A0A3Q0KL97_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KL97, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,181 aa.

						>A0A3Q0KL97_SCHMA|A0A3Q0KL97
MLKIDDHMTHELNDTFQDVSVSDIEDRNSASHSRQNLAGGTGVFANFFEEMAEPLSYQSSNLMDERQSTKCKQDCRTQTRSNEVNEGSSSMLRDEISPMEAFYGDNADDDLKILERYRMLVNSYSDSKPCRNDESQLRQLSHDDTLKRGGLPYGVTEYNPTDLSSQLCMSYIHRSKPPKVLANRFLLGSTIGRGSYGKVKDSIDLFTLRRHAVKIISKLGVRKIPGGWSQALHEASLMRRLSACRHVVSLVVVLRLENPDRLCLVMEHCLGSVHDLQASGVPSHTALSSENEFELDEFNAKSSSSQLPYFKHQHGQSSDAVLNENNSKDKGKNADSSEKLNKSRRFHPRLSIGSTQINQETDTKFDKSKSRKTSSIEQPRRKGTSSQQQQQFRRLPEAQAHAYFLQLIDGLHFLHRNGVIHRDIKPANLLLTPAPGCGLSGFGSPNGTMDLPDHNWLCSTGSQSAFCQRSLANLLALSRGWLVKLTDFGVSASISAFSTNDMVSGGQTTPAVQPPEVAKGVQSIFDGTKLDVYSAGVTLYFMLTGHVPFSCQNVLQIFEAIVKGDYTIPGYVSTNASDLIRKMMQKDPKKRLTLLQIRQQTWYIQDPPTPMPVESIKMKLRNELLHSQQLSNNESPTHTLFNSHKQQQQQQRGIICWLDPLIYLRRCHSEYPLPHIDDTGARIFNMDEIFNNSLNHTFTNSNDNDVQTSLSNMIINDKDEHLSNNHDDIAPISVIDRLKVFHDLDDYEEYSRPEDMSSFYYSPEACLQYSNVEKHLANLGIGSRLESDSTVINYPYVFNNVSMNYLHSASPIHLADESSRRSENICHPIDDVPYNVDNNNNNNNNNNQLNCYVLPSDQQQLTTHQFKQEKSLKSQMTPQPYWCLDLGVPVYEAINNMNDISEPPACPEDLPISIPSNYRLSKFAINPNVTNRTGSLPGPIAFIPSDLNIPQQIQNNINLNDNDERLNQKTWHYGSRPISNISKDLLKFTSSKQRHHDHQEPTKITTKDPDQISHNNNCNTNFDPTHINSTVNKQEQFVKTDYHSNRLNQWFSNPFNSFRNRIRSIRFKKDTSNHSQTITTTTTTNNNNNNNNNSNNKNGIRCYSPVVSTSTSTSSSSNTVYYRNVNSATELTSTIEVTPSSSPKIQIDDNSIKSTGTLPRARNRLKPCSRIFSRKKITGKK
					

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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	24.8	Very low	32.9	Very low	230 Å²	230	130.1 Å²	130.1	100%	1.133	65%	0.646	S	S	*	*				0	91.9	0	-67.9	159.9	63.8	0	0	106.2
2	L	24.3	Very low	33	Very low	174 Å²	174	124.4 Å²	124.4	91%	0.911	62%	0.62	S	S	*	*			cis	65.6	56.6	27.5	-60.5	175.2	0	0	0	114
3	K	26.2	Very low	33.1	Very low	179 Å²	179	122.2 Å²	122.2	78%	0.778	61%	0.611	S	S	*	*			trans	-166.4	111.9	137.2	-103.4	-177.3	179.3	-165.5	0	107.6
4	I	31.5	Very low	33.4	Very low	140 Å²	140	120.9 Å²	120.9	72%	0.718	61%	0.608	S	S	*	*			trans	-112.4	123.7	168.7	-62.4	173.7	0	0	0	103.7
5	D	36.3	Very low	33.7	Very low	110 Å²	110	118.2 Å²	118.2	59%	0.588	60%	0.6	S	S	*	*			trans	-90.6	114.9	-173.9	-76	-54.9	0	0	0	111	H7	D5-H7 PolarHBondContact O-N 3.04Å
6	D	37	Very low	33.7	Very low	115 Å²	115	117.3 Å²	117.3	62%	0.615	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	5.8	-176.1	-63.1	-65.7	0	0	0	115.5	M8 T9 H10	D6-M8 VanDerWaalsContact C-N 3.31Å; D6-M8 PolarHBondContact O-N 2.78Å; D6-T9 PolarHBondContact O-N 2.88Å; D6-T9 PolarHBondContact O-OG1 2.74Å; D6-T9 VanDerWaalsContact O-OG1 3.09Å; D6-H10 PolarHBondContact O-N 3.05Å
7	H	36.7	Very low	33.6	Very low	156 Å²	156	119.3 Å²	119.3	72%	0.722	60%	0.598	S	S	*	*	H	α-helix	trans	-73.4	-20.1	-162.4	-148.8	-41.6	0	0	0	114.3	D5	D5-H7 PolarHBondContact O-N 3.04Å
8	M	33.4	Very low	33.5	Very low	63 Å²	63	120.8 Å²	120.8	31%	0.31	61%	0.608	S	S	.	*	H	α-helix	trans	-94.6	-30.5	176.5	-85.2	-80.3	-75.8	0	0	113.1	D6 H10 L12 R255	D6-M8 VanDerWaalsContact C-N 3.31Å; D6-M8 PolarHBondContact O-N 2.78Å; M8-H10 VanDerWaalsContact C-N 3.3Å; M8-L12 PolarHBondContact O-N 3.46Å; M8-R255 HydrophobicContact CE-CG 4.44Å; M8-R255 PolarHBondContact SD-NH1 3.37Å
9	T	37.7	Very low	33.3	Very low	73 Å²	73	122.1 Å²	122.1	45%	0.448	62%	0.622	S	S	.	*	H	α-helix	trans	-66.2	-34.7	174.5	8.8	0	0	0	0	110.9	D6 N13	D6-T9 PolarHBondContact O-N 2.88Å; D6-T9 PolarHBondContact O-OG1 2.74Å; D6-T9 VanDerWaalsContact O-OG1 3.09Å; T9-N13 VanDerWaalsContact O-CB 3.28Å; T9-N13 WeakPolarHBondContact O-CB 3.29Å; T9-N13 VanDerWaalsContact O-CG 3.22Å; T9-N13 PolarHBondContact O-N 3.1Å; T9-N13 PolarHBondContact O-ND2 3.43Å
10	H	35.3	Very low	33.1	Very low	116 Å²	116	119.8 Å²	119.8	54%	0.537	62%	0.617	S	S	.	*	H	α-helix	trans	-67.9	-51.9	171.2	-104	-70.8	0	0	0	113.7	D6 M8 L12 N13 D14	D6-H10 PolarHBondContact O-N 3.05Å; M8-H10 VanDerWaalsContact C-N 3.3Å; H10-L12 PolarHBondContact O-N 3.33Å; H10-N13 PolarHBondContact O-N 3.27Å; H10-N13 VanDerWaalsContact O-N 3.16Å; H10-D14 IonicContact CE1-OD1 2.67Å; H10-D14 IonicContact ND1-OD1 2.77Å; H10-D14 PolarHBondContact ND1-OD1 2.99Å; H10-D14 VanDerWaalsContact ND1-OD1 3.14Å; H10-D14 IonicContact ND1-OD2 3.13Å; H10-D14 WeakPolarHBondContact O-CB 3.25Å; H10-D14 PolarHBondContact O-N 3.42Å
11	E	38.3	Very low	32.9	Very low	75 Å²	75	121 Å²	121	35%	0.35	63%	0.63	S	S	.	*	H	α-helix	trans	-52.3	-34.3	177	-84	-162.5	150	0	0	111.8	T15 R255	E11-T15 PolarHBondContact O-OG1 2.93Å; E11-R255 IonicContact OE2-NH1 2.67Å; E11-R255 PolarHBondContact OE2-NH1 2.76Å; E11-R255 IonicContact OE2-NH2 2.66Å
12	L	35	Very low	33.1	Very low	62 Å²	62	113.9 Å²	113.9	33%	0.325	60%	0.603	S	S	.	*	H	α-helix	trans	-79.7	-49.1	177.1	-70.9	170.3	0	0	0	113.2	M8 H10 D14 T15 F16	M8-L12 PolarHBondContact O-N 3.46Å; H10-L12 PolarHBondContact O-N 3.33Å; L12-D14 VanDerWaalsContact C-N 3.34Å; L12-D14 PolarHBondContact O-N 2.99Å; L12-T15 WeakPolarHBondContact O-CA 3.41Å; L12-T15 WeakPolarHBondContact O-CB 3.37Å; L12-T15 PolarHBondContact O-N 3.42Å; L12-F16 WeakPolarHBondContact O-CD2 3.3Å; L12-F16 PolarHBondContact O-N 3.29Å
13	N	34.5	Very low	33.3	Very low	96 Å²	96	112 Å²	112	51%	0.513	59%	0.594	S	S	.	*	H	α-helix	trans	-65.5	-36.1	-178.5	-73.8	-13.8	0	0	0	112.5	T9 H10 T15 F16 Q17	T9-N13 VanDerWaalsContact O-CB 3.28Å; T9-N13 WeakPolarHBondContact O-CB 3.29Å; T9-N13 VanDerWaalsContact O-CG 3.22Å; T9-N13 PolarHBondContact O-N 3.1Å; T9-N13 PolarHBondContact O-ND2 3.43Å; H10-N13 PolarHBondContact O-N 3.27Å; H10-N13 VanDerWaalsContact O-N 3.16Å; N13-T15 PolarHBondContact O-N 2.94Å; N13-F16 CarbonylContact O-C 3.55Å; N13-F16 WeakPolarHBondContact O-CA 3.44Å; N13-F16 PolarHBondContact O-N 2.84Å; N13-Q17 PolarHBondContact O-N 3.28Å
14	D	36.9	Very low	33.7	Very low	104 Å²	104	111.7 Å²	111.7	56%	0.556	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-17	174.8	-59.1	-4.8	0	0	0	111.8	H10 L12	H10-D14 IonicContact CE1-OD1 2.67Å; H10-D14 IonicContact ND1-OD1 2.77Å; H10-D14 PolarHBondContact ND1-OD1 2.99Å; H10-D14 VanDerWaalsContact ND1-OD1 3.14Å; H10-D14 IonicContact ND1-OD2 3.13Å; H10-D14 WeakPolarHBondContact O-CB 3.25Å; H10-D14 PolarHBondContact O-N 3.42Å; L12-D14 VanDerWaalsContact C-N 3.34Å; L12-D14 PolarHBondContact O-N 2.99Å
15	T	38.2	Very low	33.6	Very low	80 Å²	80	113.9 Å²	113.9	49%	0.491	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.8	-6.5	171.1	-52.6	0	0	0	0	112.6	E11 L12 N13	E11-T15 PolarHBondContact O-OG1 2.93Å; L12-T15 WeakPolarHBondContact O-CA 3.41Å; L12-T15 WeakPolarHBondContact O-CB 3.37Å; L12-T15 PolarHBondContact O-N 3.42Å; N13-T15 PolarHBondContact O-N 2.94Å
16	F	33.3	Very low	33.3	Very low	103 Å²	103	116 Å²	116	45%	0.452	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-119.9	3.5	-175.8	-86.6	-85.9	0	0	0	114.8	L12 N13 S236	L12-F16 WeakPolarHBondContact O-CD2 3.3Å; L12-F16 PolarHBondContact O-N 3.29Å; N13-F16 CarbonylContact O-C 3.55Å; N13-F16 WeakPolarHBondContact O-CA 3.44Å; N13-F16 PolarHBondContact O-N 2.84Å; F16-S236 WeakPolarHBondContact CE2-OG 2.96Å; F16-S236 VanDerWaalsContact CZ-OG 3.32Å; F16-S236 WeakPolarHBondContact CZ-OG 3.15Å
17	Q	31.7	Very low	33.1	Very low	152 Å²	152	121.8 Å²	121.8	71%	0.71	63%	0.631	S	S	*	*	S	Bend	trans	-87.2	123	168.2	-71.2	-168.6	-8.5	0	0	111.8	N13 V19	N13-Q17 PolarHBondContact O-N 3.28Å; Q17-V19 PolarHBondContact O-N 2.66Å
18	D	31.2	Very low	33	Very low	146 Å²	146	122.7 Å²	122.7	78%	0.781	64%	0.641	S	S	*	*			trans	-1.4	95.5	169.1	-60.1	-48.9	0	0	0	118.5	S20	D18-S20 PolarHBondContact O-N 3.35Å; D18-S20 VanDerWaalsContact O-N 3.1Å
19	V	29.8	Very low	32.8	Very low	145 Å²	145	125.5 Å²	125.5	88%	0.879	67%	0.666	S	S	*	*			trans	-79.4	75	148.4	-175.7	0	0	0	0	108	Q17	Q17-V19 PolarHBondContact O-N 2.66Å
20	S	29.4	Very low	32.3	Very low	76 Å²	76	126.8 Å²	126.8	53%	0.531	68%	0.684	S	S	.	*			trans	-66.8	142.1	168	50.7	0	0	0	0	110.4	D18 S22	D18-S20 PolarHBondContact O-N 3.35Å; D18-S20 VanDerWaalsContact O-N 3.1Å; S20-S22 PolarHBondContact O-N 3.05Å; S20-S22 VanDerWaalsContact O-N 3.09Å
21	V	30.6	Very low	32.1	Very low	146 Å²	146	127 Å²	127	89%	0.885	70%	0.699	S	S	*	*	S	Bend	trans	-88.3	76.2	-175.6	-174.3	0	0	0	0	109.9
22	S	28	Very low	31.7	Very low	80 Å²	80	131.8 Å²	131.8	56%	0.559	72%	0.721	S	S	*	*	S	Bend	trans	-151.7	-46.9	177.4	46.6	0	0	0	0	115.8	S20	S20-S22 PolarHBondContact O-N 3.05Å; S20-S22 VanDerWaalsContact O-N 3.09Å
23	D	29.4	Very low	31.2	Very low	136 Å²	136	134.2 Å²	134.2	73%	0.727	74%	0.743	S	S	*	*			trans	-116.8	52.1	-155	-62.9	-77.5	0	0	0	116.9
24	I	32.7	Very low	30.7	Very low	171 Å²	171	139.9 Å²	139.9	88%	0.877	76%	0.758	S	S	*	*			trans	-137.7	63.3	160.3	-42.9	178.9	0	0	0	111.5
25	E	30.2	Very low	30.3	Very low	186 Å²	186	141.3 Å²	141.3	87%	0.869	76%	0.761	S	S	*	*			trans	-117	171.3	155.2	-66.1	-159.1	141	0	0	109.9
26	D	31	Very low	29.7	Very low	154 Å²	154	144.1 Å²	144.1	82%	0.824	77%	0.773	S	S	*	*	S	Bend	trans	55.9	78	-179.8	-80.9	-6.4	0	0	0	118.3
27	R	32.2	Very low	29.5	Very low	238 Å²	238	146 Å²	146	90%	0.898	79%	0.787	S	S	*	*	S	Bend		176.9	87.9	114.7	-91.4	157.4	-165.5	-154.3	6.2	113.5
28	N	33.5	Very low	29.1	Very low	175 Å²	175	142.7 Å²	142.7	94%	0.936	79%	0.786	S	S	*	*			trans	-177.7	89.8	138.8	-96.6	-39.5	0	0	0	110.2
29	S	29.4	Very low	28.8	Very low	121 Å²	121	139 Å²	139	85%	0.846	78%	0.783	S	S	*	*			trans	-77.7	158.2	-178.7	53.5	0	0	0	0	113.8
30	A	28.1	Very low	28.6	Very low	100 Å²	100	133.9 Å²	133.9	83%	0.826	76%	0.759	S	S	*	*			trans	81.1	69.1	164.5	0	0	0	0	0	119
31	S	30.5	Very low	28.4	Very low	122 Å²	122	137.9 Å²	137.9	85%	0.853	78%	0.78	S	S	*	*	S	Bend		-153.4	156.4	129.1	55.8	0	0	0	0	111.5
32	H	30.2	Very low	28.2	Very low	175 Å²	175	133.8 Å²	133.8	81%	0.81	77%	0.767	S	S	*	*			trans	-68.5	129.6	-163.4	-74.1	-85.4	0	0	0	115.4	R34	H32-R34 PolarHBondContact O-N 3.06Å
33	S	23.8	Very low	28.3	Very low	112 Å²	112	131.8 Å²	131.8	78%	0.783	75%	0.752	S	S	*	*			trans	8.6	81.9	142.3	60.8	0	0	0	0	116.9
34	R	24.4	Very low	28.2	Very low	216 Å²	216	131.1 Å²	131.1	82%	0.815	74%	0.742	S	S	*	*			trans	-133.3	106.3	157.6	-75.1	-170.9	173.3	-166.2	-2.3	109.2	H32 N36	H32-R34 PolarHBondContact O-N 3.06Å; R34-N36 PolarHBondContact O-N 3.13Å
35	Q	27.9	Very low	27.9	Very low	134 Å²	134	124.6 Å²	124.6	63%	0.626	71%	0.714	S	S	*	*			trans	-60.5	120.2	157.1	-71.1	177.3	-42.7	0	0	107	L37 G520	Q35-L37 VanDerWaalsContact C-N 3.28Å; Q35-L37 HydrophobicContact CB-CD1 4.29Å; Q35-L37 PolarHBondContact O-N 3.14Å; Q35-G520 PolarHBondContact NE2-O 3Å
36	N	26.2	Very low	28.1	Very low	139 Å²	139	121.4 Å²	121.4	74%	0.743	70%	0.703	S	S	*	*			trans	-78.1	75.6	-173.6	-79.4	-40.9	0	0	0	112	R34 A38	R34-N36 PolarHBondContact O-N 3.13Å; N36-A38 PolarHBondContact O-N 2.89Å
37	L	28.6	Very low	28.4	Very low	141 Å²	141	115.8 Å²	115.8	74%	0.738	67%	0.671	S	S	*	*			trans	-70.1	44.2	160.8	-74.6	115.7	0	0	0	111.9	Q35	Q35-L37 VanDerWaalsContact C-N 3.28Å; Q35-L37 HydrophobicContact CB-CD1 4.29Å; Q35-L37 PolarHBondContact O-N 3.14Å
38	A	24.3	Very low	28.7	Very low	84 Å²	84	106 Å²	106	69%	0.694	64%	0.636	S	S	*	*			trans	-164.5	96.5	175.8	0	0	0	0	0	110.1	N36	N36-A38 PolarHBondContact O-N 2.89Å
39	G	24.3	Very low	28.8	Very low	69 Å²	69	104.2 Å²	104.2	71%	0.711	62%	0.622	S	S	*	*			trans	178.8	40.6	-176.6	0	0	0	0	0	116.5
40	G	25.2	Very low	29.1	Very low	37 Å²	37	102.2 Å²	102.2	38%	0.381	60%	0.599	S	S	.	*			trans	-166.8	38.5	-171.2	0	0	0	0	0	116.9	G42	G40-G42 PolarHBondContact O-N 2.75Å
41	T	26.1	Very low	29.6	Very low	159 Å²	159	100.2 Å²	100.2	98%	0.975	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	87.8	175.5	51.7	0	0	0	0	111.2
42	G	25.2	Very low	29.8	Very low	60 Å²	60	97.4 Å²	97.4	62%	0.619	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	160.7	2.3	176.3	0	0	0	0	0	118	G40	G40-G42 PolarHBondContact O-N 2.75Å
43	V	30.1	Very low	29.8	Very low	38 Å²	38	96.9 Å²	96.9	23%	0.23	56%	0.556	C	S	.	*	S	Bend	trans	-125	-22.7	-172.7	-178.4	0	0	0	0	114.8	S195 I224	V43-S195 PolarHBondContact O-OG 2.94Å; V43-I224 HydrophobicContact CG2-CB 4.32Å; V43-I224 HydrophobicContact CG2-CD1 3.81Å; V43-I224 HydrophobicContact CG2-CG1 3.64Å; V43-I224 HydrophobicContact CG2-CG2 3.95Å
44	F	28.3	Very low	30	Very low	122 Å²	122	94.5 Å²	94.5	54%	0.535	54%	0.537	S	S	.	.	S	Bend	trans	-111.9	3.8	-163.2	-68.6	-84.4	0	0	0	115.9
45	A	26.4	Very low	30.1	Very low	35 Å²	35	89.6 Å²	89.6	29%	0.289	53%	0.527	S	S	.	.			trans	-67.6	-58.8	-167.8	0	0	0	0	0	114.2	F47 F48 E49	A45-F47 VanDerWaalsContact C-N 3.3Å; A45-F47 PolarHBondContact O-N 3.4Å; A45-F47 VanDerWaalsContact O-N 3.07Å; A45-F48 PolarHBondContact O-N 3.27Å; A45-E49 HydrophobicContact CB-CG 4.44Å; A45-E49 PolarHBondContact O-N 2.8Å
46	N	34.5	Very low	30	Very low	119 Å²	119	88.5 Å²	88.5	64%	0.636	53%	0.534	S	S	*	.	H	α-helix	trans	-57	-34.2	-162.2	-60.5	30.6	0	0	0	115.2	F48	N46-F48 VanDerWaalsContact C-N 3.28Å; N46-F48 PolarHBondContact O-N 3.14Å
47	F	37.3	Very low	30	Very low	35 Å²	35	93.2 Å²	93.2	15%	0.154	54%	0.543	C	S	.	.	H	α-helix	trans	-71.7	-22.5	-177.9	-169.3	-85.7	0	0	0	113.1	A45 M51 K425 T509 A511	A45-F47 VanDerWaalsContact C-N 3.3Å; A45-F47 PolarHBondContact O-N 3.4Å; A45-F47 VanDerWaalsContact O-N 3.07Å; F47-M51 HydrophobicContact CD1-CE 4.48Å; F47-M51 HydrophobicContact CE1-CE 3.82Å; F47-M51 HydrophobicContact CE1-SD 4.18Å; F47-M51 HydrophobicContact CE2-CE 4.25Å; F47-M51 HydrophobicContact CZ-CE 3.71Å; F47-K425 HydrophobicContact CD2-CD 4.42Å; F47-K425 HydrophobicContact CE2-CD 4.39Å; F47-T509 HydrophobicContact CB-CG2 4.26Å; F47-T509 HydrophobicContact CD1-CG2 3.67Å; F47-T509 HydrophobicContact CD2-CG2 4.09Å; F47-T509 HydrophobicContact CE1-CG2 4.06Å; F47-T509 HydrophobicContact CE2-CG2 4.42Å; F47-T509 HydrophobicContact CG-CG2 3.71Å; F47-T509 HydrophobicContact CZ-CG2 4.41Å; F47-A511 HydrophobicContact CD1-CB 4.39Å; F47-A511 HydrophobicContact CE1-CB 3.56Å; F47-A511 HydrophobicContact CZ-CB 4.31Å
48	F	37.6	Very low	29.8	Very low	33 Å²	33	95.3 Å²	95.3	15%	0.145	55%	0.549	C	S	.	.	H	α-helix	trans	-112.8	-32.1	-175.3	-80	-71.9	0	0	0	114.5	A45 N46 E50 M51 A52 P510 A511 I557	A45-F48 PolarHBondContact O-N 3.27Å; N46-F48 VanDerWaalsContact C-N 3.28Å; N46-F48 PolarHBondContact O-N 3.14Å; F48-E50 PolarHBondContact O-N 2.93Å; F48-M51 PolarHBondContact O-N 2.79Å; F48-A52 VanDerWaalsContact O-CB 3.26Å; F48-A52 WeakPolarHBondContact O-CB 3.35Å; F48-A52 PolarHBondContact O-N 3.16Å; F48-A52 VanDerWaalsContact O-N 3.1Å; F48-P510 HydrophobicContact CE2-CB 3.65Å; F48-P510 HydrophobicContact CE2-CG 3.96Å; F48-P510 HydrophobicContact CZ-CB 3.81Å; F48-A511 HydrophobicContact CE1-CB 4.1Å; F48-A511 HydrophobicContact CZ-CB 3.67Å; F48-I557 HydrophobicContact CD1-CD1 4.08Å; F48-I557 HydrophobicContact CE1-CD1 3.52Å; F48-I557 HydrophobicContact CZ-CD1 4.32Å
49	E	35.8	Very low	29.8	Very low	138 Å²	138	96.5 Å²	96.5	65%	0.645	55%	0.552	S	S	*	*	H	α-helix	trans	-60.6	-34.7	176.9	-71.5	177.1	174.2	0	0	111.4	A45	A45-E49 HydrophobicContact CB-CG 4.44Å; A45-E49 PolarHBondContact O-N 2.8Å
50	E	36.6	Very low	30.1	Very low	78 Å²	78	98.3 Å²	98.3	36%	0.364	55%	0.554	S	S	.	*	H	α-helix	trans	-75.7	-21.4	176.2	-160	159.8	-123.7	0	0	113.4	F48 Q390	F48-E50 PolarHBondContact O-N 2.93Å; E50-Q390 PolarHBondContact O-NE2 3.24Å
51	M	37.5	Very low	30.2	Very low	58 Å²	58	103 Å²	103	29%	0.286	57%	0.57	S	S	.	*	H	α-helix	trans	-95.5	-10.2	179.2	-63.6	-161.7	-175	0	0	114.6	F47 F48 F541 V547	F47-M51 HydrophobicContact CD1-CE 4.48Å; F47-M51 HydrophobicContact CE1-CE 3.82Å; F47-M51 HydrophobicContact CE1-SD 4.18Å; F47-M51 HydrophobicContact CE2-CE 4.25Å; F47-M51 HydrophobicContact CZ-CE 3.71Å; F48-M51 PolarHBondContact O-N 2.79Å; M51-F541 HydrophobicContact CE-CE2 4.32Å; M51-V547 HydrophobicContact CE-CG1 4.14Å; M51-V547 HydrophobicContact SD-CG1 3.89Å; M51-V547 HydrophobicContact SD-CG2 4.38Å
52	A	34.8	Very low	30.3	Very low	64 Å²	64	102.4 Å²	102.4	53%	0.529	56%	0.561	S	S	.	*	H	α-helix	trans	-100.7	-18.2	-165.3	0	0	0	0	0	116.4	F48 P54	F48-A52 VanDerWaalsContact O-CB 3.26Å; F48-A52 WeakPolarHBondContact O-CB 3.35Å; F48-A52 PolarHBondContact O-N 3.16Å; F48-A52 VanDerWaalsContact O-N 3.1Å; A52-P54 WeakPolarHBondContact O-CD 3.07Å
53	E	29.9	Very low	30.3	Very low	164 Å²	164	107.2 Å²	107.2	77%	0.766	57%	0.569	S	S	*	*			trans	-104.8	120.9	-172.8	-71.8	-141.1	152.7	0	0	115.5
54	P	28.3	Very low	30.2	Very low	62 Å²	62	112 Å²	112	40%	0.403	59%	0.593	S	S	.	*			trans	-114.4	95.5	158.9	35.2	-25.2	0	0	0	112.3	A52 Q387	A52-P54 WeakPolarHBondContact O-CD 3.07Å; P54-Q387 HydrophobicContact CB-CB 4.4Å; P54-Q387 HydrophobicContact CG-CG 4.41Å
55	L	27	Very low	30.2	Very low	113 Å²	113	113.9 Å²	113.9	59%	0.592	60%	0.603	S	S	*	*			trans	35.2	110.8	156.4	-64.5	173.6	0	0	0	119.9
56	S	25	Very low	30.3	Very low	111 Å²	111	115.8 Å²	115.8	78%	0.776	60%	0.603	S	S	*	*			trans	-156.6	102.7	131.4	71.3	0	0	0	0	114.6
57	Y	26.8	Very low	30.1	Very low	237 Å²	237	117.7 Å²	117.7	93%	0.929	61%	0.608	S	S	*	*			trans	-129.4	108.8	154.3	-113.8	-95.1	0	0	0	109.3
58	Q	25.1	Very low	29.7	Very low	185 Å²	185	120.1 Å²	120.1	86%	0.864	63%	0.63	S	S	*	*			trans	-85.8	113.5	173	-73.7	-172.8	-19.7	0	0	109.2
59	S	24.9	Very low	29.3	Very low	109 Å²	109	123.3 Å²	123.3	76%	0.762	65%	0.652	S	S	*	*			trans	-61.7	133.2	159.4	46.7	0	0	0	0	109.4
60	S	29.1	Very low	29.1	Very low	108 Å²	108	125.7 Å²	125.7	76%	0.755	66%	0.66	S	S	*	*			trans	-131.7	102.4	172.1	70.9	0	0	0	0	109.8
61	N	27.7	Very low	28.6	Very low	135 Å²	135	127 Å²	127	72%	0.722	68%	0.677	S	S	*	*			trans	-67.8	-179	-169.7	-52.9	-8.5	0	0	0	114.7
62	L	27.7	Very low	28.2	Very low	147 Å²	147	133.4 Å²	133.4	77%	0.77	70%	0.703	S	S	*	*			trans	116.1	106.1	157.5	-60.6	165.8	0	0	0	111.6
63	M	26.2	Very low	27.9	Very low	160 Å²	160	138 Å²	138	79%	0.788	71%	0.713	S	S	*	*				71.6	133.7	76.7	-72.2	173	158.7	0	0	111.3
64	D	26.7	Very low	27.9	Very low	138 Å²	138	136 Å²	136	74%	0.738	71%	0.708	S	S	*	*			cis	-159.8	169.5	43.3	-108	-45.2	0	0	0	115.9
65	E	29.6	Very low	27.8	Very low	162 Å²	162	138.1 Å²	138.1	76%	0.757	72%	0.723	S	S	*	*			trans	65.4	93.5	150.2	-69.8	-174.4	138.5	0	0	124.7
66	R	27.6	Very low	27.7	Very low	76 Å²	76	144 Å²	144	29%	0.287	74%	0.738	S	S	.	*				19.3	144.6	120.6	-45.1	172.4	-163.2	-116.9	7	121.4	E297 N299	R66-E297 VanDerWaalsContact CD-O 3.28Å; R66-E297 WeakPolarHBondContact CD-O 3.33Å; R66-E297 HydrophobicContact CG-CB 4.35Å; R66-E297 WeakPolarHBondContact CG-O 3.43Å; R66-E297 IonicContact CZ-OE1 2.7Å; R66-E297 IonicContact CZ-OE2 3.35Å; R66-E297 IonicContact NE-OE2 2.92Å; R66-E297 PolarHBondContact NE-OE2 3.32Å; R66-E297 PolarHBondContact NH1-O 3.46Å; R66-E297 IonicContact NH1-OE1 3.87Å; R66-E297 PolarHBondContact NH1-OE1 3.34Å; R66-E297 VanDerWaalsContact NH1-OE1 3.09Å; R66-E297 IonicContact NH1-OE2 2.66Å; R66-E297 PolarHBondContact NH1-OE2 3Å; R66-E297 IonicContact NH2-OE1 3.34Å; R66-E297 PolarHBondContact NH2-OE1 2.93Å; R66-E297 IonicContact NH2-OE2 3.09Å; R66-E297 PolarHBondContact NH2-OE2 3.01Å; R66-N299 VanDerWaalsContact CZ-ND2 3.27Å; R66-N299 VanDerWaalsContact NH1-CG 3.27Å; R66-N299 PolarHBondContact NH1-ND2 3.43Å; R66-N299 PolarHBondContact NH2-ND2 3.33Å
67	Q	30.2	Very low	28	Very low	159 Å²	159	143.7 Å²	143.7	74%	0.743	73%	0.731	S	S	*	*				164.3	111.7	109.4	-86.6	-169.2	53	0	0	118	F298	Q67-F298 HydrophobicContact CB-CE2 4.47Å; Q67-F298 HydrophobicContact CB-CZ 4.02Å; Q67-F298 HydrophobicContact CG-CE2 4.44Å; Q67-F298 HydrophobicContact CG-CZ 3.85Å
68	S	29.6	Very low	28.1	Very low	86 Å²	86	140.4 Å²	140.4	60%	0.601	73%	0.725	S	S	*	*				123.6	125.3	122.5	-162.4	0	0	0	0	120.8	F298	S68-F298 VanDerWaalsContact CA-CE2 3.46Å; S68-F298 VanDerWaalsContact N-CZ 3.28Å
69	T	30.1	Very low	28.2	Very low	99 Å²	99	137 Å²	137	61%	0.607	72%	0.716	S	S	*	*			trans	-78.3	155.9	178.7	57	0	0	0	0	115.8
70	K	29.6	Very low	28.4	Very low	188 Å²	188	142.9 Å²	142.9	82%	0.817	72%	0.722	S	S	*	*				173.2	154	120.2	-102.1	-179.7	176.7	177.3	0	116.3
71	C	26.8	Very low	28.4	Very low	107 Å²	107	142.1 Å²	142.1	72%	0.723	72%	0.717	S	S	*	*			trans	40.7	128.6	156	-65.8	0	0	0	0	121
72	K	29.3	Very low	28.5	Very low	191 Å²	191	141.4 Å²	141.4	83%	0.83	71%	0.713	S	S	*	*				83.2	137.2	55.7	-92	-166.1	173.6	-174.3	0	115.9
73	Q	27.7	Very low	28.5	Very low	160 Å²	160	142.3 Å²	142.3	75%	0.748	71%	0.713	S	S	*	*			trans	98.1	124.2	153.8	-79.7	178	-103.1	0	0	122.4
74	D	30.8	Very low	28.6	Very low	122 Å²	122	140.1 Å²	140.1	65%	0.652	71%	0.708	S	S	*	*			trans	79.6	93.5	132.6	-55	-18.7	0	0	0	124.1
75	C	25.9	Very low	28.6	Very low	108 Å²	108	139.1 Å²	139.1	73%	0.73	70%	0.703	S	S	*	*				57.6	131.3	109.6	-70.4	0	0	0	0	123.5
76	R	26	Very low	28.4	Very low	235 Å²	235	139.7 Å²	139.7	89%	0.887	71%	0.706	S	S	*	*			trans	74	155.6	159.4	-60.2	172.3	176.1	167.8	-1.2	114.9
77	T	29.9	Very low	28.3	Very low	105 Å²	105	139.9 Å²	139.9	64%	0.644	73%	0.732	S	S	*	*			cis	-154	154.6	17.7	-24	0	0	0	0	111.9
78	Q	29.9	Very low	28.1	Very low	169 Å²	169	138.5 Å²	138.5	79%	0.79	74%	0.739	S	S	*	*			trans	37.1	148.7	137.9	-80.8	167.5	-2.9	0	0	122.9
79	T	27.9	Very low	27.9	Very low	112 Å²	112	139.8 Å²	139.8	69%	0.687	75%	0.748	S	S	*	*			cis	-175.2	157.9	-15.3	16.9	0	0	0	0	110.3
80	R	27.2	Very low	27.6	Very low	234 Å²	234	139.8 Å²	139.8	88%	0.883	75%	0.753	S	S	*	*			trans	67.5	154.2	150.5	-80.3	178.9	172.3	173.2	-3.5	117.9
81	S	29.4	Very low	27.3	Very low	92 Å²	92	139.1 Å²	139.1	64%	0.643	75%	0.754	S	S	*	*			cis	-163.8	146.8	-3.4	33.6	0	0	0	0	113.7
82	N	30.5	Very low	27.3	Very low	120 Å²	120	141.4 Å²	141.4	64%	0.642	76%	0.759	S	S	*	*			trans	73.4	117.8	141.3	-69.7	44.2	0	0	0	122.5
83	E	27.5	Very low	27	Very low	165 Å²	165	140.9 Å²	140.9	77%	0.771	75%	0.752	S	S	*	*				65.4	147.6	115.3	-68.9	167.2	174.1	0	0	121.5
84	V	27.9	Very low	27	Very low	115 Å²	115	140.7 Å²	140.7	70%	0.697	76%	0.756	S	S	*	*			cis	-163.9	152.6	-15	108.1	0	0	0	0	109.9
85	N	27.5	Very low	26.7	Very low	117 Å²	117	141.8 Å²	141.8	63%	0.626	76%	0.757	S	S	*	*			trans	58.2	156	162.9	-74.8	26.8	0	0	0	119.6
86	E	25.2	Very low	26.8	Very low	173 Å²	173	143.8 Å²	143.8	81%	0.808	76%	0.759	S	S	*	*			cis	-158.8	170.4	-18.2	-121.2	168.7	-177.7	0	0	110
87	G	25.9	Very low	26.9	Very low	81 Å²	81	136.3 Å²	136.3	84%	0.835	74%	0.742	S	S	*	*			trans	79.3	51	149.6	0	0	0	0	0	118.6
88	S	26.2	Very low	26.6	Very low	129 Å²	129	137.7 Å²	137.7	90%	0.902	75%	0.753	S	S	*	*			trans	-97.4	146.6	167.8	58.8	0	0	0	0	112.9
89	S	24.7	Very low	26.5	Very low	113 Å²	113	136.6 Å²	136.6	79%	0.79	75%	0.75	S	S	*	*			trans	-111	156.6	-177.6	-178.5	0	0	0	0	111.9
90	S	23.7	Very low	26.6	Very low	100 Å²	100	138 Å²	138	70%	0.699	75%	0.748	S	S	*	*			trans	93	129.3	150	86.1	0	0	0	0	120.9
91	M	23.5	Very low	26.6	Very low	173 Å²	173	131.8 Å²	131.8	85%	0.852	75%	0.747	S	S	*	*			trans	76.8	154	152.5	-51.6	-160.1	76.1	0	0	121
92	L	26.6	Very low	26.7	Very low	156 Å²	156	133.7 Å²	133.7	82%	0.817	74%	0.744	S	S	*	*			trans	70.1	107	-179.1	-49.1	175.7	0	0	0	113.4
93	R	22.4	Very low	26.5	Very low	180 Å²	180	137.9 Å²	137.9	68%	0.679	75%	0.752	S	S	*	*				56.4	116	70.1	-72.8	-163.9	-177.3	179.4	6.5	114.1
94	D	27.7	Very low	26.6	Very low	156 Å²	156	132.8 Å²	132.8	83%	0.834	75%	0.745	S	S	*	*				-159.1	-175.6	110.1	-96.3	-20.4	0	0	0	111.8
95	E	25.4	Very low	26.8	Very low	145 Å²	145	132.6 Å²	132.6	68%	0.678	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-91.6	117.1	-158.4	-56.5	-173.8	141.8	0	0	113.7	R1059	E95-R1059 IonicContact OE1-CZ 3.76Å; E95-R1059 IonicContact OE1-NH2 2.87Å; E95-R1059 PolarHBondContact OE1-NH2 2.97Å; E95-R1059 IonicContact OE2-CZ 3.46Å; E95-R1059 IonicContact OE2-NH2 2.73Å; E95-R1059 PolarHBondContact OE2-NH2 3.15Å
96	I	27.3	Very low	27.3	Very low	149 Å²	149	132.9 Å²	132.9	76%	0.764	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-80.5	136.3	172.5	-62	176.3	0	0	0	110.4
97	S	27.7	Very low	27.8	Very low	78 Å²	78	127.6 Å²	127.6	55%	0.545	73%	0.727	S	S	.	*	P	Polyproline II helix	trans	-80.9	138.5	-174.1	-170.8	0	0	0	0	112.6	M99	S97-M99 PolarHBondContact O-N 2.95Å
98	P	25.5	Very low	28.2	Very low	135 Å²	135	128.9 Å²	128.9	88%	0.877	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	44.5	-175.1	34.9	-38.6	0	0	0	113.5
99	M	26.2	Very low	28.9	Very low	146 Å²	146	127.5 Å²	127.5	72%	0.719	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.8	-15.3	-174.5	-160.2	157.9	-172.5	0	0	114.2	S97	S97-M99 PolarHBondContact O-N 2.95Å
100	E	29.8	Very low	29.5	Very low	140 Å²	140	125.8 Å²	125.8	65%	0.654	68%	0.679	S	S	*	*	S	Bend	trans	-84.2	-18.8	-178.2	-66	171.4	145	0	0	113.1	F102	E100-F102 PolarHBondContact O-N 3.37Å
101	A	28.1	Very low	30.2	Very low	104 Å²	104	125.7 Å²	125.7	86%	0.86	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	29.1	174.9	0	0	0	0	0	114.1
102	F	31.2	Very low	31.1	Very low	132 Å²	132	122.8 Å²	122.8	58%	0.579	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.8	4.3	-178.2	-122.3	-72.9	0	0	0	113.7	E100 P259	E100-F102 PolarHBondContact O-N 3.37Å; F102-P259 HydrophobicContact CZ-CG 4.06Å
103	Y	27.1	Very low	32	Very low	208 Å²	208	117.8 Å²	117.8	82%	0.816	63%	0.627	S	S	*	*			trans	-110.3	126.3	178.4	-65.6	-86.1	0	0	0	109.7
104	G	29.7	Very low	32.9	Very low	59 Å²	59	113 Å²	113	61%	0.608	61%	0.614	S	S	*	*			trans	-150.7	95.3	177.7	0	0	0	0	0	110.8	N106	G104-N106 PolarHBondContact O-N 2.92Å
105	D	31.8	Very low	33.7	Very low	111 Å²	111	110.4 Å²	110.4	59%	0.594	60%	0.597	S	S	*	*	S	Bend	trans	44.8	-3.7	153.5	-60.5	13	0	0	0	122	Q875	D105-Q875 PolarHBondContact OD2-NE2 3.22Å
106	N	37.6	Very low	34.6	Very low	122 Å²	122	109.9 Å²	109.9	65%	0.652	59%	0.589	S	S	*	*			trans	-109.6	6.6	-177.4	-72.9	2.7	0	0	0	114.8	G104 D108	G104-N106 PolarHBondContact O-N 2.92Å; N106-D108 VanDerWaalsContact C-N 3.28Å; N106-D108 PolarHBondContact O-N 3.34Å
107	A	34.6	Very low	35.1	Very low	62 Å²	62	108.5 Å²	108.5	51%	0.512	58%	0.575	S	S	.	*	H	α-helix	trans	-71.7	-16	-173.2	0	0	0	0	0	114.9	L111	A107-L111 PolarHBondContact O-N 2.83Å
108	D	34.3	Very low	35.8	Very low	108 Å²	108	108.9 Å²	108.9	58%	0.578	56%	0.564	S	S	*	*	H	α-helix	trans	-74.5	-24.4	-173.6	-75	-8.8	0	0	0	113.9	N106 K112	N106-D108 VanDerWaalsContact C-N 3.28Å; N106-D108 PolarHBondContact O-N 3.34Å; D108-K112 WeakPolarHBondContact O-CD 3.44Å; D108-K112 WeakPolarHBondContact O-CE 3.39Å; D108-K112 VanDerWaalsContact O-CG 3.31Å; D108-K112 WeakPolarHBondContact O-CG 3.41Å; D108-K112 PolarHBondContact O-N 3.5Å
109	D	41	Very low	36.7	Very low	100 Å²	100	109.3 Å²	109.3	54%	0.535	56%	0.556	S	S	.	*	H	α-helix	trans	-81.8	-35.7	179.1	-73	-23.2	0	0	0	112.2	L111 K112 I113	D109-L111 PolarHBondContact O-N 3.49Å; D109-K112 PolarHBondContact O-N 3.46Å; D109-K112 VanDerWaalsContact O-N 3.16Å; D109-K112 WeakPolarHBondContact OD1-CD 3.48Å; D109-K112 IonicContact OD1-NZ 2.72Å; D109-K112 PolarHBondContact OD1-NZ 3.46Å; D109-I113 WeakPolarHBondContact O-CG1 2.94Å; D109-I113 PolarHBondContact O-N 2.97Å; D109-I113 VanDerWaalsContact O-N 3.08Å
110	D	37.4	Very low	37.4	Very low	77 Å²	77	104 Å²	104	41%	0.412	53%	0.53	S	S	.	.	H	α-helix	trans	-59	-35.1	170	-75.9	-22.6	0	0	0	111.6	L114	D110-L114 PolarHBondContact O-N 3.45Å
111	L	40	Very low	38.1	Very low	98 Å²	98	101.4 Å²	101.4	51%	0.513	52%	0.524	S	S	.	.	H	α-helix	trans	-68.2	-42.1	174.5	-111.2	70	0	0	0	112.5	A107 D109 I113 L114 E115	A107-L111 PolarHBondContact O-N 2.83Å; D109-L111 PolarHBondContact O-N 3.49Å; L111-I113 VanDerWaalsContact C-N 3.29Å; L111-I113 PolarHBondContact O-N 3.3Å; L111-L114 PolarHBondContact O-N 3.36Å; L111-E115 PolarHBondContact O-N 3.47Å
112	K	41.8	Very low	38.6	Very low	113 Å²	113	101.3 Å²	101.3	49%	0.491	51%	0.509	S	S	.	.	H	α-helix	trans	-65.5	-33.2	178.5	-67.1	160.7	-154.4	157.1	0	112.2	D108 D109 R116	D108-K112 WeakPolarHBondContact O-CD 3.44Å; D108-K112 WeakPolarHBondContact O-CE 3.39Å; D108-K112 VanDerWaalsContact O-CG 3.31Å; D108-K112 WeakPolarHBondContact O-CG 3.41Å; D108-K112 PolarHBondContact O-N 3.5Å; D109-K112 PolarHBondContact O-N 3.46Å; D109-K112 VanDerWaalsContact O-N 3.16Å; D109-K112 WeakPolarHBondContact OD1-CD 3.48Å; D109-K112 IonicContact OD1-NZ 2.72Å; D109-K112 PolarHBondContact OD1-NZ 3.46Å; K112-R116 PolarHBondContact O-N 3.04Å; K112-R116 VanDerWaalsContact O-N 3.1Å
113	I	45.4	Very low	39	Very low	51 Å²	51	98.4 Å²	98.4	26%	0.262	51%	0.505	S	S	.	.	H	α-helix	trans	-62.4	-48.6	172.4	-72.2	167	0	0	0	110	D109 L111 R116 Y117 I781	D109-I113 WeakPolarHBondContact O-CG1 2.94Å; D109-I113 PolarHBondContact O-N 2.97Å; D109-I113 VanDerWaalsContact O-N 3.08Å; L111-I113 VanDerWaalsContact C-N 3.29Å; L111-I113 PolarHBondContact O-N 3.3Å; I113-R116 PolarHBondContact O-N 3.32Å; I113-Y117 PolarHBondContact O-N 3Å; I113-I781 HydrophobicContact CG2-CG1 4.39Å
114	L	41.5	Very low	39.4	Very low	80 Å²	80	96.5 Å²	96.5	42%	0.419	50%	0.498	S	S	.	.	H	α-helix	trans	-63.5	-40.9	176.4	-78.7	163.8	0	0	0	113.4	D110 L111 R116 Y117 R118	D110-L114 PolarHBondContact O-N 3.45Å; L111-L114 PolarHBondContact O-N 3.36Å; L114-R116 VanDerWaalsContact C-N 3.34Å; L114-R116 PolarHBondContact O-N 2.74Å; L114-Y117 WeakPolarHBondContact O-CB 3.37Å; L114-Y117 PolarHBondContact O-N 3.12Å; L114-R118 PolarHBondContact O-N 3.21Å
115	E	45	Very low	39.7	Very low	101 Å²	101	97.9 Å²	97.9	47%	0.472	50%	0.498	S	S	.	.	H	α-helix	trans	-67.8	-34	179.2	-149.7	75.5	-118.6	0	0	111.8	L111 R118 M119	L111-E115 PolarHBondContact O-N 3.47Å; E115-R118 WeakPolarHBondContact O-CB 3.47Å; E115-R118 PolarHBondContact O-N 3.1Å; E115-R118 WeakPolarHBondContact OE1-CD 3.39Å; E115-R118 IonicContact OE1-CZ 3.92Å; E115-R118 IonicContact OE1-NE 3.01Å; E115-R118 IonicContact OE1-NH1 3.12Å; E115-R118 PolarHBondContact OE1-NH1 3Å; E115-M119 PolarHBondContact O-N 2.97Å; E115-M119 VanDerWaalsContact O-N 3.07Å
116	R	43.5	Very low	39.8	Very low	134 Å²	134	99.5 Å²	99.5	51%	0.506	51%	0.507	S	S	.	.	H	α-helix	trans	-67.8	-40.2	170	-77.6	-179.3	179.5	-168.4	10.3	112.4	K112 I113 L114 R118 M119 L120 A777	K112-R116 PolarHBondContact O-N 3.04Å; K112-R116 VanDerWaalsContact O-N 3.1Å; I113-R116 PolarHBondContact O-N 3.32Å; L114-R116 VanDerWaalsContact C-N 3.34Å; L114-R116 PolarHBondContact O-N 2.74Å; R116-R118 VanDerWaalsContact C-N 3.27Å; R116-R118 PolarHBondContact O-N 3.5Å; R116-M119 PolarHBondContact O-N 2.92Å; R116-M119 VanDerWaalsContact O-N 3.15Å; R116-L120 PolarHBondContact O-N 3.3Å; R116-A777 PolarHBondContact NH1-O 2.94Å
117	Y	37.9	Very low	39.4	Very low	120 Å²	120	97.9 Å²	97.9	47%	0.471	51%	0.505	S	S	.	.	H	α-helix	trans	-57.6	-42.8	173.5	-146.6	-64	0	0	0	111	I113 L114 L120 V121 L779	I113-Y117 PolarHBondContact O-N 3Å; L114-Y117 WeakPolarHBondContact O-CB 3.37Å; L114-Y117 PolarHBondContact O-N 3.12Å; Y117-L120 PolarHBondContact O-N 3.35Å; Y117-V121 HydrophobicContact CD1-CG2 3.82Å; Y117-V121 HydrophobicContact CE1-CG2 3.91Å; Y117-V121 WeakPolarHBondContact O-CG2 3.44Å; Y117-V121 PolarHBondContact O-N 3.25Å; Y117-L779 HydrophobicContact CD2-CD2 3.79Å; Y117-L779 HydrophobicContact CE2-CD1 4.4Å; Y117-L779 HydrophobicContact CE2-CD2 3.55Å; Y117-L779 HydrophobicContact CE2-CG 4.46Å; Y117-L779 HydrophobicContact CG-CD2 4.46Å
118	R	42.8	Very low	39.1	Very low	86 Å²	86	105.1 Å²	105.1	33%	0.325	53%	0.525	S	S	.	.	H	α-helix	trans	-60.8	-42.6	174.4	-172.2	-172.1	-170.4	166.5	5.8	112.6	L114 E115 R116 N122 M169	L114-R118 PolarHBondContact O-N 3.21Å; E115-R118 WeakPolarHBondContact O-CB 3.47Å; E115-R118 PolarHBondContact O-N 3.1Å; E115-R118 WeakPolarHBondContact OE1-CD 3.39Å; E115-R118 IonicContact OE1-CZ 3.92Å; E115-R118 IonicContact OE1-NE 3.01Å; E115-R118 IonicContact OE1-NH1 3.12Å; E115-R118 PolarHBondContact OE1-NH1 3Å; R116-R118 VanDerWaalsContact C-N 3.27Å; R116-R118 PolarHBondContact O-N 3.5Å; R118-N122 VanDerWaalsContact O-CG 3.31Å; R118-N122 PolarHBondContact O-N 2.93Å; R118-M169 PolarHBondContact NH2-SD 3.41Å; R118-M169 VanDerWaalsContact NH2-SD 3.45Å
119	M	43.9	Very low	39	Very low	143 Å²	143	105.6 Å²	105.6	70%	0.704	53%	0.534	S	S	*	.	H	α-helix	trans	-66.4	-37	175.2	-70.1	-155.1	74.8	0	0	112.7	E115 R116 S123	E115-M119 PolarHBondContact O-N 2.97Å; E115-M119 VanDerWaalsContact O-N 3.07Å; R116-M119 PolarHBondContact O-N 2.92Å; R116-M119 VanDerWaalsContact O-N 3.15Å; M119-S123 PolarHBondContact O-N 2.97Å
120	L	41.5	Very low	38.3	Very low	34 Å²	34	106 Å²	106	18%	0.178	54%	0.544	C	S	.	.	H	α-helix	trans	-68.4	-47.6	178.8	-124.1	83.8	0	0	0	112.2	R116 Y117 N122 S123 Y124 N778	R116-L120 PolarHBondContact O-N 3.3Å; Y117-L120 PolarHBondContact O-N 3.35Å; L120-N122 PolarHBondContact O-N 3.12Å; L120-S123 PolarHBondContact O-N 3.45Å; L120-S123 PolarHBondContact O-OG 2.71Å; L120-Y124 HydrophobicContact CD2-CE2 4.44Å; L120-Y124 PolarHBondContact O-N 3.47Å; L120-N778 HydrophobicContact CD1-CB 3.81Å; L120-N778 HydrophobicContact CD2-CB 3.78Å; L120-N778 HydrophobicContact CG-CB 4.46Å
121	V	43.1	Very low	38	Very low	86 Å²	86	113.2 Å²	113.2	52%	0.521	57%	0.565	S	S	.	*	H	α-helix	trans	-58.5	-39.3	179.1	172.3	0	0	0	0	111.3	Y117 S123	Y117-V121 HydrophobicContact CD1-CG2 3.82Å; Y117-V121 HydrophobicContact CE1-CG2 3.91Å; Y117-V121 WeakPolarHBondContact O-CG2 3.44Å; Y117-V121 PolarHBondContact O-N 3.25Å; V121-S123 VanDerWaalsContact C-N 3.27Å; V121-S123 PolarHBondContact O-N 3.16Å
122	N	40.3	Very low	37.4	Very low	103 Å²	103	115 Å²	115	55%	0.551	58%	0.575	S	S	*	*	H	α-helix	trans	-72.3	-14.9	175.2	-69.4	-1.8	0	0	0	114.2	R118 L120 S125	R118-N122 VanDerWaalsContact O-CG 3.31Å; R118-N122 PolarHBondContact O-N 2.93Å; L120-N122 PolarHBondContact O-N 3.12Å; N122-S125 PolarHBondContact O-OG 3.04Å
123	S	37.8	Very low	37.2	Very low	71 Å²	71	117.8 Å²	117.8	50%	0.497	60%	0.596	S	S	.	*	H	α-helix	trans	-91.2	-13.1	178.5	70.1	0	0	0	0	114	M119 L120 V121	M119-S123 PolarHBondContact O-N 2.97Å; L120-S123 PolarHBondContact O-N 3.45Å; L120-S123 PolarHBondContact O-OG 2.71Å; V121-S123 VanDerWaalsContact C-N 3.27Å; V121-S123 PolarHBondContact O-N 3.16Å
124	Y	36.8	Very low	36.4	Very low	168 Å²	168	123.7 Å²	123.7	66%	0.659	62%	0.622	S	S	*	*	S	Bend	trans	-93.3	-4.7	177.2	-87.5	-89.4	0	0	0	114	L120	L120-Y124 HydrophobicContact CD2-CE2 4.44Å; L120-Y124 PolarHBondContact O-N 3.47Å
125	S	36.1	Very low	35.9	Very low	87 Å²	87	124.9 Å²	124.9	61%	0.608	64%	0.637	S	S	*	*	S	Bend	trans	-80.7	-19.1	177.1	36.1	0	0	0	0	114.8	N122	N122-S125 PolarHBondContact O-OG 3.04Å
126	D	32.8	Very low	35.5	Very low	145 Å²	145	128 Å²	128	78%	0.775	65%	0.652	S	S	*	*	S	Bend	trans	-111.9	60.8	-171.9	-76.2	-50.3	0	0	0	113.8
127	S	29.9	Very low	34.8	Very low	89 Å²	89	128.9 Å²	128.9	62%	0.622	67%	0.666	S	S	*	*			trans	-152.3	74.9	175.4	67.8	0	0	0	0	117.2
128	K	28.8	Very low	34.3	Very low	214 Å²	214	133.2 Å²	133.2	93%	0.93	68%	0.681	S	S	*	*			trans	-148.6	116.3	152.5	-82.9	-163.9	179.3	179.5	0	112.4
129	P	31.7	Very low	33.7	Very low	118 Å²	118	136 Å²	136	77%	0.766	70%	0.698	S	S	*	*			trans	-123.8	165.7	162.7	38.2	-27.3	0	0	0	113.6
130	C	27.1	Very low	33	Very low	109 Å²	109	136.5 Å²	136.5	74%	0.736	70%	0.703	S	S	*	*			trans	74.7	142.4	176.3	-61.8	0	0	0	0	116.4
131	R	29.3	Very low	32.5	Very low	227 Å²	227	139.3 Å²	139.3	86%	0.857	73%	0.725	S	S	*	*			cis	-151.1	166.2	-3	-125.8	169.6	-165.8	-179.5	2.9	112.7
132	N	29	Very low	32	Very low	137 Å²	137	142.5 Å²	142.5	73%	0.733	73%	0.734	S	S	*	*			trans	-58.2	157.2	-174.5	-40.2	0.6	0	0	0	114.3
133	D	36.3	Very low	31.7	Very low	171 Å²	171	144 Å²	144	91%	0.914	74%	0.742	S	S	*	*				-136.5	143.5	126.3	-106.1	-37.6	0	0	0	109.2
134	E	29.8	Very low	31.6	Very low	174 Å²	174	147.1 Å²	147.1	81%	0.813	75%	0.753	S	S	*	*			trans	-101.4	145.7	176.8	-68.9	-170.4	120	0	0	111
135	S	31.5	Very low	31.4	Very low	106 Å²	106	144 Å²	144	74%	0.741	75%	0.751	S	S	*	*				175.9	160.8	120.4	48.8	0	0	0	0	114.7
136	Q	35.1	Very low	31.1	Very low	167 Å²	167	146 Å²	146	78%	0.78	76%	0.755	S	S	*	*			trans	90.3	110.4	157.4	-46.6	-151.2	26.1	0	0	121.1
137	L	29.6	Very low	31	Very low	152 Å²	152	146.4 Å²	146.4	80%	0.796	75%	0.749	S	S	*	*			trans	85.2	61.5	133.9	-65.5	168.3	0	0	0	122.9
138	R	27.5	Very low	31	Very low	210 Å²	210	153.6 Å²	153.6	79%	0.792	76%	0.763	S	S	*	*				15.3	129.7	119.1	-75.2	177.1	175.6	-124.6	9.1	122.4
139	Q	30.8	Very low	31	Very low	145 Å²	145	147.4 Å²	147.4	68%	0.678	76%	0.76	S	S	*	*				85.4	157.5	124.7	-68.7	-179.1	-79.8	0	0	123.6
140	L	28.4	Very low	30.9	Very low	154 Å²	154	145.7 Å²	145.7	81%	0.806	76%	0.764	S	S	*	*			trans	84.9	111.5	171.1	-51.2	-179.9	0	0	0	115.3
141	S	30	Very low	31.2	Very low	92 Å²	92	147.8 Å²	147.8	64%	0.643	77%	0.767	S	S	*	*				79.3	137.8	55.3	76.9	0	0	0	0	113.4
142	H	33.6	Very low	31.5	Very low	154 Å²	154	142.4 Å²	142.4	71%	0.713	76%	0.761	S	S	*	*			cis	-154.7	161.5	18.6	-118	-71.1	0	0	0	110.8
143	D	33.6	Very low	31.6	Very low	133 Å²	133	146.4 Å²	146.4	71%	0.711	77%	0.768	S	S	*	*			trans	55.1	152	149.5	-53.6	-14.2	0	0	0	119.8
144	D	36.1	Very low	31.2	Very low	138 Å²	138	141.9 Å²	141.9	74%	0.738	76%	0.762	S	S	*	*			cis	-156.3	136.5	38.5	-144.4	-11.2	0	0	0	116.9
145	T	32.4	Very low	31.1	Very low	102 Å²	102	140.6 Å²	140.6	63%	0.626	77%	0.765	S	S	*	*			trans	30.4	127.9	147.5	49.8	0	0	0	0	128.4
146	L	30.5	Very low	31	Very low	130 Å²	130	141.6 Å²	141.6	68%	0.681	77%	0.767	S	S	*	*			trans	76.6	152.6	131.9	-57.4	167.7	0	0	0	120
147	K	30.5	Very low	30.6	Very low	152 Å²	152	142.7 Å²	142.7	66%	0.661	77%	0.772	S	S	*	*			cis	-160.2	152.9	0.7	-128.4	162.8	-177.1	136.2	0	114.6
148	R	29.5	Very low	30.5	Very low	240 Å²	240	146.1 Å²	146.1	91%	0.906	78%	0.776	S	S	*	*			trans	68.8	134	156.8	-65.4	179.1	175.7	-178.4	-2	119
149	G	29.3	Very low	30.5	Very low	84 Å²	84	141.3 Å²	141.3	87%	0.866	77%	0.766	S	S	*	*			trans	-165	-66.4	173.6	0	0	0	0	0	114.9
150	G	29.2	Very low	30.7	Very low	83 Å²	83	140 Å²	140	86%	0.856	77%	0.77	S	S	*	*			trans	106.3	131.5	177.5	0	0	0	0	0	114.6
151	L	34.1	Very low	31	Very low	152 Å²	152	136.7 Å²	136.7	80%	0.796	76%	0.756	S	S	*	*			trans	-132.6	152.8	176.5	-112.3	163.5	0	0	0	107.6
152	P	35.7	Very low	31.2	Very low	114 Å²	114	137 Å²	137	74%	0.74	75%	0.751	S	S	*	*				-143	121.4	104.9	30.2	-12	0	0	0	113.4
153	Y	30.6	Very low	31.2	Very low	222 Å²	222	135.5 Å²	135.5	87%	0.871	75%	0.748	S	S	*	*				82.2	129.5	101.7	-97.5	-88.9	0	0	0	115.7
154	G	28.4	Very low	31.3	Very low	76 Å²	76	133 Å²	133	78%	0.784	74%	0.741	S	S	*	*			trans	142.2	38	172.7	0	0	0	0	0	116.9
155	V	27.6	Very low	31.3	Very low	146 Å²	146	128.6 Å²	128.6	89%	0.885	72%	0.72	S	S	*	*			trans	-125	121.1	172.7	-179.5	0	0	0	0	109.3
156	T	28.8	Very low	31.4	Very low	127 Å²	127	129.9 Å²	129.9	78%	0.779	72%	0.719	S	S	*	*			trans	-116.6	123.1	172.9	47.9	0	0	0	0	109.7
157	E	26.6	Very low	31.7	Very low	190 Å²	190	129.4 Å²	129.4	89%	0.888	72%	0.717	S	S	*	*			trans	29.9	102.6	153.8	-63.1	175	137.1	0	0	118	N159	E157-N159 PolarHBondContact O-N 3.33Å
158	Y	27.5	Very low	31.9	Very low	224 Å²	224	125 Å²	125	88%	0.878	70%	0.704	S	S	*	*			trans	-80.4	107.7	169.6	-135.9	-95.7	0	0	0	109.7
159	N	27.7	Very low	31.9	Very low	109 Å²	109	117.3 Å²	117.3	58%	0.583	68%	0.68	S	S	*	*			trans	-86.5	122.8	-175.3	-157.7	-11.5	0	0	0	110.4	E157 T161	E157-N159 PolarHBondContact O-N 3.33Å; N159-T161 PolarHBondContact O-N 3.49Å; N159-T161 PolarHBondContact OD1-OG1 3.18Å
160	P	34.7	Very low	32.3	Very low	118 Å²	118	116.3 Å²	116.3	77%	0.766	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	2.3	-172.3	26.5	-35.7	0	0	0	115.5
161	T	35.7	Very low	32.7	Very low	84 Å²	84	121.4 Å²	121.4	52%	0.515	65%	0.654	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.8	-15.2	-177.8	45.2	0	0	0	0	114.9	N159 S164	N159-T161 PolarHBondContact O-N 3.49Å; N159-T161 PolarHBondContact OD1-OG1 3.18Å; T161-S164 PolarHBondContact O-OG 3.01Å
162	D	33.3	Very low	33.2	Very low	100 Å²	100	118 Å²	118	54%	0.535	64%	0.636	S	S	.	*	H	α-helix	trans	-87.3	-20.9	-167.4	-126.3	-15.4	0	0	0	115	S165	D162-S165 PolarHBondContact O-OG 3.43Å; D162-S165 PolarHBondContact OD1-OG 3.15Å
163	L	34.3	Very low	33.6	Very low	122 Å²	122	120.2 Å²	120.2	64%	0.639	64%	0.636	S	S	*	*	H	α-helix	trans	-79.7	-35.4	179.1	-119.2	73	0	0	0	112.9	S165 L167	L163-S165 VanDerWaalsContact C-N 3.32Å; L163-L167 PolarHBondContact O-N 3.4Å
164	S	34.1	Very low	34.3	Very low	81 Å²	81	120.4 Å²	120.4	57%	0.566	64%	0.635	S	S	*	*	H	α-helix	trans	-69.2	-33	175.9	58.7	0	0	0	0	111.6	T161 C168	T161-S164 PolarHBondContact O-OG 3.01Å; S164-C168 WeakPolarHBondContact O-CB 3.46Å; S164-C168 PolarHBondContact O-N 3.21Å
165	S	37.1	Very low	35.4	Very low	44 Å²	44	120.7 Å²	120.7	31%	0.308	63%	0.625	S	S	.	*	H	α-helix	trans	-62.5	-49	178.7	83.9	0	0	0	0	111.7	D162 L163 C168 M169	D162-S165 PolarHBondContact O-OG 3.43Å; D162-S165 PolarHBondContact OD1-OG 3.15Å; L163-S165 VanDerWaalsContact C-N 3.32Å; S165-C168 PolarHBondContact O-N 3.19Å; S165-M169 VanDerWaalsContact O-CB 3.32Å; S165-M169 WeakPolarHBondContact O-CB 3.43Å; S165-M169 WeakPolarHBondContact O-CG 3.22Å; S165-M169 PolarHBondContact O-N 3.13Å
166	Q	33.4	Very low	37.1	Very low	130 Å²	130	122.2 Å²	122.2	61%	0.607	62%	0.62	S	S	*	*	H	α-helix	trans	-74.3	-38.4	-174.3	-61.9	-174.2	20.9	0	0	113	S170	Q166-S170 WeakPolarHBondContact O-CB 3.36Å; Q166-S170 PolarHBondContact O-N 3.32Å; Q166-S170 PolarHBondContact O-OG 3.15Å
167	L	37.1	Very low	39.2	Very low	119 Å²	119	119.5 Å²	119.5	62%	0.623	60%	0.604	S	S	*	*	H	α-helix	trans	-66.2	-41.8	173.6	-73.6	169.3	0	0	0	111.4	L163 S170 Y171	L163-L167 PolarHBondContact O-N 3.4Å; L167-S170 PolarHBondContact O-OG 3.31Å; L167-S170 VanDerWaalsContact O-OG 3.08Å; L167-Y171 PolarHBondContact O-N 3.09Å; L167-Y171 VanDerWaalsContact O-N 3.16Å
168	C	34.7	Very low	41.5	Very low	59 Å²	59	113.7 Å²	113.7	40%	0.399	58%	0.583	S	S	.	*	H	α-helix	trans	-66.7	-46.4	176.8	-171.5	0	0	0	0	112.2	S164 S165 S170 Y171 I172	S164-C168 WeakPolarHBondContact O-CB 3.46Å; S164-C168 PolarHBondContact O-N 3.21Å; S165-C168 PolarHBondContact O-N 3.19Å; C168-S170 VanDerWaalsContact C-N 3.34Å; C168-S170 PolarHBondContact O-N 2.97Å; C168-Y171 PolarHBondContact O-N 3.43Å; C168-I172 WeakPolarHBondContact O-CG1 3.32Å; C168-I172 PolarHBondContact O-N 3.44Å
169	M	31	Very low	44.4	Very low	80 Å²	80	109.4 Å²	109.4	39%	0.394	57%	0.569	S	S	.	*	H	α-helix	trans	-63.8	-36.1	179.3	-71.6	-67.6	-70.1	0	0	112.9	R118 S165 H173	R118-M169 PolarHBondContact NH2-SD 3.41Å; R118-M169 VanDerWaalsContact NH2-SD 3.45Å; S165-M169 VanDerWaalsContact O-CB 3.32Å; S165-M169 WeakPolarHBondContact O-CB 3.43Å; S165-M169 WeakPolarHBondContact O-CG 3.22Å; S165-M169 PolarHBondContact O-N 3.13Å; M169-H173 WeakPolarHBondContact O-CB 3.36Å; M169-H173 PolarHBondContact O-N 2.87Å
170	S	37.5	Very low	47.4	Very low	63 Å²	63	107 Å²	107	44%	0.441	56%	0.558	S	S	.	*	H	α-helix	trans	-73.5	-27.1	176.3	55.9	0	0	0	0	113.5	Q166 L167 C168	Q166-S170 WeakPolarHBondContact O-CB 3.36Å; Q166-S170 PolarHBondContact O-N 3.32Å; Q166-S170 PolarHBondContact O-OG 3.15Å; L167-S170 PolarHBondContact O-OG 3.31Å; L167-S170 VanDerWaalsContact O-OG 3.08Å; C168-S170 VanDerWaalsContact C-N 3.34Å; C168-S170 PolarHBondContact O-N 2.97Å
171	Y	35.9	Very low	50.1	Low	190 Å²	190	101.9 Å²	101.9	75%	0.745	52%	0.524	S	S	*	.	H	α-helix	trans	-71.2	-49	168.6	-122.5	-92.1	0	0	0	111.9	L167 C168 H173 R174 S175	L167-Y171 PolarHBondContact O-N 3.09Å; L167-Y171 VanDerWaalsContact O-N 3.16Å; C168-Y171 PolarHBondContact O-N 3.43Å; Y171-H173 PolarHBondContact O-N 2.95Å; Y171-R174 PolarHBondContact O-N 2.93Å; Y171-R174 VanDerWaalsContact O-N 3.13Å; Y171-S175 PolarHBondContact O-N 3.22Å
172	I	44.9	Very low	52.6	Low	80 Å²	80	99.8 Å²	99.8	41%	0.41	52%	0.515	S	S	.	.	H	α-helix	trans	-57.8	-47.3	-179.6	-70.6	167.5	0	0	0	110.6	C168 R174 S175	C168-I172 WeakPolarHBondContact O-CG1 3.32Å; C168-I172 PolarHBondContact O-N 3.44Å; I172-R174 PolarHBondContact O-N 3.28Å; I172-S175 PolarHBondContact O-N 3.16Å; I172-S175 PolarHBondContact O-OG 3.42Å
173	H	44.7	Very low	55.2	Low	161 Å²	161	101.2 Å²	101.2	75%	0.745	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-8.3	-179.9	-98.9	-65.2	0	0	0	115.8	M169 Y171	M169-H173 WeakPolarHBondContact O-CB 3.36Å; M169-H173 PolarHBondContact O-N 2.87Å; Y171-H173 PolarHBondContact O-N 2.95Å
174	R	44.8	Very low	57.9	Low	226 Å²	226	99.6 Å²	99.6	85%	0.853	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-15.7	177.6	-69.3	-176.1	174.6	-157.7	0.1	113.9	Y171 I172	Y171-R174 PolarHBondContact O-N 2.93Å; Y171-R174 VanDerWaalsContact O-N 3.13Å; I172-R174 PolarHBondContact O-N 3.28Å
175	S	51.5	Low	60.7	Low	81 Å²	81	95.9 Å²	95.9	57%	0.566	48%	0.482	S	S	*	.	S	Bend	trans	-78.2	139.6	177.4	69.6	0	0	0	0	111.7	Y171 I172	Y171-S175 PolarHBondContact O-N 3.22Å; I172-S175 PolarHBondContact O-N 3.16Å; I172-S175 PolarHBondContact O-OG 3.42Å
176	K	64.8	Low	63.5	Low	179 Å²	179	96.4 Å²	96.4	78%	0.778	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-85.6	139.6	169.9	-72.9	170.2	-179.1	165.5	0	108.2
177	P	71.4	Confident	66.4	Low	69 Å²	69	91.4 Å²	91.4	45%	0.448	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-56.8	146	-175.9	21.2	-32.7	0	0	0	111.9	K179	P177-K179 PolarHBondContact O-N 2.76Å
178	P	75.9	Confident	68.9	Low	68 Å²	68	87.6 Å²	87.6	44%	0.442	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-59.2	135.2	-179.9	25.6	-33.5	0	0	0	110	V180 L186	P178-V180 PolarHBondContact O-N 3.17Å; P178-L186 HydrophobicContact CB-CD1 3.79Å
179	K	88.9	Confident	71.6	Confident	134 Å²	134	88.3 Å²	88.3	58%	0.583	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	99.5	-173.2	-61.2	-163	177.5	-126.5	0	110.5	P177 L187	P177-K179 PolarHBondContact O-N 2.76Å; K179-L187 VanDerWaalsContact O-CB 3.24Å; K179-L187 WeakPolarHBondContact O-CB 3.43Å; K179-L187 WeakPolarHBondContact O-CG 3.42Å; K179-L187 PolarHBondContact O-N 2.96Å
180	V	89.9	Confident	74.4	Confident	60 Å²	60	87.3 Å²	87.3	36%	0.364	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	140.3	169.8	-170.5	0	0	0	0	109.6	P178 F185 L186 L205	P178-V180 PolarHBondContact O-N 3.17Å; V180-F185 CarbonylContact C-O 3.55Å; V180-L186 HydrophobicContact CG2-CD1 4.35Å; V180-L205 HydrophobicContact CG1-CD1 3.93Å; V180-L205 HydrophobicContact CG2-CD1 4.36Å
181	L	90.7	Very high	76.7	Confident	9 Å²	9	86.9 Å²	86.9	5%	0.047	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.8	176.5	168.3	64.9	0	0	0	109.2	N183 R184 F185 L187 V213 L254 L256 C263	L181-N183 PolarHBondContact O-N 2.59Å; L181-R184 PolarHBondContact O-N 2.96Å; L181-F185 HydrophobicContact CB-CB 4.11Å; L181-F185 PolarHBondContact N-O 3.42Å; L181-F185 PolarHBondContact O-N 3.22Å; L181-L187 HydrophobicContact CB-CD1 3.97Å; L181-L187 HydrophobicContact CB-CD2 4.09Å; L181-L187 HydrophobicContact CB-CG 3.97Å; L181-L187 HydrophobicContact CD2-CD2 4.02Å; L181-V213 HydrophobicContact CD2-CG1 3.83Å; L181-L254 HydrophobicContact CD1-CD1 4.24Å; L181-L254 HydrophobicContact CD2-CD1 3.98Å; L181-L254 HydrophobicContact CG-CD1 3.86Å; L181-L256 HydrophobicContact CD1-CD1 3.7Å; L181-L256 HydrophobicContact CD1-CD2 3.78Å; L181-L256 HydrophobicContact CD1-CG 4.17Å; L181-C263 HydrophobicContact CD2-CB 4.15Å
182	A	88.7	Confident	79	Confident	40 Å²	40	79 Å²	79	33%	0.331	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	39.9	-179	0	0	0	0	0	113.6	R184 L254	A182-R184 WeakPolarHBondContact O-CB 3.28Å; A182-R184 PolarHBondContact O-N 2.92Å; A182-L254 HydrophobicContact CB-CD1 3.91Å; A182-L254 HydrophobicContact CB-CD2 4.38Å
183	N	88.2	Confident	80.8	Confident	130 Å²	130	84.1 Å²	84.1	70%	0.695	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	20.9	-176.9	-62.7	12.4	0	0	0	115.1	L181	L181-N183 PolarHBondContact O-N 2.59Å
184	R	91.2	Very high	82.2	Confident	88 Å²	88	78.7 Å²	78.7	33%	0.332	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.7	-43.6	-172	176.4	161.4	-177	-166.4	-3.3	113.8	L181 A182 D204 L205 F206	L181-R184 PolarHBondContact O-N 2.96Å; A182-R184 WeakPolarHBondContact O-CB 3.28Å; A182-R184 PolarHBondContact O-N 2.92Å; R184-D204 WeakPolarHBondContact CG-OD1 3.42Å; R184-D204 IonicContact CZ-OD1 3.68Å; R184-D204 IonicContact CZ-OD2 3.22Å; R184-D204 VanDerWaalsContact NE-CG 3.34Å; R184-D204 IonicContact NE-OD1 2.66Å; R184-D204 PolarHBondContact NE-OD1 2.79Å; R184-D204 IonicContact NE-OD2 2.68Å; R184-D204 PolarHBondContact NE-OD2 2.99Å; R184-D204 IonicContact NH2-OD1 3.74Å; R184-D204 IonicContact NH2-OD2 2.75Å; R184-D204 PolarHBondContact NH2-OD2 2.69Å; R184-L205 WeakPolarHBondContact O-CB 3.37Å; R184-L205 VanDerWaalsContact O-CG 3.3Å; R184-L205 WeakPolarHBondContact O-CG 3.26Å; R184-L205 PolarHBondContact O-N 3.18Å; R184-F206 HydrophobicContact CB-CD2 4.32Å; R184-F206 HydrophobicContact CB-CE2 4Å; R184-F206 HydrophobicContact CG-CD2 3.75Å; R184-F206 HydrophobicContact CG-CE2 3.93Å
