A0A3Q0KSY2_SCHMA Loading...

Putative axis inhibition protein, axin

AlphaFold DB , UniProt , Accession A0A3Q0KSY2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,428 aa.

						>A0A3Q0KSY2_SCHMA|A0A3Q0KSY2
MDVVIDSRDSVSNLDQSRWGINLDNLLNDSDGVEFFNKFLSYKHSASHLLDFWFACKGFRSNADLSNPDKLFQVAKVIYRTYIKSGASHAVPLPYILKQNINECLSSYHHGYKKGLSSNASVQPPDRCLFDSAQNVVKSLLEQKYYPEFLTFIACPSNLLCITSNGPLCSDRKTRNKYLEFLYSDYKLESRRSNRTKHKSFSEYNRFSADQSPGAKNFHPLFTPDYYLANNNNCNVPSTSEQISTNPFVRLTTSWTSSTIQSPVIHSAQPDLHYDKSCKSNHYHHRSTSRHQFLNIHDHPLPGGIPKMPMTANDSILTDNHLQQMDNHTKDTTNSKRQHDDSNICDSQSPFANQSFFVNNNNNPHPVNSSSQILTQTPITSSSGITMQSVNSTSNNIDLSFIHSLNLQQTHQSDNLIKESNNNNNPPKINWTIRKQTNLAESDPVSFVQLLTDRLEKVKESRGKLEKLMSLVNHQVDEKHPTESKNTLPIGQTDSYGFISVNQHNSSLHSDHLNWSQLKPNSFINTTNSIMNETNSSTIQQHTLNYPHHSTLIMNTGSQLLNGVNKSQDAQEILDDHCSRIWADESDMNMDTQLLLSYSKRQQSDIMHTPVSSQPLLMTPYPSMLCDTLVNSMKHNTTGIVRNGSNITEYELKKSTEQSRLAAVVVSSIESSCVPSSNNNNNNNNNNNRTAIPDNSHRRRHITASGGNVSYRSFSRPNKADLRSIASWDSGVVSNYYEKKHRLHHHHHDDLDIMDDTVDTASILEAASLQALSSSTTELALVNGEVTAKLVEKIIRHYPRGIFDGDDDYIKKNHTNTIEQSYFKSSQFKETSNLNYAYPFSSSRLRRRSKQCESFYESPSSSLSYPIPGVHLNSTCSANNNTTATTGTCQQQHPGIMIPCECHRCIHCTHSPSALNDHLSANYCNCNYIHQLNDKPQQSTNCHSQQLPIITASDTSSTFDSGISSAYDQLPLRKQVNNNRENRSQSLHSWQTNPNFKGKHLSTPRGNRTHSASKSMYDNNNNDNDDSNNNNSVTTTYTRECPLKNCLISSCYEFDSKQTTPGQQFSQHTMNDLHLCDSCSSIHHHYHNLRHHYRHSHLLHHHHSHCPELMVNDLKYKYDMNNDFEKPTSGKLLQHWLQLQQNSSEPLHASLRPPATTTTTTANDDDDNDEQKVKSLSSDNAVLLSNDNSQAQISKTSKESSSHARKSHHHHHHHSHRKSSAHRIGNNNNVNIATNNSSTNNKNPKHSINFDNNLESTNNIRLDFDENNDDHDENNTSSSTRLNSKLSSSSSVMMQQSCHTTSTTGSSGAGLVVGYYLCDDPVPYRTVWTGGSHNPPPSSSSISSSGLFVEVNDQSETVDNFQTKLSNQSLLTLGQFKQLIAKKGVYRYFFKKPNDEFGTGVVHEELTNDNAILPLWEGKVVARVERAD
					

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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	32.5	Very low	35.4	Very low	217 Å²	217	131.7 Å²	131.7	100%	1.069	72%	0.715	S	S	*	*				0	105.6	0	-92.1	-163.4	175.9	0	0	105.9
2	D	27.2	Very low	36.3	Very low	150 Å²	150	124 Å²	124	80%	0.802	68%	0.678	S	S	*	*			trans	-118.9	88.2	-133.2	-48.9	-68.4	0	0	0	108	V4	D2-V4 PolarHBondContact O-N 2.74Å
3	V	33.3	Very low	37.4	Very low	135 Å²	135	124.9 Å²	124.9	82%	0.818	68%	0.682	S	S	*	*			trans	-70.4	110.4	170.9	-178	0	0	0	0	106.6	I5	V3-I5 PolarHBondContact O-N 3.32Å; V3-I5 VanDerWaalsContact O-N 3.1Å
4	V	33.8	Very low	38.1	Very low	130 Å²	130	124.3 Å²	124.3	79%	0.788	68%	0.677	S	S	*	*			trans	-62	113.2	-179.4	178.2	0	0	0	0	108.7	D2 D6	D2-V4 PolarHBondContact O-N 2.74Å; V4-D6 PolarHBondContact O-N 3.09Å
5	I	34.4	Very low	39.6	Very low	148 Å²	148	119 Å²	119	76%	0.759	65%	0.648	S	S	*	*			trans	-72.5	114.1	171.2	-59.6	175.8	0	0	0	106.7	V3 S7	V3-I5 PolarHBondContact O-N 3.32Å; V3-I5 VanDerWaalsContact O-N 3.1Å; I5-S7 PolarHBondContact O-N 3.33Å; I5-S7 PolarHBondContact O-OG 2.83Å
6	D	31	Very low	41.1	Very low	116 Å²	116	113.9 Å²	113.9	62%	0.62	62%	0.618	S	S	*	*			trans	-71.3	116.8	-177.3	-156.8	-4.5	0	0	0	109.8	V4 R8	V4-D6 PolarHBondContact O-N 3.09Å; D6-R8 PolarHBondContact O-N 3.31Å
7	S	34.1	Very low	42.5	Very low	109 Å²	109	112 Å²	112	76%	0.762	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	49.1	-159.7	-59.9	0	0	0	0	114.3	I5	I5-S7 PolarHBondContact O-N 3.33Å; I5-S7 PolarHBondContact O-OG 2.83Å
8	R	39.2	Very low	44.6	Very low	194 Å²	194	114 Å²	114	73%	0.732	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	-8.1	-175.4	-75.5	178.3	163.7	154.8	-4.5	115.4	D6 S10	D6-R8 PolarHBondContact O-N 3.31Å; R8-S10 VanDerWaalsContact C-N 3.35Å; R8-S10 PolarHBondContact O-N 2.9Å
9	D	35.4	Very low	46.8	Very low	116 Å²	116	108.4 Å²	108.4	62%	0.62	58%	0.581	S	S	*	*			trans	-83.3	1.4	-170.6	-100	29	0	0	0	116	N165	D9-N165 PolarHBondContact OD2-ND2 3.48Å
10	S	39.3	Very low	48.6	Very low	92 Å²	92	104.7 Å²	104.7	64%	0.643	57%	0.57	S	S	*	*			trans	-101.9	97.4	176.7	63.3	0	0	0	0	112.2	R8 S12	R8-S10 VanDerWaalsContact C-N 3.35Å; R8-S10 PolarHBondContact O-N 2.9Å; S10-S12 PolarHBondContact O-N 3.47Å
11	V	49.1	Very low	50.3	Low	42 Å²	42	105.1 Å²	105.1	26%	0.255	57%	0.571	S	S	.	*			trans	-61.7	104.1	156.4	175.3	0	0	0	0	106.6	W19 F35 T163	V11-W19 HydrophobicContact CG1-CH2 4.24Å; V11-F35 HydrophobicContact CG2-CE2 3.92Å; V11-F35 HydrophobicContact CG2-CZ 3.67Å; V11-T163 HydrophobicContact CB-CG2 4Å; V11-T163 HydrophobicContact CG2-CG2 3.59Å
12	S	46	Very low	52.9	Low	39 Å²	39	97.6 Å²	97.6	27%	0.273	54%	0.535	S	S	.	.			trans	-76.5	160.5	-168.7	85	0	0	0	0	110.6	S10 L14 D15	S10-S12 PolarHBondContact O-N 3.47Å; S12-L14 PolarHBondContact O-N 3.36Å; S12-L14 WeakPolarHBondContact OG-CB 3.36Å; S12-L14 PolarHBondContact OG-N 3.29Å; S12-D15 WeakPolarHBondContact CA-OD2 3.42Å; S12-D15 VanDerWaalsContact CB-OD2 3.26Å; S12-D15 WeakPolarHBondContact CB-OD2 3.4Å; S12-D15 PolarHBondContact N-OD2 2.62Å; S12-D15 PolarHBondContact O-N 2.68Å; S12-D15 VanDerWaalsContact OG-CG 3.29Å; S12-D15 PolarHBondContact OG-OD2 2.67Å
13	N	50.7	Low	56	Low	136 Å²	136	90.5 Å²	90.5	73%	0.727	50%	0.497	S	S	*	.	H	α-helix	trans	-63.1	-20.1	173.1	-142.5	-85.3	0	0	0	111.6
14	L	48	Very low	58.8	Low	116 Å²	116	86.8 Å²	86.8	61%	0.607	47%	0.473	S	S	*	.	H	α-helix	trans	-71.6	-32.4	-179.9	-150.8	72.4	0	0	0	112.7	S12 S17 R18	S12-L14 PolarHBondContact O-N 3.36Å; S12-L14 WeakPolarHBondContact OG-CB 3.36Å; S12-L14 PolarHBondContact OG-N 3.29Å; L14-S17 WeakPolarHBondContact O-CB 3.33Å; L14-S17 PolarHBondContact O-N 3.22Å; L14-R18 PolarHBondContact O-N 3.3Å
15	D	60.5	Low	61.4	Low	45 Å²	45	83.8 Å²	83.8	24%	0.241	45%	0.452	C	S	.	.	H	α-helix	trans	-78.6	-39.2	-172.8	-50.7	-51.2	0	0	0	110.8	S12 S17 R18 W19	S12-D15 WeakPolarHBondContact CA-OD2 3.42Å; S12-D15 VanDerWaalsContact CB-OD2 3.26Å; S12-D15 WeakPolarHBondContact CB-OD2 3.4Å; S12-D15 PolarHBondContact N-OD2 2.62Å; S12-D15 PolarHBondContact O-N 2.68Å; S12-D15 VanDerWaalsContact OG-CG 3.29Å; S12-D15 PolarHBondContact OG-OD2 2.67Å; D15-S17 PolarHBondContact O-N 2.7Å; D15-R18 WeakPolarHBondContact O-CB 3.06Å; D15-R18 PolarHBondContact O-N 3.43Å; D15-W19 HydrophobicContact CB-CH2 4.45Å; D15-W19 HydrophobicContact CB-CZ2 4.05Å; D15-W19 VanDerWaalsContact O-CG 3.29Å; D15-W19 PolarHBondContact O-N 3.04Å
16	Q	63.9	Low	64.2	Low	37 Å²	37	76.7 Å²	76.7	17%	0.173	42%	0.416	C	S	.	.	H	α-helix	trans	-56.2	-37.3	168.5	-62.1	165.8	44.8	0	0	111.8	W19 G20 L159	Q16-W19 PolarHBondContact O-N 3.45Å; Q16-G20 PolarHBondContact O-N 3.02Å; Q16-L159 HydrophobicContact CG-CD2 4.41Å
17	S	64.9	Low	67.1	Low	82 Å²	82	71.3 Å²	71.3	57%	0.573	39%	0.387	S	S	*	.	H	α-helix	trans	-65.5	-39.9	176.3	-171.3	0	0	0	0	111.9	L14 D15 G20 I21	L14-S17 WeakPolarHBondContact O-CB 3.33Å; L14-S17 PolarHBondContact O-N 3.22Å; D15-S17 PolarHBondContact O-N 2.7Å; S17-G20 PolarHBondContact O-N 2.84Å; S17-I21 WeakPolarHBondContact O-CG1 3.47Å
18	R	79.3	Confident	69.7	Low	148 Å²	148	71.4 Å²	71.4	56%	0.558	38%	0.379	S	S	*	.	H	α-helix	trans	-64.9	-45.5	175.4	-68.1	173.7	169.7	-121.4	-3.8	112.1	L14 D15 G20	L14-R18 PolarHBondContact O-N 3.3Å; D15-R18 WeakPolarHBondContact O-CB 3.06Å; D15-R18 PolarHBondContact O-N 3.43Å; R18-G20 VanDerWaalsContact C-N 3.29Å; R18-G20 PolarHBondContact O-N 2.8Å
19	W	86.4	Confident	72.2	Confident	7 Å²	7	64 Å²	64	3%	0.027	35%	0.354	C	S	.	.	H	α-helix	trans	-69.3	-24.4	-179.9	-58.5	-14.1	0	0	0	113.5	V11 D15 Q16 I21 L26 D29 D31 G32 F35 Y146 F149 I153	V11-W19 HydrophobicContact CG1-CH2 4.24Å; D15-W19 HydrophobicContact CB-CH2 4.45Å; D15-W19 HydrophobicContact CB-CZ2 4.05Å; D15-W19 VanDerWaalsContact O-CG 3.29Å; D15-W19 PolarHBondContact O-N 3.04Å; Q16-W19 PolarHBondContact O-N 3.45Å; W19-I21 VanDerWaalsContact C-N 3.34Å; W19-L26 HydrophobicContact CB-CD1 3.98Å; W19-L26 HydrophobicContact CD2-CD1 4.14Å; W19-L26 HydrophobicContact CG-CD1 3.76Å; W19-D29 PolarHBondContact NE1-OD2 2.98Å; W19-D31 HydrophobicContact CZ2-CB 4.47Å; W19-G32 VanDerWaalsContact CE2-CA 3.47Å; W19-F35 AromaticContact CH2-CD2 3.34Å; W19-F35 HydrophobicContact CH2-CD2 3.34Å; W19-F35 AromaticContact CH2-CE2 3.8Å; W19-F35 HydrophobicContact CH2-CE2 3.8Å; W19-F35 HydrophobicContact CH2-CG 4.28Å; W19-F35 HydrophobicContact CZ2-CD2 4.08Å; W19-F35 AromaticContact CZ3-CD2 3.95Å; W19-F35 HydrophobicContact CZ3-CD2 3.95Å; W19-Y146 WeakPolarHBondContact O-CE2 3.16Å; W19-Y146 PolarHBondContact O-OH 3.47Å; W19-F149 HydrophobicContact CE3-CE1 4.43Å; W19-F149 HydrophobicContact CE3-CZ 4.14Å; W19-I153 HydrophobicContact CE3-CD1 4.25Å
20	G	83.3	Confident	74.8	Confident	34 Å²	34	62.7 Å²	62.7	35%	0.351	35%	0.354	S	S	.	.	H	α-helix	trans	-72.4	-19.8	179.1	0	0	0	0	0	115.4	Q16 S17 R18 Y146	Q16-G20 PolarHBondContact O-N 3.02Å; S17-G20 PolarHBondContact O-N 2.84Å; R18-G20 VanDerWaalsContact C-N 3.29Å; R18-G20 PolarHBondContact O-N 2.8Å; G20-Y146 PolarHBondContact O-OH 3.38Å
21	I	84.5	Confident	77.1	Confident	115 Å²	115	63 Å²	63	59%	0.59	35%	0.348	S	S	*	.	S	Bend	trans	-69.1	-54	-171.4	-63.3	165.4	0	0	0	111.7	S17 W19	S17-I21 WeakPolarHBondContact O-CG1 3.47Å; W19-I21 VanDerWaalsContact C-N 3.34Å
22	N	87.6	Confident	79	Confident	58 Å²	58	61 Å²	61	31%	0.31	34%	0.336	S	S	.	.			trans	-162.6	165.3	175.6	60.8	47.7	0	0	0	110.9	D24 N25 L26 Y146	N22-D24 VanDerWaalsContact C-N 3.25Å; N22-D24 PolarHBondContact O-N 3.09Å; N22-D24 PolarHBondContact OD1-N 2.89Å; N22-D24 VanDerWaalsContact OD1-N 3.12Å; N22-N25 PolarHBondContact O-N 3.48Å; N22-N25 PolarHBondContact OD1-N 3.29Å; N22-N25 PolarHBondContact OD1-OD1 3.43Å; N22-L26 PolarHBondContact O-N 2.68Å; N22-Y146 VanDerWaalsContact C-OH 3.25Å; N22-Y146 WeakPolarHBondContact CA-OH 3.2Å; N22-Y146 PolarHBondContact N-OH 3.01Å; N22-Y146 VanDerWaalsContact N-OH 3.12Å
23	L	91.8	Very high	81.2	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-61	-31.7	177.9	177.6	63	0	0	0	112.8	L26 L27 F36 K138 L141 E142 Y146	L23-L26 HydrophobicContact CD1-CD2 4.18Å; L23-L26 WeakPolarHBondContact O-CB 3.24Å; L23-L26 PolarHBondContact O-N 3.23Å; L23-L27 HydrophobicContact CD1-CD1 3.87Å; L23-L27 HydrophobicContact CD1-CD2 4.33Å; L23-L27 HydrophobicContact CD1-CG 3.79Å; L23-L27 HydrophobicContact CD2-CD1 4.12Å; L23-L27 HydrophobicContact CG-CD1 3.7Å; L23-L27 HydrophobicContact CG-CG 4.03Å; L23-L27 WeakPolarHBondContact O-CB 3.31Å; L23-L27 VanDerWaalsContact O-CG 3.28Å; L23-L27 WeakPolarHBondContact O-CG 3.19Å; L23-L27 PolarHBondContact O-N 3.31Å; L23-F36 HydrophobicContact CD1-CE1 3.86Å; L23-F36 HydrophobicContact CD1-CZ 4.38Å; L23-K138 HydrophobicContact CD2-CG 4.04Å; L23-L141 HydrophobicContact CD2-CB 3.72Å; L23-E142 HydrophobicContact CB-CG 4.23Å; L23-E142 HydrophobicContact CD2-CB 3.74Å; L23-E142 HydrophobicContact CD2-CG 4.23Å; L23-Y146 HydrophobicContact CB-CD2 4.11Å; L23-Y146 HydrophobicContact CB-CE2 4.35Å; L23-Y146 HydrophobicContact CB-CG 4.27Å; L23-Y146 HydrophobicContact CD1-CD2 3.96Å; L23-Y146 HydrophobicContact CD1-CG 4.41Å
24	D	91.6	Very high	83.1	Confident	58 Å²	58	59.6 Å²	59.6	31%	0.31	32%	0.322	S	S	.	.	H	α-helix	trans	-71	-32.6	-178.1	-65	-78.2	0	0	0	112.9	N22 L27 N28 K138	N22-D24 VanDerWaalsContact C-N 3.25Å; N22-D24 PolarHBondContact O-N 3.09Å; N22-D24 PolarHBondContact OD1-N 2.89Å; N22-D24 VanDerWaalsContact OD1-N 3.12Å; D24-L27 PolarHBondContact O-N 3.42Å; D24-N28 WeakPolarHBondContact O-CB 3.32Å; D24-N28 VanDerWaalsContact O-CG 3.3Å; D24-N28 PolarHBondContact O-N 2.86Å; D24-N28 VanDerWaalsContact O-N 3.13Å; D24-N28 PolarHBondContact O-ND2 3.17Å; D24-K138 WeakPolarHBondContact OD1-CE 3.34Å; D24-K138 IonicContact OD1-NZ 3.65Å; D24-K138 WeakPolarHBondContact OD2-CE 3.46Å; D24-K138 IonicContact OD2-NZ 3.9Å; D24-K138 PolarHBondContact OD2-NZ 3.45Å
25	N	89.1	Confident	85	Confident	66 Å²	66	55.8 Å²	55.8	35%	0.353	30%	0.301	S	S	.	.	H	α-helix	trans	-65.5	-46.2	170	-74.8	2.4	0	0	0	110.3	N22 L27 N28 D29	N22-N25 PolarHBondContact O-N 3.48Å; N22-N25 PolarHBondContact OD1-N 3.29Å; N22-N25 PolarHBondContact OD1-OD1 3.43Å; N25-L27 VanDerWaalsContact C-N 3.3Å; N25-L27 PolarHBondContact O-N 2.82Å; N25-N28 PolarHBondContact O-N 2.88Å; N25-D29 PolarHBondContact O-N 3.22Å
