.785	74%	0.735	S	S	*	*			trans	61.9	157.2	153.9	-81.1	-80	84	0	0	121.9
558	G	28.7	Very low	33.2	Very low	67 Å²	67	127.6 Å²	127.6	69%	0.691	73%	0.729	S	S	*	*			trans	168.1	-9.7	164.5	0	0	0	0	0	127.1
559	V	29.3	Very low	32.2	Very low	122 Å²	122	128 Å²	128	74%	0.739	73%	0.73	S	S	*	*			trans	56.8	99.5	159.9	-171.3	0	0	0	0	122
560	S	31.8	Very low	32.2	Very low	108 Å²	108	125.2 Å²	125.2	76%	0.755	73%	0.725	S	S	*	*				74.4	-172.5	128.9	-42.3	0	0	0	0	122.1
561	P	51.3	Low	33.4	Very low	117 Å²	117	122.5 Å²	122.5	76%	0.76	73%	0.726	S	S	*	*				-140.8	-143.4	-115.7	45.6	-20.9	0	0	0	114.2
562	P	52.8	Low	32.8	Very low	100 Å²	100	121.3 Å²	121.3	65%	0.649	73%	0.726	S	S	*	*			cis	-140	-175.8	-22.2	45.5	-28.5	0	0	0	117.3
563	K	37.1	Very low	33.8	Very low	178 Å²	178	122.8 Å²	122.8	77%	0.774	73%	0.728	S	S	*	*			trans	70	162.1	156.5	-64.7	179.4	170.4	-177.2	0	119.7
564	Q	33.7	Very low	33.7	Very low	145 Å²	145	123.9 Å²	123.9	68%	0.678	74%	0.736	S	S	*	*			cis	-165.4	-169	-25.6	-94.4	177.9	-108	0	0	106.4
565	I	31.9	Very low	33.9	Very low	132 Å²	132	121.8 Å²	121.8	68%	0.677	74%	0.737	S	S	*	*			cis	-162.1	162.7	6.6	-147.3	172	0	0	0	112
566	C	26.4	Very low	33.7	Very low	95 Å²	95	120.9 Å²	120.9	64%	0.642	74%	0.742	S	S	*	*			trans	54.6	144.8	160.7	-66.9	0	0	0	0	121.8
567	L	33.5	Very low	33.7	Very low	146 Å²	146	119 Å²	119	76%	0.764	75%	0.745	S	S	*	*			cis	84.1	139	39.6	-66.4	164.4	0	0	0	113.5
568	E	29	Very low	33.5	Very low	156 Å²	156	115.6 Å²	115.6	73%	0.729	75%	0.746	S	S	*	*			cis	-161.9	166.7	12.9	-146.6	169.5	172.3	0	0	116.2
569	T	26.8	Very low	33.4	Very low	114 Å²	114	118.6 Å²	118.6	70%	0.699	75%	0.751	S	S	*	*			trans	57.1	121.3	152.8	32.7	0	0	0	0	126.7
570	S	28.4	Very low	34	Very low	111 Å²	111	117.6 Å²	117.6	78%	0.776	75%	0.747	S	S	*	*				14.7	163.6	120	-49	0	0	0	0	123.1
571	P	49.8	Very low	33.8	Very low	128 Å²	128	120.4 Å²	120.4	83%	0.831	75%	0.748	S	S	*	*			cis	-136	-166.8	12.7	42.4	-22.5	0	0	0	117.1
572	A	27.3	Very low	32.7	Very low	89 Å²	89	121 Å²	121	74%	0.736	75%	0.749	S	S	*	*			trans	-89.7	-170.9	177.6	0	0	0	0	0	112.4
573	P	46.2	Very low	31.5	Very low	122 Å²	122	121.7 Å²	121.7	79%	0.792	76%	0.757	S	S	*	*			cis	-147.1	-171.4	10.7	43.4	-21.7	0	0	0	118.6
574	S	27.8	Very low	31.2	Very low	112 Å²	112	117.7 Å²	117.7	78%	0.783	76%	0.757	S	S	*	*			trans	109	116.4	140.5	-149.8	0	0	0	0	121.8
575	A	29.7	Very low	31	Very low	89 Å²	89	115.3 Å²	115.3	74%	0.736	76%	0.762	S	S	*	*			trans	42	133.6	136.1	0	0	0	0	0	125.1
576	A	28.6	Very low	30.9	Very low	103 Å²	103	113.5 Å²	113.5	85%	0.851	77%	0.767	S	S	*	*			trans	66.6	152.8	139.6	0	0	0	0	0	119.6
577	A	27.2	Very low	31.1	Very low	97 Å²	97	113.8 Å²	113.8	80%	0.802	78%	0.776	S	S	*	*			cis	-166.9	-173.4	-21.6	0	0	0	0	0	108.7
578	A	26.9	Very low	31	Very low	96 Å²	96	111.1 Å²	111.1	79%	0.793	78%	0.775	S	S	*	*			trans	83	114.1	165.6	0	0	0	0	0	120.2
579	T	26.7	Very low	31.1	Very low	131 Å²	131	108.2 Å²	108.2	80%	0.804	78%	0.778	S	S	*	*			trans	-32	167.2	136.3	37.8	0	0	0	0	116.3
580	P	41.2	Very low	31.4	Very low	101 Å²	101	109.1 Å²	109.1	66%	0.656	78%	0.783	S	S	*	*			cis	-149.3	-171.1	34.7	42.9	-21.3	0	0	0	118.7
581	Q	27.9	Very low	31.8	Very low	166 Å²	166	108.9 Å²	108.9	78%	0.776	78%	0.781	S	S	*	*			trans	68	105.2	147.2	-83.8	164.7	-4.6	0	0	119.1
582	T	27.1	Very low	31.1	Very low	129 Å²	129	107.9 Å²	107.9	79%	0.791	78%	0.777	S	S	*	*				93.3	119.2	73.7	50.3	0	0	0	0	115
583	S	28.9	Very low	31.6	Very low	116 Å²	116	109 Å²	109	81%	0.811	78%	0.779	S	S	*	*			trans	175.5	146.3	130.2	55.6	0	0	0	0	112.7
584	A	29.6	Very low	31	Very low	93 Å²	93	107.9 Å²	107.9	77%	0.769	78%	0.781	S	S	*	*			trans	52.1	134.3	157.6	0	0	0	0	0	119.9
585	A	29	Very low	31.1	Very low	96 Å²	96	106.8 Å²	106.8	79%	0.793	78%	0.779	S	S	*	*			cis	73.9	133.5	39.5	0	0	0	0	0	114
586	A	30.2	Very low	31.4	Very low	93 Å²	93	107.5 Å²	107.5	77%	0.769	78%	0.784	S	S	*	*			cis	-167.5	171.4	-9.6	0	0	0	0	0	112.2
587	A	30.8	Very low	31.4	Very low	101 Å²	101	107.3 Å²	107.3	84%	0.835	78%	0.783	S	S	*	*			trans	70.7	165.4	157	0	0	0	0	0	117.9
588	A	31.2	Very low	31.7	Very low	90 Å²	90	111.3 Å²	111.3	74%	0.744	79%	0.785	S	S	*	*			cis	-155.1	150.3	3.7	0	0	0	0	0	114.5
589	A	32.5	Very low	33	Very low	95 Å²	95	112.6 Å²	112.6	79%	0.785	79%	0.785	S	S	*	*			trans	61.3	169	146.5	0	0	0	0	0	119.4
590	V	32.9	Very low	33.2	Very low	133 Å²	133	110.4 Å²	110.4	81%	0.806	78%	0.781	S	S	*	*			cis	-138.4	157.8	15.2	-179.1	0	0	0	0	112.4
591	S	36.1	Very low	32.9	Very low	106 Å²	106	110.3 Å²	110.3	74%	0.741	79%	0.788	S	S	*	*			trans	-39.5	174.1	173	-41.4	0	0	0	0	118.7
592	S	36.1	Very low	33	Very low	108 Å²	108	107.7 Å²	107.7	76%	0.755	79%	0.788	S	S	*	*			cis	-157.8	-166.7	24.5	-44.2	0	0	0	0	109
593	S	36.3	Very low	33.2	Very low	111 Å²	111	105.9 Å²	105.9	78%	0.776	79%	0.787	S	S	*	*			cis	175.4	153.6	-20.3	41.4	0	0	0	0	105.9
594	A	35.3	Very low	33.2	Very low	100 Å²	100	105.2 Å²	105.2	83%	0.826	79%	0.788	S	S	*	*			cis	-156.5	-146.3	-7.2	0	0	0	0	0	105.9
595	A	29.7	Very low	33.2	Very low	89 Å²	89	105.1 Å²	105.1	74%	0.736	79%	0.787	S	S	*	*			cis	-163.9	154.4	1.9	0	0	0	0	0	111.9
596	A	34.6	Very low	33.3	Very low	103 Å²	103	107 Å²	107	85%	0.851	79%	0.789	S	S	*	*			trans	46	146.6	134.5	0	0	0	0	0	123.2
597	A	30.3	Very low	33.3	Very low	99 Å²	99	110.1 Å²	110.1	82%	0.818	79%	0.787	S	S	*	*			cis	-150.8	171.3	12.7	0	0	0	0	0	114.7
598	Q	32.2	Very low	33.3	Very low	182 Å²	182	113.4 Å²	113.4	85%	0.85	79%	0.785	S	S	*	*			trans	-140.3	166.8	171.7	-104.2	-161.9	0.5	0	0	111
599	P	54.4	Low	33.1	Very low	122 Å²	122	116.5 Å²	116.5	79%	0.792	79%	0.789	S	S	*	*				-144.6	171.6	125.1	37.7	-24.1	0	0	0	113.9
600	A	31.8	Very low	32.9	Very low	86 Å²	86	116.7 Å²	116.7	71%	0.711	79%	0.791	S	S	*	*			cis	-175.3	169.6	-29.4	0	0	0	0	0	110.1
601	A	33.6	Very low	32.7	Very low	99 Å²	99	114.6 Å²	114.6	82%	0.818	79%	0.788	S	S	*	*			trans	70.4	145.2	161.8	0	0	0	0	0	119.4
602	S	30.3	Very low	32.2	Very low	110 Å²	110	121 Å²	121	77%	0.769	80%	0.796	S	S	*	*			cis	-163.7	157.1	-9	44.1	0	0	0	0	113.9
603	A	30.9	Very low	31.6	Very low	92 Å²	92	122.2 Å²	122.2	76%	0.76	80%	0.803	S	S	*	*			trans	60.5	112.9	158.9	0	0	0	0	0	118.8
604	A	30	Very low	31.3	Very low	102 Å²	102	122.2 Å²	122.2	84%	0.843	80%	0.803	S	S	*	*				81.4	130.3	71.2	0	0	0	0	0	113.4
605	A	30.2	Very low	32.1	Very low	90 Å²	90	123.1 Å²	123.1	74%	0.744	80%	0.8	S	S	*	*			cis	-141.4	-157.7	0.2	0	0	0	0	0	109.1