185	F	93.5	Very high	83.4	Confident	4 Å²	4	70.6 Å²	70.6	2%	0.018	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	101.7	-170	-62.3	-73.6	0	0	0	110.6	V180 L181 L187 I203 D204 V252 L254 V265	V180-F185 CarbonylContact C-O 3.55Å; L181-F185 HydrophobicContact CB-CB 4.11Å; L181-F185 PolarHBondContact N-O 3.42Å; L181-F185 PolarHBondContact O-N 3.22Å; F185-L187 PolarHBondContact O-N 3.18Å; F185-I203 CarbonylContact C-O 3.47Å; F185-I203 WeakPolarHBondContact CA-O 3.38Å; F185-D204 HydrophobicContact CD1-CB 4.05Å; F185-D204 HydrophobicContact CE1-CB 3.85Å; F185-V252 HydrophobicContact CE2-CG1 3.77Å; F185-V252 HydrophobicContact CZ-CG1 3.87Å; F185-L254 HydrophobicContact CD2-CD1 4.16Å; F185-L254 HydrophobicContact CE2-CD1 4.29Å; F185-V265 HydrophobicContact CD1-CG1 4.05Å; F185-V265 HydrophobicContact CD2-CG2 4.17Å; F185-V265 HydrophobicContact CE1-CG1 3.73Å; F185-V265 HydrophobicContact CE2-CG2 4.12Å; F185-V265 HydrophobicContact CG-CG2 4.49Å; F185-V265 HydrophobicContact CZ-CG1 3.98Å; F185-V265 HydrophobicContact CZ-CG2 4.4Å
186	L	94.9	Very high	84.7	Confident	55 Å²	55	67.6 Å²	67.6	29%	0.288	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	116	174.2	173.1	60.2	0	0	0	108.9	P178 V180 S202 I203 L205	P178-L186 HydrophobicContact CB-CD1 3.79Å; V180-L186 HydrophobicContact CG2-CD1 4.35Å; L186-S202 CarbonylContact O-C 3.59Å; L186-S202 WeakPolarHBondContact O-CA 3.47Å; L186-S202 WeakPolarHBondContact O-CB 3.4Å; L186-S202 PolarHBondContact O-OG 3.15Å; L186-I203 PolarHBondContact N-O 3.37Å; L186-I203 PolarHBondContact O-N 2.95Å; L186-L205 HydrophobicContact CB-CD1 4.45Å; L186-L205 HydrophobicContact CB-CD2 4Å; L186-L205 HydrophobicContact CB-CG 4.21Å; L186-L205 HydrophobicContact CD2-CD2 4.34Å
187	L	93.9	Very high	85.6	Confident	24 Å²	24	60.2 Å²	60.2	13%	0.126	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	105.1	-172.3	-56.7	176.6	0	0	0	112.7	K179 L181 F185 K200 D201 V213 I215	K179-L187 VanDerWaalsContact O-CB 3.24Å; K179-L187 WeakPolarHBondContact O-CB 3.43Å; K179-L187 WeakPolarHBondContact O-CG 3.42Å; K179-L187 PolarHBondContact O-N 2.96Å; L181-L187 HydrophobicContact CB-CD1 3.97Å; L181-L187 HydrophobicContact CB-CD2 4.09Å; L181-L187 HydrophobicContact CB-CG 3.97Å; L181-L187 HydrophobicContact CD2-CD2 4.02Å; F185-L187 PolarHBondContact O-N 3.18Å; L187-K200 VanDerWaalsContact C-NZ 3.34Å; L187-K200 VanDerWaalsContact CB-NZ 3.31Å; L187-K200 PolarHBondContact O-NZ 2.44Å; L187-D201 CarbonylContact C-O 3.55Å; L187-V213 HydrophobicContact CD2-CB 4.08Å; L187-V213 HydrophobicContact CD2-CG1 4.29Å; L187-V213 HydrophobicContact CD2-CG2 3.8Å; L187-I215 HydrophobicContact CD1-CD1 4.11Å
188	G	91.1	Very high	86.5	Confident	39 Å²	39	62 Å²	62	40%	0.402	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	-136.8	179.2	0	0	0	0	0	115.8	K200 D201	G188-K200 PolarHBondContact O-NZ 3.23Å; G188-D201 PolarHBondContact N-O 2.77Å
189	S	89.9	Confident	87.3	Confident	74 Å²	74	60.3 Å²	60.3	52%	0.517	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	175	-177.8	71.7	0	0	0	0	112.8	K200 D201	S189-K200 CarbonylContact O-C 3.58Å; S189-K200 WeakPolarHBondContact O-CA 3.31Å; S189-K200 WeakPolarHBondContact O-CB 3.18Å; S189-D201 PolarHBondContact O-N 3.09Å
190	T	90.3	Very high	87.5	Confident	60 Å²	60	55.6 Å²	55.6	37%	0.368	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	105.7	169.8	-57	0	0	0	0	108.6	G192 R193 K198 V199	T190-G192 WeakPolarHBondContact CG2-O 3.37Å; T190-R193 HydrophobicContact CG2-CG 4.03Å; T190-K198 HydrophobicContact CG2-CB 4.16Å; T190-K198 HydrophobicContact CG2-CD 4.43Å; T190-V199 CarbonylContact C-O 3.55Å
191	I	86.8	Confident	87.7	Confident	53 Å²	53	53.5 Å²	53.5	27%	0.272	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-19.8	-177.3	56.7	176.2	0	0	0	113.4	V199 D201 A212	I191-V199 HydrophobicContact CD1-CG1 3.98Å; I191-V199 HydrophobicContact CG1-CB 4.23Å; I191-V199 HydrophobicContact CG1-CG1 3.84Å; I191-V199 PolarHBondContact N-O 2.69Å; I191-D201 HydrophobicContact CG2-CB 3.83Å; I191-A212 HydrophobicContact CD1-CB 4.22Å
192	G	83.3	Confident	87.8	Confident	26 Å²	26	53.1 Å²	53.1	27%	0.268	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	159	176.7	0	0	0	0	0	113.7	T190 V199	T190-G192 WeakPolarHBondContact CG2-O 3.37Å; G192-V199 PolarHBondContact N-O 2.76Å; G192-V199 VanDerWaalsContact N-O 3.14Å; G192-V199 PolarHBondContact O-N 2.46Å
193	R	82.1	Confident	88	Confident	187 Å²	187	54.4 Å²	54.4	71%	0.706	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.4	125.2	172.9	-58.3	-176.1	-173.4	174	6.2	108.6	T190 K198	T190-R193 HydrophobicContact CG2-CG 4.03Å; R193-K198 HydrophobicContact CG-CG 4.34Å
194	G	73.6	Confident	88.2	Confident	47 Å²	47	48.2 Å²	48.2	49%	0.485	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	173.9	176.2	0	0	0	0	0	110.9	Y196 G197	G194-Y196 PolarHBondContact O-N 3.04Å; G194-Y196 VanDerWaalsContact O-N 3.13Å; G194-G197 PolarHBondContact N-O 2.67Å; G194-G197 PolarHBondContact O-N 2.92Å
195	S	71.7	Confident	88.1	Confident	55 Å²	55	46.6 Å²	46.6	39%	0.385	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-33.5	-173.4	-50	0	0	0	0	113.3	V43 I224	V43-S195 PolarHBondContact O-OG 2.94Å; S195-I224 WeakPolarHBondContact O-CD1 3.3Å
196	Y	77.8	Confident	87.8	Confident	19 Å²	19	53.3 Å²	53.3	8%	0.075	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-21.2	179.1	-55.8	-77.7	0	0	0	114.9	G194 V221 I224 Q230 G489	G194-Y196 PolarHBondContact O-N 3.04Å; G194-Y196 VanDerWaalsContact O-N 3.13Å; Y196-V221 HydrophobicContact CD1-CG1 4.08Å; Y196-V221 VanDerWaalsContact O-CG1 3.3Å; Y196-V221 WeakPolarHBondContact O-CG1 3.43Å; Y196-I224 HydrophobicContact CD1-CD1 4.04Å; Y196-I224 HydrophobicContact CE1-CD1 4.23Å; Y196-I224 HydrophobicContact CE1-CG2 4.41Å; Y196-Q230 HydrophobicContact CE1-CB 4.05Å; Y196-Q230 PolarHBondContact OH-OE1 2.55Å; Y196-Q230 VanDerWaalsContact OH-OE1 3.12Å; Y196-G489 PolarHBondContact OH-O 3.37Å
197	G	83.2	Confident	87.5	Confident	23 Å²	23	53.9 Å²	53.9	24%	0.237	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.3	-157.4	-166.5	0	0	0	0	0	116.2	G194 I215	G194-G197 PolarHBondContact N-O 2.67Å; G194-G197 PolarHBondContact O-N 2.92Å; G197-I215 WeakPolarHBondContact CA-O 3.31Å
198	K	90.7	Very high	87.3	Confident	107 Å²	107	58.4 Å²	58.4	47%	0.465	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	135.2	-175.7	-61.3	-175.5	-179.1	179.1	0	110.5	T190 R193 I215	T190-K198 HydrophobicContact CG2-CB 4.16Å; T190-K198 HydrophobicContact CG2-CD 4.43Å; R193-K198 HydrophobicContact CG-CG 4.34Å; K198-I215 PolarHBondContact N-O 3.19Å; K198-I215 PolarHBondContact O-N 2.88Å
199	V	92.5	Very high	87	Confident	33 Å²	33	65 Å²	65	20%	0.2	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	124.4	169.9	-170.8	0	0	0	0	108.3	T190 I191 G192 A212 V213 K214 M266	T190-V199 CarbonylContact C-O 3.55Å; I191-V199 HydrophobicContact CD1-CG1 3.98Å; I191-V199 HydrophobicContact CG1-CB 4.23Å; I191-V199 HydrophobicContact CG1-CG1 3.84Å; I191-V199 PolarHBondContact N-O 2.69Å; G192-V199 PolarHBondContact N-O 2.76Å; G192-V199 VanDerWaalsContact N-O 3.14Å; G192-V199 PolarHBondContact O-N 2.46Å; V199-A212 HydrophobicContact CG1-CB 4.06Å; V199-V213 CarbonylContact C-O 3.58Å; V199-V213 WeakPolarHBondContact CA-O 3.45Å; V199-K214 HydrophobicContact CG2-CB 4.4Å; V199-K214 HydrophobicContact CG2-CG 4.19Å; V199-M266 HydrophobicContact CG1-CE 4.48Å
200	K	94.3	Very high	87	Confident	35 Å²	35	66.3 Å²	66.3	15%	0.152	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	146.1	174.8	-64.9	-179	91	-80.8	0	110.5	L187 G188 S189 V213 I215	L187-K200 VanDerWaalsContact C-NZ 3.34Å; L187-K200 VanDerWaalsContact CB-NZ 3.31Å; L187-K200 PolarHBondContact O-NZ 2.44Å; G188-K200 PolarHBondContact O-NZ 3.23Å; S189-K200 CarbonylContact O-C 3.58Å; S189-K200 WeakPolarHBondContact O-CA 3.31Å; S189-K200 WeakPolarHBondContact O-CB 3.18Å; K200-V213 PolarHBondContact N-O 3.27Å; K200-V213 PolarHBondContact O-N 2.87Å; K200-I215 HydrophobicContact CD-CD1 3.72Å; K200-I215 HydrophobicContact CG-CD1 4.33Å
201	D	92.4	Very high	87.2	Confident	15 Å²	15	64.4 Å²	64.4	8%	0.08	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	153	162.1	-176.1	28	0	0	0	109.4	L187 G188 S189 I191 R210 H268	L187-D201 CarbonylContact C-O 3.55Å; G188-D201 PolarHBondContact N-O 2.77Å; S189-D201 PolarHBondContact O-N 3.09Å; I191-D201 HydrophobicContact CG2-CB 3.83Å; D201-R210 WeakPolarHBondContact OD1-CG 3.16Å; D201-R210 IonicContact OD1-CZ 2.7Å; D201-R210 IonicContact OD1-NE 2.7Å; D201-R210 PolarHBondContact OD1-NE 3.45Å; D201-R210 IonicContact OD1-NH2 3.9Å; D201-R210 IonicContact OD2-CZ 3.5Å; D201-R210 IonicContact OD2-NE 3.32Å; D201-R210 PolarHBondContact OD2-NE 3.35Å; D201-R210 IonicContact OD2-NH2 2.86Å; D201-R210 PolarHBondContact OD2-NH2 2.97Å; D201-H268 IonicContact OD1-CD2 3.03Å; D201-H268 IonicContact OD1-NE2 2.71Å
202	S	94.6	Very high	87.6	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.007	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	155.7	-179.3	-165.4	0	0	0	0	113.1	L186 R210 H211	L186-S202 CarbonylContact O-C 3.59Å; L186-S202 WeakPolarHBondContact O-CA 3.47Å; L186-S202 WeakPolarHBondContact O-CB 3.4Å; L186-S202 PolarHBondContact O-OG 3.15Å; S202-R210 CarbonylContact O-C 3.56Å; S202-R210 WeakPolarHBondContact O-CA 3.45Å; S202-H211 PolarHBondContact N-O 3.49Å; S202-H211 PolarHBondContact O-N 3.43Å
203	I	92.8	Very high	88.2	Confident	67 Å²	67	61 Å²	61	34%	0.344	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.7	169.9	-58.5	173.8	0	0	0	108.3	F185 L186 L205 R209	F185-I203 CarbonylContact C-O 3.47Å; F185-I203 WeakPolarHBondContact CA-O 3.38Å; L186-I203 PolarHBondContact N-O 3.37Å; L186-I203 PolarHBondContact O-N 2.95Å; I203-L205 PolarHBondContact O-N 3.09Å; I203-R209 WeakPolarHBondContact CA-O 3.39Å
204	D	91.1	Very high	88.8	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	112	167.8	175.3	12.2	0	0	0	109.5	R184 F185 F206 T207 L208 R209	R184-D204 WeakPolarHBondContact CG-OD1 3.42Å; R184-D204 IonicContact CZ-OD1 3.68Å; R184-D204 IonicContact CZ-OD2 3.22Å; R184-D204 VanDerWaalsContact NE-CG 3.34Å; R184-D204 IonicContact NE-OD1 2.66Å; R184-D204 PolarHBondContact NE-OD1 2.79Å; R184-D204 IonicContact NE-OD2 2.68Å; R184-D204 PolarHBondContact NE-OD2 2.99Å; R184-D204 IonicContact NH2-OD1 3.74Å; R184-D204 IonicContact NH2-OD2 2.75Å; R184-D204 PolarHBondContact NH2-OD2 2.69Å; F185-D204 HydrophobicContact CD1-CB 4.05Å; F185-D204 HydrophobicContact CE1-CB 3.85Å; D204-F206 PolarHBondContact O-N 2.92Å; D204-F206 VanDerWaalsContact O-N 3.15Å; D204-F206 PolarHBondContact OD1-N 2.95Å; D204-T207 WeakPolarHBondContact CB-OG1 3.39Å; D204-T207 VanDerWaalsContact CG-OG1 3.23Å; D204-T207 PolarHBondContact O-N 3.31Å; D204-T207 VanDerWaalsContact OD2-CG2 3.31Å; D204-T207 WeakPolarHBondContact OD2-CG2 3.29Å; D204-T207 PolarHBondContact OD2-OG1 3.07Å; D204-L208 VanDerWaalsContact O-CA 3.23Å; D204-L208 WeakPolarHBondContact O-CA 3.42Å; D204-L208 PolarHBondContact O-N 3.24Å; D204-R209 PolarHBondContact N-O 3.36Å
205	L	90.3	Very high	89.7	Confident	54 Å²	54	52.4 Å²	52.4	28%	0.283	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.8	-173.6	-67.4	170.4	0	0	0	114	V180 R184 L186 I203	V180-L205 HydrophobicContact CG1-CD1 3.93Å; V180-L205 HydrophobicContact CG2-CD1 4.36Å; R184-L205 WeakPolarHBondContact O-CB 3.37Å; R184-L205 VanDerWaalsContact O-CG 3.3Å; R184-L205 WeakPolarHBondContact O-CG 3.26Å; R184-L205 PolarHBondContact O-N 3.18Å; L186-L205 HydrophobicContact CB-CD1 4.45Å; L186-L205 HydrophobicContact CB-CD2 4Å; L186-L205 HydrophobicContact CB-CG 4.21Å; L186-L205 HydrophobicContact CD2-CD2 4.34Å; I203-L205 PolarHBondContact O-N 3.09Å
206	F	87.6	Confident	90.8	Very high	145 Å²	145	49.8 Å²	49.8	64%	0.636	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-32	176.4	-63.1	-78.4	0	0	0	113.7	R184 D204	R184-F206 HydrophobicContact CB-CD2 4.32Å; R184-F206 HydrophobicContact CB-CE2 4Å; R184-F206 HydrophobicContact CG-CD2 3.75Å; R184-F206 HydrophobicContact CG-CE2 3.93Å; D204-F206 PolarHBondContact O-N 2.92Å; D204-F206 VanDerWaalsContact O-N 3.15Å; D204-F206 PolarHBondContact OD1-N 2.95Å
207	T	87.6	Confident	91.4	Very high	67 Å²	67	50.2 Å²	50.2	41%	0.411	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-7	-175.8	66.4	0	0	0	0	113.6	D204 R209	D204-T207 WeakPolarHBondContact CB-OG1 3.39Å; D204-T207 VanDerWaalsContact CG-OG1 3.23Å; D204-T207 PolarHBondContact O-N 3.31Å; D204-T207 VanDerWaalsContact OD2-CG2 3.31Å; D204-T207 WeakPolarHBondContact OD2-CG2 3.29Å; D204-T207 PolarHBondContact OD2-OG1 3.07Å; T207-R209 PolarHBondContact O-N 2.83Å; T207-R209 WeakPolarHBondContact OG1-CB 3.34Å; T207-R209 PolarHBondContact OG1-N 2.92Å
208	L	88.8	Confident	91.8	Very high	119 Å²	119	52.2 Å²	52.2	62%	0.623	25%	0.245	S	C	*	.			trans	54.5	12.9	-170.5	-54.4	-178.5	0	0	0	114.6	D204	D204-L208 VanDerWaalsContact O-CA 3.23Å; D204-L208 WeakPolarHBondContact O-CA 3.42Å; D204-L208 PolarHBondContact O-N 3.24Å
209	R	85.4	Confident	91.7	Very high	176 Å²	176	52.2 Å²	52.2	66%	0.664	25%	0.249	S	C	*	.			trans	-77.3	142.3	-179.7	-68.3	179.2	176.6	-175.1	-1.6	111.5	I203 D204 T207 H211	I203-R209 WeakPolarHBondContact CA-O 3.39Å; D204-R209 PolarHBondContact N-O 3.36Å; T207-R209 PolarHBondContact O-N 2.83Å; T207-R209 WeakPolarHBondContact OG1-CB 3.34Å; T207-R209 PolarHBondContact OG1-N 2.92Å; R209-H211 PolarHBondContact O-CD2 2.94Å; R209-H211 VanDerWaalsContact O-CD2 3.27Å
210	R	90.4	Very high	91.4	Very high	103 Å²	103	52.7 Å²	52.7	39%	0.389	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	135	176.3	-154.9	178	-167.5	152.8	7.2	110.9	D201 S202 H268	D201-R210 WeakPolarHBondContact OD1-CG 3.16Å; D201-R210 IonicContact OD1-CZ 2.7Å; D201-R210 IonicContact OD1-NE 2.7Å; D201-R210 PolarHBondContact OD1-NE 3.45Å; D201-R210 IonicContact OD1-NH2 3.9Å; D201-R210 IonicContact OD2-CZ 3.5Å; D201-R210 IonicContact OD2-NE 3.32Å; D201-R210 PolarHBondContact OD2-NE 3.35Å; D201-R210 IonicContact OD2-NH2 2.86Å; D201-R210 PolarHBondContact OD2-NH2 2.97Å; S202-R210 CarbonylContact O-C 3.56Å; S202-R210 WeakPolarHBondContact O-CA 3.45Å; R210-H268 HydrophobicContact CB-CB 4.21Å; R210-H268 HydrophobicContact CG-CB 4.23Å; R210-H268 VanDerWaalsContact O-CB 3.31Å; R210-H268 WeakPolarHBondContact O-CB 3.43Å
211	H	93.8	Very high	91	Very high	19 Å²	19	51.1 Å²	51.1	9%	0.088	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	157.2	-174.4	-75.2	-68.7	0	0	0	111.8	S202 R209 V265 M266	S202-H211 PolarHBondContact N-O 3.49Å; S202-H211 PolarHBondContact O-N 3.43Å; R209-H211 PolarHBondContact O-CD2 2.94Å; R209-H211 VanDerWaalsContact O-CD2 3.27Å; H211-V265 HydrophobicContact CB-CG1 4.05Å; H211-M266 WeakPolarHBondContact CA-O 3.04Å; H211-M266 WeakPolarHBondContact CB-O 3.45Å; H211-M266 PolarHBondContact ND1-O 3.46Å
212	A	95.3	Very high	90.7	Very high	7 Å²	7	59.3 Å²	59.3	6%	0.058	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.7	171.9	0	0	0	0	0	109.9	I191 V199 M266	I191-A212 HydrophobicContact CD1-CB 4.22Å; V199-A212 HydrophobicContact CG1-CB 4.06Å; A212-M266 HydrophobicContact CB-CE 4.11Å; A212-M266 PolarHBondContact N-O 3.05Å; A212-M266 VanDerWaalsContact N-O 3.07Å; A212-M266 PolarHBondContact O-N 2.85Å
213	V	95.6	Very high	90.2	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	107.9	-178	-172.5	0	0	0	0	110.6	L181 L187 V199 K200 I215 C263 L264 V265	L181-V213 HydrophobicContact CD2-CG1 3.83Å; L187-V213 HydrophobicContact CD2-CB 4.08Å; L187-V213 HydrophobicContact CD2-CG1 4.29Å; L187-V213 HydrophobicContact CD2-CG2 3.8Å; V199-V213 CarbonylContact C-O 3.58Å; V199-V213 WeakPolarHBondContact CA-O 3.45Å; K200-V213 PolarHBondContact N-O 3.27Å; K200-V213 PolarHBondContact O-N 2.87Å; V213-I215 HydrophobicContact CG1-CD1 4.42Å; V213-I215 HydrophobicContact CG1-CG1 3.83Å; V213-I215 PolarHBondContact O-N 3.29Å; V213-C263 HydrophobicContact CG1-CB 4.16Å; V213-L264 CarbonylContact C-O 3.47Å; V213-L264 WeakPolarHBondContact CA-O 3.38Å; V213-V265 HydrophobicContact CG1-CG2 4.36Å; V213-V265 HydrophobicContact CG2-CG1 4.32Å; V213-V265 HydrophobicContact CG2-CG2 4.18Å
214	K	94.6	Very high	89.7	Confident	22 Å²	22	65.9 Å²	65.9	10%	0.096	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	102.9	174	-164.2	-177.7	-161.9	-172.8	0	108.7	V199 I216 E234 C263 L264 M266 D487	V199-K214 HydrophobicContact CG2-CB 4.4Å; V199-K214 HydrophobicContact CG2-CG 4.19Å; K214-I216 HydrophobicContact CD-CD1 4.26Å; K214-I216 HydrophobicContact CG-CD1 4.41Å; K214-I216 HydrophobicContact CG-CG1 4.29Å; K214-E234 IonicContact NZ-OE1 3.87Å; K214-E234 PolarHBondContact NZ-OE1 3.42Å; K214-E234 IonicContact NZ-OE2 3.75Å; K214-E234 PolarHBondContact NZ-OE2 3.3Å; K214-C263 WeakPolarHBondContact O-CA 3.3Å; K214-L264 HydrophobicContact CB-CB 4.16Å; K214-L264 HydrophobicContact CD-CD1 4.25Å; K214-L264 PolarHBondContact N-O 3.28Å; K214-L264 PolarHBondContact O-N 3.34Å; K214-M266 HydrophobicContact CB-CE 3.85Å; K214-M266 HydrophobicContact CB-SD 4.5Å; K214-D487 IonicContact NZ-OD1 2.65Å; K214-D487 PolarHBondContact NZ-OD1 3.03Å
215	I	93.8	Very high	89.2	Confident	32 Å²	32	70.7 Å²	70.7	16%	0.164	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	109.2	-179.2	-54.4	-179	0	0	0	109.3	L187 G197 K198 K200 V213	L187-I215 HydrophobicContact CD1-CD1 4.11Å; G197-I215 WeakPolarHBondContact CA-O 3.31Å; K198-I215 PolarHBondContact N-O 3.19Å; K198-I215 PolarHBondContact O-N 2.88Å; K200-I215 HydrophobicContact CD-CD1 3.72Å; K200-I215 HydrophobicContact CG-CD1 4.33Å; V213-I215 HydrophobicContact CG1-CD1 4.42Å; V213-I215 HydrophobicContact CG1-CG1 3.83Å; V213-I215 PolarHBondContact O-N 3.29Å
216	I	93.4	Very high	88.8	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	138.3	178.7	-57.7	175.2	0	0	0	108.2	K214 V221 W228 A231 R261 L262	K214-I216 HydrophobicContact CD-CD1 4.26Å; K214-I216 HydrophobicContact CG-CD1 4.41Å; K214-I216 HydrophobicContact CG-CG1 4.29Å; I216-V221 HydrophobicContact CG2-CG1 3.63Å; I216-W228 HydrophobicContact CG2-CZ3 4.35Å; I216-A231 HydrophobicContact CD1-CB 3.73Å; I216-A231 HydrophobicContact CG2-CB 3.87Å; I216-R261 CarbonylContact O-C 3.59Å; I216-R261 WeakPolarHBondContact O-CA 3.29Å; I216-R261 WeakPolarHBondContact O-CB 3.45Å; I216-L262 HydrophobicContact CB-CB 4.43Å; I216-L262 PolarHBondContact N-O 3.25Å; I216-L262 PolarHBondContact O-N 2.58Å
217	S	91.7	Very high	88.7	Confident	28 Å²	28	63.4 Å²	63.4	20%	0.196	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	132.2	176.8	-178	0	0	0	0	111.3	L219 G220 V221 D260	S217-L219 VanDerWaalsContact C-N 3.26Å; S217-L219 PolarHBondContact O-N 2.66Å; S217-G220 CarbonylContact O-C 3.4Å; S217-G220 WeakPolarHBondContact O-CA 3.17Å; S217-G220 PolarHBondContact O-N 3.46Å; S217-V221 PolarHBondContact O-N 2.99Å; S217-D260 PolarHBondContact OG-O 2.97Å
218	K	91.3	Very high	88.8	Confident	65 Å²	65	61.8 Å²	61.8	28%	0.283	31%	0.308	S	S	.	.	H	α-helix	trans	-56.3	-41.1	177.7	-161.9	165.8	-174.9	168.7	0	111.9	G220 R222 W228 D260	K218-G220 VanDerWaalsContact C-N 3.3Å; K218-G220 PolarHBondContact O-N 3.25Å; K218-R222 PolarHBondContact O-N 3.34Å; K218-R222 VanDerWaalsContact O-N 3.15Å; K218-W228 HydrophobicContact CB-CD2 4.04Å; K218-W228 HydrophobicContact CB-CE3 3.73Å; K218-W228 HydrophobicContact CB-CH2 4Å; K218-W228 HydrophobicContact CB-CZ2 4.31Å; K218-W228 HydrophobicContact CB-CZ3 3.71Å; K218-W228 HydrophobicContact CD-CD2 4Å; K218-W228 HydrophobicContact CD-CG 4.43Å; K218-W228 HydrophobicContact CD-CH2 4.35Å; K218-W228 HydrophobicContact CD-CZ2 3.86Å; K218-W228 HydrophobicContact CG-CD2 3.66Å; K218-W228 HydrophobicContact CG-CE3 3.89Å; K218-W228 HydrophobicContact CG-CG 4.04Å; K218-W228 HydrophobicContact CG-CH2 4.45Å; K218-W228 HydrophobicContact CG-CZ2 4.28Å; K218-W228 HydrophobicContact CG-CZ3 4.28Å; K218-D260 HydrophobicContact CB-CB 4.11Å; K218-D260 HydrophobicContact CD-CB 4.04Å; K218-D260 VanDerWaalsContact CD-CG 3.47Å; K218-D260 WeakPolarHBondContact CD-OD2 3.4Å; K218-D260 PolarHBondContact N-O 2.92Å; K218-D260 VanDerWaalsContact N-O 3.09Å; K218-D260 IonicContact NZ-OD2 3.14Å; K218-D260 PolarHBondContact NZ-OD2 2.8Å
219	L	89.4	Confident	88.8	Confident	107 Å²	107	59.7 Å²	59.7	56%	0.56	30%	0.303	S	S	*	.	H	α-helix	trans	-73	-16.8	174.5	-69.5	175.2	0	0	0	114.5	S217 R222	S217-L219 VanDerWaalsContact C-N 3.26Å; S217-L219 PolarHBondContact O-N 2.66Å; L219-R222 WeakPolarHBondContact O-CD 3.26Å; L219-R222 WeakPolarHBondContact O-CG 3.48Å; L219-R222 PolarHBondContact O-NE 2.76Å
220	G	85	Confident	88.9	Confident	44 Å²	44	52.9 Å²	52.9	45%	0.454	28%	0.279	S	S	.	.	H	α-helix	trans	-81.2	-54.5	170.6	0	0	0	0	0	111.3	S217 K218 R222	S217-G220 CarbonylContact O-C 3.4Å; S217-G220 WeakPolarHBondContact O-CA 3.17Å; S217-G220 PolarHBondContact O-N 3.46Å; K218-G220 VanDerWaalsContact C-N 3.3Å; K218-G220 PolarHBondContact O-N 3.25Å; G220-R222 VanDerWaalsContact C-N 3.28Å; G220-R222 PolarHBondContact O-N 3.42Å
221	V	86.3	Confident	88.8	Confident	1 Å²	1	48 Å²	48	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-74.3	-10.3	-175	-54.1	0	0	0	0	114.4	Y196 I216 S217 K223 I224 W228	Y196-V221 HydrophobicContact CD1-CG1 4.08Å; Y196-V221 VanDerWaalsContact O-CG1 3.3Å; Y196-V221 WeakPolarHBondContact O-CG1 3.43Å; I216-V221 HydrophobicContact CG2-CG1 3.63Å; S217-V221 PolarHBondContact O-N 2.99Å; V221-K223 PolarHBondContact O-N 3Å; V221-I224 WeakPolarHBondContact O-CA 3.43Å; V221-I224 WeakPolarHBondContact O-CB 3.41Å; V221-I224 PolarHBondContact O-N 3.46Å; V221-W228 HydrophobicContact CG2-CB 3.91Å; V221-W228 HydrophobicContact CG2-CE3 3.87Å
222	R	86.3	Confident	88.7	Confident	188 Å²	188	48.2 Å²	48.2	71%	0.709	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-12.7	174.2	70.2	-178.8	166.8	151.7	1	115.7	K218 L219 G220	K218-R222 PolarHBondContact O-N 3.34Å; K218-R222 VanDerWaalsContact O-N 3.15Å; L219-R222 WeakPolarHBondContact O-CD 3.26Å; L219-R222 WeakPolarHBondContact O-CG 3.48Å; L219-R222 PolarHBondContact O-NE 2.76Å; G220-R222 VanDerWaalsContact C-N 3.28Å; G220-R222 PolarHBondContact O-N 3.42Å
223	K	82.8	Confident	88.4	Confident	187 Å²	187	50 Å²	50	81%	0.813	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-15.4	171.6	-67.4	-174.4	177	-176.1	0	113.3	V221	V221-K223 PolarHBondContact O-N 3Å
224	I	82.3	Confident	88.2	Confident	19 Å²	19	50.1 Å²	50.1	10%	0.097	27%	0.269	C	S	.	.	S	Bend	trans	-101.4	116.2	-178.5	-55.2	178.9	0	0	0	107.1	V43 S195 Y196 V221 G226 G227	V43-I224 HydrophobicContact CG2-CB 4.32Å; V43-I224 HydrophobicContact CG2-CD1 3.81Å; V43-I224 HydrophobicContact CG2-CG1 3.64Å; V43-I224 HydrophobicContact CG2-CG2 3.95Å; S195-I224 WeakPolarHBondContact O-CD1 3.3Å; Y196-I224 HydrophobicContact CD1-CD1 4.04Å; Y196-I224 HydrophobicContact CE1-CD1 4.23Å; Y196-I224 HydrophobicContact CE1-CG2 4.41Å; V221-I224 WeakPolarHBondContact O-CA 3.43Å; V221-I224 WeakPolarHBondContact O-CB 3.41Å; V221-I224 PolarHBondContact O-N 3.46Å; I224-G226 PolarHBondContact O-N 3.49Å; I224-G227 PolarHBondContact O-N 3.04Å
225	P	80.5	Confident	88	Confident	101 Å²	101	49.5 Å²	49.5	66%	0.656	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	123.4	174.3	-24.7	34.9	0	0	0	110.5	G227	P225-G227 PolarHBondContact O-N 3.02Å
226	G	83.5	Confident	87.9	Confident	45 Å²	45	49 Å²	49	46%	0.464	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	0.2	-175.5	0	0	0	0	0	115.9	I224 W228 S229 Q230	I224-G226 PolarHBondContact O-N 3.49Å; G226-W228 PolarHBondContact O-N 2.82Å; G226-S229 WeakPolarHBondContact O-CB 3.42Å; G226-S229 PolarHBondContact O-N 2.93Å; G226-Q230 PolarHBondContact O-N 3Å
227	G	85.1	Confident	87.7	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-64.6	-17.9	-168.7	0	0	0	0	0	116.5	I224 P225 A231	I224-G227 PolarHBondContact O-N 3.04Å; P225-G227 PolarHBondContact O-N 3.02Å; G227-A231 PolarHBondContact O-N 3.03Å
228	W	90.4	Very high	87.7	Confident	34 Å²	34	48.3 Å²	48.3	13%	0.129	26%	0.262	C	S	.	.	H	α-helix	trans	-81.2	-43.7	170.2	-174.2	-110.5	0	0	0	111.8	I216 K218 V221 G226 Q230 A231 L232 L262	I216-W228 HydrophobicContact CG2-CZ3 4.35Å; K218-W228 HydrophobicContact CB-CD2 4.04Å; K218-W228 HydrophobicContact CB-CE3 3.73Å; K218-W228 HydrophobicContact CB-CH2 4Å; K218-W228 HydrophobicContact CB-CZ2 4.31Å; K218-W228 HydrophobicContact CB-CZ3 3.71Å; K218-W228 HydrophobicContact CD-CD2 4Å; K218-W228 HydrophobicContact CD-CG 4.43Å; K218-W228 HydrophobicContact CD-CH2 4.35Å; K218-W228 HydrophobicContact CD-CZ2 3.86Å; K218-W228 HydrophobicContact CG-CD2 3.66Å; K218-W228 HydrophobicContact CG-CE3 3.89Å; K218-W228 HydrophobicContact CG-CG 4.04Å; K218-W228 HydrophobicContact CG-CH2 4.45Å; K218-W228 HydrophobicContact CG-CZ2 4.28Å; K218-W228 HydrophobicContact CG-CZ3 4.28Å; V221-W228 HydrophobicContact CG2-CB 3.91Å; V221-W228 HydrophobicContact CG2-CE3 3.87Å; G226-W228 PolarHBondContact O-N 2.82Å; W228-Q230 VanDerWaalsContact C-N 3.29Å; W228-Q230 PolarHBondContact O-N 3.01Å; W228-A231 WeakPolarHBondContact O-CB 3.29Å; W228-A231 PolarHBondContact O-N 3.33Å; W228-A231 VanDerWaalsContact O-N 3.15Å; W228-L232 PolarHBondContact O-N 3.32Å; W228-L262 HydrophobicContact CH2-CB 3.92Å; W228-L262 HydrophobicContact CZ3-CB 4.17Å
229	S	88.5	Confident	87.6	Confident	75 Å²	75	52 Å²	52	52%	0.524	27%	0.274	S	S	.	.	H	α-helix	trans	-61.8	-37.3	174	-48	0	0	0	0	111.6	G226 L232 H233	G226-S229 WeakPolarHBondContact O-CB 3.42Å; G226-S229 PolarHBondContact O-N 2.93Å; S229-L232 PolarHBondContact O-N 3.35Å; S229-H233 WeakPolarHBondContact O-CB 3.12Å; S229-H233 PolarHBondContact O-N 3.5Å
230	Q	87.1	Confident	87.6	Confident	33 Å²	33	53 Å²	53	15%	0.154	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-42.3	172	-76.8	175.2	-46.9	0	0	112.6	Y196 G226 W228 H233 E234 G489	Y196-Q230 HydrophobicContact CE1-CB 4.05Å; Y196-Q230 PolarHBondContact OH-OE1 2.55Å; Y196-Q230 VanDerWaalsContact OH-OE1 3.12Å; G226-Q230 PolarHBondContact O-N 3Å; W228-Q230 VanDerWaalsContact C-N 3.29Å; W228-Q230 PolarHBondContact O-N 3.01Å; Q230-H233 PolarHBondContact O-N 2.88Å; Q230-E234 PolarHBondContact O-N 3.44Å; Q230-G489 WeakPolarHBondContact CB-O 2.89Å; Q230-G489 WeakPolarHBondContact CG-O 3.22Å
231	A	89.1	Confident	87.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-67	-37.6	176.3	0	0	0	0	0	112.9	I216 G227 W228 A235 L262	I216-A231 HydrophobicContact CD1-CB 3.73Å; I216-A231 HydrophobicContact CG2-CB 3.87Å; G227-A231 PolarHBondContact O-N 3.03Å; W228-A231 WeakPolarHBondContact O-CB 3.29Å; W228-A231 PolarHBondContact O-N 3.33Å; W228-A231 VanDerWaalsContact O-N 3.15Å; A231-A235 PolarHBondContact O-N 2.89Å; A231-A235 VanDerWaalsContact O-N 3.16Å; A231-L262 HydrophobicContact CB-CD2 4.22Å; A231-L262 WeakPolarHBondContact O-CD2 3.18Å
232	L	91.3	Very high	87.5	Confident	23 Å²	23	55.5 Å²	55.5	12%	0.12	28%	0.279	C	S	.	.	H	α-helix	trans	-69.1	-37.8	172.6	-67.7	174.8	0	0	0	111.9	W228 S229 A235 S236 L262	W228-L232 PolarHBondContact O-N 3.32Å; S229-L232 PolarHBondContact O-N 3.35Å; L232-A235 PolarHBondContact O-N 3.33Å; L232-S236 WeakPolarHBondContact O-CB 3.27Å; L232-S236 PolarHBondContact O-N 3Å; L232-L262 HydrophobicContact CD2-CD2 4.16Å
233	H	88.9	Confident	87.4	Confident	46 Å²	46	50.7 Å²	50.7	21%	0.213	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-46.6	175.2	-173.3	84.1	0	0	0	111.5	S229 Q230 A235 S236 L237	S229-H233 WeakPolarHBondContact O-CB 3.12Å; S229-H233 PolarHBondContact O-N 3.5Å; Q230-H233 PolarHBondContact O-N 2.88Å; H233-A235 VanDerWaalsContact C-N 3.34Å; H233-A235 PolarHBondContact O-N 3.4Å; H233-S236 PolarHBondContact O-N 3.41Å; H233-L237 WeakPolarHBondContact O-CB 3.49Å; H233-L237 PolarHBondContact O-N 3.07Å
234	E	90.1	Very high	87.7	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.009	25%	0.247	C	C	.	.	H	α-helix	trans	-55.1	-48.9	173.7	172.5	169.6	-137.6	0	0	111.3	K214 Q230 S236 L237 M238 L264 F488	K214-E234 IonicContact NZ-OE1 3.87Å; K214-E234 PolarHBondContact NZ-OE1 3.42Å; K214-E234 IonicContact NZ-OE2 3.75Å; K214-E234 PolarHBondContact NZ-OE2 3.3Å; Q230-E234 PolarHBondContact O-N 3.44Å; E234-S236 PolarHBondContact O-N 3.25Å; E234-L237 PolarHBondContact O-N 3.46Å; E234-M238 HydrophobicContact CG-CG 4.47Å; E234-M238 HydrophobicContact CG-SD 3.92Å; E234-M238 WeakPolarHBondContact O-CB 3.49Å; E234-M238 WeakPolarHBondContact O-CG 3.41Å; E234-M238 PolarHBondContact O-N 2.98Å; E234-L264 HydrophobicContact CG-CD1 3.93Å; E234-F488 HydrophobicContact CG-CB 4.19Å; E234-F488 PolarHBondContact OE1-N 2.7Å
235	A	91.3	Very high	87.9	Confident	8 Å²	8	46 Å²	46	7%	0.066	26%	0.258	C	S	.	.	H	α-helix	trans	-61.8	-43	178.8	0	0	0	0	0	112.9	A231 L232 H233 R239 V253 L262 L264	A231-A235 PolarHBondContact O-N 2.89Å; A231-A235 VanDerWaalsContact O-N 3.16Å; L232-A235 PolarHBondContact O-N 3.33Å; H233-A235 VanDerWaalsContact C-N 3.34Å; H233-A235 PolarHBondContact O-N 3.4Å; A235-R239 VanDerWaalsContact O-CB 3.29Å; A235-R239 WeakPolarHBondContact O-CB 3.32Å; A235-R239 PolarHBondContact O-N 3.02Å; A235-V253 HydrophobicContact CB-CG1 4.33Å; A235-V253 HydrophobicContact CB-CG2 4.32Å; A235-L262 HydrophobicContact CB-CD2 4.04Å; A235-L264 HydrophobicContact CB-CD2 3.67Å
236	S	91.1	Very high	88.6	Confident	23 Å²	23	41.7 Å²	41.7	16%	0.161	23%	0.229	C	C	.	.	H	α-helix	trans	-68.8	-41.3	177.8	175.8	0	0	0	0	112.4	F16 L232 H233 E234 R239 R240	F16-S236 WeakPolarHBondContact CE2-OG 2.96Å; F16-S236 VanDerWaalsContact CZ-OG 3.32Å; F16-S236 WeakPolarHBondContact CZ-OG 3.15Å; L232-S236 WeakPolarHBondContact O-CB 3.27Å; L232-S236 PolarHBondContact O-N 3Å; H233-S236 PolarHBondContact O-N 3.41Å; E234-S236 PolarHBondContact O-N 3.25Å; S236-R239 PolarHBondContact O-N 2.85Å; S236-R240 WeakPolarHBondContact O-CB 3.18Å; S236-R240 VanDerWaalsContact O-CG 3.31Å; S236-R240 WeakPolarHBondContact O-CG 3.13Å; S236-R240 PolarHBondContact O-N 3.4Å; S236-R240 VanDerWaalsContact O-N 3.1Å; S236-R240 PolarHBondContact O-NE 3.48Å
237	L	90.6	Very high	89.1	Confident	1 Å²	1	40 Å²	40	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-63.4	-50.4	176.7	-175.2	159.5	0	0	0	110.5	H233 E234 R239 R240 L241 V419 F488	H233-L237 WeakPolarHBondContact O-CB 3.49Å; H233-L237 PolarHBondContact O-N 3.07Å; E234-L237 PolarHBondContact O-N 3.46Å; L237-R239 VanDerWaalsContact C-N 3.31Å; L237-R239 PolarHBondContact O-N 3.12Å; L237-R240 PolarHBondContact O-N 3.36Å; L237-R240 VanDerWaalsContact O-N 3.11Å; L237-L241 HydrophobicContact CD2-CD1 3.59Å; L237-L241 HydrophobicContact CD2-CG 4.1Å; L237-L241 PolarHBondContact O-N 3Å; L237-V419 HydrophobicContact CD1-CG1 3.95Å; L237-V419 HydrophobicContact CD1-CG2 4.1Å; L237-V419 HydrophobicContact CD2-CG1 4.32Å; L237-V419 HydrophobicContact CD2-CG2 4.37Å; L237-V419 HydrophobicContact CG-CG2 4.13Å; L237-F488 HydrophobicContact CD2-CB 4.06Å; L237-F488 HydrophobicContact CD2-CD1 3.68Å; L237-F488 HydrophobicContact CD2-CE1 4.27Å; L237-F488 HydrophobicContact CD2-CG 3.82Å
238	M	90.8	Very high	89.5	Confident	12 Å²	12	40.1 Å²	40.1	6%	0.059	21%	0.21	C	C	.	.	H	α-helix	trans	-67.1	-26.6	178.8	-67.7	-177.1	78.5	0	0	113.4	E234 V248 L250 M266 F488	E234-M238 HydrophobicContact CG-CG 4.47Å; E234-M238 HydrophobicContact CG-SD 3.92Å; E234-M238 WeakPolarHBondContact O-CB 3.49Å; E234-M238 WeakPolarHBondContact O-CG 3.41Å; E234-M238 PolarHBondContact O-N 2.98Å; M238-V248 HydrophobicContact CE-CG1 4.28Å; M238-V248 VanDerWaalsContact CE-O 3.26Å; M238-V248 WeakPolarHBondContact CE-O 3.36Å; M238-L250 HydrophobicContact CB-CB 4.09Å; M238-L250 HydrophobicContact CB-CD2 3.85Å; M238-L250 HydrophobicContact CB-CG 4.46Å; M238-L250 HydrophobicContact CE-CB 4.42Å; M238-M266 HydrophobicContact CE-SD 4.23Å; M238-F488 HydrophobicContact CE-CD2 4.41Å; M238-F488 HydrophobicContact CG-CD2 3.71Å; M238-F488 HydrophobicContact CG-CE2 4.31Å; M238-F488 HydrophobicContact CG-CG 4.36Å; M238-F488 HydrophobicContact SD-CD2 3.9Å
239	R	89.9	Confident	89.6	Confident	142 Å²	142	40.3 Å²	40.3	54%	0.536	22%	0.217	S	C	.	.	H	α-helix	trans	-76.9	-22.1	171.9	-178.3	170	170	137.1	-2.2	113.2	A235 S236 L237 L250 L884	A235-R239 VanDerWaalsContact O-CB 3.29Å; A235-R239 WeakPolarHBondContact O-CB 3.32Å; A235-R239 PolarHBondContact O-N 3.02Å; S236-R239 PolarHBondContact O-N 2.85Å; L237-R239 VanDerWaalsContact C-N 3.31Å; L237-R239 PolarHBondContact O-N 3.12Å; R239-L250 HydrophobicContact CB-CD2 4Å; R239-L884 PolarHBondContact NH1-O 3.42Å; R239-L884 PolarHBondContact NH2-O 2.92Å
240	R	88.6	Confident	89.8	Confident	127 Å²	127	38.6 Å²	38.6	48%	0.479	20%	0.201	S	C	.	.	H	α-helix	trans	-92.2	-27.4	178.4	-72.9	-177.2	-59	121.8	1.9	114	S236 L237 S493	S236-R240 WeakPolarHBondContact O-CB 3.18Å; S236-R240 VanDerWaalsContact O-CG 3.31Å; S236-R240 WeakPolarHBondContact O-CG 3.13Å; S236-R240 PolarHBondContact O-N 3.4Å; S236-R240 VanDerWaalsContact O-N 3.1Å; S236-R240 PolarHBondContact O-NE 3.48Å; L237-R240 PolarHBondContact O-N 3.36Å; L237-R240 VanDerWaalsContact O-N 3.11Å; R240-S493 PolarHBondContact NH2-OG 3.4Å; R240-S493 VanDerWaalsContact NH2-OG 3.08Å
241	L	87.4	Confident	90	Very high	26 Å²	26	40.1 Å²	40.1	14%	0.136	21%	0.213	C	C	.	.	S	Bend	trans	-68.1	132.1	175.4	-73.4	179.5	0	0	0	110.7	L237 V247 F413 L414 N417 V419	L237-L241 HydrophobicContact CD2-CD1 3.59Å; L237-L241 HydrophobicContact CD2-CG 4.1Å; L237-L241 PolarHBondContact O-N 3Å; L241-V247 HydrophobicContact CD1-CG1 4.5Å; L241-F413 HydrophobicContact CD1-CE1 4.46Å; L241-F413 HydrophobicContact CD2-CE1 4.01Å; L241-F413 HydrophobicContact CD2-CZ 4.31Å; L241-L414 HydrophobicContact CD1-CD2 3.61Å; L241-L414 HydrophobicContact CD2-CD2 4.46Å; L241-N417 HydrophobicContact CD2-CB 3.8Å; L241-V419 HydrophobicContact CD2-CG2 4.14Å
242	S	82.6	Confident	90.2	Very high	73 Å²	73	41.4 Å²	41.4	51%	0.51	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-65.3	151	167.4	55.1	0	0	0	0	111	C244 F413	S242-C244 PolarHBondContact O-N 2.89Å; S242-F413 VanDerWaalsContact O-CZ 3.29Å; S242-F413 WeakPolarHBondContact O-CZ 3.21Å; S242-F413 WeakPolarHBondContact OG-CE2 3.46Å
243	A	83.9	Confident	90.3	Very high	87 Å²	87	42.1 Å²	42.1	72%	0.719	23%	0.226	S	C	*	.	P	Polyproline II helix	trans	-57.5	124.2	178.7	0	0	0	0	0	110.9
244	C	88.1	Confident	90.6	Very high	21 Å²	21	40.8 Å²	40.8	14%	0.142	22%	0.22	C	C	.	.			trans	-127.1	137.8	-178.3	173.5	0	0	0	0	110.1	S242 H246 V247 F413	S242-C244 PolarHBondContact O-N 2.89Å; C244-H246 PolarHBondContact O-N 2.95Å; C244-H246 VanDerWaalsContact O-N 3.08Å; C244-V247 HydrophobicContact CB-CB 4.1Å; C244-V247 HydrophobicContact CB-CG2 4.09Å; C244-V247 PolarHBondContact O-N 2.87Å; C244-V247 VanDerWaalsContact O-O 3.11Å; C244-F413 HydrophobicContact CB-CD1 3.7Å; C244-F413 HydrophobicContact CB-CD2 4.07Å; C244-F413 HydrophobicContact CB-CE1 3.57Å; C244-F413 HydrophobicContact CB-CE2 3.95Å; C244-F413 HydrophobicContact CB-CG 3.96Å; C244-F413 HydrophobicContact CB-CZ 3.71Å; C244-F413 VanDerWaalsContact SG-CG 3.57Å
245	R	87.8	Confident	90.8	Very high	86 Å²	86	43.6 Å²	43.6	33%	0.325	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-31.3	-178.8	-167.9	179.7	-61.7	109.4	1.6	112.8	L482 K484	R245-L482 HydrophobicContact CG-CD1 4.02Å; R245-L482 HydrophobicContact CG-CD2 4.19Å; R245-K484 WeakPolarHBondContact O-CE 3.34Å; R245-K484 VanDerWaalsContact O-CG 3.3Å; R245-K484 WeakPolarHBondContact O-CG 3.36Å; R245-K484 PolarHBondContact O-NZ 3.21Å
246	H	94.7	Very high	90.7	Very high	11 Å²	11	44.9 Å²	44.9	5%	0.051	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	21.2	-174.1	-56.1	-55.8	0	0	0	114.1	C244 Q406 V483 L485	C244-H246 PolarHBondContact O-N 2.95Å; C244-H246 VanDerWaalsContact O-N 3.08Å; H246-Q406 PolarHBondContact CE1-OE1 3.37Å; H246-Q406 PolarHBondContact ND1-OE1 3.34Å; H246-V483 WeakPolarHBondContact CA-O 3.35Å; H246-V483 PolarHBondContact ND1-O 3.45Å; H246-L485 PolarHBondContact O-N 2.84Å
247	V	94.1	Very high	90.5	Very high	8 Å²	8	49.5 Å²	49.5	5%	0.048	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-127	150	169.5	175.4	0	0	0	0	108.5	L241 C244 S249 F413 L414 K484 F488	L241-V247 HydrophobicContact CD1-CG1 4.5Å; C244-V247 HydrophobicContact CB-CB 4.1Å; C244-V247 HydrophobicContact CB-CG2 4.09Å; C244-V247 PolarHBondContact O-N 2.87Å; C244-V247 VanDerWaalsContact O-O 3.11Å; V247-S249 PolarHBondContact O-N 3.46Å; V247-F413 HydrophobicContact CG2-CD1 3.93Å; V247-F413 HydrophobicContact CG2-CE1 4.15Å; V247-L414 HydrophobicContact CG2-CD2 4.04Å; V247-L414 HydrophobicContact CG2-CG 4.31Å; V247-K484 PolarHBondContact O-NZ 2.89Å; V247-F488 HydrophobicContact CG1-CE2 3.95Å; V247-F488 HydrophobicContact CG1-CZ 3.73Å
248	V	93.6	Very high	90.2	Very high	5 Å²	5	55.7 Å²	55.7	3%	0.03	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-72.8	120.9	170.9	171.7	0	0	0	0	110	M238 M266 E267 L430 K484 L485	M238-V248 HydrophobicContact CE-CG1 4.28Å; M238-V248 VanDerWaalsContact CE-O 3.26Å; M238-V248 WeakPolarHBondContact CE-O 3.36Å; V248-M266 HydrophobicContact CG1-CB 3.97Å; V248-M266 HydrophobicContact CG1-CG 4.37Å; V248-M266 HydrophobicContact CG1-SD 4.15Å; V248-E267 HydrophobicContact CG1-CG 4.21Å; V248-L430 HydrophobicContact CG2-CD1 3.96Å; V248-L430 HydrophobicContact CG2-CG 4.47Å; V248-K484 HydrophobicContact CG2-CB 3.95Å; V248-L485 WeakPolarHBondContact CG2-O 3.37Å; V248-L485 PolarHBondContact N-O 3.09Å
249	S	91.5	Very high	89.8	Confident	38 Å²	38	56.9 Å²	56.9	27%	0.266	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-79.3	131.6	-177.7	-45.2	0	0	0	0	110.9	V247 M266 E267	V247-S249 PolarHBondContact O-N 3.46Å; S249-M266 VanDerWaalsContact O-CA 3.31Å; S249-M266 WeakPolarHBondContact O-CA 3.45Å; S249-E267 WeakPolarHBondContact CA-OE1 3.47Å; S249-E267 WeakPolarHBondContact CB-OE1 3.25Å; S249-E267 PolarHBondContact N-OE1 3.34Å; S249-E267 PolarHBondContact O-N 3.42Å; S249-E267 PolarHBondContact OG-OE1 2.83Å
250	L	92.8	Very high	89.9	Confident	38 Å²	38	52 Å²	52	20%	0.199	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	134.1	170.2	-173.1	70	0	0	0	109.6	M238 R239 V253 L264 M266	M238-L250 HydrophobicContact CB-CB 4.09Å; M238-L250 HydrophobicContact CB-CD2 3.85Å; M238-L250 HydrophobicContact CB-CG 4.46Å; M238-L250 HydrophobicContact CE-CB 4.42Å; R239-L250 HydrophobicContact CB-CD2 4Å; L250-V253 HydrophobicContact CD1-CG2 4.31Å; L250-V253 HydrophobicContact CD2-CG2 3.67Å; L250-V253 HydrophobicContact CG-CG2 4.35Å; L250-L264 HydrophobicContact CD1-CB 3.9Å; L250-M266 HydrophobicContact CD1-CG 4.3Å
251	V	91.5	Very high	90.1	Very high	66 Å²	66	49.6 Å²	49.6	40%	0.4	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-49	-180	179.4	0	0	0	0	110.4	V265	V251-V265 HydrophobicContact CB-CB 4.43Å; V251-V265 HydrophobicContact CB-CG1 4.17Å; V251-V265 WeakPolarHBondContact CB-O 3.43Å; V251-V265 HydrophobicContact CG1-CG1 4.48Å; V251-V265 PolarHBondContact N-O 3.3Å
252	V	93.5	Very high	90.4	Very high	27 Å²	27	48.6 Å²	48.6	16%	0.164	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	149.5	174	62.3	0	0	0	0	111	F185 L254 V265	F185-V252 HydrophobicContact CE2-CG1 3.77Å; F185-V252 HydrophobicContact CZ-CG1 3.87Å; V252-L254 HydrophobicContact CG1-CD1 4.43Å; V252-L254 HydrophobicContact CG1-CD2 4.45Å; V252-L254 HydrophobicContact CG1-CG 4.22Å; V252-L254 HydrophobicContact CG2-CD2 3.94Å; V252-L254 HydrophobicContact CG2-CG 4.33Å; V252-V265 HydrophobicContact CG1-CB 3.71Å; V252-V265 HydrophobicContact CG1-CG1 4.41Å; V252-V265 HydrophobicContact CG1-CG2 3.67Å; V252-V265 PolarHBondContact N-O 3.05Å; V252-V265 PolarHBondContact O-N 3Å
253	V	94.2	Very high	91	Very high	38 Å²	38	45.1 Å²	45.1	23%	0.23	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	124.9	169.3	-175.6	0	0	0	0	108.4	A235 L250 L262 L264	A235-V253 HydrophobicContact CB-CG1 4.33Å; A235-V253 HydrophobicContact CB-CG2 4.32Å; L250-V253 HydrophobicContact CD1-CG2 4.31Å; L250-V253 HydrophobicContact CD2-CG2 3.67Å; L250-V253 HydrophobicContact CG-CG2 4.35Å; V253-L262 HydrophobicContact CG1-CD1 3.56Å; V253-L262 HydrophobicContact CG1-CG 4.39Å; V253-L264 HydrophobicContact CG1-CD2 3.96Å; V253-L264 HydrophobicContact CG2-CD2 4.13Å
254	L	94.4	Very high	91.5	Very high	18 Å²	18	41 Å²	41	9%	0.094	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	118.7	176.7	-58.6	171.2	0	0	0	109.2	L181 A182 F185 V252 C263 V265	L181-L254 HydrophobicContact CD1-CD1 4.24Å; L181-L254 HydrophobicContact CD2-CD1 3.98Å; L181-L254 HydrophobicContact CG-CD1 3.86Å; A182-L254 HydrophobicContact CB-CD1 3.91Å; A182-L254 HydrophobicContact CB-CD2 4.38Å; F185-L254 HydrophobicContact CD2-CD1 4.16Å; F185-L254 HydrophobicContact CE2-CD1 4.29Å; V252-L254 HydrophobicContact CG1-CD1 4.43Å; V252-L254 HydrophobicContact CG1-CD2 4.45Å; V252-L254 HydrophobicContact CG1-CG 4.22Å; V252-L254 HydrophobicContact CG2-CD2 3.94Å; V252-L254 HydrophobicContact CG2-CG 4.33Å; L254-C263 HydrophobicContact CB-CB 4.17Å; L254-C263 PolarHBondContact N-O 2.91Å; L254-C263 PolarHBondContact O-N 2.66Å; L254-V265 HydrophobicContact CD1-CG2 4.13Å
255	R	93.7	Very high	91.9	Very high	61 Å²	61	40 Å²	40	23%	0.23	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	125.8	165	-168.7	82.9	176.8	-107.2	-8.5	106.8	M8 E11 D260	M8-R255 HydrophobicContact CE-CG 4.44Å; M8-R255 PolarHBondContact SD-NH1 3.37Å; E11-R255 IonicContact OE2-NH1 2.67Å; E11-R255 PolarHBondContact OE2-NH1 2.76Å; E11-R255 IonicContact OE2-NH2 2.66Å; R255-D260 IonicContact CZ-OD1 3.9Å; R255-D260 IonicContact CZ-OD2 3.97Å; R255-D260 IonicContact NE-OD1 3.58Å; R255-D260 PolarHBondContact NE-OD1 3.23Å; R255-D260 IonicContact NE-OD2 3.94Å; R255-D260 IonicContact NH2-OD1 3.96Å; R255-D260 PolarHBondContact NH2-OD1 2.76Å; R255-D260 IonicContact NH2-OD2 3.72Å; R255-D260 PolarHBondContact NH2-OD2 2.87Å
256	L	90.9	Very high	92.2	Very high	34 Å²	34	36.4 Å²	36.4	18%	0.178	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126.5	171.1	-57.5	175.2	0	0	0	108.3	L181 D260 R261	L181-L256 HydrophobicContact CD1-CD1 3.7Å; L181-L256 HydrophobicContact CD1-CD2 3.78Å; L181-L256 HydrophobicContact CD1-CG 4.17Å; L256-D260 VanDerWaalsContact O-CA 3.29Å; L256-D260 WeakPolarHBondContact O-CA 3.3Å; L256-R261 HydrophobicContact CB-CB 4.25Å; L256-R261 PolarHBondContact N-O 2.99Å; L256-R261 PolarHBondContact O-N 2.84Å
257	E	86.8	Confident	92	Very high	121 Å²	121	37.8 Å²	37.8	57%	0.565	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	160.1	170.2	-64.2	-178.6	-155.8	0	0	110.1
258	N	82.9	Confident	91.9	Very high	131 Å²	131	39 Å²	39	70%	0.701	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	64.7	170.3	-57.9	-46.2	0	0	0	115.5
259	P	83.8	Confident	91.7	Very high	37 Å²	37	39.3 Å²	39.3	24%	0.24	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	cis	-99.6	146.1	9.8	36	-33.6	0	0	0	114.1	F102 R261	F102-P259 HydrophobicContact CZ-CG 4.06Å; P259-R261 WeakPolarHBondContact O-CG 3.17Å; P259-R261 PolarHBondContact O-N 2.68Å; P259-R261 VanDerWaalsContact O-N 3.09Å
260	D	90.6	Very high	91.4	Very high	40 Å²	40	38.5 Å²	38.5	21%	0.214	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	111.4	-177.6	-162.2	-15.1	0	0	0	112.9	S217 K218 R255 L256	S217-D260 PolarHBondContact OG-O 2.97Å; K218-D260 HydrophobicContact CB-CB 4.11Å; K218-D260 HydrophobicContact CD-CB 4.04Å; K218-D260 VanDerWaalsContact CD-CG 3.47Å; K218-D260 WeakPolarHBondContact CD-OD2 3.4Å; K218-D260 PolarHBondContact N-O 2.92Å; K218-D260 VanDerWaalsContact N-O 3.09Å; K218-D260 IonicContact NZ-OD2 3.14Å; K218-D260 PolarHBondContact NZ-OD2 2.8Å; R255-D260 IonicContact CZ-OD1 3.9Å; R255-D260 IonicContact CZ-OD2 3.97Å; R255-D260 IonicContact NE-OD1 3.58Å; R255-D260 PolarHBondContact NE-OD1 3.23Å; R255-D260 IonicContact NE-OD2 3.94Å; R255-D260 IonicContact NH2-OD1 3.96Å; R255-D260 PolarHBondContact NH2-OD1 2.76Å; R255-D260 IonicContact NH2-OD2 3.72Å; R255-D260 PolarHBondContact NH2-OD2 2.87Å; L256-D260 VanDerWaalsContact O-CA 3.29Å; L256-D260 WeakPolarHBondContact O-CA 3.3Å
261	R	92.7	Very high	91.1	Very high	75 Å²	75	37.4 Å²	37.4	28%	0.283	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	150	-178.5	-72.9	167.8	-176.2	170.1	7	110.7	I216 L256 P259	I216-R261 CarbonylContact O-C 3.59Å; I216-R261 WeakPolarHBondContact O-CA 3.29Å; I216-R261 WeakPolarHBondContact O-CB 3.45Å; L256-R261 HydrophobicContact CB-CB 4.25Å; L256-R261 PolarHBondContact N-O 2.99Å; L256-R261 PolarHBondContact O-N 2.84Å; P259-R261 WeakPolarHBondContact O-CG 3.17Å; P259-R261 PolarHBondContact O-N 2.68Å; P259-R261 VanDerWaalsContact O-N 3.09Å
262	L	94.3	Very high	91	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.026	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.3	170	-169.1	67.7	0	0	0	107.8	I216 W228 A231 L232 A235 V253 L264	I216-L262 HydrophobicContact CB-CB 4.43Å; I216-L262 PolarHBondContact N-O 3.25Å; I216-L262 PolarHBondContact O-N 2.58Å; W228-L262 HydrophobicContact CH2-CB 3.92Å; W228-L262 HydrophobicContact CZ3-CB 4.17Å; A231-L262 HydrophobicContact CB-CD2 4.22Å; A231-L262 WeakPolarHBondContact O-CD2 3.18Å; L232-L262 HydrophobicContact CD2-CD2 4.16Å; A235-L262 HydrophobicContact CB-CD2 4.04Å; V253-L262 HydrophobicContact CG1-CD1 3.56Å; V253-L262 HydrophobicContact CG1-CG 4.39Å; L262-L264 HydrophobicContact CD2-CD2 4.19Å; L262-L264 HydrophobicContact CG-CD2 4.01Å
263	C	95.3	Very high	90.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	112.7	178.3	-69	0	0	0	0	108.8	L181 V213 K214 L254	L181-C263 HydrophobicContact CD2-CB 4.15Å; V213-C263 HydrophobicContact CG1-CB 4.16Å; K214-C263 WeakPolarHBondContact O-CA 3.3Å; L254-C263 HydrophobicContact CB-CB 4.17Å; L254-C263 PolarHBondContact N-O 2.91Å; L254-C263 PolarHBondContact O-N 2.66Å
264	L	95.2	Very high	90.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	110.7	173.4	-45.6	-176.4	0	0	0	108	V213 K214 E234 A235 L250 V253 L262 M266	V213-L264 CarbonylContact C-O 3.47Å; V213-L264 WeakPolarHBondContact CA-O 3.38Å; K214-L264 HydrophobicContact CB-CB 4.16Å; K214-L264 HydrophobicContact CD-CD1 4.25Å; K214-L264 PolarHBondContact N-O 3.28Å; K214-L264 PolarHBondContact O-N 3.34Å; E234-L264 HydrophobicContact CG-CD1 3.93Å; A235-L264 HydrophobicContact CB-CD2 3.67Å; L250-L264 HydrophobicContact CD1-CB 3.9Å; V253-L264 HydrophobicContact CG1-CD2 3.96Å; V253-L264 HydrophobicContact CG2-CD2 4.13Å; L262-L264 HydrophobicContact CD2-CD2 4.19Å; L262-L264 HydrophobicContact CG-CD2 4.01Å; L264-M266 HydrophobicContact CB-CG 4.4Å
265	V	95.3	Very high	90.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	126.4	171.9	-173.7	0	0	0	0	107.6	F185 H211 V213 V251 V252 L254	F185-V265 HydrophobicContact CD1-CG1 4.05Å; F185-V265 HydrophobicContact CD2-CG2 4.17Å; F185-V265 HydrophobicContact CE1-CG1 3.73Å; F185-V265 HydrophobicContact CE2-CG2 4.12Å; F185-V265 HydrophobicContact CG-CG2 4.49Å; F185-V265 HydrophobicContact CZ-CG1 3.98Å; F185-V265 HydrophobicContact CZ-CG2 4.4Å; H211-V265 HydrophobicContact CB-CG1 4.05Å; V213-V265 HydrophobicContact CG1-CG2 4.36Å; V213-V265 HydrophobicContact CG2-CG1 4.32Å; V213-V265 HydrophobicContact CG2-CG2 4.18Å; V251-V265 HydrophobicContact CB-CB 4.43Å; V251-V265 HydrophobicContact CB-CG1 4.17Å; V251-V265 WeakPolarHBondContact CB-O 3.43Å; V251-V265 HydrophobicContact CG1-CG1 4.48Å; V251-V265 PolarHBondContact N-O 3.3Å; V252-V265 HydrophobicContact CG1-CB 3.71Å; V252-V265 HydrophobicContact CG1-CG1 4.41Å; V252-V265 HydrophobicContact CG1-CG2 3.67Å; V252-V265 PolarHBondContact N-O 3.05Å; V252-V265 PolarHBondContact O-N 3Å; L254-V265 HydrophobicContact CD1-CG2 4.13Å
266	M	94.1	Very high	89.7	Confident	11 Å²	11	33.8 Å²	33.8	5%	0.054	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	168.3	-170.8	-55.7	172.7	-60.3	0	0	110.2	V199 H211 A212 K214 M238 V248 S249 L250 L264	V199-M266 HydrophobicContact CG1-CE 4.48Å; H211-M266 WeakPolarHBondContact CA-O 3.04Å; H211-M266 WeakPolarHBondContact CB-O 3.45Å; H211-M266 PolarHBondContact ND1-O 3.46Å; A212-M266 HydrophobicContact CB-CE 4.11Å; A212-M266 PolarHBondContact N-O 3.05Å; A212-M266 VanDerWaalsContact N-O 3.07Å; A212-M266 PolarHBondContact O-N 2.85Å; K214-M266 HydrophobicContact CB-CE 3.85Å; K214-M266 HydrophobicContact CB-SD 4.5Å; M238-M266 HydrophobicContact CE-SD 4.23Å; V248-M266 HydrophobicContact CG1-CB 3.97Å; V248-M266 HydrophobicContact CG1-CG 4.37Å; V248-M266 HydrophobicContact CG1-SD 4.15Å; S249-M266 VanDerWaalsContact O-CA 3.31Å; S249-M266 WeakPolarHBondContact O-CA 3.45Å; L250-M266 HydrophobicContact CD1-CG 4.3Å; L264-M266 HydrophobicContact CB-CG 4.4Å
267	E	91.6	Very high	89.4	Confident	40 Å²	40	32.2 Å²	32.2	19%	0.187	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	144.9	165.4	69.5	-176.9	110.3	0	0	111.5	V248 S249 K484	V248-E267 HydrophobicContact CG1-CG 4.21Å; S249-E267 WeakPolarHBondContact CA-OE1 3.47Å; S249-E267 WeakPolarHBondContact CB-OE1 3.25Å; S249-E267 PolarHBondContact N-OE1 3.34Å; S249-E267 PolarHBondContact O-N 3.42Å; S249-E267 PolarHBondContact OG-OE1 2.83Å; E267-K484 IonicContact OE1-NZ 3.72Å; E267-K484 PolarHBondContact OE1-NZ 3.19Å; E267-K484 WeakPolarHBondContact OE2-CD 3.32Å; E267-K484 WeakPolarHBondContact OE2-CE 3.29Å; E267-K484 IonicContact OE2-NZ 2.69Å; E267-K484 PolarHBondContact OE2-NZ 2.83Å
268	H	91	Very high	88.9	Confident	33 Å²	33	27.9 Å²	27.9	15%	0.153	15%	0.151	C	C	.	.			trans	-79.1	125.3	175.1	177.4	-76.8	0	0	0	110.6	D201 R210	D201-H268 IonicContact OD1-CD2 3.03Å; D201-H268 IonicContact OD1-NE2 2.71Å; R210-H268 HydrophobicContact CB-CB 4.21Å; R210-H268 HydrophobicContact CG-CB 4.23Å; R210-H268 VanDerWaalsContact O-CB 3.31Å; R210-H268 WeakPolarHBondContact O-CB 3.43Å