26	L	92.3	Very high	86.6	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.5	-37.6	175.3	178.5	63.4	0	0	0	112.5	W19 N22 L23 G32 V33 F36 Y146 F149	W19-L26 HydrophobicContact CB-CD1 3.98Å; W19-L26 HydrophobicContact CD2-CD1 4.14Å; W19-L26 HydrophobicContact CG-CD1 3.76Å; N22-L26 PolarHBondContact O-N 2.68Å; L23-L26 HydrophobicContact CD1-CD2 4.18Å; L23-L26 WeakPolarHBondContact O-CB 3.24Å; L23-L26 PolarHBondContact O-N 3.23Å; L26-G32 WeakPolarHBondContact CD1-O 3.46Å; L26-V33 WeakPolarHBondContact O-CG2 3.44Å; L26-F36 HydrophobicContact CD1-CB 4.37Å; L26-F36 HydrophobicContact CD2-CB 4.09Å; L26-F36 HydrophobicContact CD2-CD1 3.89Å; L26-F36 HydrophobicContact CD2-CD2 4.26Å; L26-F36 HydrophobicContact CD2-CE1 4.34Å; L26-F36 HydrophobicContact CD2-CG 3.85Å; L26-F36 HydrophobicContact CG-CB 4.39Å; L26-F36 HydrophobicContact CG-CD1 4.46Å; L26-Y146 HydrophobicContact CB-CE2 4.45Å; L26-Y146 HydrophobicContact CD2-CD2 3.76Å; L26-Y146 HydrophobicContact CD2-CE2 3.96Å; L26-F149 HydrophobicContact CD1-CE1 3.67Å; L26-F149 HydrophobicContact CD1-CZ 4.03Å; L26-F149 HydrophobicContact CD2-CD1 3.67Å; L26-F149 HydrophobicContact CD2-CE1 3.58Å; L26-F149 HydrophobicContact CD2-CZ 4.43Å; L26-F149 HydrophobicContact CG-CE1 4.3Å
27	L	92.4	Very high	88	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.01	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-1.1	-179.5	-67	-179.3	0	0	0	115.3	L23 D24 N25 V33 F36 L50 W53 F54	L23-L27 HydrophobicContact CD1-CD1 3.87Å; L23-L27 HydrophobicContact CD1-CD2 4.33Å; L23-L27 HydrophobicContact CD1-CG 3.79Å; L23-L27 HydrophobicContact CD2-CD1 4.12Å; L23-L27 HydrophobicContact CG-CD1 3.7Å; L23-L27 HydrophobicContact CG-CG 4.03Å; L23-L27 WeakPolarHBondContact O-CB 3.31Å; L23-L27 VanDerWaalsContact O-CG 3.28Å; L23-L27 WeakPolarHBondContact O-CG 3.19Å; L23-L27 PolarHBondContact O-N 3.31Å; D24-L27 PolarHBondContact O-N 3.42Å; N25-L27 VanDerWaalsContact C-N 3.3Å; N25-L27 PolarHBondContact O-N 2.82Å; L27-V33 HydrophobicContact CD2-CG2 4.3Å; L27-F36 HydrophobicContact CD2-CD1 4.33Å; L27-L50 HydrophobicContact CD2-CD2 3.52Å; L27-W53 HydrophobicContact CB-CH2 3.76Å; L27-W53 HydrophobicContact CB-CZ2 4.34Å; L27-W53 HydrophobicContact CB-CZ3 3.98Å; L27-W53 HydrophobicContact CD1-CD2 4.08Å; L27-W53 HydrophobicContact CD1-CE3 4.29Å; L27-W53 HydrophobicContact CD1-CH2 3.94Å; L27-W53 HydrophobicContact CD1-CZ2 3.73Å; L27-W53 HydrophobicContact CD1-CZ3 4.22Å; L27-W53 HydrophobicContact CG-CH2 4.46Å; L27-F54 HydrophobicContact CD2-CE2 4.44Å; L27-F54 HydrophobicContact CD2-CZ 4.46Å
28	N	89.3	Confident	89.1	Confident	111 Å²	111	53.3 Å²	53.3	59%	0.594	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-6	171.1	-71.7	-46.6	0	0	0	112.7	D24 N25 K57	D24-N28 WeakPolarHBondContact O-CB 3.32Å; D24-N28 VanDerWaalsContact O-CG 3.3Å; D24-N28 PolarHBondContact O-N 2.86Å; D24-N28 VanDerWaalsContact O-N 3.13Å; D24-N28 PolarHBondContact O-ND2 3.17Å; N25-N28 PolarHBondContact O-N 2.88Å; N28-K57 PolarHBondContact OD1-NZ 3.29Å
29	D	91.1	Very high	89.7	Confident	40 Å²	40	46.4 Å²	46.4	21%	0.214	25%	0.253	C	S	.	.			trans	-94.6	129.3	172.4	-169.3	-30.7	0	0	0	110	W19 N25 D31 G32 V33	W19-D29 PolarHBondContact NE1-OD2 2.98Å; N25-D29 PolarHBondContact O-N 3.22Å; D29-D31 PolarHBondContact OD1-N 3.2Å; D29-G32 PolarHBondContact OD1-N 3.1Å; D29-V33 WeakPolarHBondContact O-CB 3.21Å; D29-V33 WeakPolarHBondContact O-CG2 3.39Å; D29-V33 PolarHBondContact O-N 2.86Å
30	S	89.6	Confident	90	Very high	88 Å²	88	46 Å²	46	62%	0.615	25%	0.252	S	S	*	.	H	α-helix	trans	-65.7	-42.7	-179.2	-172.1	0	0	0	0	111.8	V33 E34	S30-V33 PolarHBondContact O-N 2.85Å; S30-E34 PolarHBondContact O-N 3.3Å; S30-E34 VanDerWaalsContact O-N 3.08Å
31	D	87.1	Confident	90.3	Very high	99 Å²	99	46.9 Å²	46.9	53%	0.529	25%	0.252	S	S	.	.	H	α-helix	trans	-78.5	-40.5	-172.3	-56.9	-9.1	0	0	0	108.6	W19 D29 V33 E34 F35	W19-D31 HydrophobicContact CZ2-CB 4.47Å; D29-D31 PolarHBondContact OD1-N 3.2Å; D31-V33 VanDerWaalsContact C-N 3.33Å; D31-V33 PolarHBondContact O-N 3.36Å; D31-E34 PolarHBondContact O-N 2.75Å; D31-E34 VanDerWaalsContact O-N 3.15Å; D31-F35 HydrophobicContact CB-CE2 4.44Å; D31-F35 WeakPolarHBondContact O-CD2 2.99Å; D31-F35 PolarHBondContact O-N 3.37Å
32	G	89.7	Confident	90.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-56.6	-42.6	170.1	0	0	0	0	0	113.1	W19 L26 D29 F36	W19-G32 VanDerWaalsContact CE2-CA 3.47Å; L26-G32 WeakPolarHBondContact CD1-O 3.46Å; D29-G32 PolarHBondContact OD1-N 3.1Å; G32-F36 VanDerWaalsContact O-CB 3.29Å; G32-F36 WeakPolarHBondContact O-CB 3.46Å; G32-F36 PolarHBondContact O-N 3.32Å
33	V	92.4	Very high	90.3	Very high	25 Å²	25	47.1 Å²	47.1	15%	0.152	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-43.5	173.4	166.8	0	0	0	0	111.7	L26 L27 D29 S30 D31 F36 N37 F54	L26-V33 WeakPolarHBondContact O-CG2 3.44Å; L27-V33 HydrophobicContact CD2-CG2 4.3Å; D29-V33 WeakPolarHBondContact O-CB 3.21Å; D29-V33 WeakPolarHBondContact O-CG2 3.39Å; D29-V33 PolarHBondContact O-N 2.86Å; S30-V33 PolarHBondContact O-N 2.85Å; D31-V33 VanDerWaalsContact C-N 3.33Å; D31-V33 PolarHBondContact O-N 3.36Å; V33-F36 PolarHBondContact O-N 3.19Å; V33-N37 VanDerWaalsContact O-CB 3.23Å; V33-N37 WeakPolarHBondContact O-CB 3.39Å; V33-N37 PolarHBondContact O-N 2.89Å; V33-F54 HydrophobicContact CB-CZ 4.41Å; V33-F54 HydrophobicContact CG1-CE2 3.69Å; V33-F54 HydrophobicContact CG1-CZ 3.85Å; V33-F54 HydrophobicContact CG2-CE2 4.12Å; V33-F54 HydrophobicContact CG2-CZ 3.6Å
34	E	90	Very high	90.1	Very high	119 Å²	119	49.6 Å²	49.6	56%	0.556	26%	0.256	S	S	*	.	H	α-helix	trans	-62.6	-49.3	177.6	-166.5	-172.4	134.5	0	0	111.1	S30 D31 F36 N37 K38	S30-E34 PolarHBondContact O-N 3.3Å; S30-E34 VanDerWaalsContact O-N 3.08Å; D31-E34 PolarHBondContact O-N 2.75Å; D31-E34 VanDerWaalsContact O-N 3.15Å; E34-F36 VanDerWaalsContact C-N 3.33Å; E34-F36 PolarHBondContact O-N 3.48Å; E34-N37 PolarHBondContact O-N 3.29Å; E34-K38 VanDerWaalsContact O-CB 3.23Å; E34-K38 WeakPolarHBondContact O-CB 3.35Å; E34-K38 PolarHBondContact O-N 3.13Å
35	F	89.1	Confident	89.9	Confident	36 Å²	36	51.4 Å²	51.4	16%	0.158	27%	0.273	C	S	.	.	H	α-helix	trans	-62	-38.8	178.4	-71.5	-58.7	0	0	0	112.7	V11 W19 D31 F39 F149 I162	V11-F35 HydrophobicContact CG2-CE2 3.92Å; V11-F35 HydrophobicContact CG2-CZ 3.67Å; W19-F35 AromaticContact CH2-CD2 3.34Å; W19-F35 HydrophobicContact CH2-CD2 3.34Å; W19-F35 AromaticContact CH2-CE2 3.8Å; W19-F35 HydrophobicContact CH2-CE2 3.8Å; W19-F35 HydrophobicContact CH2-CG 4.28Å; W19-F35 HydrophobicContact CZ2-CD2 4.08Å; W19-F35 AromaticContact CZ3-CD2 3.95Å; W19-F35 HydrophobicContact CZ3-CD2 3.95Å; D31-F35 HydrophobicContact CB-CE2 4.44Å; D31-F35 WeakPolarHBondContact O-CD2 2.99Å; D31-F35 PolarHBondContact O-N 3.37Å; F35-F39 VanDerWaalsContact O-CB 3.27Å; F35-F39 WeakPolarHBondContact O-CB 3.43Å; F35-F39 PolarHBondContact O-N 3.3Å; F35-F149 HydrophobicContact CB-CE2 4.42Å; F35-F149 HydrophobicContact CB-CZ 4.48Å; F35-I162 HydrophobicContact CD1-CG2 3.26Å; F35-I162 HydrophobicContact CE1-CG2 3.34Å; F35-I162 HydrophobicContact CG-CG2 4.22Å; F35-I162 HydrophobicContact CZ-CG2 4.35Å
36	F	93.3	Very high	90	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-70	-36.9	175.5	-172.3	-140	0	0	0	112.2	L23 L26 L27 G32 V33 E34 F39 L40 L50 L141 F149	L23-F36 HydrophobicContact CD1-CE1 3.86Å; L23-F36 HydrophobicContact CD1-CZ 4.38Å; L26-F36 HydrophobicContact CD1-CB 4.37Å; L26-F36 HydrophobicContact CD2-CB 4.09Å; L26-F36 HydrophobicContact CD2-CD1 3.89Å; L26-F36 HydrophobicContact CD2-CD2 4.26Å; L26-F36 HydrophobicContact CD2-CE1 4.34Å; L26-F36 HydrophobicContact CD2-CG 3.85Å; L26-F36 HydrophobicContact CG-CB 4.39Å; L26-F36 HydrophobicContact CG-CD1 4.46Å; L27-F36 HydrophobicContact CD2-CD1 4.33Å; G32-F36 VanDerWaalsContact O-CB 3.29Å; G32-F36 WeakPolarHBondContact O-CB 3.46Å; G32-F36 PolarHBondContact O-N 3.32Å; V33-F36 PolarHBondContact O-N 3.19Å; E34-F36 VanDerWaalsContact C-N 3.33Å; E34-F36 PolarHBondContact O-N 3.48Å; F36-F39 AromaticContact CD2-CD1 3.79Å; F36-F39 HydrophobicContact CD2-CD1 3.79Å; F36-F39 HydrophobicContact CD2-CE1 4.39Å; F36-F39 AromaticContact CE2-CD1 3.95Å; F36-F39 HydrophobicContact CE2-CD1 3.95Å; F36-F39 HydrophobicContact CE2-CE1 4.12Å; F36-F39 WeakPolarHBondContact O-CB 3.26Å; F36-F39 PolarHBondContact O-N 3.48Å; F36-L40 HydrophobicContact CD1-CD1 4.31Å; F36-L40 HydrophobicContact CD2-CG 4.23Å; F36-L40 HydrophobicContact CE1-CD1 4.09Å; F36-L40 HydrophobicContact CE2-CD1 4.29Å; F36-L40 HydrophobicContact CE2-CD2 4.13Å; F36-L40 HydrophobicContact CE2-CG 4.04Å; F36-L40 HydrophobicContact CZ-CD1 4.08Å; F36-L40 HydrophobicContact CZ-CD2 4.32Å; F36-L40 HydrophobicContact CZ-CG 4.3Å; F36-L40 WeakPolarHBondContact O-CB 3.37Å; F36-L40 VanDerWaalsContact O-CG 3.3Å; F36-L40 WeakPolarHBondContact O-CG 3.45Å; F36-L40 PolarHBondContact O-N 3.15Å; F36-L50 HydrophobicContact CD1-CD1 3.92Å; F36-L50 HydrophobicContact CD1-CD2 3.94Å; F36-L50 HydrophobicContact CD1-CG 4.44Å; F36-L50 HydrophobicContact CE1-CD2 3.96Å; F36-L50 HydrophobicContact CG-CD1 4.46Å; F36-L141 HydrophobicContact CE1-CD2 3.97Å; F36-L141 HydrophobicContact CZ-CD2 3.97Å; F36-F149 HydrophobicContact CB-CD2 4.42Å; F36-F149 HydrophobicContact CB-CE2 4.16Å; F36-F149 HydrophobicContact CB-CZ 4.29Å; F36-F149 HydrophobicContact CD2-CB 3.79Å; F36-F149 HydrophobicContact CD2-CD1 4.17Å; F36-F149 AromaticContact CD2-CD2 3.72Å; F36-F149 HydrophobicContact CD2-CD2 3.72Å; F36-F149 HydrophobicContact CD2-CE2 4.31Å; F36-F149 AromaticContact CD2-CG 3.62Å; F36-F149 HydrophobicContact CD2-CG 3.62Å; F36-F149 HydrophobicContact CE2-CB 3.78Å; F36-F149 HydrophobicContact CE2-CG 4.12Å
37	N	92.8	Very high	90	Very high	47 Å²	47	49.9 Å²	49.9	25%	0.251	27%	0.268	S	S	.	.	H	α-helix	trans	-67.1	-42.3	175	-164.5	5.3	0	0	0	112	V33 E34 F39 L40 S41 S47 L50	V33-N37 VanDerWaalsContact O-CB 3.23Å; V33-N37 WeakPolarHBondContact O-CB 3.39Å; V33-N37 PolarHBondContact O-N 2.89Å; E34-N37 PolarHBondContact O-N 3.29Å; N37-F39 VanDerWaalsContact C-N 3.33Å; N37-F39 PolarHBondContact O-N 3.1Å; N37-L40 PolarHBondContact O-N 3.31Å; N37-S41 VanDerWaalsContact O-CB 3.32Å; N37-S41 WeakPolarHBondContact O-CB 3.32Å; N37-S41 PolarHBondContact O-N 3.11Å; N37-S41 PolarHBondContact O-OG 3.21Å; N37-S47 WeakPolarHBondContact OD1-CA 3.15Å; N37-S47 WeakPolarHBondContact OD1-CB 3.39Å; N37-L50 HydrophobicContact CB-CD1 3.73Å
38	K	88.7	Confident	90	Very high	65 Å²	65	51.8 Å²	51.8	28%	0.283	28%	0.277	S	S	.	.	H	α-helix	trans	-61.1	-41.7	174.1	-168.2	165.2	-171	171.8	0	111.3	E34 Y42 F181	E34-K38 VanDerWaalsContact O-CB 3.23Å; E34-K38 WeakPolarHBondContact O-CB 3.35Å; E34-K38 PolarHBondContact O-N 3.13Å; K38-Y42 VanDerWaalsContact O-CB 3.32Å; K38-Y42 WeakPolarHBondContact O-CB 3.33Å; K38-Y42 PolarHBondContact O-N 3.43Å; K38-F181 HydrophobicContact CD-CZ 4.44Å; K38-F181 HydrophobicContact CG-CE1 4.38Å; K38-F181 HydrophobicContact CG-CZ 3.71Å