606	T	30.7	Very low	32.7	Very low	136 Å²	136	124.9 Å²	124.9	83%	0.834	80%	0.804	S	S	*	*			cis	-157.5	-174.9	16.3	-28.8	0	0	0	0	110.8
607	E	30.3	Very low	32.4	Very low	158 Å²	158	125 Å²	125	74%	0.738	81%	0.805	S	S	*	*			trans	-76.8	170.9	-179.6	-47	-179.1	173.5	0	0	113.6
608	Q	29.3	Very low	32.1	Very low	170 Å²	170	124.2 Å²	124.2	79%	0.794	81%	0.806	S	S	*	*			cis	-153.5	170.8	14.4	-149.8	169.5	83	0	0	112.6
609	D	28.4	Very low	32.1	Very low	155 Å²	155	120.9 Å²	120.9	83%	0.829	80%	0.803	S	S	*	*			trans	-69.1	156.5	-172.3	-88.9	-75.2	0	0	0	118.5
610	A	28.6	Very low	30.8	Very low	99 Å²	99	120.1 Å²	120.1	82%	0.818	80%	0.801	S	S	*	*				-168.6	103.4	128.8	0	0	0	0	0	115.3
611	A	28.6	Very low	30.7	Very low	90 Å²	90	123.6 Å²	123.6	74%	0.744	81%	0.806	S	S	*	*			trans	26.2	117.2	146.6	0	0	0	0	0	123.3
612	R	25.1	Very low	30.4	Very low	241 Å²	241	124.7 Å²	124.7	91%	0.909	81%	0.808	S	S	*	*			trans	24.6	127.5	131.3	-64	177.3	175.1	175.3	-1.9	120.2
613	C	23.7	Very low	30.2	Very low	132 Å²	132	123.3 Å²	123.3	89%	0.892	81%	0.811	S	S	*	*				-153.9	152.5	128	-124.9	0	0	0	0	112.7
614	S	28.7	Very low	30	Very low	112 Å²	112	123.5 Å²	123.5	78%	0.783	81%	0.812	S	S	*	*			trans	-110.4	175.8	174.8	-58.4	0	0	0	0	109.6
615	P	52.8	Low	30	Very low	118 Å²	118	126 Å²	126	77%	0.766	81%	0.811	S	S	*	*			trans	-82.4	178.2	-150.6	37.7	-40.3	0	0	0	114.3
616	P	41.4	Very low	29.9	Very low	126 Å²	126	127.7 Å²	127.7	82%	0.818	82%	0.817	S	S	*	*				-138.7	177.8	102.6	39.8	-29	0	0	0	114.5
617	A	29.4	Very low	29.8	Very low	106 Å²	106	127.7 Å²	127.7	88%	0.876	81%	0.812	S	S	*	*			trans	-82.1	160.8	175	0	0	0	0	0	112.8
618	G	24.4	Very low	29.6	Very low	82 Å²	82	124.4 Å²	124.4	85%	0.845	81%	0.812	S	S	*	*			trans	-174.9	141.6	170.7	0	0	0	0	0	111.4
619	S	31.7	Very low	29.7	Very low	112 Å²	112	123 Å²	123	78%	0.783	82%	0.815	S	S	*	*			trans	-123	161.5	180	60.4	0	0	0	0	111.8
620	S	27.9	Very low	29.8	Very low	107 Å²	107	124.3 Å²	124.3	75%	0.748	81%	0.813	S	S	*	*			trans	103.4	150.9	152.2	-44.7	0	0	0	0	119.5
621	I	28.5	Very low	30.1	Very low	159 Å²	159	125.7 Å²	125.7	82%	0.815	81%	0.813	S	S	*	*			trans	84.3	97.6	159.2	-38.4	-170	0	0	0	119.9
622	S	27.3	Very low	30.1	Very low	122 Å²	122	126.3 Å²	126.3	85%	0.853	81%	0.813	S	S	*	*			trans	4.4	140	140	-46.2	0	0	0	0	123.7
623	G	26.4	Very low	30.5	Very low	81 Å²	81	120.1 Å²	120.1	84%	0.835	81%	0.806	S	S	*	*			trans	124.1	139.4	149.1	0	0	0	0	0	115.2
624	A	27.3	Very low	31.3	Very low	95 Å²	95	119.9 Å²	119.9	79%	0.785	80%	0.803	S	S	*	*			cis	-157.8	155	-9.4	0	0	0	0	0	112.5
625	L	28.6	Very low	31.4	Very low	155 Å²	155	123.8 Å²	123.8	81%	0.812	81%	0.806	S	S	*	*			trans	20.2	124.9	155.3	-66	165.7	0	0	0	121.5
626	S	29.1	Very low	30.2	Very low	126 Å²	126	126.9 Å²	126.9	88%	0.881	81%	0.81	S	S	*	*			trans	-135.9	136.7	130.8	55.5	0	0	0	0	109.4
627	D	29.1	Very low	29.7	Very low	135 Å²	135	129.8 Å²	129.8	72%	0.722	81%	0.813	S	S	*	*			trans	-99.8	138.8	-166.3	-120.7	-47.6	0	0	0	112.6
628	A	26.1	Very low	30.5	Very low	89 Å²	89	130.1 Å²	130.1	74%	0.736	81%	0.806	S	S	*	*			trans	-162.7	105.1	158.1	0	0	0	0	0	112.9
629	V	29.8	Very low	30.8	Very low	141 Å²	141	134.3 Å²	134.3	86%	0.855	81%	0.809	S	S	*	*			trans	66.4	123.3	159.6	-169	0	0	0	0	118
630	K	30.5	Very low	30.6	Very low	183 Å²	183	132.2 Å²	132.2	80%	0.796	81%	0.805	S	S	*	*			trans	-111.6	152.5	172.1	-62	172.5	-178.4	169.8	0	111.5
631	P	34.9	Very low	30.7	Very low	127 Å²	127	134.6 Å²	134.6	83%	0.825	81%	0.808	S	S	*	*			trans	-99.7	154.5	150.4	36.3	-29.6	0	0	0	111.5
632	S	29.6	Very low	30.7	Very low	104 Å²	104	135 Å²	135	73%	0.727	81%	0.807	S	S	*	*			trans	-154.7	136.6	174.1	57.1	0	0	0	0	113.5
633	S	33.2	Very low	30.8	Very low	111 Å²	111	137.8 Å²	137.8	78%	0.776	81%	0.806	S	S	*	*			trans	55.5	138.4	161	58.2	0	0	0	0	120.2
634	P	41.3	Very low	32	Very low	127 Å²	127	138.6 Å²	138.6	83%	0.825	80%	0.797	S	S	*	*			trans	-128.9	142.8	144.3	36.9	-26.2	0	0	0	112.9
635	K	29.8	Very low	33	Very low	194 Å²	194	139.9 Å²	139.9	84%	0.843	80%	0.797	S	S	*	*			trans	-159.6	154.8	154	-136	-170.6	179.7	-161.9	0	110.7
636	E	26.9	Very low	33.2	Very low	183 Å²	183	136.7 Å²	136.7	86%	0.855	79%	0.793	S	S	*	*			trans	79.6	153.3	174.6	-54.7	-171.9	165.9	0	0	117
637	E	32.7	Very low	34	Very low	187 Å²	187	136.5 Å²	136.5	87%	0.874	79%	0.789	S	S	*	*			trans	-94.5	-168.8	-170.3	-68.2	-169	132.4	0	0	109.8
638	P	44.9	Very low	33.9	Very low	112 Å²	112	134.9 Å²	134.9	73%	0.727	79%	0.794	S	S	*	*			cis	-144.1	-171.3	8.2	45.2	-25.5	0	0	0	116.8
639	N	30.7	Very low	34.1	Very low	170 Å²	170	135.4 Å²	135.4	91%	0.909	80%	0.799	S	S	*	*			trans	-158.8	150.5	140.3	-117.4	-17	0	0	0	111.3
640	G	27.1	Very low	34	Very low	68 Å²	68	132.9 Å²	132.9	70%	0.701	79%	0.792	S	S	*	*			trans	-165.4	170.8	179.6	0	0	0	0	0	112.7
641	L	30.8	Very low	33.8	Very low	157 Å²	157	129.6 Å²	129.6	82%	0.822	79%	0.788	S	S	*	*			trans	-147	118.6	-178.6	-97.3	158	0	0	0	111.1
642	E	27.9	Very low	33.4	Very low	168 Å²	168	132.5 Å²	132.5	79%	0.785	79%	0.788	S	S	*	*			trans	35.5	109.6	147.4	-63.5	173.3	160	0	0	119
643	E	30.6	Very low	33.7	Very low	181 Å²	181	138.9 Å²	138.9	85%	0.846	80%	0.796	S	S	*	*				87	156.1	74.8	-91.8	-134.6	141	0	0	114.4
644	P	50.6	Low	34.7	Very low	98 Å²	98	137.9 Å²	137.9	64%	0.636	79%	0.787	S	S	*	*			cis	-131.8	-152.7	-27.8	39.9	-21.9	0	0	0	110.3
645	P	49.2	Very low	34	Very low	121 Å²	121	140.6 Å²	140.6	79%	0.786	79%	0.788	S	S	*	*			cis	-119.6	-178.5	-40.8	26.2	-5.4	0	0	0	113
646	A	32.9	Very low	34.4	Very low	89 Å²	89	136.2 Å²	136.2	74%	0.736	78%	0.782	S	S	*	*			trans	-92.4	174.6	166.2	0	0	0	0	0	112.3
647	P	45.4	Very low	35.4	Very low	122 Å²	122	133.4 Å²	133.4	79%	0.792	78%	0.779	S	S	*	*				-155.4	162.9	87.5	41.3	-22.5	0	0	0	118.9
648	A	27	Very low	35.5	Very low	100 Å²	100	130.4 Å²	130.4	83%	0.826	77%	0.774	S	S	*	*			trans	34.9	137.7	141.7	0	0	0	0	0	124.4
649	A	29.4	Very low	34.9	Very low	101 Å²	101	132.5 Å²	132.5	84%	0.835	77%	0.774	S	S	*	*			trans	-66.5	163.2	173.6	0	0	0	0	0	117.4
650	A	27.7	Very low	35	Very low	87 Å²	87	130.9 Å²	130.9	72%	0.719	77%	0.766	S	S	*	*			trans	-164.6	129.4	141.6	0	0	0	0	0	116.7
651	T	26.9	Very low	35	Very low	115 Å²	115	134.4 Å²	134.4	71%	0.706	77%	0.768	S	S	*	*			trans	59.5	130.5	137.4	55.5	0	0	0	0	126.3