269	C	90.3	Very high	88.3	Confident	12 Å²	12	22.6 Å²	22.6	8%	0.081	12%	0.124	C	C	.	.			trans	-113.9	151.1	167.3	-63.5	0	0	0	0	109.4	L430	C269-L430 HydrophobicContact CB-CB 3.7Å; C269-L430 HydrophobicContact CB-CD1 3.83Å; C269-L430 HydrophobicContact CB-CG 4.4Å
270	L	84.7	Confident	86.8	Confident	21 Å²	21	23.7 Å²	23.7	11%	0.11	14%	0.142	C	C	.	.			trans	-80.2	-32.8	-167.3	-172.1	61.1	0	0	0	113.9	L431 W481 R737 L738 F741	L270-L431 PolarHBondContact N-O 3.33Å; L270-W481 HydrophobicContact CB-CZ3 4.35Å; L270-W481 HydrophobicContact CD2-CH2 3.54Å; L270-W481 HydrophobicContact CD2-CZ3 3.9Å; L270-R737 HydrophobicContact CD1-CB 4.31Å; L270-L738 HydrophobicContact CD2-CD2 3.42Å; L270-L738 VanDerWaalsContact CD2-CD2 3.42Å; L270-L738 HydrophobicContact CD2-CG 3.84Å; L270-F741 HydrophobicContact CD1-CD2 4.18Å; L270-F741 HydrophobicContact CD1-CE2 3.96Å
271	G	85.9	Confident	84.8	Confident	16 Å²	16	23.4 Å²	23.4	17%	0.165	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.8	-178.8	-178.5	0	0	0	0	0	110.3	L430 L431	G271-L430 WeakPolarHBondContact O-CA 3.44Å; G271-L431 PolarHBondContact O-N 3.38Å
272	S	90.2	Very high	81.9	Confident	5 Å²	5	25 Å²	25	4%	0.035	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	166.5	177.1	71.4	0	0	0	0	113.3	H274 D275 L276 A427 L429	S272-H274 PolarHBondContact O-N 2.82Å; S272-H274 WeakPolarHBondContact OG-CB 3.47Å; S272-H274 PolarHBondContact OG-N 3.29Å; S272-D275 WeakPolarHBondContact CB-OD2 3.3Å; S272-D275 PolarHBondContact N-OD2 3.44Å; S272-D275 PolarHBondContact O-N 2.72Å; S272-D275 VanDerWaalsContact O-N 3.14Å; S272-D275 PolarHBondContact OG-N 2.75Å; S272-D275 PolarHBondContact OG-OD2 2.97Å; S272-L276 PolarHBondContact O-N 2.83Å; S272-A427 VanDerWaalsContact CB-O 3.31Å; S272-A427 WeakPolarHBondContact CB-O 3.35Å; S272-L429 CarbonylContact C-O 3.19Å; S272-L429 WeakPolarHBondContact CA-O 3.29Å
273	V	90.1	Very high	79	Confident	0 Å²	0	28 Å²	28	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.4	-31.8	169.9	177.1	0	0	0	0	111.1	L276 Q277 L395 Y403 P426 L429 L431 M542	V273-L276 PolarHBondContact O-N 2.83Å; V273-Q277 WeakPolarHBondContact O-CG 3.39Å; V273-Q277 PolarHBondContact O-N 2.89Å; V273-L395 HydrophobicContact CG1-CD1 4.04Å; V273-Y403 HydrophobicContact CG1-CD2 4.39Å; V273-Y403 HydrophobicContact CG2-CD2 3.89Å; V273-Y403 HydrophobicContact CG2-CE2 4.03Å; V273-P426 HydrophobicContact CB-CB 4.35Å; V273-P426 HydrophobicContact CG1-CB 4.33Å; V273-P426 PolarHBondContact N-O 2.98Å; V273-L429 HydrophobicContact CB-CB 4.11Å; V273-L429 HydrophobicContact CG2-CB 3.69Å; V273-L429 HydrophobicContact CG2-CD1 4.27Å; V273-L429 PolarHBondContact N-O 3.33Å; V273-L431 HydrophobicContact CG2-CD1 4.43Å; V273-L431 HydrophobicContact CG2-CD2 3.92Å; V273-L431 HydrophobicContact CG2-CG 4.24Å; V273-M542 HydrophobicContact CG1-CG 4.04Å; V273-M542 HydrophobicContact CG1-SD 4.04Å
274	H	88.3	Confident	76	Confident	22 Å²	22	35 Å²	35	10%	0.102	22%	0.216	C	C	.	.	H	α-helix	trans	-60.8	-49.1	171.1	-177.1	-96.5	0	0	0	111.8	S272 L276 Q277 A278 F392 P426 A427	S272-H274 PolarHBondContact O-N 2.82Å; S272-H274 WeakPolarHBondContact OG-CB 3.47Å; S272-H274 PolarHBondContact OG-N 3.29Å; H274-L276 VanDerWaalsContact C-N 3.27Å; H274-L276 PolarHBondContact O-N 3.07Å; H274-Q277 CarbonylContact O-C 3.55Å; H274-Q277 PolarHBondContact O-N 3.43Å; H274-Q277 VanDerWaalsContact O-N 3.12Å; H274-A278 WeakPolarHBondContact O-CB 3.25Å; H274-A278 PolarHBondContact O-N 3.49Å; H274-F392 AromaticContact CE1-CE1 3.88Å; H274-F392 AromaticContact NE2-CE1 3.48Å; H274-F392 WeakPolarHBondContact NE2-CE1 3.4Å; H274-F392 AromaticContact NE2-CZ 3.74Å; H274-P426 HydrophobicContact CB-CB 4.08Å; H274-P426 PolarHBondContact N-O 2.7Å; H274-P426 VanDerWaalsContact N-O 3.14Å; H274-A427 HydrophobicContact CB-CB 3.97Å
275	D	84.3	Confident	73.1	Confident	63 Å²	63	40.3 Å²	40.3	34%	0.337	25%	0.248	S	C	.	.	H	α-helix	trans	-66.1	-32.4	-178.3	-47.5	-51.8	0	0	0	111.9	S272 S279 V734	S272-D275 WeakPolarHBondContact CB-OD2 3.3Å; S272-D275 PolarHBondContact N-OD2 3.44Å; S272-D275 PolarHBondContact O-N 2.72Å; S272-D275 VanDerWaalsContact O-N 3.14Å; S272-D275 PolarHBondContact OG-N 2.75Å; S272-D275 PolarHBondContact OG-OD2 2.97Å; D275-S279 PolarHBondContact O-N 2.69Å; D275-S279 VanDerWaalsContact O-N 3.09Å; D275-V734 HydrophobicContact CB-CG2 3.91Å
276	L	84.8	Confident	69.9	Low	44 Å²	44	44.1 Å²	44.1	23%	0.23	28%	0.279	C	S	.	.	H	α-helix	trans	-63.7	-46	171	178.5	63.9	0	0	0	111.7	S272 V273 H274 S279 L395 Y403 L431	S272-L276 PolarHBondContact O-N 2.83Å; V273-L276 PolarHBondContact O-N 2.83Å; H274-L276 VanDerWaalsContact C-N 3.27Å; H274-L276 PolarHBondContact O-N 3.07Å; L276-S279 WeakPolarHBondContact O-CB 3.42Å; L276-S279 PolarHBondContact O-N 3.24Å; L276-S279 PolarHBondContact O-OG 3.06Å; L276-L395 HydrophobicContact CD2-CD2 3.91Å; L276-L395 HydrophobicContact CG-CD2 4.28Å; L276-Y403 HydrophobicContact CD2-CE2 4.02Å; L276-L431 HydrophobicContact CB-CD1 4.38Å; L276-L431 HydrophobicContact CD2-CD1 3.93Å
277	Q	84.6	Confident	66.7	Low	0 Å²	0	51.8 Å²	51.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-72	-27.2	177.8	-70.2	-170.6	-105.8	0	0	113.3	V273 H274 S279 F392 R393 L395 F541	V273-Q277 WeakPolarHBondContact O-CG 3.39Å; V273-Q277 PolarHBondContact O-N 2.89Å; H274-Q277 CarbonylContact O-C 3.55Å; H274-Q277 PolarHBondContact O-N 3.43Å; H274-Q277 VanDerWaalsContact O-N 3.12Å; Q277-S279 VanDerWaalsContact C-N 3.31Å; Q277-F392 HydrophobicContact CB-CB 4.35Å; Q277-F392 HydrophobicContact CB-CD1 4.46Å; Q277-R393 WeakPolarHBondContact CB-O 3.45Å; Q277-R393 WeakPolarHBondContact CG-O 3.14Å; Q277-R393 PolarHBondContact NE2-O 2.81Å; Q277-R393 PolarHBondContact O-N 3.41Å; Q277-L395 HydrophobicContact CG-CD2 3.96Å; Q277-L395 HydrophobicContact CG-CG 4.09Å; Q277-F541 HydrophobicContact CB-CE1 4.29Å; Q277-F541 PolarHBondContact NE2-O 3.12Å; Q277-F541 VanDerWaalsContact OE1-CD1 3.26Å
278	A	77.7	Confident	63.5	Low	30 Å²	30	55.1 Å²	55.1	25%	0.248	35%	0.348	C	S	.	.	H	α-helix	trans	-76.7	-16.3	172.6	0	0	0	0	0	113.1	H274 G280 V281 F392	H274-A278 WeakPolarHBondContact O-CB 3.25Å; H274-A278 PolarHBondContact O-N 3.49Å; A278-G280 PolarHBondContact O-N 3.14Å; A278-V281 WeakPolarHBondContact O-CB 3.44Å; A278-V281 PolarHBondContact O-N 2.93Å; A278-F392 HydrophobicContact CB-CD1 4.03Å; A278-F392 HydrophobicContact CB-CE1 3.9Å
279	S	69.8	Low	60.4	Low	21 Å²	21	58.8 Å²	58.8	15%	0.147	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	129.2	-173.8	70.7	0	0	0	0	112.4	D275 L276 Q277 V281 R393	D275-S279 PolarHBondContact O-N 2.69Å; D275-S279 VanDerWaalsContact O-N 3.09Å; L276-S279 WeakPolarHBondContact O-CB 3.42Å; L276-S279 PolarHBondContact O-N 3.24Å; L276-S279 PolarHBondContact O-OG 3.06Å; Q277-S279 VanDerWaalsContact C-N 3.31Å; S279-V281 PolarHBondContact O-N 3.13Å; S279-R393 WeakPolarHBondContact O-CD 3.49Å; S279-R393 PolarHBondContact O-NE 3.34Å
280	G	52.8	Low	57.6	Low	59 Å²	59	66.8 Å²	66.8	61%	0.608	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	14.5	-176.4	0	0	0	0	0	115.5	A278	A278-G280 PolarHBondContact O-N 3.14Å
281	V	48.1	Very low	54.9	Low	35 Å²	35	72.9 Å²	72.9	21%	0.212	45%	0.446	C	S	.	.	S	Bend	trans	-89.7	131.4	160.3	-175.8	0	0	0	0	107.8	A278 S279 S283	A278-V281 WeakPolarHBondContact O-CB 3.44Å; A278-V281 PolarHBondContact O-N 2.93Å; S279-V281 PolarHBondContact O-N 3.13Å; V281-S283 PolarHBondContact O-N 3.37Å; V281-S283 VanDerWaalsContact O-N 3.15Å
282	P	31.4	Very low	52	Low	109 Å²	109	81.1 Å²	81.1	71%	0.708	48%	0.48	S	S	*	.			trans	-69	109.4	177.9	-20.2	33.2	0	0	0	112
283	S	34.2	Very low	49.1	Very low	67 Å²	67	90.2 Å²	90.2	47%	0.469	52%	0.519	S	S	.	.			trans	-81.4	128	172.1	51.5	0	0	0	0	110.9	V281 T285	V281-S283 PolarHBondContact O-N 3.37Å; V281-S283 VanDerWaalsContact O-N 3.15Å; S283-T285 PolarHBondContact O-N 3.12Å; S283-T285 VanDerWaalsContact O-N 3.09Å
284	H	32.5	Very low	46.1	Very low	148 Å²	148	98.6 Å²	98.6	69%	0.685	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-75.7	6.8	-173.5	-91.5	-72.6	0	0	0	115
285	T	32.9	Very low	43.1	Very low	110 Å²	110	105.9 Å²	105.9	68%	0.675	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-94.3	9.9	-168.8	49.8	0	0	0	0	115.3	S283	S283-T285 PolarHBondContact O-N 3.12Å; S283-T285 VanDerWaalsContact O-N 3.09Å
286	A	29.3	Very low	40.5	Very low	80 Å²	80	108.7 Å²	108.7	66%	0.661	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-99.9	-0.1	-172.9	0	0	0	0	0	115.8
287	L	26.7	Very low	37.8	Very low	172 Å²	172	111.7 Å²	111.7	90%	0.901	63%	0.625	S	S	*	*	S	Bend	trans	-134.5	64.5	-171.4	-70.4	173.7	0	0	0	113
288	S	24.6	Very low	35.2	Very low	111 Å²	111	116.4 Å²	116.4	78%	0.776	65%	0.646	S	S	*	*	S	Bend	trans	-153.8	30.1	176.6	76.5	0	0	0	0	116.8
289	S	25.7	Very low	32.7	Very low	109 Å²	109	120.2 Å²	120.2	76%	0.762	66%	0.662	S	S	*	*			trans	-165.5	83.2	167.5	61.1	0	0	0	0	114.4
290	E	30.6	Very low	30.6	Very low	181 Å²	181	123.4 Å²	123.4	85%	0.846	69%	0.69	S	S	*	*			trans	-145.2	152.9	148	-91.1	-54.8	141.2	0	0	106.6
291	N	28.1	Very low	29.3	Very low	148 Å²	148	130.7 Å²	130.7	79%	0.791	70%	0.704	S	S	*	*			trans	-94.1	153.2	-162.6	-65.9	-80.3	0	0	0	114.4	F293	N291-F293 PolarHBondContact O-N 3.1Å
292	E	26.6	Very low	28.3	Very low	190 Å²	190	134.2 Å²	134.2	89%	0.888	73%	0.731	S	S	*	*			trans	-59.3	123.9	166.6	-60.7	172.1	123.5	0	0	110.5
293	F	27.8	Very low	28.1	Very low	195 Å²	195	133.8 Å²	133.8	86%	0.855	73%	0.73	S	S	*	*			trans	-141.9	143.7	154.5	-107.2	-77.4	0	0	0	110.5	N291	N291-F293 PolarHBondContact O-N 3.1Å
294	E	27.1	Very low	27.7	Very low	176 Å²	176	136.5 Å²	136.5	82%	0.822	75%	0.749	S	S	*	*			trans	-75.6	135.9	-154	-62.3	156.2	125.4	0	0	114.4
295	L	25.9	Very low	27.6	Very low	176 Å²	176	134.7 Å²	134.7	92%	0.921	75%	0.753	S	S	*	*			trans	-111	88	160.4	-99.9	169.7	0	0	0	108.6
296	D	29	Very low	27.4	Very low	122 Å²	122	137.9 Å²	137.9	65%	0.652	76%	0.761	S	S	*	*			trans	-85.5	139.8	-178	-163.5	16.4	0	0	0	112.3
297	E	29.4	Very low	27.3	Very low	106 Å²	106	142.1 Å²	142.1	50%	0.495	77%	0.771	S	S	.	*			trans	-112.7	106.5	-143.8	-163.4	-152.5	162.2	0	0	114.3	R66	R66-E297 VanDerWaalsContact CD-O 3.28Å; R66-E297 WeakPolarHBondContact CD-O 3.33Å; R66-E297 HydrophobicContact CG-CB 4.35Å; R66-E297 WeakPolarHBondContact CG-O 3.43Å; R66-E297 IonicContact CZ-OE1 2.7Å; R66-E297 IonicContact CZ-OE2 3.35Å; R66-E297 IonicContact NE-OE2 2.92Å; R66-E297 PolarHBondContact NE-OE2 3.32Å; R66-E297 PolarHBondContact NH1-O 3.46Å; R66-E297 IonicContact NH1-OE1 3.87Å; R66-E297 PolarHBondContact NH1-OE1 3.34Å; R66-E297 VanDerWaalsContact NH1-OE1 3.09Å; R66-E297 IonicContact NH1-OE2 2.66Å; R66-E297 PolarHBondContact NH1-OE2 3Å; R66-E297 IonicContact NH2-OE1 3.34Å; R66-E297 PolarHBondContact NH2-OE1 2.93Å; R66-E297 IonicContact NH2-OE2 3.09Å; R66-E297 PolarHBondContact NH2-OE2 3.01Å
298	F	28.6	Very low	27.4	Very low	100 Å²	100	138.4 Å²	138.4	44%	0.439	76%	0.758	S	S	.	*			trans	-100.6	108.9	-177.5	-108.3	-92.1	0	0	0	118.1	Q67 S68	Q67-F298 HydrophobicContact CB-CE2 4.47Å; Q67-F298 HydrophobicContact CB-CZ 4.02Å; Q67-F298 HydrophobicContact CG-CE2 4.44Å; Q67-F298 HydrophobicContact CG-CZ 3.85Å; S68-F298 VanDerWaalsContact CA-CE2 3.46Å; S68-F298 VanDerWaalsContact N-CZ 3.28Å
299	N	26.4	Very low	27.4	Very low	110 Å²	110	142.8 Å²	142.8	59%	0.588	76%	0.759	S	S	*	*			trans	-78.6	135.6	164.1	-92.7	-23.2	0	0	0	111.5	R66	R66-N299 VanDerWaalsContact CZ-ND2 3.27Å; R66-N299 VanDerWaalsContact NH1-CG 3.27Å; R66-N299 PolarHBondContact NH1-ND2 3.43Å; R66-N299 PolarHBondContact NH2-ND2 3.33Å
300	A	25.8	Very low	27.5	Very low	88 Å²	88	146 Å²	146	73%	0.727	76%	0.759	S	S	*	*			trans	-170.6	111.5	133.1	0	0	0	0	0	114.9
301	K	25.1	Very low	27.3	Very low	211 Å²	211	146 Å²	146	92%	0.917	76%	0.756	S	S	*	*			trans	39.1	96.4	130.6	-56.4	175	-178.2	175.4	0	120.3
302	S	27	Very low	27.4	Very low	109 Å²	109	147 Å²	147	76%	0.762	76%	0.756	S	S	*	*			trans	-177.6	102.5	140.3	51.9	0	0	0	0	109.1
303	S	26.5	Very low	27.3	Very low	100 Å²	100	146.2 Å²	146.2	70%	0.699	75%	0.752	S	S	*	*				92.5	119.3	61.6	66.1	0	0	0	0	113.5
304	S	26.7	Very low	27.4	Very low	124 Å²	124	145.6 Å²	145.6	87%	0.867	75%	0.752	S	S	*	*			trans	62.5	153.4	173.5	53.1	0	0	0	0	116.9
305	S	30.3	Very low	27.6	Very low	111 Å²	111	140.3 Å²	140.3	78%	0.776	74%	0.744	S	S	*	*			cis	-134.2	166.2	8.3	55.9	0	0	0	0	114.6
306	Q	27.8	Very low	28	Very low	176 Å²	176	140.7 Å²	140.7	82%	0.822	74%	0.741	S	S	*	*			trans	-59.6	162.5	176.7	-55.6	144.5	-45.2	0	0	113.5
307	L	27.8	Very low	28.1	Very low	170 Å²	170	140 Å²	140	89%	0.89	75%	0.746	S	S	*	*				-155.7	156.9	106.9	-92.8	161.4	0	0	0	109.7
308	P	29.2	Very low	28.3	Very low	94 Å²	94	139.3 Å²	139.3	61%	0.61	75%	0.753	S	S	*	*			trans	-136.9	167.3	-152.7	42.7	-26	0	0	0	117.7
309	Y	24.2	Very low	28.5	Very low	203 Å²	203	141.2 Å²	141.2	80%	0.796	77%	0.768	S	S	*	*			trans	64.8	151.7	157.6	-89.9	-125.4	0	0	0	115.9
310	F	27.8	Very low	28.8	Very low	176 Å²	176	140.1 Å²	140.1	77%	0.772	77%	0.774	S	S	*	*			cis	-146.7	152.9	48.8	-105.9	-93.7	0	0	0	114.3	H312	F310-H312 AromaticContact CD1-CD2 3.84Å
311	K	25.8	Very low	28.9	Very low	182 Å²	182	141.8 Å²	141.8	79%	0.791	78%	0.775	S	S	*	*			trans	-94.3	144.8	152.5	-68.4	177.2	176.7	177.9	0	108.4
312	H	29.6	Very low	29.1	Very low	169 Å²	169	138.5 Å²	138.5	78%	0.782	77%	0.766	S	S	*	*			trans	-151.4	128.5	140.8	-98.8	-67.8	0	0	0	112	F310	F310-H312 AromaticContact CD1-CD2 3.84Å
313	Q	25.6	Very low	29.1	Very low	173 Å²	173	138.7 Å²	138.7	81%	0.808	76%	0.759	S	S	*	*			trans	-132	165.4	157.7	-87.3	-170.7	-19	0	0	107.4
314	H	29.9	Very low	29.1	Very low	182 Å²	182	140.8 Å²	140.8	84%	0.843	76%	0.757	S	S	*	*			trans	72.7	127.8	-177.1	-67.7	-82.8	0	0	0	117
315	G	31.3	Very low	29.2	Very low	65 Å²	65	140 Å²	140	67%	0.67	74%	0.743	S	S	*	*			trans	-104.4	146.5	162.5	0	0	0	0	0	111.2
316	Q	33.4	Very low	29	Very low	184 Å²	184	141 Å²	141	86%	0.86	74%	0.741	S	S	*	*			trans	56.8	117.8	143.2	-58.4	-176.5	-3.5	0	0	120.8
317	S	32.8	Very low	29	Very low	108 Å²	108	137.4 Å²	137.4	76%	0.755	73%	0.734	S	S	*	*			trans	59.2	140.8	137.7	58	0	0	0	0	121.8
318	S	33.9	Very low	29	Very low	90 Å²	90	138.4 Å²	138.4	63%	0.629	73%	0.731	S	S	*	*			cis	-163.9	176.4	-17.8	55.1	0	0	0	0	110
319	D	32.7	Very low	29	Very low	141 Å²	141	139.2 Å²	139.2	75%	0.754	73%	0.731	S	S	*	*			trans	66.6	93.8	153.1	-53	-42.5	0	0	0	120.3
320	A	31.7	Very low	29.2	Very low	86 Å²	86	137.8 Å²	137.8	71%	0.711	73%	0.729	S	S	*	*				99.2	117.5	102.5	0	0	0	0	0	120.4
321	V	28.7	Very low	29.4	Very low	124 Å²	124	132.9 Å²	132.9	75%	0.752	73%	0.728	S	S	*	*				94.7	89.9	124.2	170.1	0	0	0	0	119.6
322	L	27.7	Very low	29.5	Very low	142 Å²	142	132.9 Å²	132.9	74%	0.743	73%	0.728	S	S	*	*				76.1	125.2	122.8	-58.3	-174.5	0	0	0	122.5
323	N	27.1	Very low	29.4	Very low	113 Å²	113	132 Å²	132	60%	0.604	73%	0.729	S	S	*	*				82.7	102	124.7	-73.9	33.8	0	0	0	122.9
324	E	27.9	Very low	29.6	Very low	143 Å²	143	127.2 Å²	127.2	67%	0.668	72%	0.719	S	S	*	*				91.7	144.9	103.4	-82.1	-167.9	125.4	0	0	122.8
325	N	27.4	Very low	29.6	Very low	107 Å²	107	125.9 Å²	125.9	57%	0.572	72%	0.718	S	S	*	*			trans	76.4	109.2	135.2	-73.3	-25.1	0	0	0	122.7
326	N	26.5	Very low	29.6	Very low	134 Å²	134	128 Å²	128	72%	0.717	72%	0.722	S	S	*	*				90.4	156.2	119.6	-76.2	-38.9	0	0	0	121.4
327	S	28.2	Very low	29.5	Very low	99 Å²	99	123.6 Å²	123.6	69%	0.692	71%	0.712	S	S	*	*			trans	78.2	123.4	166.6	-36.1	0	0	0	0	114.8
328	K	27.8	Very low	29.5	Very low	191 Å²	191	126.2 Å²	126.2	83%	0.83	71%	0.713	S	S	*	*				56.4	110.8	62.2	-58.5	173.8	-178.4	170.8	0	109.9
329	D	29.9	Very low	29.3	Very low	112 Å²	112	130.3 Å²	130.3	60%	0.599	72%	0.719	S	S	*	*				-164.5	150.1	68.7	-116.4	10.1	0	0	0	113
330	K	28.2	Very low	29.2	Very low	173 Å²	173	131.1 Å²	131.1	75%	0.752	72%	0.723	S	S	*	*				43.6	115	109.6	-56.3	-173.1	-157.4	82.1	0	117.1
331	G	30.3	Very low	29	Very low	73 Å²	73	131 Å²	131	75%	0.753	71%	0.71	S	S	*	*			trans	175.8	66.1	169.9	0	0	0	0	0	110.3
332	K	29	Very low	29.1	Very low	182 Å²	182	133.3 Å²	133.3	79%	0.791	71%	0.71	S	S	*	*				63	129.8	87.5	-84.8	-167.1	174.2	-177.9	0	114.6
333	N	27.9	Very low	29.1	Very low	149 Å²	149	130.4 Å²	130.4	80%	0.797	70%	0.701	S	S	*	*			trans	71.8	145.5	151.2	-62.6	15.1	0	0	0	117.1
334	A	30.4	Very low	29.1	Very low	74 Å²	74	133.7 Å²	133.7	61%	0.612	71%	0.705	S	S	*	*			cis	-161.6	177.9	-17.4	0	0	0	0	0	110
335	D	28.8	Very low	29	Very low	153 Å²	153	135.3 Å²	135.3	82%	0.818	71%	0.705	S	S	*	*			trans	22.9	139.4	135.6	-61.2	-34.6	0	0	0	119.6
336	S	30.9	Very low	28.9	Very low	109 Å²	109	137.7 Å²	137.7	76%	0.762	71%	0.711	S	S	*	*			cis	-163.8	179.6	6.7	48.9	0	0	0	0	107.5
337	S	32.6	Very low	29	Very low	93 Å²	93	139.3 Å²	139.3	65%	0.65	71%	0.714	S	S	*	*			cis	-158.2	163.9	30.7	49.8	0	0	0	0	113.9
338	E	31.7	Very low	29.3	Very low	162 Å²	162	139.4 Å²	139.4	76%	0.757	71%	0.712	S	S	*	*			trans	40	112.6	147	-62.1	178.1	139.5	0	0	118.9
339	K	30.1	Very low	29.1	Very low	176 Å²	176	140.5 Å²	140.5	77%	0.765	71%	0.711	S	S	*	*			cis	43.9	89.8	43.4	-59.5	177.7	-179.7	162.8	0	114.9	N341	K339-N341 PolarHBondContact O-ND2 3.08Å
340	L	30.9	Very low	28.9	Very low	158 Å²	158	142 Å²	142	83%	0.827	72%	0.718	S	S	*	*				-129.5	122.7	115.9	-87.1	108.7	0	0	0	109.9
341	N	28.2	Very low	28.8	Very low	85 Å²	85	138.6 Å²	138.6	46%	0.455	72%	0.716	S	S	.	*			cis	102.8	125.3	34.1	-94.1	-49.9	0	0	0	111.3	K339	K339-N341 PolarHBondContact O-ND2 3.08Å
342	K	29.1	Very low	28.6	Very low	172 Å²	172	143.3 Å²	143.3	75%	0.748	72%	0.723	S	S	*	*			trans	73.3	149.4	138.5	-64.4	168.4	-169.5	163.1	0	116.3
343	S	28.3	Very low	28.6	Very low	80 Å²	80	137.4 Å²	137.4	56%	0.559	71%	0.713	S	S	*	*			cis	-168.4	146.4	-10	-109.9	0	0	0	0	115.1
344	R	27.1	Very low	28.7	Very low	182 Å²	182	135.6 Å²	135.6	69%	0.687	71%	0.712	S	S	*	*				66.6	121.3	128.6	-69	170.5	179.2	-165.4	-2.3	121.9
345	R	25.7	Very low	28.7	Very low	177 Å²	177	137.6 Å²	137.6	67%	0.668	72%	0.717	S	S	*	*				85.7	163.2	119.7	-72.5	173	-178.6	179.1	-5.5	119.3
346	F	25.6	Very low	29	Very low	157 Å²	157	137.8 Å²	137.8	69%	0.689	71%	0.713	S	S	*	*			trans	77.5	110.9	170.2	-54.6	-75.2	0	0	0	113.1
347	H	28.1	Very low	28.9	Very low	169 Å²	169	139.1 Å²	139.1	78%	0.782	71%	0.71	S	S	*	*				63.3	141.2	66.1	-69.5	-78.9	0	0	0	112.2
348	P	34.4	Very low	28.9	Very low	101 Å²	101	140.2 Å²	140.2	66%	0.656	71%	0.709	S	S	*	*			cis	-138.1	-155.6	-33.5	34.7	-13.1	0	0	0	111.3
349	R	24.3	Very low	29	Very low	214 Å²	214	139.4 Å²	139.4	81%	0.808	71%	0.705	S	S	*	*			trans	79	125.6	153.3	-76.6	172.1	178.1	-179.2	-1.2	121.7
350	L	25.1	Very low	29	Very low	143 Å²	143	137.9 Å²	137.9	75%	0.749	70%	0.701	S	S	*	*				73.7	127.6	128.2	-63.8	170.1	0	0	0	123
351	S	25.8	Very low	29.1	Very low	102 Å²	102	136.6 Å²	136.6	71%	0.713	70%	0.7	S	S	*	*			trans	72.8	155.3	131	69.8	0	0	0	0	120.8
352	I	26.8	Very low	29.2	Very low	172 Å²	172	137.4 Å²	137.4	88%	0.882	70%	0.704	S	S	*	*			cis	-159	154.8	-20.3	-109.1	164	0	0	0	107.6
353	G	29.5	Very low	29.3	Very low	58 Å²	58	134.6 Å²	134.6	60%	0.598	70%	0.701	S	S	*	*			trans	139.2	97.1	163.3	0	0	0	0	0	112.7
354	S	29.8	Very low	29.5	Very low	111 Å²	111	138 Å²	138	78%	0.776	71%	0.706	S	S	*	*				71.7	127.1	67.6	78.3	0	0	0	0	112.2
355	T	31.1	Very low	29.6	Very low	116 Å²	116	137.2 Å²	137.2	71%	0.712	71%	0.708	S	S	*	*			cis	-149.6	158.6	22	51	0	0	0	0	110.4
356	Q	33.7	Very low	29.8	Very low	156 Å²	156	133.3 Å²	133.3	73%	0.729	70%	0.7	S	S	*	*			cis	-171	173.1	-11.9	-112.1	173	-103.8	0	0	108.4
357	I	29.9	Very low	30.1	Very low	137 Å²	137	133.2 Å²	133.2	70%	0.703	70%	0.7	S	S	*	*			trans	72.2	133.4	149.9	-79.4	162.7	0	0	0	119.1
358	N	32.1	Very low	30.2	Very low	116 Å²	116	129.6 Å²	129.6	62%	0.62	69%	0.693	S	S	*	*			cis	-164.9	149.2	-31	-116.9	20.4	0	0	0	111.4
359	Q	33.2	Very low	30	Very low	145 Å²	145	133.8 Å²	133.8	68%	0.678	70%	0.701	S	S	*	*			trans	62.9	135.8	137.1	-66.8	-174.4	-63.7	0	0	123.5
360	E	31.3	Very low	30.4	Very low	145 Å²	145	127.7 Å²	127.7	68%	0.678	69%	0.691	S	S	*	*			cis	-170.4	-179.2	-15.9	-137.1	-175.1	-72.7	0	0	113.9
361	T	31.3	Very low	30.7	Very low	131 Å²	131	132 Å²	132	80%	0.804	70%	0.697	S	S	*	*			trans	66.7	-162	167.4	63.1	0	0	0	0	118.3
362	D	30.9	Very low	30.9	Very low	102 Å²	102	135.4 Å²	135.4	55%	0.545	70%	0.7	S	S	.	*				-146.6	-150.3	-101.8	-159	4.9	0	0	0	106.3	K364	D362-K364 IonicContact OD2-NZ 3.75Å; D362-K364 PolarHBondContact OD2-NZ 3.34Å
363	T	32	Very low	31.1	Very low	113 Å²	113	132.1 Å²	132.1	69%	0.693	69%	0.687	S	S	*	*			cis	-144.3	75.2	14.6	-44.2	0	0	0	0	112.9
364	K	31.3	Very low	31.3	Very low	151 Å²	151	134 Å²	134	66%	0.657	69%	0.691	S	S	*	*			trans	66.2	168.5	153.2	-59.2	171.6	178.4	97.5	0	115.6	D362	D362-K364 IonicContact OD2-NZ 3.75Å; D362-K364 PolarHBondContact OD2-NZ 3.34Å
365	F	29.2	Very low	31.4	Very low	165 Å²	165	133.8 Å²	133.8	72%	0.724	69%	0.69	S	S	*	*			cis	-153.5	143.9	3.8	-146	-141.9	0	0	0	111.6
366	D	30.7	Very low	31.4	Very low	95 Å²	95	135.8 Å²	135.8	51%	0.508	70%	0.695	S	S	.	*			trans	24.6	155.5	132.1	-78.9	-30.4	0	0	0	123.3
367	K	32.3	Very low	31.3	Very low	156 Å²	156	137 Å²	137	68%	0.678	70%	0.701	S	S	*	*			cis	-166.2	143.1	6	-125.7	151.7	-163.3	147.8	0	112.3
368	S	29.7	Very low	31.5	Very low	93 Å²	93	137.1 Å²	137.1	65%	0.65	70%	0.698	S	S	*	*			trans	45.5	157.4	133	82.8	0	0	0	0	122.8
369	K	31.2	Very low	31.5	Very low	189 Å²	189	137.7 Å²	137.7	82%	0.822	71%	0.708	S	S	*	*			cis	-172	153.3	17.4	-134	157.2	-167.1	172.2	0	110.8
370	S	32	Very low	31.3	Very low	85 Å²	85	141.1 Å²	141.1	59%	0.594	72%	0.715	S	S	*	*			trans	44.1	135.2	137	149.4	0	0	0	0	120.9
371	R	30.4	Very low	31.3	Very low	233 Å²	233	142.6 Å²	142.6	88%	0.879	71%	0.714	S	S	*	*			cis	-165.3	-157.1	18.2	-114.5	170.7	-177.1	151	-3.6	108.6
372	K	30.7	Very low	31.3	Very low	175 Å²	175	146.5 Å²	146.5	76%	0.761	72%	0.72	S	S	*	*			cis	-144.3	-109.8	10.7	-164.1	-153.6	172.3	-174.6	0	113.6
373	T	31.9	Very low	31.1	Very low	102 Å²	102	145 Å²	145	63%	0.626	73%	0.728	S	S	*	*			trans	-167	161.9	-165.8	56.5	0	0	0	0	107.2
374	S	33.9	Very low	30.9	Very low	97 Å²	97	146.2 Å²	146.2	68%	0.678	74%	0.736	S	S	*	*			cis	-158.6	134.3	37.6	45.3	0	0	0	0	111.6
375	S	30.5	Very low	30.7	Very low	107 Å²	107	145 Å²	145	75%	0.748	75%	0.747	S	S	*	*				77.9	115.5	87.5	-46.6	0	0	0	0	116.3
376	I	31.4	Very low	30.6	Very low	158 Å²	158	141.6 Å²	141.6	81%	0.81	74%	0.743	S	S	*	*			trans	-172	137.3	138.5	-100.7	155.6	0	0	0	111.6
377	E	31.5	Very low	30.5	Very low	183 Å²	183	144.2 Å²	144.2	86%	0.855	75%	0.752	S	S	*	*			trans	55.3	169.1	161.6	-68.7	-177.4	130.6	0	0	124.6
378	Q	33.5	Very low	30.3	Very low	139 Å²	139	143 Å²	143	65%	0.65	75%	0.749	S	S	*	*			trans	-154.7	147.9	-167.8	-67.4	-175.1	1	0	0	113.5
379	P	32.5	Very low	31.1	Very low	128 Å²	128	144 Å²	144	83%	0.831	74%	0.743	S	S	*	*			trans	-104.7	-173.4	143.8	-11.7	31.3	0	0	0	114.2
380	R	29	Very low	32.1	Very low	216 Å²	216	137.8 Å²	137.8	82%	0.815	72%	0.717	S	S	*	*			trans	-130.1	144	-159.1	-65.2	173.7	173.9	167.3	-2	116.5
381	R	32.4	Very low	33.4	Very low	177 Å²	177	138.2 Å²	138.2	67%	0.668	71%	0.71	S	S	*	*			trans	80.6	151.1	139.3	-82.7	173.7	172.4	171.7	-4.4	122.4
382	K	30.1	Very low	35.6	Very low	212 Å²	212	127.7 Å²	127.7	92%	0.922	67%	0.67	S	S	*	*			trans	68.7	148.8	172.2	-60.2	178.2	-179.8	-177.2	0	114.3
383	G	28.2	Very low	37.9	Very low	70 Å²	70	123.5 Å²	123.5	72%	0.722	65%	0.65	S	S	*	*			cis	-153.6	180	-5.2	0	0	0	0	0	111
384	T	26.3	Very low	40.6	Very low	140 Å²	140	120.2 Å²	120.2	86%	0.859	63%	0.626	S	S	*	*			trans	-75.3	132.3	178.4	42	0	0	0	0	112.1	S386	T384-S386 PolarHBondContact O-N 2.9Å
385	S	27.7	Very low	43.1	Very low	126 Å²	126	116.2 Å²	116.2	88%	0.881	60%	0.597	S	S	*	*			trans	-69.1	96.8	173.8	-47.8	0	0	0	0	111.3
386	S	27	Very low	45.8	Very low	93 Å²	93	111.8 Å²	111.8	65%	0.65	57%	0.566	S	S	*	*			trans	-64.8	127.9	161.5	48.9	0	0	0	0	109.1	T384 Q388	T384-S386 PolarHBondContact O-N 2.9Å; S386-Q388 PolarHBondContact O-N 3.33Å
387	Q	28.6	Very low	48.6	Very low	149 Å²	149	106.5 Å²	106.5	70%	0.696	54%	0.538	S	S	*	.			trans	-61.4	109.7	170.3	-71.7	171.9	-29.6	0	0	108.7	P54 Q389	P54-Q387 HydrophobicContact CB-CB 4.4Å; P54-Q387 HydrophobicContact CG-CG 4.41Å; Q387-Q389 VanDerWaalsContact C-N 3.3Å; Q387-Q389 PolarHBondContact O-N 3.01Å
388	Q	28.5	Very low	51.2	Low	131 Å²	131	98.3 Å²	98.3	61%	0.612	50%	0.502	S	S	*	.			trans	-76.8	87.3	170.7	-73.5	179.7	-27.5	0	0	108.1	S386	S386-Q388 PolarHBondContact O-N 3.33Å
389	Q	47	Very low	53.9	Low	114 Å²	114	92.2 Å²	92.2	53%	0.533	47%	0.473	S	S	.	.			trans	-58.6	139.1	155.2	-66.1	-180	-10.7	0	0	107.4	Q387 Q391	Q387-Q389 VanDerWaalsContact C-N 3.3Å; Q387-Q389 PolarHBondContact O-N 3.01Å; Q389-Q391 PolarHBondContact O-N 3.38Å
390	Q	51.1	Low	56.8	Low	58 Å²	58	86.1 Å²	86.1	27%	0.271	43%	0.434	S	S	.	.			trans	-65.8	102.1	176.6	-63.8	-168.7	31.9	0	0	108.9	E50 F392	E50-Q390 PolarHBondContact O-NE2 3.24Å; Q390-F392 HydrophobicContact CB-CE2 4.41Å; Q390-F392 WeakPolarHBondContact O-CD2 3.2Å; Q390-F392 PolarHBondContact O-N 3.31Å; Q390-F392 VanDerWaalsContact O-N 3.12Å
391	Q	60	Low	59.9	Low	95 Å²	95	75.9 Å²	75.9	44%	0.444	40%	0.395	S	S	.	.			trans	-78.6	97	179.7	-178.8	175.9	-22.2	0	0	109	Q389	Q389-Q391 PolarHBondContact O-N 3.38Å
392	F	76.6	Confident	62.7	Low	11 Å²	11	67.4 Å²	67.4	5%	0.048	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-61.7	150.4	169.1	-66.4	-100.8	0	0	0	110.1	H274 Q277 A278 Q390 F541	H274-F392 AromaticContact CE1-CE1 3.88Å; H274-F392 AromaticContact NE2-CE1 3.48Å; H274-F392 WeakPolarHBondContact NE2-CE1 3.4Å; H274-F392 AromaticContact NE2-CZ 3.74Å; Q277-F392 HydrophobicContact CB-CB 4.35Å; Q277-F392 HydrophobicContact CB-CD1 4.46Å; A278-F392 HydrophobicContact CB-CD1 4.03Å; A278-F392 HydrophobicContact CB-CE1 3.9Å; Q390-F392 HydrophobicContact CB-CE2 4.41Å; Q390-F392 WeakPolarHBondContact O-CD2 3.2Å; Q390-F392 PolarHBondContact O-N 3.31Å; Q390-F392 VanDerWaalsContact O-N 3.12Å; F392-F541 HydrophobicContact CB-CZ 4.01Å; F392-F541 AromaticContact CD1-CZ 3.96Å; F392-F541 HydrophobicContact CD1-CZ 3.96Å; F392-F541 HydrophobicContact CD2-CE2 4.22Å; F392-F541 AromaticContact CD2-CZ 3.92Å; F392-F541 HydrophobicContact CD2-CZ 3.92Å; F392-F541 HydrophobicContact CE1-CZ 4.42Å; F392-F541 HydrophobicContact CE2-CZ 4.39Å; F392-F541 HydrophobicContact CG-CE2 4.41Å; F392-F541 AromaticContact CG-CZ 3.7Å; F392-F541 HydrophobicContact CG-CZ 3.7Å
393	R	79.3	Confident	65.8	Low	88 Å²	88	57.3 Å²	57.3	33%	0.332	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-65.4	141.1	173.7	-61.7	-171.1	-176.7	-143.3	-5	109.8	Q277 S279	Q277-R393 WeakPolarHBondContact CB-O 3.45Å; Q277-R393 WeakPolarHBondContact CG-O 3.14Å; Q277-R393 PolarHBondContact NE2-O 2.81Å; Q277-R393 PolarHBondContact O-N 3.41Å; S279-R393 WeakPolarHBondContact O-CD 3.49Å; S279-R393 PolarHBondContact O-NE 3.34Å
394	R	87	Confident	69.1	Low	32 Å²	32	54 Å²	54	12%	0.121	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-79.9	147.1	167.7	-38.6	-167.7	-169.4	100.1	18.6	108.2	L543 T544 Y571 D678	R394-L543 WeakPolarHBondContact CD-O 3.33Å; R394-T544 WeakPolarHBondContact CD-O 3.2Å; R394-T544 WeakPolarHBondContact CG-O 3.18Å; R394-T544 PolarHBondContact NE-O 3.04Å; R394-Y571 PolarHBondContact NE-OH 3.21Å; R394-D678 IonicContact CZ-OD2 3.58Å; R394-D678 IonicContact NH1-OD1 2.66Å; R394-D678 IonicContact NH1-OD2 2.68Å; R394-D678 PolarHBondContact NH1-OD2 2.86Å; R394-D678 IonicContact NH2-OD2 3.74Å; R394-D678 PolarHBondContact NH2-OD2 2.86Å
395	L	87.7	Confident	72.3	Confident	14 Å²	14	47.5 Å²	47.5	7%	0.073	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-81.3	147.4	165.4	-59.6	-176	0	0	0	109.4	V273 L276 Q277 A400 Y403 M542	V273-L395 HydrophobicContact CG1-CD1 4.04Å; L276-L395 HydrophobicContact CD2-CD2 3.91Å; L276-L395 HydrophobicContact CG-CD2 4.28Å; Q277-L395 HydrophobicContact CG-CD2 3.96Å; Q277-L395 HydrophobicContact CG-CG 4.09Å; L395-A400 HydrophobicContact CB-CB 4.11Å; L395-Y403 HydrophobicContact CD1-CD2 3.67Å; L395-Y403 HydrophobicContact CD1-CE2 3.86Å; L395-M542 HydrophobicContact CD1-CB 4.11Å; L395-M542 HydrophobicContact CD1-CG 3.99Å; L395-M542 HydrophobicContact CD1-SD 4.01Å; L395-M542 PolarHBondContact N-O 3.27Å
396	P	87	Confident	75.5	Confident	14 Å²	14	41.5 Å²	41.5	9%	0.091	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-54.2	142.3	164.8	11.8	-19.2	0	0	0	110.3	A398 Q399 A400 W657	P396-A398 PolarHBondContact O-N 2.91Å; P396-A398 VanDerWaalsContact O-N 3.12Å; P396-Q399 HydrophobicContact CG-CB 3.76Å; P396-Q399 PolarHBondContact O-N 3.03Å; P396-A400 PolarHBondContact O-N 3.38Å; P396-W657 HydrophobicContact CB-CD2 3.95Å; P396-W657 HydrophobicContact CB-CE3 3.95Å; P396-W657 HydrophobicContact CB-CH2 3.5Å; P396-W657 VanDerWaalsContact CB-CH2 3.5Å; P396-W657 HydrophobicContact CB-CZ2 3.58Å; P396-W657 HydrophobicContact CB-CZ3 3.74Å; P396-W657 HydrophobicContact CG-CD2 4.22Å; P396-W657 HydrophobicContact CG-CE3 3.73Å; P396-W657 HydrophobicContact CG-CH2 3.7Å; P396-W657 HydrophobicContact CG-CZ2 4.26Å; P396-W657 HydrophobicContact CG-CZ3 3.45Å; P396-W657 VanDerWaalsContact CG-CZ3 3.45Å
397	E	89.4	Confident	78.8	Confident	46 Å²	46	37.1 Å²	37.1	22%	0.215	17%	0.172	C	C	.	.	H	α-helix	trans	-55.6	-36.8	-176.5	-169.8	167.9	142.8	0	0	111.9	Q399 H401 L543 S573 W602 P607	E397-Q399 PolarHBondContact O-N 3.37Å; E397-H401 WeakPolarHBondContact O-CB 3.3Å; E397-H401 PolarHBondContact O-N 2.93Å; E397-L543 HydrophobicContact CB-CD2 4.05Å; E397-L543 HydrophobicContact CG-CD2 3.84Å; E397-S573 WeakPolarHBondContact OE1-CB 3.32Å; E397-S573 PolarHBondContact OE1-OG 2.87Å; E397-S573 WeakPolarHBondContact OE2-CB 3.37Å; E397-S573 PolarHBondContact OE2-N 3.01Å; E397-W602 HydrophobicContact CG-CZ2 3.89Å; E397-W602 PolarHBondContact OE1-NE1 3.18Å; E397-P607 HydrophobicContact CG-CB 4.24Å
398	A	87.2	Confident	82	Confident	12 Å²	12	30.1 Å²	30.1	10%	0.099	14%	0.139	C	C	.	.	H	α-helix	trans	-58.5	-41.2	172.5	0	0	0	0	0	114.8	P396 A402 L477 P607	P396-A398 PolarHBondContact O-N 2.91Å; P396-A398 VanDerWaalsContact O-N 3.12Å; A398-A402 WeakPolarHBondContact O-CB 3.31Å; A398-A402 PolarHBondContact O-N 3.43Å; A398-L477 HydrophobicContact CB-CD2 3.9Å; A398-P607 HydrophobicContact CB-CG 4.2Å
399	Q	89.4	Confident	85	Confident	11 Å²	11	25 Å²	25	5%	0.051	12%	0.116	C	C	.	.	H	α-helix	trans	-79.7	-41.4	179.9	-173.6	176.3	-3.2	0	0	111.2	P396 E397 H401 A402 Y403 L477	P396-Q399 HydrophobicContact CG-CB 3.76Å; P396-Q399 PolarHBondContact O-N 3.03Å; E397-Q399 PolarHBondContact O-N 3.37Å; Q399-H401 VanDerWaalsContact C-N 3.26Å; Q399-H401 PolarHBondContact O-N 3.47Å; Q399-A402 PolarHBondContact O-N 3.28Å; Q399-Y403 HydrophobicContact CG-CD1 4.47Å; Q399-Y403 HydrophobicContact CG-CD2 4.4Å; Q399-Y403 HydrophobicContact CG-CE1 4.06Å; Q399-Y403 HydrophobicContact CG-CE2 3.98Å; Q399-Y403 PolarHBondContact NE2-OH 2.71Å; Q399-Y403 WeakPolarHBondContact O-CB 3.22Å; Q399-Y403 VanDerWaalsContact O-CG 3.3Å; Q399-Y403 PolarHBondContact O-N 3.33Å; Q399-L477 WeakPolarHBondContact CA-O 3.05Å
400	A	93.9	Very high	87.3	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-58	-41.5	172	0	0	0	0	0	111.4	L395 P396 F404 M542 L543	L395-A400 HydrophobicContact CB-CB 4.11Å; P396-A400 PolarHBondContact O-N 3.38Å; A400-F404 WeakPolarHBondContact O-CB 3.37Å; A400-F404 PolarHBondContact O-N 3.13Å; A400-M542 HydrophobicContact CB-CB 4.05Å; A400-L543 HydrophobicContact CB-CD2 3.53Å; A400-L543 HydrophobicContact CB-CG 4.03Å
401	H	93.7	Very high	89.5	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.9	-54.6	173.6	173.7	-109.4	0	0	0	112	E397 Q399 Y403 F404 L405 R469 W602 D606 P607	E397-H401 WeakPolarHBondContact O-CB 3.3Å; E397-H401 PolarHBondContact O-N 2.93Å; Q399-H401 VanDerWaalsContact C-N 3.26Å; Q399-H401 PolarHBondContact O-N 3.47Å; H401-Y403 VanDerWaalsContact C-N 3.25Å; H401-Y403 PolarHBondContact O-N 2.99Å; H401-F404 PolarHBondContact O-N 2.8Å; H401-L405 WeakPolarHBondContact O-CG 3.12Å; H401-L405 PolarHBondContact O-N 2.94Å; H401-R469 PolarHBondContact NE2-NH1 2.93Å; H401-R469 PolarHBondContact NE2-NH2 3.06Å; H401-W602 HydrophobicContact CB-CH2 3.63Å; H401-W602 HydrophobicContact CB-CZ2 3.64Å; H401-W602 HydrophobicContact CB-CZ3 4.33Å; H401-W602 AromaticContact CD2-CE3 3.91Å; H401-W602 AromaticContact CD2-CZ3 3.89Å; H401-W602 PolarHBondContact CD2-O 2.87Å; H401-D606 IonicContact CE1-OD1 3.37Å; H401-D606 PolarHBondContact CE1-OD1 2.91Å; H401-D606 VanDerWaalsContact CE1-OD1 3.23Å; H401-D606 IonicContact ND1-OD1 2.88Å; H401-D606 IonicContact NE2-OD1 3.04Å; H401-D606 PolarHBondContact NE2-OD1 2.94Å; H401-P607 HydrophobicContact CB-CG 4.02Å; H401-P607 WeakPolarHBondContact CE1-CD 3.42Å; H401-P607 VanDerWaalsContact ND1-CD 3.31Å; H401-P607 WeakPolarHBondContact ND1-CD 3.34Å
402	A	91.7	Very high	91.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.4	-28.6	179.6	0	0	0	0	0	113.8	A398 Q399 Q406 L474 L477	A398-A402 WeakPolarHBondContact O-CB 3.31Å; A398-A402 PolarHBondContact O-N 3.43Å; Q399-A402 PolarHBondContact O-N 3.28Å; A402-Q406 WeakPolarHBondContact O-CG 3.13Å; A402-Q406 PolarHBondContact O-NE2 3.04Å; A402-L474 HydrophobicContact CB-CD1 4.35Å; A402-L477 HydrophobicContact CB-CB 3.63Å
403	Y	94.9	Very high	91.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-73.6	-39.2	169.9	-71.7	-1	0	0	0	112.1	V273 L276 L395 Q399 H401 Q406 L407 L431 W481 V483 M542	V273-Y403 HydrophobicContact CG1-CD2 4.39Å; V273-Y403 HydrophobicContact CG2-CD2 3.89Å; V273-Y403 HydrophobicContact CG2-CE2 4.03Å; L276-Y403 HydrophobicContact CD2-CE2 4.02Å; L395-Y403 HydrophobicContact CD1-CD2 3.67Å; L395-Y403 HydrophobicContact CD1-CE2 3.86Å; Q399-Y403 HydrophobicContact CG-CD1 4.47Å; Q399-Y403 HydrophobicContact CG-CD2 4.4Å; Q399-Y403 HydrophobicContact CG-CE1 4.06Å; Q399-Y403 HydrophobicContact CG-CE2 3.98Å; Q399-Y403 PolarHBondContact NE2-OH 2.71Å; Q399-Y403 WeakPolarHBondContact O-CB 3.22Å; Q399-Y403 VanDerWaalsContact O-CG 3.3Å; Q399-Y403 PolarHBondContact O-N 3.33Å; H401-Y403 VanDerWaalsContact C-N 3.25Å; H401-Y403 PolarHBondContact O-N 2.99Å; Y403-Q406 PolarHBondContact O-N 3.39Å; Y403-L407 PolarHBondContact O-N 3.21Å; Y403-L431 HydrophobicContact CE1-CD2 4.15Å; Y403-L431 HydrophobicContact CE2-CD1 4.45Å; Y403-L431 HydrophobicContact CE2-CD2 4.07Å; Y403-W481 HydrophobicContact CE1-CB 4.12Å; Y403-V483 HydrophobicContact CD1-CG2 3.55Å; Y403-V483 HydrophobicContact CD2-CG2 4.4Å; Y403-V483 HydrophobicContact CE1-CG2 4.18Å; Y403-V483 HydrophobicContact CG-CG2 3.67Å; Y403-M542 HydrophobicContact CD2-SD 4.35Å
404	F	96.6	Very high	92.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-68.6	-38.3	179.2	-175.8	-96.6	0	0	0	113.2	A400 H401 Q406 L407 I408 L539 M542 L579 M583 I597 W602 Y603	A400-F404 WeakPolarHBondContact O-CB 3.37Å; A400-F404 PolarHBondContact O-N 3.13Å; H401-F404 PolarHBondContact O-N 2.8Å; F404-Q406 VanDerWaalsContact C-N 3.32Å; F404-Q406 PolarHBondContact O-N 3.47Å; F404-L407 HydrophobicContact CD2-CD2 4.23Å; F404-L407 WeakPolarHBondContact O-CB 3.28Å; F404-L407 PolarHBondContact O-N 3.25Å; F404-I408 HydrophobicContact CD1-CG1 4.07Å; F404-I408 HydrophobicContact CE1-CD1 4.12Å; F404-I408 HydrophobicContact CE1-CG1 3.56Å; F404-I408 HydrophobicContact CE2-CD1 4.24Å; F404-I408 HydrophobicContact CE2-CG1 4.2Å; F404-I408 HydrophobicContact CZ-CD1 3.69Å; F404-I408 HydrophobicContact CZ-CG1 3.61Å; F404-I408 WeakPolarHBondContact O-CG1 3.38Å; F404-I408 PolarHBondContact O-N 3.21Å; F404-L539 HydrophobicContact CB-CD1 4.24Å; F404-L539 HydrophobicContact CD1-CD2 4.48Å; F404-L539 HydrophobicContact CD2-CB 3.87Å; F404-L539 HydrophobicContact CD2-CD1 4.06Å; F404-L539 HydrophobicContact CD2-CD2 3.99Å; F404-L539 HydrophobicContact CD2-CG 4.18Å; F404-L539 HydrophobicContact CE1-CD2 4.4Å; F404-L539 HydrophobicContact CE2-CB 3.96Å; F404-L539 HydrophobicContact CE2-CD2 3.91Å; F404-L539 HydrophobicContact CE2-CG 4.41Å; F404-L539 HydrophobicContact CG-CD1 4.17Å; F404-L539 HydrophobicContact CG-CD2 4.28Å; F404-L539 HydrophobicContact CZ-CD2 4.13Å; F404-M542 HydrophobicContact CB-CE 4.19Å; F404-M542 HydrophobicContact CD2-CE 4.5Å; F404-L579 HydrophobicContact CE1-CD2 3.95Å; F404-L579 HydrophobicContact CZ-CD2 4.37Å; F404-M583 HydrophobicContact CE2-CE 3.86Å; F404-M583 HydrophobicContact CE2-SD 4.14Å; F404-M583 HydrophobicContact CZ-CE 3.63Å; F404-M583 HydrophobicContact CZ-SD 3.54Å; F404-M583 VanDerWaalsContact CZ-SD 3.54Å; F404-I597 HydrophobicContact CE1-CG2 3.94Å; F404-I597 HydrophobicContact CZ-CG2 4.19Å; F404-W602 HydrophobicContact CB-CH2 4.44Å; F404-W602 HydrophobicContact CB-CZ3 4.16Å; F404-W602 HydrophobicContact CD1-CE3 4.46Å; F404-W602 AromaticContact CD1-CZ3 3.76Å; F404-W602 HydrophobicContact CD1-CZ3 3.76Å; F404-W602 HydrophobicContact CE1-CZ3 4.47Å; F404-W602 HydrophobicContact CG-CZ3 4.07Å; F404-Y603 HydrophobicContact CD1-CD2 4.47Å; F404-Y603 HydrophobicContact CE1-CD2 4.22Å
405	L	94.2	Very high	92.9	Very high	4 Å²	4	12 Å²	12	2%	0.021	6%	0.06	C	C	.	.	H	α-helix	trans	-56.4	-48.1	173.1	-66.2	-178.9	0	0	0	110.9	H401 I408 D409 L474 Y603	H401-L405 WeakPolarHBondContact O-CG 3.12Å; H401-L405 PolarHBondContact O-N 2.94Å; L405-I408 PolarHBondContact O-N 3.02Å; L405-D409 PolarHBondContact O-N 3.45Å; L405-D409 VanDerWaalsContact O-N 3.07Å; L405-L474 HydrophobicContact CB-CD1 4.17Å; L405-L474 HydrophobicContact CD1-CD1 3.81Å; L405-Y603 HydrophobicContact CD2-CD1 3.83Å; L405-Y603 HydrophobicContact CD2-CD2 3.57Å; L405-Y603 HydrophobicContact CD2-CE1 3.68Å; L405-Y603 HydrophobicContact CD2-CE2 3.43Å; L405-Y603 VanDerWaalsContact CD2-CE2 3.43Å; L405-Y603 HydrophobicContact CD2-CG 3.76Å; L405-Y603 VanDerWaalsContact CD2-CZ 3.48Å
406	Q	94	Very high	93	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.5	-40.1	178.2	-67.9	-179.3	70.2	0	0	112.9	H246 A402 Y403 F404 I408 D409 G410 L474 W481 L482 V483	H246-Q406 PolarHBondContact CE1-OE1 3.37Å; H246-Q406 PolarHBondContact ND1-OE1 3.34Å; A402-Q406 WeakPolarHBondContact O-CG 3.13Å; A402-Q406 PolarHBondContact O-NE2 3.04Å; Y403-Q406 PolarHBondContact O-N 3.39Å; F404-Q406 VanDerWaalsContact C-N 3.32Å; F404-Q406 PolarHBondContact O-N 3.47Å; Q406-I408 VanDerWaalsContact C-N 3.35Å; Q406-I408 PolarHBondContact O-N 2.79Å; Q406-D409 PolarHBondContact O-N 2.98Å; Q406-G410 PolarHBondContact O-N 3.36Å; Q406-L474 HydrophobicContact CG-CD2 3.93Å; Q406-W481 PolarHBondContact NE2-O 2.96Å; Q406-L482 VanDerWaalsContact OE1-CA 3.27Å; Q406-V483 HydrophobicContact CB-CB 4.02Å; Q406-V483 HydrophobicContact CB-CG2 4.45Å
407	L	96.7	Very high	93.1	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-58.2	-45	172.1	168.9	58.8	0	0	0	111.6	Y403 F404 G410 L411 I424 L429 L485 A535 T538	Y403-L407 PolarHBondContact O-N 3.21Å; F404-L407 HydrophobicContact CD2-CD2 4.23Å; F404-L407 WeakPolarHBondContact O-CB 3.28Å; F404-L407 PolarHBondContact O-N 3.25Å; L407-G410 PolarHBondContact O-N 2.88Å; L407-L411 HydrophobicContact CD1-CD1 3.88Å; L407-L411 HydrophobicContact CD1-CG 4.11Å; L407-L411 HydrophobicContact CG-CD1 4.17Å; L407-L411 WeakPolarHBondContact O-CB 3.31Å; L407-L411 PolarHBondContact O-N 2.85Å; L407-I424 HydrophobicContact CD1-CD1 4.45Å; L407-I424 HydrophobicContact CD1-CG2 4.08Å; L407-I424 HydrophobicContact CD2-CG2 4.28Å; L407-L429 HydrophobicContact CD1-CD2 3.82Å; L407-L429 HydrophobicContact CD2-CD1 4.34Å; L407-L485 HydrophobicContact CD1-CD1 4.38Å; L407-L485 HydrophobicContact CD1-CD2 3.78Å; L407-L485 HydrophobicContact CD1-CG 4.42Å; L407-A535 HydrophobicContact CD2-CB 4.19Å; L407-T538 HydrophobicContact CD2-CG2 4.29Å
408	I	96.5	Very high	93.1	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-68.5	-36.5	-179.3	-68.6	-66.4	0	0	0	112	F404 L405 Q406 H412 L594 I597 R598 Y603	F404-I408 HydrophobicContact CD1-CG1 4.07Å; F404-I408 HydrophobicContact CE1-CD1 4.12Å; F404-I408 HydrophobicContact CE1-CG1 3.56Å; F404-I408 HydrophobicContact CE2-CD1 4.24Å; F404-I408 HydrophobicContact CE2-CG1 4.2Å; F404-I408 HydrophobicContact CZ-CD1 3.69Å; F404-I408 HydrophobicContact CZ-CG1 3.61Å; F404-I408 WeakPolarHBondContact O-CG1 3.38Å; F404-I408 PolarHBondContact O-N 3.21Å; L405-I408 PolarHBondContact O-N 3.02Å; Q406-I408 VanDerWaalsContact C-N 3.35Å; Q406-I408 PolarHBondContact O-N 2.79Å; I408-H412 VanDerWaalsContact O-CB 3.3Å; I408-H412 WeakPolarHBondContact O-CB 3.15Å; I408-H412 PolarHBondContact O-N 3.35Å; I408-L594 HydrophobicContact CD1-CD2 3.74Å; I408-L594 HydrophobicContact CG2-CD2 4.46Å; I408-I597 HydrophobicContact CD1-CD1 4.11Å; I408-I597 HydrophobicContact CD1-CG2 4.02Å; I408-I597 HydrophobicContact CG1-CG2 4.14Å; I408-R598 HydrophobicContact CG2-CG 4.47Å; I408-Y603 HydrophobicContact CB-CE2 3.88Å; I408-Y603 HydrophobicContact CG1-CE2 4.11Å; I408-Y603 HydrophobicContact CG2-CE2 3.71Å
409	D	92.2	Very high	93.3	Very high	25 Å²	25	19.8 Å²	19.8	13%	0.134	9%	0.093	C	C	.	.	H	α-helix	trans	-70	-37.2	172.8	-84.2	-52.4	0	0	0	112.6	L405 Q406 H412 F413 F466 R598	L405-D409 PolarHBondContact O-N 3.45Å; L405-D409 VanDerWaalsContact O-N 3.07Å; Q406-D409 PolarHBondContact O-N 2.98Å; D409-H412 PolarHBondContact O-N 3.49Å; D409-F413 PolarHBondContact O-N 3.24Å; D409-F466 WeakPolarHBondContact OD2-CE2 3.48Å; D409-R598 IonicContact OD1-CZ 3.92Å; D409-R598 IonicContact OD1-NH1 2.79Å; D409-R598 PolarHBondContact OD1-NH1 3.32Å; D409-R598 IonicContact OD1-NH2 2.92Å; D409-R598 PolarHBondContact OD1-NH2 3.49Å; D409-R598 IonicContact OD2-CZ 2.66Å; D409-R598 IonicContact OD2-NH2 3.15Å; D409-R598 PolarHBondContact OD2-NH2 3.2Å
410	G	94.8	Very high	93.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.9	-45.8	170.9	0	0	0	0	0	112.9	Q406 L407 F413 L414	Q406-G410 PolarHBondContact O-N 3.36Å; L407-G410 PolarHBondContact O-N 2.88Å; G410-F413 WeakPolarHBondContact O-CB 3.36Å; G410-F413 PolarHBondContact O-N 2.98Å; G410-L414 WeakPolarHBondContact O-CG 3.47Å; G410-L414 PolarHBondContact O-N 3.36Å
411	L	95.9	Very high	93.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.3	-41.3	174.2	-84.8	171.6	0	0	0	112.3	L407 F413 L414 H415 I424 L485 D531 A535 L594	L407-L411 HydrophobicContact CD1-CD1 3.88Å; L407-L411 HydrophobicContact CD1-CG 4.11Å; L407-L411 HydrophobicContact CG-CD1 4.17Å; L407-L411 WeakPolarHBondContact O-CB 3.31Å; L407-L411 PolarHBondContact O-N 2.85Å; L411-F413 VanDerWaalsContact C-N 3.32Å; L411-F413 PolarHBondContact O-N 3.08Å; L411-L414 PolarHBondContact O-N 2.99Å; L411-H415 WeakPolarHBondContact O-CB 3.47Å; L411-H415 PolarHBondContact O-N 2.86Å; L411-I424 HydrophobicContact CD1-CD1 4.47Å; L411-I424 HydrophobicContact CD1-CG1 4.46Å; L411-I424 HydrophobicContact CD2-CD1 3.71Å; L411-I424 HydrophobicContact CD2-CG1 4.03Å; L411-I424 HydrophobicContact CG-CD1 4.25Å; L411-L485 HydrophobicContact CG-CD1 4.38Å; L411-D531 HydrophobicContact CD2-CB 3.94Å; L411-A535 HydrophobicContact CD1-CB 4.04Å; L411-L594 HydrophobicContact CB-CD1 4.06Å; L411-L594 HydrophobicContact CB-CD2 4.26Å
412	H	94.2	Very high	93.4	Very high	62 Å²	62	20.4 Å²	20.4	29%	0.287	10%	0.095	S	C	.	.	H	α-helix	trans	-63.7	-39.1	177.3	-175.9	56.1	0	0	0	111.8	I408 D409 R416 L594	I408-H412 VanDerWaalsContact O-CB 3.3Å; I408-H412 WeakPolarHBondContact O-CB 3.15Å; I408-H412 PolarHBondContact O-N 3.35Å; D409-H412 PolarHBondContact O-N 3.49Å; H412-R416 WeakPolarHBondContact O-CB 3.48Å; H412-R416 PolarHBondContact O-N 2.91Å; H412-L594 HydrophobicContact CB-CD1 4.04Å
413	F	93.8	Very high	93.3	Very high	35 Å²	35	20.9 Å²	20.9	15%	0.154	10%	0.097	C	C	.	.	H	α-helix	trans	-60.9	-47.3	171.2	170	-93.9	0	0	0	112.1	L241 S242 C244 V247 D409 G410 L411 R416 N417	L241-F413 HydrophobicContact CD1-CE1 4.46Å; L241-F413 HydrophobicContact CD2-CE1 4.01Å; L241-F413 HydrophobicContact CD2-CZ 4.31Å; S242-F413 VanDerWaalsContact O-CZ 3.29Å; S242-F413 WeakPolarHBondContact O-CZ 3.21Å; S242-F413 WeakPolarHBondContact OG-CE2 3.46Å; C244-F413 HydrophobicContact CB-CD1 3.7Å; C244-F413 HydrophobicContact CB-CD2 4.07Å; C244-F413 HydrophobicContact CB-CE1 3.57Å; C244-F413 HydrophobicContact CB-CE2 3.95Å; C244-F413 HydrophobicContact CB-CG 3.96Å; C244-F413 HydrophobicContact CB-CZ 3.71Å; C244-F413 VanDerWaalsContact SG-CG 3.57Å; V247-F413 HydrophobicContact CG2-CD1 3.93Å; V247-F413 HydrophobicContact CG2-CE1 4.15Å; D409-F413 PolarHBondContact O-N 3.24Å; G410-F413 WeakPolarHBondContact O-CB 3.36Å; G410-F413 PolarHBondContact O-N 2.98Å; L411-F413 VanDerWaalsContact C-N 3.32Å; L411-F413 PolarHBondContact O-N 3.08Å; F413-R416 PolarHBondContact O-N 2.98Å; F413-N417 WeakPolarHBondContact CE2-ND2 3.28Å; F413-N417 PolarHBondContact O-N 2.91Å; F413-N417 PolarHBondContact O-ND2 3.42Å
414	L	93.4	Very high	93.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.1	-51.2	179.4	-69	176.8	0	0	0	111.9	L241 V247 G410 L411 R416 N417 G418 V419 H421 L485 F488	L241-L414 HydrophobicContact CD1-CD2 3.61Å; L241-L414 HydrophobicContact CD2-CD2 4.46Å; V247-L414 HydrophobicContact CG2-CD2 4.04Å; V247-L414 HydrophobicContact CG2-CG 4.31Å; G410-L414 WeakPolarHBondContact O-CG 3.47Å; G410-L414 PolarHBondContact O-N 3.36Å; L411-L414 PolarHBondContact O-N 2.99Å; L414-R416 VanDerWaalsContact C-N 3.29Å; L414-R416 PolarHBondContact O-N 2.88Å; L414-N417 CarbonylContact O-C 3.6Å; L414-N417 WeakPolarHBondContact O-CA 3.48Å; L414-N417 PolarHBondContact O-N 2.93Å; L414-G418 PolarHBondContact O-N 2.89Å; L414-V419 CarbonylContact C-O 3.17Å; L414-V419 HydrophobicContact CB-CB 4.22Å; L414-V419 HydrophobicContact CB-CG1 4.35Å; L414-V419 WeakPolarHBondContact CB-O 3.47Å; L414-V419 HydrophobicContact CD2-CB 4.27Å; L414-V419 HydrophobicContact CD2-CG1 4.04Å; L414-V419 PolarHBondContact O-N 2.62Å; L414-H421 HydrophobicContact CD1-CB 4.39Å; L414-L485 HydrophobicContact CD1-CD1 3.72Å; L414-F488 HydrophobicContact CD1-CE1 3.83Å; L414-F488 HydrophobicContact CD1-CZ 4.32Å; L414-F488 HydrophobicContact CD2-CE1 3.74Å; L414-F488 HydrophobicContact CD2-CZ 4.12Å; L414-F488 HydrophobicContact CG-CE1 4.47Å
415	H	93.6	Very high	93.2	Very high	26 Å²	26	22 Å²	22	12%	0.12	10%	0.102	C	C	.	.	H	α-helix	trans	-60	-39.7	-179.8	-67.8	-175.1	0	0	0	111.4	L411 N417 G418 V419 D531 L594	L411-H415 WeakPolarHBondContact O-CB 3.47Å; L411-H415 PolarHBondContact O-N 2.86Å; H415-N417 VanDerWaalsContact C-N 3.25Å; H415-N417 PolarHBondContact O-N 2.72Å; H415-G418 PolarHBondContact O-N 3.35Å; H415-V419 PolarHBondContact CD2-O 3.01Å; H415-V419 PolarHBondContact N-O 2.88Å; H415-D531 IonicContact CD2-OD2 3.25Å; H415-D531 IonicContact CE1-OD2 2.81Å; H415-D531 IonicContact NE2-OD2 3.98Å; H415-D531 PolarHBondContact NE2-OD2 3.28Å; H415-L594 HydrophobicContact CB-CD1 4.48Å; H415-L594 WeakPolarHBondContact ND1-CD1 3.23Å
416	R	90.7	Very high	93.1	Very high	155 Å²	155	22 Å²	22	59%	0.585	10%	0.103	S	C	*	.	H	α-helix	trans	-63.1	-27.3	174.3	176.5	175	169.7	145.1	1.6	113.7	H412 F413 L414 G418	H412-R416 WeakPolarHBondContact O-CB 3.48Å; H412-R416 PolarHBondContact O-N 2.91Å; F413-R416 PolarHBondContact O-N 2.98Å; L414-R416 VanDerWaalsContact C-N 3.29Å; L414-R416 PolarHBondContact O-N 2.88Å; R416-G418 VanDerWaalsContact C-N 3.3Å
417	N	89.2	Confident	93	Very high	76 Å²	76	23.5 Å²	23.5	41%	0.406	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	13.7	174.2	-73.5	-83.8	0	0	0	112.6	L241 F413 L414 H415 V419	L241-N417 HydrophobicContact CD2-CB 3.8Å; F413-N417 WeakPolarHBondContact CE2-ND2 3.28Å; F413-N417 PolarHBondContact O-N 2.91Å; F413-N417 PolarHBondContact O-ND2 3.42Å; L414-N417 CarbonylContact O-C 3.6Å; L414-N417 WeakPolarHBondContact O-CA 3.48Å; L414-N417 PolarHBondContact O-N 2.93Å; H415-N417 VanDerWaalsContact C-N 3.25Å; H415-N417 PolarHBondContact O-N 2.72Å; N417-V419 PolarHBondContact O-N 3Å
418	G	89	Confident	92.9	Very high	15 Å²	15	23.9 Å²	23.9	16%	0.155	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	15	-177.6	0	0	0	0	0	114.1	L414 H415 R416 I494	L414-G418 PolarHBondContact O-N 2.89Å; H415-G418 PolarHBondContact O-N 3.35Å; R416-G418 VanDerWaalsContact C-N 3.3Å; G418-I494 WeakPolarHBondContact O-CB 3.43Å; G418-I494 PolarHBondContact O-N 3.13Å
419	V	91	Very high	92.8	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.024	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.1	-180	174.5	0	0	0	0	110.5	L237 L241 L414 H415 N417 F488 A492	L237-V419 HydrophobicContact CD1-CG1 3.95Å; L237-V419 HydrophobicContact CD1-CG2 4.1Å; L237-V419 HydrophobicContact CD2-CG1 4.32Å; L237-V419 HydrophobicContact CD2-CG2 4.37Å; L237-V419 HydrophobicContact CG-CG2 4.13Å; L241-V419 HydrophobicContact CD2-CG2 4.14Å; L414-V419 CarbonylContact C-O 3.17Å; L414-V419 HydrophobicContact CB-CB 4.22Å; L414-V419 HydrophobicContact CB-CG1 4.35Å; L414-V419 WeakPolarHBondContact CB-O 3.47Å; L414-V419 HydrophobicContact CD2-CB 4.27Å; L414-V419 HydrophobicContact CD2-CG1 4.04Å; L414-V419 PolarHBondContact O-N 2.62Å; H415-V419 PolarHBondContact CD2-O 3.01Å; H415-V419 PolarHBondContact N-O 2.88Å; N417-V419 PolarHBondContact O-N 3Å; V419-F488 HydrophobicContact CG1-CD1 4.42Å; V419-F488 HydrophobicContact CG1-CE1 4.48Å; V419-A492 WeakPolarHBondContact CA-O 3.47Å