39	F	91.7	Very high	90.3	Very high	3 Å²	3	46.6 Å²	46.6	1%	0.013	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-50.5	171.6	164.9	-95.2	0	0	0	113.4	F35 F36 N37 S41 Y42 K43 E148 F149 F152	F35-F39 VanDerWaalsContact O-CB 3.27Å; F35-F39 WeakPolarHBondContact O-CB 3.43Å; F35-F39 PolarHBondContact O-N 3.3Å; F36-F39 AromaticContact CD2-CD1 3.79Å; F36-F39 HydrophobicContact CD2-CD1 3.79Å; F36-F39 HydrophobicContact CD2-CE1 4.39Å; F36-F39 AromaticContact CE2-CD1 3.95Å; F36-F39 HydrophobicContact CE2-CD1 3.95Å; F36-F39 HydrophobicContact CE2-CE1 4.12Å; F36-F39 WeakPolarHBondContact O-CB 3.26Å; F36-F39 PolarHBondContact O-N 3.48Å; N37-F39 VanDerWaalsContact C-N 3.33Å; N37-F39 PolarHBondContact O-N 3.1Å; F39-S41 VanDerWaalsContact C-N 3.29Å; F39-S41 PolarHBondContact O-N 3.37Å; F39-Y42 PolarHBondContact O-N 3.5Å; F39-K43 HydrophobicContact CD2-CD 4.14Å; F39-K43 HydrophobicContact CD2-CG 4.27Å; F39-K43 HydrophobicContact CE2-CD 3.45Å; F39-K43 VanDerWaalsContact CE2-CD 3.45Å; F39-K43 VanDerWaalsContact CE2-CE 3.5Å; F39-K43 HydrophobicContact CE2-CG 4.05Å; F39-K43 HydrophobicContact CZ-CD 3.97Å; F39-K43 PolarHBondContact O-N 3.16Å; F39-E148 WeakPolarHBondContact CE2-O 3.44Å; F39-E148 VanDerWaalsContact CZ-C 3.42Å; F39-E148 HydrophobicContact CZ-CB 3.77Å; F39-E148 WeakPolarHBondContact CZ-O 3.43Å; F39-F149 HydrophobicContact CB-CD2 3.93Å; F39-F149 HydrophobicContact CB-CE2 4.36Å; F39-F149 HydrophobicContact CD1-CB 3.99Å; F39-F149 AromaticContact CD1-CD2 3.96Å; F39-F149 HydrophobicContact CD1-CD2 3.96Å; F39-F149 HydrophobicContact CD1-CG 4.43Å; F39-F149 HydrophobicContact CD2-CD2 4.23Å; F39-F149 HydrophobicContact CE1-CB 3.78Å; F39-F149 HydrophobicContact CE2-CB 4.47Å; F39-F149 HydrophobicContact CG-CB 4.47Å; F39-F149 AromaticContact CG-CD2 3.78Å; F39-F149 HydrophobicContact CG-CD2 3.78Å; F39-F149 HydrophobicContact CZ-CB 4.04Å; F39-F152 HydrophobicContact CB-CE1 4.5Å; F39-F152 HydrophobicContact CD2-CB 4.01Å; F39-F152 AromaticContact CD2-CD1 3.35Å; F39-F152 HydrophobicContact CD2-CD1 3.35Å; F39-F152 AromaticContact CD2-CE1 3.83Å; F39-F152 HydrophobicContact CD2-CE1 3.83Å; F39-F152 AromaticContact CD2-CG 3.73Å; F39-F152 HydrophobicContact CD2-CG 3.73Å; F39-F152 HydrophobicContact CE2-CB 3.66Å; F39-F152 AromaticContact CE2-CD1 3.93Å; F39-F152 HydrophobicContact CE2-CD1 3.93Å; F39-F152 AromaticContact CE2-CG 3.82Å; F39-F152 HydrophobicContact CE2-CG 3.82Å; F39-F152 HydrophobicContact CG-CD1 4.3Å
40	L	93	Very high	90.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.239	C	C	.	.	I	π-helix	trans	-62.9	-37.2	179.5	-74.9	175.9	0	0	0	111.8	F36 N37 H44 S45 A46 L50 L141 Y145	F36-L40 HydrophobicContact CD1-CD1 4.31Å; F36-L40 HydrophobicContact CD2-CG 4.23Å; F36-L40 HydrophobicContact CE1-CD1 4.09Å; F36-L40 HydrophobicContact CE2-CD1 4.29Å; F36-L40 HydrophobicContact CE2-CD2 4.13Å; F36-L40 HydrophobicContact CE2-CG 4.04Å; F36-L40 HydrophobicContact CZ-CD1 4.08Å; F36-L40 HydrophobicContact CZ-CD2 4.32Å; F36-L40 HydrophobicContact CZ-CG 4.3Å; F36-L40 WeakPolarHBondContact O-CB 3.37Å; F36-L40 VanDerWaalsContact O-CG 3.3Å; F36-L40 WeakPolarHBondContact O-CG 3.45Å; F36-L40 PolarHBondContact O-N 3.15Å; N37-L40 PolarHBondContact O-N 3.31Å; L40-H44 CarbonylContact O-C 3.1Å; L40-H44 WeakPolarHBondContact O-CA 3.33Å; L40-H44 PolarHBondContact O-N 2.83Å; L40-H44 VanDerWaalsContact O-N 3.12Å; L40-S45 PolarHBondContact O-N 3.26Å; L40-A46 HydrophobicContact CB-CB 4.44Å; L40-A46 HydrophobicContact CD2-CB 4.19Å; L40-A46 PolarHBondContact O-N 2.83Å; L40-L50 HydrophobicContact CD1-CD1 3.65Å; L40-L50 HydrophobicContact CD1-CD2 4.38Å; L40-L50 HydrophobicContact CD1-CG 3.64Å; L40-L141 HydrophobicContact CD1-CD2 3.88Å; L40-Y145 HydrophobicContact CD2-CD1 3.85Å; L40-Y145 HydrophobicContact CD2-CD2 4.19Å; L40-Y145 HydrophobicContact CD2-CG 3.62Å
41	S	90.3	Very high	90.7	Very high	51 Å²	51	43.3 Å²	43.3	36%	0.357	22%	0.224	S	C	.	.	I	π-helix	trans	-61.6	-54	172.4	-61.2	0	0	0	0	110.8	N37 F39 S45 S47	N37-S41 VanDerWaalsContact O-CB 3.32Å; N37-S41 WeakPolarHBondContact O-CB 3.32Å; N37-S41 PolarHBondContact O-N 3.11Å; N37-S41 PolarHBondContact O-OG 3.21Å; F39-S41 VanDerWaalsContact C-N 3.29Å; F39-S41 PolarHBondContact O-N 3.37Å; S41-S45 PolarHBondContact O-N 2.84Å; S41-S47 WeakPolarHBondContact OG-CB 3.44Å
42	Y	84	Confident	91.1	Very high	90 Å²	90	38.6 Å²	38.6	35%	0.353	20%	0.199	S	C	.	.	I	π-helix	trans	-68.9	-46.4	-173.2	178.6	-109.6	0	0	0	114.3	K38 F39 F181	K38-Y42 VanDerWaalsContact O-CB 3.32Å; K38-Y42 WeakPolarHBondContact O-CB 3.33Å; K38-Y42 PolarHBondContact O-N 3.43Å; F39-Y42 PolarHBondContact O-N 3.5Å; Y42-F181 AromaticContact CD2-CD2 3.93Å; Y42-F181 HydrophobicContact CD2-CD2 3.93Å; Y42-F181 AromaticContact CD2-CE2 3.87Å; Y42-F181 HydrophobicContact CD2-CE2 3.87Å; Y42-F181 HydrophobicContact CD2-CG 4.49Å; Y42-F181 HydrophobicContact CD2-CZ 4.38Å; Y42-F181 HydrophobicContact CG-CE2 4.21Å; Y42-F181 HydrophobicContact CG-CZ 4.41Å
43	K	86.6	Confident	91.3	Very high	89 Å²	89	39.4 Å²	39.4	39%	0.387	20%	0.202	S	C	.	.	I	π-helix	trans	-85.7	-37.3	-177.6	-75.1	-157	-171.8	174.6	0	113.8	F39	F39-K43 HydrophobicContact CD2-CD 4.14Å; F39-K43 HydrophobicContact CD2-CG 4.27Å; F39-K43 HydrophobicContact CE2-CD 3.45Å; F39-K43 VanDerWaalsContact CE2-CD 3.45Å; F39-K43 VanDerWaalsContact CE2-CE 3.5Å; F39-K43 HydrophobicContact CE2-CG 4.05Å; F39-K43 HydrophobicContact CZ-CD 3.97Å; F39-K43 PolarHBondContact O-N 3.16Å
44	H	87.4	Confident	91.4	Very high	53 Å²	53	41.6 Å²	41.6	25%	0.245	21%	0.21	C	C	.	.	I	π-helix	trans	-126.7	-6.4	-161.3	-71.6	-73.8	0	0	0	115.3	L40 A46 Y145 E148	L40-H44 CarbonylContact O-C 3.1Å; L40-H44 WeakPolarHBondContact O-CA 3.33Å; L40-H44 PolarHBondContact O-N 2.83Å; L40-H44 VanDerWaalsContact O-N 3.12Å; H44-A46 HydrophobicContact CB-CB 3.71Å; H44-A46 PolarHBondContact O-N 2.6Å; H44-A46 VanDerWaalsContact O-N 3.15Å; H44-Y145 HydrophobicContact CB-CD1 4.34Å; H44-Y145 HydrophobicContact CB-CE1 3.85Å; H44-Y145 AromaticContact CD2-CD1 3.62Å; H44-Y145 AromaticContact CD2-CE1 3.81Å; H44-Y145 AromaticContact CE1-CE1 3.89Å; H44-Y145 AromaticContact CG-CD1 3.78Å; H44-Y145 AromaticContact CG-CE1 3.46Å; H44-Y145 VanDerWaalsContact CG-CE1 3.46Å; H44-Y145 AromaticContact ND1-CE1 3.52Å; H44-Y145 AromaticContact NE2-CD1 3.84Å; H44-E148 IonicContact CD2-OE2 2.97Å; H44-E148 IonicContact CE1-OE1 2.74Å; H44-E148 PolarHBondContact CE1-OE1 2.9Å; H44-E148 VanDerWaalsContact CE1-OE1 3.22Å; H44-E148 IonicContact CE1-OE2 3.48Å; H44-E148 PolarHBondContact CE1-OE2 3.48Å; H44-E148 VanDerWaalsContact CE1-OE2 3.28Å; H44-E148 VanDerWaalsContact NE2-CD 3.26Å; H44-E148 IonicContact NE2-OE1 3.6Å; H44-E148 PolarHBondContact NE2-OE1 2.94Å; H44-E148 IonicContact NE2-OE2 3.54Å; H44-E148 PolarHBondContact NE2-OE2 2.88Å
45	S	88.5	Confident	91.6	Very high	96 Å²	96	37.3 Å²	37.3	67%	0.671	20%	0.195	S	C	*	.	S	Bend	trans	51.6	29	-169.1	-57.6	0	0	0	0	113.5	L40 S41 H48	L40-S45 PolarHBondContact O-N 3.26Å; S41-S45 PolarHBondContact O-N 2.84Å; S45-H48 PolarHBondContact O-ND1 3.46Å
46	A	90.9	Very high	91.8	Very high	3 Å²	3	35.6 Å²	35.6	3%	0.025	19%	0.187	C	C	.	.			trans	-109.7	13.9	-165.1	0	0	0	0	0	114.1	L40 H44 H48 L49 Y145	L40-A46 HydrophobicContact CB-CB 4.44Å; L40-A46 HydrophobicContact CD2-CB 4.19Å; L40-A46 PolarHBondContact O-N 2.83Å; H44-A46 HydrophobicContact CB-CB 3.71Å; H44-A46 PolarHBondContact O-N 2.6Å; H44-A46 VanDerWaalsContact O-N 3.15Å; A46-H48 PolarHBondContact O-N 2.93Å; A46-L49 HydrophobicContact CB-CD1 4.05Å; A46-L49 HydrophobicContact CB-CG 4.4Å; A46-L49 WeakPolarHBondContact O-CB 3.27Å; A46-L49 WeakPolarHBondContact O-CG 3.35Å; A46-L49 PolarHBondContact O-N 3.43Å; A46-Y145 HydrophobicContact CB-CE1 4.44Å
47	S	92.2	Very high	91.7	Very high	30 Å²	30	38.9 Å²	38.9	21%	0.21	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-39.3	174.6	39.6	0	0	0	0	113.4	N37 S41 L49 L50 D51	N37-S47 WeakPolarHBondContact OD1-CA 3.15Å; N37-S47 WeakPolarHBondContact OD1-CB 3.39Å; S41-S47 WeakPolarHBondContact OG-CB 3.44Å; S47-L49 PolarHBondContact O-N 2.86Å; S47-L50 WeakPolarHBondContact O-CA 3.45Å; S47-L50 WeakPolarHBondContact O-CB 3.43Å; S47-L50 PolarHBondContact O-N 3.33Å; S47-D51 PolarHBondContact O-N 2.92Å; S47-D51 VanDerWaalsContact O-N 3.16Å
48	H	93.3	Very high	91.6	Very high	42 Å²	42	37.6 Å²	37.6	19%	0.194	20%	0.199	C	C	.	.	H	α-helix	trans	-55.9	-18.3	177.2	68.6	-91.1	0	0	0	115.5	S45 A46 D51 F52 H89	S45-H48 PolarHBondContact O-ND1 3.46Å; A46-H48 PolarHBondContact O-N 2.93Å; H48-D51 WeakPolarHBondContact CA-OD2 3.42Å; H48-F52 WeakPolarHBondContact O-CB 3.39Å; H48-F52 PolarHBondContact O-N 2.83Å; H48-F52 VanDerWaalsContact O-N 3.08Å; H48-H89 HydrophobicContact CB-CB 3.9Å
49	L	94.3	Very high	91.7	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-69.6	-39	171.3	-60.2	-178.7	0	0	0	111.7	A46 S47 W53 V91 P92 V137 L140 L141 Y145	A46-L49 HydrophobicContact CB-CD1 4.05Å; A46-L49 HydrophobicContact CB-CG 4.4Å; A46-L49 WeakPolarHBondContact O-CB 3.27Å; A46-L49 WeakPolarHBondContact O-CG 3.35Å; A46-L49 PolarHBondContact O-N 3.43Å; S47-L49 PolarHBondContact O-N 2.86Å; L49-W53 WeakPolarHBondContact O-CB 3.27Å; L49-W53 PolarHBondContact O-N 2.9Å; L49-W53 VanDerWaalsContact O-N 3.08Å; L49-V91 HydrophobicContact CD2-CB 4.48Å; L49-V91 HydrophobicContact CD2-CG1 4.05Å; L49-P92 HydrophobicContact CD2-CG 4.45Å; L49-V137 HydrophobicContact CB-CG1 3.98Å; L49-V137 HydrophobicContact CD2-CG1 4.27Å; L49-L140 HydrophobicContact CD1-CD2 4.08Å; L49-L140 HydrophobicContact CD2-CD2 4.48Å; L49-L141 HydrophobicContact CB-CD2 4.03Å; L49-L141 HydrophobicContact CB-CG 4.47Å; L49-L141 HydrophobicContact CD1-CD2 4.23Å; L49-Y145 HydrophobicContact CD1-CD2 3.96Å; L49-Y145 HydrophobicContact CD1-CE2 3.37Å
50	L	94.7	Very high	91.5	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-70.9	-45.2	172.1	-65.9	179.3	0	0	0	110.7	L27 F36 N37 L40 S47 F52 W53 F54 L141	L27-L50 HydrophobicContact CD2-CD2 3.52Å; F36-L50 HydrophobicContact CD1-CD1 3.92Å; F36-L50 HydrophobicContact CD1-CD2 3.94Å; F36-L50 HydrophobicContact CD1-CG 4.44Å; F36-L50 HydrophobicContact CE1-CD2 3.96Å; F36-L50 HydrophobicContact CG-CD1 4.46Å; N37-L50 HydrophobicContact CB-CD1 3.73Å; L40-L50 HydrophobicContact CD1-CD1 3.65Å; L40-L50 HydrophobicContact CD1-CD2 4.38Å; L40-L50 HydrophobicContact CD1-CG 3.64Å; S47-L50 WeakPolarHBondContact O-CA 3.45Å; S47-L50 WeakPolarHBondContact O-CB 3.43Å; S47-L50 PolarHBondContact O-N 3.33Å; L50-F52 PolarHBondContact O-N 3.38Å; L50-W53 CarbonylContact O-C 3.46Å; L50-W53 WeakPolarHBondContact O-CA 3.24Å; L50-W53 WeakPolarHBondContact O-CB 3.34Å; L50-W53 PolarHBondContact O-N 3.33Å; L50-F54 HydrophobicContact CB-CD2 4.32Å; L50-F54 HydrophobicContact CB-CE2 4.4Å; L50-F54 VanDerWaalsContact O-CD2 3.28Å; L50-F54 WeakPolarHBondContact O-CD2 3.49Å; L50-F54 PolarHBondContact O-N 3.48Å; L50-L141 HydrophobicContact CD2-CD1 3.89Å; L50-L141 HydrophobicContact CD2-CD2 4.32Å
51	D	94.2	Very high	90.8	Very high	57 Å²	57	41.9 Å²	41.9	31%	0.305	23%	0.226	S	C	.	.	H	α-helix	trans	-56.3	-41	179.1	-55.9	-32.8	0	0	0	111.4	S47 H48 A55 Y82	S47-D51 PolarHBondContact O-N 2.92Å; S47-D51 VanDerWaalsContact O-N 3.16Å; H48-D51 WeakPolarHBondContact CA-OD2 3.42Å; D51-A55 WeakPolarHBondContact O-CB 3.44Å; D51-A55 PolarHBondContact O-N 3.48Å; D51-Y82 HydrophobicContact CB-CE1 4.15Å; D51-Y82 WeakPolarHBondContact CB-OH 3.42Å
52	F	95.7	Very high	89.9	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.7	-44.1	171.7	175.9	-108.2	0	0	0	113	H48 L50 A55 C56 I78 Y82 I83 V91 L93 A133 V137	H48-F52 WeakPolarHBondContact O-CB 3.39Å; H48-F52 PolarHBondContact O-N 2.83Å; H48-F52 VanDerWaalsContact O-N 3.08Å; L50-F52 PolarHBondContact O-N 3.38Å; F52-A55 PolarHBondContact O-N 3.29Å; F52-C56 VanDerWaalsContact CE2-SG 3.58Å; F52-C56 VanDerWaalsContact CZ-SG 3.57Å; F52-C56 PolarHBondContact O-N 2.87Å; F52-C56 PolarHBondContact O-SG 3.38Å; F52-I78 HydrophobicContact CD2-CG2 4.37Å; F52-I78 HydrophobicContact CE2-CG2 4.03Å; F52-Y82 HydrophobicContact CB-CD1 3.83Å; F52-Y82 HydrophobicContact CB-CD2 4.41Å; F52-Y82 HydrophobicContact CB-CE1 4.14Å; F52-Y82 HydrophobicContact CB-CG 3.98Å; F52-Y82 VanDerWaalsContact CD2-CB 3.44Å; F52-Y82 HydrophobicContact CD2-CD1 4.32Å; F52-Y82 AromaticContact CD2-CD2 3.78Å; F52-Y82 HydrophobicContact CD2-CD2 3.78Å; F52-Y82 AromaticContact CD2-CG 3.6Å; F52-Y82 HydrophobicContact CD2-CG 3.6Å; F52-Y82 HydrophobicContact CG-CG 4.21Å; F52-I83 HydrophobicContact CE2-CD1 4.25Å; F52-I83 HydrophobicContact CE2-CG1 4.17Å; F52-V91 HydrophobicContact CB-CG1 3.79Å; F52-V91 HydrophobicContact CD1-CG1 4.02Å; F52-V91 HydrophobicContact CD1-CG2 4.19Å; F52-V91 HydrophobicContact CD2-CG1 4.47Å; F52-V91 HydrophobicContact CD2-CG2 4.36Å; F52-V91 HydrophobicContact CE1-CG2 4.16Å; F52-V91 HydrophobicContact CE2-CG2 4.34Å; F52-V91 HydrophobicContact CG-CG1 3.83Å; F52-V91 HydrophobicContact CG-CG2 4.27Å; F52-V91 HydrophobicContact CZ-CG2 4.24Å; F52-L93 HydrophobicContact CZ-CD1 4.47Å; F52-A133 HydrophobicContact CE1-CB 4.28Å; F52-A133 HydrophobicContact CZ-CB 3.84Å; F52-V137 HydrophobicContact CD1-CB 4.14Å; F52-V137 HydrophobicContact CD1-CG1 4.28Å; F52-V137 HydrophobicContact CD1-CG2 3.75Å; F52-V137 HydrophobicContact CE1-CB 4.31Å; F52-V137 HydrophobicContact CE1-CG2 3.78Å