652	K	26	Very low	34.9	Very low	188 Å²	188	134 Å²	134	82%	0.817	77%	0.766	S	S	*	*			trans	74.5	112.1	132.6	-66.9	167	-173.4	174.1	0	121.9
653	R	35.6	Very low	34.9	Very low	237 Å²	237	130.3 Å²	130.3	89%	0.894	76%	0.764	S	S	*	*				20.1	160	117.2	-83.9	-168.3	-177.3	-179.2	2	120.6
654	P	54.5	Low	34.9	Very low	91 Å²	91	131 Å²	131	59%	0.591	77%	0.765	S	S	*	*			cis	-142.3	-178.1	-21.1	36.7	-16.4	0	0	0	114.6
655	H	28.1	Very low	33.7	Very low	183 Å²	183	136.5 Å²	136.5	85%	0.847	77%	0.773	S	S	*	*				171.2	165.5	119.2	-95.3	-73.9	0	0	0	112.7
656	S	36.9	Very low	32.6	Very low	103 Å²	103	137.8 Å²	137.8	72%	0.72	77%	0.768	S	S	*	*			trans	-127.9	174.2	176.2	56	0	0	0	0	110.6
657	P	48.8	Very low	32.4	Very low	123 Å²	123	141.5 Å²	141.5	80%	0.799	77%	0.768	S	S	*	*				-145.6	-167.9	104.6	38.7	-21.7	0	0	0	115.6
658	T	35.2	Very low	31.4	Very low	125 Å²	125	141.2 Å²	141.2	77%	0.767	76%	0.759	S	S	*	*			trans	-83.8	-175.1	-172.9	43.8	0	0	0	0	113.3
659	Q	32.4	Very low	31.6	Very low	156 Å²	156	140.9 Å²	140.9	73%	0.729	75%	0.751	S	S	*	*			cis	-171	160.7	35.9	-166.9	167.1	-5.6	0	0	115.5
660	D	31.2	Very low	31.6	Very low	135 Å²	135	143.5 Å²	143.5	72%	0.722	75%	0.751	S	S	*	*			trans	0.1	165.3	152.1	-43.7	-25.5	0	0	0	121.6
661	D	28.3	Very low	31.5	Very low	142 Å²	142	144.2 Å²	144.2	76%	0.759	76%	0.757	S	S	*	*			cis	-179.2	-179.9	-22.8	179.1	28.9	0	0	0	108
662	L	28.1	Very low	31.9	Very low	148 Å²	148	145.4 Å²	145.4	78%	0.775	76%	0.764	S	S	*	*			trans	116.1	135.2	151.4	-62.1	175.3	0	0	0	121.4
663	A	28.8	Very low	33	Very low	91 Å²	91	142 Å²	142	75%	0.752	76%	0.761	S	S	*	*			trans	56.9	129.6	146.9	0	0	0	0	0	120.8
664	K	29.3	Very low	32.8	Very low	197 Å²	197	135.5 Å²	135.5	86%	0.857	75%	0.752	S	S	*	*			cis	86.8	121	44.2	-81.8	-176.7	176	167.7	0	116.4
665	R	26.2	Very low	31.6	Very low	213 Å²	213	138.3 Å²	138.3	80%	0.804	76%	0.762	S	S	*	*			trans	84.3	130.2	142.9	-85	179.3	157.7	-163	-3.6	121.6
666	H	26.5	Very low	31.8	Very low	148 Å²	148	136.1 Å²	136.1	69%	0.685	76%	0.756	S	S	*	*			trans	75.7	114.3	136.2	-80	-54.9	0	0	0	122.4
667	K	27.5	Very low	31.5	Very low	166 Å²	166	136.7 Å²	136.7	72%	0.722	76%	0.761	S	S	*	*				103.1	136.2	103.2	-170.4	177.7	172.3	-180	0	119
668	D	25.5	Very low	30.8	Very low	116 Å²	116	136.3 Å²	136.3	62%	0.62	76%	0.756	S	S	*	*			trans	52.3	114	159.1	-64.7	12.2	0	0	0	122.4
669	S	29.9	Very low	30.4	Very low	94 Å²	94	138.8 Å²	138.8	66%	0.657	76%	0.756	S	S	*	*				65.5	145.2	109.6	-45.7	0	0	0	0	124
670	D	29.7	Very low	30.3	Very low	156 Å²	156	138.3 Å²	138.3	83%	0.834	75%	0.752	S	S	*	*			trans	62.9	106.3	149.5	-53.7	-28.9	0	0	0	121
671	A	26.6	Very low	30.4	Very low	102 Å²	102	138.5 Å²	138.5	84%	0.843	75%	0.749	S	S	*	*				-167.8	147.8	114.5	0	0	0	0	0	113.6
672	V	35.7	Very low	31.3	Very low	139 Å²	139	137.6 Å²	137.6	84%	0.842	75%	0.751	S	S	*	*			trans	-124.1	139.1	172.1	170.9	0	0	0	0	103.6
673	P	48.9	Very low	31.6	Very low	118 Å²	118	140.5 Å²	140.5	77%	0.766	75%	0.753	S	S	*	*				-163.3	173	80.3	45.6	-23.9	0	0	0	121.1
674	S	30.1	Very low	33.4	Very low	100 Å²	100	141.6 Å²	141.6	70%	0.699	75%	0.752	S	S	*	*			trans	81.7	133.6	140.1	-136.6	0	0	0	0	123.4
675	D	29.6	Very low	34.3	Very low	149 Å²	149	137.2 Å²	137.2	80%	0.797	74%	0.744	S	S	*	*			trans	115.5	150.3	144.8	-68	6.1	0	0	0	116.5
676	D	32.6	Very low	34.5	Very low	137 Å²	137	132.2 Å²	132.2	73%	0.733	74%	0.742	S	S	*	*			cis	-173.5	147.4	-49.5	178.3	34.2	0	0	0	106.3
677	S	30.3	Very low	34.8	Very low	116 Å²	116	130 Å²	130	81%	0.811	74%	0.743	S	S	*	*			trans	164.4	164.8	159.7	42.1	0	0	0	0	114.1
678	T	34.3	Very low	34.8	Very low	115 Å²	115	129.1 Å²	129.1	71%	0.706	75%	0.746	S	S	*	*			trans	-148.9	153	-146.5	-33.9	0	0	0	0	112.6
679	F	26.4	Very low	34.8	Very low	176 Å²	176	129.7 Å²	129.7	77%	0.772	76%	0.757	S	S	*	*				162.6	125.8	122.4	-124	-118.3	0	0	0	117.2
680	K	31.2	Very low	34.9	Very low	147 Å²	147	130.5 Å²	130.5	64%	0.639	76%	0.763	S	S	*	*			trans	32.1	130.7	142.4	-71.8	-168.4	172.2	-86.3	0	123.3
681	E	33.1	Very low	35.9	Very low	139 Å²	139	127.6 Å²	127.6	65%	0.65	75%	0.753	S	S	*	*				81.8	150.4	66.7	-90.5	-170.1	124.9	0	0	115
682	P	46.3	Very low	36.1	Very low	123 Å²	123	131.7 Å²	131.7	80%	0.799	75%	0.754	S	S	*	*			cis	-142.4	-162	37.4	42.3	-20.5	0	0	0	118.4
683	Y	34.5	Very low	35.8	Very low	209 Å²	209	128.2 Å²	128.2	82%	0.82	75%	0.746	S	S	*	*			trans	-127.4	-178.2	-169.8	-95.9	-71.2	0	0	0	113
684	P	66.9	Low	34.8	Very low	114 Å²	114	132.2 Å²	132.2	74%	0.74	76%	0.755	S	S	*	*			cis	-118.7	-105.8	-18.2	32.7	-9.4	0	0	0	112.5
685	P	47.6	Very low	34.9	Very low	105 Å²	105	132 Å²	132	68%	0.682	76%	0.759	S	S	*	*			cis	-132.9	175	-7.9	42.8	-23.7	0	0	0	118.6
686	S	32.2	Very low	35.7	Very low	108 Å²	108	130.9 Å²	130.9	76%	0.755	76%	0.759	S	S	*	*			trans	59.3	128.3	147	58.5	0	0	0	0	126.5
687	S	31	Very low	35.5	Very low	101 Å²	101	127.5 Å²	127.5	71%	0.706	76%	0.757	S	S	*	*			trans	110.4	104	130.4	-83.8	0	0	0	0	124.3
688	D	28.3	Very low	35.6	Very low	148 Å²	148	128.7 Å²	128.7	79%	0.791	76%	0.76	S	S	*	*				96.5	149.6	120.2	-67.6	-49.1	0	0	0	126.2
689	C	25.9	Very low	36.4	Very low	128 Å²	128	128.6 Å²	128.6	87%	0.865	76%	0.761	S	S	*	*			trans	73.3	104.2	165.8	-75.1	0	0	0	0	122.3
690	S	31.2	Very low	37.4	Very low	110 Å²	110	125 Å²	125	77%	0.769	76%	0.756	S	S	*	*			trans	-94.4	175.3	138.9	67.2	0	0	0	0	109.5
691	P	50.8	Low	37.3	Very low	96 Å²	96	126 Å²	126	62%	0.623	76%	0.762	S	S	*	*				-156.6	175.4	77.6	41.9	-21.2	0	0	0	118.1
692	H	32	Very low	37.3	Very low	188 Å²	188	124.4 Å²	124.4	87%	0.87	77%	0.767	S	S	*	*			trans	65.5	138.1	163.3	-55.9	-59.1	0	0	0	119.9
693	G	28.4	Very low	36.4	Very low	65 Å²	65	122.3 Å²	122.3	67%	0.67	77%	0.767	S	S	*	*			cis	-175.6	166.1	-4.5	0	0	0	0	0	116.6
694	E	28.2	Very low	36.2	Very low	203 Å²	203	118 Å²	118	95%	0.949	77%	0.767	S	S	*	*			trans	67.4	114.4	161.5	-53.9	-162.1	129.2	0	0	121.2
695	A	32.1	Very low	34.4	Very low	96 Å²	96	121.7 Å²	121.7	79%	0.793	77%	0.772	S	S	*	*			trans	-99.5	-151.7	153.6	0	0	0	0	0	107.5
696	P	46.8	Very low	33.5	Very low	124 Å²	124	121.2 Å²	121.2	81%	0.805	78%	0.777	S	S	*	*			cis	-123.5	176.5	-1.1	42.8	-25.6	0	0	0	113.2
697	G	28.6	Very low	33.4	Very low	67 Å²	67	125.8 Å²	125.8	69%	0.691	78%	0.783	S	S	*	*				107	154.8	80	0	0	0	0	0	111.1
698	T	31.3	Very low	33.8	Very low	141 Å²	141	125.9 Å²	125.9	87%	0.865	78%	0.782	S	S	*	*			cis	-163.9	161.8	-6	7.7	0	0	0	0	110.6