420	I	93.8	Very high	92.9	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.2	168.3	-53.3	-56.1	0	0	0	108.4	R422 S491 A492 I494 V503 G527 T528 D531	I420-R422 HydrophobicContact CG2-CG 3.76Å; I420-S491 CarbonylContact O-C 3.29Å; I420-S491 VanDerWaalsContact O-CA 3.27Å; I420-S491 WeakPolarHBondContact O-CA 3.43Å; I420-S491 VanDerWaalsContact O-CB 3.24Å; I420-S491 WeakPolarHBondContact O-CB 3.42Å; I420-A492 PolarHBondContact N-O 3.47Å; I420-A492 PolarHBondContact O-N 2.88Å; I420-I494 HydrophobicContact CD1-CD1 3.76Å; I420-I494 HydrophobicContact CG1-CD1 3.48Å; I420-I494 VanDerWaalsContact CG1-CD1 3.48Å; I420-I494 HydrophobicContact CG1-CG1 4.23Å; I420-V503 HydrophobicContact CB-CG1 4.21Å; I420-V503 HydrophobicContact CG1-CG1 3.85Å; I420-G527 VanDerWaalsContact CG2-O 3.28Å; I420-G527 WeakPolarHBondContact CG2-O 3.1Å; I420-T528 HydrophobicContact CD1-CG2 4.01Å; I420-D531 WeakPolarHBondContact CG2-OD2 3.23Å
421	H	93	Very high	92.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.123	C	C	.	.			trans	-76.9	-40.8	-170.2	-164.6	-40.4	0	0	0	112.7	L414 D423 I424 T486 S491 D531	L414-H421 HydrophobicContact CD1-CB 4.39Å; H421-D423 PolarHBondContact O-N 3.18Å; H421-D423 VanDerWaalsContact O-N 3.15Å; H421-I424 HydrophobicContact CB-CD1 3.69Å; H421-I424 HydrophobicContact CB-CG1 4.15Å; H421-I424 WeakPolarHBondContact CD2-CD1 3.32Å; H421-T486 PolarHBondContact CE1-O 2.86Å; H421-T486 PolarHBondContact NE2-O 2.87Å; H421-S491 WeakPolarHBondContact O-CA 3.4Å; H421-S491 PolarHBondContact O-OG 2.82Å; H421-D531 PolarHBondContact N-OD1 3.09Å; H421-D531 PolarHBondContact N-OD2 2.97Å
422	R	91.5	Very high	92.2	Very high	24 Å²	24	26 Å²	26	9%	0.091	13%	0.129	C	C	.	.	S	Bend	trans	63.1	-0.1	-178.2	-56.7	-164.3	-68.6	-164.3	-11.2	117.6	I420 V490 S491 S504 G505 T508 L530 D531	I420-R422 HydrophobicContact CG2-CG 3.76Å; R422-V490 VanDerWaalsContact CZ-O 3.26Å; R422-V490 PolarHBondContact NE-O 3.06Å; R422-V490 PolarHBondContact NH2-O 2.92Å; R422-S491 PolarHBondContact NH2-O 3.06Å; R422-S504 PolarHBondContact NH1-O 3.15Å; R422-G505 PolarHBondContact NH1-O 3.49Å; R422-G505 VanDerWaalsContact NH1-O 3.15Å; R422-T508 WeakPolarHBondContact O-CA 3.5Å; R422-T508 WeakPolarHBondContact O-CG2 3.47Å; R422-L530 HydrophobicContact CB-CD2 4.18Å; R422-L530 HydrophobicContact CG-CD2 4.16Å; R422-D531 WeakPolarHBondContact CA-OD1 3.21Å; R422-D531 PolarHBondContact N-OD1 3.07Å
423	D	91.2	Very high	91.5	Very high	9 Å²	9	24.7 Å²	24.7	5%	0.048	13%	0.126	C	C	.	.			trans	-143.7	44.8	-177.3	-161.5	39.7	0	0	0	112.8	H421 K425 N428 V490 T509	H421-D423 PolarHBondContact O-N 3.18Å; H421-D423 VanDerWaalsContact O-N 3.15Å; D423-K425 VanDerWaalsContact CG-NZ 3.31Å; D423-K425 PolarHBondContact O-N 3.44Å; D423-K425 IonicContact OD1-NZ 2.92Å; D423-K425 PolarHBondContact OD1-NZ 2.94Å; D423-K425 WeakPolarHBondContact OD2-CE 3.46Å; D423-K425 IonicContact OD2-NZ 3.24Å; D423-K425 PolarHBondContact OD2-NZ 3.46Å; D423-N428 PolarHBondContact O-ND2 3.38Å; D423-N428 PolarHBondContact OD2-ND2 3.12Å; D423-V490 HydrophobicContact CB-CG2 3.7Å; D423-T509 VanDerWaalsContact OD1-CB 3.29Å; D423-T509 WeakPolarHBondContact OD1-CB 3.41Å; D423-T509 PolarHBondContact OD1-N 2.89Å; D423-T509 PolarHBondContact OD1-OG1 3.29Å
424	I	95	Very high	90.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.			trans	-70.9	110.9	176.3	-57	-63.3	0	0	0	110	L407 L411 H421 L485 D531 S534 A535 T538	L407-I424 HydrophobicContact CD1-CD1 4.45Å; L407-I424 HydrophobicContact CD1-CG2 4.08Å; L407-I424 HydrophobicContact CD2-CG2 4.28Å; L411-I424 HydrophobicContact CD1-CD1 4.47Å; L411-I424 HydrophobicContact CD1-CG1 4.46Å; L411-I424 HydrophobicContact CD2-CD1 3.71Å; L411-I424 HydrophobicContact CD2-CG1 4.03Å; L411-I424 HydrophobicContact CG-CD1 4.25Å; H421-I424 HydrophobicContact CB-CD1 3.69Å; H421-I424 HydrophobicContact CB-CG1 4.15Å; H421-I424 WeakPolarHBondContact CD2-CD1 3.32Å; I424-L485 HydrophobicContact CD1-CD2 3.61Å; I424-D531 HydrophobicContact CG1-CB 4.36Å; I424-S534 WeakPolarHBondContact O-CB 3.5Å; I424-A535 HydrophobicContact CG2-CB 4.1Å; I424-T538 PolarHBondContact O-OG1 3.08Å
425	K	94	Very high	89.2	Confident	24 Å²	24	27.8 Å²	27.8	10%	0.104	15%	0.149	C	C	.	.	S	Bend	trans	-154.1	158	178.2	68.9	-158.7	-175.4	-158	0	110.7	F47 D423 A427 N428 T509 V512 T538	F47-K425 HydrophobicContact CD2-CD 4.42Å; F47-K425 HydrophobicContact CE2-CD 4.39Å; D423-K425 VanDerWaalsContact CG-NZ 3.31Å; D423-K425 PolarHBondContact O-N 3.44Å; D423-K425 IonicContact OD1-NZ 2.92Å; D423-K425 PolarHBondContact OD1-NZ 2.94Å; D423-K425 WeakPolarHBondContact OD2-CE 3.46Å; D423-K425 IonicContact OD2-NZ 3.24Å; D423-K425 PolarHBondContact OD2-NZ 3.46Å; K425-A427 HydrophobicContact CG-CB 4.32Å; K425-A427 PolarHBondContact O-N 3.48Å; K425-N428 WeakPolarHBondContact CE-OD1 3.5Å; K425-N428 HydrophobicContact CG-CB 4.28Å; K425-N428 PolarHBondContact O-N 2.89Å; K425-T509 HydrophobicContact CD-CG2 4.31Å; K425-T509 PolarHBondContact NZ-OG1 2.99Å; K425-V512 HydrophobicContact CB-CG1 4.13Å; K425-T538 WeakPolarHBondContact CA-OG1 3.44Å
426	P	92.4	Very high	87.3	Confident	5 Å²	5	30.2 Å²	30.2	3%	0.032	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-54	-28.5	-177.6	-26.5	32.6	0	0	0	115.7	V273 H274 N428 L429 T538 F541	V273-P426 HydrophobicContact CB-CB 4.35Å; V273-P426 HydrophobicContact CG1-CB 4.33Å; V273-P426 PolarHBondContact N-O 2.98Å; H274-P426 HydrophobicContact CB-CB 4.08Å; H274-P426 PolarHBondContact N-O 2.7Å; H274-P426 VanDerWaalsContact N-O 3.14Å; P426-N428 VanDerWaalsContact C-N 3.33Å; P426-L429 PolarHBondContact O-N 2.79Å; P426-T538 HydrophobicContact CG-CG2 4.1Å; P426-F541 HydrophobicContact CB-CD1 4.26Å; P426-F541 HydrophobicContact CB-CE1 4.46Å; P426-F541 HydrophobicContact CG-CB 4.31Å; P426-F541 HydrophobicContact CG-CD1 3.55Å; P426-F541 HydrophobicContact CG-CE1 4.15Å; P426-F541 HydrophobicContact CG-CG 4.12Å
427	A	90.6	Very high	85.4	Confident	30 Å²	30	24.6 Å²	24.6	25%	0.248	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-72	-25	177.3	0	0	0	0	0	113.5	S272 H274 K425 L429	S272-A427 VanDerWaalsContact CB-O 3.31Å; S272-A427 WeakPolarHBondContact CB-O 3.35Å; H274-A427 HydrophobicContact CB-CB 3.97Å; K425-A427 HydrophobicContact CG-CB 4.32Å; K425-A427 PolarHBondContact O-N 3.48Å; A427-L429 VanDerWaalsContact C-N 3.33Å
428	N	94.5	Very high	83	Confident	10 Å²	10	23.8 Å²	23.8	5%	0.053	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-94.4	7.5	177.5	-64.4	2.8	0	0	0	111.9	D423 K425 P426 T486	D423-N428 PolarHBondContact O-ND2 3.38Å; D423-N428 PolarHBondContact OD2-ND2 3.12Å; K425-N428 WeakPolarHBondContact CE-OD1 3.5Å; K425-N428 HydrophobicContact CG-CB 4.28Å; K425-N428 PolarHBondContact O-N 2.89Å; P426-N428 VanDerWaalsContact C-N 3.33Å; N428-T486 HydrophobicContact CB-CG2 4.37Å; N428-T486 PolarHBondContact O-N 3.14Å
429	L	95.4	Very high	81.1	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	93.5	171	-56	-168.4	0	0	0	108.7	S272 V273 L407 P426 A427 V483 L485 T538	S272-L429 CarbonylContact C-O 3.19Å; S272-L429 WeakPolarHBondContact CA-O 3.29Å; V273-L429 HydrophobicContact CB-CB 4.11Å; V273-L429 HydrophobicContact CG2-CB 3.69Å; V273-L429 HydrophobicContact CG2-CD1 4.27Å; V273-L429 PolarHBondContact N-O 3.33Å; L407-L429 HydrophobicContact CD1-CD2 3.82Å; L407-L429 HydrophobicContact CD2-CD1 4.34Å; P426-L429 PolarHBondContact O-N 2.79Å; A427-L429 VanDerWaalsContact C-N 3.33Å; L429-V483 HydrophobicContact CB-CG1 4Å; L429-V483 HydrophobicContact CD1-CG1 4.48Å; L429-V483 HydrophobicContact CD2-CG1 4.33Å; L429-V483 HydrophobicContact CG-CG1 4.49Å; L429-L485 HydrophobicContact CD2-CD2 3.61Å; L429-T538 HydrophobicContact CD1-CG2 3.81Å
430	L	94.2	Very high	78.9	Confident	38 Å²	38	26 Å²	26	20%	0.199	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	149.9	178.2	-55.8	-166.2	0	0	0	111.8	V248 C269 G271 V483 K484 T486	V248-L430 HydrophobicContact CG2-CD1 3.96Å; V248-L430 HydrophobicContact CG2-CG 4.47Å; C269-L430 HydrophobicContact CB-CB 3.7Å; C269-L430 HydrophobicContact CB-CD1 3.83Å; C269-L430 HydrophobicContact CB-CG 4.4Å; G271-L430 WeakPolarHBondContact O-CA 3.44Å; L430-V483 CarbonylContact O-C 3.54Å; L430-V483 WeakPolarHBondContact O-CA 3.07Å; L430-K484 PolarHBondContact N-O 2.71Å; L430-K484 PolarHBondContact O-N 2.84Å; L430-T486 HydrophobicContact CD1-CG2 3.91Å; L430-T486 HydrophobicContact CD2-CG2 4.05Å; L430-T486 HydrophobicContact CG-CG2 3.67Å
431	L	91.5	Very high	76.4	Confident	13 Å²	13	28.3 Å²	28.3	7%	0.068	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.9	179.2	-59.8	177	0	0	0	110.7	L270 G271 V273 L276 Y403 W481 L482 V483	L270-L431 PolarHBondContact N-O 3.33Å; G271-L431 PolarHBondContact O-N 3.38Å; V273-L431 HydrophobicContact CG2-CD1 4.43Å; V273-L431 HydrophobicContact CG2-CD2 3.92Å; V273-L431 HydrophobicContact CG2-CG 4.24Å; L276-L431 HydrophobicContact CB-CD1 4.38Å; L276-L431 HydrophobicContact CD2-CD1 3.93Å; Y403-L431 HydrophobicContact CE1-CD2 4.15Å; Y403-L431 HydrophobicContact CE2-CD1 4.45Å; Y403-L431 HydrophobicContact CE2-CD2 4.07Å; L431-W481 HydrophobicContact CB-CD2 4.44Å; L431-W481 HydrophobicContact CB-CE3 3.92Å; L431-W481 HydrophobicContact CD2-CB 4.21Å; L431-L482 WeakPolarHBondContact CA-O 3.15Å; L431-V483 HydrophobicContact CD2-CG2 3.91Å
432	T	84.9	Confident	73.9	Confident	20 Å²	20	37 Å²	37	12%	0.123	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149.5	172.7	-164.5	0	0	0	0	110.5	L482 K484	T432-L482 HydrophobicContact CG2-CB 3.94Å; T432-L482 PolarHBondContact N-O 3.02Å; T432-L482 PolarHBondContact O-N 2.91Å; T432-K484 HydrophobicContact CG2-CD 3.81Å
433	P	79.6	Confident	71.3	Confident	34 Å²	34	38.3 Å²	38.3	22%	0.221	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	140.2	172	-28.4	38.7	0	0	0	112.4	L439 W481	P433-L439 HydrophobicContact CB-CB 3.91Å; P433-L439 HydrophobicContact CG-CB 4.24Å; P433-L439 WeakPolarHBondContact CG-O 3.49Å; P433-W481 HydrophobicContact CG-CH2 4.32Å; P433-W481 HydrophobicContact CG-CZ3 3.94Å
434	A	73.5	Confident	68.6	Low	1 Å²	1	42.2 Å²	42.2	1%	0.008	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-73.1	140.7	167.8	0	0	0	0	0	110.8	G436 C437 L475 G480 L482	A434-G436 PolarHBondContact O-N 3.2Å; A434-C437 HydrophobicContact CB-CB 4.11Å; A434-C437 PolarHBondContact O-N 3.35Å; A434-C437 PolarHBondContact O-SG 3.48Å; A434-L475 HydrophobicContact CB-CD1 3.61Å; A434-L475 HydrophobicContact CB-CD2 3.49Å; A434-L475 VanDerWaalsContact CB-CD2 3.49Å; A434-L475 HydrophobicContact CB-CG 4.17Å; A434-G480 WeakPolarHBondContact CB-O 3.37Å; A434-G480 PolarHBondContact N-O 3.42Å; A434-L482 HydrophobicContact CB-CD1 4.22Å; A434-L482 HydrophobicContact CB-CG 3.95Å
435	P	65.3	Low	65.7	Low	99 Å²	99	48.3 Å²	48.3	64%	0.643	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	130.3	170.1	-25.4	34.7	0	0	0	111	C437	P435-C437 VanDerWaalsContact C-N 3.33Å; P435-C437 PolarHBondContact O-N 3Å
436	G	52.6	Low	62.9	Low	76 Å²	76	53.5 Å²	53.5	78%	0.784	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-2.4	177.1	0	0	0	0	0	116.2	A434 G438	A434-G436 PolarHBondContact O-N 3.2Å; G436-G438 PolarHBondContact O-N 2.81Å
437	C	50.5	Low	60	Low	38 Å²	38	56.3 Å²	56.3	26%	0.257	40%	0.395	S	S	.	.	S	Bend	trans	-82.2	14.8	179.3	81.8	0	0	0	0	114.5	A434 P435 L439 G480	A434-C437 HydrophobicContact CB-CB 4.11Å; A434-C437 PolarHBondContact O-N 3.35Å; A434-C437 PolarHBondContact O-SG 3.48Å; P435-C437 VanDerWaalsContact C-N 3.33Å; P435-C437 PolarHBondContact O-N 3Å; C437-L439 PolarHBondContact O-N 2.99Å; C437-L439 VanDerWaalsContact O-N 3.15Å; C437-G480 PolarHBondContact SG-O 3.45Å; C437-G480 VanDerWaalsContact SG-O 3.4Å
438	G	40.2	Very low	57.1	Low	58 Å²	58	60 Å²	60	60%	0.598	41%	0.414	S	S	*	.	S	Bend	trans	70.4	-1.3	-176.5	0	0	0	0	0	115.9	G436	G436-G438 PolarHBondContact O-N 2.81Å
439	L	48.1	Very low	54.3	Low	25 Å²	25	66.7 Å²	66.7	13%	0.131	45%	0.447	C	S	.	.			trans	-101.2	-7.2	179.1	-56.7	-177.5	0	0	0	113.8	P433 C437 G441 W481 L661	P433-L439 HydrophobicContact CB-CB 3.91Å; P433-L439 HydrophobicContact CG-CB 4.24Å; P433-L439 WeakPolarHBondContact CG-O 3.49Å; C437-L439 PolarHBondContact O-N 2.99Å; C437-L439 VanDerWaalsContact O-N 3.15Å; L439-G441 PolarHBondContact O-N 3.19Å; L439-W481 HydrophobicContact CD1-CZ2 4.02Å; L439-L661 HydrophobicContact CD1-CD1 4.16Å; L439-L661 HydrophobicContact CD1-CD2 4.15Å; L439-L661 HydrophobicContact CD2-CD1 3.7Å; L439-L661 HydrophobicContact CD2-CD2 3.43Å; L439-L661 VanDerWaalsContact CD2-CD2 3.43Å; L439-L661 HydrophobicContact CD2-CG 4.18Å; L439-L661 HydrophobicContact CG-CD1 4.19Å; L439-L661 HydrophobicContact CG-CD2 4.38Å
440	S	44.9	Very low	51.2	Low	42 Å²	42	73 Å²	73	29%	0.294	48%	0.481	S	S	.	.			trans	-85.4	84.7	169.1	57.1	0	0	0	0	109.1	F442 G443	S440-F442 PolarHBondContact O-N 2.9Å; S440-G443 PolarHBondContact O-N 3.38Å; S440-G443 VanDerWaalsContact O-N 3.1Å
441	G	42.2	Very low	48.3	Very low	48 Å²	48	77.4 Å²	77.4	50%	0.495	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	34.3	-179.2	0	0	0	0	0	116.2	L439	L439-G441 PolarHBondContact O-N 3.19Å
442	F	40.7	Very low	45.2	Very low	183 Å²	183	82.2 Å²	82.2	80%	0.803	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147	21.2	174.6	-84.2	-80	0	0	0	111	S440	S440-F442 PolarHBondContact O-N 2.9Å
443	G	35.5	Very low	42.9	Very low	51 Å²	51	84.1 Å²	84.1	53%	0.526	55%	0.546	S	S	.	.	S	Bend	trans	-111.1	131.8	177.4	0	0	0	0	0	111.7	S440	S440-G443 PolarHBondContact O-N 3.38Å; S440-G443 VanDerWaalsContact O-N 3.1Å
444	S	34.1	Very low	40.8	Very low	92 Å²	92	91 Å²	91	64%	0.643	57%	0.574	S	S	*	*			trans	-61.1	135.8	-178.5	179.7	0	0	0	0	112.2	N446 G447	S444-N446 PolarHBondContact O-N 3.08Å; S444-N446 VanDerWaalsContact O-N 3.12Å; S444-G447 PolarHBondContact O-N 3.03Å
445	P	35.4	Very low	39	Very low	127 Å²	127	96.2 Å²	96.2	83%	0.825	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-15.3	-175.9	26.8	-35.8	0	0	0	114.3
446	N	34.2	Very low	37.8	Very low	133 Å²	133	99.1 Å²	99.1	71%	0.711	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	12.9	179.2	-66.6	-12.6	0	0	0	113.5	S444 T448	S444-N446 PolarHBondContact O-N 3.08Å; S444-N446 VanDerWaalsContact O-N 3.12Å; N446-T448 PolarHBondContact O-N 2.85Å
447	G	31.7	Very low	37.1	Very low	65 Å²	65	97.5 Å²	97.5	67%	0.67	57%	0.574	S	S	*	*			trans	-72.5	90.7	172.8	0	0	0	0	0	111.9	S444	S444-G447 PolarHBondContact O-N 3.03Å
448	T	31.2	Very low	36.1	Very low	106 Å²	106	98.8 Å²	98.8	65%	0.65	58%	0.582	S	S	*	*			trans	-58	160.6	165.9	48.8	0	0	0	0	110.9	N446 D450	N446-T448 PolarHBondContact O-N 2.85Å; T448-D450 WeakPolarHBondContact CB-OD2 3.36Å; T448-D450 PolarHBondContact O-N 3.39Å; T448-D450 PolarHBondContact OG1-OD2 3.47Å
449	M	34.1	Very low	35.7	Very low	152 Å²	152	100.3 Å²	100.3	75%	0.749	58%	0.584	S	S	*	*	S	Bend	trans	-74.7	24	-172.8	-151.7	177.1	-173.9	0	0	113.9	L451	M449-L451 PolarHBondContact O-N 3.43Å
450	D	30	Very low	35.1	Very low	131 Å²	131	101.7 Å²	101.7	70%	0.701	59%	0.593	S	S	*	*			trans	-84	48	-171.5	-58.9	-51	0	0	0	112.7	T448	T448-D450 WeakPolarHBondContact CB-OD2 3.36Å; T448-D450 PolarHBondContact O-N 3.39Å; T448-D450 PolarHBondContact OG1-OD2 3.47Å
451	L	34.1	Very low	34.5	Very low	131 Å²	131	104.2 Å²	104.2	69%	0.686	63%	0.626	S	S	*	*			trans	-76.2	120	157.5	-79.6	166.3	0	0	0	107.4	M449 D453	M449-L451 PolarHBondContact O-N 3.43Å; L451-D453 PolarHBondContact O-N 3.01Å
452	P	26.2	Very low	34.2	Very low	114 Å²	114	105 Å²	105	74%	0.74	62%	0.623	S	S	*	*			trans	-75.3	33.6	-171.7	32.4	-37.5	0	0	0	113.8
453	D	36.6	Very low	34	Very low	61 Å²	61	105.1 Å²	105.1	33%	0.326	63%	0.627	S	S	.	*			trans	-120.4	35	-156.2	-75.3	-29.3	0	0	0	113.7	L451 N455 W456	L451-D453 PolarHBondContact O-N 3.01Å; D453-N455 PolarHBondContact O-N 2.99Å; D453-N455 VanDerWaalsContact O-N 3.09Å; D453-W456 HydrophobicContact CB-CB 4.12Å; D453-W456 VanDerWaalsContact CB-CD1 3.49Å; D453-W456 HydrophobicContact CB-CG 3.97Å; D453-W456 VanDerWaalsContact CG-NE1 3.26Å; D453-W456 PolarHBondContact O-N 2.71Å; D453-W456 PolarHBondContact OD1-NE1 3.18Å; D453-W456 PolarHBondContact OD2-NE1 2.91Å
454	H	35.1	Very low	34.3	Very low	177 Å²	177	103.2 Å²	103.2	82%	0.819	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-52.3	-23.2	155.7	-93.1	-74.2	0	0	0	111.9
455	N	35.5	Very low	34.8	Very low	112 Å²	112	100.7 Å²	100.7	60%	0.599	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-68.7	-33.2	169.4	-82.2	-24.7	0	0	0	114.3	D453 L457 C458 S459	D453-N455 PolarHBondContact O-N 2.99Å; D453-N455 VanDerWaalsContact O-N 3.09Å; N455-L457 PolarHBondContact O-N 3.26Å; N455-L457 VanDerWaalsContact O-N 3.15Å; N455-C458 CarbonylContact O-C 3.55Å; N455-C458 VanDerWaalsContact O-C 3.32Å; N455-C458 VanDerWaalsContact O-CA 3.29Å; N455-C458 WeakPolarHBondContact O-CA 3.4Å; N455-C458 WeakPolarHBondContact O-CB 3.43Å; N455-C458 PolarHBondContact O-N 2.84Å; N455-S459 PolarHBondContact O-N 2.95Å; N455-S459 PolarHBondContact O-OG 3.22Å
456	W	41.6	Very low	35.5	Very low	160 Å²	160	95.4 Å²	95.4	61%	0.606	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-74.2	-7.8	-170.6	-80	61.8	0	0	0	115.6	D453 C458	D453-W456 HydrophobicContact CB-CB 4.12Å; D453-W456 VanDerWaalsContact CB-CD1 3.49Å; D453-W456 HydrophobicContact CB-CG 3.97Å; D453-W456 VanDerWaalsContact CG-NE1 3.26Å; D453-W456 PolarHBondContact O-N 2.71Å; D453-W456 PolarHBondContact OD1-NE1 3.18Å; D453-W456 PolarHBondContact OD2-NE1 2.91Å; W456-C458 VanDerWaalsContact C-N 3.34Å
457	L	36.3	Very low	36	Very low	42 Å²	42	93.4 Å²	93.4	22%	0.22	55%	0.549	C	S	.	.	G	3₁₀ helix	trans	-88.2	-8.3	165	-71	163.8	0	0	0	112.2	N455 S464 F466	N455-L457 PolarHBondContact O-N 3.26Å; N455-L457 VanDerWaalsContact O-N 3.15Å; L457-S464 WeakPolarHBondContact O-CB 3.45Å; L457-S464 PolarHBondContact O-OG 3.2Å; L457-F466 HydrophobicContact CD2-CB 4.19Å; L457-F466 HydrophobicContact CD2-CD1 4.05Å; L457-F466 HydrophobicContact CD2-CD2 4.23Å; L457-F466 HydrophobicContact CD2-CG 3.88Å
458	C	30.8	Very low	37.1	Very low	65 Å²	65	98.2 Å²	98.2	44%	0.439	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-125.9	-12.4	-169.7	-59.1	0	0	0	0	114.1	N455 W456 T460	N455-C458 CarbonylContact O-C 3.55Å; N455-C458 VanDerWaalsContact O-C 3.32Å; N455-C458 VanDerWaalsContact O-CA 3.29Å; N455-C458 WeakPolarHBondContact O-CA 3.4Å; N455-C458 WeakPolarHBondContact O-CB 3.43Å; N455-C458 PolarHBondContact O-N 2.84Å; W456-C458 VanDerWaalsContact C-N 3.34Å; C458-T460 CarbonylContact O-C 3.6Å; C458-T460 VanDerWaalsContact O-C 3.29Å; C458-T460 PolarHBondContact O-N 3.25Å
459	S	31	Very low	38.6	Very low	89 Å²	89	94.7 Å²	94.7	62%	0.622	53%	0.529	S	S	*	.	S	Bend	trans	-60.5	-12.5	-174.7	-61.7	0	0	0	0	114.8	N455	N455-S459 PolarHBondContact O-N 2.95Å; N455-S459 PolarHBondContact O-OG 3.22Å
460	T	34.9	Very low	40.2	Very low	55 Å²	55	90 Å²	90	34%	0.337	51%	0.511	S	S	.	.	S	Bend	trans	-93.1	111.4	160.4	53.8	0	0	0	0	109.2	C458 S462	C458-T460 CarbonylContact O-C 3.6Å; C458-T460 VanDerWaalsContact O-C 3.29Å; C458-T460 PolarHBondContact O-N 3.25Å; T460-S462 CarbonylContact O-C 3.48Å; T460-S462 PolarHBondContact O-N 3.04Å; T460-S462 VanDerWaalsContact O-O 3.04Å
461	G	32.6	Very low	41.9	Very low	95 Å²	95	86.3 Å²	86.3	98%	0.979	49%	0.492	S	S	*	.	S	Bend	trans	-64.6	24.7	177.1	0	0	0	0	0	116.9
462	S	36.5	Very low	43.5	Very low	63 Å²	63	82.5 Å²	82.5	44%	0.441	48%	0.479	S	S	.	.	S	Bend	trans	-111.3	119.5	162.1	173.9	0	0	0	0	106.1	T460 S464	T460-S462 CarbonylContact O-C 3.48Å; T460-S462 PolarHBondContact O-N 3.04Å; T460-S462 VanDerWaalsContact O-O 3.04Å; S462-S464 PolarHBondContact O-N 3.15Å
463	Q	35.8	Very low	45.6	Very low	186 Å²	186	81.3 Å²	81.3	87%	0.869	47%	0.466	S	S	*	.			trans	-44	108.6	-174	-66.5	174.7	-5.9	0	0	111.4
464	S	42.9	Very low	47.5	Very low	12 Å²	12	78.7 Å²	78.7	8%	0.084	45%	0.452	C	S	.	.			trans	-71.8	137.4	169.6	78.6	0	0	0	0	107.2	L457 S462 F466 C467	L457-S464 WeakPolarHBondContact O-CB 3.45Å; L457-S464 PolarHBondContact O-OG 3.2Å; S462-S464 PolarHBondContact O-N 3.15Å; S464-F466 PolarHBondContact O-N 3Å; S464-C467 PolarHBondContact O-N 3.14Å; S464-C467 VanDerWaalsContact O-N 3.14Å; S464-C467 PolarHBondContact O-SG 3.36Å
465	A	43.9	Very low	49.5	Very low	39 Å²	39	71.2 Å²	71.2	32%	0.322	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	5.5	179.3	0	0	0	0	0	112.9	R598 Y603	A465-R598 HydrophobicContact CB-CB 4.27Å; A465-R598 VanDerWaalsContact CB-NE 3.34Å; A465-Y603 HydrophobicContact CB-CD1 4.5Å; A465-Y603 HydrophobicContact CB-CE1 3.75Å
466	F	51.1	Low	51.2	Low	16 Å²	16	69.5 Å²	69.5	7%	0.07	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-13.8	166	-97.3	-83.1	0	0	0	113.9	D409 L457 S464 Q468 R469 L474	D409-F466 WeakPolarHBondContact OD2-CE2 3.48Å; L457-F466 HydrophobicContact CD2-CB 4.19Å; L457-F466 HydrophobicContact CD2-CD1 4.05Å; L457-F466 HydrophobicContact CD2-CD2 4.23Å; L457-F466 HydrophobicContact CD2-CG 3.88Å; S464-F466 PolarHBondContact O-N 3Å; F466-Q468 PolarHBondContact O-N 3.44Å; F466-R469 HydrophobicContact CD1-CB 4.35Å; F466-R469 PolarHBondContact O-N 3.26Å; F466-L474 HydrophobicContact CE1-CB 4.18Å; F466-L474 HydrophobicContact CE1-CD1 4.25Å; F466-L474 HydrophobicContact CE1-CD2 4.04Å; F466-L474 HydrophobicContact CE1-CG 4.36Å; F466-L474 HydrophobicContact CZ-CB 4.46Å; F466-L474 HydrophobicContact CZ-CD1 3.8Å; F466-L474 HydrophobicContact CZ-CD2 3.62Å; F466-L474 HydrophobicContact CZ-CG 4.14Å
467	C	44.9	Very low	53	Low	90 Å²	90	62.8 Å²	62.8	61%	0.608	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	5.7	-179.2	-65.9	0	0	0	0	116.2	S464	S464-C467 PolarHBondContact O-N 3.14Å; S464-C467 VanDerWaalsContact O-N 3.14Å; S464-C467 PolarHBondContact O-SG 3.36Å
468	Q	53	Low	55.2	Low	166 Å²	166	60.8 Å²	60.8	78%	0.776	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.8	3.5	171.6	-65.5	-176.1	-11.6	0	0	113.9	F466	F466-Q468 PolarHBondContact O-N 3.44Å
469	R	64	Low	57.5	Low	33 Å²	33	59.8 Å²	59.8	13%	0.125	37%	0.372	C	S	.	.	S	Bend	trans	-135	129	-169.5	-70.8	160.3	170.6	-94.5	1.3	111.4	H401 F466 I604 Q605 D606	H401-R469 PolarHBondContact NE2-NH1 2.93Å; H401-R469 PolarHBondContact NE2-NH2 3.06Å; F466-R469 HydrophobicContact CD1-CB 4.35Å; F466-R469 PolarHBondContact O-N 3.26Å; R469-I604 PolarHBondContact NH2-O 3.25Å; R469-Q605 PolarHBondContact NH2-O 3.14Å; R469-D606 IonicContact CZ-OD1 2.69Å; R469-D606 IonicContact CZ-OD2 3.7Å; R469-D606 IonicContact NH1-OD1 3.58Å; R469-D606 PolarHBondContact NH1-OD1 2.91Å; R469-D606 IonicContact NH1-OD2 3.7Å; R469-D606 PolarHBondContact NH1-OD2 3.42Å; R469-D606 IonicContact NH2-OD1 3.39Å; R469-D606 PolarHBondContact NH2-OD1 3.09Å; R469-D606 IonicContact NH2-OD2 2.74Å
470	S	66.5	Low	59.7	Low	53 Å²	53	56 Å²	56	37%	0.371	35%	0.346	S	S	.	.			trans	-70	149	171.3	74.2	0	0	0	0	110.8	A472 N473 L474	S470-A472 PolarHBondContact O-N 2.95Å; S470-N473 PolarHBondContact O-N 3.15Å; S470-N473 WeakPolarHBondContact OG-CB 3.5Å; S470-N473 PolarHBondContact OG-N 2.86Å; S470-N473 PolarHBondContact OG-OD1 2.83Å; S470-L474 PolarHBondContact O-N 2.91Å
471	L	66.9	Low	62.1	Low	54 Å²	54	54.9 Å²	54.9	28%	0.283	34%	0.336	S	S	.	.	H	α-helix	trans	-59.9	-36	171.2	-179.8	59.8	0	0	0	111.1	N473 L474 L475	L471-N473 PolarHBondContact O-N 3.04Å; L471-L474 HydrophobicContact CD1-CD2 4.24Å; L471-L474 PolarHBondContact O-N 3.29Å; L471-L475 HydrophobicContact CD1-CD1 4.19Å; L471-L475 HydrophobicContact CD1-CG 4.12Å; L471-L475 HydrophobicContact CG-CD1 3.93Å; L471-L475 HydrophobicContact CG-CG 4.3Å; L471-L475 WeakPolarHBondContact O-CB 3.49Å; L471-L475 VanDerWaalsContact O-CG 3.3Å; L471-L475 WeakPolarHBondContact O-CG 3.48Å; L471-L475 PolarHBondContact O-N 3.42Å
472	A	67.1	Low	64.8	Low	51 Å²	51	50.9 Å²	50.9	42%	0.421	29%	0.292	S	S	.	.	H	α-helix	trans	-59.2	-42.6	175.7	0	0	0	0	0	112.6	S470 L475 A476	S470-A472 PolarHBondContact O-N 2.95Å; A472-L475 PolarHBondContact O-N 3.4Å; A472-A476 WeakPolarHBondContact O-CB 3.45Å; A472-A476 PolarHBondContact O-N 3.26Å
473	N	70	Confident	67.5	Low	89 Å²	89	47.9 Å²	47.9	48%	0.476	27%	0.272	S	S	.	.	H	α-helix	trans	-65.8	-43.9	178.2	-70.5	15.4	0	0	0	111.4	S470 L471 L475 A476 L477	S470-N473 PolarHBondContact O-N 3.15Å; S470-N473 WeakPolarHBondContact OG-CB 3.5Å; S470-N473 PolarHBondContact OG-N 2.86Å; S470-N473 PolarHBondContact OG-OD1 2.83Å; L471-N473 PolarHBondContact O-N 3.04Å; N473-L475 VanDerWaalsContact C-N 3.33Å; N473-L475 PolarHBondContact O-N 2.77Å; N473-A476 PolarHBondContact O-N 3.04Å; N473-L477 WeakPolarHBondContact O-CD1 3.36Å; N473-L477 VanDerWaalsContact O-CG 3.25Å; N473-L477 WeakPolarHBondContact O-CG 3.46Å; N473-L477 PolarHBondContact O-N 3.3Å
474	L	76.7	Confident	70.3	Confident	5 Å²	5	39.6 Å²	39.6	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-57.9	-47.3	174.4	-176.7	88.5	0	0	0	111.1	A402 L405 Q406 F466 S470 L471 L477 S478	A402-L474 HydrophobicContact CB-CD1 4.35Å; L405-L474 HydrophobicContact CB-CD1 4.17Å; L405-L474 HydrophobicContact CD1-CD1 3.81Å; Q406-L474 HydrophobicContact CG-CD2 3.93Å; F466-L474 HydrophobicContact CE1-CB 4.18Å; F466-L474 HydrophobicContact CE1-CD1 4.25Å; F466-L474 HydrophobicContact CE1-CD2 4.04Å; F466-L474 HydrophobicContact CE1-CG 4.36Å; F466-L474 HydrophobicContact CZ-CB 4.46Å; F466-L474 HydrophobicContact CZ-CD1 3.8Å; F466-L474 HydrophobicContact CZ-CD2 3.62Å; F466-L474 HydrophobicContact CZ-CG 4.14Å; S470-L474 PolarHBondContact O-N 2.91Å; L471-L474 HydrophobicContact CD1-CD2 4.24Å; L471-L474 PolarHBondContact O-N 3.29Å; L474-L477 PolarHBondContact O-N 3.44Å; L474-S478 WeakPolarHBondContact O-CB 3.29Å; L474-S478 PolarHBondContact O-N 2.86Å; L474-S478 PolarHBondContact O-OG 3.1Å
475	L	77.9	Confident	72.8	Confident	21 Å²	21	39.1 Å²	39.1	11%	0.11	23%	0.229	C	C	.	.	H	α-helix	trans	-68.4	-34.6	-178.2	-69.1	179.2	0	0	0	112.5	A434 L471 A472 N473 S478 R479 G480 L482	A434-L475 HydrophobicContact CB-CD1 3.61Å; A434-L475 HydrophobicContact CB-CD2 3.49Å; A434-L475 VanDerWaalsContact CB-CD2 3.49Å; A434-L475 HydrophobicContact CB-CG 4.17Å; L471-L475 HydrophobicContact CD1-CD1 4.19Å; L471-L475 HydrophobicContact CD1-CG 4.12Å; L471-L475 HydrophobicContact CG-CD1 3.93Å; L471-L475 HydrophobicContact CG-CG 4.3Å; L471-L475 WeakPolarHBondContact O-CB 3.49Å; L471-L475 VanDerWaalsContact O-CG 3.3Å; L471-L475 WeakPolarHBondContact O-CG 3.48Å; L471-L475 PolarHBondContact O-N 3.42Å; A472-L475 PolarHBondContact O-N 3.4Å; N473-L475 VanDerWaalsContact C-N 3.33Å; N473-L475 PolarHBondContact O-N 2.77Å; L475-S478 WeakPolarHBondContact CA-OG 3.47Å; L475-S478 CarbonylContact O-C 3.56Å; L475-S478 PolarHBondContact O-N 2.95Å; L475-S478 PolarHBondContact O-OG 2.8Å; L475-R479 PolarHBondContact O-N 2.7Å; L475-G480 PolarHBondContact O-N 3.31Å; L475-L482 HydrophobicContact CD2-CD2 3.88Å; L475-L482 HydrophobicContact CD2-CG 4.42Å
476	A	71	Confident	75.2	Confident	75 Å²	75	38.2 Å²	38.2	62%	0.62	22%	0.219	S	C	*	.	H	α-helix	trans	-62.3	-46.7	171.6	0	0	0	0	0	111.3	A472 N473 S478 R479	A472-A476 WeakPolarHBondContact O-CB 3.45Å; A472-A476 PolarHBondContact O-N 3.26Å; N473-A476 PolarHBondContact O-N 3.04Å; A476-S478 PolarHBondContact O-N 2.89Å; A476-R479 PolarHBondContact O-N 3.2Å
477	L	79.2	Confident	76.8	Confident	19 Å²	19	39.6 Å²	39.6	10%	0.099	23%	0.228	C	C	.	.	H	α-helix	trans	-66.3	-35	177.2	-64.7	163.2	0	0	0	112.4	A398 Q399 A402 N473 L474 R479 D606 T609	A398-L477 HydrophobicContact CB-CD2 3.9Å; Q399-L477 WeakPolarHBondContact CA-O 3.05Å; A402-L477 HydrophobicContact CB-CB 3.63Å; N473-L477 WeakPolarHBondContact O-CD1 3.36Å; N473-L477 VanDerWaalsContact O-CG 3.25Å; N473-L477 WeakPolarHBondContact O-CG 3.46Å; N473-L477 PolarHBondContact O-N 3.3Å; L474-L477 PolarHBondContact O-N 3.44Å; L477-R479 VanDerWaalsContact C-N 3.28Å; L477-R479 PolarHBondContact O-N 3.08Å; L477-D606 WeakPolarHBondContact CD1-OD1 3.19Å; L477-T609 HydrophobicContact CD2-CG2 3.92Å
478	S	83.1	Confident	78.7	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-0	176	83.8	0	0	0	0	114.1	L474 L475 A476 W481	L474-S478 WeakPolarHBondContact O-CB 3.29Å; L474-S478 PolarHBondContact O-N 2.86Å; L474-S478 PolarHBondContact O-OG 3.1Å; L475-S478 WeakPolarHBondContact CA-OG 3.47Å; L475-S478 CarbonylContact O-C 3.56Å; L475-S478 PolarHBondContact O-N 2.95Å; L475-S478 PolarHBondContact O-OG 2.8Å; A476-S478 PolarHBondContact O-N 2.89Å; S478-W481 VanDerWaalsContact CB-O 3.29Å; S478-W481 WeakPolarHBondContact CB-O 3.39Å; S478-W481 PolarHBondContact O-N 3.5Å; S478-W481 PolarHBondContact OG-N 3.15Å; S478-W481 PolarHBondContact OG-O 3.22Å
479	R	79.1	Confident	79.6	Confident	44 Å²	44	27.5 Å²	27.5	17%	0.166	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	39.9	-177.3	-67	170.7	153.5	159.8	-18.4	114	L475 A476 L477 W481 L658 P660	L475-R479 PolarHBondContact O-N 2.7Å; A476-R479 PolarHBondContact O-N 3.2Å; L477-R479 VanDerWaalsContact C-N 3.28Å; L477-R479 PolarHBondContact O-N 3.08Å; R479-W481 VanDerWaalsContact C-N 3.31Å; R479-W481 PolarHBondContact O-N 2.82Å; R479-W481 PolarHBondContact O-NE1 3.24Å; R479-W481 VanDerWaalsContact O-NE1 3.13Å; R479-L658 PolarHBondContact NH2-O 3.04Å; R479-P660 VanDerWaalsContact NE-CD 3.3Å
480	G	76.6	Confident	80.2	Confident	9 Å²	9	27.3 Å²	27.3	9%	0.093	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	-2.1	-179.7	0	0	0	0	0	114.8	A434 C437 L475	A434-G480 WeakPolarHBondContact CB-O 3.37Å; A434-G480 PolarHBondContact N-O 3.42Å; C437-G480 PolarHBondContact SG-O 3.45Å; C437-G480 VanDerWaalsContact SG-O 3.4Å; L475-G480 PolarHBondContact O-N 3.31Å
481	W	85.9	Confident	80.3	Confident	32 Å²	32	25 Å²	25	12%	0.121	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	132.7	-174	-59	93.9	0	0	0	112.9	L270 Y403 Q406 L431 P433 L439 S478 R479 L738	L270-W481 HydrophobicContact CB-CZ3 4.35Å; L270-W481 HydrophobicContact CD2-CH2 3.54Å; L270-W481 HydrophobicContact CD2-CZ3 3.9Å; Y403-W481 HydrophobicContact CE1-CB 4.12Å; Q406-W481 PolarHBondContact NE2-O 2.96Å; L431-W481 HydrophobicContact CB-CD2 4.44Å; L431-W481 HydrophobicContact CB-CE3 3.92Å; L431-W481 HydrophobicContact CD2-CB 4.21Å; P433-W481 HydrophobicContact CG-CH2 4.32Å; P433-W481 HydrophobicContact CG-CZ3 3.94Å; L439-W481 HydrophobicContact CD1-CZ2 4.02Å; S478-W481 VanDerWaalsContact CB-O 3.29Å; S478-W481 WeakPolarHBondContact CB-O 3.39Å; S478-W481 PolarHBondContact O-N 3.5Å; S478-W481 PolarHBondContact OG-N 3.15Å; S478-W481 PolarHBondContact OG-O 3.22Å; R479-W481 VanDerWaalsContact C-N 3.31Å; R479-W481 PolarHBondContact O-N 2.82Å; R479-W481 PolarHBondContact O-NE1 3.24Å; R479-W481 VanDerWaalsContact O-NE1 3.13Å; W481-L738 HydrophobicContact CH2-CD2 3.64Å; W481-L738 HydrophobicContact CZ2-CD2 3.53Å
482	L	89.4	Confident	80.6	Confident	11 Å²	11	23.2 Å²	23.2	6%	0.058	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	134.2	163.1	-68.1	174.6	0	0	0	110.1	R245 Q406 L431 T432 A434 L475	R245-L482 HydrophobicContact CG-CD1 4.02Å; R245-L482 HydrophobicContact CG-CD2 4.19Å; Q406-L482 VanDerWaalsContact OE1-CA 3.27Å; L431-L482 WeakPolarHBondContact CA-O 3.15Å; T432-L482 HydrophobicContact CG2-CB 3.94Å; T432-L482 PolarHBondContact N-O 3.02Å; T432-L482 PolarHBondContact O-N 2.91Å; A434-L482 HydrophobicContact CB-CD1 4.22Å; A434-L482 HydrophobicContact CB-CG 3.95Å; L475-L482 HydrophobicContact CD2-CD2 3.88Å; L475-L482 HydrophobicContact CD2-CG 4.42Å
483	V	93.4	Very high	80.7	Confident	1 Å²	1	22.9 Å²	22.9	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	134.5	173.2	179	0	0	0	0	109.9	H246 Y403 Q406 L429 L430 L431	H246-V483 WeakPolarHBondContact CA-O 3.35Å; H246-V483 PolarHBondContact ND1-O 3.45Å; Y403-V483 HydrophobicContact CD1-CG2 3.55Å; Y403-V483 HydrophobicContact CD2-CG2 4.4Å; Y403-V483 HydrophobicContact CE1-CG2 4.18Å; Y403-V483 HydrophobicContact CG-CG2 3.67Å; Q406-V483 HydrophobicContact CB-CB 4.02Å; Q406-V483 HydrophobicContact CB-CG2 4.45Å; L429-V483 HydrophobicContact CB-CG1 4Å; L429-V483 HydrophobicContact CD1-CG1 4.48Å; L429-V483 HydrophobicContact CD2-CG1 4.33Å; L429-V483 HydrophobicContact CG-CG1 4.49Å; L430-V483 CarbonylContact O-C 3.54Å; L430-V483 WeakPolarHBondContact O-CA 3.07Å; L431-V483 HydrophobicContact CD2-CG2 3.91Å
484	K	94.6	Very high	80.5	Confident	12 Å²	12	20 Å²	20	5%	0.052	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	131.8	179	-77.7	171.4	169.5	-87.2	0	112.9	R245 V247 V248 E267 L430 T432	R245-K484 WeakPolarHBondContact O-CE 3.34Å; R245-K484 VanDerWaalsContact O-CG 3.3Å; R245-K484 WeakPolarHBondContact O-CG 3.36Å; R245-K484 PolarHBondContact O-NZ 3.21Å; V247-K484 PolarHBondContact O-NZ 2.89Å; V248-K484 HydrophobicContact CG2-CB 3.95Å; E267-K484 IonicContact OE1-NZ 3.72Å; E267-K484 PolarHBondContact OE1-NZ 3.19Å; E267-K484 WeakPolarHBondContact OE2-CD 3.32Å; E267-K484 WeakPolarHBondContact OE2-CE 3.29Å; E267-K484 IonicContact OE2-NZ 2.69Å; E267-K484 PolarHBondContact OE2-NZ 2.83Å; L430-K484 PolarHBondContact N-O 2.71Å; L430-K484 PolarHBondContact O-N 2.84Å; T432-K484 HydrophobicContact CG2-CD 3.81Å
485	L	95.6	Very high	79.6	Confident	1 Å²	1	23 Å²	23	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	142.2	175.1	-71.5	166	0	0	0	112.4	H246 V248 L407 L411 L414 I424 L429	H246-L485 PolarHBondContact O-N 2.84Å; V248-L485 WeakPolarHBondContact CG2-O 3.37Å; V248-L485 PolarHBondContact N-O 3.09Å; L407-L485 HydrophobicContact CD1-CD1 4.38Å; L407-L485 HydrophobicContact CD1-CD2 3.78Å; L407-L485 HydrophobicContact CD1-CG 4.42Å; L411-L485 HydrophobicContact CG-CD1 4.38Å; L414-L485 HydrophobicContact CD1-CD1 3.72Å; I424-L485 HydrophobicContact CD1-CD2 3.61Å; L429-L485 HydrophobicContact CD2-CD2 3.61Å
486	T	92.5	Very high	78.3	Confident	20 Å²	20	26.9 Å²	26.9	12%	0.123	18%	0.178	C	C	.	.			trans	-149.5	172.8	-175.7	-159.8	0	0	0	0	113.3	H421 N428 L430	H421-T486 PolarHBondContact CE1-O 2.86Å; H421-T486 PolarHBondContact NE2-O 2.87Å; N428-T486 HydrophobicContact CB-CG2 4.37Å; N428-T486 PolarHBondContact O-N 3.14Å; L430-T486 HydrophobicContact CD1-CG2 3.91Å; L430-T486 HydrophobicContact CD2-CG2 4.05Å; L430-T486 HydrophobicContact CG-CG2 3.67Å
487	D	86.4	Confident	77.6	Confident	45 Å²	45	32.5 Å²	32.5	24%	0.241	19%	0.188	C	C	.	.			trans	64.8	69.6	179.6	-154.5	26.8	0	0	0	113.9	K214 G489	K214-D487 IonicContact NZ-OD1 2.65Å; K214-D487 PolarHBondContact NZ-OD1 3.03Å; D487-G489 PolarHBondContact O-N 3.34Å
488	F	84.4	Confident	76.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-81.3	8.1	-178.3	-64	-86.8	0	0	0	113.7	E234 L237 M238 V247 L414 V419 V490 S491	E234-F488 HydrophobicContact CG-CB 4.19Å; E234-F488 PolarHBondContact OE1-N 2.7Å; L237-F488 HydrophobicContact CD2-CB 4.06Å; L237-F488 HydrophobicContact CD2-CD1 3.68Å; L237-F488 HydrophobicContact CD2-CE1 4.27Å; L237-F488 HydrophobicContact CD2-CG 3.82Å; M238-F488 HydrophobicContact CE-CD2 4.41Å; M238-F488 HydrophobicContact CG-CD2 3.71Å; M238-F488 HydrophobicContact CG-CE2 4.31Å; M238-F488 HydrophobicContact CG-CG 4.36Å; M238-F488 HydrophobicContact SD-CD2 3.9Å; V247-F488 HydrophobicContact CG1-CE2 3.95Å; V247-F488 HydrophobicContact CG1-CZ 3.73Å; L414-F488 HydrophobicContact CD1-CE1 3.83Å; L414-F488 HydrophobicContact CD1-CZ 4.32Å; L414-F488 HydrophobicContact CD2-CE1 3.74Å; L414-F488 HydrophobicContact CD2-CZ 4.12Å; L414-F488 HydrophobicContact CG-CE1 4.47Å; V419-F488 HydrophobicContact CG1-CD1 4.42Å; V419-F488 HydrophobicContact CG1-CE1 4.48Å; F488-V490 PolarHBondContact O-N 3.48Å; F488-V490 VanDerWaalsContact O-N 3.08Å; F488-S491 WeakPolarHBondContact CA-OG 3.4Å; F488-S491 WeakPolarHBondContact CD1-OG 3.32Å; F488-S491 WeakPolarHBondContact O-CB 3.5Å; F488-S491 PolarHBondContact O-N 3.01Å; F488-S491 PolarHBondContact O-OG 2.85Å
489	G	72.4	Confident	75.4	Confident	3 Å²	3	40.7 Å²	40.7	3%	0.031	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-62.5	-14.4	-176.3	0	0	0	0	0	115.8	Y196 Q230 D487	Y196-G489 PolarHBondContact OH-O 3.37Å; Q230-G489 WeakPolarHBondContact CB-O 2.89Å; Q230-G489 WeakPolarHBondContact CG-O 3.22Å; D487-G489 PolarHBondContact O-N 3.34Å
490	V	74.9	Confident	75.2	Confident	28 Å²	28	42.9 Å²	42.9	17%	0.17	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-120.8	8.5	172.6	-60.8	0	0	0	0	113.6	R422 D423 F488	R422-V490 VanDerWaalsContact CZ-O 3.26Å; R422-V490 PolarHBondContact NE-O 3.06Å; R422-V490 PolarHBondContact NH2-O 2.92Å; D423-V490 HydrophobicContact CB-CG2 3.7Å; F488-V490 PolarHBondContact O-N 3.48Å; F488-V490 VanDerWaalsContact O-N 3.08Å
491	S	69.2	Low	75.2	Confident	6 Å²	6	46 Å²	46	4%	0.042	27%	0.272	C	S	.	.			trans	-66.5	171.9	178.1	-60.8	0	0	0	0	112.5	I420 H421 R422 F488	I420-S491 CarbonylContact O-C 3.29Å; I420-S491 VanDerWaalsContact O-CA 3.27Å; I420-S491 WeakPolarHBondContact O-CA 3.43Å; I420-S491 VanDerWaalsContact O-CB 3.24Å; I420-S491 WeakPolarHBondContact O-CB 3.42Å; H421-S491 WeakPolarHBondContact O-CA 3.4Å; H421-S491 PolarHBondContact O-OG 2.82Å; R422-S491 PolarHBondContact NH2-O 3.06Å; F488-S491 WeakPolarHBondContact CA-OG 3.4Å; F488-S491 WeakPolarHBondContact CD1-OG 3.32Å; F488-S491 WeakPolarHBondContact O-CB 3.5Å; F488-S491 PolarHBondContact O-N 3.01Å; F488-S491 PolarHBondContact O-OG 2.85Å
492	A	72.6	Confident	75	Confident	15 Å²	15	48.7 Å²	48.7	12%	0.124	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.8	173.2	0	0	0	0	0	109.9	V419 I420 V503	V419-A492 WeakPolarHBondContact CA-O 3.47Å; I420-A492 PolarHBondContact N-O 3.47Å; I420-A492 PolarHBondContact O-N 2.88Å; A492-V503 HydrophobicContact CB-CG1 3.95Å
493	S	70.6	Confident	74.5	Confident	45 Å²	45	48.5 Å²	48.5	32%	0.315	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	115.1	163.4	-63.4	0	0	0	0	108.7	R240	R240-S493 PolarHBondContact NH2-OG 3.4Å; R240-S493 VanDerWaalsContact NH2-OG 3.08Å
494	I	65.8	Low	73.5	Confident	29 Å²	29	52.7 Å²	52.7	15%	0.149	32%	0.315	C	S	.	.			trans	-76.4	136	166.1	-61.4	158	0	0	0	107.5	G418 I420 D501 V503	G418-I494 WeakPolarHBondContact O-CB 3.43Å; G418-I494 PolarHBondContact O-N 3.13Å; I420-I494 HydrophobicContact CD1-CD1 3.76Å; I420-I494 HydrophobicContact CG1-CD1 3.48Å; I420-I494 VanDerWaalsContact CG1-CD1 3.48Å; I420-I494 HydrophobicContact CG1-CG1 4.23Å; I494-D501 HydrophobicContact CD1-CB 3.92Å; I494-V503 HydrophobicContact CD1-CG1 4.5Å; I494-V503 HydrophobicContact CG1-CG1 4.28Å
495	S	56.6	Low	72	Confident	68 Å²	68	53.5 Å²	53.5	48%	0.476	33%	0.327	S	S	.	.			trans	-65.8	141	174.4	178.3	0	0	0	0	110.7	F497 S498	S495-F497 PolarHBondContact O-N 2.95Å; S495-F497 PolarHBondContact OG-N 3.2Å; S495-S498 VanDerWaalsContact O-CB 3.23Å; S495-S498 WeakPolarHBondContact O-CB 3.16Å; S495-S498 PolarHBondContact O-N 3.27Å
496	A	52.4	Low	70.3	Confident	102 Å²	102	55 Å²	55	84%	0.843	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-11.6	172.6	0	0	0	0	0	113.4
497	F	54.5	Low	69.2	Low	192 Å²	192	58.4 Å²	58.4	84%	0.842	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-2.3	172.8	-53.1	-68.9	0	0	0	113.5	S495	S495-F497 PolarHBondContact O-N 2.95Å; S495-F497 PolarHBondContact OG-N 3.2Å
498	S	61.6	Low	68.3	Low	58 Å²	58	56.5 Å²	56.5	41%	0.406	35%	0.347	S	S	.	.			trans	-68.3	134.4	173.4	-170.8	0	0	0	0	109.9	S495 N500	S495-S498 VanDerWaalsContact O-CB 3.23Å; S495-S498 WeakPolarHBondContact O-CB 3.16Å; S495-S498 PolarHBondContact O-N 3.27Å; S498-N500 VanDerWaalsContact C-N 3.29Å; S498-N500 PolarHBondContact OG-N 3.29Å; S498-N500 PolarHBondContact OG-O 3.24Å
499	T	55.6	Low	67.8	Low	134 Å²	134	57.1 Å²	57.1	82%	0.822	35%	0.351	S	S	*	.	S	Bend	trans	-76.1	-20	176.2	60.6	0	0	0	0	112.9
500	N	74.6	Confident	68.1	Low	90 Å²	90	57.7 Å²	57.7	48%	0.481	35%	0.354	S	S	.	.	S	Bend	trans	-140.5	153.5	-170.9	-56.6	26.2	0	0	0	111.4	S498 M502	S498-N500 VanDerWaalsContact C-N 3.29Å; S498-N500 PolarHBondContact OG-N 3.29Å; S498-N500 PolarHBondContact OG-O 3.24Å; N500-M502 HydrophobicContact CB-CG 3.74Å; N500-M502 PolarHBondContact O-N 3.22Å
501	D	77.4	Confident	68.3	Low	75 Å²	75	56.4 Å²	56.4	40%	0.401	35%	0.346	S	S	.	.			trans	-79.9	37.2	175.9	-54.9	-52.9	0	0	0	114.1	I494 G527 T528	I494-D501 HydrophobicContact CD1-CB 3.92Å; D501-G527 PolarHBondContact O-N 3.05Å; D501-T528 HydrophobicContact CB-CG2 3.77Å
502	M	81.5	Confident	68.9	Low	88 Å²	88	56.3 Å²	56.3	43%	0.433	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	123.9	-175.9	-62.6	-58	-61.3	0	0	111	N500 I524 F525 D526	N500-M502 HydrophobicContact CB-CG 3.74Å; N500-M502 PolarHBondContact O-N 3.22Å; M502-I524 HydrophobicContact CB-CG2 3.86Å; M502-I524 HydrophobicContact CE-CB 4.37Å; M502-I524 HydrophobicContact CE-CG2 3.84Å; M502-F525 CarbonylContact C-O 3.53Å; M502-F525 WeakPolarHBondContact CA-O 3.29Å; M502-D526 HydrophobicContact SD-CB 4.5Å
503	V	77.6	Confident	69.7	Low	6 Å²	6	56.4 Å²	56.4	4%	0.036	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	136.8	179.2	-62.3	0	0	0	0	111.6	I420 A492 I494 I524 F525	I420-V503 HydrophobicContact CB-CG1 4.21Å; I420-V503 HydrophobicContact CG1-CG1 3.85Å; A492-V503 HydrophobicContact CB-CG1 3.95Å; I494-V503 HydrophobicContact CD1-CG1 4.5Å; I494-V503 HydrophobicContact CG1-CG1 4.28Å; V503-I524 WeakPolarHBondContact O-CA 3.27Å; V503-F525 HydrophobicContact CG2-CB 4.49Å; V503-F525 PolarHBondContact N-O 3.35Å; V503-F525 PolarHBondContact O-N 3.19Å
504	S	72.5	Confident	70.7	Confident	89 Å²	89	54.2 Å²	54.2	62%	0.622	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	142.3	174.2	59.4	0	0	0	0	111.7	R422 S523	R422-S504 PolarHBondContact NH1-O 3.15Å; S504-S523 WeakPolarHBondContact CA-O 3.24Å
505	G	63.5	Low	72	Confident	30 Å²	30	53 Å²	53	31%	0.309	32%	0.322	S	S	.	.	S	Bend	trans	83.5	120	174.7	0	0	0	0	0	114.5	R422 Q507 S523	R422-G505 PolarHBondContact NH1-O 3.49Å; R422-G505 VanDerWaalsContact NH1-O 3.15Å; G505-Q507 PolarHBondContact O-N 2.9Å; G505-S523 PolarHBondContact N-O 3.31Å
506	G	59.9	Low	73.7	Confident	31 Å²	31	50.2 Å²	50.2	32%	0.32	30%	0.301	S	S	.	.			trans	-78.9	45.3	-178.3	0	0	0	0	0	115.4	T508 V517	G506-T508 PolarHBondContact O-N 3.35Å; G506-V517 VanDerWaalsContact CA-CG1 3.42Å
507	Q	69.5	Low	75.4	Confident	92 Å²	92	45.8 Å²	45.8	43%	0.43	26%	0.264	S	S	.	.			trans	-79.3	85.7	-178.2	-65.3	-170.1	7.8	0	0	111.2	G505	G505-Q507 PolarHBondContact O-N 2.9Å
508	T	66.9	Low	77	Confident	6 Å²	6	37.3 Å²	37.3	4%	0.037	23%	0.23	C	C	.	.	S	Bend	trans	-132.9	151.8	179.4	60.2	0	0	0	0	110.9	R422 G506 P510 Q513 L530	R422-T508 WeakPolarHBondContact O-CA 3.5Å; R422-T508 WeakPolarHBondContact O-CG2 3.47Å; G506-T508 PolarHBondContact O-N 3.35Å; T508-P510 WeakPolarHBondContact O-CD 3.18Å; T508-Q513 VanDerWaalsContact OG1-CB 3.32Å; T508-Q513 WeakPolarHBondContact OG1-CB 3.29Å; T508-Q513 VanDerWaalsContact OG1-CD 3.28Å; T508-Q513 WeakPolarHBondContact OG1-CG 3.41Å; T508-Q513 PolarHBondContact OG1-OE1 3.42Å; T508-Q513 VanDerWaalsContact OG1-OE1 3.07Å; T508-L530 HydrophobicContact CG2-CD1 3.91Å; T508-L530 HydrophobicContact CG2-CD2 3.83Å; T508-L530 HydrophobicContact CG2-CG 4.08Å
509	T	75.2	Confident	78.3	Confident	13 Å²	13	39.8 Å²	39.8	8%	0.08	23%	0.233	C	C	.	.			trans	-63.7	122.9	169.9	-68.6	0	0	0	0	110.6	F47 D423 K425 A511 V512 Q513	F47-T509 HydrophobicContact CB-CG2 4.26Å; F47-T509 HydrophobicContact CD1-CG2 3.67Å; F47-T509 HydrophobicContact CD2-CG2 4.09Å; F47-T509 HydrophobicContact CE1-CG2 4.06Å; F47-T509 HydrophobicContact CE2-CG2 4.42Å; F47-T509 HydrophobicContact CG-CG2 3.71Å; F47-T509 HydrophobicContact CZ-CG2 4.41Å; D423-T509 VanDerWaalsContact OD1-CB 3.29Å; D423-T509 WeakPolarHBondContact OD1-CB 3.41Å; D423-T509 PolarHBondContact OD1-N 2.89Å; D423-T509 PolarHBondContact OD1-OG1 3.29Å; K425-T509 HydrophobicContact CD-CG2 4.31Å; K425-T509 PolarHBondContact NZ-OG1 2.99Å; T509-A511 VanDerWaalsContact C-N 3.28Å; T509-A511 PolarHBondContact O-N 3.07Å; T509-V512 HydrophobicContact CG2-CG2 4.49Å; T509-V512 WeakPolarHBondContact O-CG2 3.43Å; T509-V512 PolarHBondContact O-N 2.83Å; T509-Q513 PolarHBondContact O-N 3.04Å
510	P	78.9	Confident	79.5	Confident	15 Å²	15	34.7 Å²	34.7	10%	0.097	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-22	-167.1	-32.5	34.2	0	0	0	119.2	F48 T508 Q513 V554 F558 I561	F48-P510 HydrophobicContact CE2-CB 3.65Å; F48-P510 HydrophobicContact CE2-CG 3.96Å; F48-P510 HydrophobicContact CZ-CB 3.81Å; T508-P510 WeakPolarHBondContact O-CD 3.18Å; P510-Q513 WeakPolarHBondContact O-CB 3.18Å; P510-V554 HydrophobicContact CB-CG1 4.13Å; P510-V554 HydrophobicContact CG-CG1 4.4Å; P510-F558 HydrophobicContact CB-CE1 3.71Å; P510-F558 HydrophobicContact CB-CZ 4.05Å; P510-F558 HydrophobicContact CG-CE1 4.33Å; P510-F558 HydrophobicContact CG-CZ 4.23Å; P510-I561 WeakPolarHBondContact O-CD1 3.09Å
511	A	78.2	Confident	79.6	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.008	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-28	178.6	0	0	0	0	0	113.3	F47 F48 T509	F47-A511 HydrophobicContact CD1-CB 4.39Å; F47-A511 HydrophobicContact CE1-CB 3.56Å; F47-A511 HydrophobicContact CZ-CB 4.31Å; F48-A511 HydrophobicContact CE1-CB 4.1Å; F48-A511 HydrophobicContact CZ-CB 3.67Å; T509-A511 VanDerWaalsContact C-N 3.28Å; T509-A511 PolarHBondContact O-N 3.07Å
512	V	83	Confident	79.6	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.024	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	4.5	175.6	-59.1	0	0	0	0	111.7	K425 T509 Y533 S534 V537	K425-V512 HydrophobicContact CB-CG1 4.13Å; T509-V512 HydrophobicContact CG2-CG2 4.49Å; T509-V512 WeakPolarHBondContact O-CG2 3.43Å; T509-V512 PolarHBondContact O-N 2.83Å; V512-Y533 WeakPolarHBondContact O-CD1 3.41Å; V512-S534 WeakPolarHBondContact O-CB 3.46Å; V512-S534 PolarHBondContact O-OG 3.26Å; V512-V537 HydrophobicContact CB-CB 4.42Å; V512-V537 HydrophobicContact CB-CG1 4.36Å; V512-V537 HydrophobicContact CG1-CB 4.18Å; V512-V537 HydrophobicContact CG1-CG1 3.78Å
513	Q	87.8	Confident	79.4	Confident	16 Å²	16	38.3 Å²	38.3	8%	0.075	24%	0.235	C	C	.	.			trans	-73.3	131.9	-174.3	179.6	162.1	-31.7	0	0	112	T508 T509 P510 V517 A518 Y533 I561	T508-Q513 VanDerWaalsContact OG1-CB 3.32Å; T508-Q513 WeakPolarHBondContact OG1-CB 3.29Å; T508-Q513 VanDerWaalsContact OG1-CD 3.28Å; T508-Q513 WeakPolarHBondContact OG1-CG 3.41Å; T508-Q513 PolarHBondContact OG1-OE1 3.42Å; T508-Q513 VanDerWaalsContact OG1-OE1 3.07Å; T509-Q513 PolarHBondContact O-N 3.04Å; P510-Q513 WeakPolarHBondContact O-CB 3.18Å; Q513-V517 HydrophobicContact CG-CB 3.81Å; Q513-V517 HydrophobicContact CG-CG1 3.94Å; Q513-A518 HydrophobicContact CG-CB 4.42Å; Q513-Y533 WeakPolarHBondContact O-CE1 3.47Å; Q513-I561 WeakPolarHBondContact O-CG2 3.47Å
514	P	92.6	Very high	79.7	Confident	0 Å²	0	42 Å²	42	0%	0	25%	0.254	C	S	.	.			trans	-68.2	154.7	177	-17.4	28.5	0	0	0	114	E516 V517 A518 L530 Y533	P514-E516 VanDerWaalsContact C-N 3.32Å; P514-E516 HydrophobicContact CB-CG 4.23Å; P514-E516 WeakPolarHBondContact CB-OE1 3.38Å; P514-E516 VanDerWaalsContact CB-OE2 3.31Å; P514-E516 WeakPolarHBondContact CB-OE2 3.42Å; P514-E516 PolarHBondContact O-N 2.7Å; P514-V517 HydrophobicContact CB-CG2 4.17Å; P514-V517 HydrophobicContact CG-CG2 4.03Å; P514-V517 WeakPolarHBondContact O-CB 3.11Å; P514-V517 PolarHBondContact O-N 3.32Å; P514-A518 PolarHBondContact O-N 3.18Å; P514-L530 HydrophobicContact CG-CB 4.2Å; P514-L530 HydrophobicContact CG-CG 3.88Å; P514-Y533 HydrophobicContact CB-CD1 4.02Å; P514-Y533 HydrophobicContact CB-CD2 4.46Å; P514-Y533 HydrophobicContact CB-CG 3.99Å; P514-Y533 HydrophobicContact CG-CD1 3.99Å; P514-Y533 HydrophobicContact CG-CG 4.12Å
515	P	92.7	Very high	80.3	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.013	23%	0.226	C	C	.	.	H	α-helix	trans	-66.9	-25.2	179.8	25.3	-33.5	0	0	0	114.7	V517 K519 Y533 I561 K586	P515-V517 VanDerWaalsContact C-N 3.32Å; P515-K519 VanDerWaalsContact O-CD 3.31Å; P515-K519 WeakPolarHBondContact O-CD 3.42Å; P515-K519 WeakPolarHBondContact O-CG 3.27Å; P515-K519 PolarHBondContact O-N 2.86Å; P515-Y533 HydrophobicContact CG-CE2 4.36Å; P515-I561 HydrophobicContact CB-CG2 4.11Å; P515-K586 HydrophobicContact CG-CB 4.48Å
516	E	91.4	Very high	81.6	Confident	10 Å²	10	39 Å²	39	5%	0.047	22%	0.223	C	C	.	.	H	α-helix	trans	-65.2	-36.6	169.6	62.4	-82.3	-164.1	0	0	111.9	P514 F525 P588 R591	P514-E516 VanDerWaalsContact C-N 3.32Å; P514-E516 HydrophobicContact CB-CG 4.23Å; P514-E516 WeakPolarHBondContact CB-OE1 3.38Å; P514-E516 VanDerWaalsContact CB-OE2 3.31Å; P514-E516 WeakPolarHBondContact CB-OE2 3.42Å; P514-E516 PolarHBondContact O-N 2.7Å; E516-F525 HydrophobicContact CB-CD1 4.32Å; E516-F525 HydrophobicContact CG-CD1 3.84Å; E516-F525 HydrophobicContact CG-CE1 4.39Å; E516-P588 HydrophobicContact CB-CG 4.32Å; E516-P588 VanDerWaalsContact CD-CG 3.43Å; E516-P588 HydrophobicContact CG-CG 3.94Å; E516-P588 WeakPolarHBondContact OE1-CG 3.35Å; E516-R591 IonicContact OE1-CZ 2.69Å; E516-R591 IonicContact OE1-NH1 2.8Å; E516-R591 PolarHBondContact OE1-NH1 2.68Å; E516-R591 IonicContact OE1-NH2 3.23Å; E516-R591 PolarHBondContact OE1-NH2 2.66Å; E516-R591 IonicContact OE2-CZ 3.37Å; E516-R591 IonicContact OE2-NH1 3.41Å; E516-R591 IonicContact OE2-NH2 2.44Å; E516-R591 PolarHBondContact OE2-NH2 2.88Å