53	W	94.7	Very high	88.6	Confident	17 Å²	17	41.6 Å²	41.6	6%	0.064	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-45	179	-169.5	95.7	0	0	0	111.7	L27 L49 L50 C56 K57 Q134	L27-W53 HydrophobicContact CB-CH2 3.76Å; L27-W53 HydrophobicContact CB-CZ2 4.34Å; L27-W53 HydrophobicContact CB-CZ3 3.98Å; L27-W53 HydrophobicContact CD1-CD2 4.08Å; L27-W53 HydrophobicContact CD1-CE3 4.29Å; L27-W53 HydrophobicContact CD1-CH2 3.94Å; L27-W53 HydrophobicContact CD1-CZ2 3.73Å; L27-W53 HydrophobicContact CD1-CZ3 4.22Å; L27-W53 HydrophobicContact CG-CH2 4.46Å; L49-W53 WeakPolarHBondContact O-CB 3.27Å; L49-W53 PolarHBondContact O-N 2.9Å; L49-W53 VanDerWaalsContact O-N 3.08Å; L50-W53 CarbonylContact O-C 3.46Å; L50-W53 WeakPolarHBondContact O-CA 3.24Å; L50-W53 WeakPolarHBondContact O-CB 3.34Å; L50-W53 PolarHBondContact O-N 3.33Å; W53-C56 PolarHBondContact O-N 2.87Å; W53-K57 HydrophobicContact CE3-CD 4.43Å; W53-K57 HydrophobicContact CH2-CD 3.92Å; W53-K57 HydrophobicContact CZ3-CD 3.64Å; W53-K57 PolarHBondContact O-N 3.45Å; W53-Q134 HydrophobicContact CG-CG 3.94Å; W53-Q134 PolarHBondContact O-NE2 3.24Å
54	F	94.2	Very high	87.3	Confident	71 Å²	71	44 Å²	44	31%	0.311	25%	0.252	S	S	.	.	H	α-helix	trans	-69.2	-37.1	175.2	-76	-73.5	0	0	0	112.5	L27 V33 L50 C56 K57 G58	L27-F54 HydrophobicContact CD2-CE2 4.44Å; L27-F54 HydrophobicContact CD2-CZ 4.46Å; V33-F54 HydrophobicContact CB-CZ 4.41Å; V33-F54 HydrophobicContact CG1-CE2 3.69Å; V33-F54 HydrophobicContact CG1-CZ 3.85Å; V33-F54 HydrophobicContact CG2-CE2 4.12Å; V33-F54 HydrophobicContact CG2-CZ 3.6Å; L50-F54 HydrophobicContact CB-CD2 4.32Å; L50-F54 HydrophobicContact CB-CE2 4.4Å; L50-F54 VanDerWaalsContact O-CD2 3.28Å; L50-F54 WeakPolarHBondContact O-CD2 3.49Å; L50-F54 PolarHBondContact O-N 3.48Å; F54-C56 VanDerWaalsContact C-N 3.26Å; F54-C56 PolarHBondContact O-N 2.96Å; F54-K57 HydrophobicContact CD1-CD 4.41Å; F54-K57 HydrophobicContact CE1-CD 4.48Å; F54-K57 PolarHBondContact O-N 2.93Å; F54-G58 PolarHBondContact O-N 2.97Å
55	A	93.8	Very high	86.2	Confident	29 Å²	29	42.7 Å²	42.7	24%	0.24	25%	0.246	C	C	.	.	H	α-helix	trans	-59.7	-36.2	172.9	0	0	0	0	0	112.5	D51 F52 F59 I78 Y82	D51-A55 WeakPolarHBondContact O-CB 3.44Å; D51-A55 PolarHBondContact O-N 3.48Å; F52-A55 PolarHBondContact O-N 3.29Å; A55-F59 WeakPolarHBondContact O-CB 3.24Å; A55-F59 PolarHBondContact O-N 2.72Å; A55-I78 HydrophobicContact CB-CD1 4.44Å; A55-I78 HydrophobicContact CB-CG1 4.35Å; A55-Y82 HydrophobicContact CB-CE2 4.18Å
56	C	93.5	Very high	85.2	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.007	25%	0.246	C	C	.	.	H	α-helix	trans	-72.9	-38.9	174.5	-63.8	0	0	0	0	112.5	F52 W53 F54 F59 R60 F130 Q134	F52-C56 VanDerWaalsContact CE2-SG 3.58Å; F52-C56 VanDerWaalsContact CZ-SG 3.57Å; F52-C56 PolarHBondContact O-N 2.87Å; F52-C56 PolarHBondContact O-SG 3.38Å; W53-C56 PolarHBondContact O-N 2.87Å; F54-C56 VanDerWaalsContact C-N 3.26Å; F54-C56 PolarHBondContact O-N 2.96Å; C56-F59 PolarHBondContact O-N 2.85Å; C56-R60 PolarHBondContact O-N 2.9Å; C56-F130 HydrophobicContact CB-CB 4.31Å; C56-F130 VanDerWaalsContact SG-CB 3.57Å; C56-Q134 HydrophobicContact CB-CB 3.99Å; C56-Q134 HydrophobicContact CB-CG 3.97Å
57	K	90.8	Very high	84.6	Confident	69 Å²	69	46 Å²	46	30%	0.3	26%	0.264	S	S	.	.	H	α-helix	trans	-59.4	-48.4	173.4	-163	173.3	-174.9	177.6	0	110.2	N28 W53 F54 R60 S61	N28-K57 PolarHBondContact OD1-NZ 3.29Å; W53-K57 HydrophobicContact CE3-CD 4.43Å; W53-K57 HydrophobicContact CH2-CD 3.92Å; W53-K57 HydrophobicContact CZ3-CD 3.64Å; W53-K57 PolarHBondContact O-N 3.45Å; F54-K57 HydrophobicContact CD1-CD 4.41Å; F54-K57 HydrophobicContact CE1-CD 4.48Å; F54-K57 PolarHBondContact O-N 2.93Å; K57-R60 PolarHBondContact O-N 2.63Å; K57-S61 PolarHBondContact O-N 2.81Å; K57-S61 VanDerWaalsContact O-N 3.08Å; K57-S61 PolarHBondContact O-OG 3.39Å; K57-S61 VanDerWaalsContact O-OG 3.12Å
58	G	90.8	Very high	84.1	Confident	19 Å²	19	47 Å²	47	20%	0.196	27%	0.269	C	S	.	.	H	α-helix	trans	-60.9	-43.3	175.3	0	0	0	0	0	114	F54 R60 S61 N62	F54-G58 PolarHBondContact O-N 2.97Å; G58-R60 PolarHBondContact O-N 2.86Å; G58-S61 WeakPolarHBondContact CA-OG 3.45Å; G58-S61 PolarHBondContact O-N 3.46Å; G58-S61 PolarHBondContact O-OG 2.96Å; G58-N62 WeakPolarHBondContact O-CB 3.44Å; G58-N62 PolarHBondContact O-N 3.11Å; G58-N62 PolarHBondContact O-ND2 3.16Å; G58-N62 PolarHBondContact O-OD1 3.43Å; G58-N62 VanDerWaalsContact O-OD1 3.05Å
59	F	91	Very high	83.5	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-58.3	-32	177.8	-176.3	-103.8	0	0	0	113.3	A55 C56 L71 V74 A75 I78 R127 L129 F130	A55-F59 WeakPolarHBondContact O-CB 3.24Å; A55-F59 PolarHBondContact O-N 2.72Å; C56-F59 PolarHBondContact O-N 2.85Å; F59-L71 HydrophobicContact CD2-CD1 4.2Å; F59-L71 HydrophobicContact CE1-CD1 4.44Å; F59-L71 HydrophobicContact CE2-CD1 3.49Å; F59-L71 VanDerWaalsContact CE2-CD1 3.49Å; F59-L71 HydrophobicContact CE2-CG 3.99Å; F59-L71 WeakPolarHBondContact CE2-O 3.49Å; F59-L71 HydrophobicContact CZ-CD1 3.63Å; F59-L71 HydrophobicContact CZ-CG 3.93Å; F59-V74 HydrophobicContact CD2-CB 4.45Å; F59-V74 HydrophobicContact CD2-CG1 3.98Å; F59-A75 HydrophobicContact CE2-CB 3.7Å; F59-A75 HydrophobicContact CZ-CB 3.81Å; F59-I78 HydrophobicContact CB-CD1 3.87Å; F59-I78 HydrophobicContact CD2-CD1 4.03Å; F59-I78 HydrophobicContact CG-CD1 4.09Å; F59-R127 WeakPolarHBondContact CD1-O 3.32Å; F59-R127 WeakPolarHBondContact CE1-O 3.43Å; F59-L129 HydrophobicContact CE1-CB 4.4Å; F59-F130 AromaticContact CD1-CD2 3.53Å; F59-F130 HydrophobicContact CD1-CD2 3.53Å; F59-F130 AromaticContact CD1-CE2 3.78Å; F59-F130 HydrophobicContact CD1-CE2 3.78Å; F59-F130 HydrophobicContact CD2-CE2 4.21Å; F59-F130 AromaticContact CE1-CD2 3.82Å; F59-F130 HydrophobicContact CE1-CD2 3.82Å; F59-F130 AromaticContact CE1-CE2 3.76Å; F59-F130 HydrophobicContact CE1-CE2 3.76Å; F59-F130 HydrophobicContact CE2-CE2 4.21Å; F59-F130 AromaticContact CG-CD2 3.99Å; F59-F130 HydrophobicContact CG-CD2 3.99Å; F59-F130 HydrophobicContact CG-CE2 4Å; F59-F130 AromaticContact CZ-CE2 3.99Å; F59-F130 HydrophobicContact CZ-CE2 3.99Å
60	R	86.9	Confident	83.1	Confident	75 Å²	75	52.6 Å²	52.6	28%	0.283	30%	0.295	S	S	.	.	H	α-helix	trans	-79.1	-44.6	172.3	-70.3	-168.5	-60.7	-92.6	3.5	113.5	C56 K57 G58 R127 D131 Q134	C56-R60 PolarHBondContact O-N 2.9Å; K57-R60 PolarHBondContact O-N 2.63Å; G58-R60 PolarHBondContact O-N 2.86Å; R60-R127 VanDerWaalsContact CG-O 3.31Å; R60-R127 WeakPolarHBondContact CG-O 3.47Å; R60-D131 WeakPolarHBondContact CD-OD1 3.35Å; R60-D131 IonicContact CZ-OD1 3.64Å; R60-D131 IonicContact NE-OD1 3.92Å; R60-D131 IonicContact NH1-OD1 2.69Å; R60-D131 PolarHBondContact NH1-OD1 3.48Å; R60-D131 IonicContact NH1-OD2 3.98Å; R60-Q134 VanDerWaalsContact CZ-OE1 3.23Å
61	S	78.8	Confident	82.7	Confident	80 Å²	80	53.1 Å²	53.1	56%	0.559	30%	0.298	S	S	*	.	H	α-helix	trans	-79	-24.3	-168.2	58	0	0	0	0	114.9	K57 G58 A63	K57-S61 PolarHBondContact O-N 2.81Å; K57-S61 VanDerWaalsContact O-N 3.08Å; K57-S61 PolarHBondContact O-OG 3.39Å; K57-S61 VanDerWaalsContact O-OG 3.12Å; G58-S61 WeakPolarHBondContact CA-OG 3.45Å; G58-S61 PolarHBondContact O-N 3.46Å; G58-S61 PolarHBondContact O-OG 2.96Å; S61-A63 PolarHBondContact O-N 2.95Å
62	N	71.8	Confident	82.5	Confident	74 Å²	74	51.2 Å²	51.2	40%	0.396	29%	0.287	S	S	.	.			trans	-73.4	90.8	-172.6	-63.8	-0.6	0	0	0	111.6	G58 D64 L65	G58-N62 WeakPolarHBondContact O-CB 3.44Å; G58-N62 PolarHBondContact O-N 3.11Å; G58-N62 PolarHBondContact O-ND2 3.16Å; G58-N62 PolarHBondContact O-OD1 3.43Å; G58-N62 VanDerWaalsContact O-OD1 3.05Å; N62-D64 PolarHBondContact O-N 3.28Å; N62-D64 VanDerWaalsContact O-N 3.16Å; N62-L65 HydrophobicContact CB-CD1 3.99Å; N62-L65 HydrophobicContact CB-CD2 4.43Å; N62-L65 PolarHBondContact O-N 2.98Å; N62-L65 VanDerWaalsContact O-N 3.11Å
63	A	55.8	Low	82.2	Confident	60 Å²	60	57 Å²	57	50%	0.496	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-55.6	-32.5	-177.9	0	0	0	0	0	113.6	S61 L65 S66	S61-A63 PolarHBondContact O-N 2.95Å; A63-L65 PolarHBondContact O-N 3.33Å; A63-S66 PolarHBondContact O-N 2.85Å; A63-S66 PolarHBondContact O-OG 3.41Å
64	D	59.5	Low	82.1	Confident	141 Å²	141	58.9 Å²	58.9	75%	0.754	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-68	-13	-179.2	-51.2	-53.1	0	0	0	114.2	N62 S66	N62-D64 PolarHBondContact O-N 3.28Å; N62-D64 VanDerWaalsContact O-N 3.16Å; D64-S66 PolarHBondContact O-N 2.91Å
65	L	65.5	Low	82	Confident	24 Å²	24	55.5 Å²	55.5	13%	0.126	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-79.6	29.6	170.4	-82.1	57.6	0	0	0	111.8	N62 A63 N67 K70 L71 V74	N62-L65 HydrophobicContact CB-CD1 3.99Å; N62-L65 HydrophobicContact CB-CD2 4.43Å; N62-L65 PolarHBondContact O-N 2.98Å; N62-L65 VanDerWaalsContact O-N 3.11Å; A63-L65 PolarHBondContact O-N 3.33Å; L65-N67 PolarHBondContact O-N 2.9Å; L65-K70 HydrophobicContact CG-CB 4.42Å; L65-L71 HydrophobicContact CB-CB 4.48Å; L65-L71 HydrophobicContact CB-CD1 3.98Å; L65-L71 HydrophobicContact CD2-CD1 4.19Å; L65-V74 HydrophobicContact CD2-CB 4.17Å; L65-V74 HydrophobicContact CD2-CG1 4.47Å; L65-V74 HydrophobicContact CD2-CG2 3.99Å
66	S	67.7	Low	82	Confident	95 Å²	95	57 Å²	57	66%	0.664	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-67.8	-13.4	168	-65.7	0	0	0	0	113	A63 D64	A63-S66 PolarHBondContact O-N 2.85Å; A63-S66 PolarHBondContact O-OG 3.41Å; D64-S66 PolarHBondContact O-N 2.91Å
67	N	76.6	Confident	82	Confident	74 Å²	74	61 Å²	61	40%	0.396	34%	0.338	S	S	.	.	S	Bend	trans	-81	120.1	164.7	179.8	-55.5	0	0	0	109.9	L65 D69 K70 L71	L65-N67 PolarHBondContact O-N 2.9Å; N67-D69 VanDerWaalsContact C-N 3.28Å; N67-D69 PolarHBondContact O-N 3.13Å; N67-D69 WeakPolarHBondContact OD1-CB 3.34Å; N67-D69 PolarHBondContact OD1-N 3.12Å; N67-K70 HydrophobicContact CB-CB 4.32Å; N67-K70 HydrophobicContact CB-CD 4.31Å; N67-K70 HydrophobicContact CB-CG 4.18Å; N67-K70 PolarHBondContact O-N 2.86Å; N67-K70 PolarHBondContact OD1-N 3.32Å; N67-L71 PolarHBondContact O-N 3.47Å; N67-L71 VanDerWaalsContact O-N 3.1Å
68	P	81.6	Confident	82.2	Confident	50 Å²	50	58.1 Å²	58.1	33%	0.325	33%	0.325	S	S	.	.	H	α-helix	trans	-66.9	-26.6	-173.5	28.6	-36.6	0	0	0	113.5	L71 F72 P124	P68-L71 PolarHBondContact O-N 2.94Å; P68-F72 WeakPolarHBondContact O-CB 3.33Å; P68-F72 PolarHBondContact O-N 2.89Å; P68-P124 HydrophobicContact CB-CB 3.74Å; P68-P124 HydrophobicContact CB-CG 4.41Å
69	D	82.6	Confident	82.4	Confident	46 Å²	46	59.1 Å²	59.1	25%	0.246	32%	0.324	C	S	.	.	H	α-helix	trans	-74.3	-36	178.1	-60.9	-13	0	0	0	111.1	N67 Q73 Y108 Y112	N67-D69 VanDerWaalsContact C-N 3.28Å; N67-D69 PolarHBondContact O-N 3.13Å; N67-D69 WeakPolarHBondContact OD1-CB 3.34Å; N67-D69 PolarHBondContact OD1-N 3.12Å; D69-Q73 WeakPolarHBondContact O-CB 3.4Å; D69-Q73 WeakPolarHBondContact O-CG 3.41Å; D69-Q73 PolarHBondContact O-N 3.03Å; D69-Q73 PolarHBondContact O-NE2 3.3Å; D69-Y108 PolarHBondContact OD1-OH 2.99Å; D69-Y112 WeakPolarHBondContact OD1-CE2 3.46Å; D69-Y112 PolarHBondContact OD2-OH 2.71Å
70	K	84.7	Confident	82.5	Confident	118 Å²	118	66.3 Å²	66.3	51%	0.513	35%	0.351	S	S	.	.	H	α-helix	trans	-65.4	-44.3	171	-69.9	-170.9	177.9	-177.1	0	110.6	L65 N67 Q73 V74	L65-K70 HydrophobicContact CG-CB 4.42Å; N67-K70 HydrophobicContact CB-CB 4.32Å; N67-K70 HydrophobicContact CB-CD 4.31Å; N67-K70 HydrophobicContact CB-CG 4.18Å; N67-K70 PolarHBondContact O-N 2.86Å; N67-K70 PolarHBondContact OD1-N 3.32Å; K70-Q73 PolarHBondContact O-N 2.96Å; K70-V74 PolarHBondContact O-N 3.44Å