699	P	51.3	Low	33.9	Very low	113 Å²	113	125.9 Å²	125.9	73%	0.734	78%	0.78	S	S	*	*			trans	-87	-178.3	-179.8	38.8	-36.9	0	0	0	113.1
700	P	47.5	Very low	34.3	Very low	101 Å²	101	125 Å²	125	66%	0.656	77%	0.773	S	S	*	*			cis	-135.2	-160.2	19.7	43.9	-22.3	0	0	0	115.4
701	H	30	Very low	34.2	Very low	166 Å²	166	125.7 Å²	125.7	77%	0.769	77%	0.773	S	S	*	*				-158	138	82	-101.5	-82.4	0	0	0	116.2
702	S	32.2	Very low	33.2	Very low	107 Å²	107	128.7 Å²	128.7	75%	0.748	78%	0.782	S	S	*	*			trans	-10.9	147.9	151.8	51.7	0	0	0	0	120.5
703	G	28.2	Very low	32.9	Very low	79 Å²	79	126.8 Å²	126.8	81%	0.814	78%	0.778	S	S	*	*			cis	-178.4	-175.2	3.7	0	0	0	0	0	109.6
704	S	29.1	Very low	32.9	Very low	117 Å²	117	129.4 Å²	129.4	82%	0.818	78%	0.781	S	S	*	*			cis	-166.7	171.1	13.2	-172.8	0	0	0	0	112
705	K	30.5	Very low	32.7	Very low	192 Å²	192	125.3 Å²	125.3	84%	0.835	78%	0.775	S	S	*	*			trans	78.8	99.9	166	-58.7	-172.5	179.4	179.8	0	122.5
706	A	27.3	Very low	32.6	Very low	95 Å²	95	132.1 Å²	132.1	79%	0.785	78%	0.78	S	S	*	*				57.8	117.8	126.4	0	0	0	0	0	125.1
707	K	30.1	Very low	31.7	Very low	204 Å²	204	132.3 Å²	132.3	89%	0.887	78%	0.779	S	S	*	*			trans	40	153.1	131.9	-73.9	-171.6	178.5	-175.4	0	122.4
708	P	40.5	Very low	31.8	Very low	104 Å²	104	138 Å²	138	68%	0.675	79%	0.788	S	S	*	*			cis	-136.9	170.2	-10.6	40.9	-23.3	0	0	0	117.1
709	I	30.1	Very low	31.6	Very low	147 Å²	147	143 Å²	143	75%	0.754	79%	0.791	S	S	*	*			trans	39.1	138.8	137.4	-62.6	171	0	0	0	119.9
710	P	35.1	Very low	30.5	Very low	111 Å²	111	145.2 Å²	145.2	72%	0.721	80%	0.795	S	S	*	*			cis	-118	152.9	22	13.4	11.6	0	0	0	115
711	T	27.4	Very low	29.5	Very low	124 Å²	124	146.3 Å²	146.3	76%	0.761	80%	0.802	S	S	*	*				71.4	102.5	66.6	-38.6	0	0	0	0	113.6
712	I	30.5	Very low	29.3	Very low	159 Å²	159	142.7 Å²	142.7	82%	0.815	80%	0.796	S	S	*	*			trans	-97.5	137.9	166.9	-60	162.3	0	0	0	107.3
713	D	25.4	Very low	29.1	Very low	148 Å²	148	145.8 Å²	145.8	79%	0.791	80%	0.8	S	S	*	*			trans	-149.4	167.9	144.1	-146.4	-21.2	0	0	0	111.3
714	T	27.9	Very low	29.3	Very low	120 Å²	120	149.9 Å²	149.9	74%	0.736	80%	0.798	S	S	*	*			trans	-90.1	154.4	-163.9	56	0	0	0	0	113.1
715	S	25.7	Very low	29.5	Very low	116 Å²	116	152.2 Å²	152.2	81%	0.811	80%	0.801	S	S	*	*			trans	-121.9	107.9	166.1	51	0	0	0	0	110.6
716	R	28.5	Very low	29.7	Very low	239 Å²	239	148.5 Å²	148.5	90%	0.902	80%	0.796	S	S	*	*			trans	-92.4	102.8	-179.1	179	-170.1	-174.9	-172.2	3.8	109.8
717	T	29.6	Very low	30	Very low	128 Å²	128	151.5 Å²	151.5	79%	0.785	80%	0.799	S	S	*	*			trans	-121.4	128.4	175.7	-47	0	0	0	0	111
718	Q	29.2	Very low	29.9	Very low	188 Å²	188	145.7 Å²	145.7	88%	0.879	79%	0.789	S	S	*	*			trans	-70.5	147.2	177.3	-65.2	167.2	-19.7	0	0	110.7
719	R	27.6	Very low	29.5	Very low	245 Å²	245	146 Å²	146	93%	0.925	79%	0.793	S	S	*	*			trans	-130.3	123.3	177.3	-150.5	176.6	-165.1	-180	4	110.5
720	L	28	Very low	29.5	Very low	160 Å²	160	143.9 Å²	143.9	84%	0.838	79%	0.792	S	S	*	*			trans	-77.1	146.1	173.2	-66.8	166.4	0	0	0	110.1	S722	L720-S722 PolarHBondContact O-N 3.4Å
721	P	27.4	Very low	29.4	Very low	123 Å²	123	144.8 Å²	144.8	80%	0.799	80%	0.798	S	S	*	*			trans	-79.8	100.1	178.7	31.2	-33.2	0	0	0	111.3
722	S	26	Very low	29.6	Very low	90 Å²	90	146.7 Å²	146.7	63%	0.629	80%	0.802	S	S	*	*			trans	-87.1	130.2	158.1	-169.7	0	0	0	0	109	L720 E724	L720-S722 PolarHBondContact O-N 3.4Å; S722-E724 PolarHBondContact O-N 3.07Å
723	M	28.3	Very low	29.6	Very low	172 Å²	172	145 Å²	145	85%	0.847	80%	0.802	S	S	*	*			trans	-98.5	66.5	179.1	-74.5	-92.3	69.7	0	0	111.3
724	E	31	Very low	30	Very low	165 Å²	165	142.6 Å²	142.6	77%	0.771	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-92.8	128.3	163.5	-67.4	178.7	155.2	0	0	108.8	S722	S722-E724 PolarHBondContact O-N 3.07Å
725	L	33.6	Very low	30.4	Very low	166 Å²	166	142.4 Å²	142.4	87%	0.869	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-84.6	130.8	168.5	-74.2	170.9	0	0	0	108.6
726	P	34.8	Very low	30.6	Very low	114 Å²	114	144.7 Å²	144.7	74%	0.74	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-73.3	144.4	-176	29.8	-35.1	0	0	0	112.1
727	D	33.1	Very low	30.9	Very low	159 Å²	159	138.9 Å²	138.9	85%	0.85	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-70.5	139.6	168	-155.8	-12.7	0	0	0	110.1
728	A	29.4	Very low	31.1	Very low	82 Å²	82	137.4 Å²	137.4	68%	0.678	80%	0.799	S	S	*	*			trans	-147.7	52.2	-163.5	0	0	0	0	0	113.4	S730	A728-S730 VanDerWaalsContact C-N 3.33Å; A728-S730 PolarHBondContact O-N 2.89Å
729	S	32	Very low	31.2	Very low	109 Å²	109	140 Å²	140	76%	0.762	80%	0.801	S	S	*	*			trans	-75.6	76.2	173.1	62.8	0	0	0	0	112.6
730	S	29.3	Very low	31.7	Very low	104 Å²	104	131.4 Å²	131.4	73%	0.727	78%	0.776	S	S	*	*			trans	-159.7	130	166.5	-82.1	0	0	0	0	112	A728	A728-S730 VanDerWaalsContact C-N 3.33Å; A728-S730 PolarHBondContact O-N 2.89Å
731	P	33.1	Very low	32.6	Very low	129 Å²	129	127.9 Å²	127.9	84%	0.838	76%	0.76	S	S	*	*			trans	-85.9	131.4	178.4	32.9	-32.3	0	0	0	112
732	L	31.5	Very low	33.5	Very low	164 Å²	164	130.9 Å²	130.9	86%	0.859	76%	0.761	S	S	*	*			trans	-117.6	137.8	161.1	-69.7	177	0	0	0	109.3	A734	L732-A734 PolarHBondContact O-N 2.66Å
733	P	30.7	Very low	35	Very low	123 Å²	123	127.6 Å²	127.6	80%	0.799	74%	0.736	S	S	*	*			trans	-78.9	113.3	-175.9	30.4	-33.4	0	0	0	111.6
734	A	32.8	Very low	36.7	Very low	98 Å²	98	123.3 Å²	123.3	81%	0.81	72%	0.723	S	S	*	*			trans	-86.5	115	170.3	0	0	0	0	0	110.5	L732 N736	L732-A734 PolarHBondContact O-N 2.66Å; A734-N736 PolarHBondContact O-N 3.11Å; A734-N736 VanDerWaalsContact O-N 3.1Å
735	S	36.4	Very low	38.8	Very low	116 Å²	116	116.1 Å²	116.1	81%	0.811	69%	0.69	S	S	*	*			trans	-78.3	88.3	-177.2	-56.8	0	0	0	0	112.6
736	N	31.3	Very low	40.9	Very low	164 Å²	164	115.7 Å²	115.7	88%	0.877	68%	0.681	S	S	*	*			trans	-154.5	128.3	156.6	-99.1	-29.7	0	0	0	110.6	A734 C738	A734-N736 PolarHBondContact O-N 3.11Å; A734-N736 VanDerWaalsContact O-N 3.1Å; N736-C738 PolarHBondContact O-N 2.89Å
737	S	33.3	Very low	42.9	Very low	117 Å²	117	110.8 Å²	110.8	82%	0.818	65%	0.649	S	S	*	*			trans	-94.5	73.1	-157.9	63.5	0	0	0	0	115.1	R739	S737-R739 PolarHBondContact O-N 3.19Å
738	C	34.3	Very low	44.7	Very low	97 Å²	97	105.9 Å²	105.9	66%	0.655	63%	0.63	S	S	*	*			trans	-67.1	119.3	151.9	-70.9	0	0	0	0	108.4	N736 V740	N736-C738 PolarHBondContact O-N 2.89Å; C738-V740 VanDerWaalsContact C-N 3.3Å; C738-V740 PolarHBondContact O-N 2.89Å