517	V	89	Confident	83.1	Confident	9 Å²	9	37.5 Å²	37.5	6%	0.055	21%	0.208	C	C	.	.	H	α-helix	trans	-77.4	-44.7	177.9	-170.3	0	0	0	0	110.7	G506 Q513 P514 P515 K519 G520 F525 L530	G506-V517 VanDerWaalsContact CA-CG1 3.42Å; Q513-V517 HydrophobicContact CG-CB 3.81Å; Q513-V517 HydrophobicContact CG-CG1 3.94Å; P514-V517 HydrophobicContact CB-CG2 4.17Å; P514-V517 HydrophobicContact CG-CG2 4.03Å; P514-V517 WeakPolarHBondContact O-CB 3.11Å; P514-V517 PolarHBondContact O-N 3.32Å; P515-V517 VanDerWaalsContact C-N 3.32Å; V517-K519 PolarHBondContact O-N 3.12Å; V517-K519 VanDerWaalsContact O-N 3.15Å; V517-G520 PolarHBondContact O-N 3.21Å; V517-F525 HydrophobicContact CB-CE1 4.29Å; V517-F525 HydrophobicContact CB-CZ 4.27Å; V517-F525 HydrophobicContact CG1-CE2 4.39Å; V517-F525 HydrophobicContact CG1-CZ 4.16Å; V517-F525 HydrophobicContact CG2-CD1 3.92Å; V517-F525 HydrophobicContact CG2-CD2 4.3Å; V517-F525 HydrophobicContact CG2-CE1 3.91Å; V517-F525 HydrophobicContact CG2-CE2 4.3Å; V517-F525 HydrophobicContact CG2-CG 4.11Å; V517-F525 HydrophobicContact CG2-CZ 4.09Å; V517-L530 HydrophobicContact CG2-CD1 4.19Å
518	A	87.8	Confident	84.2	Confident	15 Å²	15	34.1 Å²	34.1	12%	0.124	19%	0.194	C	C	.	.	H	α-helix	trans	-62.1	-18.1	177.8	0	0	0	0	0	114.4	Q513 P514 F558 I561 V562	Q513-A518 HydrophobicContact CG-CB 4.42Å; P514-A518 PolarHBondContact O-N 3.18Å; A518-F558 HydrophobicContact CB-CB 4.29Å; A518-F558 HydrophobicContact CB-CD1 3.85Å; A518-F558 HydrophobicContact CB-CG 4.35Å; A518-I561 HydrophobicContact CB-CB 4.4Å; A518-I561 HydrophobicContact CB-CG2 3.85Å; A518-V562 HydrophobicContact CB-CG2 3.73Å
519	K	87.9	Confident	85.6	Confident	110 Å²	110	34.7 Å²	34.7	48%	0.478	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-26.4	171.9	-78	162.8	-168.8	170.2	0	114	P515 V517 V521 V562	P515-K519 VanDerWaalsContact O-CD 3.31Å; P515-K519 WeakPolarHBondContact O-CD 3.42Å; P515-K519 WeakPolarHBondContact O-CG 3.27Å; P515-K519 PolarHBondContact O-N 2.86Å; V517-K519 PolarHBondContact O-N 3.12Å; V517-K519 VanDerWaalsContact O-N 3.15Å; K519-V521 HydrophobicContact CB-CG2 4.4Å; K519-V521 PolarHBondContact O-N 3.49Å; K519-V562 HydrophobicContact CG-CG1 3.93Å; K519-V562 HydrophobicContact CG-CG2 3.8Å
520	G	81.5	Confident	86.5	Confident	27 Å²	27	34.1 Å²	34.1	28%	0.278	19%	0.192	S	C	.	.			trans	65.5	-9.6	-175.9	0	0	0	0	0	117	Q35 V517 Q522	Q35-G520 PolarHBondContact NE2-O 3Å; V517-G520 PolarHBondContact O-N 3.21Å; G520-Q522 VanDerWaalsContact C-N 3.33Å; G520-Q522 PolarHBondContact O-N 2.53Å
521	V	76.5	Confident	87.3	Confident	122 Å²	122	33.4 Å²	33.4	74%	0.739	19%	0.187	S	C	*	.	S	Bend	trans	-69.1	-28.3	-177.5	-179.6	0	0	0	0	112.8	K519	K519-V521 HydrophobicContact CB-CG2 4.4Å; K519-V521 PolarHBondContact O-N 3.49Å
522	Q	77.4	Confident	88.2	Confident	119 Å²	119	33.3 Å²	33.3	56%	0.556	19%	0.187	S	C	*	.			trans	-108.1	145.9	-178.6	-68.2	173.8	-9.3	0	0	110.3	G520 F525	G520-Q522 VanDerWaalsContact C-N 3.33Å; G520-Q522 PolarHBondContact O-N 2.53Å; Q522-F525 HydrophobicContact CB-CE1 3.92Å; Q522-F525 HydrophobicContact CB-CZ 4.47Å; Q522-F525 WeakPolarHBondContact O-CZ 3.48Å
523	S	77.5	Confident	88.9	Confident	87 Å²	87	33.3 Å²	33.3	61%	0.608	19%	0.187	S	C	*	.	S	Bend	trans	-104.6	-16.1	177.7	52	0	0	0	0	113.7	S504 G505	S504-S523 WeakPolarHBondContact CA-O 3.24Å; G505-S523 PolarHBondContact N-O 3.31Å
524	I	83.3	Confident	89.3	Confident	84 Å²	84	32.6 Å²	32.6	43%	0.431	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	134	-175.8	-36.9	-179.8	0	0	0	109	M502 V503	M502-I524 HydrophobicContact CB-CG2 3.86Å; M502-I524 HydrophobicContact CE-CB 4.37Å; M502-I524 HydrophobicContact CE-CG2 3.84Å; V503-I524 WeakPolarHBondContact O-CA 3.27Å
525	F	86.6	Confident	89.6	Confident	8 Å²	8	32.6 Å²	32.6	4%	0.035	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	157.9	-173.4	-49.1	-79	0	0	0	111.1	M502 V503 E516 V517 Q522 G527	M502-F525 CarbonylContact C-O 3.53Å; M502-F525 WeakPolarHBondContact CA-O 3.29Å; V503-F525 HydrophobicContact CG2-CB 4.49Å; V503-F525 PolarHBondContact N-O 3.35Å; V503-F525 PolarHBondContact O-N 3.19Å; E516-F525 HydrophobicContact CB-CD1 4.32Å; E516-F525 HydrophobicContact CG-CD1 3.84Å; E516-F525 HydrophobicContact CG-CE1 4.39Å; V517-F525 HydrophobicContact CB-CE1 4.29Å; V517-F525 HydrophobicContact CB-CZ 4.27Å; V517-F525 HydrophobicContact CG1-CE2 4.39Å; V517-F525 HydrophobicContact CG1-CZ 4.16Å; V517-F525 HydrophobicContact CG2-CD1 3.92Å; V517-F525 HydrophobicContact CG2-CD2 4.3Å; V517-F525 HydrophobicContact CG2-CE1 3.91Å; V517-F525 HydrophobicContact CG2-CE2 4.3Å; V517-F525 HydrophobicContact CG2-CG 4.11Å; V517-F525 HydrophobicContact CG2-CZ 4.09Å; Q522-F525 HydrophobicContact CB-CE1 3.92Å; Q522-F525 HydrophobicContact CB-CZ 4.47Å; Q522-F525 WeakPolarHBondContact O-CZ 3.48Å; F525-G527 PolarHBondContact O-N 3.19Å
526	D	90.4	Very high	89.8	Confident	48 Å²	48	32.5 Å²	32.5	26%	0.257	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	111.7	166	179.6	-33.2	0	0	0	108.6	M502 T528 K529 L530	M502-D526 HydrophobicContact SD-CB 4.5Å; D526-T528 PolarHBondContact O-N 2.91Å; D526-T528 PolarHBondContact OD1-N 3.11Å; D526-T528 PolarHBondContact OD1-OG1 3.45Å; D526-K529 HydrophobicContact CB-CB 4.04Å; D526-K529 HydrophobicContact CB-CG 3.93Å; D526-K529 PolarHBondContact O-N 3.39Å; D526-K529 WeakPolarHBondContact OD1-CG 3.32Å; D526-K529 PolarHBondContact OD1-N 3.16Å; D526-K529 WeakPolarHBondContact OD2-CG 3.42Å; D526-L530 WeakPolarHBondContact O-CB 3.12Å; D526-L530 PolarHBondContact O-N 3.24Å
527	G	90.8	Very high	90.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.5	-36	-175.2	0	0	0	0	0	113.1	I420 D501 F525 K529 L530 D531	I420-G527 VanDerWaalsContact CG2-O 3.28Å; I420-G527 WeakPolarHBondContact CG2-O 3.1Å; D501-G527 PolarHBondContact O-N 3.05Å; F525-G527 PolarHBondContact O-N 3.19Å; G527-K529 PolarHBondContact O-N 3.32Å; G527-L530 WeakPolarHBondContact O-CB 3.38Å; G527-L530 PolarHBondContact O-N 2.99Å; G527-D531 PolarHBondContact O-N 3.04Å; G527-D531 VanDerWaalsContact O-N 3.13Å
528	T	93.8	Very high	90.5	Very high	21 Å²	21	31.7 Å²	31.7	13%	0.129	18%	0.178	C	C	.	.	H	α-helix	trans	-67.3	-39.9	179.7	73.7	0	0	0	0	111	I420 D501 D526 V532	I420-T528 HydrophobicContact CD1-CG2 4.01Å; D501-T528 HydrophobicContact CB-CG2 3.77Å; D526-T528 PolarHBondContact O-N 2.91Å; D526-T528 PolarHBondContact OD1-N 3.11Å; D526-T528 PolarHBondContact OD1-OG1 3.45Å; T528-V532 WeakPolarHBondContact O-CG2 3.4Å; T528-V532 PolarHBondContact O-N 3.24Å
529	K	95.2	Very high	90.9	Very high	18 Å²	18	31 Å²	31	8%	0.078	17%	0.173	C	C	.	.	H	α-helix	trans	-72	-30.1	177.9	-60.6	-66.9	-176.5	174	0	112.4	D526 G527 Y533 P588 R591 L592 T593	D526-K529 HydrophobicContact CB-CB 4.04Å; D526-K529 HydrophobicContact CB-CG 3.93Å; D526-K529 PolarHBondContact O-N 3.39Å; D526-K529 WeakPolarHBondContact OD1-CG 3.32Å; D526-K529 PolarHBondContact OD1-N 3.16Å; D526-K529 WeakPolarHBondContact OD2-CG 3.42Å; G527-K529 PolarHBondContact O-N 3.32Å; K529-Y533 PolarHBondContact O-N 2.96Å; K529-Y533 VanDerWaalsContact O-N 3.1Å; K529-P588 HydrophobicContact CB-CB 4.17Å; K529-P588 WeakPolarHBondContact CD-O 3.33Å; K529-P588 WeakPolarHBondContact CE-O 3.41Å; K529-P588 HydrophobicContact CG-CB 4.36Å; K529-R591 HydrophobicContact CD-CB 4.26Å; K529-R591 PolarHBondContact NZ-O 3.15Å; K529-R591 VanDerWaalsContact O-CD 3.27Å; K529-R591 WeakPolarHBondContact O-CD 3.34Å; K529-R591 PolarHBondContact O-NH1 2.66Å; K529-L592 WeakPolarHBondContact CD-O 3.42Å; K529-L592 PolarHBondContact NZ-O 3.31Å; K529-L592 VanDerWaalsContact NZ-O 3.16Å; K529-T593 VanDerWaalsContact NZ-CG2 3.33Å
530	L	93.8	Very high	91.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63	-54.8	172.8	178.9	163.7	0	0	0	109.8	R422 T508 P514 V517 D526 G527 V532 Y533 S534	R422-L530 HydrophobicContact CB-CD2 4.18Å; R422-L530 HydrophobicContact CG-CD2 4.16Å; T508-L530 HydrophobicContact CG2-CD1 3.91Å; T508-L530 HydrophobicContact CG2-CD2 3.83Å; T508-L530 HydrophobicContact CG2-CG 4.08Å; P514-L530 HydrophobicContact CG-CB 4.2Å; P514-L530 HydrophobicContact CG-CG 3.88Å; V517-L530 HydrophobicContact CG2-CD1 4.19Å; D526-L530 WeakPolarHBondContact O-CB 3.12Å; D526-L530 PolarHBondContact O-N 3.24Å; G527-L530 WeakPolarHBondContact O-CB 3.38Å; G527-L530 PolarHBondContact O-N 2.99Å; L530-V532 VanDerWaalsContact C-N 3.31Å; L530-V532 PolarHBondContact O-N 2.96Å; L530-Y533 PolarHBondContact O-N 2.57Å; L530-Y533 VanDerWaalsContact O-N 3.12Å; L530-S534 PolarHBondContact O-N 2.99Å; L530-S534 VanDerWaalsContact O-N 3.14Å; L530-S534 PolarHBondContact O-OG 2.85Å
531	D	95.8	Very high	92	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.1	-38.9	177.7	-79.9	-11.9	0	0	0	112.1	L411 H415 I420 H421 R422 I424 G527 Y533 S534 A535	L411-D531 HydrophobicContact CD2-CB 3.94Å; H415-D531 IonicContact CD2-OD2 3.25Å; H415-D531 IonicContact CE1-OD2 2.81Å; H415-D531 IonicContact NE2-OD2 3.98Å; H415-D531 PolarHBondContact NE2-OD2 3.28Å; I420-D531 WeakPolarHBondContact CG2-OD2 3.23Å; H421-D531 PolarHBondContact N-OD1 3.09Å; H421-D531 PolarHBondContact N-OD2 2.97Å; R422-D531 WeakPolarHBondContact CA-OD1 3.21Å; R422-D531 PolarHBondContact N-OD1 3.07Å; I424-D531 HydrophobicContact CG1-CB 4.36Å; G527-D531 PolarHBondContact O-N 3.04Å; G527-D531 VanDerWaalsContact O-N 3.13Å; D531-Y533 PolarHBondContact O-N 3.41Å; D531-S534 PolarHBondContact O-N 3.05Å; D531-A535 WeakPolarHBondContact O-CB 3.41Å; D531-A535 PolarHBondContact O-N 2.9Å
532	V	97.5	Very high	92.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.5	-40.8	174.8	162.4	0	0	0	0	112.5	T528 L530 G536 M583 R591 L594 I597	T528-V532 WeakPolarHBondContact O-CG2 3.4Å; T528-V532 PolarHBondContact O-N 3.24Å; L530-V532 VanDerWaalsContact C-N 3.31Å; L530-V532 PolarHBondContact O-N 2.96Å; V532-G536 PolarHBondContact O-N 2.79Å; V532-M583 HydrophobicContact CG1-CB 4.28Å; V532-M583 HydrophobicContact CG1-CE 4.29Å; V532-M583 HydrophobicContact CG1-CG 4.28Å; V532-M583 VanDerWaalsContact O-CE 3.25Å; V532-M583 WeakPolarHBondContact O-CE 3.48Å; V532-R591 HydrophobicContact CG1-CG 3.97Å; V532-L594 HydrophobicContact CG2-CD2 3.85Å; V532-L594 HydrophobicContact CG2-CG 4.34Å; V532-I597 HydrophobicContact CG1-CD1 3.95Å; V532-I597 HydrophobicContact CG2-CD1 4.03Å
533	Y	97.4	Very high	93.7	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.016	8%	0.082	C	C	.	.	H	α-helix	trans	-66.1	-46.4	177.9	-178.4	-83.3	0	0	0	111	V512 Q513 P514 P515 K529 L530 D531 A535 G536 V537 F549 M584	V512-Y533 WeakPolarHBondContact O-CD1 3.41Å; Q513-Y533 WeakPolarHBondContact O-CE1 3.47Å; P514-Y533 HydrophobicContact CB-CD1 4.02Å; P514-Y533 HydrophobicContact CB-CD2 4.46Å; P514-Y533 HydrophobicContact CB-CG 3.99Å; P514-Y533 HydrophobicContact CG-CD1 3.99Å; P514-Y533 HydrophobicContact CG-CG 4.12Å; P515-Y533 HydrophobicContact CG-CE2 4.36Å; K529-Y533 PolarHBondContact O-N 2.96Å; K529-Y533 VanDerWaalsContact O-N 3.1Å; L530-Y533 PolarHBondContact O-N 2.57Å; L530-Y533 VanDerWaalsContact O-N 3.12Å; D531-Y533 PolarHBondContact O-N 3.41Å; Y533-A535 VanDerWaalsContact C-N 3.32Å; Y533-A535 PolarHBondContact O-N 2.95Å; Y533-G536 WeakPolarHBondContact O-CA 3.46Å; Y533-G536 PolarHBondContact O-N 3.02Å; Y533-V537 HydrophobicContact CD1-CG2 4.11Å; Y533-V537 HydrophobicContact CE1-CG2 3.7Å; Y533-V537 PolarHBondContact O-N 3.45Å; Y533-F549 WeakPolarHBondContact OH-CE2 3.44Å; Y533-M584 HydrophobicContact CD2-CB 4.26Å; Y533-M584 HydrophobicContact CE2-CB 3.96Å; Y533-M584 HydrophobicContact CE2-CG 4.35Å; Y533-M584 WeakPolarHBondContact CE2-O 3.46Å
534	S	96.5	Very high	94.4	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-64.6	-35.2	178.6	-55.6	0	0	0	0	112.3	I424 V512 L530 D531 G536 V537 T538	I424-S534 WeakPolarHBondContact O-CB 3.5Å; V512-S534 WeakPolarHBondContact O-CB 3.46Å; V512-S534 PolarHBondContact O-OG 3.26Å; L530-S534 PolarHBondContact O-N 2.99Å; L530-S534 VanDerWaalsContact O-N 3.14Å; L530-S534 PolarHBondContact O-OG 2.85Å; D531-S534 PolarHBondContact O-N 3.05Å; S534-G536 VanDerWaalsContact C-N 3.34Å; S534-V537 PolarHBondContact O-N 2.65Å; S534-T538 WeakPolarHBondContact O-CB 3.22Å; S534-T538 PolarHBondContact O-N 3.22Å; S534-T538 PolarHBondContact O-OG1 3.08Å
535	A	97.8	Very high	94.7	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-64.5	-34.5	169	0	0	0	0	0	112.8	L407 L411 I424 D531 Y533 T538 L539 M583	L407-A535 HydrophobicContact CD2-CB 4.19Å; L411-A535 HydrophobicContact CD1-CB 4.04Å; I424-A535 HydrophobicContact CG2-CB 4.1Å; D531-A535 WeakPolarHBondContact O-CB 3.41Å; D531-A535 PolarHBondContact O-N 2.9Å; Y533-A535 VanDerWaalsContact C-N 3.32Å; Y533-A535 PolarHBondContact O-N 2.95Å; A535-T538 WeakPolarHBondContact O-CB 3.24Å; A535-T538 PolarHBondContact O-N 2.92Å; A535-L539 WeakPolarHBondContact O-CB 3.27Å; A535-L539 PolarHBondContact O-N 3.39Å; A535-M583 HydrophobicContact CB-CE 3.77Å
536	G	98	Very high	94.9	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-68.1	-42.5	175.6	0	0	0	0	0	112.7	V532 Y533 S534 T538 L539 Y540	V532-G536 PolarHBondContact O-N 2.79Å; Y533-G536 WeakPolarHBondContact O-CA 3.46Å; Y533-G536 PolarHBondContact O-N 3.02Å; S534-G536 VanDerWaalsContact C-N 3.34Å; G536-T538 VanDerWaalsContact C-N 3.33Å; G536-L539 PolarHBondContact O-N 3.1Å; G536-Y540 PolarHBondContact O-N 2.82Å
537	V	97.1	Very high	94.9	Very high	3 Å²	3	7.5 Å²	7.5	2%	0.018	4%	0.037	C	C	.	.	H	α-helix	trans	-64	-39.3	171.7	176.9	0	0	0	0	111.1	V512 Y533 S534 Y540 F541 P548 M584	V512-V537 HydrophobicContact CB-CB 4.42Å; V512-V537 HydrophobicContact CB-CG1 4.36Å; V512-V537 HydrophobicContact CG1-CB 4.18Å; V512-V537 HydrophobicContact CG1-CG1 3.78Å; Y533-V537 HydrophobicContact CD1-CG2 4.11Å; Y533-V537 HydrophobicContact CE1-CG2 3.7Å; Y533-V537 PolarHBondContact O-N 3.45Å; S534-V537 PolarHBondContact O-N 2.65Å; V537-Y540 WeakPolarHBondContact O-CB 3.42Å; V537-Y540 PolarHBondContact O-N 2.9Å; V537-F541 PolarHBondContact O-N 3.11Å; V537-P548 HydrophobicContact CG1-CG 3.87Å; V537-P548 HydrophobicContact CG2-CG 4.21Å; V537-M584 HydrophobicContact CG2-CE 3.82Å; V537-M584 HydrophobicContact CG2-CG 4.22Å; V537-M584 HydrophobicContact CG2-SD 3.9Å
538	T	96.8	Very high	95	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-62.1	-43.6	175.5	-63.9	0	0	0	0	111.7	L407 I424 K425 P426 L429 S534 A535 G536 F541 M542	L407-T538 HydrophobicContact CD2-CG2 4.29Å; I424-T538 PolarHBondContact O-OG1 3.08Å; K425-T538 WeakPolarHBondContact CA-OG1 3.44Å; P426-T538 HydrophobicContact CG-CG2 4.1Å; L429-T538 HydrophobicContact CD1-CG2 3.81Å; S534-T538 WeakPolarHBondContact O-CB 3.22Å; S534-T538 PolarHBondContact O-N 3.22Å; S534-T538 PolarHBondContact O-OG1 3.08Å; A535-T538 WeakPolarHBondContact O-CB 3.24Å; A535-T538 PolarHBondContact O-N 2.92Å; G536-T538 VanDerWaalsContact C-N 3.33Å; T538-F541 PolarHBondContact O-N 3.41Å; T538-M542 WeakPolarHBondContact O-CG 3.36Å; T538-M542 PolarHBondContact O-N 3.12Å
539	L	97.8	Very high	95	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-63.5	-43	174.4	177.8	57.5	0	0	0	112.2	F404 A535 G536 F541 M542 L543 L579 I580 W602	F404-L539 HydrophobicContact CB-CD1 4.24Å; F404-L539 HydrophobicContact CD1-CD2 4.48Å; F404-L539 HydrophobicContact CD2-CB 3.87Å; F404-L539 HydrophobicContact CD2-CD1 4.06Å; F404-L539 HydrophobicContact CD2-CD2 3.99Å; F404-L539 HydrophobicContact CD2-CG 4.18Å; F404-L539 HydrophobicContact CE1-CD2 4.4Å; F404-L539 HydrophobicContact CE2-CB 3.96Å; F404-L539 HydrophobicContact CE2-CD2 3.91Å; F404-L539 HydrophobicContact CE2-CG 4.41Å; F404-L539 HydrophobicContact CG-CD1 4.17Å; F404-L539 HydrophobicContact CG-CD2 4.28Å; F404-L539 HydrophobicContact CZ-CD2 4.13Å; A535-L539 WeakPolarHBondContact O-CB 3.27Å; A535-L539 PolarHBondContact O-N 3.39Å; G536-L539 PolarHBondContact O-N 3.1Å; L539-F541 VanDerWaalsContact C-N 3.32Å; L539-F541 PolarHBondContact O-N 3.17Å; L539-M542 HydrophobicContact CD1-CE 4.09Å; L539-M542 PolarHBondContact O-N 3.44Å; L539-L543 HydrophobicContact CD1-CD1 3.64Å; L539-L543 HydrophobicContact CD1-CG 4.08Å; L539-L543 HydrophobicContact CG-CD1 3.99Å; L539-L543 WeakPolarHBondContact O-CG 3.44Å; L539-L543 PolarHBondContact O-N 3.38Å; L539-L543 VanDerWaalsContact O-N 3.08Å; L539-L579 HydrophobicContact CD2-CD2 3.83Å; L539-L579 HydrophobicContact CD2-CG 4.31Å; L539-I580 HydrophobicContact CD2-CG1 3.86Å; L539-I580 HydrophobicContact CG-CD1 4.26Å; L539-I580 HydrophobicContact CG-CG1 4Å; L539-W602 HydrophobicContact CD1-CH2 3.49Å; L539-W602 VanDerWaalsContact CD1-CH2 3.49Å; L539-W602 HydrophobicContact CD1-CZ2 4.42Å; L539-W602 HydrophobicContact CD1-CZ3 3.82Å; L539-W602 HydrophobicContact CD2-CE3 4.41Å; L539-W602 HydrophobicContact CD2-CH2 4.3Å; L539-W602 HydrophobicContact CD2-CZ3 3.86Å
540	Y	97.4	Very high	94.5	Very high	15 Å²	15	10 Å²	10	6%	0.059	6%	0.056	C	C	.	.	H	α-helix	trans	-57.4	-44.4	173.1	178.3	-79.8	0	0	0	111.6	G536 V537 L543 T544 H546 P548 Y566 T567 I568 I580	G536-Y540 PolarHBondContact O-N 2.82Å; V537-Y540 WeakPolarHBondContact O-CB 3.42Å; V537-Y540 PolarHBondContact O-N 2.9Å; Y540-L543 PolarHBondContact O-N 3.37Å; Y540-T544 HydrophobicContact CD1-CG2 4.33Å; Y540-T544 WeakPolarHBondContact CD1-OG1 3.44Å; Y540-T544 HydrophobicContact CD2-CG2 4.23Å; Y540-T544 HydrophobicContact CE1-CG2 4.08Å; Y540-T544 WeakPolarHBondContact CE1-OG1 3.41Å; Y540-T544 HydrophobicContact CE2-CG2 4Å; Y540-T544 HydrophobicContact CG-CG2 4.39Å; Y540-T544 WeakPolarHBondContact O-CB 3.39Å; Y540-T544 WeakPolarHBondContact O-CG2 2.98Å; Y540-T544 PolarHBondContact O-N 3.02Å; Y540-T544 PolarHBondContact O-OG1 3.33Å; Y540-H546 VanDerWaalsContact CD1-O 3.29Å; Y540-H546 WeakPolarHBondContact CD1-O 3.48Å; Y540-H546 VanDerWaalsContact CE1-O 3.23Å; Y540-H546 WeakPolarHBondContact CE1-O 3.44Å; Y540-P548 HydrophobicContact CD1-CB 3.84Å; Y540-P548 HydrophobicContact CD1-CG 4.07Å; Y540-P548 HydrophobicContact CD2-CB 4.3Å; Y540-P548 VanDerWaalsContact CE1-CA 3.49Å; Y540-P548 HydrophobicContact CE1-CB 3.77Å; Y540-P548 HydrophobicContact CE1-CG 4.39Å; Y540-P548 HydrophobicContact CE2-CB 4.21Å; Y540-P548 HydrophobicContact CG-CB 4.12Å; Y540-P548 HydrophobicContact CG-CG 4.4Å; Y540-Y566 HydrophobicContact CD2-CD2 4.4Å; Y540-Y566 HydrophobicContact CD2-CE2 4.44Å; Y540-Y566 HydrophobicContact CE2-CD2 4.16Å; Y540-T567 WeakPolarHBondContact CE2-O 3.29Å; Y540-T567 PolarHBondContact OH-O 3.05Å; Y540-T567 VanDerWaalsContact OH-O 3.08Å; Y540-I568 HydrophobicContact CD2-CG1 4.24Å; Y540-I568 HydrophobicContact CE2-CG1 4.11Å; Y540-I580 HydrophobicContact CD2-CG2 4.38Å
541	F	95.1	Very high	94	Very high	8 Å²	8	12.3 Å²	12.3	4%	0.035	7%	0.072	C	C	.	.	H	α-helix	trans	-66.2	-41.8	179	-174.3	-88	0	0	0	112.6	M51 Q277 F392 P426 V537 T538 L539 L543 G545 H546 V547	M51-F541 HydrophobicContact CE-CE2 4.32Å; Q277-F541 HydrophobicContact CB-CE1 4.29Å; Q277-F541 PolarHBondContact NE2-O 3.12Å; Q277-F541 VanDerWaalsContact OE1-CD1 3.26Å; F392-F541 HydrophobicContact CB-CZ 4.01Å; F392-F541 AromaticContact CD1-CZ 3.96Å; F392-F541 HydrophobicContact CD1-CZ 3.96Å; F392-F541 HydrophobicContact CD2-CE2 4.22Å; F392-F541 AromaticContact CD2-CZ 3.92Å; F392-F541 HydrophobicContact CD2-CZ 3.92Å; F392-F541 HydrophobicContact CE1-CZ 4.42Å; F392-F541 HydrophobicContact CE2-CZ 4.39Å; F392-F541 HydrophobicContact CG-CE2 4.41Å; F392-F541 AromaticContact CG-CZ 3.7Å; F392-F541 HydrophobicContact CG-CZ 3.7Å; P426-F541 HydrophobicContact CB-CD1 4.26Å; P426-F541 HydrophobicContact CB-CE1 4.46Å; P426-F541 HydrophobicContact CG-CB 4.31Å; P426-F541 HydrophobicContact CG-CD1 3.55Å; P426-F541 HydrophobicContact CG-CE1 4.15Å; P426-F541 HydrophobicContact CG-CG 4.12Å; V537-F541 PolarHBondContact O-N 3.11Å; T538-F541 PolarHBondContact O-N 3.41Å; L539-F541 VanDerWaalsContact C-N 3.32Å; L539-F541 PolarHBondContact O-N 3.17Å; F541-L543 VanDerWaalsContact C-N 3.32Å; F541-L543 PolarHBondContact O-N 2.91Å; F541-G545 WeakPolarHBondContact O-CA 3.39Å; F541-G545 PolarHBondContact O-N 3.35Å; F541-H546 WeakPolarHBondContact CA-O 3.5Å; F541-H546 WeakPolarHBondContact CD2-O 3.39Å; F541-V547 HydrophobicContact CD2-CG1 3.93Å; F541-V547 HydrophobicContact CE2-CG1 4.3Å
542	M	95	Very high	93.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59	-42.5	174.9	-73.4	-168.6	-62.1	0	0	112.2	V273 L395 A400 Y403 F404 T538 L539	V273-M542 HydrophobicContact CG1-CG 4.04Å; V273-M542 HydrophobicContact CG1-SD 4.04Å; L395-M542 HydrophobicContact CD1-CB 4.11Å; L395-M542 HydrophobicContact CD1-CG 3.99Å; L395-M542 HydrophobicContact CD1-SD 4.01Å; L395-M542 PolarHBondContact N-O 3.27Å; A400-M542 HydrophobicContact CB-CB 4.05Å; Y403-M542 HydrophobicContact CD2-SD 4.35Å; F404-M542 HydrophobicContact CB-CE 4.19Å; F404-M542 HydrophobicContact CD2-CE 4.5Å; T538-M542 WeakPolarHBondContact O-CG 3.36Å; T538-M542 PolarHBondContact O-N 3.12Å; L539-M542 HydrophobicContact CD1-CE 4.09Å; L539-M542 PolarHBondContact O-N 3.44Å
543	L	94.3	Very high	92.9	Very high	9 Å²	9	23.7 Å²	23.7	5%	0.047	13%	0.128	C	C	.	.	H	α-helix	trans	-83	-23.9	-176.3	-69.8	170.7	0	0	0	114.5	R394 E397 A400 L539 Y540 F541 V572 A576 I580 W602	R394-L543 WeakPolarHBondContact CD-O 3.33Å; E397-L543 HydrophobicContact CB-CD2 4.05Å; E397-L543 HydrophobicContact CG-CD2 3.84Å; A400-L543 HydrophobicContact CB-CD2 3.53Å; A400-L543 HydrophobicContact CB-CG 4.03Å; L539-L543 HydrophobicContact CD1-CD1 3.64Å; L539-L543 HydrophobicContact CD1-CG 4.08Å; L539-L543 HydrophobicContact CG-CD1 3.99Å; L539-L543 WeakPolarHBondContact O-CG 3.44Å; L539-L543 PolarHBondContact O-N 3.38Å; L539-L543 VanDerWaalsContact O-N 3.08Å; Y540-L543 PolarHBondContact O-N 3.37Å; F541-L543 VanDerWaalsContact C-N 3.32Å; F541-L543 PolarHBondContact O-N 2.91Å; L543-V572 HydrophobicContact CB-CG2 4.28Å; L543-V572 HydrophobicContact CD1-CG1 4.1Å; L543-A576 HydrophobicContact CD1-CB 3.96Å; L543-I580 HydrophobicContact CD1-CD1 4.14Å; L543-W602 HydrophobicContact CD1-CZ2 4.31Å
544	T	92.8	Very high	92.3	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	14%	0.144	C	C	.	.	H	α-helix	trans	-112.4	-20.8	-174.5	66.5	0	0	0	0	114.9	R394 Y540 H546 P569 Y571 V572	R394-T544 WeakPolarHBondContact CD-O 3.2Å; R394-T544 WeakPolarHBondContact CG-O 3.18Å; R394-T544 PolarHBondContact NE-O 3.04Å; Y540-T544 HydrophobicContact CD1-CG2 4.33Å; Y540-T544 WeakPolarHBondContact CD1-OG1 3.44Å; Y540-T544 HydrophobicContact CD2-CG2 4.23Å; Y540-T544 HydrophobicContact CE1-CG2 4.08Å; Y540-T544 WeakPolarHBondContact CE1-OG1 3.41Å; Y540-T544 HydrophobicContact CE2-CG2 4Å; Y540-T544 HydrophobicContact CG-CG2 4.39Å; Y540-T544 WeakPolarHBondContact O-CB 3.39Å; Y540-T544 WeakPolarHBondContact O-CG2 2.98Å; Y540-T544 PolarHBondContact O-N 3.02Å; Y540-T544 PolarHBondContact O-OG1 3.33Å; T544-H546 PolarHBondContact O-N 2.83Å; T544-H546 PolarHBondContact O-ND1 3.36Å; T544-H546 PolarHBondContact OG1-N 3.14Å; T544-H546 PolarHBondContact OG1-O 3.12Å; T544-H546 VanDerWaalsContact OG1-O 3.13Å; T544-P569 HydrophobicContact CG2-CG 4.07Å; T544-Y571 PolarHBondContact O-OH 3.49Å; T544-V572 HydrophobicContact CG2-CG2 4.09Å
545	G	89.5	Confident	91.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	70.7	13.2	-170.7	0	0	0	0	0	114.1	F541	F541-G545 WeakPolarHBondContact O-CA 3.39Å; F541-G545 PolarHBondContact O-N 3.35Å
546	H	89.4	Confident	91.4	Very high	55 Å²	55	35 Å²	35	26%	0.255	19%	0.188	S	C	.	.	S	Bend	trans	-137.9	157.2	-176.4	-60.9	75.7	0	0	0	110.2	Y540 F541 T544	Y540-H546 VanDerWaalsContact CD1-O 3.29Å; Y540-H546 WeakPolarHBondContact CD1-O 3.48Å; Y540-H546 VanDerWaalsContact CE1-O 3.23Å; Y540-H546 WeakPolarHBondContact CE1-O 3.44Å; F541-H546 WeakPolarHBondContact CA-O 3.5Å; F541-H546 WeakPolarHBondContact CD2-O 3.39Å; T544-H546 PolarHBondContact O-N 2.83Å; T544-H546 PolarHBondContact O-ND1 3.36Å; T544-H546 PolarHBondContact OG1-N 3.14Å; T544-H546 PolarHBondContact OG1-O 3.12Å; T544-H546 VanDerWaalsContact OG1-O 3.13Å
547	V	90.8	Very high	90.9	Very high	23 Å²	23	35.3 Å²	35.3	14%	0.139	19%	0.189	C	C	.	.			trans	-80.9	149	167.3	-68.3	0	0	0	0	110.5	M51 F541 F549	M51-V547 HydrophobicContact CE-CG1 4.14Å; M51-V547 HydrophobicContact SD-CG1 3.89Å; M51-V547 HydrophobicContact SD-CG2 4.38Å; F541-V547 HydrophobicContact CD2-CG1 3.93Å; F541-V547 HydrophobicContact CE2-CG1 4.3Å; V547-F549 VanDerWaalsContact C-N 3.27Å; V547-F549 WeakPolarHBondContact CG2-O 3.3Å; V547-F549 PolarHBondContact O-N 3.35Å
548	P	93.9	Very high	90.5	Very high	13 Å²	13	36.9 Å²	36.9	8%	0.084	20%	0.196	C	C	.	.	S	Bend	trans	-73.7	-18.4	-178.3	27.6	-32.3	0	0	0	113.3	V537 Y540 Y566 M584	V537-P548 HydrophobicContact CG1-CG 3.87Å; V537-P548 HydrophobicContact CG2-CG 4.21Å; Y540-P548 HydrophobicContact CD1-CB 3.84Å; Y540-P548 HydrophobicContact CD1-CG 4.07Å; Y540-P548 HydrophobicContact CD2-CB 4.3Å; Y540-P548 VanDerWaalsContact CE1-CA 3.49Å; Y540-P548 HydrophobicContact CE1-CB 3.77Å; Y540-P548 HydrophobicContact CE1-CG 4.39Å; Y540-P548 HydrophobicContact CE2-CB 4.21Å; Y540-P548 HydrophobicContact CG-CB 4.12Å; Y540-P548 HydrophobicContact CG-CG 4.4Å; P548-Y566 HydrophobicContact CB-CD2 3.97Å; P548-Y566 HydrophobicContact CB-CG 4.19Å; P548-Y566 WeakPolarHBondContact O-CB 3.49Å; P548-M584 HydrophobicContact CB-CE 3.94Å; P548-M584 HydrophobicContact CG-CE 3.72Å; P548-M584 HydrophobicContact CG-SD 4.5Å
549	F	92	Very high	90.3	Very high	9 Å²	9	43.1 Å²	43.1	4%	0.039	23%	0.225	C	C	.	.			trans	-132.4	115.7	176.3	-50.1	-75.1	0	0	0	109.3	Y533 V547 A560 I561 Y566 M584	Y533-F549 WeakPolarHBondContact OH-CE2 3.44Å; V547-F549 VanDerWaalsContact C-N 3.27Å; V547-F549 WeakPolarHBondContact CG2-O 3.3Å; V547-F549 PolarHBondContact O-N 3.35Å; F549-A560 HydrophobicContact CB-CB 4.33Å; F549-A560 HydrophobicContact CD1-CB 4.13Å; F549-A560 WeakPolarHBondContact CD1-O 3.26Å; F549-A560 WeakPolarHBondContact CE1-O 3.43Å; F549-I561 HydrophobicContact CB-CG1 4.12Å; F549-I561 HydrophobicContact CD2-CD1 4.44Å; F549-I561 HydrophobicContact CD2-CG1 3.49Å; F549-I561 VanDerWaalsContact CD2-CG1 3.49Å; F549-I561 HydrophobicContact CE2-CG1 4.01Å; F549-I561 HydrophobicContact CG-CG1 3.79Å; F549-Y566 HydrophobicContact CE1-CD1 4.16Å; F549-Y566 HydrophobicContact CE1-CG 4.33Å; F549-Y566 AromaticContact CZ-CD1 3.77Å; F549-Y566 HydrophobicContact CZ-CD1 3.77Å; F549-Y566 HydrophobicContact CZ-CG 4.14Å; F549-M584 HydrophobicContact CE2-CE 3.76Å; F549-M584 HydrophobicContact CZ-CE 4.17Å
550	S	84.8	Confident	89.9	Confident	69 Å²	69	44.2 Å²	44.2	48%	0.483	23%	0.234	S	C	.	.			trans	-133.5	129.7	173.9	54.2	0	0	0	0	110.3
551	C	84.9	Confident	89.7	Confident	50 Å²	50	43.5 Å²	43.5	34%	0.338	23%	0.231	S	C	.	.			trans	-146.3	171.7	-179.3	-53.9	0	0	0	0	110.1	N553 Q556 I557	C551-N553 VanDerWaalsContact C-N 3.27Å; C551-N553 PolarHBondContact O-N 2.86Å; C551-Q556 HydrophobicContact CB-CB 3.41Å; C551-Q556 VanDerWaalsContact CB-CB 3.41Å; C551-I557 HydrophobicContact CB-CG1 3.74Å
552	Q	84.2	Confident	89.6	Confident	169 Å²	169	45.6 Å²	45.6	79%	0.79	24%	0.244	S	C	*	.	S	Bend	trans	-72.4	-17	-173.6	-64.7	178.9	-17	0	0	114.2
553	N	84.6	Confident	89.5	Confident	69 Å²	69	51.9 Å²	51.9	37%	0.369	27%	0.272	S	S	.	.	S	Bend	trans	-154	160.3	178.7	62.4	75.1	0	0	0	111.3	C551 L555 Q556 I557	C551-N553 VanDerWaalsContact C-N 3.27Å; C551-N553 PolarHBondContact O-N 2.86Å; N553-L555 VanDerWaalsContact C-N 3.27Å; N553-L555 PolarHBondContact O-N 2.9Å; N553-L555 WeakPolarHBondContact OD1-CB 3.46Å; N553-L555 PolarHBondContact OD1-N 2.88Å; N553-Q556 PolarHBondContact ND2-NE2 3.05Å; N553-Q556 PolarHBondContact ND2-OE1 3.14Å; N553-Q556 PolarHBondContact O-N 2.62Å; N553-Q556 VanDerWaalsContact O-N 3.16Å; N553-Q556 PolarHBondContact OD1-N 3.17Å; N553-I557 WeakPolarHBondContact O-CG1 3.38Å; N553-I557 PolarHBondContact O-N 2.8Å; N553-I557 VanDerWaalsContact O-N 3.11Å
554	V	84.6	Confident	89.4	Confident	58 Å²	58	51.8 Å²	51.8	35%	0.352	27%	0.273	S	S	.	.	H	α-helix	trans	-61.6	-31.1	-173.5	-173.7	0	0	0	0	113	P510 I557 F558	P510-V554 HydrophobicContact CB-CG1 4.13Å; P510-V554 HydrophobicContact CG-CG1 4.4Å; V554-I557 PolarHBondContact O-N 3.03Å; V554-F558 HydrophobicContact CG1-CD2 4.16Å; V554-F558 HydrophobicContact CG1-CE1 4.26Å; V554-F558 HydrophobicContact CG1-CE2 3.67Å; V554-F558 HydrophobicContact CG1-CZ 3.72Å; V554-F558 WeakPolarHBondContact O-CD2 3.48Å; V554-F558 WeakPolarHBondContact O-CG 3.26Å; V554-F558 PolarHBondContact O-N 3.31Å
555	L	87.5	Confident	89.3	Confident	116 Å²	116	56.1 Å²	56.1	61%	0.607	30%	0.296	S	S	*	.	H	α-helix	trans	-66.5	-44.8	176.8	-62.2	177.7	0	0	0	111.4	N553 I557 F558 E559	N553-L555 VanDerWaalsContact C-N 3.27Å; N553-L555 PolarHBondContact O-N 2.9Å; N553-L555 WeakPolarHBondContact OD1-CB 3.46Å; N553-L555 PolarHBondContact OD1-N 2.88Å; L555-I557 VanDerWaalsContact C-N 3.27Å; L555-I557 PolarHBondContact O-N 3.47Å; L555-F558 PolarHBondContact O-N 2.77Å; L555-E559 WeakPolarHBondContact O-CG 3.4Å; L555-E559 PolarHBondContact O-N 2.62Å
556	Q	88.8	Confident	89.5	Confident	68 Å²	68	57.9 Å²	57.9	32%	0.318	30%	0.303	S	S	.	.	H	α-helix	trans	-63.1	-33.2	172.8	-70	173	-5.7	0	0	112.3	C551 N553 E559 A560	C551-Q556 HydrophobicContact CB-CB 3.41Å; C551-Q556 VanDerWaalsContact CB-CB 3.41Å; N553-Q556 PolarHBondContact ND2-NE2 3.05Å; N553-Q556 PolarHBondContact ND2-OE1 3.14Å; N553-Q556 PolarHBondContact O-N 2.62Å; N553-Q556 VanDerWaalsContact O-N 3.16Å; N553-Q556 PolarHBondContact OD1-N 3.17Å; Q556-E559 PolarHBondContact O-N 3.03Å; Q556-A560 VanDerWaalsContact O-CB 3.24Å; Q556-A560 WeakPolarHBondContact O-CB 3.16Å; Q556-A560 PolarHBondContact O-N 2.74Å
557	I	87.3	Confident	89.7	Confident	6 Å²	6	60.7 Å²	60.7	3%	0.031	32%	0.324	C	S	.	.	H	α-helix	trans	-66.9	-42.4	174.2	-62.7	179.9	0	0	0	110.5	F48 C551 N553 V554 L555 A560 I561	F48-I557 HydrophobicContact CD1-CD1 4.08Å; F48-I557 HydrophobicContact CE1-CD1 3.52Å; F48-I557 HydrophobicContact CZ-CD1 4.32Å; C551-I557 HydrophobicContact CB-CG1 3.74Å; N553-I557 WeakPolarHBondContact O-CG1 3.38Å; N553-I557 PolarHBondContact O-N 2.8Å; N553-I557 VanDerWaalsContact O-N 3.11Å; V554-I557 PolarHBondContact O-N 3.03Å; L555-I557 VanDerWaalsContact C-N 3.27Å; L555-I557 PolarHBondContact O-N 3.47Å; I557-A560 PolarHBondContact O-N 2.93Å; I557-I561 HydrophobicContact CG2-CD1 3.79Å; I557-I561 HydrophobicContact CG2-CG1 4.44Å; I557-I561 WeakPolarHBondContact O-CB 3.39Å; I557-I561 VanDerWaalsContact O-CG1 3.27Å; I557-I561 WeakPolarHBondContact O-CG1 3.32Å; I557-I561 PolarHBondContact O-N 2.83Å
558	F	90.1	Very high	89.9	Confident	37 Å²	37	60.5 Å²	60.5	16%	0.162	32%	0.322	C	S	.	.	H	α-helix	trans	-63.2	-43.7	172.4	-66.5	-35.3	0	0	0	112.3	P510 A518 V554 L555 A560 I561 V562	P510-F558 HydrophobicContact CB-CE1 3.71Å; P510-F558 HydrophobicContact CB-CZ 4.05Å; P510-F558 HydrophobicContact CG-CE1 4.33Å; P510-F558 HydrophobicContact CG-CZ 4.23Å; A518-F558 HydrophobicContact CB-CB 4.29Å; A518-F558 HydrophobicContact CB-CD1 3.85Å; A518-F558 HydrophobicContact CB-CG 4.35Å; V554-F558 HydrophobicContact CG1-CD2 4.16Å; V554-F558 HydrophobicContact CG1-CE1 4.26Å; V554-F558 HydrophobicContact CG1-CE2 3.67Å; V554-F558 HydrophobicContact CG1-CZ 3.72Å; V554-F558 WeakPolarHBondContact O-CD2 3.48Å; V554-F558 WeakPolarHBondContact O-CG 3.26Å; V554-F558 PolarHBondContact O-N 3.31Å; L555-F558 PolarHBondContact O-N 2.77Å; F558-A560 VanDerWaalsContact C-N 3.32Å; F558-A560 PolarHBondContact O-N 3.28Å; F558-I561 PolarHBondContact O-N 2.68Å; F558-V562 WeakPolarHBondContact O-CB 3.49Å; F558-V562 VanDerWaalsContact O-CG2 3.27Å; F558-V562 WeakPolarHBondContact O-CG2 3.46Å; F558-V562 PolarHBondContact O-N 2.9Å
559	E	90.8	Very high	89.9	Confident	131 Å²	131	61.6 Å²	61.6	61%	0.612	33%	0.329	S	S	*	.	H	α-helix	trans	-57.7	-43.9	172.9	-72.2	171.4	-176.8	0	0	111.5	L555 Q556 V562 K563	L555-E559 WeakPolarHBondContact O-CG 3.4Å; L555-E559 PolarHBondContact O-N 2.62Å; Q556-E559 PolarHBondContact O-N 3.03Å; E559-V562 PolarHBondContact O-N 3.28Å; E559-K563 WeakPolarHBondContact O-CB 3.49Å; E559-K563 PolarHBondContact O-N 3.43Å
560	A	91	Very high	89.8	Confident	22 Å²	22	65.4 Å²	65.4	18%	0.182	37%	0.371	C	S	.	.	H	α-helix	trans	-67	-37.5	178	0	0	0	0	0	113	F549 Q556 I557 F558 G564	F549-A560 HydrophobicContact CB-CB 4.33Å; F549-A560 HydrophobicContact CD1-CB 4.13Å; F549-A560 WeakPolarHBondContact CD1-O 3.26Å; F549-A560 WeakPolarHBondContact CE1-O 3.43Å; Q556-A560 VanDerWaalsContact O-CB 3.24Å; Q556-A560 WeakPolarHBondContact O-CB 3.16Å; Q556-A560 PolarHBondContact O-N 2.74Å; I557-A560 PolarHBondContact O-N 2.93Å; F558-A560 VanDerWaalsContact C-N 3.32Å; F558-A560 PolarHBondContact O-N 3.28Å; A560-G564 VanDerWaalsContact O-CA 3.28Å; A560-G564 WeakPolarHBondContact O-CA 3.36Å; A560-G564 PolarHBondContact O-N 2.75Å
561	I	92.5	Very high	90	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-68.6	-44.7	174.2	-73.9	166.5	0	0	0	111	P510 Q513 P515 A518 F549 I557 F558 G564	P510-I561 WeakPolarHBondContact O-CD1 3.09Å; Q513-I561 WeakPolarHBondContact O-CG2 3.47Å; P515-I561 HydrophobicContact CB-CG2 4.11Å; A518-I561 HydrophobicContact CB-CB 4.4Å; A518-I561 HydrophobicContact CB-CG2 3.85Å; F549-I561 HydrophobicContact CB-CG1 4.12Å; F549-I561 HydrophobicContact CD2-CD1 4.44Å; F549-I561 HydrophobicContact CD2-CG1 3.49Å; F549-I561 VanDerWaalsContact CD2-CG1 3.49Å; F549-I561 HydrophobicContact CE2-CG1 4.01Å; F549-I561 HydrophobicContact CG-CG1 3.79Å; I557-I561 HydrophobicContact CG2-CD1 3.79Å; I557-I561 HydrophobicContact CG2-CG1 4.44Å; I557-I561 WeakPolarHBondContact O-CB 3.39Å; I557-I561 VanDerWaalsContact O-CG1 3.27Å; I557-I561 WeakPolarHBondContact O-CG1 3.32Å; I557-I561 PolarHBondContact O-N 2.83Å; F558-I561 PolarHBondContact O-N 2.68Å; I561-G564 WeakPolarHBondContact O-CA 3.45Å; I561-G564 PolarHBondContact O-N 2.83Å
562	V	92.5	Very high	90.3	Very high	52 Å²	52	65.7 Å²	65.7	32%	0.315	36%	0.356	S	S	.	.	H	α-helix	trans	-68.7	-39.7	179.7	171.2	0	0	0	0	111.5	A518 K519 F558 E559 G564	A518-V562 HydrophobicContact CB-CG2 3.73Å; K519-V562 HydrophobicContact CG-CG1 3.93Å; K519-V562 HydrophobicContact CG-CG2 3.8Å; F558-V562 WeakPolarHBondContact O-CB 3.49Å; F558-V562 VanDerWaalsContact O-CG2 3.27Å; F558-V562 WeakPolarHBondContact O-CG2 3.46Å; F558-V562 PolarHBondContact O-N 2.9Å; E559-V562 PolarHBondContact O-N 3.28Å; V562-G564 VanDerWaalsContact C-N 3.28Å
563	K	93.1	Very high	90.8	Very high	132 Å²	132	59.3 Å²	59.3	57%	0.574	33%	0.33	S	S	*	.	H	α-helix	trans	-62.8	-39.5	166.3	-172.6	172.7	-172.3	-70.7	0	110.2	E559 D565 K586	E559-K563 WeakPolarHBondContact O-CB 3.49Å; E559-K563 PolarHBondContact O-N 3.43Å; K563-D565 IonicContact NZ-OD2 3.72Å; K563-D565 PolarHBondContact NZ-OD2 3.1Å; K563-D565 PolarHBondContact O-N 2.75Å; K563-K586 VanDerWaalsContact O-CE 3.22Å; K563-K586 WeakPolarHBondContact O-CE 3.45Å; K563-K586 PolarHBondContact O-NZ 3.44Å
564	G	91.6	Very high	91.2	Very high	7 Å²	7	61.4 Å²	61.4	7%	0.072	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	59	38.6	171.5	0	0	0	0	0	114.3	A560 I561 V562 K586	A560-G564 VanDerWaalsContact O-CA 3.28Å; A560-G564 WeakPolarHBondContact O-CA 3.36Å; A560-G564 PolarHBondContact O-N 2.75Å; I561-G564 WeakPolarHBondContact O-CA 3.45Å; I561-G564 PolarHBondContact O-N 2.83Å; V562-G564 VanDerWaalsContact C-N 3.28Å; G564-K586 VanDerWaalsContact C-CE 3.41Å; G564-K586 WeakPolarHBondContact O-CE 3.21Å; G564-K586 PolarHBondContact O-NZ 2.81Å
565	D	90.6	Very high	91.7	Very high	92 Å²	92	61.3 Å²	61.3	49%	0.492	34%	0.343	S	S	.	.			trans	-104.6	113.7	178	-63.7	-17.6	0	0	0	109.2	K563 K586	K563-D565 IonicContact NZ-OD2 3.72Å; K563-D565 PolarHBondContact NZ-OD2 3.1Å; K563-D565 PolarHBondContact O-N 2.75Å; D565-K586 IonicContact OD1-NZ 3.42Å; D565-K586 PolarHBondContact OD1-NZ 2.83Å
566	Y	93.8	Very high	92.1	Very high	38 Å²	38	55.8 Å²	55.8	15%	0.149	31%	0.314	C	S	.	.			trans	-141.4	154.6	-177.6	67.5	-73.8	0	0	0	110	Y540 P548 F549 I568 I580 R581 M584	Y540-Y566 HydrophobicContact CD2-CD2 4.4Å; Y540-Y566 HydrophobicContact CD2-CE2 4.44Å; Y540-Y566 HydrophobicContact CE2-CD2 4.16Å; P548-Y566 HydrophobicContact CB-CD2 3.97Å; P548-Y566 HydrophobicContact CB-CG 4.19Å; P548-Y566 WeakPolarHBondContact O-CB 3.49Å; F549-Y566 HydrophobicContact CE1-CD1 4.16Å; F549-Y566 HydrophobicContact CE1-CG 4.33Å; F549-Y566 AromaticContact CZ-CD1 3.77Å; F549-Y566 HydrophobicContact CZ-CD1 3.77Å; F549-Y566 HydrophobicContact CZ-CG 4.14Å; Y566-I568 HydrophobicContact CD2-CG1 4.23Å; Y566-I568 HydrophobicContact CE2-CD1 4.01Å; Y566-I568 HydrophobicContact CE2-CG1 3.82Å; Y566-I580 HydrophobicContact CE2-CG2 4.16Å; Y566-R581 WeakPolarHBondContact OH-CA 3.32Å; Y566-M584 HydrophobicContact CD1-CE 4.22Å; Y566-M584 HydrophobicContact CD2-CE 4.19Å; Y566-M584 HydrophobicContact CE1-CB 4.48Å; Y566-M584 HydrophobicContact CE1-CE 3.95Å; Y566-M584 HydrophobicContact CE2-CE 3.89Å; Y566-M584 HydrophobicContact CE2-SD 4.03Å; Y566-M584 HydrophobicContact CG-CE 4.36Å
567	T	94.2	Very high	92.5	Very high	114 Å²	114	53.6 Å²	53.6	70%	0.699	31%	0.306	S	S	*	.			trans	-107.5	136.2	179.7	47.6	0	0	0	0	110.2	Y540	Y540-T567 WeakPolarHBondContact CE2-O 3.29Å; Y540-T567 PolarHBondContact OH-O 3.05Å; Y540-T567 VanDerWaalsContact OH-O 3.08Å
568	I	95	Very high	93	Very high	18 Å²	18	56.2 Å²	56.2	9%	0.092	32%	0.321	C	S	.	.			trans	-99.7	121	170.1	-57	-177.5	0	0	0	106.8	Y540 Y566 V572 S577 I580 R581	Y540-I568 HydrophobicContact CD2-CG1 4.24Å; Y540-I568 HydrophobicContact CE2-CG1 4.11Å; Y566-I568 HydrophobicContact CD2-CG1 4.23Å; Y566-I568 HydrophobicContact CE2-CD1 4.01Å; Y566-I568 HydrophobicContact CE2-CG1 3.82Å; I568-V572 HydrophobicContact CG2-CB 3.88Å; I568-V572 HydrophobicContact CG2-CG1 4Å; I568-V572 HydrophobicContact CG2-CG2 4.16Å; I568-S577 WeakPolarHBondContact CD1-O 3.45Å; I568-I580 HydrophobicContact CD1-CB 3.89Å; I568-I580 HydrophobicContact CD1-CD1 4.41Å; I568-I580 HydrophobicContact CD1-CG2 3.73Å; I568-R581 HydrophobicContact CD1-CG 3.98Å
569	P	93.3	Very high	93.3	Very high	36 Å²	36	54.5 Å²	54.5	23%	0.234	31%	0.313	C	S	.	.			trans	-60.9	142.1	-178.8	-26.5	36.5	0	0	0	113.1	T544 Y571 V572	T544-P569 HydrophobicContact CG2-CG 4.07Å; P569-Y571 HydrophobicContact CB-CD1 3.73Å; P569-Y571 HydrophobicContact CB-CD2 4.45Å; P569-Y571 HydrophobicContact CB-CE1 3.28Å; P569-Y571 HydrophobicContact CB-CE2 4.06Å; P569-Y571 HydrophobicContact CB-CG 4.29Å; P569-Y571 VanDerWaalsContact CB-CZ 3.45Å; P569-Y571 HydrophobicContact CG-CE1 4Å; P569-Y571 PolarHBondContact O-N 3.23Å; P569-V572 WeakPolarHBondContact O-CB 3.43Å; P569-V572 PolarHBondContact O-N 3.07Å
570	G	89.9	Confident	93.7	Very high	89 Å²	89	48.2 Å²	48.2	92%	0.918	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	2.2	-175.2	0	0	0	0	0	116.6
571	Y	89.2	Confident	94	Very high	115 Å²	115	52.6 Å²	52.6	45%	0.451	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-15	168.6	58.5	-110.5	0	0	0	113	R394 T544 P569	R394-Y571 PolarHBondContact NE-OH 3.21Å; T544-Y571 PolarHBondContact O-OH 3.49Å; P569-Y571 HydrophobicContact CB-CD1 3.73Å; P569-Y571 HydrophobicContact CB-CD2 4.45Å; P569-Y571 HydrophobicContact CB-CE1 3.28Å; P569-Y571 HydrophobicContact CB-CE2 4.06Å; P569-Y571 HydrophobicContact CB-CG 4.29Å; P569-Y571 VanDerWaalsContact CB-CZ 3.45Å; P569-Y571 HydrophobicContact CG-CE1 4Å; P569-Y571 PolarHBondContact O-N 3.23Å
572	V	92.4	Very high	94.3	Very high	11 Å²	11	55.8 Å²	55.8	7%	0.067	31%	0.31	C	S	.	.	S	Bend	trans	-79.1	133	172.7	177.9	0	0	0	0	108.2	L543 T544 I568 P569 A576	L543-V572 HydrophobicContact CB-CG2 4.28Å; L543-V572 HydrophobicContact CD1-CG1 4.1Å; T544-V572 HydrophobicContact CG2-CG2 4.09Å; I568-V572 HydrophobicContact CG2-CB 3.88Å; I568-V572 HydrophobicContact CG2-CG1 4Å; I568-V572 HydrophobicContact CG2-CG2 4.16Å; P569-V572 WeakPolarHBondContact O-CB 3.43Å; P569-V572 PolarHBondContact O-N 3.07Å; V572-A576 HydrophobicContact CG1-CB 3.64Å
573	S	93.2	Very high	94.5	Very high	34 Å²	34	53.3 Å²	53.3	24%	0.238	30%	0.295	C	S	.	.			trans	-57.4	152.6	-176.9	76.2	0	0	0	0	113.1	E397 N575 A576 S577	E397-S573 WeakPolarHBondContact OE1-CB 3.32Å; E397-S573 PolarHBondContact OE1-OG 2.87Å; E397-S573 WeakPolarHBondContact OE2-CB 3.37Å; E397-S573 PolarHBondContact OE2-N 3.01Å; S573-N575 PolarHBondContact O-N 3.25Å; S573-A576 PolarHBondContact O-N 2.86Å; S573-A576 WeakPolarHBondContact OG-CB 3.45Å; S573-A576 PolarHBondContact OG-N 3.26Å; S573-S577 VanDerWaalsContact O-CB 3.29Å; S573-S577 WeakPolarHBondContact O-CB 3.41Å; S573-S577 PolarHBondContact O-N 2.9Å
574	T	94.8	Very high	94.8	Very high	114 Å²	114	47.3 Å²	47.3	70%	0.699	27%	0.269	S	S	*	.	H	α-helix	trans	-56.6	-39.1	177.2	47.2	0	0	0	0	111.8	S577 D578	T574-S577 PolarHBondContact O-N 3.49Å; T574-D578 WeakPolarHBondContact O-CB 3.37Å; T574-D578 PolarHBondContact O-N 3.03Å
575	N	94.7	Very high	95	Very high	56 Å²	56	50.4 Å²	50.4	30%	0.299	28%	0.281	S	S	.	.	H	α-helix	trans	-68.7	-41.7	179.9	-65.1	-7.6	0	0	0	111.5	S573 L579 W602	S573-N575 PolarHBondContact O-N 3.25Å; N575-L579 PolarHBondContact O-N 3.42Å; N575-L579 VanDerWaalsContact O-N 3.09Å; N575-W602 HydrophobicContact CB-CB 3.85Å; N575-W602 HydrophobicContact CB-CG 4.3Å
576	A	95.8	Very high	95.2	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.3	-44.5	173	0	0	0	0	0	111.9	L543 V572 S573 D578 L579 I580 W602	L543-A576 HydrophobicContact CD1-CB 3.96Å; V572-A576 HydrophobicContact CG1-CB 3.64Å; S573-A576 PolarHBondContact O-N 2.86Å; S573-A576 WeakPolarHBondContact OG-CB 3.45Å; S573-A576 PolarHBondContact OG-N 3.26Å; A576-D578 VanDerWaalsContact C-N 3.34Å; A576-D578 PolarHBondContact O-N 2.9Å; A576-L579 PolarHBondContact O-N 3.07Å; A576-I580 VanDerWaalsContact O-CG1 3.26Å; A576-I580 WeakPolarHBondContact O-CG1 3.41Å; A576-I580 PolarHBondContact O-N 3.31Å; A576-W602 HydrophobicContact CB-CD2 4.19Å; A576-W602 HydrophobicContact CB-CG 4.15Å; A576-W602 HydrophobicContact CB-CZ2 4.35Å
577	S	96.8	Very high	95.1	Very high	21 Å²	21	50.7 Å²	50.7	15%	0.147	28%	0.281	C	S	.	.	H	α-helix	trans	-59.7	-42	179.1	-171.7	0	0	0	0	112	I568 S573 T574 R581	I568-S577 WeakPolarHBondContact CD1-O 3.45Å; S573-S577 VanDerWaalsContact O-CB 3.29Å; S573-S577 WeakPolarHBondContact O-CB 3.41Å; S573-S577 PolarHBondContact O-N 2.9Å; T574-S577 PolarHBondContact O-N 3.49Å; S577-R581 VanDerWaalsContact O-CD 3.31Å; S577-R581 WeakPolarHBondContact O-CD 3.49Å; S577-R581 WeakPolarHBondContact O-CG 3.31Å; S577-R581 PolarHBondContact O-N 3.21Å; S577-R581 VanDerWaalsContact O-N 3.15Å; S577-R581 PolarHBondContact OG-NE 3.1Å
578	D	96.9	Very high	95.1	Very high	62 Å²	62	46.7 Å²	46.7	33%	0.332	26%	0.257	S	S	.	.	H	α-helix	trans	-66.5	-47.3	174.6	173.8	57.6	0	0	0	112.6	T574 A576 I580 R581 K582	T574-D578 WeakPolarHBondContact O-CB 3.37Å; T574-D578 PolarHBondContact O-N 3.03Å; A576-D578 VanDerWaalsContact C-N 3.34Å; A576-D578 PolarHBondContact O-N 2.9Å; D578-I580 PolarHBondContact O-N 3.43Å; D578-R581 PolarHBondContact O-N 2.83Å; D578-K582 VanDerWaalsContact CG-NZ 3.35Å; D578-K582 WeakPolarHBondContact O-CG 3.31Å; D578-K582 PolarHBondContact O-N 3.07Å; D578-K582 WeakPolarHBondContact OD1-CE 3.37Å; D578-K582 IonicContact OD1-NZ 3.49Å; D578-K582 PolarHBondContact OD1-NZ 3.12Å; D578-K582 WeakPolarHBondContact OD2-CE 3.46Å; D578-K582 IonicContact OD2-NZ 3.29Å; D578-K582 PolarHBondContact OD2-NZ 3.04Å
579	L	97.8	Very high	95.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-56.1	-49.3	174.7	172.7	63.3	0	0	0	111.8	F404 L539 N575 A576 R581 K582 M583 L592 I597 Q600 W602	F404-L579 HydrophobicContact CE1-CD2 3.95Å; F404-L579 HydrophobicContact CZ-CD2 4.37Å; L539-L579 HydrophobicContact CD2-CD2 3.83Å; L539-L579 HydrophobicContact CD2-CG 4.31Å; N575-L579 PolarHBondContact O-N 3.42Å; N575-L579 VanDerWaalsContact O-N 3.09Å; A576-L579 PolarHBondContact O-N 3.07Å; L579-R581 VanDerWaalsContact C-N 3.3Å; L579-R581 PolarHBondContact O-N 3.31Å; L579-K582 PolarHBondContact O-N 3.4Å; L579-M583 HydrophobicContact CD1-CG 3.94Å; L579-M583 HydrophobicContact CD1-SD 3.69Å; L579-M583 HydrophobicContact CD2-SD 4.46Å; L579-M583 HydrophobicContact CG-CG 4.45Å; L579-M583 HydrophobicContact CG-SD 3.88Å; L579-M583 WeakPolarHBondContact O-CG 3.33Å; L579-M583 PolarHBondContact O-N 3.03Å; L579-L592 HydrophobicContact CD1-CD1 4.15Å; L579-I597 HydrophobicContact CD1-CG1 4.32Å; L579-I597 HydrophobicContact CD1-CG2 4.18Å; L579-Q600 HydrophobicContact CD1-CB 4.12Å; L579-Q600 HydrophobicContact CD1-CG 3.77Å; L579-W602 HydrophobicContact CD2-CB 4.35Å; L579-W602 HydrophobicContact CD2-CD2 4.24Å; L579-W602 HydrophobicContact CD2-CE3 3.42Å; L579-W602 VanDerWaalsContact CD2-CE3 3.42Å; L579-W602 HydrophobicContact CD2-CZ3 4.07Å
580	I	98.1	Very high	95.2	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-58	-42.8	178.5	-68.3	164.2	0	0	0	110.7	L539 Y540 L543 Y566 I568 A576 D578 K582 M583 M584	L539-I580 HydrophobicContact CD2-CG1 3.86Å; L539-I580 HydrophobicContact CG-CD1 4.26Å; L539-I580 HydrophobicContact CG-CG1 4Å; Y540-I580 HydrophobicContact CD2-CG2 4.38Å; L543-I580 HydrophobicContact CD1-CD1 4.14Å; Y566-I580 HydrophobicContact CE2-CG2 4.16Å; I568-I580 HydrophobicContact CD1-CB 3.89Å; I568-I580 HydrophobicContact CD1-CD1 4.41Å; I568-I580 HydrophobicContact CD1-CG2 3.73Å; A576-I580 VanDerWaalsContact O-CG1 3.26Å; A576-I580 WeakPolarHBondContact O-CG1 3.41Å; A576-I580 PolarHBondContact O-N 3.31Å; D578-I580 PolarHBondContact O-N 3.43Å; I580-K582 PolarHBondContact O-N 3.01Å; I580-M583 PolarHBondContact O-N 3.45Å; I580-M584 HydrophobicContact CG2-CG 4.35Å; I580-M584 HydrophobicContact CG2-SD 3.65Å; I580-M584 WeakPolarHBondContact O-CB 3.26Å; I580-M584 PolarHBondContact O-N 3.16Å
581	R	97.9	Very high	95.6	Very high	113 Å²	113	56.2 Å²	56.2	43%	0.426	27%	0.269	S	S	.	.	H	α-helix	trans	-64.9	-37.8	178.4	-71.2	164.9	-165.9	-73.3	2.2	113	Y566 I568 S577 D578 L579 Q585	Y566-R581 WeakPolarHBondContact OH-CA 3.32Å; I568-R581 HydrophobicContact CD1-CG 3.98Å; S577-R581 VanDerWaalsContact O-CD 3.31Å; S577-R581 WeakPolarHBondContact O-CD 3.49Å; S577-R581 WeakPolarHBondContact O-CG 3.31Å; S577-R581 PolarHBondContact O-N 3.21Å; S577-R581 VanDerWaalsContact O-N 3.15Å; S577-R581 PolarHBondContact OG-NE 3.1Å; D578-R581 PolarHBondContact O-N 2.83Å; L579-R581 VanDerWaalsContact C-N 3.3Å; L579-R581 PolarHBondContact O-N 3.31Å; R581-Q585 PolarHBondContact O-N 2.89Å
582	K	97.9	Very high	96	Very high	68 Å²	68	51.6 Å²	51.6	30%	0.296	25%	0.252	S	S	.	.	H	α-helix	trans	-72.7	-31.2	176.8	-68.5	167	167.9	168.7	0	112.5	D578 L579 I580 L592	D578-K582 VanDerWaalsContact CG-NZ 3.35Å; D578-K582 WeakPolarHBondContact O-CG 3.31Å; D578-K582 PolarHBondContact O-N 3.07Å; D578-K582 WeakPolarHBondContact OD1-CE 3.37Å; D578-K582 IonicContact OD1-NZ 3.49Å; D578-K582 PolarHBondContact OD1-NZ 3.12Å; D578-K582 WeakPolarHBondContact OD2-CE 3.46Å; D578-K582 IonicContact OD2-NZ 3.29Å; D578-K582 PolarHBondContact OD2-NZ 3.04Å; L579-K582 PolarHBondContact O-N 3.4Å; I580-K582 PolarHBondContact O-N 3.01Å; K582-L592 HydrophobicContact CB-CD1 3.67Å; K582-L592 HydrophobicContact CB-CD2 4.02Å; K582-L592 HydrophobicContact CB-CG 3.71Å; K582-L592 HydrophobicContact CD-CD1 4.48Å; K582-L592 PolarHBondContact O-N 3.09Å
583	M	98.3	Very high	96.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-80.1	-37.6	174.8	-69.5	-179.3	68.6	0	0	113.8	F404 V532 A535 L579 I580 Q585 R591 L592 I597	F404-M583 HydrophobicContact CE2-CE 3.86Å; F404-M583 HydrophobicContact CE2-SD 4.14Å; F404-M583 HydrophobicContact CZ-CE 3.63Å; F404-M583 HydrophobicContact CZ-SD 3.54Å; F404-M583 VanDerWaalsContact CZ-SD 3.54Å; V532-M583 HydrophobicContact CG1-CB 4.28Å; V532-M583 HydrophobicContact CG1-CE 4.29Å; V532-M583 HydrophobicContact CG1-CG 4.28Å; V532-M583 VanDerWaalsContact O-CE 3.25Å; V532-M583 WeakPolarHBondContact O-CE 3.48Å; A535-M583 HydrophobicContact CB-CE 3.77Å; L579-M583 HydrophobicContact CD1-CG 3.94Å; L579-M583 HydrophobicContact CD1-SD 3.69Å; L579-M583 HydrophobicContact CD2-SD 4.46Å; L579-M583 HydrophobicContact CG-CG 4.45Å; L579-M583 HydrophobicContact CG-SD 3.88Å; L579-M583 WeakPolarHBondContact O-CG 3.33Å; L579-M583 PolarHBondContact O-N 3.03Å; I580-M583 PolarHBondContact O-N 3.45Å; M583-Q585 PolarHBondContact O-N 2.92Å; M583-R591 WeakPolarHBondContact O-CD 3.36Å; M583-R591 WeakPolarHBondContact O-CG 3.48Å; M583-L592 HydrophobicContact CG-CD1 4.4Å; M583-I597 HydrophobicContact CE-CD1 3.75Å; M583-I597 HydrophobicContact CG-CD1 3.93Å; M583-I597 HydrophobicContact CG-CG1 4.07Å; M583-I597 HydrophobicContact SD-CD1 3.95Å; M583-I597 HydrophobicContact SD-CG1 4.21Å