71	L	87.2	Confident	82.9	Confident	11 Å²	11	64.8 Å²	64.8	6%	0.058	35%	0.35	C	S	.	.	H	α-helix	trans	-58.9	-49.3	176.2	-168.7	69.2	0	0	0	111.2	F59 L65 N67 P68 Q73 V74 A75 P124 P125	F59-L71 HydrophobicContact CD2-CD1 4.2Å; F59-L71 HydrophobicContact CE1-CD1 4.44Å; F59-L71 HydrophobicContact CE2-CD1 3.49Å; F59-L71 VanDerWaalsContact CE2-CD1 3.49Å; F59-L71 HydrophobicContact CE2-CG 3.99Å; F59-L71 WeakPolarHBondContact CE2-O 3.49Å; F59-L71 HydrophobicContact CZ-CD1 3.63Å; F59-L71 HydrophobicContact CZ-CG 3.93Å; L65-L71 HydrophobicContact CB-CB 4.48Å; L65-L71 HydrophobicContact CB-CD1 3.98Å; L65-L71 HydrophobicContact CD2-CD1 4.19Å; N67-L71 PolarHBondContact O-N 3.47Å; N67-L71 VanDerWaalsContact O-N 3.1Å; P68-L71 PolarHBondContact O-N 2.94Å; L71-Q73 PolarHBondContact O-N 3.26Å; L71-V74 PolarHBondContact O-N 3.29Å; L71-A75 WeakPolarHBondContact O-CB 3.33Å; L71-A75 PolarHBondContact O-N 3.15Å; L71-P124 HydrophobicContact CD2-CB 4.47Å; L71-P125 VanDerWaalsContact CD2-O 3.26Å; L71-P125 WeakPolarHBondContact CD2-O 3.41Å
72	F	89.7	Confident	83.7	Confident	18 Å²	18	62.4 Å²	62.4	8%	0.079	33%	0.329	C	S	.	.	H	α-helix	trans	-63.5	-37.7	176	175.2	-117.2	0	0	0	113.2	P68 K76 L105 Y108 H109 P125	P68-F72 WeakPolarHBondContact O-CB 3.33Å; P68-F72 PolarHBondContact O-N 2.89Å; F72-K76 HydrophobicContact CE1-CD 4.13Å; F72-K76 HydrophobicContact CZ-CD 4.02Å; F72-K76 WeakPolarHBondContact O-CB 3.44Å; F72-K76 PolarHBondContact O-N 3.34Å; F72-L105 HydrophobicContact CD2-CD2 3.89Å; F72-L105 HydrophobicContact CE2-CB 4.35Å; F72-L105 HydrophobicContact CE2-CD2 3.85Å; F72-Y108 HydrophobicContact CB-CD1 3.85Å; F72-Y108 HydrophobicContact CB-CE1 3.61Å; F72-Y108 AromaticContact CD1-CD1 3.76Å; F72-Y108 HydrophobicContact CD1-CD1 3.76Å; F72-Y108 AromaticContact CD1-CE1 3.82Å; F72-Y108 HydrophobicContact CD1-CE1 3.82Å; F72-Y108 AromaticContact CD2-CD1 3.47Å; F72-Y108 HydrophobicContact CD2-CD1 3.47Å; F72-Y108 VanDerWaalsContact CD2-CD1 3.47Å; F72-Y108 HydrophobicContact CD2-CE1 4.14Å; F72-Y108 HydrophobicContact CD2-CG 4.27Å; F72-Y108 HydrophobicContact CE1-CD1 4.16Å; F72-Y108 AromaticContact CE2-CD1 3.9Å; F72-Y108 HydrophobicContact CE2-CD1 3.9Å; F72-Y108 AromaticContact CG-CD1 3.4Å; F72-Y108 HydrophobicContact CG-CD1 3.4Å; F72-Y108 AromaticContact CG-CE1 3.59Å; F72-Y108 HydrophobicContact CG-CE1 3.59Å; F72-Y108 HydrophobicContact CZ-CD1 4.23Å; F72-H109 HydrophobicContact CZ-CB 3.91Å; F72-P125 HydrophobicContact CB-CG 4.1Å; F72-P125 HydrophobicContact CD2-CG 3.85Å; F72-P125 HydrophobicContact CG-CG 4.45Å
73	Q	89.7	Confident	84.8	Confident	120 Å²	120	58.9 Å²	58.9	56%	0.561	31%	0.31	S	S	*	.	H	α-helix	trans	-61.3	-47.4	174.9	-79.3	169.3	70	0	0	111.9	D69 K70 L71 K76 V77	D69-Q73 WeakPolarHBondContact O-CB 3.4Å; D69-Q73 WeakPolarHBondContact O-CG 3.41Å; D69-Q73 PolarHBondContact O-N 3.03Å; D69-Q73 PolarHBondContact O-NE2 3.3Å; K70-Q73 PolarHBondContact O-N 2.96Å; L71-Q73 PolarHBondContact O-N 3.26Å; Q73-K76 WeakPolarHBondContact O-CB 3.34Å; Q73-K76 PolarHBondContact O-N 2.96Å; Q73-V77 WeakPolarHBondContact O-CG2 3.32Å; Q73-V77 PolarHBondContact O-N 2.9Å
74	V	91.8	Very high	86.6	Confident	57 Å²	57	61.3 Å²	61.3	35%	0.345	31%	0.309	S	S	.	.	H	α-helix	trans	-66.7	-42.8	178.2	176.2	0	0	0	0	111.3	F59 L65 K70 L71 K76 V77 I78	F59-V74 HydrophobicContact CD2-CB 4.45Å; F59-V74 HydrophobicContact CD2-CG1 3.98Å; L65-V74 HydrophobicContact CD2-CB 4.17Å; L65-V74 HydrophobicContact CD2-CG1 4.47Å; L65-V74 HydrophobicContact CD2-CG2 3.99Å; K70-V74 PolarHBondContact O-N 3.44Å; L71-V74 PolarHBondContact O-N 3.29Å; V74-K76 VanDerWaalsContact C-N 3.26Å; V74-K76 PolarHBondContact O-N 3.23Å; V74-V77 WeakPolarHBondContact O-CB 3.29Å; V74-V77 PolarHBondContact O-N 3.01Å; V74-I78 HydrophobicContact CG1-CD1 4.03Å; V74-I78 HydrophobicContact CG1-CG1 4.46Å; V74-I78 WeakPolarHBondContact O-CG1 3.25Å; V74-I78 PolarHBondContact O-N 3.39Å
75	A	93.1	Very high	87.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.3	-39.1	174.6	0	0	0	0	0	112.2	F59 L71 I78 Y79 L105 L129 F130	F59-A75 HydrophobicContact CE2-CB 3.7Å; F59-A75 HydrophobicContact CZ-CB 3.81Å; L71-A75 WeakPolarHBondContact O-CB 3.33Å; L71-A75 PolarHBondContact O-N 3.15Å; A75-I78 PolarHBondContact O-N 3.08Å; A75-Y79 WeakPolarHBondContact O-CB 3.42Å; A75-Y79 PolarHBondContact O-N 2.84Å; A75-L105 HydrophobicContact CB-CD2 3.78Å; A75-L129 HydrophobicContact CB-CD2 4.24Å; A75-F130 HydrophobicContact CB-CE2 3.98Å; A75-F130 HydrophobicContact CB-CZ 3.89Å
76	K	92.4	Very high	88.8	Confident	62 Å²	62	62.4 Å²	62.4	27%	0.27	34%	0.343	S	S	.	.	H	α-helix	trans	-70.1	-29.7	176.3	-170.4	176.5	-169.5	171.6	0	112.9	F72 Q73 V74 R80	F72-K76 HydrophobicContact CE1-CD 4.13Å; F72-K76 HydrophobicContact CZ-CD 4.02Å; F72-K76 WeakPolarHBondContact O-CB 3.44Å; F72-K76 PolarHBondContact O-N 3.34Å; Q73-K76 WeakPolarHBondContact O-CB 3.34Å; Q73-K76 PolarHBondContact O-N 2.96Å; V74-K76 VanDerWaalsContact C-N 3.26Å; V74-K76 PolarHBondContact O-N 3.23Å; K76-R80 WeakPolarHBondContact O-CB 3.13Å; K76-R80 VanDerWaalsContact O-CD 3.3Å; K76-R80 WeakPolarHBondContact O-CD 3.44Å; K76-R80 WeakPolarHBondContact O-CG 3.23Å; K76-R80 PolarHBondContact O-N 3.07Å
77	V	93.9	Very high	89.8	Confident	84 Å²	84	58.8 Å²	58.8	51%	0.509	32%	0.318	S	S	.	.	H	α-helix	trans	-69.5	-52.2	169.8	171	0	0	0	0	110.2	Q73 V74 Y79 R80 T81	Q73-V77 WeakPolarHBondContact O-CG2 3.32Å; Q73-V77 PolarHBondContact O-N 2.9Å; V74-V77 WeakPolarHBondContact O-CB 3.29Å; V74-V77 PolarHBondContact O-N 3.01Å; V77-Y79 VanDerWaalsContact C-N 3.3Å; V77-Y79 PolarHBondContact O-N 3.41Å; V77-R80 PolarHBondContact O-N 2.91Å; V77-T81 PolarHBondContact O-N 2.86Å; V77-T81 PolarHBondContact O-OG1 3.3Å; V77-T81 VanDerWaalsContact O-OG1 3.13Å
78	I	94.5	Very high	90.1	Very high	8 Å²	8	60 Å²	60	4%	0.041	33%	0.333	C	S	.	.	H	α-helix	trans	-54.1	-47.4	178.1	-66.5	169.8	0	0	0	110.8	F52 A55 F59 V74 A75 R80 T81 Y82 F130	F52-I78 HydrophobicContact CD2-CG2 4.37Å; F52-I78 HydrophobicContact CE2-CG2 4.03Å; A55-I78 HydrophobicContact CB-CD1 4.44Å; A55-I78 HydrophobicContact CB-CG1 4.35Å; F59-I78 HydrophobicContact CB-CD1 3.87Å; F59-I78 HydrophobicContact CD2-CD1 4.03Å; F59-I78 HydrophobicContact CG-CD1 4.09Å; V74-I78 HydrophobicContact CG1-CD1 4.03Å; V74-I78 HydrophobicContact CG1-CG1 4.46Å; V74-I78 WeakPolarHBondContact O-CG1 3.25Å; V74-I78 PolarHBondContact O-N 3.39Å; A75-I78 PolarHBondContact O-N 3.08Å; I78-R80 PolarHBondContact O-N 3.25Å; I78-T81 PolarHBondContact O-N 3.42Å; I78-Y82 HydrophobicContact CG2-CD2 4.3Å; I78-Y82 PolarHBondContact O-N 3.23Å; I78-F130 HydrophobicContact CB-CE1 4.42Å; I78-F130 HydrophobicContact CB-CE2 4.2Å; I78-F130 HydrophobicContact CB-CZ 3.94Å; I78-F130 HydrophobicContact CD1-CD2 4.28Å; I78-F130 HydrophobicContact CD1-CE2 3.89Å; I78-F130 HydrophobicContact CD1-CZ 4.5Å; I78-F130 HydrophobicContact CG2-CD1 4.14Å; I78-F130 HydrophobicContact CG2-CD2 4.34Å; I78-F130 HydrophobicContact CG2-CE1 3.85Å; I78-F130 HydrophobicContact CG2-CE2 4.06Å; I78-F130 HydrophobicContact CG2-CG 4.38Å; I78-F130 HydrophobicContact CG2-CZ 3.81Å
79	Y	94.9	Very high	90.5	Very high	41 Å²	41	59.4 Å²	59.4	16%	0.161	33%	0.326	C	S	.	.	I	π-helix	trans	-59.5	-42.9	176.3	175.8	-96.8	0	0	0	112.9	A75 V77 I83 K84 I101 N102 L105	A75-Y79 WeakPolarHBondContact O-CB 3.42Å; A75-Y79 PolarHBondContact O-N 2.84Å; V77-Y79 VanDerWaalsContact C-N 3.3Å; V77-Y79 PolarHBondContact O-N 3.41Å; Y79-I83 HydrophobicContact CD2-CB 3.77Å; Y79-I83 HydrophobicContact CD2-CD1 4.45Å; Y79-I83 HydrophobicContact CD2-CG2 3.79Å; Y79-I83 HydrophobicContact CE2-CB 4.25Å; Y79-I83 HydrophobicContact CE2-CG2 3.89Å; Y79-I83 HydrophobicContact CG-CB 4.46Å; Y79-I83 PolarHBondContact O-N 3.08Å; Y79-I83 VanDerWaalsContact O-N 3.09Å; Y79-K84 HydrophobicContact CD1-CB 4.38Å; Y79-K84 HydrophobicContact CE1-CB 3.95Å; Y79-K84 HydrophobicContact CE1-CG 4.14Å; Y79-K84 WeakPolarHBondContact O-CB 3.41Å; Y79-K84 PolarHBondContact O-N 2.95Å; Y79-I101 HydrophobicContact CD2-CG2 3.99Å; Y79-N102 HydrophobicContact CE2-CB 3.94Å; Y79-N102 PolarHBondContact OH-OD1 2.7Å; Y79-L105 HydrophobicContact CD1-CD1 4.34Å; Y79-L105 HydrophobicContact CD2-CD1 3.96Å; Y79-L105 HydrophobicContact CG-CD1 3.68Å
80	R	94.5	Very high	91	Very high	155 Å²	155	59.2 Å²	59.2	59%	0.585	33%	0.331	S	S	*	.	I	π-helix	trans	-70.2	-35.3	-179.9	-79.1	169.9	167.2	-169.9	-8.9	113.6	K76 V77 I78 A87	K76-R80 WeakPolarHBondContact O-CB 3.13Å; K76-R80 VanDerWaalsContact O-CD 3.3Å; K76-R80 WeakPolarHBondContact O-CD 3.44Å; K76-R80 WeakPolarHBondContact O-CG 3.23Å; K76-R80 PolarHBondContact O-N 3.07Å; V77-R80 PolarHBondContact O-N 2.91Å; I78-R80 PolarHBondContact O-N 3.25Å; R80-A87 WeakPolarHBondContact O-CB 3.35Å
81	T	94.9	Very high	91.4	Very high	42 Å²	42	53.7 Å²	53.7	26%	0.258	31%	0.306	S	S	.	.	I	π-helix	trans	-82.4	-38	-176.4	-55.6	0	0	0	0	112.4	V77 I78 A87 H89	V77-T81 PolarHBondContact O-N 2.86Å; V77-T81 PolarHBondContact O-OG1 3.3Å; V77-T81 VanDerWaalsContact O-OG1 3.13Å; I78-T81 PolarHBondContact O-N 3.42Å; T81-A87 VanDerWaalsContact O-CB 3.29Å; T81-A87 WeakPolarHBondContact O-CB 3.32Å; T81-H89 HydrophobicContact CG2-CB 4.46Å
82	Y	96	Very high	91.7	Very high	31 Å²	31	56.6 Å²	56.6	12%	0.122	33%	0.326	C	S	.	.	I	π-helix	trans	-120.9	-27.8	-168.5	-56.7	-72.4	0	0	0	115.1	D51 F52 A55 I78 H89 A90 V91	D51-Y82 HydrophobicContact CB-CE1 4.15Å; D51-Y82 WeakPolarHBondContact CB-OH 3.42Å; F52-Y82 HydrophobicContact CB-CD1 3.83Å; F52-Y82 HydrophobicContact CB-CD2 4.41Å; F52-Y82 HydrophobicContact CB-CE1 4.14Å; F52-Y82 HydrophobicContact CB-CG 3.98Å; F52-Y82 VanDerWaalsContact CD2-CB 3.44Å; F52-Y82 HydrophobicContact CD2-CD1 4.32Å; F52-Y82 AromaticContact CD2-CD2 3.78Å; F52-Y82 HydrophobicContact CD2-CD2 3.78Å; F52-Y82 AromaticContact CD2-CG 3.6Å; F52-Y82 HydrophobicContact CD2-CG 3.6Å; F52-Y82 HydrophobicContact CG-CG 4.21Å; A55-Y82 HydrophobicContact CB-CE2 4.18Å; I78-Y82 HydrophobicContact CG2-CD2 4.3Å; I78-Y82 PolarHBondContact O-N 3.23Å; Y82-H89 HydrophobicContact CD1-CB 3.72Å; Y82-H89 WeakPolarHBondContact CD1-O 3.34Å; Y82-H89 HydrophobicContact CE1-CB 3.83Å; Y82-A90 CarbonylContact O-C 3.58Å; Y82-A90 VanDerWaalsContact O-CA 3.28Å; Y82-A90 WeakPolarHBondContact O-CA 3.49Å; Y82-V91 HydrophobicContact CD1-CG1 4.47Å; Y82-V91 VanDerWaalsContact O-CG2 3.28Å; Y82-V91 WeakPolarHBondContact O-CG2 3.49Å; Y82-V91 PolarHBondContact O-N 3.25Å
83	I	94.9	Very high	91.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	33%	0.326	C	S	.	.	I	π-helix	trans	-103.1	-47.1	-167.7	-55.5	-178.2	0	0	0	111.9	F52 Y79 L93 K98 I101 F130	F52-I83 HydrophobicContact CE2-CD1 4.25Å; F52-I83 HydrophobicContact CE2-CG1 4.17Å; Y79-I83 HydrophobicContact CD2-CB 3.77Å; Y79-I83 HydrophobicContact CD2-CD1 4.45Å; Y79-I83 HydrophobicContact CD2-CG2 3.79Å; Y79-I83 HydrophobicContact CE2-CB 4.25Å; Y79-I83 HydrophobicContact CE2-CG2 3.89Å; Y79-I83 HydrophobicContact CG-CB 4.46Å; Y79-I83 PolarHBondContact O-N 3.08Å; Y79-I83 VanDerWaalsContact O-N 3.09Å; I83-L93 HydrophobicContact CG1-CD1 4.21Å; I83-L93 HydrophobicContact CG2-CD1 4.37Å; I83-K98 HydrophobicContact CG2-CB 4.2Å; I83-K98 HydrophobicContact CG2-CD 4.34Å; I83-K98 HydrophobicContact CG2-CG 3.96Å; I83-K98 WeakPolarHBondContact O-CD 3.46Å; I83-K98 WeakPolarHBondContact O-CE 3.19Å; I83-K98 PolarHBondContact O-NZ 2.9Å; I83-I101 HydrophobicContact CD1-CD1 3.94Å; I83-I101 HydrophobicContact CD1-CG2 4.03Å; I83-F130 HydrophobicContact CD1-CD1 3.67Å; I83-F130 HydrophobicContact CD1-CE1 3.6Å
84	K	92.7	Very high	92.1	Very high	111 Å²	111	54 Å²	54	48%	0.483	32%	0.32	S	S	.	.	S	Bend	trans	-54.4	136.3	-175.7	-170	-161.2	172	-158.8	0	111.8	Y79 G86 A87	Y79-K84 HydrophobicContact CD1-CB 4.38Å; Y79-K84 HydrophobicContact CE1-CB 3.95Å; Y79-K84 HydrophobicContact CE1-CG 4.14Å; Y79-K84 WeakPolarHBondContact O-CB 3.41Å; Y79-K84 PolarHBondContact O-N 2.95Å; K84-G86 PolarHBondContact O-N 3.27Å; K84-A87 VanDerWaalsContact O-CB 3.3Å; K84-A87 WeakPolarHBondContact O-CB 3.23Å; K84-A87 PolarHBondContact O-N 3.17Å