739	R	32.3	Very low	46.6	Very low	244 Å²	244	103.9 Å²	103.9	92%	0.921	61%	0.608	S	S	*	*			trans	-73.2	84.3	175.1	-79.9	-168.7	176.8	-164.4	2	110.3	S737 V741	S737-R739 PolarHBondContact O-N 3.19Å; R739-V741 PolarHBondContact O-N 3.21Å
740	V	38	Very low	47.9	Very low	64 Å²	64	103.5 Å²	103.5	39%	0.388	60%	0.597	S	S	.	*			trans	-62.2	117.5	171	-176.2	0	0	0	0	109.1	T462 C738 K742	T462-V740 HydrophobicContact CG2-CG1 4.5Å; C738-V740 VanDerWaalsContact C-N 3.3Å; C738-V740 PolarHBondContact O-N 2.89Å; V740-K742 PolarHBondContact O-N 3.38Å
741	V	46.4	Very low	49	Very low	85 Å²	85	106.9 Å²	106.9	52%	0.515	59%	0.594	S	S	.	*			trans	-66.5	123.5	175.4	-176.5	0	0	0	0	108.3	R739 N743	R739-V741 PolarHBondContact O-N 3.21Å; V741-N743 VanDerWaalsContact C-N 3.35Å; V741-N743 WeakPolarHBondContact CG1-OD1 3.43Å; V741-N743 PolarHBondContact O-N 3.4Å
742	K	45.5	Very low	49.7	Very low	186 Å²	186	108.9 Å²	108.9	81%	0.809	59%	0.592	S	S	*	*			trans	-73.2	87.9	179	-73.4	-174.8	175.3	-178.7	0	110	V740 S744	V740-K742 PolarHBondContact O-N 3.38Å; K742-S744 PolarHBondContact O-N 3.47Å
743	N	57.2	Low	49.7	Very low	21 Å²	21	107.5 Å²	107.5	11%	0.112	59%	0.585	C	S	.	*			trans	-74.8	69.4	-176.7	-70.2	-24.5	0	0	0	111.9	I458 V741 I745	I458-N743 HydrophobicContact CG2-CB 4.45Å; V741-N743 VanDerWaalsContact C-N 3.35Å; V741-N743 WeakPolarHBondContact CG1-OD1 3.43Å; V741-N743 PolarHBondContact O-N 3.4Å; N743-I745 PolarHBondContact O-N 3.46Å
744	S	64.2	Low	49.8	Very low	83 Å²	83	108.1 Å²	108.1	58%	0.58	59%	0.587	S	S	*	*			trans	-75.7	118.4	-178.9	66.5	0	0	0	0	112.4	T455 K742	T455-S744 VanDerWaalsContact OG1-CA 3.25Å; T455-S744 WeakPolarHBondContact OG1-CA 3.44Å; K742-S744 PolarHBondContact O-N 3.47Å
745	I	76.1	Confident	49.7	Very low	14 Å²	14	109 Å²	109	7%	0.072	58%	0.582	C	S	.	*			trans	-121.6	94	-177.4	-73	168.7	0	0	0	108.8	L454 T455 I458 A483 H485 N743 L747	L454-I745 HydrophobicContact CB-CB 4.43Å; L454-I745 HydrophobicContact CB-CG2 4.04Å; L454-I745 HydrophobicContact CD1-CG2 4.45Å; L454-I745 PolarHBondContact N-O 3.25Å; T455-I745 PolarHBondContact OG1-N 2.83Å; I458-I745 HydrophobicContact CD1-CB 4.35Å; I458-I745 HydrophobicContact CD1-CD1 3.44Å; I458-I745 VanDerWaalsContact CD1-CD1 3.44Å; I458-I745 HydrophobicContact CD1-CG1 4.44Å; A483-I745 WeakPolarHBondContact O-CD1 3.32Å; H485-I745 HydrophobicContact CB-CD1 4.4Å; H485-I745 HydrophobicContact CB-CG1 4.48Å; H485-I745 HydrophobicContact CB-CG2 3.64Å; N743-I745 PolarHBondContact O-N 3.46Å; I745-L747 HydrophobicContact CG2-CD1 4.14Å; I745-L747 HydrophobicContact CG2-CD2 3.88Å; I745-L747 HydrophobicContact CG2-CG 3.97Å
746	K	77.8	Confident	49.5	Very low	156 Å²	156	108.1 Å²	108.1	68%	0.678	57%	0.574	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.5	124.2	178.5	-71.7	175.8	171.9	176.8	0	110	D453	D453-K746 HydrophobicContact CB-CG 4.27Å; D453-K746 WeakPolarHBondContact OD2-CE 3.12Å; D453-K746 IonicContact OD2-NZ 2.66Å
747	L	77.3	Confident	49.7	Very low	12 Å²	12	106.3 Å²	106.3	6%	0.063	57%	0.571	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.1	104.3	-163.9	-55.5	-178.3	0	0	0	111.7	F441 V450 N451 I452 L454 H485 I745 L749	F441-L747 HydrophobicContact CZ-CD1 3.78Å; V450-L747 VanDerWaalsContact O-O 3.07Å; N451-L747 WeakPolarHBondContact CA-O 3.4Å; I452-L747 HydrophobicContact CB-CB 4.4Å; I452-L747 PolarHBondContact N-O 3.16Å; I452-L747 WeakPolarHBondContact O-CB 3.49Å; I452-L747 PolarHBondContact O-N 3.32Å; L454-L747 HydrophobicContact CD1-CD1 3.77Å; L454-L747 HydrophobicContact CG-CD1 4.21Å; H485-L747 HydrophobicContact CB-CD2 3.99Å; H485-L747 VanDerWaalsContact CG-CD2 3.41Å; H485-L747 WeakPolarHBondContact ND1-CD2 3.45Å; I745-L747 HydrophobicContact CG2-CD1 4.14Å; I745-L747 HydrophobicContact CG2-CD2 3.88Å; I745-L747 HydrophobicContact CG2-CG 3.97Å; L747-L749 PolarHBondContact O-N 2.98Å
748	A	71.1	Confident	49.8	Very low	55 Å²	55	110 Å²	110	46%	0.455	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.3	111.7	167.8	0	0	0	0	0	110.7	N451	N451-A748 WeakPolarHBondContact OD1-CA 3.44Å; N451-A748 WeakPolarHBondContact OD1-CB 3.34Å
749	L	67.9	Low	49.9	Very low	41 Å²	41	110.6 Å²	110.6	22%	0.215	58%	0.575	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.4	94.6	172	-64.2	-169.5	0	0	0	110.6	F441 S449 V450 I452 L747	F441-L749 HydrophobicContact CB-CD1 3.86Å; F441-L749 HydrophobicContact CD1-CD1 4.39Å; F441-L749 HydrophobicContact CD2-CD1 3.56Å; F441-L749 HydrophobicContact CD2-CD2 4.23Å; F441-L749 HydrophobicContact CD2-CG 4.49Å; F441-L749 HydrophobicContact CE2-CD1 4.17Å; F441-L749 HydrophobicContact CE2-CD2 4.22Å; F441-L749 HydrophobicContact CG-CD1 3.68Å; S449-L749 VanDerWaalsContact CA-O 3.31Å; S449-L749 WeakPolarHBondContact CA-O 3.3Å; V450-L749 PolarHBondContact N-O 3.11Å; V450-L749 VanDerWaalsContact N-O 3.15Å; V450-L749 PolarHBondContact O-N 2.96Å; I452-L749 HydrophobicContact CD1-CD1 3.45Å; I452-L749 VanDerWaalsContact CD1-CD1 3.45Å; I452-L749 HydrophobicContact CD1-CG 4.11Å; I452-L749 HydrophobicContact CG1-CD1 4.44Å; L747-L749 PolarHBondContact O-N 2.98Å
750	N	60	Low	50	Low	101 Å²	101	104.3 Å²	104.3	54%	0.54	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.3	133.5	178.2	-62.8	11	0	0	0	111.6	S449 H752	S449-N750 WeakPolarHBondContact CB-OD1 3.27Å; N750-H752 PolarHBondContact O-N 2.87Å; N750-H752 PolarHBondContact O-ND1 3.42Å
751	R	51.9	Low	49.7	Very low	175 Å²	175	109.5 Å²	109.5	66%	0.66	59%	0.59	S	S	*	*			trans	-57.4	125.5	169.9	-171.4	173.9	-176.1	155.7	-1.1	109.5	E448 N753	E448-R751 WeakPolarHBondContact O-CB 3.37Å; E448-R751 PolarHBondContact O-N 3.01Å; R751-N753 PolarHBondContact O-N 2.63Å
752	H	47.5	Very low	48.9	Very low	170 Å²	170	114.9 Å²	114.9	79%	0.787	61%	0.607	S	S	*	*			trans	-81.2	111.8	171.3	-71.7	34.9	0	0	0	108	N750 V754	N750-H752 PolarHBondContact O-N 2.87Å; N750-H752 PolarHBondContact O-ND1 3.42Å; H752-V754 PolarHBondContact O-N 3.11Å
753	N	32.5	Very low	48.4	Very low	135 Å²	135	115.3 Å²	115.3	72%	0.722	61%	0.612	S	S	*	*			trans	-65.3	117.2	171.4	-77	-11.3	0	0	0	109.3	R751 T755	R751-N753 PolarHBondContact O-N 2.63Å; N753-T755 VanDerWaalsContact C-N 3.28Å; N753-T755 PolarHBondContact O-N 3.44Å; N753-T755 VanDerWaalsContact O-N 3.09Å