584	M	97.7	Very high	96.3	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.03	26%	0.255	C	S	.	.	S	Bend	trans	-88.9	21.6	178.1	-67.7	178.7	55.8	0	0	113.2	Y533 V537 P548 F549 Y566 I580 K586	Y533-M584 HydrophobicContact CD2-CB 4.26Å; Y533-M584 HydrophobicContact CE2-CB 3.96Å; Y533-M584 HydrophobicContact CE2-CG 4.35Å; Y533-M584 WeakPolarHBondContact CE2-O 3.46Å; V537-M584 HydrophobicContact CG2-CE 3.82Å; V537-M584 HydrophobicContact CG2-CG 4.22Å; V537-M584 HydrophobicContact CG2-SD 3.9Å; P548-M584 HydrophobicContact CB-CE 3.94Å; P548-M584 HydrophobicContact CG-CE 3.72Å; P548-M584 HydrophobicContact CG-SD 4.5Å; F549-M584 HydrophobicContact CE2-CE 3.76Å; F549-M584 HydrophobicContact CZ-CE 4.17Å; Y566-M584 HydrophobicContact CD1-CE 4.22Å; Y566-M584 HydrophobicContact CD2-CE 4.19Å; Y566-M584 HydrophobicContact CE1-CB 4.48Å; Y566-M584 HydrophobicContact CE1-CE 3.95Å; Y566-M584 HydrophobicContact CE2-CE 3.89Å; Y566-M584 HydrophobicContact CE2-SD 4.03Å; Y566-M584 HydrophobicContact CG-CE 4.36Å; I580-M584 HydrophobicContact CG2-CG 4.35Å; I580-M584 HydrophobicContact CG2-SD 3.65Å; I580-M584 WeakPolarHBondContact O-CB 3.26Å; I580-M584 PolarHBondContact O-N 3.16Å; M584-K586 PolarHBondContact O-N 3.29Å
585	Q	96.3	Very high	96.2	Very high	71 Å²	71	52.3 Å²	52.3	33%	0.332	25%	0.25	S	C	.	.			trans	-61.8	134.5	-178.6	-178.4	57.7	-84.1	0	0	111.7	R581 M583 D587 K590 R591	R581-Q585 PolarHBondContact O-N 2.89Å; M583-Q585 PolarHBondContact O-N 2.92Å; Q585-D587 VanDerWaalsContact C-N 3.26Å; Q585-D587 PolarHBondContact O-N 3.33Å; Q585-K590 HydrophobicContact CG-CB 3.68Å; Q585-R591 HydrophobicContact CB-CB 4.02Å; Q585-R591 HydrophobicContact CB-CG 4.34Å; Q585-R591 PolarHBondContact O-NE 3.16Å; Q585-R591 PolarHBondContact O-NH2 2.97Å
586	K	94.4	Very high	96.3	Very high	84 Å²	84	53.4 Å²	53.4	37%	0.365	25%	0.253	S	S	.	.	S	Bend	trans	-66.3	-24.9	-173.3	-65.5	174.3	-173.6	-179.7	0	113.8	P515 K563 G564 D565 M584	P515-K586 HydrophobicContact CG-CB 4.48Å; K563-K586 VanDerWaalsContact O-CE 3.22Å; K563-K586 WeakPolarHBondContact O-CE 3.45Å; K563-K586 PolarHBondContact O-NZ 3.44Å; G564-K586 VanDerWaalsContact C-CE 3.41Å; G564-K586 WeakPolarHBondContact O-CE 3.21Å; G564-K586 PolarHBondContact O-NZ 2.81Å; D565-K586 IonicContact OD1-NZ 3.42Å; D565-K586 PolarHBondContact OD1-NZ 2.83Å; M584-K586 PolarHBondContact O-N 3.29Å
587	D	93.2	Very high	96.3	Very high	53 Å²	53	53.4 Å²	53.4	28%	0.283	25%	0.253	S	S	.	.	S	Bend	trans	-105.8	113.9	178.2	175	-1.5	0	0	0	109.1	Q585 K589 K590 R591	Q585-D587 VanDerWaalsContact C-N 3.26Å; Q585-D587 PolarHBondContact O-N 3.33Å; D587-K589 PolarHBondContact O-N 2.93Å; D587-K589 VanDerWaalsContact O-N 3.12Å; D587-K589 WeakPolarHBondContact OD1-CB 3.31Å; D587-K589 PolarHBondContact OD1-N 3.39Å; D587-K590 HydrophobicContact CB-CB 4.23Å; D587-K590 HydrophobicContact CB-CD 4.11Å; D587-K590 HydrophobicContact CB-CG 4.29Å; D587-K590 PolarHBondContact O-N 3.01Å; D587-K590 VanDerWaalsContact OD2-CD 3.28Å; D587-K590 WeakPolarHBondContact OD2-CD 3.5Å; D587-K590 WeakPolarHBondContact OD2-CE 3.4Å; D587-K590 WeakPolarHBondContact OD2-CG 3.15Å; D587-K590 IonicContact OD2-NZ 3.62Å; D587-R591 PolarHBondContact O-N 3.4Å
588	P	93.9	Very high	96.1	Very high	30 Å²	30	53.6 Å²	53.6	20%	0.195	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-28.7	179.8	-28.1	36.7	0	0	0	114.1	E516 K529 K590 R591	E516-P588 HydrophobicContact CB-CG 4.32Å; E516-P588 VanDerWaalsContact CD-CG 3.43Å; E516-P588 HydrophobicContact CG-CG 3.94Å; E516-P588 WeakPolarHBondContact OE1-CG 3.35Å; K529-P588 HydrophobicContact CB-CB 4.17Å; K529-P588 WeakPolarHBondContact CD-O 3.33Å; K529-P588 WeakPolarHBondContact CE-O 3.41Å; K529-P588 HydrophobicContact CG-CB 4.36Å; P588-K590 VanDerWaalsContact C-N 3.3Å; P588-K590 PolarHBondContact O-N 3.04Å; P588-R591 PolarHBondContact O-N 3.47Å
589	K	93.9	Very high	95.9	Very high	194 Å²	194	56.3 Å²	56.3	84%	0.843	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-26.3	178.3	-59.2	-175.1	177.5	-174.3	0	112.6	D587	D587-K589 PolarHBondContact O-N 2.93Å; D587-K589 VanDerWaalsContact O-N 3.12Å; D587-K589 WeakPolarHBondContact OD1-CB 3.31Å; D587-K589 PolarHBondContact OD1-N 3.39Å
590	K	96	Very high	95.8	Very high	147 Å²	147	57.6 Å²	57.6	64%	0.639	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-11.4	178	-64.2	174.6	-171.9	168.1	0	113.2	Q585 D587 P588	Q585-K590 HydrophobicContact CG-CB 3.68Å; D587-K590 HydrophobicContact CB-CB 4.23Å; D587-K590 HydrophobicContact CB-CD 4.11Å; D587-K590 HydrophobicContact CB-CG 4.29Å; D587-K590 PolarHBondContact O-N 3.01Å; D587-K590 VanDerWaalsContact OD2-CD 3.28Å; D587-K590 WeakPolarHBondContact OD2-CD 3.5Å; D587-K590 WeakPolarHBondContact OD2-CE 3.4Å; D587-K590 WeakPolarHBondContact OD2-CG 3.15Å; D587-K590 IonicContact OD2-NZ 3.62Å; P588-K590 VanDerWaalsContact C-N 3.3Å; P588-K590 PolarHBondContact O-N 3.04Å
591	R	97.6	Very high	95.6	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.008	29%	0.286	C	S	.	.	S	Bend	trans	-70.1	145	173	-166.8	-179.8	-57.8	150.3	7.1	109.8	E516 K529 V532 M583 Q585 D587 P588	E516-R591 IonicContact OE1-CZ 2.69Å; E516-R591 IonicContact OE1-NH1 2.8Å; E516-R591 PolarHBondContact OE1-NH1 2.68Å; E516-R591 IonicContact OE1-NH2 3.23Å; E516-R591 PolarHBondContact OE1-NH2 2.66Å; E516-R591 IonicContact OE2-CZ 3.37Å; E516-R591 IonicContact OE2-NH1 3.41Å; E516-R591 IonicContact OE2-NH2 2.44Å; E516-R591 PolarHBondContact OE2-NH2 2.88Å; K529-R591 HydrophobicContact CD-CB 4.26Å; K529-R591 PolarHBondContact NZ-O 3.15Å; K529-R591 VanDerWaalsContact O-CD 3.27Å; K529-R591 WeakPolarHBondContact O-CD 3.34Å; K529-R591 PolarHBondContact O-NH1 2.66Å; V532-R591 HydrophobicContact CG1-CG 3.97Å; M583-R591 WeakPolarHBondContact O-CD 3.36Å; M583-R591 WeakPolarHBondContact O-CG 3.48Å; Q585-R591 HydrophobicContact CB-CB 4.02Å; Q585-R591 HydrophobicContact CB-CG 4.34Å; Q585-R591 PolarHBondContact O-NE 3.16Å; Q585-R591 PolarHBondContact O-NH2 2.97Å; D587-R591 PolarHBondContact O-N 3.4Å; P588-R591 PolarHBondContact O-N 3.47Å
592	L	97.6	Very high	95.4	Very high	18 Å²	18	55.6 Å²	55.6	9%	0.094	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-61.3	157.6	-179.6	-58.2	-175.8	0	0	0	112.9	K529 L579 K582 M583 Q596 I597 Q600	K529-L592 WeakPolarHBondContact CD-O 3.42Å; K529-L592 PolarHBondContact NZ-O 3.31Å; K529-L592 VanDerWaalsContact NZ-O 3.16Å; L579-L592 HydrophobicContact CD1-CD1 4.15Å; K582-L592 HydrophobicContact CB-CD1 3.67Å; K582-L592 HydrophobicContact CB-CD2 4.02Å; K582-L592 HydrophobicContact CB-CG 3.71Å; K582-L592 HydrophobicContact CD-CD1 4.48Å; K582-L592 PolarHBondContact O-N 3.09Å; M583-L592 HydrophobicContact CG-CD1 4.4Å; L592-Q596 HydrophobicContact CB-CB 4.13Å; L592-Q596 HydrophobicContact CD2-CB 4.05Å; L592-I597 HydrophobicContact CB-CD1 4.37Å; L592-I597 HydrophobicContact CB-CG1 3.84Å; L592-I597 HydrophobicContact CD1-CG1 3.71Å; L592-I597 HydrophobicContact CG-CG1 4.43Å; L592-Q600 HydrophobicContact CD1-CG 3.84Å
593	T	96.8	Very high	95.1	Very high	49 Å²	49	52.6 Å²	52.6	30%	0.301	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-89.2	166.6	156.2	63.6	0	0	0	0	110.3	K529 L595 Q596 I597	K529-T593 VanDerWaalsContact NZ-CG2 3.33Å; T593-L595 PolarHBondContact O-N 2.78Å; T593-Q596 PolarHBondContact O-N 3.07Å; T593-Q596 VanDerWaalsContact O-N 3.13Å; T593-Q596 WeakPolarHBondContact OG1-CG 3.38Å; T593-Q596 PolarHBondContact OG1-N 2.8Å; T593-I597 WeakPolarHBondContact O-CG1 3.5Å; T593-I597 PolarHBondContact O-N 3.01Å
594	L	95.3	Very high	94.6	Very high	13 Å²	13	56.3 Å²	56.3	7%	0.068	27%	0.272	C	S	.	.	H	α-helix	trans	-54.4	-41.8	170.9	-64.4	-178.8	0	0	0	111.8	I408 L411 H412 H415 V532 Q596 I597 R598	I408-L594 HydrophobicContact CD1-CD2 3.74Å; I408-L594 HydrophobicContact CG2-CD2 4.46Å; L411-L594 HydrophobicContact CB-CD1 4.06Å; L411-L594 HydrophobicContact CB-CD2 4.26Å; H412-L594 HydrophobicContact CB-CD1 4.04Å; H415-L594 HydrophobicContact CB-CD1 4.48Å; H415-L594 WeakPolarHBondContact ND1-CD1 3.23Å; V532-L594 HydrophobicContact CG2-CD2 3.85Å; V532-L594 HydrophobicContact CG2-CG 4.34Å; L594-Q596 VanDerWaalsContact C-N 3.34Å; L594-Q596 PolarHBondContact O-N 3.17Å; L594-I597 HydrophobicContact CD2-CD1 4.32Å; L594-I597 WeakPolarHBondContact O-CB 3.26Å; L594-I597 PolarHBondContact O-N 2.98Å; L594-I597 VanDerWaalsContact O-N 3.15Å; L594-R598 WeakPolarHBondContact O-CG 3.43Å; L594-R598 PolarHBondContact O-N 3.31Å; L594-R598 VanDerWaalsContact O-N 3.16Å
595	L	93.4	Very high	94	Very high	112 Å²	112	61.3 Å²	61.3	59%	0.586	30%	0.296	S	S	*	.	H	α-helix	trans	-59.7	-42.4	176.9	-178.5	61.7	0	0	0	112.4	T593 I597 R598	T593-L595 PolarHBondContact O-N 2.78Å; L595-I597 VanDerWaalsContact C-N 3.35Å; L595-R598 PolarHBondContact O-N 2.97Å
596	Q	96.3	Very high	92.9	Very high	78 Å²	78	61 Å²	61	36%	0.364	30%	0.296	S	S	.	.	H	α-helix	trans	-71.5	-27.6	177	-68.4	169.5	-35.5	0	0	112.8	L592 T593 L594 Q599 Q600	L592-Q596 HydrophobicContact CB-CB 4.13Å; L592-Q596 HydrophobicContact CD2-CB 4.05Å; T593-Q596 PolarHBondContact O-N 3.07Å; T593-Q596 VanDerWaalsContact O-N 3.13Å; T593-Q596 WeakPolarHBondContact OG1-CG 3.38Å; T593-Q596 PolarHBondContact OG1-N 2.8Å; L594-Q596 VanDerWaalsContact C-N 3.34Å; L594-Q596 PolarHBondContact O-N 3.17Å; Q596-Q599 PolarHBondContact O-N 3.39Å; Q596-Q600 PolarHBondContact O-NE2 3.01Å
597	I	96.8	Very high	91.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.2	-42.9	172.1	-71.5	161.8	0	0	0	110.4	F404 I408 V532 L579 M583 L592 T593 L594 L595 Q599 Q600 Y603	F404-I597 HydrophobicContact CE1-CG2 3.94Å; F404-I597 HydrophobicContact CZ-CG2 4.19Å; I408-I597 HydrophobicContact CD1-CD1 4.11Å; I408-I597 HydrophobicContact CD1-CG2 4.02Å; I408-I597 HydrophobicContact CG1-CG2 4.14Å; V532-I597 HydrophobicContact CG1-CD1 3.95Å; V532-I597 HydrophobicContact CG2-CD1 4.03Å; L579-I597 HydrophobicContact CD1-CG1 4.32Å; L579-I597 HydrophobicContact CD1-CG2 4.18Å; M583-I597 HydrophobicContact CE-CD1 3.75Å; M583-I597 HydrophobicContact CG-CD1 3.93Å; M583-I597 HydrophobicContact CG-CG1 4.07Å; M583-I597 HydrophobicContact SD-CD1 3.95Å; M583-I597 HydrophobicContact SD-CG1 4.21Å; L592-I597 HydrophobicContact CB-CD1 4.37Å; L592-I597 HydrophobicContact CB-CG1 3.84Å; L592-I597 HydrophobicContact CD1-CG1 3.71Å; L592-I597 HydrophobicContact CG-CG1 4.43Å; T593-I597 WeakPolarHBondContact O-CG1 3.5Å; T593-I597 PolarHBondContact O-N 3.01Å; L594-I597 HydrophobicContact CD2-CD1 4.32Å; L594-I597 WeakPolarHBondContact O-CB 3.26Å; L594-I597 PolarHBondContact O-N 2.98Å; L594-I597 VanDerWaalsContact O-N 3.15Å; L595-I597 VanDerWaalsContact C-N 3.35Å; I597-Q599 PolarHBondContact O-N 2.96Å; I597-Q600 PolarHBondContact O-N 3.04Å; I597-Y603 HydrophobicContact CG2-CD2 3.82Å; I597-Y603 HydrophobicContact CG2-CE2 4.29Å; I597-Y603 WeakPolarHBondContact O-CB 3.48Å
598	R	92.8	Very high	90.2	Very high	26 Å²	26	61 Å²	61	10%	0.098	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.5	176.6	-51.8	-167.7	87.7	128	15.5	113.8	I408 D409 A465 L594 L595 Y603 I604	I408-R598 HydrophobicContact CG2-CG 4.47Å; D409-R598 IonicContact OD1-CZ 3.92Å; D409-R598 IonicContact OD1-NH1 2.79Å; D409-R598 PolarHBondContact OD1-NH1 3.32Å; D409-R598 IonicContact OD1-NH2 2.92Å; D409-R598 PolarHBondContact OD1-NH2 3.49Å; D409-R598 IonicContact OD2-CZ 2.66Å; D409-R598 IonicContact OD2-NH2 3.15Å; D409-R598 PolarHBondContact OD2-NH2 3.2Å; A465-R598 HydrophobicContact CB-CB 4.27Å; A465-R598 VanDerWaalsContact CB-NE 3.34Å; L594-R598 WeakPolarHBondContact O-CG 3.43Å; L594-R598 PolarHBondContact O-N 3.31Å; L594-R598 VanDerWaalsContact O-N 3.16Å; L595-R598 PolarHBondContact O-N 2.97Å; R598-Y603 HydrophobicContact CB-CD1 4.22Å; R598-Y603 HydrophobicContact CB-CE1 4.02Å; R598-Y603 HydrophobicContact CG-CE1 4.11Å; R598-Y603 PolarHBondContact NE-OH 3.44Å; R598-Y603 PolarHBondContact NH2-OH 3.05Å; R598-I604 WeakPolarHBondContact O-CG1 3.33Å
599	Q	92.8	Very high	88.4	Confident	119 Å²	119	64 Å²	64	56%	0.556	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-6.2	179.6	-65.3	169.7	-19.3	0	0	113.6	Q596 I597	Q596-Q599 PolarHBondContact O-N 3.39Å; I597-Q599 PolarHBondContact O-N 2.96Å
600	Q	94.7	Very high	86.4	Confident	26 Å²	26	57.2 Å²	57.2	12%	0.121	30%	0.301	C	S	.	.	S	Bend	trans	-79	144.5	-179.1	-57.8	-48.7	-70.6	0	0	111.6	L579 L592 Q596 I597 W602 Y603 I604	L579-Q600 HydrophobicContact CD1-CB 4.12Å; L579-Q600 HydrophobicContact CD1-CG 3.77Å; L592-Q600 HydrophobicContact CD1-CG 3.84Å; Q596-Q600 PolarHBondContact O-NE2 3.01Å; I597-Q600 PolarHBondContact O-N 3.04Å; Q600-W602 PolarHBondContact O-N 3.42Å; Q600-W602 VanDerWaalsContact O-N 3.13Å; Q600-Y603 WeakPolarHBondContact O-CB 3.41Å; Q600-Y603 PolarHBondContact O-N 2.76Å; Q600-I604 PolarHBondContact O-N 2.8Å; Q600-I604 VanDerWaalsContact O-N 3.14Å
601	T	93	Very high	84.2	Confident	64 Å²	64	55 Å²	55	39%	0.393	30%	0.295	S	S	.	.	H	α-helix	trans	-51.2	-41.2	-177.6	-43.5	0	0	0	0	113.2	Y603 I604 Q605	T601-Y603 VanDerWaalsContact C-N 3.31Å; T601-Y603 PolarHBondContact O-N 2.95Å; T601-I604 PolarHBondContact O-N 3.21Å; T601-Q605 HydrophobicContact CG2-CG 4.2Å; T601-Q605 WeakPolarHBondContact O-CB 3.28Å; T601-Q605 PolarHBondContact O-N 2.87Å
602	W	93.8	Very high	82	Confident	7 Å²	7	58.5 Å²	58.5	3%	0.027	32%	0.317	C	S	.	.	H	α-helix	trans	-69.6	-22.4	178.7	-164.1	75	0	0	0	114.7	E397 H401 F404 L539 L543 N575 A576 L579 Q600	E397-W602 HydrophobicContact CG-CZ2 3.89Å; E397-W602 PolarHBondContact OE1-NE1 3.18Å; H401-W602 HydrophobicContact CB-CH2 3.63Å; H401-W602 HydrophobicContact CB-CZ2 3.64Å; H401-W602 HydrophobicContact CB-CZ3 4.33Å; H401-W602 AromaticContact CD2-CE3 3.91Å; H401-W602 AromaticContact CD2-CZ3 3.89Å; H401-W602 PolarHBondContact CD2-O 2.87Å; F404-W602 HydrophobicContact CB-CH2 4.44Å; F404-W602 HydrophobicContact CB-CZ3 4.16Å; F404-W602 HydrophobicContact CD1-CE3 4.46Å; F404-W602 AromaticContact CD1-CZ3 3.76Å; F404-W602 HydrophobicContact CD1-CZ3 3.76Å; F404-W602 HydrophobicContact CE1-CZ3 4.47Å; F404-W602 HydrophobicContact CG-CZ3 4.07Å; L539-W602 HydrophobicContact CD1-CH2 3.49Å; L539-W602 VanDerWaalsContact CD1-CH2 3.49Å; L539-W602 HydrophobicContact CD1-CZ2 4.42Å; L539-W602 HydrophobicContact CD1-CZ3 3.82Å; L539-W602 HydrophobicContact CD2-CE3 4.41Å; L539-W602 HydrophobicContact CD2-CH2 4.3Å; L539-W602 HydrophobicContact CD2-CZ3 3.86Å; L543-W602 HydrophobicContact CD1-CZ2 4.31Å; N575-W602 HydrophobicContact CB-CB 3.85Å; N575-W602 HydrophobicContact CB-CG 4.3Å; A576-W602 HydrophobicContact CB-CD2 4.19Å; A576-W602 HydrophobicContact CB-CG 4.15Å; A576-W602 HydrophobicContact CB-CZ2 4.35Å; L579-W602 HydrophobicContact CD2-CB 4.35Å; L579-W602 HydrophobicContact CD2-CD2 4.24Å; L579-W602 HydrophobicContact CD2-CE3 3.42Å; L579-W602 VanDerWaalsContact CD2-CE3 3.42Å; L579-W602 HydrophobicContact CD2-CZ3 4.07Å; Q600-W602 PolarHBondContact O-N 3.42Å; Q600-W602 VanDerWaalsContact O-N 3.13Å
603	Y	92.3	Very high	79.7	Confident	6 Å²	6	59.2 Å²	59.2	2%	0.024	32%	0.323	C	S	.	.	H	α-helix	trans	-84.7	-35.8	176.1	-171.6	-74.4	0	0	0	110.8	F404 L405 I408 A465 I597 R598 Q600 T601	F404-Y603 HydrophobicContact CD1-CD2 4.47Å; F404-Y603 HydrophobicContact CE1-CD2 4.22Å; L405-Y603 HydrophobicContact CD2-CD1 3.83Å; L405-Y603 HydrophobicContact CD2-CD2 3.57Å; L405-Y603 HydrophobicContact CD2-CE1 3.68Å; L405-Y603 HydrophobicContact CD2-CE2 3.43Å; L405-Y603 VanDerWaalsContact CD2-CE2 3.43Å; L405-Y603 HydrophobicContact CD2-CG 3.76Å; L405-Y603 VanDerWaalsContact CD2-CZ 3.48Å; I408-Y603 HydrophobicContact CB-CE2 3.88Å; I408-Y603 HydrophobicContact CG1-CE2 4.11Å; I408-Y603 HydrophobicContact CG2-CE2 3.71Å; A465-Y603 HydrophobicContact CB-CD1 4.5Å; A465-Y603 HydrophobicContact CB-CE1 3.75Å; I597-Y603 HydrophobicContact CG2-CD2 3.82Å; I597-Y603 HydrophobicContact CG2-CE2 4.29Å; I597-Y603 WeakPolarHBondContact O-CB 3.48Å; R598-Y603 HydrophobicContact CB-CD1 4.22Å; R598-Y603 HydrophobicContact CB-CE1 4.02Å; R598-Y603 HydrophobicContact CG-CE1 4.11Å; R598-Y603 PolarHBondContact NE-OH 3.44Å; R598-Y603 PolarHBondContact NH2-OH 3.05Å; Q600-Y603 WeakPolarHBondContact O-CB 3.41Å; Q600-Y603 PolarHBondContact O-N 2.76Å; T601-Y603 VanDerWaalsContact C-N 3.31Å; T601-Y603 PolarHBondContact O-N 2.95Å
604	I	88.6	Confident	77.7	Confident	77 Å²	77	62 Å²	62	40%	0.395	33%	0.332	S	S	.	.	H	α-helix	trans	-78.8	-50	-177.1	-62	171	0	0	0	110.9	R469 R598 Q600 T601	R469-I604 PolarHBondContact NH2-O 3.25Å; R598-I604 WeakPolarHBondContact O-CG1 3.33Å; Q600-I604 PolarHBondContact O-N 2.8Å; Q600-I604 VanDerWaalsContact O-N 3.14Å; T601-I604 PolarHBondContact O-N 3.21Å
605	Q	83.7	Confident	76	Confident	112 Å²	112	64 Å²	64	52%	0.523	35%	0.347	S	S	.	.	S	Bend	trans	-82.8	139.5	-176.6	-62.7	-179.2	-15.7	0	0	110.8	R469 T601	R469-Q605 PolarHBondContact NH2-O 3.14Å; T601-Q605 HydrophobicContact CG2-CG 4.2Å; T601-Q605 WeakPolarHBondContact O-CB 3.28Å; T601-Q605 PolarHBondContact O-N 2.87Å
606	D	73.2	Confident	74.2	Confident	64 Å²	64	59 Å²	59	34%	0.342	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-71.4	134	166.9	-87.2	-52.3	0	0	0	110.2	H401 R469 L477	H401-D606 IonicContact CE1-OD1 3.37Å; H401-D606 PolarHBondContact CE1-OD1 2.91Å; H401-D606 VanDerWaalsContact CE1-OD1 3.23Å; H401-D606 IonicContact ND1-OD1 2.88Å; H401-D606 IonicContact NE2-OD1 3.04Å; H401-D606 PolarHBondContact NE2-OD1 2.94Å; R469-D606 IonicContact CZ-OD1 2.69Å; R469-D606 IonicContact CZ-OD2 3.7Å; R469-D606 IonicContact NH1-OD1 3.58Å; R469-D606 PolarHBondContact NH1-OD1 2.91Å; R469-D606 IonicContact NH1-OD2 3.7Å; R469-D606 PolarHBondContact NH1-OD2 3.42Å; R469-D606 IonicContact NH2-OD1 3.39Å; R469-D606 PolarHBondContact NH2-OD1 3.09Å; R469-D606 IonicContact NH2-OD2 2.74Å; L477-D606 WeakPolarHBondContact CD1-OD1 3.19Å
607	P	70.8	Confident	72.3	Confident	12 Å²	12	58.4 Å²	58.4	8%	0.078	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-60.8	146.1	166.5	29	-34.5	0	0	0	108.5	E397 A398 H401 T609	E397-P607 HydrophobicContact CG-CB 4.24Å; A398-P607 HydrophobicContact CB-CG 4.2Å; H401-P607 HydrophobicContact CB-CG 4.02Å; H401-P607 WeakPolarHBondContact CE1-CD 3.42Å; H401-P607 VanDerWaalsContact ND1-CD 3.31Å; H401-P607 WeakPolarHBondContact ND1-CD 3.34Å; P607-T609 PolarHBondContact O-N 3Å; P607-T609 VanDerWaalsContact O-N 3.09Å
608	P	61.9	Low	70.8	Confident	125 Å²	125	64.6 Å²	64.6	81%	0.812	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-54.8	122.1	-173.8	22.1	-33.5	0	0	0	110.2
609	T	55.3	Low	69.6	Low	93 Å²	93	68.5 Å²	68.5	57%	0.571	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-59.3	142.7	179.3	37.8	0	0	0	0	109.8	L477 P607 M611	L477-T609 HydrophobicContact CD2-CG2 3.92Å; P607-T609 PolarHBondContact O-N 3Å; P607-T609 VanDerWaalsContact O-N 3.09Å; T609-M611 PolarHBondContact O-N 3.07Å
610	P	51.6	Low	68	Low	51 Å²	51	63.6 Å²	63.6	33%	0.331	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-50	126.1	165	-26.6	36.1	0	0	0	109.4	W657	P610-W657 HydrophobicContact CB-CB 3.69Å; P610-W657 HydrophobicContact CB-CG 4.08Å; P610-W657 HydrophobicContact CG-CB 3.56Å; P610-W657 HydrophobicContact CG-CG 3.73Å
611	M	49.4	Very low	66.7	Low	102 Å²	102	67.7 Å²	67.7	50%	0.502	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-54.9	133	179.9	-75.1	-170.4	-67.3	0	0	109.5	T609 I616	T609-M611 PolarHBondContact O-N 3.07Å; M611-I616 HydrophobicContact CB-CD1 4.23Å; M611-I616 HydrophobicContact CB-CG1 3.79Å; M611-I616 HydrophobicContact CE-CG1 4.15Å; M611-I616 WeakPolarHBondContact O-CD1 3.29Å
612	P	51.8	Low	65.6	Low	74 Å²	74	68.9 Å²	68.9	48%	0.481	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-50.6	146.4	171.9	-27.7	34.7	0	0	0	111	E614 S615 I616	P612-E614 PolarHBondContact O-N 2.95Å; P612-S615 WeakPolarHBondContact O-CA 3.37Å; P612-S615 WeakPolarHBondContact O-CB 3.47Å; P612-S615 PolarHBondContact O-N 3.27Å; P612-I616 PolarHBondContact O-N 2.99Å
613	V	49.8	Very low	64.3	Low	33 Å²	33	73.5 Å²	73.5	20%	0.2	38%	0.383	C	S	.	.	H	α-helix	trans	-57.6	-29.7	-178.7	-176.5	0	0	0	0	110.5	I616 K617 L658 F684	V613-I616 WeakPolarHBondContact O-CB 3.47Å; V613-I616 PolarHBondContact O-N 3.23Å; V613-K617 HydrophobicContact CG1-CD 4.24Å; V613-K617 WeakPolarHBondContact O-CB 3.33Å; V613-K617 WeakPolarHBondContact O-CD 3.43Å; V613-K617 WeakPolarHBondContact O-CG 3.37Å; V613-K617 PolarHBondContact O-N 3.44Å; V613-L658 HydrophobicContact CG2-CD2 4.14Å; V613-F684 HydrophobicContact CG1-CE2 4.35Å
614	E	54.7	Low	62.9	Low	107 Å²	107	76.4 Å²	76.4	50%	0.5	40%	0.399	S	S	.	.	H	α-helix	trans	-72	-39.6	177.6	-71.7	49.4	-111.4	0	0	111.7	P612 K617 M618	P612-E614 PolarHBondContact O-N 2.95Å; E614-K617 PolarHBondContact O-N 3.13Å; E614-K617 IonicContact OE1-NZ 2.82Å; E614-K617 PolarHBondContact OE1-NZ 3.04Å; E614-M618 WeakPolarHBondContact O-CB 3.37Å; E614-M618 PolarHBondContact O-N 3.09Å
615	S	60.3	Low	61.8	Low	55 Å²	55	77 Å²	77	39%	0.385	40%	0.402	S	S	.	.	H	α-helix	trans	-68	-37.5	172.1	-52.3	0	0	0	0	111.5	P612 M618 K619	P612-S615 WeakPolarHBondContact O-CA 3.37Å; P612-S615 WeakPolarHBondContact O-CB 3.47Å; P612-S615 PolarHBondContact O-N 3.27Å; S615-M618 PolarHBondContact O-N 3.03Å; S615-K619 WeakPolarHBondContact O-CB 3.28Å; S615-K619 PolarHBondContact O-N 3.15Å
616	I	55.7	Low	60.7	Low	9 Å²	9	77.4 Å²	77.4	5%	0.046	40%	0.404	C	S	.	.	H	α-helix	trans	-61.9	-52.8	171.3	-68.9	170.6	0	0	0	110	M611 P612 V613 M618 K619 L620 I654 C656	M611-I616 HydrophobicContact CB-CD1 4.23Å; M611-I616 HydrophobicContact CB-CG1 3.79Å; M611-I616 HydrophobicContact CE-CG1 4.15Å; M611-I616 WeakPolarHBondContact O-CD1 3.29Å; P612-I616 PolarHBondContact O-N 2.99Å; V613-I616 WeakPolarHBondContact O-CB 3.47Å; V613-I616 PolarHBondContact O-N 3.23Å; I616-M618 VanDerWaalsContact C-N 3.32Å; I616-M618 PolarHBondContact O-N 2.99Å; I616-K619 PolarHBondContact O-N 2.91Å; I616-L620 HydrophobicContact CG2-CD1 3.73Å; I616-L620 HydrophobicContact CG2-CG 4.45Å; I616-L620 VanDerWaalsContact O-CG 3.26Å; I616-L620 WeakPolarHBondContact O-CG 3.31Å; I616-L620 PolarHBondContact O-N 3.15Å; I616-I654 HydrophobicContact CD1-CG2 4.4Å; I616-I654 HydrophobicContact CG2-CG2 3.78Å; I616-C656 HydrophobicContact CD1-CB 4.23Å
617	K	55.9	Low	59.9	Low	65 Å²	65	77.3 Å²	77.3	28%	0.283	41%	0.408	S	S	.	.	H	α-helix	trans	-54.5	-44.3	175.8	-75.2	160.6	179	164.1	0	112	V613 E614 R621 I689	V613-K617 HydrophobicContact CG1-CD 4.24Å; V613-K617 WeakPolarHBondContact O-CB 3.33Å; V613-K617 WeakPolarHBondContact O-CD 3.43Å; V613-K617 WeakPolarHBondContact O-CG 3.37Å; V613-K617 PolarHBondContact O-N 3.44Å; E614-K617 PolarHBondContact O-N 3.13Å; E614-K617 IonicContact OE1-NZ 2.82Å; E614-K617 PolarHBondContact OE1-NZ 3.04Å; K617-R621 WeakPolarHBondContact O-CB 3.31Å; K617-R621 VanDerWaalsContact O-CG 3.29Å; K617-R621 WeakPolarHBondContact O-CG 3.48Å; K617-R621 PolarHBondContact O-N 2.96Å; K617-I689 HydrophobicContact CG-CG2 3.75Å
618	M	65.7	Low	59	Low	129 Å²	129	81.4 Å²	81.4	64%	0.635	43%	0.426	S	S	*	.	H	α-helix	trans	-64.3	-49.2	176.6	-88.1	-168	164.5	0	0	112.3	E614 S615 I616 L620 R621 N622	E614-M618 WeakPolarHBondContact O-CB 3.37Å; E614-M618 PolarHBondContact O-N 3.09Å; S615-M618 PolarHBondContact O-N 3.03Å; I616-M618 VanDerWaalsContact C-N 3.32Å; I616-M618 PolarHBondContact O-N 2.99Å; M618-L620 VanDerWaalsContact C-N 3.27Å; M618-L620 PolarHBondContact O-N 3.36Å; M618-R621 PolarHBondContact O-N 3.26Å; M618-N622 VanDerWaalsContact O-CG 3.29Å; M618-N622 PolarHBondContact O-N 2.92Å; M618-N622 PolarHBondContact O-OD1 2.99Å
619	K	65.9	Low	58.5	Low	109 Å²	109	81.4 Å²	81.4	47%	0.474	42%	0.415	S	S	.	.	H	α-helix	trans	-58.9	-42.2	180	-174.3	171.5	176	176.9	0	111.2	S615 I616 N622 E623	S615-K619 WeakPolarHBondContact O-CB 3.28Å; S615-K619 PolarHBondContact O-N 3.15Å; I616-K619 PolarHBondContact O-N 2.91Å; K619-N622 PolarHBondContact O-N 3.14Å; K619-E623 WeakPolarHBondContact CE-OE1 3.47Å; K619-E623 WeakPolarHBondContact CG-OE1 3.41Å; K619-E623 WeakPolarHBondContact O-CG 3.48Å; K619-E623 PolarHBondContact O-N 2.87Å
620	L	60.7	Low	58.4	Low	15 Å²	15	83.1 Å²	83.1	8%	0.079	42%	0.421	C	S	.	.	H	α-helix	trans	-67.5	-42.6	175.9	-65.6	165.6	0	0	0	113.5	I616 M618 N622 E623 L624 I654 M686 I689 F690	I616-L620 HydrophobicContact CG2-CD1 3.73Å; I616-L620 HydrophobicContact CG2-CG 4.45Å; I616-L620 VanDerWaalsContact O-CG 3.26Å; I616-L620 WeakPolarHBondContact O-CG 3.31Å; I616-L620 PolarHBondContact O-N 3.15Å; M618-L620 VanDerWaalsContact C-N 3.27Å; M618-L620 PolarHBondContact O-N 3.36Å; L620-N622 PolarHBondContact O-N 3.02Å; L620-E623 PolarHBondContact O-N 2.85Å; L620-L624 VanDerWaalsContact O-CB 3.3Å; L620-L624 WeakPolarHBondContact O-CB 3.32Å; L620-L624 PolarHBondContact O-N 2.86Å; L620-I654 HydrophobicContact CD1-CD1 3.33Å; L620-I654 HydrophobicContact CD2-CD1 3.23Å; L620-I654 HydrophobicContact CG-CD1 3.76Å; L620-M686 HydrophobicContact CD1-SD 4.33Å; L620-M686 HydrophobicContact CD2-CE 4.18Å; L620-M686 HydrophobicContact CD2-SD 4.09Å; L620-I689 HydrophobicContact CD1-CD1 3.67Å; L620-I689 HydrophobicContact CD1-CG2 4.1Å; L620-F690 HydrophobicContact CB-CZ 4.04Å
621	R	66.8	Low	58.1	Low	112 Å²	112	84.3 Å²	84.3	42%	0.423	43%	0.43	S	S	.	.	H	α-helix	trans	-57.3	-42	173.6	-79.2	173.9	175.4	168	-1.4	110.7	K617 M618 L624 L625 F690 S693	K617-R621 WeakPolarHBondContact O-CB 3.31Å; K617-R621 VanDerWaalsContact O-CG 3.29Å; K617-R621 WeakPolarHBondContact O-CG 3.48Å; K617-R621 PolarHBondContact O-N 2.96Å; M618-R621 PolarHBondContact O-N 3.26Å; R621-L624 PolarHBondContact O-N 3.22Å; R621-L625 WeakPolarHBondContact O-CB 3.48Å; R621-L625 WeakPolarHBondContact O-CD1 3.33Å; R621-L625 VanDerWaalsContact O-CG 3.22Å; R621-L625 WeakPolarHBondContact O-CG 3.39Å; R621-L625 PolarHBondContact O-N 2.54Å; R621-F690 HydrophobicContact CG-CE1 3.92Å; R621-S693 PolarHBondContact NH2-OG 3.36Å
622	N	69.4	Low	57.9	Low	89 Å²	89	85.7 Å²	85.7	48%	0.476	44%	0.439	S	S	.	.	H	α-helix	trans	-66.6	-46.5	177.3	-66.7	-8.1	0	0	0	111.9	M618 K619 L620 L624 L625 H626	M618-N622 VanDerWaalsContact O-CG 3.29Å; M618-N622 PolarHBondContact O-N 2.92Å; M618-N622 PolarHBondContact O-OD1 2.99Å; K619-N622 PolarHBondContact O-N 3.14Å; L620-N622 PolarHBondContact O-N 3.02Å; N622-L624 VanDerWaalsContact C-N 3.33Å; N622-L624 PolarHBondContact O-N 3.11Å; N622-L625 PolarHBondContact O-N 2.91Å; N622-H626 PolarHBondContact O-N 3.12Å; N622-H626 PolarHBondContact O-ND1 2.87Å
623	E	67.3	Low	57.5	Low	104 Å²	104	88.9 Å²	88.9	49%	0.486	45%	0.452	S	S	.	.	H	α-helix	trans	-61.8	-39.5	176.4	-73.2	169.1	-175.2	0	0	111.8	K619 L620 H626 S627	K619-E623 WeakPolarHBondContact CE-OE1 3.47Å; K619-E623 WeakPolarHBondContact CG-OE1 3.41Å; K619-E623 WeakPolarHBondContact O-CG 3.48Å; K619-E623 PolarHBondContact O-N 2.87Å; L620-E623 PolarHBondContact O-N 2.85Å; E623-H626 PolarHBondContact O-N 3.1Å; E623-S627 PolarHBondContact O-N 2.82Å; E623-S627 PolarHBondContact O-OG 3.25Å
624	L	63	Low	57.1	Low	68 Å²	68	95.6 Å²	95.6	36%	0.356	48%	0.482	S	S	.	.	H	α-helix	trans	-64.8	-46.2	175.2	-148	78.5	0	0	0	111.4	L620 R621 N622 H626 S627 Q628	L620-L624 VanDerWaalsContact O-CB 3.3Å; L620-L624 WeakPolarHBondContact O-CB 3.32Å; L620-L624 PolarHBondContact O-N 2.86Å; R621-L624 PolarHBondContact O-N 3.22Å; N622-L624 VanDerWaalsContact C-N 3.33Å; N622-L624 PolarHBondContact O-N 3.11Å; L624-H626 PolarHBondContact O-N 3.27Å; L624-S627 PolarHBondContact O-N 3.34Å; L624-S627 PolarHBondContact O-OG 3.15Å; L624-Q628 WeakPolarHBondContact O-CG 3.45Å; L624-Q628 PolarHBondContact O-N 2.7Å
625	L	64.2	Low	56.1	Low	89 Å²	89	95.5 Å²	95.5	47%	0.466	49%	0.493	S	S	.	.	H	α-helix	trans	-59.7	-42.9	176.2	-77.5	164.1	0	0	0	112.3	R621 N622 Q628 Q629	R621-L625 WeakPolarHBondContact O-CB 3.48Å; R621-L625 WeakPolarHBondContact O-CD1 3.33Å; R621-L625 VanDerWaalsContact O-CG 3.22Å; R621-L625 WeakPolarHBondContact O-CG 3.39Å; R621-L625 PolarHBondContact O-N 2.54Å; N622-L625 PolarHBondContact O-N 2.91Å; L625-Q628 PolarHBondContact O-N 3.3Å; L625-Q629 WeakPolarHBondContact O-CG 3.41Å; L625-Q629 PolarHBondContact O-N 2.74Å
626	H	62.1	Low	54.8	Low	121 Å²	121	99 Å²	99	56%	0.56	51%	0.514	S	S	*	.	H	α-helix	trans	-64.5	-40.9	176.1	-75.2	72.7	0	0	0	111.5	N622 E623 L624 Q628 Q629 L630	N622-H626 PolarHBondContact O-N 3.12Å; N622-H626 PolarHBondContact O-ND1 2.87Å; E623-H626 PolarHBondContact O-N 3.1Å; L624-H626 PolarHBondContact O-N 3.27Å; H626-Q628 PolarHBondContact O-N 2.89Å; H626-Q629 PolarHBondContact O-N 2.8Å; H626-L630 WeakPolarHBondContact O-CG 3.33Å; H626-L630 PolarHBondContact O-N 2.73Å; H626-L630 VanDerWaalsContact O-N 3.1Å
627	S	55.4	Low	53.8	Low	62 Å²	62	104.7 Å²	104.7	43%	0.434	55%	0.549	S	S	.	.	H	α-helix	trans	-65.1	-35.9	177.1	69.6	0	0	0	0	113.2	E623 L624 L630 S631	E623-S627 PolarHBondContact O-N 2.82Å; E623-S627 PolarHBondContact O-OG 3.25Å; L624-S627 PolarHBondContact O-N 3.34Å; L624-S627 PolarHBondContact O-OG 3.15Å; S627-L630 PolarHBondContact O-N 3.37Å; S627-S631 PolarHBondContact O-N 2.99Å; S627-S631 VanDerWaalsContact O-N 3.12Å
628	Q	52.7	Low	52.7	Low	98 Å²	98	110.3 Å²	110.3	46%	0.458	58%	0.576	S	S	.	*	H	α-helix	trans	-72.6	-33.4	175.2	-70	177.2	4.5	0	0	112.9	L624 L625 H626 L630 S631 N632	L624-Q628 WeakPolarHBondContact O-CG 3.45Å; L624-Q628 PolarHBondContact O-N 2.7Å; L625-Q628 PolarHBondContact O-N 3.3Å; H626-Q628 PolarHBondContact O-N 2.89Å; Q628-L630 VanDerWaalsContact C-N 3.31Å; Q628-S631 WeakPolarHBondContact CA-OG 3.46Å; Q628-S631 PolarHBondContact O-N 2.69Å; Q628-S631 PolarHBondContact O-OG 3.47Å; Q628-N632 PolarHBondContact O-N 3.25Å; Q628-N632 PolarHBondContact O-ND2 3.15Å; Q628-N632 PolarHBondContact O-OD1 2.78Å
629	Q	51.8	Low	51	Low	124 Å²	124	110.8 Å²	110.8	58%	0.579	59%	0.586	S	S	*	*	H	α-helix	trans	-69.2	-29.8	173.6	-74.1	177.4	-3.5	0	0	112.5	L625 H626 N633	L625-Q629 WeakPolarHBondContact O-CG 3.41Å; L625-Q629 PolarHBondContact O-N 2.74Å; H626-Q629 PolarHBondContact O-N 2.8Å; Q629-N633 PolarHBondContact O-ND2 2.92Å
630	L	51.9	Low	49.2	Very low	130 Å²	130	111.6 Å²	111.6	68%	0.681	60%	0.595	S	S	*	*	H	α-helix	trans	-73.4	-42.3	173.3	-71.9	164.3	0	0	0	112.1	H626 S627 Q628 N632	H626-L630 WeakPolarHBondContact O-CG 3.33Å; H626-L630 PolarHBondContact O-N 2.73Å; H626-L630 VanDerWaalsContact O-N 3.1Å; S627-L630 PolarHBondContact O-N 3.37Å; Q628-L630 VanDerWaalsContact C-N 3.31Å; L630-N632 VanDerWaalsContact C-N 3.26Å; L630-N632 PolarHBondContact O-N 2.82Å
631	S	45.1	Very low	47.7	Very low	75 Å²	75	120.8 Å²	120.8	52%	0.524	64%	0.635	S	S	.	*	H	α-helix	trans	-66.1	-23.7	-178.6	60	0	0	0	0	114.8	S627 Q628 N633	S627-S631 PolarHBondContact O-N 2.99Å; S627-S631 VanDerWaalsContact O-N 3.12Å; Q628-S631 WeakPolarHBondContact CA-OG 3.46Å; Q628-S631 PolarHBondContact O-N 2.69Å; Q628-S631 PolarHBondContact O-OG 3.47Å; S631-N633 VanDerWaalsContact C-N 3.31Å; S631-N633 PolarHBondContact O-N 3.26Å
632	N	45.2	Very low	46	Very low	131 Å²	131	123.3 Å²	123.3	70%	0.701	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	1.5	-172.3	-67.3	-2.6	0	0	0	114.3	Q628 L630	Q628-N632 PolarHBondContact O-N 3.25Å; Q628-N632 PolarHBondContact O-ND2 3.15Å; Q628-N632 PolarHBondContact O-OD1 2.78Å; L630-N632 VanDerWaalsContact C-N 3.26Å; L630-N632 PolarHBondContact O-N 2.82Å
633	N	45	Very low	44.1	Very low	141 Å²	141	123 Å²	123	75%	0.754	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.8	-0.8	-177.8	-74.4	-58.9	0	0	0	114.6	Q629 S631	Q629-N633 PolarHBondContact O-ND2 2.92Å; S631-N633 VanDerWaalsContact C-N 3.31Å; S631-N633 PolarHBondContact O-N 3.26Å
634	E	40.4	Very low	42.4	Very low	175 Å²	175	124.6 Å²	124.6	82%	0.818	67%	0.669	S	S	*	*	S	Bend	trans	-108.8	136.8	178.7	-64.9	-162	151	0	0	112.7
635	S	34	Very low	40.8	Very low	105 Å²	105	131.1 Å²	131.1	73%	0.734	70%	0.695	S	S	*	*			trans	-76.4	140.3	-170.6	-61.6	0	0	0	0	112.8	T637	S635-T637 PolarHBondContact O-N 3.05Å
636	P	33.7	Very low	39.1	Very low	127 Å²	127	136 Å²	136	83%	0.825	72%	0.715	S	S	*	*			trans	-76.9	92.4	-172.7	30.8	-36.1	0	0	0	113.1
637	T	34.4	Very low	37.6	Very low	129 Å²	129	136.9 Å²	136.9	79%	0.791	72%	0.719	S	S	*	*			trans	-103	116	167.6	49.5	0	0	0	0	111.8	S635 T639	S635-T637 PolarHBondContact O-N 3.05Å; T637-T639 PolarHBondContact O-N 3.46Å; T637-T639 VanDerWaalsContact O-N 3.16Å
638	H	31.3	Very low	36.4	Very low	184 Å²	184	142.9 Å²	142.9	85%	0.852	74%	0.741	S	S	*	*			trans	-67.6	102.5	-179.8	-81.3	-123.5	0	0	0	112.7
639	T	30.4	Very low	35.2	Very low	138 Å²	138	145.9 Å²	145.9	85%	0.847	76%	0.755	S	S	*	*			trans	-171.6	52.6	151.3	12.2	0	0	0	0	116.7	T637	T637-T639 PolarHBondContact O-N 3.46Å; T637-T639 VanDerWaalsContact O-N 3.16Å
640	L	29.1	Very low	34.3	Very low	126 Å²	126	148.5 Å²	148.5	66%	0.66	77%	0.767	S	S	*	*			trans	-149.6	0.8	173.3	-115	158.5	0	0	0	118.5	N642	L640-N642 PolarHBondContact O-N 3.13Å
641	F	28.3	Very low	33.4	Very low	208 Å²	208	150.5 Å²	150.5	91%	0.912	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-9.9	-164.1	-120	-88.7	0	0	0	117.4
642	N	31.5	Very low	33.1	Very low	166 Å²	166	158 Å²	158	89%	0.888	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-4.4	-176	-82.9	-29.9	0	0	0	115.2	L640	L640-N642 PolarHBondContact O-N 3.13Å
643	S	28.5	Very low	32.9	Very low	83 Å²	83	152.7 Å²	152.7	58%	0.58	77%	0.765	S	S	*	*	S	Bend	trans	-85.7	-21.2	-175.3	-53.4	0	0	0	0	114.5	K645	S643-K645 PolarHBondContact O-N 2.93Å
644	H	31.9	Very low	32.9	Very low	137 Å²	137	147.8 Å²	147.8	63%	0.634	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-81.6	-10.7	-165.4	-84.3	79.8	0	0	0	115.6	Q646 Q647	H644-Q646 PolarHBondContact O-N 3.15Å; H644-Q646 VanDerWaalsContact O-N 3.12Å; H644-Q647 PolarHBondContact O-N 3.3Å
645	K	30.3	Very low	33	Very low	205 Å²	205	144 Å²	144	89%	0.891	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-73.1	2.1	-179.3	-97.6	-176.9	176.9	177.4	0	115.8	S643	S643-K645 PolarHBondContact O-N 2.93Å
646	Q	29.2	Very low	33.6	Very low	190 Å²	190	139.2 Å²	139.2	89%	0.888	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-119.8	6.6	174.7	-68.5	-169.5	-1.7	0	0	114.7	H644	H644-Q646 PolarHBondContact O-N 3.15Å; H644-Q646 VanDerWaalsContact O-N 3.12Å
647	Q	29.3	Very low	34.2	Very low	140 Å²	140	136.3 Å²	136.3	65%	0.654	66%	0.662	S	S	*	*			trans	-112.2	57.6	169	-70.5	-168.6	-3	0	0	111.8	H644 Q649	H644-Q647 PolarHBondContact O-N 3.3Å; Q647-Q649 PolarHBondContact O-N 2.81Å
648	Q	29.6	Very low	34.6	Very low	189 Å²	189	131.2 Å²	131.2	88%	0.883	63%	0.63	S	S	*	*			trans	-72.5	57.8	156.1	-74.3	-174	-21.1	0	0	110.2	Q650	Q648-Q650 PolarHBondContact O-N 2.8Å; Q648-Q650 VanDerWaalsContact O-N 3.09Å
649	Q	28.5	Very low	35.2	Very low	161 Å²	161	125.3 Å²	125.3	75%	0.752	61%	0.605	S	S	*	*			trans	-73.1	97.3	162.1	-76.1	-168.4	-4.6	0	0	107.5	Q647 Q651	Q647-Q649 PolarHBondContact O-N 2.81Å; Q649-Q651 PolarHBondContact O-N 3.24Å
650	Q	33.8	Very low	35.5	Very low	179 Å²	179	121.3 Å²	121.3	84%	0.836	58%	0.581	S	S	*	*			trans	2.9	88.3	160.5	-64.3	173.3	-16.1	0	0	114.1	Q648 R652	Q648-Q650 PolarHBondContact O-N 2.8Å; Q648-Q650 VanDerWaalsContact O-N 3.09Å; Q650-R652 PolarHBondContact O-N 2.92Å
651	Q	32.5	Very low	35.9	Very low	172 Å²	172	116.2 Å²	116.2	80%	0.804	56%	0.555	S	S	*	*			trans	-58.6	114.1	158.9	-74.9	-172	-5.2	0	0	105.8	Q649 G653	Q649-Q651 PolarHBondContact O-N 3.24Å; Q651-G653 PolarHBondContact O-N 3.38Å
652	R	37.4	Very low	36.5	Very low	233 Å²	233	110.4 Å²	110.4	88%	0.879	53%	0.532	S	S	*	.			trans	-67.1	99.7	178.6	-77.7	-177.4	170	-175.1	-4.5	107.5	Q650	Q650-R652 PolarHBondContact O-N 2.92Å
653	G	42.4	Very low	36.9	Very low	18 Å²	18	107.4 Å²	107.4	19%	0.186	51%	0.509	C	S	.	.			trans	-55.1	160.9	169.1	0	0	0	0	0	110.6	Q651 I655 I683 F684	Q651-G653 PolarHBondContact O-N 3.38Å; G653-I655 PolarHBondContact O-N 2.87Å; G653-I683 VanDerWaalsContact C-CG2 3.43Å; G653-I683 VanDerWaalsContact CA-CG2 3.49Å; G653-F684 CarbonylContact C-O 3.26Å; G653-F684 WeakPolarHBondContact CA-O 3.44Å
654	I	45.3	Very low	37.2	Very low	38 Å²	38	105.7 Å²	105.7	20%	0.195	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	114.3	-157.4	-64.6	166.7	0	0	0	109.4	I616 L620 C656 F684 M686 I689	I616-I654 HydrophobicContact CD1-CG2 4.4Å; I616-I654 HydrophobicContact CG2-CG2 3.78Å; L620-I654 HydrophobicContact CD1-CD1 3.33Å; L620-I654 HydrophobicContact CD2-CD1 3.23Å; L620-I654 HydrophobicContact CG-CD1 3.76Å; I654-C656 PolarHBondContact O-N 3.29Å; I654-C656 VanDerWaalsContact O-N 3.08Å; I654-F684 PolarHBondContact N-O 3.11Å; I654-F684 PolarHBondContact O-N 2.9Å; I654-M686 HydrophobicContact CD1-SD 3.96Å; I654-I689 HydrophobicContact CB-CD1 4.31Å; I654-I689 HydrophobicContact CD1-CD1 3.94Å
655	I	42.7	Very low	37.4	Very low	95 Å²	95	107.3 Å²	107.3	49%	0.487	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	106.3	178.6	-57.6	176.8	0	0	0	107.8	G653 A681 I683	G653-I655 PolarHBondContact O-N 2.87Å; I655-A681 HydrophobicContact CG2-CB 3.51Å; I655-I683 HydrophobicContact CG1-CG1 4.38Å
656	C	44.6	Very low	37.8	Very low	5 Å²	5	102.6 Å²	102.6	3%	0.034	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	139.9	171.5	71.8	0	0	0	0	109.9	I616 I654 L658 A681 R682 F684	I616-C656 HydrophobicContact CD1-CB 4.23Å; I654-C656 PolarHBondContact O-N 3.29Å; I654-C656 VanDerWaalsContact O-N 3.08Å; C656-L658 PolarHBondContact O-N 2.91Å; C656-A681 WeakPolarHBondContact O-CB 3.35Å; C656-R682 PolarHBondContact N-O 2.87Å; C656-R682 PolarHBondContact O-N 3.05Å; C656-R682 PolarHBondContact SG-O 3.43Å; C656-F684 HydrophobicContact CB-CD2 3.93Å; C656-F684 HydrophobicContact CB-CE2 3.93Å; C656-F684 WeakPolarHBondContact SG-CD2 3.28Å; C656-F684 WeakPolarHBondContact SG-CE2 3.36Å
657	W	48.3	Very low	38	Very low	66 Å²	66	98.3 Å²	98.3	25%	0.25	46%	0.46	C	S	.	.			trans	-93.6	79.7	164.8	-62.7	95.5	0	0	0	107.7	P396 P610 T679 A681	P396-W657 HydrophobicContact CB-CD2 3.95Å; P396-W657 HydrophobicContact CB-CE3 3.95Å; P396-W657 HydrophobicContact CB-CH2 3.5Å; P396-W657 VanDerWaalsContact CB-CH2 3.5Å; P396-W657 HydrophobicContact CB-CZ2 3.58Å; P396-W657 HydrophobicContact CB-CZ3 3.74Å; P396-W657 HydrophobicContact CG-CD2 4.22Å; P396-W657 HydrophobicContact CG-CE3 3.73Å; P396-W657 HydrophobicContact CG-CH2 3.7Å; P396-W657 HydrophobicContact CG-CZ2 4.26Å; P396-W657 HydrophobicContact CG-CZ3 3.45Å; P396-W657 VanDerWaalsContact CG-CZ3 3.45Å; P610-W657 HydrophobicContact CB-CB 3.69Å; P610-W657 HydrophobicContact CB-CG 4.08Å; P610-W657 HydrophobicContact CG-CB 3.56Å; P610-W657 HydrophobicContact CG-CG 3.73Å; W657-T679 WeakPolarHBondContact CH2-O 3.33Å; W657-T679 WeakPolarHBondContact CH2-OG1 3.36Å; W657-T679 WeakPolarHBondContact CZ2-OG1 3.21Å; W657-T679 WeakPolarHBondContact CZ3-O 3.35Å; W657-A681 HydrophobicContact CD2-CB 3.75Å; W657-A681 HydrophobicContact CE3-CB 3.8Å; W657-A681 HydrophobicContact CG-CB 4.38Å; W657-A681 HydrophobicContact CH2-CB 4.12Å; W657-A681 HydrophobicContact CZ2-CB 4Å; W657-A681 HydrophobicContact CZ3-CB 3.99Å
658	L	42.8	Very low	38.4	Very low	23 Å²	23	99.1 Å²	99.1	12%	0.12	46%	0.463	C	S	.	.			trans	-53.3	147.2	163.5	-79	172.3	0	0	0	109.3	R479 V613 C656 P660 I662 R682 F684	R479-L658 PolarHBondContact NH2-O 3.04Å; V613-L658 HydrophobicContact CG2-CD2 4.14Å; C656-L658 PolarHBondContact O-N 2.91Å; L658-P660 WeakPolarHBondContact O-CD 3.4Å; L658-I662 HydrophobicContact CD2-CB 4.48Å; L658-I662 HydrophobicContact CD2-CD1 4.28Å; L658-I662 HydrophobicContact CD2-CG2 4.1Å; L658-R682 HydrophobicContact CD1-CB 4.44Å; L658-F684 HydrophobicContact CD1-CZ 3.96Å; L658-F684 HydrophobicContact CD2-CZ 4.29Å; L658-F684 HydrophobicContact CG-CZ 4.29Å
659	D	43.2	Very low	38.9	Very low	59 Å²	59	95.9 Å²	95.9	32%	0.316	46%	0.462	S	S	.	.			trans	-60.3	124.9	158.4	179.1	3.1	0	0	0	108.4	L661 I662	D659-L661 PolarHBondContact O-N 2.88Å; D659-L661 VanDerWaalsContact O-N 3.07Å; D659-L661 WeakPolarHBondContact OD1-CB 3.44Å; D659-L661 VanDerWaalsContact OD1-CG 3.26Å; D659-L661 WeakPolarHBondContact OD1-CG 3.45Å; D659-L661 PolarHBondContact OD1-N 2.85Å; D659-L661 WeakPolarHBondContact OD2-CB 3.36Å; D659-I662 HydrophobicContact CB-CD1 3.88Å; D659-I662 HydrophobicContact CB-CG1 4.02Å; D659-I662 WeakPolarHBondContact O-CB 3.45Å; D659-I662 PolarHBondContact O-N 2.82Å
660	P	36.8	Very low	39.6	Very low	55 Å²	55	96.4 Å²	96.4	36%	0.357	46%	0.464	S	S	.	.	H	α-helix	trans	-54.3	-23.9	174.2	-27	36.4	0	0	0	113.1	R479 L658 I662 Y663 L664	R479-P660 VanDerWaalsContact NE-CD 3.3Å; L658-P660 WeakPolarHBondContact O-CD 3.4Å; P660-I662 VanDerWaalsContact C-N 3.33Å; P660-I662 PolarHBondContact O-N 2.86Å; P660-Y663 CarbonylContact O-C 3.32Å; P660-Y663 WeakPolarHBondContact O-CA 3.46Å; P660-Y663 WeakPolarHBondContact O-CB 3.44Å; P660-Y663 PolarHBondContact O-N 2.8Å; P660-L664 WeakPolarHBondContact O-CG 3.23Å; P660-L664 PolarHBondContact O-N 2.88Å
661	L	36.8	Very low	39.8	Very low	19 Å²	19	95 Å²	95	10%	0.099	45%	0.452	C	S	.	.	H	α-helix	trans	-66.8	-32.1	173.6	-51.4	176.9	0	0	0	112.5	L439 D659 Y663 L664 R665	L439-L661 HydrophobicContact CD1-CD1 4.16Å; L439-L661 HydrophobicContact CD1-CD2 4.15Å; L439-L661 HydrophobicContact CD2-CD1 3.7Å; L439-L661 HydrophobicContact CD2-CD2 3.43Å; L439-L661 VanDerWaalsContact CD2-CD2 3.43Å; L439-L661 HydrophobicContact CD2-CG 4.18Å; L439-L661 HydrophobicContact CG-CD1 4.19Å; L439-L661 HydrophobicContact CG-CD2 4.38Å; D659-L661 PolarHBondContact O-N 2.88Å; D659-L661 VanDerWaalsContact O-N 3.07Å; D659-L661 WeakPolarHBondContact OD1-CB 3.44Å; D659-L661 VanDerWaalsContact OD1-CG 3.26Å; D659-L661 WeakPolarHBondContact OD1-CG 3.45Å; D659-L661 PolarHBondContact OD1-N 2.85Å; D659-L661 WeakPolarHBondContact OD2-CB 3.36Å; L661-Y663 PolarHBondContact O-N 3.05Å; L661-L664 HydrophobicContact CD2-CD1 4.35Å; L661-L664 PolarHBondContact O-N 3.09Å; L661-R665 VanDerWaalsContact O-CB 3.26Å; L661-R665 WeakPolarHBondContact O-CB 3.32Å; L661-R665 WeakPolarHBondContact O-CG 3.35Å; L661-R665 PolarHBondContact O-N 2.84Å
662	I	41.1	Very low	40.3	Very low	85 Å²	85	91.7 Å²	91.7	44%	0.436	45%	0.446	S	S	.	.	H	α-helix	trans	-69.4	-16.3	172	-60.3	168.7	0	0	0	111.4	L658 D659 P660 R666	L658-I662 HydrophobicContact CD2-CB 4.48Å; L658-I662 HydrophobicContact CD2-CD1 4.28Å; L658-I662 HydrophobicContact CD2-CG2 4.1Å; D659-I662 HydrophobicContact CB-CD1 3.88Å; D659-I662 HydrophobicContact CB-CG1 4.02Å; D659-I662 WeakPolarHBondContact O-CB 3.45Å; D659-I662 PolarHBondContact O-N 2.82Å; P660-I662 VanDerWaalsContact C-N 3.33Å; P660-I662 PolarHBondContact O-N 2.86Å; I662-R666 WeakPolarHBondContact O-CG 3.3Å; I662-R666 PolarHBondContact O-NE 2.94Å
663	Y	39.5	Very low	40.7	Very low	104 Å²	104	88.1 Å²	88.1	41%	0.408	44%	0.443	S	S	.	.	H	α-helix	trans	-92.7	-39.3	171.2	-173.9	-99.3	0	0	0	112.5	P660 L661 R666 P674	P660-Y663 CarbonylContact O-C 3.32Å; P660-Y663 WeakPolarHBondContact O-CA 3.46Å; P660-Y663 WeakPolarHBondContact O-CB 3.44Å; P660-Y663 PolarHBondContact O-N 2.8Å; L661-Y663 PolarHBondContact O-N 3.05Å; Y663-R666 WeakPolarHBondContact O-CB 3.34Å; Y663-R666 PolarHBondContact O-N 3.38Å; Y663-P674 HydrophobicContact CE2-CG 3.84Å
664	L	34.4	Very low	40.9	Very low	47 Å²	47	88.2 Å²	88.2	25%	0.246	44%	0.44	C	S	.	.	H	α-helix	trans	-71.7	-32.4	178.5	-69.9	168.1	0	0	0	112.8	P660 L661 R666 L738 K739	P660-L664 WeakPolarHBondContact O-CG 3.23Å; P660-L664 PolarHBondContact O-N 2.88Å; L661-L664 HydrophobicContact CD2-CD1 4.35Å; L661-L664 PolarHBondContact O-N 3.09Å; L664-R666 PolarHBondContact O-N 2.81Å; L664-L738 HydrophobicContact CD1-CB 4.48Å; L664-K739 HydrophobicContact CD2-CG 4.2Å
665	R	36.7	Very low	41	Very low	170 Å²	170	92.6 Å²	92.6	64%	0.642	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	18.2	172.8	-66	172.4	-174.4	-170.5	2.3	114.2	L661	L661-R665 VanDerWaalsContact O-CB 3.26Å; L661-R665 WeakPolarHBondContact O-CB 3.32Å; L661-R665 WeakPolarHBondContact O-CG 3.35Å; L661-R665 PolarHBondContact O-N 2.84Å
666	R	39.8	Very low	41.3	Very low	106 Å²	106	91.5 Å²	91.5	40%	0.4	45%	0.454	S	S	.	.			trans	-98.4	99.1	179.5	-70.7	-178.5	168.7	-123.6	-11.5	111	I662 Y663 L664	I662-R666 WeakPolarHBondContact O-CG 3.3Å; I662-R666 PolarHBondContact O-NE 2.94Å; Y663-R666 WeakPolarHBondContact O-CB 3.34Å; Y663-R666 PolarHBondContact O-N 3.38Å; L664-R666 PolarHBondContact O-N 2.81Å
667	C	32	Very low	41.5	Very low	100 Å²	100	92.7 Å²	92.7	68%	0.676	46%	0.46	S	S	*	.			trans	-62.4	156.9	156.7	-62.6	0	0	0	0	110.8
668	H	37.7	Very low	41.2	Very low	157 Å²	157	93.6 Å²	93.6	73%	0.727	47%	0.47	S	S	*	.			trans	77.9	138.9	173.2	-42	-66.4	0	0	0	117.8
669	S	40.6	Very low	41.1	Very low	121 Å²	121	94.1 Å²	94.1	85%	0.846	47%	0.474	S	S	*	.	S	Bend	trans	-94.5	0.9	-173.6	46.5	0	0	0	0	114.6	Y671	S669-Y671 VanDerWaalsContact C-N 3.35Å; S669-Y671 PolarHBondContact O-N 2.98Å
670	E	42.7	Very low	41.2	Very low	172 Å²	172	92.7 Å²	92.7	80%	0.804	47%	0.474	S	S	*	.			trans	-78	-14.3	-169.4	-60.9	-173.1	130.9	0	0	114.6
671	Y	38	Very low	41.7	Very low	150 Å²	150	90.1 Å²	90.1	59%	0.588	46%	0.457	S	S	*	.	S	Bend	trans	-87.4	133	179.1	-72.3	-84.9	0	0	0	111.6	S669	S669-Y671 VanDerWaalsContact C-N 3.35Å; S669-Y671 PolarHBondContact O-N 2.98Å
672	P	44.5	Very low	42.3	Very low	102 Å²	102	90.2 Å²	90.2	66%	0.662	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-60.8	145.7	174.7	26.3	-34.2	0	0	0	111	P674	P672-P674 VanDerWaalsContact O-N 3.15Å
673	L	45.9	Very low	42.9	Very low	159 Å²	159	88 Å²	88	83%	0.832	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-50.7	119.5	176.8	-83.5	157.3	0	0	0	110.2
674	P	45.4	Very low	43.5	Very low	19 Å²	19	84.1 Å²	84.1	12%	0.123	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-67.1	145.4	-175.2	27.8	-35.3	0	0	0	110.7	Y663 P672 I676 R682	Y663-P674 HydrophobicContact CE2-CG 3.84Å; P672-P674 VanDerWaalsContact O-N 3.15Å; P674-I676 PolarHBondContact O-N 2.94Å; P674-R682 HydrophobicContact CB-CG 4.15Å
675	H	47.3	Very low	44.3	Very low	130 Å²	130	85.6 Å²	85.6	60%	0.602	44%	0.438	S	S	*	.			trans	-68.8	110.8	176.5	-167	-47.3	0	0	0	109.3	I683	H675-I683 HydrophobicContact CB-CB 4.25Å; H675-I683 WeakPolarHBondContact O-CB 3.47Å; H675-I683 PolarHBondContact O-N 3.16Å
676	I	49.3	Very low	44.9	Very low	73 Å²	73	80 Å²	80	37%	0.374	42%	0.42	S	S	.	.	B	Isolated β-bridge	trans	-101.5	140.4	176.4	-65.7	168.2	0	0	0	108.4	P674 A681	P674-I676 PolarHBondContact O-N 2.94Å; I676-A681 VanDerWaalsContact CA-O 3.32Å; I676-A681 WeakPolarHBondContact CA-O 3.21Å
677	D	49	Very low	45.4	Very low	29 Å²	29	79.3 Å²	79.3	16%	0.155	42%	0.424	C	S	.	.			trans	-88.6	-179.6	178.3	72.9	14.5	0	0	0	113.4	T679 G680 A681 I683	D677-T679 PolarHBondContact O-N 2.88Å; D677-T679 VanDerWaalsContact O-N 3.14Å; D677-T679 VanDerWaalsContact OD1-CA 3.32Å; D677-T679 WeakPolarHBondContact OD1-CA 3.32Å; D677-T679 WeakPolarHBondContact OD1-CB 3.19Å; D677-T679 PolarHBondContact OD1-N 3.07Å; D677-T679 PolarHBondContact OD1-OG1 2.81Å; D677-T679 PolarHBondContact OD2-OG1 3.32Å; D677-G680 PolarHBondContact O-N 2.99Å; D677-G680 VanDerWaalsContact O-N 3.09Å; D677-G680 PolarHBondContact OD1-N 3.2Å; D677-A681 PolarHBondContact N-O 2.79Å; D677-A681 PolarHBondContact OD1-N 2.92Å; D677-I683 HydrophobicContact CB-CD1 4.12Å; D677-I683 HydrophobicContact CB-CG1 4.25Å
678	D	42.4	Very low	46.5	Very low	86 Å²	86	76.9 Å²	76.9	46%	0.46	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-1.7	-179.4	74.2	-47.9	0	0	0	114	R394	R394-D678 IonicContact CZ-OD2 3.58Å; R394-D678 IonicContact NH1-OD1 2.66Å; R394-D678 IonicContact NH1-OD2 2.68Å; R394-D678 PolarHBondContact NH1-OD2 2.86Å; R394-D678 IonicContact NH2-OD2 3.74Å; R394-D678 PolarHBondContact NH2-OD2 2.86Å
679	T	40.3	Very low	47	Very low	33 Å²	33	70 Å²	70	20%	0.202	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-12.8	173	79.2	0	0	0	0	112.2	W657 D677	W657-T679 WeakPolarHBondContact CH2-O 3.33Å; W657-T679 WeakPolarHBondContact CH2-OG1 3.36Å; W657-T679 WeakPolarHBondContact CZ2-OG1 3.21Å; W657-T679 WeakPolarHBondContact CZ3-O 3.35Å; D677-T679 PolarHBondContact O-N 2.88Å; D677-T679 VanDerWaalsContact O-N 3.14Å; D677-T679 VanDerWaalsContact OD1-CA 3.32Å; D677-T679 WeakPolarHBondContact OD1-CA 3.32Å; D677-T679 WeakPolarHBondContact OD1-CB 3.19Å; D677-T679 PolarHBondContact OD1-N 3.07Å; D677-T679 PolarHBondContact OD1-OG1 2.81Å; D677-T679 PolarHBondContact OD2-OG1 3.32Å
680	G	44.2	Very low	47.4	Very low	30 Å²	30	66.7 Å²	66.7	31%	0.309	34%	0.342	S	S	.	.	S	Bend	trans	90.4	9.7	-176.7	0	0	0	0	0	114.3	D677	D677-G680 PolarHBondContact O-N 2.99Å; D677-G680 VanDerWaalsContact O-N 3.09Å; D677-G680 PolarHBondContact OD1-N 3.2Å
681	A	47.3	Very low	47.9	Very low	1 Å²	1	63 Å²	63	1%	0.008	33%	0.328	C	S	.	.			trans	-81.7	149.9	174	0	0	0	0	0	111.1	I655 C656 W657 I676 D677	I655-A681 HydrophobicContact CG2-CB 3.51Å; C656-A681 WeakPolarHBondContact O-CB 3.35Å; W657-A681 HydrophobicContact CD2-CB 3.75Å; W657-A681 HydrophobicContact CE3-CB 3.8Å; W657-A681 HydrophobicContact CG-CB 4.38Å; W657-A681 HydrophobicContact CH2-CB 4.12Å; W657-A681 HydrophobicContact CZ2-CB 4Å; W657-A681 HydrophobicContact CZ3-CB 3.99Å; I676-A681 VanDerWaalsContact CA-O 3.32Å; I676-A681 WeakPolarHBondContact CA-O 3.21Å; D677-A681 PolarHBondContact N-O 2.79Å; D677-A681 PolarHBondContact OD1-N 2.92Å