85	S	85.5	Confident	92.1	Very high	105 Å²	105	59.4 Å²	59.4	73%	0.734	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	125.9	170.8	-51.1	0	0	0	0	111.2
86	G	85.2	Confident	92.1	Very high	82 Å²	82	64.2 Å²	64.2	85%	0.845	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	13.8	-177.4	0	0	0	0	0	115.7	K84	K84-G86 PolarHBondContact O-N 3.27Å
87	A	88.5	Confident	92.1	Very high	19 Å²	19	62.5 Å²	62.5	16%	0.157	35%	0.354	C	S	.	.			trans	-70.1	149	167.6	0	0	0	0	0	111.4	R80 T81 K84 H89 A90	R80-A87 WeakPolarHBondContact O-CB 3.35Å; T81-A87 VanDerWaalsContact O-CB 3.29Å; T81-A87 WeakPolarHBondContact O-CB 3.32Å; K84-A87 VanDerWaalsContact O-CB 3.3Å; K84-A87 WeakPolarHBondContact O-CB 3.23Å; K84-A87 PolarHBondContact O-N 3.17Å; A87-H89 PolarHBondContact O-N 3.37Å; A87-A90 HydrophobicContact CB-CB 4.26Å; A87-A90 WeakPolarHBondContact O-CB 3.32Å; A87-A90 PolarHBondContact O-N 2.95Å
88	S	83.6	Confident	92.2	Very high	100 Å²	100	60.3 Å²	60.3	70%	0.699	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-29	-177	58.2	0	0	0	0	113.4
89	H	91.1	Very high	92	Very high	38 Å²	38	62.6 Å²	62.6	18%	0.176	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	36.3	-176.4	-55.6	144.4	0	0	0	110.5	H48 T81 Y82 A87 V91 Y621	H48-H89 HydrophobicContact CB-CB 3.9Å; T81-H89 HydrophobicContact CG2-CB 4.46Å; Y82-H89 HydrophobicContact CD1-CB 3.72Å; Y82-H89 WeakPolarHBondContact CD1-O 3.34Å; Y82-H89 HydrophobicContact CE1-CB 3.83Å; A87-H89 PolarHBondContact O-N 3.37Å; H89-V91 PolarHBondContact O-N 2.97Å; H89-Y621 AromaticContact CE1-CZ 3.8Å; H89-Y621 PolarHBondContact CE1-OH 2.9Å; H89-Y621 AromaticContact NE2-CZ 3.98Å; H89-Y621 PolarHBondContact NE2-OH 2.91Å
90	A	92.4	Very high	92	Very high	42 Å²	42	64.5 Å²	64.5	35%	0.347	36%	0.361	S	S	.	.			trans	-63.5	106	-170.7	0	0	0	0	0	112.9	Y82 A87	Y82-A90 CarbonylContact O-C 3.58Å; Y82-A90 VanDerWaalsContact O-CA 3.28Å; Y82-A90 WeakPolarHBondContact O-CA 3.49Å; A87-A90 HydrophobicContact CB-CB 4.26Å; A87-A90 WeakPolarHBondContact O-CB 3.32Å; A87-A90 PolarHBondContact O-N 2.95Å
91	V	93.8	Very high	91.9	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.006	33%	0.334	C	S	.	.			trans	-70.6	145.3	-179.7	-65.1	0	0	0	0	112.4	L49 F52 Y82 H89 L93 K98 V137	L49-V91 HydrophobicContact CD2-CB 4.48Å; L49-V91 HydrophobicContact CD2-CG1 4.05Å; F52-V91 HydrophobicContact CB-CG1 3.79Å; F52-V91 HydrophobicContact CD1-CG1 4.02Å; F52-V91 HydrophobicContact CD1-CG2 4.19Å; F52-V91 HydrophobicContact CD2-CG1 4.47Å; F52-V91 HydrophobicContact CD2-CG2 4.36Å; F52-V91 HydrophobicContact CE1-CG2 4.16Å; F52-V91 HydrophobicContact CE2-CG2 4.34Å; F52-V91 HydrophobicContact CG-CG1 3.83Å; F52-V91 HydrophobicContact CG-CG2 4.27Å; F52-V91 HydrophobicContact CZ-CG2 4.24Å; Y82-V91 HydrophobicContact CD1-CG1 4.47Å; Y82-V91 VanDerWaalsContact O-CG2 3.28Å; Y82-V91 WeakPolarHBondContact O-CG2 3.49Å; Y82-V91 PolarHBondContact O-N 3.25Å; H89-V91 PolarHBondContact O-N 2.97Å; V91-L93 HydrophobicContact CG2-CD1 3.62Å; V91-L93 HydrophobicContact CG2-CD2 4.37Å; V91-L93 HydrophobicContact CG2-CG 3.7Å; V91-L93 PolarHBondContact O-N 3.12Å; V91-K98 WeakPolarHBondContact O-CE 3.49Å; V91-K98 PolarHBondContact O-NZ 3.08Å; V91-V137 HydrophobicContact CB-CG2 4.23Å
92	P	92.5	Very high	91.8	Very high	73 Å²	73	57.5 Å²	57.5	47%	0.474	33%	0.334	S	S	.	.			trans	-77.8	84.1	-179.4	32.2	-36.2	0	0	0	111.3	L49 L140	L49-P92 HydrophobicContact CD2-CG 4.45Å; P92-L140 HydrophobicContact CG-CD2 3.41Å; P92-L140 VanDerWaalsContact CG-CD2 3.41Å
93	L	93.7	Very high	91.6	Very high	15 Å²	15	61.9 Å²	61.9	8%	0.079	36%	0.355	C	S	.	.			trans	-109.2	145.4	174.8	-55.5	168.2	0	0	0	111.1	F52 I83 V91 L97 K98 A133 V136 V137	F52-L93 HydrophobicContact CZ-CD1 4.47Å; I83-L93 HydrophobicContact CG1-CD1 4.21Å; I83-L93 HydrophobicContact CG2-CD1 4.37Å; V91-L93 HydrophobicContact CG2-CD1 3.62Å; V91-L93 HydrophobicContact CG2-CD2 4.37Å; V91-L93 HydrophobicContact CG2-CG 3.7Å; V91-L93 PolarHBondContact O-N 3.12Å; L93-L97 HydrophobicContact CD2-CD2 4.47Å; L93-K98 HydrophobicContact CB-CD 4.43Å; L93-K98 HydrophobicContact CB-CG 3.94Å; L93-K98 WeakPolarHBondContact O-CE 3.39Å; L93-A133 HydrophobicContact CD1-CB 3.68Å; L93-A133 HydrophobicContact CD2-CB 3.83Å; L93-A133 WeakPolarHBondContact CD2-O 3.41Å; L93-A133 HydrophobicContact CG-CB 4.4Å; L93-V136 HydrophobicContact CD2-CB 3.93Å; L93-V136 HydrophobicContact CD2-CG1 3.85Å; L93-V137 HydrophobicContact CD2-CG2 4.02Å
94	P	93.5	Very high	91.4	Very high	67 Å²	67	65 Å²	65	44%	0.435	38%	0.376	S	S	.	.			trans	-52.5	140.1	172.2	-27.8	34.8	0	0	0	113	I96 L97 K98	P94-I96 VanDerWaalsContact C-N 3.28Å; P94-I96 PolarHBondContact O-N 2.97Å; P94-L97 PolarHBondContact O-N 3.15Å; P94-K98 PolarHBondContact O-N 3.44Å; P94-K98 VanDerWaalsContact O-N 3.11Å
95	Y	92.3	Very high	91.3	Very high	171 Å²	171	60.3 Å²	60.3	67%	0.671	36%	0.357	S	S	*	.	H	α-helix	trans	-53	-42.6	-177.5	171.2	-102.2	0	0	0	113.3	L97 K98 Q99	Y95-L97 VanDerWaalsContact C-N 3.32Å; Y95-L97 PolarHBondContact O-N 2.85Å; Y95-K98 PolarHBondContact O-N 3.35Å; Y95-Q99 HydrophobicContact CD2-CG 4.42Å; Y95-Q99 HydrophobicContact CE1-CG 3.98Å; Y95-Q99 HydrophobicContact CE2-CG 3.87Å; Y95-Q99 PolarHBondContact O-N 2.98Å; Y95-Q99 PolarHBondContact OH-NE2 3.32Å
96	I	93.2	Very high	91.5	Very high	102 Å²	102	57.2 Å²	57.2	52%	0.523	34%	0.335	S	S	.	.	H	α-helix	trans	-55.8	-47.6	177.7	-59	172.4	0	0	0	110.4	P94 K98 Q99 N100	P94-I96 VanDerWaalsContact C-N 3.28Å; P94-I96 PolarHBondContact O-N 2.97Å; I96-K98 PolarHBondContact O-N 3.06Å; I96-Q99 PolarHBondContact O-N 3.18Å; I96-Q99 VanDerWaalsContact O-N 3.14Å; I96-N100 PolarHBondContact O-N 3.11Å; I96-N100 PolarHBondContact O-OD1 3.23Å
97	L	93.1	Very high	91.5	Very high	25 Å²	25	57.3 Å²	57.3	13%	0.131	32%	0.323	C	S	.	.	H	α-helix	trans	-67.9	-36.3	-179.4	-178.4	57.2	0	0	0	112.3	L93 P94 Y95 Q99 I101 A133 V136	L93-L97 HydrophobicContact CD2-CD2 4.47Å; P94-L97 PolarHBondContact O-N 3.15Å; Y95-L97 VanDerWaalsContact C-N 3.32Å; Y95-L97 PolarHBondContact O-N 2.85Å; L97-Q99 VanDerWaalsContact C-N 3.28Å; L97-Q99 PolarHBondContact O-N 3.23Å; L97-I101 HydrophobicContact CD1-CD1 4.09Å; L97-I101 HydrophobicContact CD1-CG1 4.4Å; L97-I101 HydrophobicContact CG-CD1 4.22Å; L97-I101 WeakPolarHBondContact O-CG1 3.5Å; L97-I101 PolarHBondContact O-N 3.33Å; L97-A133 HydrophobicContact CD2-CB 3.95Å; L97-A133 HydrophobicContact CG-CB 4.44Å; L97-V136 HydrophobicContact CD2-CG2 4.34Å
98	K	94.5	Very high	91.3	Very high	39 Å²	39	57.2 Å²	57.2	17%	0.17	32%	0.318	C	S	.	.	H	α-helix	trans	-63.1	-34.3	172.3	-63.3	-161.9	171	-155.5	0	112.1	I83 V91 L93 P94 Y95 I96 N102	I83-K98 HydrophobicContact CG2-CB 4.2Å; I83-K98 HydrophobicContact CG2-CD 4.34Å; I83-K98 HydrophobicContact CG2-CG 3.96Å; I83-K98 WeakPolarHBondContact O-CD 3.46Å; I83-K98 WeakPolarHBondContact O-CE 3.19Å; I83-K98 PolarHBondContact O-NZ 2.9Å; V91-K98 WeakPolarHBondContact O-CE 3.49Å; V91-K98 PolarHBondContact O-NZ 3.08Å; L93-K98 HydrophobicContact CB-CD 4.43Å; L93-K98 HydrophobicContact CB-CG 3.94Å; L93-K98 WeakPolarHBondContact O-CE 3.39Å; P94-K98 PolarHBondContact O-N 3.44Å; P94-K98 VanDerWaalsContact O-N 3.11Å; Y95-K98 PolarHBondContact O-N 3.35Å; I96-K98 PolarHBondContact O-N 3.06Å; K98-N102 WeakPolarHBondContact O-CB 3.46Å; K98-N102 PolarHBondContact O-N 3.47Å
99	Q	92.3	Very high	91.3	Very high	56 Å²	56	55.1 Å²	55.1	26%	0.262	30%	0.298	S	S	.	.	H	α-helix	trans	-75	-46.2	175.1	-70.4	-66.3	19.1	0	0	112.8	Y95 I96 L97 I101 N102 E103	Y95-Q99 HydrophobicContact CD2-CG 4.42Å; Y95-Q99 HydrophobicContact CE1-CG 3.98Å; Y95-Q99 HydrophobicContact CE2-CG 3.87Å; Y95-Q99 PolarHBondContact O-N 2.98Å; Y95-Q99 PolarHBondContact OH-NE2 3.32Å; I96-Q99 PolarHBondContact O-N 3.18Å; I96-Q99 VanDerWaalsContact O-N 3.14Å; L97-Q99 VanDerWaalsContact C-N 3.28Å; L97-Q99 PolarHBondContact O-N 3.23Å; Q99-I101 VanDerWaalsContact C-N 3.26Å; Q99-I101 PolarHBondContact O-N 3.24Å; Q99-N102 CarbonylContact O-C 3.23Å; Q99-N102 WeakPolarHBondContact O-CA 3.45Å; Q99-N102 WeakPolarHBondContact O-CB 3.36Å; Q99-N102 PolarHBondContact O-N 3.39Å; Q99-N102 PolarHBondContact OE1-ND2 3.47Å; Q99-E103 WeakPolarHBondContact O-CG 3.49Å; Q99-E103 PolarHBondContact O-N 3.14Å
100	N	92.9	Very high	90.7	Very high	81 Å²	81	58.7 Å²	58.7	43%	0.433	31%	0.314	S	S	.	.	H	α-helix	trans	-52.3	-45.8	177.3	-66.2	10	0	0	0	111.7	I96 E103 C104	I96-N100 PolarHBondContact O-N 3.11Å; I96-N100 PolarHBondContact O-OD1 3.23Å; N100-E103 PolarHBondContact O-N 2.92Å; N100-C104 PolarHBondContact O-N 3.46Å; N100-C104 PolarHBondContact O-SG 2.86Å
101	I	93.5	Very high	89.7	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.015	30%	0.304	C	S	.	.	H	α-helix	trans	-66.5	-39.3	178.4	-64.7	169	0	0	0	111.4	Y79 I83 L97 Q99 L105 L129 F130 A133	Y79-I101 HydrophobicContact CD2-CG2 3.99Å; I83-I101 HydrophobicContact CD1-CD1 3.94Å; I83-I101 HydrophobicContact CD1-CG2 4.03Å; L97-I101 HydrophobicContact CD1-CD1 4.09Å; L97-I101 HydrophobicContact CD1-CG1 4.4Å; L97-I101 HydrophobicContact CG-CD1 4.22Å; L97-I101 WeakPolarHBondContact O-CG1 3.5Å; L97-I101 PolarHBondContact O-N 3.33Å; Q99-I101 VanDerWaalsContact C-N 3.26Å; Q99-I101 PolarHBondContact O-N 3.24Å; I101-L105 HydrophobicContact CG2-CD1 4.06Å; I101-L105 WeakPolarHBondContact O-CB 2.88Å; I101-L105 VanDerWaalsContact O-CG 3.31Å; I101-L105 WeakPolarHBondContact O-CG 3.41Å; I101-L105 PolarHBondContact O-N 3.3Å; I101-L105 VanDerWaalsContact O-N 3.11Å; I101-L129 HydrophobicContact CG1-CD1 4.33Å; I101-L129 HydrophobicContact CG2-CD1 4.36Å; I101-L129 HydrophobicContact CG2-CD2 4.46Å; I101-L129 HydrophobicContact CG2-CG 4.36Å; I101-F130 HydrophobicContact CD1-CD1 4.25Å; I101-F130 HydrophobicContact CG2-CD1 4.32Å; I101-F130 HydrophobicContact CG2-CE1 3.8Å; I101-A133 HydrophobicContact CD1-CB 4.09Å
102	N	93.5	Very high	88.4	Confident	46 Å²	46	63.7 Å²	63.7	25%	0.246	33%	0.329	C	S	.	.	H	α-helix	trans	-64.5	-38.2	174.9	179.1	45.9	0	0	0	112.2	Y79 K98 Q99 S106	Y79-N102 HydrophobicContact CE2-CB 3.94Å; Y79-N102 PolarHBondContact OH-OD1 2.7Å; K98-N102 WeakPolarHBondContact O-CB 3.46Å; K98-N102 PolarHBondContact O-N 3.47Å; Q99-N102 CarbonylContact O-C 3.23Å; Q99-N102 WeakPolarHBondContact O-CA 3.45Å; Q99-N102 WeakPolarHBondContact O-CB 3.36Å; Q99-N102 PolarHBondContact O-N 3.39Å; Q99-N102 PolarHBondContact OE1-ND2 3.47Å; N102-S106 WeakPolarHBondContact O-CB 3.24Å; N102-S106 PolarHBondContact O-N 3.46Å; N102-S106 PolarHBondContact O-OG 3.48Å
103	E	90.9	Very high	87.1	Confident	123 Å²	123	67.7 Å²	67.7	58%	0.575	34%	0.339	S	S	*	.	H	α-helix	trans	-68.2	-46.5	177.1	-73.9	175.3	-168.4	0	0	111.7	Q99 N100 L105 S106 S107	Q99-E103 WeakPolarHBondContact O-CG 3.49Å; Q99-E103 PolarHBondContact O-N 3.14Å; N100-E103 PolarHBondContact O-N 2.92Å; E103-L105 PolarHBondContact O-N 3.06Å; E103-S106 PolarHBondContact O-N 2.88Å; E103-S107 WeakPolarHBondContact O-CB 3.4Å; E103-S107 PolarHBondContact O-N 3.03Å
104	C	90.5	Very high	85.4	Confident	66 Å²	66	73.8 Å²	73.8	45%	0.446	37%	0.365	S	S	.	.	H	α-helix	trans	-56.8	-50.3	173.9	-68	0	0	0	0	111.9	N100 S106 S107 Y108 L129	N100-C104 PolarHBondContact O-N 3.46Å; N100-C104 PolarHBondContact O-SG 2.86Å; C104-S106 VanDerWaalsContact C-N 3.32Å; C104-S106 PolarHBondContact O-N 2.93Å; C104-S107 PolarHBondContact O-N 3.44Å; C104-Y108 PolarHBondContact O-N 3.1Å; C104-Y108 VanDerWaalsContact O-N 3.17Å; C104-L129 HydrophobicContact CB-CD1 3.7Å