754	V	32.8	Very low	47.1	Very low	137 Å²	137	117.9 Å²	117.9	83%	0.83	64%	0.643	S	S	*	*			trans	-77.6	88.4	163.8	179.6	0	0	0	0	106.2	H752 P756	H752-V754 PolarHBondContact O-N 3.11Å; V754-P756 WeakPolarHBondContact O-CD 3.1Å
755	T	30.6	Very low	45.5	Very low	115 Å²	115	120.1 Å²	120.1	71%	0.706	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-59.4	121.4	171	-44.7	0	0	0	0	107.9	N753	N753-T755 VanDerWaalsContact C-N 3.28Å; N753-T755 PolarHBondContact O-N 3.44Å; N753-T755 VanDerWaalsContact O-N 3.09Å
756	P	32.8	Very low	43.2	Very low	99 Å²	99	126.4 Å²	126.4	64%	0.643	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-61.8	146.4	172.4	27.1	-33.6	0	0	0	109.1	V754 K758	V754-P756 WeakPolarHBondContact O-CD 3.1Å; P756-K758 PolarHBondContact O-N 2.94Å
757	P	34.1	Very low	40.9	Very low	125 Å²	125	126.4 Å²	126.4	81%	0.812	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-59.9	129.7	176.9	25.9	-33.4	0	0	0	109.4
758	K	35.7	Very low	39.1	Very low	194 Å²	194	130.8 Å²	130.8	84%	0.843	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-60	137.1	171.1	-73.1	-175.4	174.3	-175.7	0	108.8	P756	P756-K758 PolarHBondContact O-N 2.94Å
759	P	36.8	Very low	37.1	Very low	111 Å²	111	136 Å²	136	72%	0.721	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-61.3	150.4	165.8	28.7	-34.2	0	0	0	109.5	L761	P759-L761 PolarHBondContact O-N 2.7Å
760	P	34.3	Very low	35.3	Very low	112 Å²	112	138.1 Å²	138.1	73%	0.727	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-65.5	132.8	179.9	27.3	-33.9	0	0	0	110.8
761	L	30.7	Very low	33.9	Very low	173 Å²	173	138.5 Å²	138.5	91%	0.906	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-73.1	123.6	164.8	-78.9	161.1	0	0	0	108.4	P759	P759-L761 PolarHBondContact O-N 2.7Å
762	F	31.1	Very low	32.9	Very low	197 Å²	197	134.8 Å²	134.8	86%	0.864	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-95.2	123.3	160.7	-99.4	-92.5	0	0	0	108.2
763	E	34.1	Very low	32.1	Very low	195 Å²	195	131.2 Å²	131.2	91%	0.911	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-81.6	132.1	159.6	-69.5	-176.1	125.1	0	0	108.4
764	G	29.7	Very low	32.1	Very low	75 Å²	75	130.7 Å²	130.7	77%	0.773	80%	0.798	S	S	*	*			trans	-155.6	116.8	-177	0	0	0	0	0	110
765	T	30.1	Very low	32.1	Very low	131 Å²	131	132.6 Å²	132.6	80%	0.804	80%	0.798	S	S	*	*			trans	-85.4	139.5	-160.1	-44.2	0	0	0	0	113.7
766	L	29.6	Very low	32.2	Very low	145 Å²	145	134.1 Å²	134.1	76%	0.759	80%	0.797	S	S	*	*			trans	30.4	122.6	155.9	-62.4	169.8	0	0	0	120
767	N	28.9	Very low	32.1	Very low	156 Å²	156	137.6 Å²	137.6	83%	0.834	80%	0.802	S	S	*	*				-164	150.6	98.6	-116	2	0	0	0	112.5
768	P	38.7	Very low	31.9	Very low	105 Å²	105	134.9 Å²	134.9	68%	0.682	80%	0.797	S	S	*	*			trans	-102.6	140.6	172.6	36.3	-28.6	0	0	0	112.5
769	D	30.1	Very low	31.6	Very low	163 Å²	163	134.3 Å²	134.3	87%	0.872	80%	0.799	S	S	*	*			trans	-164.4	155.8	144.5	-131.8	-30.4	0	0	0	115.3
770	A	30.1	Very low	31.2	Very low	86 Å²	86	133.7 Å²	133.7	71%	0.711	80%	0.797	S	S	*	*			trans	63.1	146	154.2	0	0	0	0	0	124.4
771	A	30.6	Very low	31.1	Very low	109 Å²	109	135.4 Å²	135.4	90%	0.901	80%	0.799	S	S	*	*			trans	76.8	122.7	154.8	0	0	0	0	0	120
772	A	30.2	Very low	31.7	Very low	98 Å²	98	133.5 Å²	133.5	81%	0.81	80%	0.797	S	S	*	*			trans	-120.9	170.4	-172.2	0	0	0	0	0	113.8
773	A	31.3	Very low	31.7	Very low	94 Å²	94	130 Å²	130	78%	0.777	79%	0.792	S	S	*	*			trans	67.2	120.2	151.9	0	0	0	0	0	120.4
774	S	32.1	Very low	31.5	Very low	124 Å²	124	129 Å²	129	87%	0.867	79%	0.79	S	S	*	*				-159.8	150.1	104.4	7	0	0	0	0	111.7
775	E	31.8	Very low	31.4	Very low	178 Å²	178	128.5 Å²	128.5	83%	0.832	79%	0.786	S	S	*	*			trans	-81.3	170.5	165.4	-60.7	175.7	101.3	0	0	108.5
776	E	33.2	Very low	31.4	Very low	146 Å²	146	127.5 Å²	127.5	68%	0.682	78%	0.784	S	S	*	*			cis	-162.2	-174.9	47.1	-118.5	-157	134.5	0	0	115.1
777	K	31.7	Very low	31.4	Very low	173 Å²	173	128.6 Å²	128.6	75%	0.752	78%	0.782	S	S	*	*			trans	-51.6	164.8	170.8	-50.8	135.6	-162.9	159.5	0	112.5
778	G	28.8	Very low	31.5	Very low	68 Å²	68	129.6 Å²	129.6	70%	0.701	78%	0.782	S	S	*	*			cis	151.5	179.9	-0.2	0	0	0	0	0	112.3
779	M	29.5	Very low	31	Very low	181 Å²	181	129.1 Å²	129.1	89%	0.892	79%	0.787	S	S	*	*			trans	65.7	106.9	163.7	-102.3	57.8	-178.1	0	0	122.3
780	S	29.1	Very low	31.1	Very low	98 Å²	98	125.9 Å²	125.9	69%	0.685	78%	0.782	S	S	*	*				59.6	113.9	125.9	61.7	0	0	0	0	124.2
781	I	32.6	Very low	31.6	Very low	149 Å²	149	127.1 Å²	127.1	76%	0.764	78%	0.783	S	S	*	*			trans	5.7	140.1	132.8	-13.3	178.5	0	0	0	119	V783	I781-V783 HydrophobicContact CG2-CG2 4.3Å
782	P	42.6	Very low	31.6	Very low	133 Å²	133	131.6 Å²	131.6	86%	0.864	78%	0.783	S	S	*	*				-131.7	175.8	109.1	13.7	7.5	0	0	0	115.4
783	V	30.4	Very low	31.6	Very low	124 Å²	124	136 Å²	136	75%	0.752	79%	0.786	S	S	*	*			trans	-109.4	154.1	-169.5	171.9	0	0	0	0	112	I781	I781-V783 HydrophobicContact CG2-CG2 4.3Å
784	I	30.2	Very low	31.5	Very low	173 Å²	173	138.7 Å²	138.7	89%	0.887	79%	0.793	S	S	*	*			trans	148.3	142.5	157	-80.3	153	0	0	0	107.9
785	G	28	Very low	31.5	Very low	65 Å²	65	137.2 Å²	137.2	67%	0.67	79%	0.788	S	S	*	*			cis	158.2	149.3	-8.9	0	0	0	0	0	112.9
786	S	29.8	Very low	32	Very low	109 Å²	109	134.8 Å²	134.8	76%	0.762	79%	0.788	S	S	*	*			trans	81.2	111.3	169.5	-69.6	0	0	0	0	122.6
787	K	30.3	Very low	32.6	Very low	169 Å²	169	134 Å²	134	74%	0.735	80%	0.796	S	S	*	*				87	124.3	116.8	-74.6	-179.3	177.4	-178.1	0	123.7
788	H	29.5	Very low	32.7	Very low	176 Å²	176	133 Å²	133	82%	0.815	80%	0.803	S	S	*	*			trans	66.2	146.5	150.4	-55.4	-52.9	0	0	0	117.9
789	A	28.7	Very low	32.7	Very low	96 Å²	96	133.1 Å²	133.1	79%	0.793	81%	0.805	S	S	*	*			cis	-139	166.7	-0	0	0	0	0	0	111.9
790	A	31.6	Very low	32.7	Very low	94 Å²	94	130.5 Å²	130.5	78%	0.777	80%	0.804	S	S	*	*			trans	-88.2	174	173.7	0	0	0	0	0	111.6
791	P	42.3	Very low	32.8	Very low	113 Å²	113	131.6 Å²	131.6	73%	0.734	81%	0.812	S	S	*	*				-153.6	176.8	82.1	43.5	-25.5	0	0	0	117.5
792	K	29.1	Very low	32.7	Very low	203 Å²	203	132.5 Å²	132.5	88%	0.883	82%	0.816	S	S	*	*			trans	75.4	93.2	162.1	-59.4	-172.1	-178.3	180	0	119.4
793	H	31.5	Very low	32.5	Very low	191 Å²	191	131.3 Å²	131.3	88%	0.884	81%	0.809	S	S	*	*			trans	-73.8	153.6	144.3	-77.6	-94.9	0	0	0	111.2
794	T	28.7	Very low	32.4	Very low	149 Å²	149	131.9 Å²	131.9	91%	0.914	81%	0.813	S	S	*	*			trans	-154.6	126.2	142.5	9.6	0	0	0	0	110.5
795	A	31.9	Very low	32.4	Very low	93 Å²	93	131.2 Å²	131.2	77%	0.769	81%	0.81	S	S	*	*			trans	-149.6	131.4	168.4	0	0	0	0	0	108.9