682	R	51.5	Low	48.2	Very low	20 Å²	20	61.6 Å²	61.6	8%	0.075	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	123.2	174.1	174.1	177.6	-172.5	146.7	2.1	109	C656 L658 P674 F684 E688	C656-R682 PolarHBondContact N-O 2.87Å; C656-R682 PolarHBondContact O-N 3.05Å; C656-R682 PolarHBondContact SG-O 3.43Å; L658-R682 HydrophobicContact CD1-CB 4.44Å; P674-R682 HydrophobicContact CB-CG 4.15Å; R682-F684 HydrophobicContact CG-CD1 4.36Å; R682-F684 PolarHBondContact O-N 3.48Å; R682-E688 IonicContact CZ-OE1 3.81Å; R682-E688 IonicContact CZ-OE2 2.81Å; R682-E688 IonicContact NE-OE2 3.95Å; R682-E688 PolarHBondContact NE-OE2 2.83Å; R682-E688 IonicContact NH2-OE1 2.72Å; R682-E688 PolarHBondContact NH2-OE1 3.18Å; R682-E688 IonicContact NH2-OE2 3.13Å; R682-E688 PolarHBondContact NH2-OE2 2.83Å
683	I	53.2	Low	47.9	Very low	40 Å²	40	59.6 Å²	59.6	21%	0.205	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	102.2	163.5	-57.2	-169.7	0	0	0	106.9	G653 I655 H675 D677	G653-I683 VanDerWaalsContact C-CG2 3.43Å; G653-I683 VanDerWaalsContact CA-CG2 3.49Å; I655-I683 HydrophobicContact CG1-CG1 4.38Å; H675-I683 HydrophobicContact CB-CB 4.25Å; H675-I683 WeakPolarHBondContact O-CB 3.47Å; H675-I683 PolarHBondContact O-N 3.16Å; D677-I683 HydrophobicContact CB-CD1 4.12Å; D677-I683 HydrophobicContact CB-CG1 4.25Å
684	F	51.8	Low	47.1	Very low	21 Å²	21	58.4 Å²	58.4	9%	0.092	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	131.9	167.5	-78.2	-59.9	0	0	0	109.6	V613 G653 I654 C656 L658 R682 E688 I689	V613-F684 HydrophobicContact CG1-CE2 4.35Å; G653-F684 CarbonylContact C-O 3.26Å; G653-F684 WeakPolarHBondContact CA-O 3.44Å; I654-F684 PolarHBondContact N-O 3.11Å; I654-F684 PolarHBondContact O-N 2.9Å; C656-F684 HydrophobicContact CB-CD2 3.93Å; C656-F684 HydrophobicContact CB-CE2 3.93Å; C656-F684 WeakPolarHBondContact SG-CD2 3.28Å; C656-F684 WeakPolarHBondContact SG-CE2 3.36Å; L658-F684 HydrophobicContact CD1-CZ 3.96Å; L658-F684 HydrophobicContact CD2-CZ 4.29Å; L658-F684 HydrophobicContact CG-CZ 4.29Å; R682-F684 HydrophobicContact CG-CD1 4.36Å; R682-F684 PolarHBondContact O-N 3.48Å; F684-E688 HydrophobicContact CD1-CB 4.01Å; F684-E688 WeakPolarHBondContact CD1-OE2 3.43Å; F684-I689 HydrophobicContact CB-CD1 3.78Å; F684-I689 HydrophobicContact CB-CG1 3.65Å; F684-I689 HydrophobicContact CD2-CG1 4.32Å; F684-I689 HydrophobicContact CG-CD1 4.47Å; F684-I689 HydrophobicContact CG-CG1 4.01Å
685	N	50.8	Low	46.5	Very low	78 Å²	78	64.5 Å²	64.5	42%	0.417	34%	0.344	S	S	.	.			trans	-74.9	151.5	159.1	-178	27	0	0	0	109.4	D687 E688 I689	N685-D687 PolarHBondContact ND2-OD2 2.96Å; N685-D687 PolarHBondContact O-N 3.49Å; N685-E688 HydrophobicContact CB-CG 4.35Å; N685-E688 WeakPolarHBondContact O-CB 3.3Å; N685-E688 PolarHBondContact O-N 3.1Å; N685-I689 PolarHBondContact O-N 2.88Å
686	M	49.7	Very low	45.6	Very low	52 Å²	52	66.8 Å²	66.8	26%	0.256	36%	0.355	S	S	.	.	H	α-helix	trans	-54.1	-41.8	-178.3	-69.7	-70.5	-87.3	0	0	111.7	L620 I654 E688 I689 F690	L620-M686 HydrophobicContact CD1-SD 4.33Å; L620-M686 HydrophobicContact CD2-CE 4.18Å; L620-M686 HydrophobicContact CD2-SD 4.09Å; I654-M686 HydrophobicContact CD1-SD 3.96Å; M686-E688 VanDerWaalsContact C-N 3.26Å; M686-E688 PolarHBondContact O-N 3.25Å; M686-I689 WeakPolarHBondContact O-CB 3.36Å; M686-I689 PolarHBondContact O-N 3.43Å; M686-F690 HydrophobicContact CE-CE2 3.83Å; M686-F690 VanDerWaalsContact O-CD2 3.29Å; M686-F690 WeakPolarHBondContact O-CD2 3.1Å; M686-F690 PolarHBondContact O-N 2.88Å; M686-F690 HydrophobicContact SD-CE2 4.31Å
687	D	50.7	Low	44.5	Very low	92 Å²	92	68.7 Å²	68.7	49%	0.492	37%	0.37	S	S	.	.	H	α-helix	trans	-56.6	-37.6	177.6	-54.4	-55.7	0	0	0	112.6	N685 I689 N691	N685-D687 PolarHBondContact ND2-OD2 2.96Å; N685-D687 PolarHBondContact O-N 3.49Å; D687-I689 VanDerWaalsContact C-N 3.31Å; D687-I689 PolarHBondContact O-N 3.09Å; D687-N691 WeakPolarHBondContact O-CB 3.39Å; D687-N691 PolarHBondContact O-N 3.09Å; D687-N691 PolarHBondContact O-ND2 2.92Å
688	E	53.5	Low	43.4	Very low	49 Å²	49	77.3 Å²	77.3	23%	0.229	41%	0.406	C	S	.	.	H	α-helix	trans	-68.7	-30	177.7	-56.2	-163	123	0	0	112.7	R682 F684 N685 M686 N692	R682-E688 IonicContact CZ-OE1 3.81Å; R682-E688 IonicContact CZ-OE2 2.81Å; R682-E688 IonicContact NE-OE2 3.95Å; R682-E688 PolarHBondContact NE-OE2 2.83Å; R682-E688 IonicContact NH2-OE1 2.72Å; R682-E688 PolarHBondContact NH2-OE1 3.18Å; R682-E688 IonicContact NH2-OE2 3.13Å; R682-E688 PolarHBondContact NH2-OE2 2.83Å; F684-E688 HydrophobicContact CD1-CB 4.01Å; F684-E688 WeakPolarHBondContact CD1-OE2 3.43Å; N685-E688 HydrophobicContact CB-CG 4.35Å; N685-E688 WeakPolarHBondContact O-CB 3.3Å; N685-E688 PolarHBondContact O-N 3.1Å; M686-E688 VanDerWaalsContact C-N 3.26Å; M686-E688 PolarHBondContact O-N 3.25Å; E688-N692 PolarHBondContact O-ND2 2.99Å
689	I	50.2	Low	42.7	Very low	12 Å²	12	79.6 Å²	79.6	6%	0.062	42%	0.424	C	S	.	.	H	α-helix	trans	-76.4	-38.1	-178.1	-56.1	176.4	0	0	0	110.6	K617 L620 I654 F684 N685 M686 D687	K617-I689 HydrophobicContact CG-CG2 3.75Å; L620-I689 HydrophobicContact CD1-CD1 3.67Å; L620-I689 HydrophobicContact CD1-CG2 4.1Å; I654-I689 HydrophobicContact CB-CD1 4.31Å; I654-I689 HydrophobicContact CD1-CD1 3.94Å; F684-I689 HydrophobicContact CB-CD1 3.78Å; F684-I689 HydrophobicContact CB-CG1 3.65Å; F684-I689 HydrophobicContact CD2-CG1 4.32Å; F684-I689 HydrophobicContact CG-CD1 4.47Å; F684-I689 HydrophobicContact CG-CG1 4.01Å; N685-I689 PolarHBondContact O-N 2.88Å; M686-I689 WeakPolarHBondContact O-CB 3.36Å; M686-I689 PolarHBondContact O-N 3.43Å; D687-I689 VanDerWaalsContact C-N 3.31Å; D687-I689 PolarHBondContact O-N 3.09Å
690	F	48.9	Very low	42.1	Very low	52 Å²	52	84.9 Å²	84.9	23%	0.228	45%	0.451	C	S	.	.	H	α-helix	trans	-93.8	-38.6	-174.9	-69.6	-74.4	0	0	0	113.9	L620 R621 M686 N692 S693	L620-F690 HydrophobicContact CB-CZ 4.04Å; R621-F690 HydrophobicContact CG-CE1 3.92Å; M686-F690 HydrophobicContact CE-CE2 3.83Å; M686-F690 VanDerWaalsContact O-CD2 3.29Å; M686-F690 WeakPolarHBondContact O-CD2 3.1Å; M686-F690 PolarHBondContact O-N 2.88Å; M686-F690 HydrophobicContact SD-CE2 4.31Å; F690-N692 VanDerWaalsContact C-N 3.28Å; F690-N692 PolarHBondContact O-N 3.49Å; F690-S693 VanDerWaalsContact O-CB 3.3Å; F690-S693 WeakPolarHBondContact O-CB 3.44Å; F690-S693 PolarHBondContact O-N 2.6Å
691	N	52.9	Low	41.4	Very low	95 Å²	95	88 Å²	88	51%	0.508	47%	0.468	S	S	.	.	H	α-helix	trans	-68	-26.2	-172.9	-66.5	-15.3	0	0	0	113.5	D687 S693	D687-N691 WeakPolarHBondContact O-CB 3.39Å; D687-N691 PolarHBondContact O-N 3.09Å; D687-N691 PolarHBondContact O-ND2 2.92Å; N691-S693 PolarHBondContact O-N 3.08Å; N691-S693 VanDerWaalsContact O-N 3.15Å
692	N	43.9	Very low	40.5	Very low	121 Å²	121	94.9 Å²	94.9	65%	0.647	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-1.8	172.8	-73.7	-68.5	0	0	0	114	E688 F690	E688-N692 PolarHBondContact O-ND2 2.99Å; F690-N692 VanDerWaalsContact C-N 3.28Å; F690-N692 PolarHBondContact O-N 3.49Å
693	S	37.2	Very low	39.5	Very low	59 Å²	59	102 Å²	102	41%	0.413	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-1	-178.5	-167	0	0	0	0	114.5	R621 F690 N691	R621-S693 PolarHBondContact NH2-OG 3.36Å; F690-S693 VanDerWaalsContact O-CB 3.3Å; F690-S693 WeakPolarHBondContact O-CB 3.44Å; F690-S693 PolarHBondContact O-N 2.6Å; N691-S693 PolarHBondContact O-N 3.08Å; N691-S693 VanDerWaalsContact O-N 3.15Å
694	L	30.5	Very low	38.4	Very low	135 Å²	135	107.4 Å²	107.4	71%	0.707	57%	0.573	S	S	*	*	S	Bend	trans	-100.6	-22.6	-172.9	-88.8	159.6	0	0	0	114.9
695	N	31.6	Very low	37.6	Very low	147 Å²	147	113.6 Å²	113.6	79%	0.786	61%	0.607	S	S	*	*	S	Bend	trans	-96.2	3.5	-169.7	-70.1	0.4	0	0	0	115.3
696	H	29.4	Very low	36.7	Very low	178 Å²	178	116.3 Å²	116.3	82%	0.824	63%	0.626	S	S	*	*	S	Bend	trans	-134.9	8	-167.8	-114.9	-61.5	0	0	0	118.5
697	T	26.3	Very low	35.7	Very low	112 Å²	112	122.5 Å²	122.5	69%	0.687	66%	0.655	S	S	*	*	S	Bend	trans	-152.6	92.3	168.5	44.6	0	0	0	0	111.8
698	F	25.5	Very low	34.7	Very low	210 Å²	210	123.6 Å²	123.6	92%	0.921	67%	0.665	S	S	*	*			trans	-164.5	44.3	155.1	-99.8	-57.8	0	0	0	113.3	N700	F698-N700 PolarHBondContact O-N 3.41Å
699	T	26.8	Very low	33.7	Very low	135 Å²	135	126.5 Å²	126.5	83%	0.828	69%	0.691	S	S	*	*			trans	-87.1	78.6	168.1	53.2	0	0	0	0	110.7
700	N	28.9	Very low	32.6	Very low	144 Å²	144	133.9 Å²	133.9	77%	0.77	73%	0.729	S	S	*	*	S	Bend	trans	-165.7	120.2	157.8	-99.8	-25	0	0	0	112.2	F698	F698-N700 PolarHBondContact O-N 3.41Å
701	S	28.3	Very low	31.6	Very low	95 Å²	95	135.7 Å²	135.7	66%	0.664	75%	0.748	S	S	*	*			trans	29.8	121.1	151.8	61.7	0	0	0	0	120.8
702	N	28.8	Very low	30.5	Very low	146 Å²	146	137.5 Å²	137.5	78%	0.781	76%	0.758	S	S	*	*			trans	61.9	90.7	145.6	-54.5	-3.2	0	0	0	117.6
703	D	31	Very low	29.7	Very low	170 Å²	170	140.3 Å²	140.3	91%	0.909	77%	0.77	S	S	*	*				-152.8	122.1	118.5	-98.1	-30.2	0	0	0	109.6
704	N	30.6	Very low	29.1	Very low	152 Å²	152	145.4 Å²	145.4	81%	0.813	79%	0.79	S	S	*	*			trans	-91.1	116.9	177.4	-62.5	-59.5	0	0	0	108.7
705	D	33.3	Very low	29	Very low	152 Å²	152	145.9 Å²	145.9	81%	0.813	79%	0.792	S	S	*	*	S	Bend	trans	178.5	-17.9	151.4	-97.9	-19.8	0	0	0	113.6
706	V	32.2	Very low	28.7	Very low	135 Å²	135	145.3 Å²	145.3	82%	0.818	79%	0.789	S	S	*	*	S	Bend	trans	-99.5	-13.6	-167.2	-171.9	0	0	0	0	115.1	T708	V706-T708 PolarHBondContact O-N 3.43Å
707	Q	29.2	Very low	28.9	Very low	181 Å²	181	144 Å²	144	85%	0.846	79%	0.788	S	S	*	*	G	3₁₀ helix	trans	-76	-14	-173.9	-74.6	-170.4	-23.5	0	0	115.5	S709	Q707-S709 VanDerWaalsContact C-N 3.29Å; Q707-S709 PolarHBondContact O-N 2.88Å; Q707-S709 VanDerWaalsContact O-N 3.14Å
708	T	30.2	Very low	28.9	Very low	115 Å²	115	147.4 Å²	147.4	71%	0.706	79%	0.793	S	S	*	*	G	3₁₀ helix	trans	-80.1	6.7	-164.7	-29.9	0	0	0	0	115.5	V706	V706-T708 PolarHBondContact O-N 3.43Å
709	S	31	Very low	29.2	Very low	111 Å²	111	145.5 Å²	145.5	78%	0.776	79%	0.793	S	S	*	*	G	3₁₀ helix	trans	-121.1	0.7	-173	-73	0	0	0	0	116.3	Q707	Q707-S709 VanDerWaalsContact C-N 3.29Å; Q707-S709 PolarHBondContact O-N 2.88Å; Q707-S709 VanDerWaalsContact O-N 3.14Å
710	L	28.3	Very low	29.3	Very low	167 Å²	167	147.5 Å²	147.5	87%	0.874	79%	0.793	S	S	*	*	S	Bend	trans	-123.4	-0.8	-176.6	-83.2	161.3	0	0	0	114.9	N712	L710-N712 PolarHBondContact O-N 3.5Å
711	S	27.4	Very low	29.5	Very low	89 Å²	89	149.9 Å²	149.9	62%	0.622	80%	0.799	S	S	*	*	S	Bend	trans	-83.9	-2.4	-176.1	56.3	0	0	0	0	115.8
712	N	29.2	Very low	29.4	Very low	133 Å²	133	153.5 Å²	153.5	71%	0.711	81%	0.81	S	S	*	*	S	Bend	trans	-112.4	21.1	-159.9	-67.6	-2.6	0	0	0	115.4	L710	L710-N712 PolarHBondContact O-N 3.5Å
713	M	27.4	Very low	29.3	Very low	181 Å²	181	152.1 Å²	152.1	89%	0.892	81%	0.811	S	S	*	*			trans	-135.2	44.3	177.9	-77.1	-164.1	68.8	0	0	114.5
714	I	25.6	Very low	29.1	Very low	165 Å²	165	150.8 Å²	150.8	85%	0.846	81%	0.805	S	S	*	*			trans	-132.7	95.4	161.1	-55.3	179	0	0	0	108.7
715	I	27.8	Very low	28.9	Very low	146 Å²	146	150.5 Å²	150.5	75%	0.749	80%	0.803	S	S	*	*			trans	-142.8	108.6	168.6	-62.4	-175.7	0	0	0	108.4
716	N	26.5	Very low	28.8	Very low	135 Å²	135	151.4 Å²	151.4	72%	0.722	80%	0.802	S	S	*	*			trans	63.9	160.4	151.1	-62.9	20.5	0	0	0	118.8
717	D	31.9	Very low	28.5	Very low	149 Å²	149	151.9 Å²	151.9	80%	0.797	80%	0.8	S	S	*	*			cis	-127.2	171	7.8	-103.9	-48.7	0	0	0	113.3
718	K	26.5	Very low	28.3	Very low	185 Å²	185	151 Å²	151	80%	0.804	80%	0.801	S	S	*	*			trans	-90.2	161.1	169.8	-58.4	176.9	-179.7	-179.2	0	110.6
719	D	32.8	Very low	28.3	Very low	169 Å²	169	153.3 Å²	153.3	90%	0.904	81%	0.807	S	S	*	*				-167.7	154.9	120.5	-100.9	-19	0	0	0	111.9
720	E	28.7	Very low	28	Very low	177 Å²	177	151.6 Å²	151.6	83%	0.827	80%	0.8	S	S	*	*			trans	-93.5	154.3	179.9	-58.1	179.4	137.5	0	0	111.4
721	H	32	Very low	28.1	Very low	194 Å²	194	149.5 Å²	149.5	90%	0.898	80%	0.796	S	S	*	*				-170	121.4	128.4	-103.8	-61.2	0	0	0	112.2
722	L	27.8	Very low	28.4	Very low	171 Å²	171	149.4 Å²	149.4	90%	0.895	79%	0.788	S	S	*	*			trans	-81.4	139.4	167.9	-79.6	156.1	0	0	0	111.1
723	S	25.1	Very low	28.7	Very low	117 Å²	117	145.2 Å²	145.2	82%	0.818	77%	0.769	S	S	*	*			trans	-154.6	147.5	144.3	56.7	0	0	0	0	111
724	N	27.3	Very low	29.1	Very low	143 Å²	143	138.2 Å²	138.2	77%	0.765	74%	0.736	S	S	*	*			trans	-67.3	157.5	-171.7	-49.5	-36.1	0	0	0	112.7
725	N	27	Very low	29.5	Very low	146 Å²	146	133.5 Å²	133.5	78%	0.781	71%	0.712	S	S	*	*				-179.4	164.7	117	-90.1	-21.2	0	0	0	113.7
726	H	30	Very low	29.8	Very low	171 Å²	171	129.2 Å²	129.2	79%	0.792	69%	0.691	S	S	*	*			trans	77.7	98.6	165.2	-72	-66.3	0	0	0	119.9
727	D	26.5	Very low	30.4	Very low	144 Å²	144	127 Å²	127	77%	0.77	67%	0.672	S	S	*	*			trans	-43.3	134.3	138.3	-45.6	-103.3	0	0	0	112.6
728	D	26.3	Very low	30.6	Very low	164 Å²	164	121.9 Å²	121.9	88%	0.877	65%	0.645	S	S	*	*			trans	-167.8	102.2	140.3	-110.7	-26	0	0	0	109.2	A730	D728-A730 PolarHBondContact O-N 3.49Å; D728-A730 VanDerWaalsContact O-N 3.08Å
729	I	28.6	Very low	30.9	Very low	163 Å²	163	117.5 Å²	117.5	84%	0.836	63%	0.625	S	S	*	*			trans	-83.2	93.2	-170.6	-55.9	179.8	0	0	0	110.8
730	A	25.8	Very low	30.9	Very low	75 Å²	75	113 Å²	113	62%	0.62	60%	0.604	S	S	*	*			trans	-59.9	148.7	171.3	0	0	0	0	0	112.5	D728 I732	D728-A730 PolarHBondContact O-N 3.49Å; D728-A730 VanDerWaalsContact O-N 3.08Å; A730-I732 PolarHBondContact O-N 3.13Å; A730-I732 VanDerWaalsContact O-N 3.16Å
731	P	30.9	Very low	31.2	Very low	122 Å²	122	107.7 Å²	107.7	79%	0.792	58%	0.578	S	S	*	*			trans	-67.5	114.9	-178.6	26.9	-34.2	0	0	0	111.7	S733	P731-S733 PolarHBondContact O-N 3.24Å; P731-S733 VanDerWaalsContact O-N 3.11Å
732	I	33.3	Very low	31.4	Very low	87 Å²	87	100.8 Å²	100.8	45%	0.446	55%	0.547	S	S	.	.			trans	-44.2	113.5	-177.6	-53.7	178.9	0	0	0	111.4	A730 D736 R737	A730-I732 PolarHBondContact O-N 3.13Å; A730-I732 VanDerWaalsContact O-N 3.16Å; I732-D736 HydrophobicContact CG2-CB 3.61Å; I732-R737 HydrophobicContact CG2-CB 4.45Å; I732-R737 HydrophobicContact CG2-CG 3.96Å; I732-R737 PolarHBondContact O-NE 2.87Å; I732-R737 PolarHBondContact O-NH2 3.09Å
733	S	36	Very low	31.8	Very low	45 Å²	45	98 Å²	98	32%	0.315	53%	0.532	S	S	.	.			trans	-66.9	170.9	-179.1	83.1	0	0	0	0	111.5	P731 I735 D736 R737	P731-S733 PolarHBondContact O-N 3.24Å; P731-S733 VanDerWaalsContact O-N 3.11Å; S733-I735 PolarHBondContact O-N 3.45Å; S733-I735 PolarHBondContact OG-N 3.06Å; S733-I735 VanDerWaalsContact OG-N 3.17Å; S733-D736 VanDerWaalsContact CB-OD2 3.28Å; S733-D736 WeakPolarHBondContact CB-OD2 3.49Å; S733-D736 PolarHBondContact O-N 3.47Å; S733-D736 PolarHBondContact OG-N 3.48Å; S733-D736 VanDerWaalsContact OG-N 3.12Å; S733-D736 PolarHBondContact OG-OD2 2.88Å; S733-R737 WeakPolarHBondContact O-CB 3.48Å; S733-R737 PolarHBondContact O-N 3.45Å
734	V	35.1	Very low	32.2	Very low	34 Å²	34	99 Å²	99	21%	0.206	53%	0.528	C	S	.	.	H	α-helix	trans	-63.4	-32	172.4	176.8	0	0	0	0	111.3	D275 R737 L738	D275-V734 HydrophobicContact CB-CG2 3.91Å; V734-R737 PolarHBondContact O-N 3.27Å; V734-L738 HydrophobicContact CG1-CD1 4.37Å; V734-L738 WeakPolarHBondContact O-CD1 3.36Å; V734-L738 WeakPolarHBondContact O-CG 3.29Å; V734-L738 PolarHBondContact O-N 2.91Å
735	I	33.4	Very low	32.5	Very low	67 Å²	67	96.8 Å²	96.8	34%	0.344	52%	0.516	S	S	.	.	H	α-helix	trans	-67.8	-37	175.4	-64.8	170.4	0	0	0	110.7	S733 L738 K739	S733-I735 PolarHBondContact O-N 3.45Å; S733-I735 PolarHBondContact OG-N 3.06Å; S733-I735 VanDerWaalsContact OG-N 3.17Å; I735-L738 WeakPolarHBondContact O-CB 2.96Å; I735-L738 PolarHBondContact O-N 2.84Å; I735-K739 PolarHBondContact O-N 3.45Å
736	D	34.5	Very low	32.9	Very low	55 Å²	55	97.1 Å²	97.1	29%	0.294	52%	0.518	S	S	.	.	H	α-helix	trans	-81.7	-28.6	179.4	-52.4	-58.5	0	0	0	111.7	I732 S733 L738 K739 V740	I732-D736 HydrophobicContact CG2-CB 3.61Å; S733-D736 VanDerWaalsContact CB-OD2 3.28Å; S733-D736 WeakPolarHBondContact CB-OD2 3.49Å; S733-D736 PolarHBondContact O-N 3.47Å; S733-D736 PolarHBondContact OG-N 3.48Å; S733-D736 VanDerWaalsContact OG-N 3.12Å; S733-D736 PolarHBondContact OG-OD2 2.88Å; D736-L738 VanDerWaalsContact C-N 3.25Å; D736-L738 PolarHBondContact O-N 3.45Å; D736-K739 PolarHBondContact O-N 3.13Å; D736-K739 VanDerWaalsContact O-N 3.15Å; D736-K739 WeakPolarHBondContact OD1-CE 3.39Å; D736-K739 IonicContact OD1-NZ 2.65Å; D736-K739 PolarHBondContact OD1-NZ 3.37Å; D736-V740 WeakPolarHBondContact O-CG2 3.46Å; D736-V740 PolarHBondContact O-N 3.05Å
737	R	38.3	Very low	32.9	Very low	89 Å²	89	99.3 Å²	99.3	34%	0.336	52%	0.521	S	S	.	.	H	α-helix	trans	-65.9	-25.6	165.1	-99.9	174	-86.1	180	-7.2	113.2	L270 I732 S733 V734	L270-R737 HydrophobicContact CD1-CB 4.31Å; I732-R737 HydrophobicContact CG2-CB 4.45Å; I732-R737 HydrophobicContact CG2-CG 3.96Å; I732-R737 PolarHBondContact O-NE 2.87Å; I732-R737 PolarHBondContact O-NH2 3.09Å; S733-R737 WeakPolarHBondContact O-CB 3.48Å; S733-R737 PolarHBondContact O-N 3.45Å; V734-R737 PolarHBondContact O-N 3.27Å
738	L	35.9	Very low	33.1	Very low	42 Å²	42	102 Å²	102	22%	0.22	53%	0.528	C	S	.	.	H	α-helix	trans	-74.4	-30.9	169.3	-79	159.5	0	0	0	112.3	L270 W481 L664 V734 I735 D736	L270-L738 HydrophobicContact CD2-CD2 3.42Å; L270-L738 VanDerWaalsContact CD2-CD2 3.42Å; L270-L738 HydrophobicContact CD2-CG 3.84Å; W481-L738 HydrophobicContact CH2-CD2 3.64Å; W481-L738 HydrophobicContact CZ2-CD2 3.53Å; L664-L738 HydrophobicContact CD1-CB 4.48Å; V734-L738 HydrophobicContact CG1-CD1 4.37Å; V734-L738 WeakPolarHBondContact O-CD1 3.36Å; V734-L738 WeakPolarHBondContact O-CG 3.29Å; V734-L738 PolarHBondContact O-N 2.91Å; I735-L738 WeakPolarHBondContact O-CB 2.96Å; I735-L738 PolarHBondContact O-N 2.84Å; D736-L738 VanDerWaalsContact C-N 3.25Å; D736-L738 PolarHBondContact O-N 3.45Å
739	K	32.9	Very low	33.2	Very low	92 Å²	92	101.6 Å²	101.6	40%	0.4	52%	0.522	S	S	.	.	H	α-helix	trans	-74.3	-43.7	175	-65.2	170.9	-169.8	162.8	0	113.1	L664 I735 D736 F741 H742 D743	L664-K739 HydrophobicContact CD2-CG 4.2Å; I735-K739 PolarHBondContact O-N 3.45Å; D736-K739 PolarHBondContact O-N 3.13Å; D736-K739 VanDerWaalsContact O-N 3.15Å; D736-K739 WeakPolarHBondContact OD1-CE 3.39Å; D736-K739 IonicContact OD1-NZ 2.65Å; D736-K739 PolarHBondContact OD1-NZ 3.37Å; K739-F741 PolarHBondContact O-N 3.1Å; K739-H742 WeakPolarHBondContact O-CA 3.24Å; K739-H742 WeakPolarHBondContact O-CB 3.25Å; K739-H742 PolarHBondContact O-N 3.39Å; K739-D743 PolarHBondContact O-N 3.01Å
740	V	34.3	Very low	33.1	Very low	76 Å²	76	103.7 Å²	103.7	46%	0.461	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-10.7	-178.6	170.5	0	0	0	0	113.4	D736	D736-V740 WeakPolarHBondContact O-CG2 3.46Å; D736-V740 PolarHBondContact O-N 3.05Å
741	F	34.6	Very low	33.3	Very low	64 Å²	64	106 Å²	106	28%	0.281	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-11.2	169	-94.9	-76.3	0	0	0	114.5	L270 K739	L270-F741 HydrophobicContact CD1-CD2 4.18Å; L270-F741 HydrophobicContact CD1-CE2 3.96Å; K739-F741 PolarHBondContact O-N 3.1Å
742	H	36	Very low	33	Very low	50 Å²	50	111.2 Å²	111.2	23%	0.231	54%	0.536	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-27.2	172.3	-91.5	-49.9	0	0	0	112.7	K739 L744 D745	K739-H742 WeakPolarHBondContact O-CA 3.24Å; K739-H742 WeakPolarHBondContact O-CB 3.25Å; K739-H742 PolarHBondContact O-N 3.39Å; H742-L744 PolarHBondContact O-N 3.05Å; H742-D745 IonicContact CE1-OD2 3.38Å; H742-D745 IonicContact CG-OD2 2.8Å; H742-D745 IonicContact ND1-OD2 3.42Å; H742-D745 PolarHBondContact ND1-OD2 3.02Å; H742-D745 WeakPolarHBondContact O-CB 3.3Å; H742-D745 PolarHBondContact O-N 2.95Å
743	D	36.9	Very low	32.8	Very low	112 Å²	112	113.4 Å²	113.4	60%	0.599	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	19.7	176.1	-52.4	-41.6	0	0	0	113.7	K739	K739-D743 PolarHBondContact O-N 3.01Å
744	L	33.1	Very low	32.5	Very low	139 Å²	139	119.4 Å²	119.4	73%	0.728	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.6	0.6	173.5	-69.3	174.6	0	0	0	112.7	H742	H742-L744 PolarHBondContact O-N 3.05Å
745	D	33.6	Very low	32.2	Very low	95 Å²	95	124.8 Å²	124.8	51%	0.508	61%	0.607	S	S	.	*			trans	-83.2	-9.6	-179	-66.9	-33.6	0	0	0	113.3	H742 Y747	H742-D745 IonicContact CE1-OD2 3.38Å; H742-D745 IonicContact CG-OD2 2.8Å; H742-D745 IonicContact ND1-OD2 3.42Å; H742-D745 PolarHBondContact ND1-OD2 3.02Å; H742-D745 WeakPolarHBondContact O-CB 3.3Å; H742-D745 PolarHBondContact O-N 2.95Å; D745-Y747 VanDerWaalsContact C-N 3.29Å; D745-Y747 PolarHBondContact O-N 3.26Å
746	D	34.5	Very low	32	Very low	154 Å²	154	129.5 Å²	129.5	82%	0.824	63%	0.629	S	S	*	*			trans	-75	67	-177.6	-84.1	-20.8	0	0	0	113.5
747	Y	30.5	Very low	31.5	Very low	216 Å²	216	132.8 Å²	132.8	85%	0.847	66%	0.657	S	S	*	*			trans	-142.5	37.2	168.6	-101.9	-75.4	0	0	0	113.5	D745 E749	D745-Y747 VanDerWaalsContact C-N 3.29Å; D745-Y747 PolarHBondContact O-N 3.26Å; Y747-E749 PolarHBondContact O-N 3.15Å
748	E	30.5	Very low	30.9	Very low	200 Å²	200	132.7 Å²	132.7	94%	0.935	67%	0.669	S	S	*	*			trans	-75.4	62.9	168.6	-73.5	-155.4	148.9	0	0	113
749	E	28.1	Very low	30.4	Very low	157 Å²	157	138 Å²	138	73%	0.734	69%	0.691	S	S	*	*			trans	-138.8	142.6	161.3	-145.8	173.9	-142.4	0	0	110.3	Y747	Y747-E749 PolarHBondContact O-N 3.15Å
750	Y	26.9	Very low	30.1	Very low	206 Å²	206	144.8 Å²	144.8	81%	0.808	72%	0.716	S	S	*	*	S	Bend	trans	67.1	85.8	-170.5	-59	-92.9	0	0	0	117.3
751	S	29.2	Very low	29.8	Very low	125 Å²	125	149.2 Å²	149.2	87%	0.874	73%	0.725	S	S	*	*				-176.7	135.8	121.2	-81	0	0	0	0	112.4
752	R	25.7	Very low	29.4	Very low	230 Å²	230	149.1 Å²	149.1	87%	0.868	73%	0.732	S	S	*	*			trans	-98.9	140	163.5	-74.4	-174.4	178.9	178.8	0.8	109.2	E754	R752-E754 PolarHBondContact O-N 3.39Å
753	P	29.6	Very low	29	Very low	133 Å²	133	152.3 Å²	152.3	86%	0.864	76%	0.758	S	S	*	*	S	Bend	trans	-92.5	64.4	-172.9	37.6	-36.9	0	0	0	113
754	E	28.7	Very low	28.6	Very low	172 Å²	172	152.9 Å²	152.9	80%	0.804	76%	0.757	S	S	*	*			trans	-129.1	153.8	166.9	-69.4	174.9	-140.6	0	0	108.1	R752	R752-E754 PolarHBondContact O-N 3.39Å
755	D	29.5	Very low	28.4	Very low	146 Å²	146	149.1 Å²	149.1	78%	0.781	75%	0.746	S	S	*	*	S	Bend	trans	58.8	77.6	-173.2	-64.5	-22.7	0	0	0	117.8
756	M	28	Very low	28.2	Very low	167 Å²	167	148.9 Å²	148.9	82%	0.823	75%	0.75	S	S	*	*			trans	-158	52.9	146.8	-96	-46.4	127.6	0	0	112.2	S758	M756-S758 VanDerWaalsContact C-N 3.28Å; M756-S758 PolarHBondContact O-N 2.93Å
757	S	24.7	Very low	27.8	Very low	124 Å²	124	148.6 Å²	148.6	87%	0.867	75%	0.748	S	S	*	*			trans	-84.7	20.2	-179.5	50.7	0	0	0	0	115.4
758	S	25.4	Very low	27.7	Very low	86 Å²	86	146 Å²	146	60%	0.601	74%	0.744	S	S	*	*			trans	-159.6	83.5	-179.4	59.8	0	0	0	0	114.3	M756	M756-S758 VanDerWaalsContact C-N 3.28Å; M756-S758 PolarHBondContact O-N 2.93Å
759	F	25.7	Very low	27.8	Very low	155 Å²	155	143.9 Å²	143.9	68%	0.68	73%	0.728	S	S	*	*			trans	-156.9	90.8	149.1	-92.5	-57	0	0	0	111.4	Y761	F759-Y761 HydrophobicContact CB-CD2 4.04Å; F759-Y761 HydrophobicContact CB-CE2 4.07Å; F759-Y761 AromaticContact CD1-CD2 3.95Å; F759-Y761 HydrophobicContact CD1-CD2 3.95Å; F759-Y761 AromaticContact CD1-CE2 3.2Å; F759-Y761 HydrophobicContact CD1-CE2 3.2Å; F759-Y761 AromaticContact CD1-CZ 3.75Å; F759-Y761 AromaticContact CE1-CE2 3.74Å; F759-Y761 HydrophobicContact CE1-CE2 3.74Å; F759-Y761 AromaticContact CE1-CZ 3.89Å; F759-Y761 WeakPolarHBondContact CE1-OH 3.43Å; F759-Y761 HydrophobicContact CG-CD2 4.18Å; F759-Y761 AromaticContact CG-CE2 3.68Å; F759-Y761 HydrophobicContact CG-CE2 3.68Å
760	Y	26.6	Very low	27.9	Very low	233 Å²	233	139.9 Å²	139.9	91%	0.914	72%	0.718	S	S	*	*			trans	-62.2	133.1	151.5	-83.3	-108.8	0	0	0	107.9
761	Y	28.5	Very low	28.4	Very low	170 Å²	170	135.2 Å²	135.2	67%	0.667	71%	0.707	S	S	*	*			trans	-128.2	139.8	166.9	-96.4	-63.5	0	0	0	113.9	F759	F759-Y761 HydrophobicContact CB-CD2 4.04Å; F759-Y761 HydrophobicContact CB-CE2 4.07Å; F759-Y761 AromaticContact CD1-CD2 3.95Å; F759-Y761 HydrophobicContact CD1-CD2 3.95Å; F759-Y761 AromaticContact CD1-CE2 3.2Å; F759-Y761 HydrophobicContact CD1-CE2 3.2Å; F759-Y761 AromaticContact CD1-CZ 3.75Å; F759-Y761 AromaticContact CE1-CE2 3.74Å; F759-Y761 HydrophobicContact CE1-CE2 3.74Å; F759-Y761 AromaticContact CE1-CZ 3.89Å; F759-Y761 WeakPolarHBondContact CE1-OH 3.43Å; F759-Y761 HydrophobicContact CG-CD2 4.18Å; F759-Y761 AromaticContact CG-CE2 3.68Å; F759-Y761 HydrophobicContact CG-CE2 3.68Å
762	S	25	Very low	28.7	Very low	61 Å²	61	132.6 Å²	132.6	43%	0.427	69%	0.685	S	S	.	*			trans	-95.6	177.3	-171.9	52.4	0	0	0	0	111.6	E764 A765	S762-E764 WeakPolarHBondContact CB-OE2 3.31Å; S762-E764 PolarHBondContact O-N 2.71Å; S762-E764 PolarHBondContact OG-OE2 2.92Å; S762-A765 PolarHBondContact O-N 3.37Å
763	P	28.3	Very low	29.2	Very low	117 Å²	117	128 Å²	128	76%	0.76	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-57	-17.2	-176.9	-28.3	37.9	0	0	0	116.2	A765	P763-A765 PolarHBondContact O-N 3.38Å
764	E	29.1	Very low	29.5	Very low	124 Å²	124	128.4 Å²	128.4	58%	0.579	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-64.5	-18.1	177.2	-65.3	74.9	-161.6	0	0	114	S762 C766 L767	S762-E764 WeakPolarHBondContact CB-OE2 3.31Å; S762-E764 PolarHBondContact O-N 2.71Å; S762-E764 PolarHBondContact OG-OE2 2.92Å; E764-C766 PolarHBondContact O-N 3.21Å; E764-C766 VanDerWaalsContact O-N 3.07Å; E764-L767 PolarHBondContact O-N 3.3Å
765	A	28.8	Very low	29.8	Very low	60 Å²	60	125.4 Å²	125.4	50%	0.496	65%	0.648	S	S	.	*	G	3₁₀ helix	trans	-60.3	-20.7	-178.3	0	0	0	0	0	114.1	S762 P763 L767	S762-A765 PolarHBondContact O-N 3.37Å; P763-A765 PolarHBondContact O-N 3.38Å; A765-L767 PolarHBondContact O-N 2.81Å
766	C	27.9	Very low	30.2	Very low	90 Å²	90	120.7 Å²	120.7	61%	0.608	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-72	1.4	177.4	-71.2	0	0	0	0	115.3	E764 Y769	E764-C766 PolarHBondContact O-N 3.21Å; E764-C766 VanDerWaalsContact O-N 3.07Å; C766-Y769 VanDerWaalsContact O-CD2 3.32Å; C766-Y769 WeakPolarHBondContact O-CD2 3.48Å
767	L	27.5	Very low	30.7	Very low	148 Å²	148	114.9 Å²	114.9	78%	0.775	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-96.1	1.3	-177.7	-73.6	168.9	0	0	0	115.7	E764 A765 Y769	E764-L767 PolarHBondContact O-N 3.3Å; A765-L767 PolarHBondContact O-N 2.81Å; L767-Y769 VanDerWaalsContact C-N 3.27Å; L767-Y769 PolarHBondContact O-N 3.37Å; L767-Y769 VanDerWaalsContact O-N 3.13Å
768	Q	27.6	Very low	31.4	Very low	161 Å²	161	112.6 Å²	112.6	75%	0.752	58%	0.579	S	S	*	*			trans	-85.2	39.7	179.4	-65.5	-163.4	-3	0	0	115	S770	Q768-S770 PolarHBondContact O-N 2.87Å
769	Y	32.2	Very low	31.9	Very low	156 Å²	156	109.9 Å²	109.9	61%	0.612	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-5.8	-179.4	-88.4	-83	0	0	0	115.7	C766 L767 N771 V772 E773	C766-Y769 VanDerWaalsContact O-CD2 3.32Å; C766-Y769 WeakPolarHBondContact O-CD2 3.48Å; L767-Y769 VanDerWaalsContact C-N 3.27Å; L767-Y769 PolarHBondContact O-N 3.37Å; L767-Y769 VanDerWaalsContact O-N 3.13Å; Y769-N771 PolarHBondContact O-N 3.3Å; Y769-N771 VanDerWaalsContact O-N 3.1Å; Y769-V772 HydrophobicContact CD1-CB 4.02Å; Y769-V772 HydrophobicContact CD1-CG2 3.78Å; Y769-V772 HydrophobicContact CE1-CG2 4.18Å; Y769-V772 WeakPolarHBondContact O-CA 3.42Å; Y769-V772 WeakPolarHBondContact O-CB 3.46Å; Y769-V772 PolarHBondContact O-N 3.29Å; Y769-E773 PolarHBondContact O-N 3.26Å
770	S	31.9	Very low	32.1	Very low	74 Å²	74	103.1 Å²	103.1	52%	0.517	53%	0.531	S	S	.	.	H	α-helix	trans	-59.1	-24.5	-179.2	57	0	0	0	0	114.6	Q768 K774	Q768-S770 PolarHBondContact O-N 2.87Å; S770-K774 PolarHBondContact O-N 2.75Å
771	N	36	Very low	32.5	Very low	108 Å²	108	95.5 Å²	95.5	58%	0.578	51%	0.506	S	S	*	.	H	α-helix	trans	-76.6	-29.8	172.9	-73.5	-30.4	0	0	0	112.8	Y769 H775	Y769-N771 PolarHBondContact O-N 3.3Å; Y769-N771 VanDerWaalsContact O-N 3.1Å; N771-H775 WeakPolarHBondContact O-CB 3.37Å; N771-H775 PolarHBondContact O-N 3.26Å
772	V	36.7	Very low	32.7	Very low	70 Å²	70	90.1 Å²	90.1	42%	0.424	50%	0.501	S	S	.	.	H	α-helix	trans	-74.3	-39.9	176.4	-177.1	0	0	0	0	110.4	Y769 K774 H775 L776	Y769-V772 HydrophobicContact CD1-CB 4.02Å; Y769-V772 HydrophobicContact CD1-CG2 3.78Å; Y769-V772 HydrophobicContact CE1-CG2 4.18Å; Y769-V772 WeakPolarHBondContact O-CA 3.42Å; Y769-V772 WeakPolarHBondContact O-CB 3.46Å; Y769-V772 PolarHBondContact O-N 3.29Å; V772-K774 VanDerWaalsContact C-N 3.35Å; V772-K774 PolarHBondContact O-N 2.65Å; V772-H775 PolarHBondContact O-N 3.32Å; V772-H775 VanDerWaalsContact O-N 3.11Å; V772-L776 HydrophobicContact CG1-CD1 4.09Å; V772-L776 HydrophobicContact CG1-CG 4.38Å; V772-L776 WeakPolarHBondContact O-CG 3.07Å; V772-L776 PolarHBondContact O-N 3.49Å
773	E	34.4	Very low	33	Very low	134 Å²	134	92 Å²	92	63%	0.626	51%	0.514	S	S	*	.	H	α-helix	trans	-61	-42.8	172.3	-65.8	-177.5	128	0	0	111.7	Y769 H775 L776 A777	Y769-E773 PolarHBondContact O-N 3.26Å; E773-H775 VanDerWaalsContact C-N 3.34Å; E773-H775 PolarHBondContact O-N 3.08Å; E773-L776 PolarHBondContact O-N 3.4Å; E773-A777 VanDerWaalsContact O-CB 3.25Å; E773-A777 WeakPolarHBondContact O-CB 3.43Å; E773-A777 PolarHBondContact O-N 3.42Å
774	K	37	Very low	32.9	Very low	141 Å²	141	96.5 Å²	96.5	61%	0.613	52%	0.516	S	S	*	.	H	α-helix	trans	-58.7	-43.6	169.8	-89.2	-177.5	174	177.2	0	112.4	S770 V772 A777 N778	S770-K774 PolarHBondContact O-N 2.75Å; V772-K774 VanDerWaalsContact C-N 3.35Å; V772-K774 PolarHBondContact O-N 2.65Å; K774-A777 PolarHBondContact O-N 3.1Å; K774-N778 VanDerWaalsContact O-CB 3.31Å; K774-N778 WeakPolarHBondContact O-CB 3.41Å; K774-N778 PolarHBondContact O-N 3.48Å; K774-N778 PolarHBondContact O-OD1 3.16Å
775	H	35.5	Very low	32.9	Very low	108 Å²	108	97.9 Å²	97.9	50%	0.5	53%	0.527	S	S	.	.	H	α-helix	trans	-64.2	-47.5	179.5	-141	85.6	0	0	0	111.1	N771 V772 E773 A777 N778 L779	N771-H775 WeakPolarHBondContact O-CB 3.37Å; N771-H775 PolarHBondContact O-N 3.26Å; V772-H775 PolarHBondContact O-N 3.32Å; V772-H775 VanDerWaalsContact O-N 3.11Å; E773-H775 VanDerWaalsContact C-N 3.34Å; E773-H775 PolarHBondContact O-N 3.08Å; H775-A777 PolarHBondContact O-N 2.92Å; H775-N778 WeakPolarHBondContact O-CB 3.32Å; H775-N778 PolarHBondContact O-N 3.04Å; H775-L779 VanDerWaalsContact O-CG 3.3Å; H775-L779 WeakPolarHBondContact O-CG 3.17Å; H775-L779 PolarHBondContact O-N 2.91Å
776	L	37.1	Very low	32.9	Very low	48 Å²	48	101.5 Å²	101.5	25%	0.251	53%	0.534	S	S	.	.	H	α-helix	trans	-62.5	-42.6	176.9	-69.1	170.9	0	0	0	112.3	V772 E773 N778 L779 G780 I781	V772-L776 HydrophobicContact CG1-CD1 4.09Å; V772-L776 HydrophobicContact CG1-CG 4.38Å; V772-L776 WeakPolarHBondContact O-CG 3.07Å; V772-L776 PolarHBondContact O-N 3.49Å; E773-L776 PolarHBondContact O-N 3.4Å; L776-N778 PolarHBondContact O-N 2.67Å; L776-L779 CarbonylContact O-C 3.6Å; L776-L779 PolarHBondContact O-N 2.77Å; L776-G780 PolarHBondContact O-N 3.21Å; L776-G780 VanDerWaalsContact O-N 3.13Å; L776-I781 HydrophobicContact CB-CB 4.34Å; L776-I781 HydrophobicContact CD2-CB 4.37Å; L776-I781 HydrophobicContact CD2-CD1 3.98Å; L776-I781 WeakPolarHBondContact O-CA 3.42Å; L776-I781 PolarHBondContact O-N 3.42Å
777	A	39.7	Very low	32.7	Very low	44 Å²	44	102.9 Å²	102.9	36%	0.364	55%	0.545	S	S	.	.	H	α-helix	trans	-62.3	-40.6	175.4	0	0	0	0	0	112.5	R116 E773 K774 H775 G780	R116-A777 PolarHBondContact NH1-O 2.94Å; E773-A777 VanDerWaalsContact O-CB 3.25Å; E773-A777 WeakPolarHBondContact O-CB 3.43Å; E773-A777 PolarHBondContact O-N 3.42Å; K774-A777 PolarHBondContact O-N 3.1Å; H775-A777 PolarHBondContact O-N 2.92Å; A777-G780 PolarHBondContact O-N 3.22Å; A777-G780 VanDerWaalsContact O-N 3.1Å
778	N	38.8	Very low	32.7	Very low	76 Å²	76	102.8 Å²	102.8	41%	0.406	55%	0.545	S	S	.	.	H	α-helix	trans	-63.1	-44.8	172.8	-75.9	-5.4	0	0	0	111.6	L120 K774 H775 L776 G780	L120-N778 HydrophobicContact CD1-CB 3.81Å; L120-N778 HydrophobicContact CD2-CB 3.78Å; L120-N778 HydrophobicContact CG-CB 4.46Å; K774-N778 VanDerWaalsContact O-CB 3.31Å; K774-N778 WeakPolarHBondContact O-CB 3.41Å; K774-N778 PolarHBondContact O-N 3.48Å; K774-N778 PolarHBondContact O-OD1 3.16Å; H775-N778 WeakPolarHBondContact O-CB 3.32Å; H775-N778 PolarHBondContact O-N 3.04Å; L776-N778 PolarHBondContact O-N 2.67Å; N778-G780 PolarHBondContact O-N 3.07Å
779	L	35.1	Very low	32.6	Very low	30 Å²	30	100 Å²	100	16%	0.157	54%	0.543	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	0.7	172.5	-63.5	-172.9	0	0	0	113.6	Y117 H775 L776 I781	Y117-L779 HydrophobicContact CD2-CD2 3.79Å; Y117-L779 HydrophobicContact CE2-CD1 4.4Å; Y117-L779 HydrophobicContact CE2-CD2 3.55Å; Y117-L779 HydrophobicContact CE2-CG 4.46Å; Y117-L779 HydrophobicContact CG-CD2 4.46Å; H775-L779 VanDerWaalsContact O-CG 3.3Å; H775-L779 WeakPolarHBondContact O-CG 3.17Å; H775-L779 PolarHBondContact O-N 2.91Å; L776-L779 CarbonylContact O-C 3.6Å; L776-L779 PolarHBondContact O-N 2.77Å; L779-I781 VanDerWaalsContact C-N 3.3Å; L779-I781 HydrophobicContact CB-CD1 4.39Å; L779-I781 HydrophobicContact CB-CG1 4.38Å; L779-I781 PolarHBondContact O-N 3.29Å
780	G	31.3	Very low	32.3	Very low	13 Å²	13	98.7 Å²	98.7	13%	0.134	55%	0.551	C	S	.	*	T	Hydrogen-bonded Turn	trans	84	-3.3	178.7	0	0	0	0	0	115.8	L776 A777 N778 G782	L776-G780 PolarHBondContact O-N 3.21Å; L776-G780 VanDerWaalsContact O-N 3.13Å; A777-G780 PolarHBondContact O-N 3.22Å; A777-G780 VanDerWaalsContact O-N 3.1Å; N778-G780 PolarHBondContact O-N 3.07Å; G780-G782 PolarHBondContact O-N 3Å
781	I	33.8	Very low	32	Very low	73 Å²	73	101.5 Å²	101.5	37%	0.374	57%	0.565	S	S	.	*			trans	-81.4	70.4	-178.9	-50.6	174.9	0	0	0	108.6	I113 L776 L779	I113-I781 HydrophobicContact CG2-CG1 4.39Å; L776-I781 HydrophobicContact CB-CB 4.34Å; L776-I781 HydrophobicContact CD2-CB 4.37Å; L776-I781 HydrophobicContact CD2-CD1 3.98Å; L776-I781 WeakPolarHBondContact O-CA 3.42Å; L776-I781 PolarHBondContact O-N 3.42Å; L779-I781 VanDerWaalsContact C-N 3.3Å; L779-I781 HydrophobicContact CB-CD1 4.39Å; L779-I781 HydrophobicContact CB-CG1 4.38Å; L779-I781 PolarHBondContact O-N 3.29Å
782	G	32.5	Very low	31.5	Very low	56 Å²	56	102.5 Å²	102.5	58%	0.577	57%	0.569	S	S	*	*			trans	-87.9	113.8	-179.1	0	0	0	0	0	112.7	G780 R784	G780-G782 PolarHBondContact O-N 3Å; G782-R784 PolarHBondContact O-N 2.67Å; G782-R784 VanDerWaalsContact O-N 3.09Å
783	S	31.6	Very low	30.9	Very low	100 Å²	100	106 Å²	106	70%	0.699	59%	0.585	S	S	*	*			trans	-68.8	100.5	167.4	48.9	0	0	0	0	110.5	L785	S783-L785 PolarHBondContact O-N 2.72Å
784	R	27	Very low	30.5	Very low	212 Å²	212	108.7 Å²	108.7	80%	0.8	59%	0.591	S	S	*	*			trans	-73.6	75.5	174	-173.1	174.6	174.2	161.1	-3.1	110.6	G782 E786	G782-R784 PolarHBondContact O-N 2.67Å; G782-R784 VanDerWaalsContact O-N 3.09Å; R784-E786 VanDerWaalsContact C-N 3.35Å; R784-E786 HydrophobicContact CG-CG 4.31Å; R784-E786 IonicContact CZ-OE1 2.75Å; R784-E786 IonicContact NE-OE1 3.28Å; R784-E786 PolarHBondContact NE-OE1 2.82Å; R784-E786 IonicContact NH2-OE1 2.92Å; R784-E786 PolarHBondContact NH2-OE1 3.28Å; R784-E786 PolarHBondContact O-N 2.75Å
785	L	29.6	Very low	30	Very low	153 Å²	153	107.1 Å²	107.1	80%	0.801	60%	0.595	S	S	*	*			trans	-72	88.2	168.8	-84.3	162.7	0	0	0	109.4	S783	S783-L785 PolarHBondContact O-N 2.72Å
786	E	26.9	Very low	29.5	Very low	136 Å²	136	112 Å²	112	64%	0.636	61%	0.611	S	S	*	*			trans	-72.1	124.4	161.5	-76.6	179	-175.3	0	0	108.8	R784 D788	R784-E786 VanDerWaalsContact C-N 3.35Å; R784-E786 HydrophobicContact CG-CG 4.31Å; R784-E786 IonicContact CZ-OE1 2.75Å; R784-E786 IonicContact NE-OE1 3.28Å; R784-E786 PolarHBondContact NE-OE1 2.82Å; R784-E786 IonicContact NH2-OE1 2.92Å; R784-E786 PolarHBondContact NH2-OE1 3.28Å; R784-E786 PolarHBondContact O-N 2.75Å; E786-D788 PolarHBondContact O-N 3.35Å; E786-D788 VanDerWaalsContact O-N 3.13Å
787	S	25.4	Very low	28.9	Very low	120 Å²	120	114.9 Å²	114.9	84%	0.839	63%	0.63	S	S	*	*			trans	-82.8	90.2	-169.2	56.8	0	0	0	0	111.1
788	D	27	Very low	28.3	Very low	146 Å²	146	119.9 Å²	119.9	78%	0.781	64%	0.644	S	S	*	*			trans	-143.6	143.5	162	-134.3	-37	0	0	0	114.5	E786 T790	E786-D788 PolarHBondContact O-N 3.35Å; E786-D788 VanDerWaalsContact O-N 3.13Å; D788-T790 PolarHBondContact O-N 2.92Å
789	S	25.8	Very low	27.6	Very low	101 Å²	101	122.8 Å²	122.8	71%	0.706	66%	0.66	S	S	*	*	S	Bend	trans	-36.1	107.3	-171	49.6	0	0	0	0	119.7
790	T	26.1	Very low	27.1	Very low	129 Å²	129	126.7 Å²	126.7	79%	0.791	68%	0.681	S	S	*	*				-169	117.8	127.8	10.8	0	0	0	0	112.3	D788 I792	D788-T790 PolarHBondContact O-N 2.92Å; T790-I792 PolarHBondContact O-N 3.28Å
791	V	24	Very low	26.8	Very low	134 Å²	134	131.8 Å²	131.8	81%	0.812	71%	0.709	S	S	*	*			trans	-81.1	114.2	174.4	178.9	0	0	0	0	109.7
792	I	26.2	Very low	26.4	Very low	128 Å²	128	132.7 Å²	132.7	66%	0.656	72%	0.722	S	S	*	*			trans	-124.8	107.9	167.5	-59.5	-179.1	0	0	0	107.7	T790 Y794	T790-I792 PolarHBondContact O-N 3.28Å; I792-Y794 PolarHBondContact O-N 2.66Å
793	N	25.1	Very low	26	Very low	143 Å²	143	138.1 Å²	138.1	77%	0.765	73%	0.734	S	S	*	*			trans	-66.5	119.2	174.5	-74.4	-29.6	0	0	0	109.8	P795	N793-P795 VanDerWaalsContact O-CD 3.28Å; N793-P795 WeakPolarHBondContact O-CD 3.31Å
794	Y	25.4	Very low	25.7	Very low	192 Å²	192	139.3 Å²	139.3	75%	0.753	73%	0.733	S	S	*	*			trans	-83.6	111.3	159.3	-79.8	-88.5	0	0	0	108.6	I792 Y796	I792-Y794 PolarHBondContact O-N 2.66Å; Y794-Y796 PolarHBondContact O-N 3.09Å
795	P	25.9	Very low	25.6	Very low	107 Å²	107	138.7 Å²	138.7	70%	0.695	73%	0.732	S	S	*	*			trans	-71.1	103.9	172.5	29.3	-32.6	0	0	0	109	N793 V797	N793-P795 VanDerWaalsContact O-CD 3.28Å; N793-P795 WeakPolarHBondContact O-CD 3.31Å; P795-V797 VanDerWaalsContact C-N 3.29Å; P795-V797 HydrophobicContact CB-CG2 4.5Å; P795-V797 PolarHBondContact O-N 2.83Å
796	Y	26.2	Very low	25.4	Very low	210 Å²	210	139.3 Å²	139.3	82%	0.824	74%	0.735	S	S	*	*			trans	-61.8	96.3	158.6	-88.2	-92.6	0	0	0	107.9	Y794 F798	Y794-Y796 PolarHBondContact O-N 3.09Å; Y796-F798 PolarHBondContact O-N 3.13Å
797	V	24.7	Very low	25.4	Very low	109 Å²	109	140.5 Å²	140.5	66%	0.661	74%	0.74	S	S	*	*			trans	-72.5	82.8	174	-177.1	0	0	0	0	108.5	P795 N799	P795-V797 VanDerWaalsContact C-N 3.29Å; P795-V797 HydrophobicContact CB-CG2 4.5Å; P795-V797 PolarHBondContact O-N 2.83Å; V797-N799 VanDerWaalsContact C-N 3.31Å; V797-N799 PolarHBondContact O-N 3.33Å
798	F	25.1	Very low	25.4	Very low	149 Å²	149	140 Å²	140	65%	0.654	74%	0.737	S	S	*	*			trans	-59.3	95.9	157.7	-95.8	-82.9	0	0	0	108.4	Y796 N800	Y796-F798 PolarHBondContact O-N 3.13Å; F798-N800 HydrophobicContact CD1-CB 4.07Å; F798-N800 PolarHBondContact O-N 3.07Å
799	N	24.6	Very low	25.4	Very low	138 Å²	138	137.8 Å²	137.8	74%	0.738	74%	0.739	S	S	*	*			trans	-82.7	38.5	158.2	-90.8	-9.5	0	0	0	111.5	V797 V801	V797-N799 VanDerWaalsContact C-N 3.31Å; V797-N799 PolarHBondContact O-N 3.33Å; N799-V801 VanDerWaalsContact C-N 3.29Å; N799-V801 PolarHBondContact O-N 3.07Å
800	N	25.8	Very low	25.5	Very low	112 Å²	112	137.5 Å²	137.5	60%	0.599	74%	0.737	S	S	*	*			trans	-79.9	84.8	150.2	-80.2	-0.7	0	0	0	107.3	F798 S802	F798-N800 HydrophobicContact CD1-CB 4.07Å; F798-N800 PolarHBondContact O-N 3.07Å; N800-S802 PolarHBondContact O-N 3.2Å
801	V	25.3	Very low	25.4	Very low	120 Å²	120	137.7 Å²	137.7	73%	0.727	74%	0.74	S	S	*	*			trans	-74.7	78.3	159	-178.3	0	0	0	0	107.2	N799 M803	N799-V801 VanDerWaalsContact C-N 3.29Å; N799-V801 PolarHBondContact O-N 3.07Å; V801-M803 HydrophobicContact CG1-CB 4.5Å; V801-M803 HydrophobicContact CG1-CG 4.15Å; V801-M803 PolarHBondContact O-N 3.16Å
802	S	24.6	Very low	25.6	Very low	92 Å²	92	138 Å²	138	64%	0.643	74%	0.736	S	S	*	*			trans	-70.8	76.2	170.8	-65.6	0	0	0	0	109.6	N800 N804	N800-S802 PolarHBondContact O-N 3.2Å; S802-N804 PolarHBondContact O-N 3.39Å
803	M	24.7	Very low	25.7	Very low	169 Å²	169	140.5 Å²	140.5	83%	0.833	74%	0.744	S	S	*	*			trans	-79.3	58.5	166.9	-98.4	-65	-164.8	0	0	110.8	V801	V801-M803 HydrophobicContact CG1-CB 4.5Å; V801-M803 HydrophobicContact CG1-CG 4.15Å; V801-M803 PolarHBondContact O-N 3.16Å
804	N	24.6	Very low	25.6	Very low	126 Å²	126	141.7 Å²	141.7	67%	0.674	75%	0.75	S	S	*	*			trans	-87.6	148.1	157.3	-81.1	-23.2	0	0	0	108.5	S802	S802-N804 PolarHBondContact O-N 3.39Å
805	Y	25.7	Very low	25.7	Very low	199 Å²	199	136.9 Å²	136.9	78%	0.78	75%	0.75	S	S	*	*			trans	65.5	78.7	176.1	-59.4	-78.5	0	0	0	117.3
806	L	25.3	Very low	25.8	Very low	165 Å²	165	139.3 Å²	139.3	86%	0.864	76%	0.757	S	S	*	*				-134.4	101.9	108.7	-119.4	171.4	0	0	0	110.2
807	H	25.8	Very low	25.9	Very low	161 Å²	161	137.3 Å²	137.3	75%	0.745	76%	0.755	S	S	*	*			trans	-77.1	146.9	167.8	-103	-81.2	0	0	0	109.5
808	S	25.5	Very low	26	Very low	110 Å²	110	136.8 Å²	136.8	77%	0.769	76%	0.756	S	S	*	*			trans	67.9	145.1	-174.6	79	0	0	0	0	114.5
809	A	26.8	Very low	26.1	Very low	100 Å²	100	134.4 Å²	134.4	83%	0.826	76%	0.758	S	S	*	*			cis	-104	160	7.5	0	0	0	0	0	114.5
810	S	27.6	Very low	26.2	Very low	94 Å²	94	138.6 Å²	138.6	66%	0.657	76%	0.764	S	S	*	*			trans	-77.5	153.1	-175.1	-48.9	0	0	0	0	113.9	I812	S810-I812 PolarHBondContact O-N 3.06Å
811	P	25.2	Very low	26.2	Very low	134 Å²	134	144.5 Å²	144.5	87%	0.87	78%	0.778	S	S	*	*			trans	-78.4	106.7	163.5	31.8	-30.9	0	0	0	110.2
812	I	27	Very low	26.2	Very low	141 Å²	141	142.6 Å²	142.6	72%	0.723	77%	0.77	S	S	*	*			trans	-132.4	113.1	174.2	-64.6	-177.1	0	0	0	111.1	S810	S810-I812 PolarHBondContact O-N 3.06Å
813	H	28.6	Very low	26.4	Very low	179 Å²	179	146 Å²	146	83%	0.829	78%	0.776	S	S	*	*			trans	47.2	131.4	150.5	-83.1	-93	0	0	0	124
814	L	24.3	Very low	26.6	Very low	169 Å²	169	143.7 Å²	143.7	89%	0.885	77%	0.766	S	S	*	*			trans	-58.5	126.2	148.8	-66.6	141.6	0	0	0	111.8
815	A	27.5	Very low	26.8	Very low	91 Å²	91	144 Å²	144	75%	0.752	77%	0.767	S	S	*	*			trans	172.3	105.4	150.7	0	0	0	0	0	104.8
816	D	27.1	Very low	26.8	Very low	158 Å²	158	138.5 Å²	138.5	85%	0.845	76%	0.756	S	S	*	*				67.7	141.8	56	-140.8	-2.3	0	0	0	114.1
817	E	27.6	Very low	27	Very low	167 Å²	167	138.9 Å²	138.9	78%	0.78	75%	0.753	S	S	*	*			trans	44.1	94.1	175.1	-58.2	-151.9	129.1	0	0	120.9
818	S	27.3	Very low	27.5	Very low	98 Å²	98	136 Å²	136	69%	0.685	75%	0.749	S	S	*	*				45	117.5	126.4	64.2	0	0	0	0	122.6
819	S	26.9	Very low	27.7	Very low	100 Å²	100	137.7 Å²	137.7	70%	0.699	75%	0.748	S	S	*	*				80.7	120.5	126.5	78	0	0	0	0	122.2
820	R	26.2	Very low	27.9	Very low	226 Å²	226	139.4 Å²	139.4	85%	0.853	74%	0.743	S	S	*	*			trans	72.6	136.3	141.1	-68.4	171.9	171.6	174.8	-1.7	120
821	R	27	Very low	28.2	Very low	236 Å²	236	140.6 Å²	140.6	89%	0.891	74%	0.742	S	S	*	*			trans	69	150.3	159	-73.1	177.2	175.1	166.9	-4.1	116
822	S	25.5	Very low	28.6	Very low	80 Å²	80	139.6 Å²	139.6	56%	0.559	73%	0.733	S	S	*	*			cis	169.6	153.1	-33.3	45	0	0	0	0	106.2
823	E	28.1	Very low	29	Very low	164 Å²	164	137.6 Å²	137.6	77%	0.766	73%	0.729	S	S	*	*			trans	66.9	162	170	-66.6	170.8	-127.8	0	0	113.9
824	N	29.4	Very low	29	Very low	120 Å²	120	138.5 Å²	138.5	64%	0.642	73%	0.727	S	S	*	*			cis	-164.8	158.9	-10.7	-110.4	-16.3	0	0	0	108.1
825	I	27.9	Very low	29.4	Very low	132 Å²	132	137 Å²	137	68%	0.677	72%	0.72	S	S	*	*			cis	-166.1	152.9	-8.8	-148.7	177.9	0	0	0	110.2
826	C	27	Very low	29.5	Very low	84 Å²	84	137.3 Å²	137.3	57%	0.568	71%	0.712	S	S	*	*			trans	64.5	163.9	155.3	-68.5	0	0	0	0	121.8
827	H	29.5	Very low	29.8	Very low	172 Å²	172	135.9 Å²	135.9	80%	0.796	71%	0.705	S	S	*	*			cis	-153.1	169.7	-11.4	-107.3	-33.3	0	0	0	111.2
828	P	35.5	Very low	29.9	Very low	100 Å²	100	134.1 Å²	134.1	65%	0.649	70%	0.7	S	S	*	*			trans	-131.1	-159.4	-168.1	32.4	-8.3	0	0	0	115.9
829	I	30	Very low	30.1	Very low	146 Å²	146	135.4 Å²	135.4	75%	0.749	70%	0.7	S	S	*	*			trans	66	162.9	161.5	33.1	178.1	0	0	0	119.8
830	D	31.6	Very low	30.3	Very low	136 Å²	136	136.9 Å²	136.9	73%	0.727	70%	0.7	S	S	*	*			cis	-115.9	-158.2	-4.4	-81.1	-62.6	0	0	0	110.6
831	D	33.3	Very low	30.6	Very low	120 Å²	120	131.6 Å²	131.6	64%	0.642	69%	0.688	S	S	*	*			cis	-150.7	168.6	4.5	-151.4	58.1	0	0	0	106.6
832	V	33.4	Very low	30.9	Very low	113 Å²	113	126.1 Å²	126.1	69%	0.685	68%	0.677	S	S	*	*			cis	78.5	157.8	24.4	165.2	0	0	0	0	113
833	P	35.9	Very low	31.3	Very low	98 Å²	98	127.6 Å²	127.6	64%	0.636	68%	0.678	S	S	*	*			cis	-124.8	158.9	-6.2	24.1	-1.3	0	0	0	118.9
834	Y	27.9	Very low	31.4	Very low	199 Å²	199	125.3 Å²	125.3	78%	0.78	67%	0.672	S	S	*	*			trans	43.5	160.8	136.8	-72.3	-99.8	0	0	0	123.3	V836	Y834-V836 HydrophobicContact CD1-CG2 4.17Å
835	N	32.9	Very low	31.6	Very low	136 Å²	136	125 Å²	125	73%	0.727	67%	0.67	S	S	*	*			cis	-147.5	146.7	27.3	-107.9	-30.1	0	0	0	110.7
836	V	28.8	Very low	31.7	Very low	99 Å²	99	124.3 Å²	124.3	60%	0.6	67%	0.668	S	S	*	*				66.5	130	80	176.3	0	0	0	0	112.7	Y834	Y834-V836 HydrophobicContact CD1-CG2 4.17Å
837	D	34.4	Very low	31.9	Very low	128 Å²	128	126.2 Å²	126.2	68%	0.684	67%	0.672	S	S	*	*			cis	-135.2	146.9	37.5	-100.2	-55.9	0	0	0	114.1
838	N	28.6	Very low	31.8	Very low	129 Å²	129	125 Å²	125	69%	0.69	67%	0.667	S	S	*	*				49.3	132.3	95.1	-67.6	-52.3	0	0	0	116.4
839	N	33	Very low	31.3	Very low	126 Å²	126	126.6 Å²	126.6	67%	0.674	67%	0.669	S	S	*	*				-171	149.1	54.6	-114.9	-53.4	0	0	0	113.3
840	N	30.1	Very low	31.3	Very low	130 Å²	130	126.5 Å²	126.5	70%	0.695	67%	0.67	S	S	*	*			trans	41.2	147.4	133.2	-70.9	-17.1	0	0	0	122.3
841	N	33.4	Very low	30.9	Very low	116 Å²	116	125.1 Å²	125.1	62%	0.62	67%	0.67	S	S	*	*			cis	-168.8	150.5	22.5	-129.9	-14.6	0	0	0	112.4
842	N	31.9	Very low	30.5	Very low	120 Å²	120	130 Å²	130	64%	0.642	68%	0.681	S	S	*	*			trans	58.7	151	141.2	-67	-17.8	0	0	0	121
843	N	33.8	Very low	30.1	Very low	111 Å²	111	130.8 Å²	130.8	59%	0.594	69%	0.685	S	S	*	*			cis	-165.5	154	-1.6	-118.6	-19.3	0	0	0	111
844	N	32.2	Very low	29.8	Very low	117 Å²	117	133.3 Å²	133.3	63%	0.626	69%	0.693	S	S	*	*			trans	44.1	146.1	132.4	-60.4	-11.5	0	0	0	121.9
845	N	32.5	Very low	30	Very low	114 Å²	114	129.9 Å²	129.9	61%	0.61	70%	0.695	S	S	*	*			cis	-169.9	158.5	0.3	-114.9	-11.2	0	0	0	113.4
846	N	30.5	Very low	29.7	Very low	117 Å²	117	128.2 Å²	128.2	63%	0.626	69%	0.694	S	S	*	*			trans	64.7	135	138.8	-64.8	-9.9	0	0	0	124
847	N	31.3	Very low	29.9	Very low	123 Å²	123	130.3 Å²	130.3	66%	0.658	70%	0.702	S	S	*	*			trans	74.7	146.8	134.3	-69.8	3.1	0	0	0	120.6
848	Q	27.7	Very low	29.5	Very low	148 Å²	148	130.7 Å²	130.7	69%	0.692	70%	0.7	S	S	*	*			cis	-163.4	161.6	-20.6	-122.8	170.2	-15.3	0	0	110.2
849	L	24.8	Very low	29.5	Very low	132 Å²	132	132 Å²	132	69%	0.691	70%	0.701	S	S	*	*			trans	12.8	126.1	149.7	-67.8	158.5	0	0	0	119.5
850	N	28.9	Very low	29.1	Very low	144 Å²	144	133.6 Å²	133.6	77%	0.77	71%	0.705	S	S	*	*				-166.2	145.5	105.9	-98.8	-33.7	0	0	0	113.5
851	C	23.3	Very low	28.9	Very low	107 Å²	107	134.4 Å²	134.4	72%	0.723	71%	0.708	S	S	*	*			trans	-102.6	146.4	170.2	-52.2	0	0	0	0	109.4
852	Y	26.3	Very low	28.7	Very low	223 Å²	223	135 Å²	135	88%	0.875	72%	0.716	S	S	*	*			trans	-143.3	163.5	158.2	-91.1	-69.1	0	0	0	111.8
853	V	24.4	Very low	28.4	Very low	129 Å²	129	135.2 Å²	135.2	78%	0.782	72%	0.722	S	S	*	*			trans	-120	163.1	-158.2	174.8	0	0	0	0	111.3
854	L	30	Very low	28.1	Very low	152 Å²	152	137.5 Å²	137.5	80%	0.796	73%	0.729	S	S	*	*			trans	-42.7	159.1	169.4	-59.1	165.8	0	0	0	114
855	P	30.4	Very low	28	Very low	126 Å²	126	141 Å²	141	82%	0.818	74%	0.742	S	S	*	*				-136.7	171.1	107.3	38.6	-29.6	0	0	0	114.8
856	S	27.9	Very low	27.7	Very low	101 Å²	101	142.7 Å²	142.7	71%	0.706	74%	0.744	S	S	*	*			trans	-111.3	148.3	172.5	-50.4	0	0	0	0	110.5
857	D	31.7	Very low	27.5	Very low	143 Å²	143	144.8 Å²	144.8	77%	0.765	75%	0.747	S	S	*	*			trans	167	166.4	157.2	-95.6	-23.8	0	0	0	109
858	Q	26.5	Very low	27.2	Very low	137 Å²	137	147.9 Å²	147.9	64%	0.64	76%	0.758	S	S	*	*			cis	-170.7	154.8	-44	-129.3	-167.9	81.8	0	0	107.6
859	Q	29.5	Very low	27.3	Very low	156 Å²	156	149.4 Å²	149.4	73%	0.729	77%	0.765	S	S	*	*			trans	64.7	165.3	165.1	-60.6	167.9	37	0	0	116.9
860	Q	24.8	Very low	27.3	Very low	159 Å²	159	153.3 Å²	153.3	74%	0.743	78%	0.776	S	S	*	*			cis	-166.8	174.4	-45.7	-107.8	-175.3	30.1	0	0	107.1
861	L	26	Very low	27.2	Very low	147 Å²	147	151.8 Å²	151.8	77%	0.77	78%	0.777	S	S	*	*			trans	70.1	150.5	168.1	-51.8	115.9	0	0	0	116
862	T	28.3	Very low	27.4	Very low	128 Å²	128	154.8 Å²	154.8	79%	0.785	79%	0.785	S	S	*	*			cis	-155.5	175.3	-11.6	9.4	0	0	0	0	112.2
863	T	25.2	Very low	27.3	Very low	126 Å²	126	154.6 Å²	154.6	77%	0.773	79%	0.789	S	S	*	*			trans	-76.2	172.4	-176.1	0.4	0	0	0	0	117.1
864	H	27.4	Very low	27.3	Very low	158 Å²	158	152.6 Å²	152.6	73%	0.731	78%	0.78	S	S	*	*			trans	76	148.2	-178.7	-69.1	-97.7	0	0	0	114.8
865	Q	31.6	Very low	27.1	Very low	192 Å²	192	152.1 Å²	152.1	90%	0.897	77%	0.774	S	S	*	*			cis	-135.3	-163.5	19.6	-59.4	169.4	-11.8	0	0	112.9
866	F	25.6	Very low	26.9	Very low	149 Å²	149	153.9 Å²	153.9	65%	0.654	77%	0.773	S	S	*	*				-165.8	122.6	-90.7	-164.7	-118.8	0	0	0	111.6
867	K	24.9	Very low	26.8	Very low	160 Å²	160	154.9 Å²	154.9	70%	0.696	78%	0.775	S	S	*	*			trans	58.1	106.2	163.2	-63.1	178.4	179.5	171.5	0	121.2
868	Q	26.7	Very low	26.6	Very low	189 Å²	189	154.1 Å²	154.1	88%	0.883	78%	0.778	S	S	*	*				-176.9	147.4	124.2	-102.1	158.1	79.2	0	0	107.6