105	L	91.1	Very high	83.5	Confident	12 Å²	12	73.6 Å²	73.6	6%	0.063	37%	0.374	C	S	.	.	H	α-helix	trans	-65.4	-34.9	178.4	-69.1	172.2	0	0	0	112.6	F72 A75 Y79 I101 E103 H109 P125 L129	F72-L105 HydrophobicContact CD2-CD2 3.89Å; F72-L105 HydrophobicContact CE2-CB 4.35Å; F72-L105 HydrophobicContact CE2-CD2 3.85Å; A75-L105 HydrophobicContact CB-CD2 3.78Å; Y79-L105 HydrophobicContact CD1-CD1 4.34Å; Y79-L105 HydrophobicContact CD2-CD1 3.96Å; Y79-L105 HydrophobicContact CG-CD1 3.68Å; I101-L105 HydrophobicContact CG2-CD1 4.06Å; I101-L105 WeakPolarHBondContact O-CB 2.88Å; I101-L105 VanDerWaalsContact O-CG 3.31Å; I101-L105 WeakPolarHBondContact O-CG 3.41Å; I101-L105 PolarHBondContact O-N 3.3Å; I101-L105 VanDerWaalsContact O-N 3.11Å; E103-L105 PolarHBondContact O-N 3.06Å; L105-H109 WeakPolarHBondContact O-CB 3.27Å; L105-H109 PolarHBondContact O-N 3Å; L105-P125 HydrophobicContact CD2-CB 4.48Å; L105-P125 HydrophobicContact CD2-CG 4.32Å; L105-L129 HydrophobicContact CD2-CD2 4Å; L105-L129 HydrophobicContact CG-CD2 4.21Å
106	S	89.7	Confident	81.5	Confident	41 Å²	41	67.3 Å²	67.3	29%	0.287	35%	0.352	S	S	.	.	H	α-helix	trans	-70.9	-40.6	175.9	-67.5	0	0	0	0	112	N102 E103 C104 H109 H110	N102-S106 WeakPolarHBondContact O-CB 3.24Å; N102-S106 PolarHBondContact O-N 3.46Å; N102-S106 PolarHBondContact O-OG 3.48Å; E103-S106 PolarHBondContact O-N 2.88Å; C104-S106 VanDerWaalsContact C-N 3.32Å; C104-S106 PolarHBondContact O-N 2.93Å; S106-H109 PolarHBondContact O-N 3.34Å; S106-H110 PolarHBondContact O-N 3.43Å; S106-H110 PolarHBondContact O-ND1 3.05Å
107	S	85.4	Confident	79.2	Confident	83 Å²	83	68.5 Å²	68.5	58%	0.58	37%	0.37	S	S	*	.	H	α-helix	trans	-58.9	-51.4	177.5	-175.3	0	0	0	0	110.8	E103 C104 H109 H110 G111	E103-S107 WeakPolarHBondContact O-CB 3.4Å; E103-S107 PolarHBondContact O-N 3.03Å; C104-S107 PolarHBondContact O-N 3.44Å; S107-H109 PolarHBondContact O-N 3.25Å; S107-H110 PolarHBondContact O-N 2.75Å; S107-G111 PolarHBondContact O-N 2.85Å
108	Y	83.4	Confident	76.9	Confident	18 Å²	18	72.5 Å²	72.5	7%	0.071	40%	0.399	C	S	.	.	H	α-helix	trans	-57.9	-47.5	176.4	-170.7	-99.4	0	0	0	112.2	D69 F72 C104 H110 G111 Y112 V122 Q123 P124 P125	D69-Y108 PolarHBondContact OD1-OH 2.99Å; F72-Y108 HydrophobicContact CB-CD1 3.85Å; F72-Y108 HydrophobicContact CB-CE1 3.61Å; F72-Y108 AromaticContact CD1-CD1 3.76Å; F72-Y108 HydrophobicContact CD1-CD1 3.76Å; F72-Y108 AromaticContact CD1-CE1 3.82Å; F72-Y108 HydrophobicContact CD1-CE1 3.82Å; F72-Y108 AromaticContact CD2-CD1 3.47Å; F72-Y108 HydrophobicContact CD2-CD1 3.47Å; F72-Y108 VanDerWaalsContact CD2-CD1 3.47Å; F72-Y108 HydrophobicContact CD2-CE1 4.14Å; F72-Y108 HydrophobicContact CD2-CG 4.27Å; F72-Y108 HydrophobicContact CE1-CD1 4.16Å; F72-Y108 AromaticContact CE2-CD1 3.9Å; F72-Y108 HydrophobicContact CE2-CD1 3.9Å; F72-Y108 AromaticContact CG-CD1 3.4Å; F72-Y108 HydrophobicContact CG-CD1 3.4Å; F72-Y108 AromaticContact CG-CE1 3.59Å; F72-Y108 HydrophobicContact CG-CE1 3.59Å; F72-Y108 HydrophobicContact CZ-CD1 4.23Å; C104-Y108 PolarHBondContact O-N 3.1Å; C104-Y108 VanDerWaalsContact O-N 3.17Å; Y108-H110 VanDerWaalsContact C-N 3.32Å; Y108-H110 PolarHBondContact O-N 3.36Å; Y108-G111 PolarHBondContact O-N 3.26Å; Y108-G111 VanDerWaalsContact O-N 3.16Å; Y108-Y112 HydrophobicContact CE1-CD2 4.37Å; Y108-Y112 WeakPolarHBondContact O-CB 3.29Å; Y108-Y112 PolarHBondContact O-N 3Å; Y108-V122 HydrophobicContact CD2-CG1 3.68Å; Y108-V122 HydrophobicContact CE2-CG1 4.02Å; Y108-V122 HydrophobicContact CG-CG1 4.47Å; Y108-Q123 VanDerWaalsContact CD2-O 3.28Å; Y108-Q123 WeakPolarHBondContact CD2-O 3.22Å; Y108-P124 HydrophobicContact CE2-CB 4.28Å; Y108-P125 HydrophobicContact CG-CG 4.36Å
109	H	83.2	Confident	74.4	Confident	56 Å²	56	72.6 Å²	72.6	26%	0.259	40%	0.402	S	S	.	.	H	α-helix	trans	-59.7	-38.1	178.6	-175.7	-114.3	0	0	0	113.5	F72 L105 S106 S107 K113	F72-H109 HydrophobicContact CZ-CB 3.91Å; L105-H109 WeakPolarHBondContact O-CB 3.27Å; L105-H109 PolarHBondContact O-N 3Å; S106-H109 PolarHBondContact O-N 3.34Å; S107-H109 PolarHBondContact O-N 3.25Å; H109-K113 WeakPolarHBondContact O-CB 3.37Å; H109-K113 PolarHBondContact O-N 2.65Å
110	H	78.9	Confident	72.4	Confident	113 Å²	113	74.1 Å²	74.1	52%	0.523	42%	0.424	S	S	.	.	H	α-helix	trans	-75.9	-27.8	177.3	-74.3	99.5	0	0	0	113.4	S106 S107 Y108 K114	S106-H110 PolarHBondContact O-N 3.43Å; S106-H110 PolarHBondContact O-ND1 3.05Å; S107-H110 PolarHBondContact O-N 2.75Å; Y108-H110 VanDerWaalsContact C-N 3.32Å; Y108-H110 PolarHBondContact O-N 3.36Å; H110-K114 WeakPolarHBondContact O-CG 3.42Å
111	G	71.4	Confident	70.5	Confident	13 Å²	13	71.8 Å²	71.8	13%	0.134	41%	0.414	C	S	.	.	H	α-helix	trans	-65.8	-56.4	168.4	0	0	0	0	0	111.1	S107 Y108 K113 K114	S107-G111 PolarHBondContact O-N 2.85Å; Y108-G111 PolarHBondContact O-N 3.26Å; Y108-G111 VanDerWaalsContact O-N 3.16Å; G111-K113 PolarHBondContact O-N 2.84Å; G111-K114 PolarHBondContact O-N 2.78Å
112	Y	68.1	Low	68.9	Low	135 Å²	135	74.3 Å²	74.3	53%	0.529	43%	0.43	S	S	.	.	H	α-helix	trans	-56.3	-51.5	-179	-166	-90.5	0	0	0	112.3	D69 Y108 K114 G115	D69-Y112 WeakPolarHBondContact OD1-CE2 3.46Å; D69-Y112 PolarHBondContact OD2-OH 2.71Å; Y108-Y112 HydrophobicContact CE1-CD2 4.37Å; Y108-Y112 WeakPolarHBondContact O-CB 3.29Å; Y108-Y112 PolarHBondContact O-N 3Å; Y112-K114 PolarHBondContact O-N 2.93Å; Y112-K114 VanDerWaalsContact O-N 3.13Å; Y112-G115 PolarHBondContact O-N 2.89Å
113	K	63.3	Low	67.7	Low	157 Å²	157	79 Å²	79	68%	0.683	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.9	-177.8	-88.9	-157.3	169.8	-162.8	0	115.7	H109 G111	H109-K113 WeakPolarHBondContact O-CB 3.37Å; H109-K113 PolarHBondContact O-N 2.65Å; G111-K113 PolarHBondContact O-N 2.84Å
114	K	59.7	Low	66.8	Low	143 Å²	143	75.3 Å²	75.3	62%	0.622	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	1	-177.9	-71.7	-172.7	174.8	-174.2	0	113.6	H110 G111 Y112 L116	H110-K114 WeakPolarHBondContact O-CG 3.42Å; G111-K114 PolarHBondContact O-N 2.78Å; Y112-K114 PolarHBondContact O-N 2.93Å; Y112-K114 VanDerWaalsContact O-N 3.13Å; K114-L116 VanDerWaalsContact C-N 3.26Å; K114-L116 HydrophobicContact CB-CD1 3.43Å; K114-L116 VanDerWaalsContact CB-CD1 3.43Å; K114-L116 WeakPolarHBondContact O-CD1 3.38Å; K114-L116 PolarHBondContact O-N 2.87Å
115	G	51.8	Low	66.3	Low	62 Å²	62	72.6 Å²	72.6	64%	0.639	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	11.8	175.5	0	0	0	0	0	115.2	Y112 S117	Y112-G115 PolarHBondContact O-N 2.89Å; G115-S117 PolarHBondContact O-N 2.83Å
116	L	50.5	Low	66	Low	40 Å²	40	77.6 Å²	77.6	21%	0.209	45%	0.445	C	S	.	.			trans	-77	47	176.4	-69.7	93.3	0	0	0	112.1	K114 S118 N119 L1043 K1044	K114-L116 VanDerWaalsContact C-N 3.26Å; K114-L116 HydrophobicContact CB-CD1 3.43Å; K114-L116 VanDerWaalsContact CB-CD1 3.43Å; K114-L116 WeakPolarHBondContact O-CD1 3.38Å; K114-L116 PolarHBondContact O-N 2.87Å; L116-S118 PolarHBondContact O-N 2.88Å; L116-N119 PolarHBondContact O-N 2.89Å; L116-L1043 HydrophobicContact CD2-CD1 4.25Å; L116-L1043 HydrophobicContact CD2-CD2 3.67Å; L116-K1044 HydrophobicContact CD2-CD 4.49Å
117	S	46.4	Very low	65.8	Low	127 Å²	127	80.5 Å²	80.5	89%	0.888	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-6.2	-178.2	-167.2	0	0	0	0	114	G115	G115-S117 PolarHBondContact O-N 2.83Å
118	S	44.4	Very low	66	Low	108 Å²	108	80.1 Å²	80.1	76%	0.755	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-5.6	178.9	57.7	0	0	0	0	114.7	L116	L116-S118 PolarHBondContact O-N 2.88Å
119	N	42	Very low	66.4	Low	41 Å²	41	80.5 Å²	80.5	22%	0.219	45%	0.449	C	S	.	.			trans	-114.1	118.5	-171.5	-84.3	73.7	0	0	0	112.7	L116 S121 L1043	L116-N119 PolarHBondContact O-N 2.89Å; N119-S121 PolarHBondContact O-N 2.97Å; N119-L1043 WeakPolarHBondContact ND2-CB 3.22Å; N119-L1043 VanDerWaalsContact OD1-CD1 3.32Å; N119-L1043 WeakPolarHBondContact OD1-CD1 3.36Å
120	A	50	Low	67	Low	89 Å²	89	77.9 Å²	77.9	74%	0.736	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	42.2	-172.3	0	0	0	0	0	115.1	N1045	A120-N1045 PolarHBondContact O-ND2 3.11Å
121	S	53	Low	67.7	Low	31 Å²	31	74.2 Å²	74.2	22%	0.217	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-35	171	-150.6	0	0	0	0	113	N119 Q123 N1045	N119-S121 PolarHBondContact O-N 2.97Å; S121-Q123 VanDerWaalsContact C-N 3.3Å; S121-Q123 PolarHBondContact O-N 3.33Å; S121-N1045 WeakPolarHBondContact CA-OD1 3.27Å; S121-N1045 WeakPolarHBondContact CB-OD1 3.36Å; S121-N1045 PolarHBondContact N-OD1 2.92Å; S121-N1045 PolarHBondContact OG-OD1 3.1Å
122	V	60.8	Low	68.8	Low	56 Å²	56	77.2 Å²	77.2	34%	0.339	44%	0.441	S	S	.	.			trans	-92.1	71.7	-156.8	-169.2	0	0	0	0	108.9	Y108	Y108-V122 HydrophobicContact CD2-CG1 3.68Å; Y108-V122 HydrophobicContact CE2-CG1 4.02Å; Y108-V122 HydrophobicContact CG-CG1 4.47Å
123	Q	66.5	Low	70.1	Confident	144 Å²	144	70.8 Å²	70.8	67%	0.673	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-57	138.4	175.4	-61.6	-61.5	-3.1	0	0	109.9	Y108 S121	Y108-Q123 VanDerWaalsContact CD2-O 3.28Å; Y108-Q123 WeakPolarHBondContact CD2-O 3.22Å; S121-Q123 VanDerWaalsContact C-N 3.3Å; S121-Q123 PolarHBondContact O-N 3.33Å
124	P	73.1	Confident	71.6	Confident	47 Å²	47	63.7 Å²	63.7	31%	0.305	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-60.2	160.4	173.1	29.1	-35.2	0	0	0	110.6	P68 L71 Y108 D126	P68-P124 HydrophobicContact CB-CB 3.74Å; P68-P124 HydrophobicContact CB-CG 4.41Å; L71-P124 HydrophobicContact CD2-CB 4.47Å; Y108-P124 HydrophobicContact CE2-CB 4.28Å; P124-D126 PolarHBondContact O-N 2.9Å; P124-D126 VanDerWaalsContact O-N 3.13Å
125	P	80.5	Confident	73.3	Confident	8 Å²	8	61.3 Å²	61.3	5%	0.052	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-61.3	121.1	176.6	-12.9	25.9	0	0	0	109.5	L71 F72 L105 Y108 L129	L71-P125 VanDerWaalsContact CD2-O 3.26Å; L71-P125 WeakPolarHBondContact CD2-O 3.41Å; F72-P125 HydrophobicContact CB-CG 4.1Å; F72-P125 HydrophobicContact CD2-CG 3.85Å; F72-P125 HydrophobicContact CG-CG 4.45Å; L105-P125 HydrophobicContact CD2-CB 4.48Å; L105-P125 HydrophobicContact CD2-CG 4.32Å; Y108-P125 HydrophobicContact CG-CG 4.36Å; P125-L129 HydrophobicContact CB-CD2 3.97Å
126	D	84	Confident	75.4	Confident	117 Å²	117	60.8 Å²	60.8	63%	0.626	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-54.8	145.3	-176.6	-66.2	-54.7	0	0	0	111.6	P124 C128 L129	P124-D126 PolarHBondContact O-N 2.9Å; P124-D126 VanDerWaalsContact O-N 3.13Å; D126-C128 PolarHBondContact O-N 3.39Å; D126-L129 WeakPolarHBondContact O-CB 3.26Å; D126-L129 PolarHBondContact O-N 2.78Å
127	R	85.9	Confident	77.5	Confident	102 Å²	102	59 Å²	59	39%	0.385	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-28.2	175.3	-64.7	-171	-176.7	-162.4	2.7	112	F59 R60	F59-R127 WeakPolarHBondContact CD1-O 3.32Å; F59-R127 WeakPolarHBondContact CE1-O 3.43Å; R60-R127 VanDerWaalsContact CG-O 3.31Å; R60-R127 WeakPolarHBondContact CG-O 3.47Å
128	C	89.4	Confident	79.8	Confident	76 Å²	76	54.6 Å²	54.6	51%	0.514	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	4.4	177.4	-65.4	0	0	0	0	115.2	D126 F130 D131	D126-C128 PolarHBondContact O-N 3.39Å; C128-F130 PolarHBondContact O-N 2.97Å; C128-D131 WeakPolarHBondContact CA-OD2 3.49Å; C128-D131 HydrophobicContact CB-CB 4.48Å; C128-D131 VanDerWaalsContact CB-OD2 3.27Å; C128-D131 WeakPolarHBondContact CB-OD2 3.45Å; C128-D131 WeakPolarHBondContact O-CB 3.42Å; C128-D131 PolarHBondContact O-N 3.37Å; C128-D131 PolarHBondContact SG-OD2 3.07Å
129	L	92.1	Very high	82.2	Confident	25 Å²	25	52 Å²	52	13%	0.131	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-33.5	-176.8	174.6	66.1	0	0	0	113.9	F59 A75 I101 C104 L105 P125 D126	F59-L129 HydrophobicContact CE1-CB 4.4Å; A75-L129 HydrophobicContact CB-CD2 4.24Å; I101-L129 HydrophobicContact CG1-CD1 4.33Å; I101-L129 HydrophobicContact CG2-CD1 4.36Å; I101-L129 HydrophobicContact CG2-CD2 4.46Å; I101-L129 HydrophobicContact CG2-CG 4.36Å; C104-L129 HydrophobicContact CB-CD1 3.7Å; L105-L129 HydrophobicContact CD2-CD2 4Å; L105-L129 HydrophobicContact CG-CD2 4.21Å; P125-L129 HydrophobicContact CB-CD2 3.97Å; D126-L129 WeakPolarHBondContact O-CB 3.26Å; D126-L129 PolarHBondContact O-N 2.78Å