796	P	42.4	Very low	32.4	Very low	127 Å²	127	133.7 Å²	133.7	83%	0.825	81%	0.812	S	S	*	*			trans	-91.7	152.6	-177.9	35.2	-34.2	0	0	0	113.1
797	P	45.6	Very low	32.4	Very low	131 Å²	131	133.8 Å²	133.8	85%	0.851	81%	0.813	S	S	*	*			trans	-96.5	-178.1	-179.9	38.9	-36.6	0	0	0	114.7
798	V	34.9	Very low	32.3	Very low	151 Å²	151	137.1 Å²	137.1	92%	0.915	82%	0.82	S	S	*	*			trans	-65.8	146.1	-175.1	176.7	0	0	0	0	114.6
799	G	29	Very low	32.3	Very low	71 Å²	71	135.6 Å²	135.6	73%	0.732	82%	0.823	S	S	*	*			trans	137.9	131.3	137.9	0	0	0	0	0	117.8
800	S	29.1	Very low	32.4	Very low	125 Å²	125	134.3 Å²	134.3	87%	0.874	81%	0.813	S	S	*	*			trans	-153.7	135.5	148.5	55.5	0	0	0	0	110.4
801	S	31	Very low	32.4	Very low	121 Å²	121	137 Å²	137	85%	0.846	81%	0.814	S	S	*	*			trans	-115.6	146.2	178.5	-62	0	0	0	0	109.6
802	I	31.2	Very low	32.5	Very low	168 Å²	168	136.4 Å²	136.4	86%	0.862	81%	0.81	S	S	*	*			trans	-76	134.1	177.3	-62.6	178	0	0	0	109.2
803	P	36.7	Very low	32.7	Very low	108 Å²	108	134.1 Å²	134.1	70%	0.701	81%	0.807	S	S	*	*			trans	-86	141.8	-165	32.3	-36.2	0	0	0	114.7
804	T	28.5	Very low	32.6	Very low	136 Å²	136	133.2 Å²	133.2	83%	0.834	81%	0.809	S	S	*	*			trans	-82.4	112.5	167.8	-53.3	0	0	0	0	110	V806	T804-V806 HydrophobicContact CG2-CG2 4.41Å
805	L	30.1	Very low	32.6	Very low	159 Å²	159	129.6 Å²	129.6	83%	0.832	80%	0.801	S	S	*	*			trans	-96.5	110.4	176.7	-109.7	165.3	0	0	0	111
806	V	29.5	Very low	32.5	Very low	118 Å²	118	130.2 Å²	130.2	72%	0.715	81%	0.806	S	S	*	*			trans	-115.2	105.8	166.2	177.3	0	0	0	0	107.8	T804	T804-V806 HydrophobicContact CG2-CG2 4.41Å
807	S	27.7	Very low	32.1	Very low	111 Å²	111	131.3 Å²	131.3	78%	0.776	81%	0.81	S	S	*	*			trans	-80.7	127.4	172.8	43.7	0	0	0	0	110.7
808	R	29.7	Very low	31.4	Very low	238 Å²	238	130.9 Å²	130.9	90%	0.898	81%	0.811	S	S	*	*			trans	-123.3	137.6	157.5	-81.6	-172.3	172.6	-176.6	-2.2	108.3
809	V	29.1	Very low	31.4	Very low	144 Å²	144	133.3 Å²	133.3	87%	0.873	81%	0.809	S	S	*	*			trans	-88.9	138	177.9	173	0	0	0	0	108.7
810	A	30	Very low	31.6	Very low	70 Å²	70	141 Å²	141	58%	0.579	82%	0.816	S	S	*	*			trans	-96.3	153.2	161.5	0	0	0	0	0	107.7
811	D	31.3	Very low	31.9	Very low	150 Å²	150	140.8 Å²	140.8	80%	0.802	81%	0.811	S	S	*	*				-168.9	-172.4	51.2	-97.8	-50.5	0	0	0	108.3
812	P	46.3	Very low	32.3	Very low	100 Å²	100	143.9 Å²	143.9	65%	0.649	81%	0.812	S	S	*	*			cis	-134.1	-165.9	-47.9	39.7	-23.1	0	0	0	112.3
813	L	31.3	Very low	33.1	Very low	155 Å²	155	140.9 Å²	140.9	81%	0.812	81%	0.806	S	S	*	*			trans	60.4	96.1	157.9	-62.8	172.1	0	0	0	119.7
814	N	30.2	Very low	33.8	Very low	172 Å²	172	138.8 Å²	138.8	92%	0.92	79%	0.793	S	S	*	*				-169.8	159.5	96.1	-119.9	-32.8	0	0	0	112.1
815	G	29.7	Very low	35.5	Very low	73 Å²	73	135.3 Å²	135.3	75%	0.753	77%	0.773	S	S	*	*			trans	-107.5	143.5	-167.7	0	0	0	0	0	116.3
816	A	29.8	Very low	36.9	Very low	106 Å²	106	133.4 Å²	133.4	88%	0.876	77%	0.768	S	S	*	*			trans	-149	131.4	158.1	0	0	0	0	0	109.8
817	T	33.3	Very low	38.2	Very low	150 Å²	150	135.4 Å²	135.4	92%	0.92	77%	0.77	S	S	*	*			trans	-87.7	135.5	-175.9	52	0	0	0	0	112.5
818	S	31.2	Very low	39.5	Very low	122 Å²	122	134 Å²	134	85%	0.853	75%	0.751	S	S	*	*			trans	-135.7	148.6	161.5	-168	0	0	0	0	111.3
819	K	34.9	Very low	41	Very low	203 Å²	203	127.9 Å²	127.9	88%	0.883	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-87.5	134.9	-166.4	-65.8	176.4	179.9	176.5	0	111.7
820	R	33	Very low	42.6	Very low	233 Å²	233	123.4 Å²	123.4	88%	0.879	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-86.1	132.8	168.3	-147.5	179.9	-160.4	-178.6	5.2	108.8
821	P	34.3	Very low	44.2	Very low	119 Å²	119	126.5 Å²	126.5	77%	0.773	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-68.4	145.5	171.4	28.6	-33.4	0	0	0	110.4
822	H	39.7	Very low	45.6	Very low	187 Å²	187	126.5 Å²	126.5	87%	0.866	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-72.4	145.3	175.6	-77.3	-98.2	0	0	0	111.4
823	S	47.9	Very low	46.2	Very low	105 Å²	105	127.3 Å²	127.3	73%	0.734	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-68.5	140.4	164.6	49.4	0	0	0	0	110.6
824	P	51.2	Low	47.6	Very low	64 Å²	64	127.6 Å²	127.6	42%	0.416	69%	0.693	S	S	.	*	P	Polyproline II helix	trans	-64.9	156.5	178.4	28.5	-35.8	0	0	0	111.9	E828	P824-E828 HydrophobicContact CB-CB 4.34Å; P824-E828 VanDerWaalsContact CB-OE2 3.22Å; P824-E828 WeakPolarHBondContact CB-OE2 3.32Å
825	S	66.1	Low	48.9	Very low	62 Å²	62	124.9 Å²	124.9	43%	0.434	67%	0.674	S	S	.	*	P	Polyproline II helix	trans	-73	161.9	-177	77.9	0	0	0	0	112.7	E827 E828 Q829	S825-E827 PolarHBondContact O-N 2.77Å; S825-E828 PolarHBondContact O-N 2.81Å; S825-E828 VanDerWaalsContact O-N 3.11Å; S825-E828 PolarHBondContact OG-N 3.25Å; S825-Q829 PolarHBondContact O-N 3.15Å; S825-Q829 VanDerWaalsContact O-N 3.16Å
826	V	58.1	Low	50.2	Low	120 Å²	120	125.3 Å²	125.3	73%	0.727	66%	0.663	S	S	*	*	H	α-helix	trans	-60.3	-32.9	177.6	-178.4	0	0	0	0	111.7	Q829 A830	V826-Q829 PolarHBondContact O-N 3.49Å; V826-A830 WeakPolarHBondContact O-CB 3.37Å; V826-A830 PolarHBondContact O-N 3.33Å
827	E	57.3	Low	51.1	Low	160 Å²	160	125.2 Å²	125.2	75%	0.748	64%	0.644	S	S	*	*	H	α-helix	trans	-68.4	-36.8	175.5	-65.9	-179.5	110.2	0	0	112.5	S825 Q829 A830 K831	S825-E827 PolarHBondContact O-N 2.77Å; E827-Q829 VanDerWaalsContact C-N 3.35Å; E827-A830 PolarHBondContact O-N 3.35Å; E827-K831 WeakPolarHBondContact O-CB 3.44Å; E827-K831 PolarHBondContact O-N 2.95Å
828	E	55.3	Low	51.7	Low	82 Å²	82	126.1 Å²	126.1	38%	0.383	64%	0.635	S	S	.	*	H	α-helix	trans	-68.4	-36.9	176.2	-159.4	-169.6	150.5	0	0	111.3	P824 S825 K831 R832	P824-E828 HydrophobicContact CB-CB 4.34Å; P824-E828 VanDerWaalsContact CB-OE2 3.22Å; P824-E828 WeakPolarHBondContact CB-OE2 3.32Å; S825-E828 PolarHBondContact O-N 2.81Å; S825-E828 VanDerWaalsContact O-N 3.11Å; S825-E828 PolarHBondContact OG-N 3.25Å; E828-K831 PolarHBondContact O-N 2.85Å; E828-R832 WeakPolarHBondContact O-CG 3.41Å; E828-R832 PolarHBondContact O-N 2.91Å; E828-R832 VanDerWaalsContact O-N 3.16Å; E828-R832 IonicContact OE1-CZ 2.84Å; E828-R832 IonicContact OE1-NE 3.74Å; E828-R832 IonicContact OE1-NH2 3.78Å; E828-R832 PolarHBondContact OE1-NH2 2.96Å