869	E	28.4	Very low	26.7	Very low	180 Å²	180	153 Å²	153	84%	0.841	77%	0.773	S	S	*	*			cis	-126.7	179.8	6.5	-62.6	-175.5	96.8	0	0	112.7
870	K	25	Very low	26.7	Very low	213 Å²	213	149.7 Å²	149.7	93%	0.926	77%	0.765	S	S	*	*			trans	-130.2	93	169.5	-78.1	-177	176.6	177.8	0	111
871	S	26.4	Very low	26.9	Very low	112 Å²	112	150 Å²	150	78%	0.783	76%	0.761	S	S	*	*			trans	-161.8	96.7	159.4	-166.1	0	0	0	0	112.8
872	L	27.9	Very low	27.1	Very low	170 Å²	170	149.8 Å²	149.8	89%	0.89	75%	0.75	S	S	*	*			trans	161.6	96.4	150.2	-91.6	158.9	0	0	0	108.5
873	K	24.6	Very low	27.1	Very low	219 Å²	219	147.8 Å²	147.8	95%	0.952	74%	0.74	S	S	*	*			trans	-105.8	90.2	171.4	-84.3	-168.2	169.6	-167.2	0	109.5
874	S	25.4	Very low	27.4	Very low	87 Å²	87	146.7 Å²	146.7	61%	0.608	73%	0.729	S	S	*	*			trans	-157.4	144	165.9	-171.9	0	0	0	0	110.3
875	Q	25.2	Very low	27.4	Very low	142 Å²	142	144.2 Å²	144.2	66%	0.664	72%	0.721	S	S	*	*			trans	63.1	168.7	169.2	-72.9	153.9	-72	0	0	118	D105	D105-Q875 PolarHBondContact OD2-NE2 3.22Å
876	M	25.1	Very low	27.4	Very low	163 Å²	163	143 Å²	143	80%	0.803	72%	0.72	S	S	*	*			trans	61.3	101.2	-178.1	-64.6	-167.8	163.7	0	0	117.6
877	T	26.4	Very low	27.5	Very low	122 Å²	122	139.2 Å²	139.2	75%	0.748	72%	0.723	S	S	*	*			trans	-126.8	131.9	153.1	44.4	0	0	0	0	108.3
878	P	28.7	Very low	27.5	Very low	127 Å²	127	137.8 Å²	137.8	83%	0.825	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-74.8	132.3	178.1	29.5	-33.1	0	0	0	110.8
879	Q	27.7	Very low	27.6	Very low	115 Å²	115	134.5 Å²	134.5	54%	0.537	72%	0.722	S	S	.	*	P	Polyproline II helix	trans	-81.1	127.7	171.1	-68.2	-83.1	-69.8	0	0	109.4
880	P	29.5	Very low	27.4	Very low	86 Å²	86	131.4 Å²	131.4	56%	0.558	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-75.8	127.2	175.5	30.1	-32.9	0	0	0	111.2	W882	P880-W882 HydrophobicContact CG-CZ2 4.41Å
881	Y	30.1	Very low	27.4	Very low	166 Å²	166	128.7 Å²	128.7	65%	0.651	70%	0.7	S	S	*	*			trans	-92.2	114.5	168.6	-67	-79.2	0	0	0	109.6	C883	Y881-C883 PolarHBondContact O-N 3.08Å
882	W	28.5	Very low	27.5	Very low	142 Å²	142	130 Å²	130	54%	0.538	69%	0.694	S	S	.	*			trans	-84	106.2	-176.7	-60	96.5	0	0	0	111.9	P880	P880-W882 HydrophobicContact CG-CZ2 4.41Å
883	C	28.4	Very low	27.3	Very low	85 Å²	85	125.1 Å²	125.1	57%	0.574	68%	0.678	S	S	*	*			trans	-88.4	115.6	169.6	-142.7	0	0	0	0	109.6	Y881 D885	Y881-C883 PolarHBondContact O-N 3.08Å; C883-D885 PolarHBondContact O-N 2.8Å; C883-D885 PolarHBondContact SG-OD2 3.01Å
884	L	31.5	Very low	27.3	Very low	104 Å²	104	120.6 Å²	120.6	55%	0.545	66%	0.663	S	S	.	*			trans	-86.4	57.5	-176.7	-88.5	164.6	0	0	0	112.3	R239	R239-L884 PolarHBondContact NH1-O 3.42Å; R239-L884 PolarHBondContact NH2-O 2.92Å
885	D	28.6	Very low	27.4	Very low	106 Å²	106	123 Å²	123	57%	0.567	67%	0.669	S	S	*	*			trans	-109.7	75.6	178.8	-68.9	-40.4	0	0	0	111.2	C883	C883-D885 PolarHBondContact O-N 2.8Å; C883-D885 PolarHBondContact SG-OD2 3.01Å
886	L	30.8	Very low	27.6	Very low	167 Å²	167	122.9 Å²	122.9	87%	0.874	67%	0.673	S	S	*	*			trans	-134.4	145.6	157.6	-80.6	-178.4	0	0	0	110.5
887	G	27.1	Very low	27.7	Very low	69 Å²	69	123.1 Å²	123.1	71%	0.711	67%	0.674	S	S	*	*			trans	-88.5	178.9	-176.4	0	0	0	0	0	114.4
888	V	26.4	Very low	27.8	Very low	130 Å²	130	123.9 Å²	123.9	79%	0.788	67%	0.674	S	S	*	*			trans	-67.6	139.9	-178.8	178.2	0	0	0	0	112.5	V890	V888-V890 HydrophobicContact CG1-CB 4.41Å; V888-V890 HydrophobicContact CG1-CG2 3.57Å
889	P	27.7	Very low	27.9	Very low	120 Å²	120	124.4 Å²	124.4	78%	0.779	67%	0.67	S	S	*	*			trans	-109.3	139.2	147.6	10.1	10.2	0	0	0	111.1
890	V	25.4	Very low	28	Very low	115 Å²	115	126.1 Å²	126.1	70%	0.697	68%	0.681	S	S	*	*			trans	-135.5	117.9	177	158.5	0	0	0	0	108.1	V888	V888-V890 HydrophobicContact CG1-CB 4.41Å; V888-V890 HydrophobicContact CG1-CG2 3.57Å
891	Y	24.4	Very low	28.1	Very low	156 Å²	156	127.8 Å²	127.8	61%	0.612	70%	0.695	S	S	*	*			trans	62.3	158	-168.7	-73.6	-92.1	0	0	0	113.3	P927	Y891-P927 HydrophobicContact CD1-CB 4.24Å; Y891-P927 HydrophobicContact CD1-CG 3.96Å; Y891-P927 HydrophobicContact CE1-CG 3.99Å
892	E	27.2	Very low	28.1	Very low	138 Å²	138	129 Å²	129	65%	0.645	71%	0.706	S	S	*	*			cis	-135.2	168.7	22.1	-153.4	166.1	-153.9	0	0	113.1	P927	E892-P927 HydrophobicContact CG-CB 3.55Å; E892-P927 HydrophobicContact CG-CG 4.46Å; E892-P927 WeakPolarHBondContact OE1-CB 3.39Å
893	A	24.4	Very low	28.4	Very low	69 Å²	69	127.7 Å²	127.7	57%	0.57	72%	0.717	S	S	*	*			trans	-128.1	164.8	179.1	0	0	0	0	0	111.6
894	I	24.8	Very low	28.7	Very low	123 Å²	123	129.5 Å²	129.5	63%	0.631	73%	0.727	S	S	*	*			trans	93.5	99.4	-175.4	-54.6	177	0	0	0	114.2
895	N	27.1	Very low	28.8	Very low	137 Å²	137	129.1 Å²	129.1	73%	0.733	74%	0.739	S	S	*	*				-174.7	152.9	112.2	-96.6	-59.8	0	0	0	111.6
896	N	30.2	Very low	28.8	Very low	141 Å²	141	129.7 Å²	129.7	75%	0.754	75%	0.75	S	S	*	*			trans	66.1	112	177.3	-48.7	-28.3	0	0	0	114.5
897	M	26	Very low	28.9	Very low	167 Å²	167	128 Å²	128	82%	0.823	75%	0.749	S	S	*	*			cis	60.6	124.2	48	-57.9	-174.9	167.2	0	0	112.1
898	N	30	Very low	29.1	Very low	138 Å²	138	133.3 Å²	133.3	74%	0.738	76%	0.755	S	S	*	*			cis	-140.3	-169.4	18.2	-75.1	-64.8	0	0	0	113.4
899	D	30.9	Very low	29.4	Very low	139 Å²	139	134 Å²	134	74%	0.743	75%	0.754	S	S	*	*			trans	76.2	82.1	163.1	-56.2	-15.5	0	0	0	116.6
900	I	29.8	Very low	29.5	Very low	150 Å²	150	135.4 Å²	135.4	77%	0.769	75%	0.754	S	S	*	*				81.7	98.4	73.5	-64.1	163.3	0	0	0	113.9
901	S	31.6	Very low	29.7	Very low	122 Å²	122	134.7 Å²	134.7	85%	0.853	75%	0.753	S	S	*	*				176.3	134.8	116.1	36.7	0	0	0	0	111.3
902	E	29.3	Very low	29.9	Very low	190 Å²	190	133.4 Å²	133.4	89%	0.888	76%	0.755	S	S	*	*			trans	-108.3	161.3	-171.3	-82.1	-174.1	128.3	0	0	114.4
903	P	35.9	Very low	29.9	Very low	116 Å²	116	131.4 Å²	131.4	75%	0.753	76%	0.756	S	S	*	*			trans	-97.4	172.9	177.4	40.1	-36.3	0	0	0	113.7
904	P	34.1	Very low	30.1	Very low	122 Å²	122	132.4 Å²	132.4	79%	0.792	75%	0.751	S	S	*	*			trans	-115.9	162.9	162.5	38.9	-29.6	0	0	0	112.8
905	A	32.5	Very low	30.3	Very low	96 Å²	96	131 Å²	131	79%	0.793	75%	0.75	S	S	*	*			cis	-170.4	150.6	-28	0	0	0	0	0	107.5
906	C	29.4	Very low	30.3	Very low	119 Å²	119	129.4 Å²	129.4	80%	0.804	75%	0.749	S	S	*	*			trans	-83.7	174	174.5	-66.4	0	0	0	0	112.7
907	P	33.5	Very low	30.3	Very low	130 Å²	130	126.7 Å²	126.7	84%	0.844	74%	0.735	S	S	*	*				-118.4	153	128.4	-0.3	20.3	0	0	0	112.6
908	E	30.5	Very low	30.5	Very low	181 Å²	181	125.5 Å²	125.5	85%	0.846	72%	0.722	S	S	*	*			trans	-95.5	168.9	176.7	-58.3	166.6	104.6	0	0	111.3
909	D	33	Very low	30.5	Very low	145 Å²	145	129.8 Å²	129.8	78%	0.775	73%	0.728	S	S	*	*			trans	-177.7	97.2	138.1	-97.5	-19.8	0	0	0	113.9
910	L	29.3	Very low	30.3	Very low	149 Å²	149	130 Å²	130	78%	0.78	73%	0.728	S	S	*	*			trans	65.3	167.3	131.2	-66.3	162	0	0	0	120.5
911	P	30.8	Very low	30.3	Very low	101 Å²	101	128.6 Å²	128.6	66%	0.656	73%	0.732	S	S	*	*				-139.7	-166.7	-75.1	36.2	-14.2	0	0	0	116.6
912	I	28.3	Very low	30.2	Very low	129 Å²	129	129.8 Å²	129.8	66%	0.662	72%	0.722	S	S	*	*			trans	106.3	85.9	153.2	-57.9	152	0	0	0	120.8
913	S	25.6	Very low	30.1	Very low	95 Å²	95	130 Å²	130	66%	0.664	72%	0.72	S	S	*	*				46.9	160.9	123.7	78.4	0	0	0	0	127.2
914	I	29	Very low	29.7	Very low	90 Å²	90	128.3 Å²	128.3	46%	0.462	72%	0.716	S	S	.	*			trans	103.7	134.1	155.4	-66.1	156.3	0	0	0	117	V1120	I914-V1120 HydrophobicContact CD1-CG2 4.22Å; I914-V1120 HydrophobicContact CG1-CG2 4.23Å
915	P	29.7	Very low	29.5	Very low	95 Å²	95	128.4 Å²	128.4	62%	0.617	71%	0.709	S	S	*	*			cis	-132.7	178.1	-25.3	36	-16.6	0	0	0	114.9
916	S	27.4	Very low	29.4	Very low	102 Å²	102	130.2 Å²	130.2	71%	0.713	71%	0.705	S	S	*	*			trans	-105.2	134.6	175.3	58.2	0	0	0	0	113.9
917	N	29.3	Very low	29.4	Very low	85 Å²	85	126.2 Å²	126.2	46%	0.455	68%	0.677	S	S	.	*			trans	-157.6	112.8	166.1	-85.9	-33.1	0	0	0	112.3	R1123	N917-R1123 VanDerWaalsContact OD1-CD 3.25Å; N917-R1123 WeakPolarHBondContact OD1-CD 3.48Å; N917-R1123 VanDerWaalsContact OD1-CG 3.29Å; N917-R1123 WeakPolarHBondContact OD1-CG 3.32Å; N917-R1123 PolarHBondContact OD1-NE 3.45Å; N917-R1123 PolarHBondContact OD1-NH1 2.89Å
918	Y	30.6	Very low	29.2	Very low	142 Å²	142	124.5 Å²	124.5	56%	0.557	66%	0.661	S	S	*	*			trans	43.6	141.4	167.4	-65.8	-51.1	0	0	0	121.4	R1123	Y918-R1123 HydrophobicContact CE2-CG 4.12Å; Y918-R1123 VanDerWaalsContact CG-NH2 3.3Å; Y918-R1123 VanDerWaalsContact CZ-NE 3.32Å
919	R	28.9	Very low	29.2	Very low	227 Å²	227	122.5 Å²	122.5	86%	0.857	66%	0.661	S	S	*	*			cis	-161.6	137.4	-31.4	-149.9	-178.8	-172.3	167.7	0.3	107.5
920	L	27.7	Very low	28.9	Very low	143 Å²	143	121.3 Å²	121.3	75%	0.749	66%	0.659	S	S	*	*			trans	-97	148.4	176.7	-77.8	157.4	0	0	0	112.4	K922	L920-K922 HydrophobicContact CB-CB 3.88Å; L920-K922 HydrophobicContact CB-CD 4.26Å; L920-K922 HydrophobicContact CB-CG 4.08Å
921	S	29.7	Very low	28.9	Very low	122 Å²	122	120.4 Å²	120.4	85%	0.853	66%	0.655	S	S	*	*			trans	-139.8	77.4	149.9	56.3	0	0	0	0	106.6
922	K	29.2	Very low	28.7	Very low	146 Å²	146	125.7 Å²	125.7	64%	0.635	66%	0.662	S	S	*	*				66.1	94.2	51	-132.1	-170.6	-176.1	-167.1	0	112.5	L920	L920-K922 HydrophobicContact CB-CB 3.88Å; L920-K922 HydrophobicContact CB-CD 4.26Å; L920-K922 HydrophobicContact CB-CG 4.08Å
923	F	28.4	Very low	28.7	Very low	194 Å²	194	126.3 Å²	126.3	85%	0.851	67%	0.672	S	S	*	*			trans	-137.2	76	144.2	-90.6	-74.1	0	0	0	109.2	I925	F923-I925 HydrophobicContact CD1-CD1 3.77Å; F923-I925 HydrophobicContact CD1-CG1 4.22Å; F923-I925 HydrophobicContact CE1-CD1 3.75Å
924	A	26.1	Very low	28.7	Very low	82 Å²	82	125.6 Å²	125.6	68%	0.678	68%	0.68	S	S	*	*			trans	-114	124.1	147.7	0	0	0	0	0	105
925	I	31.1	Very low	28.7	Very low	123 Å²	123	126.6 Å²	126.6	63%	0.631	70%	0.695	S	S	*	*			trans	-119.1	139.3	180	-75.2	-177.2	0	0	0	108.9	F923	F923-I925 HydrophobicContact CD1-CD1 3.77Å; F923-I925 HydrophobicContact CD1-CG1 4.22Å; F923-I925 HydrophobicContact CE1-CD1 3.75Å
926	N	30.5	Very low	28.6	Very low	134 Å²	134	129.6 Å²	129.6	72%	0.717	71%	0.705	S	S	*	*			trans	-80.2	149	-177	-145.6	34.1	0	0	0	109.7
927	P	29.4	Very low	28.8	Very low	35 Å²	35	130.7 Å²	130.7	23%	0.227	71%	0.709	C	S	.	*			trans	-81.7	169	-177.3	34.9	-36.8	0	0	0	113.2	Y891 E892	Y891-P927 HydrophobicContact CD1-CB 4.24Å; Y891-P927 HydrophobicContact CD1-CG 3.96Å; Y891-P927 HydrophobicContact CE1-CG 3.99Å; E892-P927 HydrophobicContact CG-CB 3.55Å; E892-P927 HydrophobicContact CG-CG 4.46Å; E892-P927 WeakPolarHBondContact OE1-CB 3.39Å
928	N	28.9	Very low	28.6	Very low	94 Å²	94	129.6 Å²	129.6	50%	0.503	72%	0.719	S	S	.	*			trans	75	160.7	168.2	-69.7	-77.4	0	0	0	120.4
929	V	30	Very low	28.8	Very low	139 Å²	139	128.5 Å²	128.5	84%	0.842	73%	0.729	S	S	*	*			trans	75.1	89.7	179	-165.8	0	0	0	0	115.8
930	T	26.8	Very low	28.8	Very low	121 Å²	121	125 Å²	125	74%	0.742	73%	0.725	S	S	*	*			trans	-64.1	144.3	161.4	46	0	0	0	0	112.2
931	N	28.7	Very low	28.7	Very low	129 Å²	129	122.1 Å²	122.1	69%	0.69	72%	0.722	S	S	*	*				-174	134.8	129.2	-105	-69.9	0	0	0	113.4
932	R	28.2	Very low	28.7	Very low	212 Å²	212	126.1 Å²	126.1	80%	0.8	73%	0.725	S	S	*	*			trans	49.8	100.3	142	-65.2	170.9	-167.5	-136.1	-4.1	120
933	T	27.1	Very low	28.6	Very low	143 Å²	143	125.6 Å²	125.6	88%	0.877	73%	0.727	S	S	*	*				35.1	103.5	118.1	58.7	0	0	0	0	118.1
934	G	26.9	Very low	28.7	Very low	80 Å²	80	122 Å²	122	83%	0.825	72%	0.724	S	S	*	*			trans	-172.8	134.3	168.8	0	0	0	0	0	112.4
935	S	28.4	Very low	28.8	Very low	111 Å²	111	122.3 Å²	122.3	78%	0.776	72%	0.721	S	S	*	*			trans	-69.9	149	-178.4	50.9	0	0	0	0	114.7
936	L	27.9	Very low	28.9	Very low	158 Å²	158	122.8 Å²	122.8	83%	0.827	73%	0.725	S	S	*	*			trans	20.1	136.8	137.5	-77.2	159	0	0	0	119
937	P	30.5	Very low	28.9	Very low	124 Å²	124	123 Å²	123	81%	0.805	73%	0.725	S	S	*	*				-144.1	178.9	61.7	39.3	-21.3	0	0	0	116.8
938	G	26	Very low	29	Very low	63 Å²	63	127 Å²	127	65%	0.649	74%	0.744	S	S	*	*			trans	-90.5	-150.1	161.9	0	0	0	0	0	111.7
939	P	33.8	Very low	28.9	Very low	119 Å²	119	129.3 Å²	129.3	77%	0.773	76%	0.755	S	S	*	*			cis	-130.4	-157.5	-3.7	42.2	-24.5	0	0	0	111.8
940	I	29.1	Very low	29	Very low	153 Å²	153	128.8 Å²	128.8	79%	0.785	76%	0.755	S	S	*	*			trans	158.2	139.1	137.9	-82.4	159	0	0	0	110.2
941	A	26.5	Very low	29.1	Very low	83 Å²	83	130.7 Å²	130.7	69%	0.686	76%	0.756	S	S	*	*			trans	-108.6	171.7	180	0	0	0	0	0	112.4
942	F	29.3	Very low	29.3	Very low	205 Å²	205	132.9 Å²	132.9	90%	0.899	76%	0.762	S	S	*	*			trans	-141.1	135.2	162.8	-105.8	-83.8	0	0	0	111.1
943	I	26.1	Very low	29.5	Very low	135 Å²	135	129.9 Å²	129.9	69%	0.692	76%	0.76	S	S	*	*			trans	-127.8	141.4	174.7	-59.3	168.6	0	0	0	106.4
944	P	32.4	Very low	29.4	Very low	119 Å²	119	130.6 Å²	130.6	77%	0.773	75%	0.753	S	S	*	*			trans	-105.4	111.1	157	15	4.6	0	0	0	110.1
945	S	27.4	Very low	29.6	Very low	89 Å²	89	132.5 Å²	132.5	62%	0.622	74%	0.744	S	S	*	*			trans	-89	-172.2	162.1	-62	0	0	0	0	109.9
946	D	32.9	Very low	29.7	Very low	132 Å²	132	133.1 Å²	133.1	71%	0.706	74%	0.739	S	S	*	*			trans	101.4	100.1	171.2	-53.4	-15.4	0	0	0	113.3
947	L	30.6	Very low	29.8	Very low	138 Å²	138	131.5 Å²	131.5	72%	0.723	73%	0.73	S	S	*	*				85.9	98.8	70.6	-81.1	165.1	0	0	0	113
948	N	32.3	Very low	29.6	Very low	119 Å²	119	131.9 Å²	131.9	64%	0.636	73%	0.725	S	S	*	*				-166	142.2	113.1	-110.4	-18.8	0	0	0	112.7	E1130	N948-E1130 PolarHBondContact ND2-OE1 3.38Å
949	I	26.6	Very low	29.7	Very low	143 Å²	143	135.1 Å²	135.1	73%	0.733	73%	0.727	S	S	*	*			trans	-140.6	124.8	179.4	-62.3	173.9	0	0	0	109.5	Q951	I949-Q951 HydrophobicContact CG2-CG 4.38Å
950	P	31.9	Very low	29.6	Very low	129 Å²	129	135.2 Å²	135.2	84%	0.838	72%	0.721	S	S	*	*			trans	-81.8	131.2	157.9	-12.6	30.2	0	0	0	110.9
951	Q	28.5	Very low	29.8	Very low	161 Å²	161	133.2 Å²	133.2	75%	0.752	71%	0.712	S	S	*	*			trans	-99.4	-175.8	179.1	-69.7	-173.6	-19.7	0	0	112.7	I949	I949-Q951 HydrophobicContact CG2-CG 4.38Å
952	Q	33.1	Very low	30.1	Very low	175 Å²	175	136 Å²	136	82%	0.818	72%	0.715	S	S	*	*			trans	80.1	139.8	168.5	-47.1	176.1	1.3	0	0	113.3
953	I	32	Very low	30.2	Very low	148 Å²	148	133 Å²	133	76%	0.759	71%	0.709	S	S	*	*			cis	-135.4	118	8.3	-58	166.2	0	0	0	105.5
954	Q	26	Very low	30.5	Very low	159 Å²	159	135.5 Å²	135.5	74%	0.743	72%	0.718	S	S	*	*				70	139.6	66.3	-148.3	-179	12.3	0	0	115.1
955	N	30.7	Very low	30.2	Very low	119 Å²	119	140.3 Å²	140.3	64%	0.636	72%	0.72	S	S	*	*			trans	74.7	139.1	176	-52.5	-31.3	0	0	0	116
956	N	29.2	Very low	30.1	Very low	125 Å²	125	142.2 Å²	142.2	67%	0.668	72%	0.723	S	S	*	*			cis	-165.9	162.5	-6.4	-119	-13	0	0	0	113.5
957	I	30	Very low	29.7	Very low	124 Å²	124	142.5 Å²	142.5	64%	0.636	72%	0.724	S	S	*	*			trans	66.7	100.3	143.7	-70.2	167.7	0	0	0	116.3
958	N	28.2	Very low	29.5	Very low	132 Å²	132	144.2 Å²	144.2	71%	0.706	73%	0.728	S	S	*	*				89.1	150.9	93.4	-72.2	2.5	0	0	0	112.9
959	L	27.2	Very low	29.1	Very low	130 Å²	130	147.7 Å²	147.7	68%	0.681	74%	0.738	S	S	*	*			cis	-166.1	175.3	-8	-117.7	172.9	0	0	0	109.3
960	N	32.1	Very low	29.1	Very low	122 Å²	122	147.5 Å²	147.5	65%	0.652	74%	0.744	S	S	*	*			trans	69.5	147	167.8	-62.2	35.3	0	0	0	118
961	D	32.7	Very low	28.7	Very low	110 Å²	110	152.1 Å²	152.1	59%	0.588	75%	0.745	S	S	*	*			cis	-165.6	163.9	-20.3	-97.7	-23.1	0	0	0	109.9
962	N	33.6	Very low	28.7	Very low	141 Å²	141	153.3 Å²	153.3	75%	0.754	75%	0.75	S	S	*	*			trans	72.2	119.9	176.4	-36.4	-87.1	0	0	0	113.8
963	D	32	Very low	28.3	Very low	143 Å²	143	155 Å²	155	77%	0.765	75%	0.75	S	S	*	*			cis	75.8	138.3	41.7	-55.6	-46.5	0	0	0	113.5
964	E	30.7	Very low	27.9	Very low	188 Å²	188	151.7 Å²	151.7	88%	0.879	75%	0.753	S	S	*	*			cis	-145	-165.4	4.1	-138.6	-178.3	169	0	0	113.5
965	R	26.1	Very low	27.9	Very low	219 Å²	219	149.5 Å²	149.5	83%	0.826	75%	0.754	S	S	*	*			trans	-115.3	152.4	-163.2	-101.2	-180	160.1	-174.6	-3.7	114.5
966	L	25.7	Very low	27.7	Very low	130 Å²	130	155.5 Å²	155.5	68%	0.681	77%	0.768	S	S	*	*			trans	47.8	118.4	154.8	-80.7	86.1	0	0	0	119
967	N	25.1	Very low	27.8	Very low	138 Å²	138	154.4 Å²	154.4	74%	0.738	77%	0.768	S	S	*	*				171.8	171.4	98.4	-93.7	-58.5	0	0	0	113.6
968	Q	26.6	Very low	27.5	Very low	173 Å²	173	156.1 Å²	156.1	81%	0.808	78%	0.777	S	S	*	*			trans	72.7	115.8	169.2	-41.7	-162.8	26.4	0	0	114.3
969	K	23.6	Very low	27.5	Very low	192 Å²	192	154 Å²	154	84%	0.835	77%	0.772	S	S	*	*				63.2	100.4	68	-71.7	-173.3	175.9	-178.3	0	114
970	T	25.4	Very low	27.5	Very low	140 Å²	140	154.5 Å²	154.5	86%	0.859	78%	0.776	S	S	*	*				-176.6	170.3	111.2	31.2	0	0	0	0	111.4
971	W	24	Very low	27.3	Very low	226 Å²	226	155.7 Å²	155.7	86%	0.856	78%	0.78	S	S	*	*			trans	-85.1	172.6	175.9	-67.2	36.8	0	0	0	111.1
972	H	28.5	Very low	27.2	Very low	186 Å²	186	155 Å²	155	86%	0.861	78%	0.784	S	S	*	*				-173.6	144.2	125.3	-99.2	-67.9	0	0	0	113.5
973	Y	24	Very low	26.9	Very low	211 Å²	211	156.3 Å²	156.3	83%	0.827	78%	0.783	S	S	*	*			trans	-88.8	161.5	158.9	-97	-119.7	0	0	0	109.2
974	G	24.3	Very low	27	Very low	78 Å²	78	156.2 Å²	156.2	80%	0.804	78%	0.783	S	S	*	*			trans	158.3	149.2	162.3	0	0	0	0	0	117
975	S	25.9	Very low	26.9	Very low	112 Å²	112	153.6 Å²	153.6	78%	0.783	77%	0.774	S	S	*	*			trans	-114.8	131.7	-170.8	-64.9	0	0	0	0	114.9
976	R	25.7	Very low	26.9	Very low	245 Å²	245	149.9 Å²	149.9	93%	0.925	77%	0.77	S	S	*	*			trans	60.7	179.6	156	-60.6	-174.9	-179.3	-152.6	2.4	115.9
977	P	32.3	Very low	27	Very low	103 Å²	103	151.7 Å²	151.7	67%	0.669	77%	0.772	S	S	*	*			cis	-128.7	172.5	-28.7	29.4	-9.8	0	0	0	115.2
978	I	24.2	Very low	27.2	Very low	160 Å²	160	154.1 Å²	154.1	82%	0.821	78%	0.777	S	S	*	*			trans	68.5	134.7	145.2	-71.3	162.7	0	0	0	121.5
979	S	26.9	Very low	27.2	Very low	86 Å²	86	151.5 Å²	151.5	60%	0.601	77%	0.773	S	S	*	*			trans	-27.5	148.1	176.8	59.6	0	0	0	0	122.7
980	N	28.7	Very low	27.3	Very low	141 Å²	141	147 Å²	147	75%	0.754	77%	0.766	S	S	*	*				-167	126.9	105.2	-101.5	-37	0	0	0	117.8
981	I	26.8	Very low	27.3	Very low	147 Å²	147	145.7 Å²	145.7	75%	0.754	76%	0.762	S	S	*	*			trans	15	123.3	138	-54.8	167.4	0	0	0	119.3
982	S	30.7	Very low	27.6	Very low	96 Å²	96	145 Å²	145	67%	0.671	77%	0.765	S	S	*	*				-176.1	123.2	111.1	-173	0	0	0	0	115.4
983	K	27.5	Very low	27.5	Very low	168 Å²	168	144 Å²	144	73%	0.73	76%	0.761	S	S	*	*			trans	23.7	131.8	141.5	-48.9	167.2	-173.2	167.2	0	121
984	D	35	Very low	27.8	Very low	141 Å²	141	144.8 Å²	144.8	75%	0.754	76%	0.762	S	S	*	*				-177.2	159.1	101.7	-91.9	-8.6	0	0	0	110.1
985	L	27.8	Very low	28	Very low	134 Å²	134	147.6 Å²	147.6	70%	0.702	75%	0.754	S	S	*	*			cis	-173	99.1	-37.5	-123.3	-179.8	0	0	0	106.7
986	L	26.8	Very low	28.3	Very low	140 Å²	140	149.1 Å²	149.1	73%	0.733	75%	0.748	S	S	*	*			trans	45.3	137.5	140.8	-100.4	160.2	0	0	0	123.3
987	K	26.4	Very low	28.5	Very low	169 Å²	169	142.6 Å²	142.6	74%	0.735	73%	0.732	S	S	*	*			trans	83.5	148.1	164.3	-51.3	159.9	-173.7	173.3	0	114
988	F	29.6	Very low	28.6	Very low	189 Å²	189	144.6 Å²	144.6	83%	0.829	73%	0.732	S	S	*	*			cis	-136.7	168.6	30.5	-112.7	-86.9	0	0	0	115.6
989	T	26.3	Very low	28.9	Very low	118 Å²	118	144.1 Å²	144.1	72%	0.724	73%	0.726	S	S	*	*			trans	-101.4	-176.5	179.8	58.4	0	0	0	0	112.8
990	S	26.6	Very low	29.2	Very low	98 Å²	98	148.3 Å²	148.3	69%	0.685	74%	0.736	S	S	*	*			trans	98.6	91.1	148.6	-51.5	0	0	0	0	119.4
991	S	25.8	Very low	29.5	Very low	111 Å²	111	146.3 Å²	146.3	78%	0.776	73%	0.731	S	S	*	*				55.9	131	123.7	67.2	0	0	0	0	121.8
992	K	30.9	Very low	29.7	Very low	212 Å²	212	145 Å²	145	92%	0.922	73%	0.73	S	S	*	*			trans	-151.5	117.2	133	-114.5	165	-171.8	172	0	112
993	Q	26.1	Very low	29.8	Very low	166 Å²	166	148.9 Å²	148.9	78%	0.776	74%	0.735	S	S	*	*			trans	-80.8	151.4	163.8	-58.7	161.6	-56.7	0	0	109.7
994	R	29.6	Very low	30.1	Very low	227 Å²	227	147.3 Å²	147.3	86%	0.857	73%	0.733	S	S	*	*				-177.1	110.6	119.7	-103.1	175.3	-105.5	-159.4	-8	114.1
995	H	28.6	Very low	30	Very low	137 Å²	137	146 Å²	146	63%	0.634	73%	0.73	S	S	*	*				58.4	143.9	111.4	-89.5	-100.4	0	0	0	123.5
996	H	31.9	Very low	30.3	Very low	144 Å²	144	144.6 Å²	144.6	67%	0.667	73%	0.728	S	S	*	*			trans	70.3	139.7	155.1	-63.9	-57	0	0	0	117.1
997	D	31.2	Very low	30.6	Very low	107 Å²	107	146 Å²	146	57%	0.572	73%	0.728	S	S	*	*			cis	-165.9	165.5	-2.3	-114.7	-18.5	0	0	0	112.2
998	H	33.7	Very low	30.8	Very low	145 Å²	145	144.8 Å²	144.8	67%	0.671	73%	0.729	S	S	*	*			trans	62.6	150.6	145	-68.5	-6.2	0	0	0	120.6
999	Q	31.1	Very low	31.2	Very low	150 Å²	150	140.9 Å²	140.9	70%	0.701	72%	0.723	S	S	*	*			cis	-164.4	163.7	-19.7	-128.7	170.4	-12.1	0	0	112.2
1000	E	32.5	Very low	31.3	Very low	175 Å²	175	141.1 Å²	141.1	82%	0.818	72%	0.72	S	S	*	*			trans	72.8	154	152.4	-66	-132.9	124.3	0	0	123.2
1001	P	35.1	Very low	31.3	Very low	99 Å²	99	143.9 Å²	143.9	64%	0.643	72%	0.722	S	S	*	*			trans	-141.9	-171.1	-155.7	35.9	-10.7	0	0	0	117.1
1002	T	30.5	Very low	31.4	Very low	120 Å²	120	145.2 Å²	145.2	74%	0.736	72%	0.719	S	S	*	*			trans	74.1	150.2	167.4	78.8	0	0	0	0	115.6
1003	K	32.5	Very low	31.3	Very low	177 Å²	177	139.4 Å²	139.4	77%	0.77	71%	0.705	S	S	*	*				-169.7	171.6	54.7	-126.9	162.5	-168.7	166.2	0	112.6
1004	I	33.7	Very low	31.6	Very low	135 Å²	135	138.9 Å²	138.9	69%	0.692	70%	0.702	S	S	*	*			trans	72.2	90.1	151	-71.5	164.4	0	0	0	115.7
1005	T	33.7	Very low	31.6	Very low	113 Å²	113	133.8 Å²	133.8	69%	0.693	69%	0.692	S	S	*	*				92.8	143.7	83.1	58.1	0	0	0	0	114.1
1006	T	33.1	Very low	31.8	Very low	105 Å²	105	132.3 Å²	132.3	64%	0.644	69%	0.688	S	S	*	*			cis	-168.2	147.2	-3.1	21	0	0	0	0	112
1007	K	33.3	Very low	31.9	Very low	170 Å²	170	130.3 Å²	130.3	74%	0.739	68%	0.683	S	S	*	*			trans	62.2	116.1	139.9	-65.3	170.1	-178.9	-177.8	0	121.7
1008	D	31.2	Very low	31.8	Very low	142 Å²	142	128.1 Å²	128.1	76%	0.759	68%	0.675	S	S	*	*				43.6	158.1	84	-50	-34.5	0	0	0	119.9
1009	P	37.6	Very low	31.7	Very low	107 Å²	107	126 Å²	126	70%	0.695	67%	0.669	S	S	*	*			cis	-143.4	-169.8	-32.8	36.1	-15.2	0	0	0	114
1010	D	27.9	Very low	31.7	Very low	124 Å²	124	123.6 Å²	123.6	66%	0.663	66%	0.664	S	S	*	*			trans	58.1	131.3	137.1	-86	20.7	0	0	0	125.7
1011	Q	27.7	Very low	31.6	Very low	155 Å²	155	121.9 Å²	121.9	72%	0.724	66%	0.661	S	S	*	*			trans	82	156	130.3	-74.1	-174.7	61.9	0	0	123.6
1012	I	28.1	Very low	31.3	Very low	140 Å²	140	125.9 Å²	125.9	72%	0.718	67%	0.669	S	S	*	*			trans	78.4	88.3	151.7	-71	152.8	0	0	0	120
1013	S	27.3	Very low	31.3	Very low	90 Å²	90	126.6 Å²	126.6	63%	0.629	67%	0.668	S	S	*	*				91.6	157.5	119.5	81.8	0	0	0	0	124.3
1014	H	32.7	Very low	31.2	Very low	154 Å²	154	122.7 Å²	122.7	71%	0.713	66%	0.661	S	S	*	*			trans	77.3	107	147.6	-72.8	-48.2	0	0	0	124.3
1015	N	30.4	Very low	30.9	Very low	120 Å²	120	121.6 Å²	121.6	64%	0.642	66%	0.66	S	S	*	*				80.6	120.9	116.5	-69.9	16	0	0	0	123.8
1016	N	32.1	Very low	30.7	Very low	106 Å²	106	124.7 Å²	124.7	57%	0.567	67%	0.667	S	S	*	*				101.4	128.7	122.1	-68.8	4.8	0	0	0	124.9	K1153	N1016-K1153 PolarHBondContact O-NZ 3.43Å
1017	N	34	Very low	30.4	Very low	102 Å²	102	126 Å²	126	55%	0.545	67%	0.669	S	S	.	*			trans	78.4	93.3	135	-65.4	8.8	0	0	0	123.1	K1153	N1017-K1153 WeakPolarHBondContact O-CD 3.32Å
1018	C	29.3	Very low	30.1	Very low	62 Å²	62	124.1 Å²	124.1	42%	0.419	67%	0.666	S	S	.	*				49.6	140.4	112.2	-52.1	0	0	0	0	123.4	I1152 S1154	C1018-I1152 CarbonylContact C-O 3.31Å; C1018-I1152 WeakPolarHBondContact O-CG2 3.28Å; C1018-S1154 WeakPolarHBondContact CA-OG 3.35Å; C1018-S1154 VanDerWaalsContact N-CB 3.34Å; C1018-S1154 PolarHBondContact N-OG 3.38Å
1019	N	31.9	Very low	30.2	Very low	99 Å²	99	122.7 Å²	122.7	53%	0.529	67%	0.667	S	S	.	*			trans	123.8	83.4	153.2	-62.5	-6.4	0	0	0	116	I1152 K1153	N1019-I1152 CarbonylContact C-O 2.97Å; N1019-I1152 VanDerWaalsContact CA-O 3.3Å; N1019-I1152 WeakPolarHBondContact CA-O 3.41Å; N1019-I1152 PolarHBondContact N-O 2.97Å; N1019-I1152 CarbonylContact O-C 3.6Å; N1019-I1152 VanDerWaalsContact O-C 3.31Å; N1019-I1152 PolarHBondContact O-N 3.46Å; N1019-K1153 CarbonylContact C-O 3.55Å; N1019-K1153 VanDerWaalsContact C-O 3.26Å; N1019-K1153 PolarHBondContact N-O 3.48Å; N1019-K1153 VanDerWaalsContact N-O 3.1Å
1020	T	30.7	Very low	29.7	Very low	100 Å²	100	122.6 Å²	122.6	61%	0.613	67%	0.665	S	S	*	*				48.7	120.3	91.6	67.2	0	0	0	0	117.8	K1153	T1020-K1153 PolarHBondContact N-O 3.04Å
1021	N	30.7	Very low	30	Very low	140 Å²	140	123.6 Å²	123.6	75%	0.749	68%	0.675	S	S	*	*			trans	155.5	121	131.8	-78.4	-16.5	0	0	0	112.2
1022	F	28.9	Very low	30	Very low	183 Å²	183	122.7 Å²	122.7	80%	0.803	68%	0.675	S	S	*	*				68.2	102.1	93.7	-88.7	-94.7	0	0	0	113.6
1023	D	30.2	Very low	30.2	Very low	134 Å²	134	125.8 Å²	125.8	72%	0.717	68%	0.684	S	S	*	*				93.9	173.6	93.8	-139.4	21.6	0	0	0	109.5
1024	P	31.3	Very low	30.1	Very low	95 Å²	95	130.1 Å²	130.1	62%	0.617	69%	0.694	S	S	*	*			cis	-139.6	175.1	-4.3	45.7	-28.1	0	0	0	116.8
1025	T	27.2	Very low	30	Very low	112 Å²	112	131.1 Å²	131.1	69%	0.687	70%	0.699	S	S	*	*			trans	32.1	114.5	141.6	60.9	0	0	0	0	123.6
1026	H	28.2	Very low	29.8	Very low	179 Å²	179	133.2 Å²	133.2	83%	0.829	71%	0.705	S	S	*	*				73.5	162	108.7	-120.8	-92	0	0	0	122.9
1027	I	27.9	Very low	29.6	Very low	133 Å²	133	136.4 Å²	136.4	68%	0.682	71%	0.714	S	S	*	*			trans	65	112.3	161.5	-3.3	176.4	0	0	0	121.9
1028	N	27.6	Very low	29.4	Very low	129 Å²	129	136.7 Å²	136.7	69%	0.69	72%	0.719	S	S	*	*				171.5	168.8	102	-97.7	-62.7	0	0	0	115.7
1029	S	31.6	Very low	29.3	Very low	112 Å²	112	142.2 Å²	142.2	78%	0.783	74%	0.736	S	S	*	*			trans	79.6	91.3	-172.7	75.2	0	0	0	0	113.8
1030	T	28.4	Very low	29.2	Very low	106 Å²	106	143.1 Å²	143.1	65%	0.65	75%	0.745	S	S	*	*			cis	79.1	79.1	21.9	-34.6	0	0	0	0	114.7
1031	V	32.9	Very low	29	Very low	144 Å²	144	144.5 Å²	144.5	87%	0.873	75%	0.749	S	S	*	*			trans	-135.4	138.8	158.7	-179.9	0	0	0	0	108.8
1032	N	28	Very low	28.9	Very low	136 Å²	136	149 Å²	149	73%	0.727	76%	0.757	S	S	*	*			trans	-89.8	144	-170.6	-66.3	-44.3	0	0	0	114.4
1033	K	33	Very low	29	Very low	205 Å²	205	147.8 Å²	147.8	89%	0.891	75%	0.754	S	S	*	*			trans	179.1	101.1	146.2	-98.5	159.7	-176.4	-176	0	106.2
1034	Q	26.1	Very low	28.8	Very low	182 Å²	182	145.6 Å²	145.6	85%	0.85	75%	0.749	S	S	*	*				60.4	142.1	62.2	-87.3	-175.3	-28.5	0	0	115.2
1035	E	29.9	Very low	28.6	Very low	174 Å²	174	147.7 Å²	147.7	81%	0.813	76%	0.755	S	S	*	*			trans	72.3	98.4	-176.8	-59.5	178.2	178.5	0	0	113.7
1036	Q	26.8	Very low	28.6	Very low	164 Å²	164	154.2 Å²	154.2	77%	0.766	77%	0.767	S	S	*	*				67.3	125.9	74.4	-62.5	-178.4	12	0	0	112.1
1037	F	27.2	Very low	28.4	Very low	174 Å²	174	152.4 Å²	152.4	76%	0.763	76%	0.763	S	S	*	*				-158.4	151.8	60.4	-120.3	-99	0	0	0	114.1
1038	V	29.3	Very low	28.2	Very low	107 Å²	107	152.6 Å²	152.6	65%	0.648	77%	0.765	S	S	*	*			trans	48.4	111.7	153.6	159.6	0	0	0	0	118.9
1039	K	27.6	Very low	28.1	Very low	179 Å²	179	155.5 Å²	155.5	78%	0.778	77%	0.774	S	S	*	*				68.7	144.9	70.9	-69.5	-177	175.7	-178.1	0	113.8
1040	T	30.3	Very low	27.8	Very low	118 Å²	118	162.1 Å²	162.1	72%	0.724	78%	0.782	S	S	*	*			cis	-148.1	154.6	17.7	-23.6	0	0	0	0	112.5
1041	D	26.2	Very low	27.6	Very low	129 Å²	129	167.2 Å²	167.2	69%	0.69	80%	0.796	S	S	*	*			trans	-66.5	169.9	171.1	-41.3	-102	0	0	0	113.6
1042	Y	29	Very low	27.3	Very low	233 Å²	233	165.8 Å²	165.8	91%	0.914	79%	0.792	S	S	*	*				-155.6	147.5	120.4	-121.7	-79.1	0	0	0	113.3
1043	H	29.9	Very low	27.2	Very low	158 Å²	158	165.6 Å²	165.6	73%	0.731	79%	0.792	S	S	*	*			trans	-110.7	136.7	-164.4	-129.9	-87.4	0	0	0	113.2
1044	S	26.9	Very low	27.1	Very low	89 Å²	89	162 Å²	162	62%	0.622	79%	0.789	S	S	*	*			trans	67.2	162.9	145.7	72.9	0	0	0	0	122.8
1045	N	26.3	Very low	27.1	Very low	138 Å²	138	162 Å²	162	74%	0.738	79%	0.786	S	S	*	*			trans	75.2	80.4	153.1	-62	-21.2	0	0	0	121.4
1046	R	27	Very low	27	Very low	249 Å²	249	159.7 Å²	159.7	94%	0.94	78%	0.78	S	S	*	*			trans	-171.4	95.1	139.1	-102.2	168.9	-167.6	-147.2	2.6	106.9
1047	L	24.9	Very low	27.1	Very low	142 Å²	142	158 Å²	158	74%	0.743	79%	0.786	S	S	*	*			cis	66.4	101.1	49.4	-127.9	-177.2	0	0	0	112.7
1048	N	24.2	Very low	27.2	Very low	136 Å²	136	159.2 Å²	159.2	73%	0.727	79%	0.791	S	S	*	*			trans	49.6	82.7	161.4	-64.7	-6.3	0	0	0	120.1
1049	Q	25.4	Very low	27.1	Very low	190 Å²	190	162.5 Å²	162.5	89%	0.888	79%	0.792	S	S	*	*			trans	-165.4	154.9	133.9	-112.1	159.4	81.3	0	0	111.5
1050	W	24.8	Very low	27.2	Very low	251 Å²	251	161.2 Å²	161.2	95%	0.951	79%	0.793	S	S	*	*			trans	103.5	47.4	-178.8	-67.8	35.3	0	0	0	117.8
1051	F	24.4	Very low	27.1	Very low	213 Å²	213	167 Å²	167	93%	0.934	80%	0.802	S	S	*	*			trans	-88	115.6	144.3	-93.4	-90.3	0	0	0	108.9
1052	S	25.8	Very low	27.3	Very low	114 Å²	114	168.6 Å²	168.6	80%	0.797	81%	0.809	S	S	*	*	S	Bend	trans	152.3	129.3	148.8	-72.7	0	0	0	0	113
1053	N	26.7	Very low	27.2	Very low	133 Å²	133	167 Å²	167	71%	0.711	80%	0.801	S	S	*	*			trans	48.5	119.5	159	-70.3	-18.6	0	0	0	121.3
1054	P	30.3	Very low	27.1	Very low	129 Å²	129	164.6 Å²	164.6	84%	0.838	80%	0.802	S	S	*	*			trans	-100.6	5.3	145.5	34.6	-30.9	0	0	0	114.3	N1056	P1054-N1056 PolarHBondContact O-N 3.4Å
1055	F	26.6	Very low	27.3	Very low	182 Å²	182	168.5 Å²	168.5	80%	0.798	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	93.3	165.1	-100.3	-86	0	0	0	110.3
1056	N	28	Very low	27.3	Very low	126 Å²	126	172.8 Å²	172.8	67%	0.674	82%	0.82	S	S	*	*	T	Hydrogen-bonded Turn	trans	171.6	-8	144.7	-98.9	-57.2	0	0	0	115.9	P1054 F1058	P1054-N1056 PolarHBondContact O-N 3.4Å; N1056-F1058 PolarHBondContact O-N 3.21Å
1057	S	29	Very low	27.4	Very low	127 Å²	127	169.8 Å²	169.8	89%	0.888	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	38.3	-166.1	-149.8	0	0	0	0	116.9
1058	F	28.7	Very low	27.7	Very low	200 Å²	200	170.2 Å²	170.2	88%	0.877	81%	0.81	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.7	-9.7	170.7	-151.3	-102	0	0	0	115.6	N1056	N1056-F1058 PolarHBondContact O-N 3.21Å
1059	R	28.1	Very low	27.8	Very low	177 Å²	177	172.8 Å²	172.8	67%	0.668	82%	0.815	S	S	*	*	S	Bend	trans	-89.8	1.6	-176.1	-150.2	167.9	-176.3	162.7	1.1	115	E95	E95-R1059 IonicContact OE1-CZ 3.76Å; E95-R1059 IonicContact OE1-NH2 2.87Å; E95-R1059 PolarHBondContact OE1-NH2 2.97Å; E95-R1059 IonicContact OE2-CZ 3.46Å; E95-R1059 IonicContact OE2-NH2 2.73Å; E95-R1059 PolarHBondContact OE2-NH2 3.15Å
1060	N	28.2	Very low	28	Very low	151 Å²	151	170 Å²	170	81%	0.807	81%	0.806	S	S	*	*	S	Bend	trans	-124.7	27	-166.5	-83.7	-18.5	0	0	0	116.7
1061	R	28.1	Very low	28.1	Very low	241 Å²	241	163.2 Å²	163.2	91%	0.909	79%	0.793	S	S	*	*	S	Bend	trans	-131.1	13.9	177.9	-133.7	176.8	-167.4	171.1	4.3	117.7
1062	I	31.5	Very low	28.3	Very low	162 Å²	162	157.4 Å²	157.4	83%	0.831	78%	0.779	S	S	*	*	S	Bend	trans	-130.8	56.2	176.6	-43.5	-179.2	0	0	0	111.4
1063	R	26	Very low	28.4	Very low	198 Å²	198	158.3 Å²	158.3	75%	0.747	77%	0.774	S	S	*	*	S	Bend	trans	-148.1	34.4	170	-82.6	-152.8	175.3	121.2	2.2	115.3
1064	S	28.3	Very low	28.5	Very low	109 Å²	109	159.8 Å²	159.8	76%	0.762	78%	0.776	S	S	*	*			trans	-156.4	86.9	166	60.1	0	0	0	0	113.5
1065	I	31.1	Very low	28.4	Very low	170 Å²	170	158.2 Å²	158.2	87%	0.872	77%	0.769	S	S	*	*			trans	-167	103.4	136.2	-92.6	146.7	0	0	0	105.5
1066	R	26.8	Very low	28.7	Very low	229 Å²	229	157.9 Å²	157.9	86%	0.864	77%	0.77	S	S	*	*			trans	-76.1	145.1	145.5	-69.5	172.7	170.6	164.8	-5.8	105.1
1067	F	29.4	Very low	28.8	Very low	186 Å²	186	156.8 Å²	156.8	82%	0.816	77%	0.768	S	S	*	*				-157	176.2	110	-114.6	-79.1	0	0	0	110.6
1068	K	30.3	Very low	28.7	Very low	150 Å²	150	157.2 Å²	157.2	65%	0.652	76%	0.759	S	S	*	*			trans	-69.4	140.9	-153.7	-68.7	169.1	177.9	-178.7	0	113.8	D1070	K1068-D1070 WeakPolarHBondContact CB-OD2 3.15Å; K1068-D1070 WeakPolarHBondContact CD-OD2 3.16Å; K1068-D1070 PolarHBondContact O-N 2.94Å; K1068-D1070 VanDerWaalsContact O-N 3.15Å
1069	K	25.7	Very low	28.8	Very low	191 Å²	191	153 Å²	153	83%	0.83	75%	0.749	S	S	*	*			trans	-48.8	102.7	134.9	172	-166.6	-179.1	-178.4	0	108.9
1070	D	30.2	Very low	28.7	Very low	130 Å²	130	149.6 Å²	149.6	70%	0.695	75%	0.749	S	S	*	*			trans	-119.7	128	157.9	-81.7	-57	0	0	0	107.5	K1068	K1068-D1070 WeakPolarHBondContact CB-OD2 3.15Å; K1068-D1070 WeakPolarHBondContact CD-OD2 3.16Å; K1068-D1070 PolarHBondContact O-N 2.94Å; K1068-D1070 VanDerWaalsContact O-N 3.15Å
1071	T	27.4	Very low	28.6	Very low	110 Å²	110	148.1 Å²	148.1	68%	0.675	75%	0.745	S	S	*	*			trans	-97.5	168.6	-172.2	42.6	0	0	0	0	112
1072	S	27.3	Very low	28.6	Very low	91 Å²	91	141.9 Å²	141.9	64%	0.636	73%	0.734	S	S	*	*			trans	83.6	152.5	158.3	82.9	0	0	0	0	117.1
1073	N	28.4	Very low	28.3	Very low	132 Å²	132	139.6 Å²	139.6	71%	0.706	73%	0.728	S	S	*	*			trans	58.2	122.1	153.4	-55.7	-12.8	0	0	0	115.9
1074	H	29.6	Very low	28.4	Very low	164 Å²	164	135.8 Å²	135.8	76%	0.759	73%	0.727	S	S	*	*			cis	163.2	172.4	8.3	-124.4	-64	0	0	0	101.9
1075	S	28.3	Very low	28.6	Very low	97 Å²	97	137 Å²	137	68%	0.678	72%	0.724	S	S	*	*			trans	63.1	147.6	166.8	28.9	0	0	0	0	115
1076	Q	32.2	Very low	28.7	Very low	174 Å²	174	134.9 Å²	134.9	81%	0.813	72%	0.715	S	S	*	*			cis	-167.7	148.8	-4.2	-113.5	161.3	10.1	0	0	103.5
1077	T	29.8	Very low	29	Very low	103 Å²	103	130.2 Å²	130.2	63%	0.632	71%	0.707	S	S	*	*			cis	-153.8	133.2	8.6	-59.5	0	0	0	0	102.7
1078	I	28.2	Very low	29.2	Very low	137 Å²	137	127.2 Å²	127.2	70%	0.703	70%	0.7	S	S	*	*				44.7	124.1	89.8	-47	156.9	0	0	0	110
1079	T	29.9	Very low	29.3	Very low	111 Å²	111	125.7 Å²	125.7	68%	0.681	70%	0.699	S	S	*	*				-157.4	124.8	55.7	-26.8	0	0	0	0	104.8
1080	T	25.4	Very low	29.6	Very low	106 Å²	106	122.6 Å²	122.6	65%	0.65	69%	0.691	S	S	*	*				44.8	145.2	72	60.6	0	0	0	0	115.1
1081	T	26.2	Very low	29.6	Very low	119 Å²	119	122.6 Å²	122.6	73%	0.73	69%	0.691	S	S	*	*			trans	64.1	152.7	163.5	49.2	0	0	0	0	115.7
1082	T	27.7	Very low	29.8	Very low	111 Å²	111	123.2 Å²	123.2	68%	0.681	69%	0.69	S	S	*	*			cis	-159.2	150.6	6.8	-5.8	0	0	0	0	110.4
1083	T	26.6	Very low	29.9	Very low	114 Å²	114	125 Å²	125	70%	0.699	69%	0.692	S	S	*	*			trans	35.9	155.7	144.8	53.6	0	0	0	0	124.2
1084	T	28.1	Very low	30	Very low	118 Å²	118	122.7 Å²	122.7	72%	0.724	69%	0.687	S	S	*	*			trans	79.6	136.8	144.2	37.7	0	0	0	0	121.7
1085	N	31.6	Very low	30	Very low	134 Å²	134	121 Å²	121	72%	0.717	68%	0.684	S	S	*	*			trans	75.9	106.1	146.3	-69.4	-5.9	0	0	0	120.8
1086	N	33.2	Very low	30.1	Very low	126 Å²	126	121.5 Å²	121.5	67%	0.674	68%	0.679	S	S	*	*				55.5	111.3	117.2	-69.1	-4.3	0	0	0	119.8
1087	N	32.6	Very low	30.2	Very low	130 Å²	130	121 Å²	121	70%	0.695	67%	0.674	S	S	*	*				78.6	145.6	121.8	-64.6	-7.4	0	0	0	120.6
1088	N	34.3	Very low	30.4	Very low	124 Å²	124	123.2 Å²	123.2	66%	0.663	68%	0.682	S	S	*	*			trans	75.6	101.6	146.7	-68.6	-5.1	0	0	0	118.7
1089	N	33.1	Very low	30.6	Very low	118 Å²	118	120 Å²	120	63%	0.631	68%	0.683	S	S	*	*				80.1	109.8	112.9	-64	-9.8	0	0	0	118.3
1090	N	31.1	Very low	30.8	Very low	125 Å²	125	122.7 Å²	122.7	67%	0.668	69%	0.691	S	S	*	*				85.8	136.8	116.9	-67.3	-7.5	0	0	0	119.3
1091	N	30.7	Very low	30.9	Very low	130 Å²	130	127.7 Å²	127.7	70%	0.695	70%	0.698	S	S	*	*			trans	87.7	131	133.2	-79.2	-2.2	0	0	0	119.7
1092	N	31.2	Very low	31.2	Very low	123 Å²	123	127.3 Å²	127.3	66%	0.658	70%	0.699	S	S	*	*			trans	85.1	110.9	137.8	-67.5	-9.9	0	0	0	118.5
1093	N	29.4	Very low	31.2	Very low	128 Å²	128	131.7 Å²	131.7	68%	0.684	71%	0.705	S	S	*	*				80.7	89.6	122.1	-64.6	-19.1	0	0	0	118
1094	S	30.5	Very low	31.4	Very low	85 Å²	85	131.1 Å²	131.1	59%	0.594	71%	0.705	S	S	*	*				94.8	163.5	99.8	77.9	0	0	0	0	117.2
1095	N	29.9	Very low	31.6	Very low	129 Å²	129	131 Å²	131	69%	0.69	71%	0.706	S	S	*	*			trans	56.5	123.5	142.8	-67.7	-33.4	0	0	0	116.9
1096	N	31.1	Very low	31.4	Very low	107 Å²	107	130.3 Å²	130.3	57%	0.572	71%	0.707	S	S	*	*			cis	177.1	162	28.7	-130.9	-40.8	0	0	0	109.6
1097	K	34.1	Very low	31.3	Very low	162 Å²	162	131.4 Å²	131.4	70%	0.704	72%	0.718	S	S	*	*			trans	67.9	148.7	149.7	-66.4	159.3	-168.1	169.9	0	116.7
1098	N	34.4	Very low	31	Very low	151 Å²	151	129.8 Å²	129.8	81%	0.807	72%	0.717	S	S	*	*			cis	-156.2	135.8	1	-121.2	-10.1	0	0	0	113.3
1099	G	32.7	Very low	30.8	Very low	70 Å²	70	130.3 Å²	130.3	72%	0.722	72%	0.724	S	S	*	*			trans	83.1	155.2	146.1	0	0	0	0	0	118.8
1100	I	33	Very low	30.5	Very low	166 Å²	166	129.3 Å²	129.3	85%	0.851	73%	0.727	S	S	*	*			cis	-139.7	141.6	-6.5	-65.3	-174.7	0	0	0	110.2
1101	R	28.3	Very low	30.4	Very low	211 Å²	211	129.5 Å²	129.5	80%	0.796	73%	0.732	S	S	*	*			trans	-31.8	165.2	161.5	-67.3	171.4	163.7	167.4	-6.6	116.3	Y1103	R1101-Y1103 HydrophobicContact CG-CD2 4.44Å
1102	C	31.1	Very low	30.3	Very low	111 Å²	111	128 Å²	128	75%	0.75	73%	0.732	S	S	*	*			cis	-137.7	153.7	28.1	-50.4	0	0	0	0	110.7
1103	Y	28.7	Very low	30.3	Very low	204 Å²	204	128 Å²	128	80%	0.8	74%	0.737	S	S	*	*				54.6	135.7	55.9	-70.5	-87	0	0	0	112.7	R1101	R1101-Y1103 HydrophobicContact CG-CD2 4.44Å
1104	S	30.3	Very low	30.4	Very low	102 Å²	102	126.6 Å²	126.6	71%	0.713	74%	0.737	S	S	*	*			cis	-163.9	-172.5	17.1	-132	0	0	0	0	109.2
1105	P	33.2	Very low	30.2	Very low	115 Å²	115	127.3 Å²	127.3	75%	0.747	74%	0.742	S	S	*	*			cis	-130.5	178.3	-13.2	39.3	-22.3	0	0	0	114.6
1106	V	27.5	Very low	30	Very low	120 Å²	120	126 Å²	126	73%	0.727	74%	0.743	S	S	*	*			trans	-101.9	154.7	168.9	168.8	0	0	0	0	110.2
1107	V	29.6	Very low	29.8	Very low	149 Å²	149	125.3 Å²	125.3	90%	0.903	75%	0.747	S	S	*	*			trans	-121.5	130.8	153.6	177.8	0	0	0	0	108.2
1108	S	26.2	Very low	29.5	Very low	96 Å²	96	123.7 Å²	123.7	67%	0.671	75%	0.746	S	S	*	*			trans	-149	135.2	-172.8	49.9	0	0	0	0	111.8
1109	T	30.1	Very low	29.1	Very low	134 Å²	134	121.3 Å²	121.3	82%	0.822	74%	0.737	S	S	*	*			trans	-146.2	127.5	162.6	45	0	0	0	0	107.8
1110	S	27	Very low	28.8	Very low	98 Å²	98	121.8 Å²	121.8	69%	0.685	73%	0.725	S	S	*	*			cis	111	92.1	15.2	72.7	0	0	0	0	113.3
1111	T	30.6	Very low	28.4	Very low	128 Å²	128	121.6 Å²	121.6	79%	0.785	72%	0.715	S	S	*	*			trans	-177.2	111.8	148.7	35.6	0	0	0	0	106.3
1112	S	28.3	Very low	28.5	Very low	99 Å²	99	120.9 Å²	120.9	69%	0.692	71%	0.714	S	S	*	*				53.7	122.4	80	72.9	0	0	0	0	112.3
1113	T	31.4	Very low	28.2	Very low	122 Å²	122	120.6 Å²	120.6	75%	0.748	70%	0.697	S	S	*	*			cis	-154.6	147.5	43.1	40.8	0	0	0	0	115
1114	S	30.1	Very low	28.2	Very low	100 Å²	100	115.8 Å²	115.8	70%	0.699	69%	0.685	S	S	*	*			trans	-3.7	154.8	131.8	53.2	0	0	0	0	120.2
1115	S	27.2	Very low	28.1	Very low	100 Å²	100	116 Å²	116	70%	0.699	68%	0.682	S	S	*	*			cis	-176.5	163.4	-9	48.5	0	0	0	0	112.5
1116	S	26.2	Very low	27.9	Very low	101 Å²	101	117.8 Å²	117.8	71%	0.706	69%	0.685	S	S	*	*			trans	71.1	140.2	148.1	68.9	0	0	0	0	122.6
1117	S	25.7	Very low	27.9	Very low	93 Å²	93	116.3 Å²	116.3	65%	0.65	68%	0.68	S	S	*	*			trans	96	127.2	147.9	-43.3	0	0	0	0	120.5
1118	N	27.5	Very low	27.8	Very low	127 Å²	127	113.3 Å²	113.3	68%	0.679	67%	0.671	S	S	*	*			trans	74.5	125.7	136.4	-65.7	-5.2	0	0	0	118.9
1119	T	25.8	Very low	27.9	Very low	101 Å²	101	113.4 Å²	113.4	62%	0.62	67%	0.668	S	S	*	*				82.9	128.1	86.6	-59.4	0	0	0	0	112.3
1120	V	26.5	Very low	27.9	Very low	80 Å²	80	113.4 Å²	113.4	49%	0.485	66%	0.658	S	S	.	*			cis	-173.4	157.9	-3.7	91.6	0	0	0	0	112.4	I914	I914-V1120 HydrophobicContact CD1-CG2 4.22Å; I914-V1120 HydrophobicContact CG1-CG2 4.23Å
1121	Y	25.4	Very low	27.8	Very low	163 Å²	163	116.4 Å²	116.4	64%	0.639	67%	0.666	S	S	*	*			trans	63.6	175.9	162.9	-65.5	-161.4	0	0	0	115.7
1122	Y	29.4	Very low	27.8	Very low	195 Å²	195	116.6 Å²	116.6	77%	0.765	67%	0.667	S	S	*	*			cis	-146.2	163	15.8	-119.9	-71.1	0	0	0	113.6
1123	R	26.5	Very low	27.7	Very low	105 Å²	105	116.2 Å²	116.2	40%	0.396	66%	0.664	S	S	.	*			trans	-72.5	171.1	157.1	-83.8	160.4	171.5	134	-24.3	110.1	N917 Y918	N917-R1123 VanDerWaalsContact OD1-CD 3.25Å; N917-R1123 WeakPolarHBondContact OD1-CD 3.48Å; N917-R1123 VanDerWaalsContact OD1-CG 3.29Å; N917-R1123 WeakPolarHBondContact OD1-CG 3.32Å; N917-R1123 PolarHBondContact OD1-NE 3.45Å; N917-R1123 PolarHBondContact OD1-NH1 2.89Å; Y918-R1123 HydrophobicContact CE2-CG 4.12Å; Y918-R1123 VanDerWaalsContact CG-NH2 3.3Å; Y918-R1123 VanDerWaalsContact CZ-NE 3.32Å
1124	N	27.2	Very low	27.4	Very low	103 Å²	103	116.7 Å²	116.7	55%	0.551	67%	0.667	S	S	*	*			cis	-158.5	152	24	-128.7	13.1	0	0	0	108
1125	V	28.2	Very low	27.4	Very low	107 Å²	107	119.4 Å²	119.4	65%	0.648	67%	0.672	S	S	*	*				45.1	103	101.1	-175.7	0	0	0	0	115.7
1126	N	29.8	Very low	27.3	Very low	153 Å²	153	123.4 Å²	123.4	82%	0.818	68%	0.68	S	S	*	*				-171.8	177.3	118.3	-108.7	-10.1	0	0	0	115.5
1127	S	26.8	Very low	27.5	Very low	88 Å²	88	125 Å²	125	62%	0.615	69%	0.685	S	S	*	*			trans	-81.6	-168.8	-166.7	48.6	0	0	0	0	116.7
1128	A	28.6	Very low	27.7	Very low	87 Å²	87	127 Å²	127	72%	0.719	69%	0.693	S	S	*	*			trans	73	141.9	166.1	0	0	0	0	0	116.3
1129	T	27.9	Very low	28.1	Very low	97 Å²	97	126 Å²	126	60%	0.595	69%	0.694	S	S	*	*			cis	177.5	176.7	-27.4	16.1	0	0	0	0	104.5
1130	E	29.7	Very low	28.2	Very low	134 Å²	134	126.1 Å²	126.1	63%	0.626	70%	0.699	S	S	*	*			trans	68.8	126.2	171.3	-72.1	151.4	-139.4	0	0	116.1	N948	N948-E1130 PolarHBondContact ND2-OE1 3.38Å
1131	L	25	Very low	28.6	Very low	162 Å²	162	127.4 Å²	127.4	85%	0.848	71%	0.712	S	S	*	*			cis	83.8	87.2	47.8	-72.2	171.6	0	0	0	114.7
1132	T	30.1	Very low	28.8	Very low	132 Å²	132	124.8 Å²	124.8	81%	0.81	72%	0.717	S	S	*	*			trans	-174.8	114.9	137.9	37.1	0	0	0	0	106.5
1133	S	26.3	Very low	29.1	Very low	90 Å²	90	120.4 Å²	120.4	63%	0.629	71%	0.712	S	S	*	*				83.9	114.4	55.2	74.7	0	0	0	0	114.4
1134	T	26.2	Very low	29.2	Very low	132 Å²	132	124.3 Å²	124.3	81%	0.81	73%	0.732	S	S	*	*			trans	61.4	157.6	158.6	62.4	0	0	0	0	116.5
1135	I	30.1	Very low	29.3	Very low	158 Å²	158	127.5 Å²	127.5	81%	0.81	75%	0.748	S	S	*	*			cis	-141.3	156	29.7	-74.7	173.4	0	0	0	111.1
1136	E	24.5	Very low	29.3	Very low	184 Å²	184	129.4 Å²	129.4	86%	0.86	75%	0.749	S	S	*	*			trans	-82	149.8	174.4	-50.7	172.4	119.1	0	0	113.4
1137	V	30.6	Very low	29.4	Very low	134 Å²	134	130.1 Å²	130.1	81%	0.812	75%	0.752	S	S	*	*			trans	-142.9	124.9	149.5	-175.9	0	0	0	0	110.6
1138	T	30.2	Very low	29.7	Very low	134 Å²	134	131.7 Å²	131.7	82%	0.822	75%	0.753	S	S	*	*			trans	-132.1	140.9	155.9	60.9	0	0	0	0	109.1
1139	P	34.7	Very low	30	Very low	106 Å²	106	134.3 Å²	134.3	69%	0.688	76%	0.755	S	S	*	*				-137.1	156.3	118.5	16.8	4.7	0	0	0	111.5
1140	S	28.9	Very low	30.3	Very low	104 Å²	104	136.1 Å²	136.1	73%	0.727	76%	0.761	S	S	*	*			cis	97.7	155.9	26.5	95.2	0	0	0	0	115.3
1141	S	33.8	Very low	30.5	Very low	108 Å²	108	133.9 Å²	133.9	76%	0.755	76%	0.76	S	S	*	*			trans	69.9	133	-167.7	69.5	0	0	0	0	116.5
1142	S	30.4	Very low	30.7	Very low	108 Å²	108	130.4 Å²	130.4	76%	0.755	74%	0.742	S	S	*	*			cis	87.5	166.7	20	92	0	0	0	0	115.2
1143	P	36.1	Very low	30.7	Very low	102 Å²	102	130.4 Å²	130.4	66%	0.662	73%	0.73	S	S	*	*			cis	-140.7	176.6	-6.1	41.7	-23.7	0	0	0	117.2
1144	K	29	Very low	30.9	Very low	188 Å²	188	128.7 Å²	128.7	82%	0.817	72%	0.718	S	S	*	*			trans	46.5	144	142	-71.6	173.3	179.8	-175.8	0	123.7
1145	I	29.5	Very low	31.1	Very low	170 Å²	170	128.7 Å²	128.7	87%	0.872	72%	0.718	S	S	*	*				-163.4	156.2	115.5	-99.8	158.3	0	0	0	110.2
1146	Q	27.7	Very low	31	Very low	146 Å²	146	124.3 Å²	124.3	68%	0.682	71%	0.712	S	S	*	*			trans	-108.7	168.9	-179.1	-67.4	164.1	-110.7	0	0	111.7
1147	I	32.3	Very low	31.2	Very low	169 Å²	169	122.3 Å²	122.3	87%	0.867	71%	0.713	S	S	*	*				-168.4	147.5	121.8	-96.4	153	0	0	0	109.4
1148	D	31.4	Very low	31.1	Very low	121 Å²	121	123.4 Å²	123.4	65%	0.647	71%	0.713	S	S	*	*			trans	-95.1	162.5	-172.2	-53.1	-89.5	0	0	0	113
1149	D	34.9	Very low	31	Very low	141 Å²	141	122 Å²	122	75%	0.754	71%	0.707	S	S	*	*				-178.4	137.9	111.7	-107.6	-22.2	0	0	0	114.6
1150	N	35	Very low	30.6	Very low	136 Å²	136	128 Å²	128	73%	0.727	72%	0.715	S	S	*	*			trans	41.4	143.1	144.8	-58.7	-49.5	0	0	0	122.6
1151	S	32.8	Very low	30.4	Very low	87 Å²	87	127.6 Å²	127.6	61%	0.608	72%	0.718	S	S	*	*			cis	179.9	172.8	-11.8	71.1	0	0	0	0	107.4
1152	I	30.6	Very low	30	Very low	89 Å²	89	133.8 Å²	133.8	46%	0.456	73%	0.725	S	S	.	*			cis	-161.8	131.3	2.1	-144.3	165.3	0	0	0	110.8	C1018 N1019	C1018-I1152 CarbonylContact C-O 3.31Å; C1018-I1152 WeakPolarHBondContact O-CG2 3.28Å; N1019-I1152 CarbonylContact C-O 2.97Å; N1019-I1152 VanDerWaalsContact CA-O 3.3Å; N1019-I1152 WeakPolarHBondContact CA-O 3.41Å; N1019-I1152 PolarHBondContact N-O 2.97Å; N1019-I1152 CarbonylContact O-C 3.6Å; N1019-I1152 VanDerWaalsContact O-C 3.31Å; N1019-I1152 PolarHBondContact O-N 3.46Å
1153	K	30.3	Very low	29.9	Very low	131 Å²	131	133.9 Å²	133.9	57%	0.57	72%	0.717	S	S	*	*			trans	58.5	-179	160.9	-59.7	161.4	173.4	-173	0	117.1	N1016 N1017 N1019 T1020	N1016-K1153 PolarHBondContact O-NZ 3.43Å; N1017-K1153 WeakPolarHBondContact O-CD 3.32Å; N1019-K1153 CarbonylContact C-O 3.55Å; N1019-K1153 VanDerWaalsContact C-O 3.26Å; N1019-K1153 PolarHBondContact N-O 3.48Å; N1019-K1153 VanDerWaalsContact N-O 3.1Å; T1020-K1153 PolarHBondContact N-O 3.04Å
1154	S	30	Very low	29.5	Very low	55 Å²	55	141.2 Å²	141.2	39%	0.385	73%	0.732	S	S	.	*			cis	-144.2	153.1	-14.4	57.1	0	0	0	0	110.8	C1018	C1018-S1154 WeakPolarHBondContact CA-OG 3.35Å; C1018-S1154 VanDerWaalsContact N-CB 3.34Å; C1018-S1154 PolarHBondContact N-OG 3.38Å
1155	T	30.4	Very low	29.3	Very low	131 Å²	131	137.4 Å²	137.4	80%	0.804	72%	0.719	S	S	*	*			trans	19.5	142	143.6	61.8	0	0	0	0	121.2
1156	G	28.2	Very low	29.4	Very low	66 Å²	66	137.7 Å²	137.7	68%	0.68	71%	0.714	S	S	*	*			cis	113.7	146.6	14.5	0	0	0	0	0	113.1
1157	T	28.4	Very low	29.4	Very low	142 Å²	142	136.5 Å²	136.5	87%	0.871	72%	0.719	S	S	*	*			trans	88.8	120.4	171.6	-19.6	0	0	0	0	119.8
1158	L	28	Very low	29.2	Very low	158 Å²	158	134.2 Å²	134.2	83%	0.827	72%	0.717	S	S	*	*			trans	-34.9	162	150.6	-75.1	153.6	0	0	0	114.9
1159	P	28.4	Very low	29	Very low	105 Å²	105	134.2 Å²	134.2	68%	0.682	73%	0.726	S	S	*	*				-161.9	-170.1	51.8	45.7	-23	0	0	0	120.1
1160	R	25.8	Very low	28.7	Very low	232 Å²	232	137.7 Å²	137.7	88%	0.875	73%	0.729	S	S	*	*			trans	66.1	90.2	149.3	-79.4	171	175.5	170.3	-0.7	120.8
1161	A	24.5	Very low	28.3	Very low	95 Å²	95	138.9 Å²	138.9	79%	0.785	73%	0.734	S	S	*	*				14.3	132.9	126.9	0	0	0	0	0	121.8
1162	R	27	Very low	28	Very low	238 Å²	238	142.9 Å²	142.9	90%	0.898	74%	0.74	S	S	*	*				-164.8	140.2	128	-107.4	161	-172	-173.6	2.1	113.7
1163	N	26.7	Very low	27.9	Very low	110 Å²	110	144.3 Å²	144.3	59%	0.588	76%	0.758	S	S	*	*			trans	-63.6	150.9	178.1	-44	8.3	0	0	0	113.1
1164	R	27.8	Very low	27.8	Very low	256 Å²	256	148.4 Å²	148.4	97%	0.966	77%	0.77	S	S	*	*				-156.6	140	129	-110.6	163.3	-170.8	-154.3	-0.1	113.5
1165	L	26.2	Very low	27.8	Very low	107 Å²	107	153.8 Å²	153.8	56%	0.56	79%	0.787	S	S	*	*			trans	-90.6	156.2	-159.8	-74.8	149.1	0	0	0	115.2
1166	K	30.1	Very low	27.8	Very low	176 Å²	176	156.3 Å²	156.3	77%	0.765	79%	0.786	S	S	*	*			trans	70.6	167	139.3	-83.4	-178.7	177.9	-176.6	0	117.6
1167	P	29.1	Very low	27.8	Very low	121 Å²	121	159.4 Å²	159.4	79%	0.786	79%	0.786	S	S	*	*			cis	-124.4	167.3	10.1	41.2	-27.1	0	0	0	117.5
1168	C	27.3	Very low	28	Very low	122 Å²	122	159.2 Å²	159.2	82%	0.824	79%	0.785	S	S	*	*			trans	-90	160.6	167.5	-40.7	0	0	0	0	111.1
1169	S	27.9	Very low	28.1	Very low	120 Å²	120	155.1 Å²	155.1	84%	0.839	78%	0.78	S	S	*	*			trans	-144.1	111.3	157.6	55.7	0	0	0	0	112.6
1170	R	28	Very low	28.3	Very low	214 Å²	214	160.3 Å²	160.3	81%	0.808	79%	0.792	S	S	*	*			trans	-66.8	150.4	163.2	-67	171.5	169.4	161.6	-7.8	109.7
1171	I	26.3	Very low	28.6	Very low	161 Å²	161	162.4 Å²	162.4	83%	0.826	81%	0.808	S	S	*	*			trans	-136.8	131.9	142.3	-69.5	-169.2	0	0	0	108.7
1172	F	27.7	Very low	28.8	Very low	171 Å²	171	165.8 Å²	165.8	75%	0.75	81%	0.809	S	S	*	*			trans	-87.2	156.7	169.4	-98.8	-105	0	0	0	110.9
1173	S	28	Very low	28.9	Very low	119 Å²	119	161.9 Å²	161.9	83%	0.832	80%	0.804	S	S	*	*			trans	-122.9	157.1	146.4	57.9	0	0	0	0	109.7
1174	R	29	Very low	29	Very low	218 Å²	218	164.8 Å²	164.8	82%	0.823	82%	0.816	S	S	*	*			trans	-148.6	162.3	-152.9	-160.8	-178.5	-175.5	-172.2	2.7	110.2
1175	K	29.8	Very low	29.1	Very low	168 Å²	168	159.5 Å²	159.5	73%	0.73	81%	0.807	S	S	*	*			trans	75.6	157.3	171.6	-56.2	177.8	176.3	178.9	0	114.3
1176	K	29.5	Very low	29.3	Very low	183 Å²	183	162.8 Å²	162.8	80%	0.796	82%	0.823	S	S	*	*			cis	-129.7	133.9	9	-116.7	145.9	175.6	-168.8	0	108.8
1177	I	28.4	Very low	29.2	Very low	131 Å²	131	161.9 Å²	161.9	67%	0.672	83%	0.827	S	S	*	*				49.4	108.9	91.2	-48.9	170.9	0	0	0	113.9
1178	T	33.5	Very low	29.2	Very low	139 Å²	139	164.8 Å²	164.8	85%	0.853	83%	0.83	S	S	*	*				-173.2	109	113.8	32.8	0	0	0	0	113.7
1179	G	30.1	Very low	29.4	Very low	71 Å²	71	168.1 Å²	168.1	73%	0.732	83%	0.83	S	S	*	*			trans	19.7	140.7	143	0	0	0	0	0	125.4
1180	K	31.1	Very low	29.5	Very low	214 Å²	214	172.1 Å²	172.1	93%	0.93	83%	0.829	S	S	*	*			trans	75.6	143.9	157.2	-54.1	178.9	-178	-179.2	0	115
1181	K	32.7	Very low	29.6	Very low	276 Å²	276	168.3 Å²	168.3	100%	1.2	83%	0.831	S	S	*	*			cis	-127.5	0	12.8	-158.4	-176.9	-174.3	-171.7	0	111.5

Retrieved 1,181 of 1,181 residues in 472.9 ms (Link to these results)

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