829	Q	60.1	Low	52.3	Low	109 Å²	109	123.3 Å²	123.3	51%	0.509	62%	0.619	S	S	.	*	H	α-helix	trans	-65	-44.1	171.7	-64.3	-177.6	1.8	0	0	111.7	S825 V826 E827 K831 R832 L833	S825-Q829 PolarHBondContact O-N 3.15Å; S825-Q829 VanDerWaalsContact O-N 3.16Å; V826-Q829 PolarHBondContact O-N 3.49Å; E827-Q829 VanDerWaalsContact C-N 3.35Å; Q829-K831 VanDerWaalsContact C-N 3.3Å; Q829-K831 PolarHBondContact O-N 2.62Å; Q829-R832 PolarHBondContact O-N 2.91Å; Q829-L833 PolarHBondContact O-N 3.37Å; Q829-L833 VanDerWaalsContact O-N 3.1Å
830	A	63.1	Low	52.7	Low	49 Å²	49	122.4 Å²	122.4	41%	0.405	61%	0.611	S	S	.	*	H	α-helix	trans	-64	-33	176.4	0	0	0	0	0	112.9	V826 E827 K834	V826-A830 WeakPolarHBondContact O-CB 3.37Å; V826-A830 PolarHBondContact O-N 3.33Å; E827-A830 PolarHBondContact O-N 3.35Å; A830-K834 PolarHBondContact O-N 2.91Å
831	K	63.8	Low	53.4	Low	136 Å²	136	117.4 Å²	117.4	59%	0.591	60%	0.6	S	S	*	*	H	α-helix	trans	-67.5	-46.7	175.2	-168	178.7	178.8	-174.1	0	111.7	E827 E828 Q829 L833 K834 E835	E827-K831 WeakPolarHBondContact O-CB 3.44Å; E827-K831 PolarHBondContact O-N 2.95Å; E828-K831 PolarHBondContact O-N 2.85Å; Q829-K831 VanDerWaalsContact C-N 3.3Å; Q829-K831 PolarHBondContact O-N 2.62Å; K831-L833 VanDerWaalsContact C-N 3.31Å; K831-L833 PolarHBondContact O-N 3.27Å; K831-K834 PolarHBondContact O-N 3.34Å; K831-K834 VanDerWaalsContact O-N 3.14Å; K831-E835 PolarHBondContact O-N 3.1Å; K831-E835 VanDerWaalsContact O-N 3.11Å
832	R	61.8	Low	53.9	Low	149 Å²	149	120 Å²	120	56%	0.562	60%	0.601	S	S	*	*	H	α-helix	trans	-60.6	-39.6	176.5	-68.4	-178.9	-167.6	-157.1	4.6	112.2	E828 Q829 K834 E835 T836	E828-R832 WeakPolarHBondContact O-CG 3.41Å; E828-R832 PolarHBondContact O-N 2.91Å; E828-R832 VanDerWaalsContact O-N 3.16Å; E828-R832 IonicContact OE1-CZ 2.84Å; E828-R832 IonicContact OE1-NE 3.74Å; E828-R832 IonicContact OE1-NH2 3.78Å; E828-R832 PolarHBondContact OE1-NH2 2.96Å; Q829-R832 PolarHBondContact O-N 2.91Å; R832-K834 VanDerWaalsContact C-N 3.34Å; R832-K834 PolarHBondContact O-N 3.12Å; R832-E835 PolarHBondContact O-N 3.46Å; R832-T836 PolarHBondContact O-N 3.35Å; R832-T836 PolarHBondContact O-OG1 3Å
833	L	57.3	Low	54.3	Low	118 Å²	118	118.6 Å²	118.6	62%	0.618	60%	0.598	S	S	*	*	H	α-helix	trans	-58.1	-42	173.8	-95.3	156.9	0	0	0	112.7	Q829 K831 T836 E837	Q829-L833 PolarHBondContact O-N 3.37Å; Q829-L833 VanDerWaalsContact O-N 3.1Å; K831-L833 VanDerWaalsContact C-N 3.31Å; K831-L833 PolarHBondContact O-N 3.27Å; L833-T836 WeakPolarHBondContact CA-OG1 3.4Å; L833-T836 PolarHBondContact O-N 2.97Å; L833-T836 PolarHBondContact O-OG1 2.7Å; L833-E837 PolarHBondContact O-N 2.68Å
834	K	61.4	Low	53.8	Low	161 Å²	161	121.5 Å²	121.5	70%	0.7	63%	0.629	S	S	*	*	H	α-helix	trans	-69.6	-30.2	176	-73.8	-177.2	175.9	179.9	0	113.5	A830 K831 R832 K838	A830-K834 PolarHBondContact O-N 2.91Å; K831-K834 PolarHBondContact O-N 3.34Å; K831-K834 VanDerWaalsContact O-N 3.14Å; R832-K834 VanDerWaalsContact C-N 3.34Å; R832-K834 PolarHBondContact O-N 3.12Å; K834-K838 PolarHBondContact O-N 3.17Å
835	E	58.4	Low	54	Low	114 Å²	114	124.4 Å²	124.4	53%	0.533	64%	0.639	S	S	.	*	H	α-helix	trans	-72.2	-40.2	173.8	-73	170.4	164.8	0	0	111.6	K831 R832 E837 K838 A839	K831-E835 PolarHBondContact O-N 3.1Å; K831-E835 VanDerWaalsContact O-N 3.11Å; R832-E835 PolarHBondContact O-N 3.46Å; E835-E837 VanDerWaalsContact C-N 3.35Å; E835-E837 PolarHBondContact O-N 3.21Å; E835-K838 PolarHBondContact O-N 3.37Å; E835-A839 PolarHBondContact O-N 2.98Å; E835-A839 VanDerWaalsContact O-N 3.07Å
836	T	56.1	Low	53.3	Low	82 Å²	82	127.6 Å²	127.6	50%	0.503	65%	0.65	S	S	.	*	H	α-helix	trans	-66	-33.8	173.4	48.4	0	0	0	0	113.4	R832 L833 A839 R840	R832-T836 PolarHBondContact O-N 3.35Å; R832-T836 PolarHBondContact O-OG1 3Å; L833-T836 WeakPolarHBondContact CA-OG1 3.4Å; L833-T836 PolarHBondContact O-N 2.97Å; L833-T836 PolarHBondContact O-OG1 2.7Å; T836-A839 PolarHBondContact O-N 3.29Å; T836-R840 PolarHBondContact O-N 3.41Å
837	E	49.2	Very low	53	Low	105 Å²	105	128.1 Å²	128.1	49%	0.491	65%	0.646	S	S	.	*	H	α-helix	trans	-69.4	-39.7	176.1	-151.1	62.9	-156.5	0	0	111.3	L833 E835 A839 R840	L833-E837 PolarHBondContact O-N 2.68Å; E835-E837 VanDerWaalsContact C-N 3.35Å; E835-E837 PolarHBondContact O-N 3.21Å; E837-A839 VanDerWaalsContact C-N 3.33Å; E837-A839 PolarHBondContact O-N 3.02Å; E837-R840 PolarHBondContact O-N 3.28Å
838	K	44.8	Very low	52.8	Low	168 Å²	168	126.2 Å²	126.2	73%	0.73	64%	0.64	S	S	*	*	H	α-helix	trans	-61.8	-38.4	172.6	-105	-170.8	172.2	-170.6	0	112.8	K834 E835 R840 I841	K834-K838 PolarHBondContact O-N 3.17Å; E835-K838 PolarHBondContact O-N 3.37Å; K838-R840 VanDerWaalsContact C-N 3.27Å; K838-R840 PolarHBondContact O-N 2.8Å; K838-I841 PolarHBondContact O-N 2.89Å
839	A	45	Very low	52.6	Low	63 Å²	63	128.9 Å²	128.9	52%	0.521	66%	0.656	S	S	.	*	H	α-helix	trans	-63.7	-31.2	178.3	0	0	0	0	0	113	E835 T836 E837 I841	E835-A839 PolarHBondContact O-N 2.98Å; E835-A839 VanDerWaalsContact O-N 3.07Å; T836-A839 PolarHBondContact O-N 3.29Å; E837-A839 VanDerWaalsContact C-N 3.33Å; E837-A839 PolarHBondContact O-N 3.02Å; A839-I841 VanDerWaalsContact C-N 3.3Å; A839-I841 PolarHBondContact O-N 3.04Å
840	R	42.5	Very low	52.1	Low	185 Å²	185	130.3 Å²	130.3	70%	0.698	67%	0.666	S	S	*	*	H	α-helix	trans	-70.8	-20.5	176.1	-82.3	-179.7	164.8	161.1	-4.7	114.6	T836 E837 K838 H842	T836-R840 PolarHBondContact O-N 3.41Å; E837-R840 PolarHBondContact O-N 3.28Å; K838-R840 VanDerWaalsContact C-N 3.27Å; K838-R840 PolarHBondContact O-N 2.8Å; R840-H842 VanDerWaalsContact C-N 3.28Å; R840-H842 PolarHBondContact O-N 3.1Å
841	I	47.7	Very low	51.4	Low	127 Å²	127	136.1 Å²	136.1	65%	0.651	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	7.7	-177.3	-59	170.1	0	0	0	111.5	K838 A839	K838-I841 PolarHBondContact O-N 2.89Å; A839-I841 VanDerWaalsContact C-N 3.3Å; A839-I841 PolarHBondContact O-N 3.04Å
842	H	45.2	Very low	50.4	Low	174 Å²	174	136.1 Å²	136.1	81%	0.806	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.6	10.8	173.1	-92.2	25.4	0	0	0	114.1	R840	R840-H842 VanDerWaalsContact C-N 3.28Å; R840-H842 PolarHBondContact O-N 3.1Å
843	I	47.1	Very low	49.5	Very low	157 Å²	157	135 Å²	135	81%	0.805	70%	0.702	S	S	*	*			trans	-135.9	71.9	169.2	-49.6	-179.4	0	0	0	108.3
844	A	38.8	Very low	48.7	Very low	166 Å²	166	136.5 Å²	136.5	100%	1.372	71%	0.71	S	S	*	*			trans	-152.5	0	172.6	0	0	0	0	0	108.8

Retrieved 844 of 844 residues in 1212 ms (Link to these results)

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