130	F	95.2	Very high	84.7	Confident	1 Å²	1	52.3 Å²	52.3	0%	0.004	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-0.1	-176.7	-56.4	-66	0	0	0	114	C56 F59 A75 I78 I83 I101 C128 S132 A133 Q134	C56-F130 HydrophobicContact CB-CB 4.31Å; C56-F130 VanDerWaalsContact SG-CB 3.57Å; F59-F130 AromaticContact CD1-CD2 3.53Å; F59-F130 HydrophobicContact CD1-CD2 3.53Å; F59-F130 AromaticContact CD1-CE2 3.78Å; F59-F130 HydrophobicContact CD1-CE2 3.78Å; F59-F130 HydrophobicContact CD2-CE2 4.21Å; F59-F130 AromaticContact CE1-CD2 3.82Å; F59-F130 HydrophobicContact CE1-CD2 3.82Å; F59-F130 AromaticContact CE1-CE2 3.76Å; F59-F130 HydrophobicContact CE1-CE2 3.76Å; F59-F130 HydrophobicContact CE2-CE2 4.21Å; F59-F130 AromaticContact CG-CD2 3.99Å; F59-F130 HydrophobicContact CG-CD2 3.99Å; F59-F130 HydrophobicContact CG-CE2 4Å; F59-F130 AromaticContact CZ-CE2 3.99Å; F59-F130 HydrophobicContact CZ-CE2 3.99Å; A75-F130 HydrophobicContact CB-CE2 3.98Å; A75-F130 HydrophobicContact CB-CZ 3.89Å; I78-F130 HydrophobicContact CB-CE1 4.42Å; I78-F130 HydrophobicContact CB-CE2 4.2Å; I78-F130 HydrophobicContact CB-CZ 3.94Å; I78-F130 HydrophobicContact CD1-CD2 4.28Å; I78-F130 HydrophobicContact CD1-CE2 3.89Å; I78-F130 HydrophobicContact CD1-CZ 4.5Å; I78-F130 HydrophobicContact CG2-CD1 4.14Å; I78-F130 HydrophobicContact CG2-CD2 4.34Å; I78-F130 HydrophobicContact CG2-CE1 3.85Å; I78-F130 HydrophobicContact CG2-CE2 4.06Å; I78-F130 HydrophobicContact CG2-CG 4.38Å; I78-F130 HydrophobicContact CG2-CZ 3.81Å; I83-F130 HydrophobicContact CD1-CD1 3.67Å; I83-F130 HydrophobicContact CD1-CE1 3.6Å; I101-F130 HydrophobicContact CD1-CD1 4.25Å; I101-F130 HydrophobicContact CG2-CD1 4.32Å; I101-F130 HydrophobicContact CG2-CE1 3.8Å; C128-F130 PolarHBondContact O-N 2.97Å; F130-S132 PolarHBondContact O-N 3.25Å; F130-A133 CarbonylContact O-C 3.5Å; F130-A133 WeakPolarHBondContact O-CA 3.36Å; F130-A133 WeakPolarHBondContact O-CB 3.48Å; F130-A133 PolarHBondContact O-N 3.04Å; F130-Q134 PolarHBondContact O-N 2.87Å
131	D	94	Very high	86.9	Confident	37 Å²	37	48 Å²	48	20%	0.198	27%	0.267	C	S	.	.	H	α-helix	trans	-65.2	-43.8	-168.1	-68.3	5.9	0	0	0	111.9	R60 C128 A133 Q134 N135	R60-D131 WeakPolarHBondContact CD-OD1 3.35Å; R60-D131 IonicContact CZ-OD1 3.64Å; R60-D131 IonicContact NE-OD1 3.92Å; R60-D131 IonicContact NH1-OD1 2.69Å; R60-D131 PolarHBondContact NH1-OD1 3.48Å; R60-D131 IonicContact NH1-OD2 3.98Å; C128-D131 WeakPolarHBondContact CA-OD2 3.49Å; C128-D131 HydrophobicContact CB-CB 4.48Å; C128-D131 VanDerWaalsContact CB-OD2 3.27Å; C128-D131 WeakPolarHBondContact CB-OD2 3.45Å; C128-D131 WeakPolarHBondContact O-CB 3.42Å; C128-D131 PolarHBondContact O-N 3.37Å; C128-D131 PolarHBondContact SG-OD2 3.07Å; D131-A133 PolarHBondContact O-N 3.46Å; D131-Q134 PolarHBondContact O-N 3.1Å; D131-N135 WeakPolarHBondContact O-CB 3.12Å; D131-N135 VanDerWaalsContact O-CG 3.23Å; D131-N135 PolarHBondContact O-N 3.14Å
132	S	93.8	Very high	88.9	Confident	76 Å²	76	50.4 Å²	50.4	53%	0.531	27%	0.274	S	S	.	.	H	α-helix	trans	-59.2	-29.1	171.9	-58.2	0	0	0	0	113.1	F130 V136	F130-S132 PolarHBondContact O-N 3.25Å; S132-V136 WeakPolarHBondContact O-CG2 3.39Å; S132-V136 PolarHBondContact O-N 2.86Å
133	A	95.7	Very high	90.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-83.7	-39.4	178.6	0	0	0	0	0	112.2	F52 L93 L97 I101 F130 D131 N135 V136 V137	F52-A133 HydrophobicContact CE1-CB 4.28Å; F52-A133 HydrophobicContact CZ-CB 3.84Å; L93-A133 HydrophobicContact CD1-CB 3.68Å; L93-A133 HydrophobicContact CD2-CB 3.83Å; L93-A133 WeakPolarHBondContact CD2-O 3.41Å; L93-A133 HydrophobicContact CG-CB 4.4Å; L97-A133 HydrophobicContact CD2-CB 3.95Å; L97-A133 HydrophobicContact CG-CB 4.44Å; I101-A133 HydrophobicContact CD1-CB 4.09Å; F130-A133 CarbonylContact O-C 3.5Å; F130-A133 WeakPolarHBondContact O-CA 3.36Å; F130-A133 WeakPolarHBondContact O-CB 3.48Å; F130-A133 PolarHBondContact O-N 3.04Å; D131-A133 PolarHBondContact O-N 3.46Å; A133-N135 VanDerWaalsContact C-N 3.29Å; A133-N135 PolarHBondContact O-N 3.09Å; A133-V136 PolarHBondContact O-N 3.21Å; A133-V137 PolarHBondContact O-N 3.5Å; A133-V137 VanDerWaalsContact O-N 3.1Å
134	Q	95	Very high	91.6	Very high	7 Å²	7	52.6 Å²	52.6	3%	0.033	28%	0.28	C	S	.	.	H	α-helix	trans	-62.1	-39	171.9	-168.2	-171.2	40.1	0	0	110.8	W53 C56 R60 F130 D131 V137 K138	W53-Q134 HydrophobicContact CG-CG 3.94Å; W53-Q134 PolarHBondContact O-NE2 3.24Å; C56-Q134 HydrophobicContact CB-CB 3.99Å; C56-Q134 HydrophobicContact CB-CG 3.97Å; R60-Q134 VanDerWaalsContact CZ-OE1 3.23Å; F130-Q134 PolarHBondContact O-N 2.87Å; D131-Q134 PolarHBondContact O-N 3.1Å; Q134-V137 CarbonylContact O-C 3.53Å; Q134-V137 PolarHBondContact O-N 3.4Å; Q134-K138 WeakPolarHBondContact O-CB 3.35Å; Q134-K138 PolarHBondContact O-N 3.04Å
135	N	95.1	Very high	92.6	Very high	94 Å²	94	51.4 Å²	51.4	50%	0.503	27%	0.269	S	S	.	.	H	α-helix	trans	-64.1	-43.3	176.5	-73	-11	0	0	0	112.2	D131 A133 V137 K138 S139	D131-N135 WeakPolarHBondContact O-CB 3.12Å; D131-N135 VanDerWaalsContact O-CG 3.23Å; D131-N135 PolarHBondContact O-N 3.14Å; A133-N135 VanDerWaalsContact C-N 3.29Å; A133-N135 PolarHBondContact O-N 3.09Å; N135-V137 VanDerWaalsContact C-N 3.31Å; N135-V137 PolarHBondContact O-N 3.2Å; N135-K138 PolarHBondContact O-N 3.46Å; N135-S139 PolarHBondContact O-N 2.94Å; N135-S139 PolarHBondContact O-OG 3.35Å
136	V	95.6	Very high	93.2	Very high	51 Å²	51	52.1 Å²	52.1	31%	0.309	27%	0.271	S	S	.	.	H	α-helix	trans	-59.5	-42.3	173.3	168.8	0	0	0	0	111.5	L93 L97 S132 A133 S139 L140	L93-V136 HydrophobicContact CD2-CB 3.93Å; L93-V136 HydrophobicContact CD2-CG1 3.85Å; L97-V136 HydrophobicContact CD2-CG2 4.34Å; S132-V136 WeakPolarHBondContact O-CG2 3.39Å; S132-V136 PolarHBondContact O-N 2.86Å; A133-V136 PolarHBondContact O-N 3.21Å; V136-S139 PolarHBondContact O-N 3.2Å; V136-L140 PolarHBondContact O-N 3.25Å
137	V	95.5	Very high	93.5	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-71.2	-34.9	177.3	174.1	0	0	0	0	112	L49 F52 V91 L93 A133 Q134 N135 L140 L141	L49-V137 HydrophobicContact CB-CG1 3.98Å; L49-V137 HydrophobicContact CD2-CG1 4.27Å; F52-V137 HydrophobicContact CD1-CB 4.14Å; F52-V137 HydrophobicContact CD1-CG1 4.28Å; F52-V137 HydrophobicContact CD1-CG2 3.75Å; F52-V137 HydrophobicContact CE1-CB 4.31Å; F52-V137 HydrophobicContact CE1-CG2 3.78Å; V91-V137 HydrophobicContact CB-CG2 4.23Å; L93-V137 HydrophobicContact CD2-CG2 4.02Å; A133-V137 PolarHBondContact O-N 3.5Å; A133-V137 VanDerWaalsContact O-N 3.1Å; Q134-V137 CarbonylContact O-C 3.53Å; Q134-V137 PolarHBondContact O-N 3.4Å; N135-V137 VanDerWaalsContact C-N 3.31Å; N135-V137 PolarHBondContact O-N 3.2Å; V137-L140 PolarHBondContact O-N 3.24Å; V137-L141 HydrophobicContact CG1-CD1 4.12Å; V137-L141 HydrophobicContact CG1-CG 4.42Å; V137-L141 VanDerWaalsContact O-CG 3.32Å; V137-L141 WeakPolarHBondContact O-CG 3.47Å; V137-L141 PolarHBondContact O-N 3.11Å
138	K	95	Very high	93.7	Very high	36 Å²	36	47.5 Å²	47.5	16%	0.157	26%	0.255	C	S	.	.	H	α-helix	trans	-59.6	-51.3	170.7	-172.8	-174.4	-169.3	-79.1	0	110.4	L23 D24 Q134 N135 L140 L141 E142	L23-K138 HydrophobicContact CD2-CG 4.04Å; D24-K138 WeakPolarHBondContact OD1-CE 3.34Å; D24-K138 IonicContact OD1-NZ 3.65Å; D24-K138 WeakPolarHBondContact OD2-CE 3.46Å; D24-K138 IonicContact OD2-NZ 3.9Å; D24-K138 PolarHBondContact OD2-NZ 3.45Å; Q134-K138 WeakPolarHBondContact O-CB 3.35Å; Q134-K138 PolarHBondContact O-N 3.04Å; N135-K138 PolarHBondContact O-N 3.46Å; K138-L140 VanDerWaalsContact C-N 3.27Å; K138-L140 PolarHBondContact O-N 3.41Å; K138-L141 WeakPolarHBondContact O-CB 3.43Å; K138-L141 PolarHBondContact O-N 3.32Å; K138-L141 VanDerWaalsContact O-N 3.12Å; K138-E142 IonicContact NZ-OE2 2.82Å; K138-E142 PolarHBondContact NZ-OE2 2.57Å; K138-E142 VanDerWaalsContact O-CB 3.27Å; K138-E142 WeakPolarHBondContact O-CB 3.28Å; K138-E142 PolarHBondContact O-N 3.16Å
139	S	94.9	Very high	93.9	Very high	54 Å²	54	43.9 Å²	43.9	38%	0.378	23%	0.231	S	C	.	.	H	α-helix	trans	-58.7	-38	177.4	-60.2	0	0	0	0	112.4	N135 V136 E142 Q143	N135-S139 PolarHBondContact O-N 2.94Å; N135-S139 PolarHBondContact O-OG 3.35Å; V136-S139 PolarHBondContact O-N 3.2Å; S139-E142 PolarHBondContact O-N 3.02Å; S139-Q143 WeakPolarHBondContact O-CB 3.34Å; S139-Q143 WeakPolarHBondContact O-CG 3.39Å; S139-Q143 PolarHBondContact O-N 3.41Å
140	L	94.5	Very high	93.8	Very high	46 Å²	46	45 Å²	45	24%	0.241	24%	0.236	C	C	.	.	H	α-helix	trans	-67	-42.3	174.6	178.5	62.3	0	0	0	112.8	L49 P92 V136 V137 K138 E142 K144 Y145	L49-L140 HydrophobicContact CD1-CD2 4.08Å; L49-L140 HydrophobicContact CD2-CD2 4.48Å; P92-L140 HydrophobicContact CG-CD2 3.41Å; P92-L140 VanDerWaalsContact CG-CD2 3.41Å; V136-L140 PolarHBondContact O-N 3.25Å; V137-L140 PolarHBondContact O-N 3.24Å; K138-L140 VanDerWaalsContact C-N 3.27Å; K138-L140 PolarHBondContact O-N 3.41Å; L140-E142 VanDerWaalsContact C-N 3.34Å; L140-K144 HydrophobicContact CD1-CB 4.18Å; L140-K144 HydrophobicContact CD1-CD 4.41Å; L140-K144 WeakPolarHBondContact O-CB 3.17Å; L140-K144 PolarHBondContact O-N 3.46Å; L140-K144 VanDerWaalsContact O-N 3.08Å; L140-Y145 HydrophobicContact CD1-CE2 4.31Å; L140-Y145 HydrophobicContact CD2-CE2 4.33Å; L140-Y145 HydrophobicContact CG-CD2 4.46Å; L140-Y145 HydrophobicContact CG-CE2 3.96Å
141	L	94.8	Very high	93.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.264	C	S	.	.	I	π-helix	trans	-60.4	-45.5	173.1	-71.4	166.7	0	0	0	110.6	L23 F36 L40 L49 L50 V137 K138 Y145 Y146	L23-L141 HydrophobicContact CD2-CB 3.72Å; F36-L141 HydrophobicContact CE1-CD2 3.97Å; F36-L141 HydrophobicContact CZ-CD2 3.97Å; L40-L141 HydrophobicContact CD1-CD2 3.88Å; L49-L141 HydrophobicContact CB-CD2 4.03Å; L49-L141 HydrophobicContact CB-CG 4.47Å; L49-L141 HydrophobicContact CD1-CD2 4.23Å; L50-L141 HydrophobicContact CD2-CD1 3.89Å; L50-L141 HydrophobicContact CD2-CD2 4.32Å; V137-L141 HydrophobicContact CG1-CD1 4.12Å; V137-L141 HydrophobicContact CG1-CG 4.42Å; V137-L141 VanDerWaalsContact O-CG 3.32Å; V137-L141 WeakPolarHBondContact O-CG 3.47Å; V137-L141 PolarHBondContact O-N 3.11Å; K138-L141 WeakPolarHBondContact O-CB 3.43Å; K138-L141 PolarHBondContact O-N 3.32Å; K138-L141 VanDerWaalsContact O-N 3.12Å; L141-Y145 HydrophobicContact CD2-CD2 4.14Å; L141-Y145 CarbonylContact O-C 3.6Å; L141-Y145 PolarHBondContact O-N 3.43Å; L141-Y145 VanDerWaalsContact O-N 3.1Å; L141-Y146 VanDerWaalsContact O-CB 3.29Å; L141-Y146 WeakPolarHBondContact O-CB 3.14Å; L141-Y146 PolarHBondContact O-N 3.35Å
142	E	94.6	Very high	93	Very high	81 Å²	81	48.5 Å²	48.5	38%	0.379	26%	0.258	S	S	.	.	I	π-helix	trans	-72.6	-37.9	-174.7	-159.4	169.4	145.9	0	0	113.5	L23 K138 S139 L140 P147	L23-E142 HydrophobicContact CB-CG 4.23Å; L23-E142 HydrophobicContact CD2-CB 3.74Å; L23-E142 HydrophobicContact CD2-CG 4.23Å; K138-E142 IonicContact NZ-OE2 2.82Å; K138-E142 PolarHBondContact NZ-OE2 2.57Å; K138-E142 VanDerWaalsContact O-CB 3.27Å; K138-E142 WeakPolarHBondContact O-CB 3.28Å; K138-E142 PolarHBondContact O-N 3.16Å; S139-E142 PolarHBondContact O-N 3.02Å; L140-E142 VanDerWaalsContact C-N 3.34Å; E142-P147 WeakPolarHBondContact O-CD 3.26Å
143	Q	92.4	Very high	92.5	Very high	157 Å²	157	45.3 Å²	45.3	73%	0.734	24%	0.235	S	C	*	.	I	π-helix	trans	-84.3	-37.3	-178.6	-69.2	172.7	-6.1	0	0	113.3	S139	S139-Q143 WeakPolarHBondContact O-CB 3.34Å; S139-Q143 WeakPolarHBondContact O-CG 3.39Å; S139-Q143 PolarHBondContact O-N 3.41Å
144	K	92	Very high	91.7	Very high	89 Å²	89	49 Å²	49	39%	0.387	27%	0.266	S	S	.	.	I	π-helix	trans	-101.8	-56.6	-174.7	-173.7	-178	168.1	-161.7	0	112.6	L140	L140-K144 HydrophobicContact CD1-CB 4.18Å; L140-K144 HydrophobicContact CD1-CD 4.41Å; L140-K144 WeakPolarHBondContact O-CB 3.17Å; L140-K144 PolarHBondContact O-N 3.46Å; L140-K144 VanDerWaalsContact O-N 3.08Å
145	Y	93.9	Very high	90.5	Very high	22 Å²	22	50.9 Å²	50.9	9%	0.086	28%	0.279	C	S	.	.	I	π-helix	trans	-92.9	-31.1	-163.1	-59.1	-65.8	0	0	0	114.3	L40 H44 A46 L49 L140 L141 E148 F149	L40-Y145 HydrophobicContact CD2-CD1 3.85Å; L40-Y145 HydrophobicContact CD2-CD2 4.19Å; L40-Y145 HydrophobicContact CD2-CG 3.62Å; H44-Y145 HydrophobicContact CB-CD1 4.34Å; H44-Y145 HydrophobicContact CB-CE1 3.85Å; H44-Y145 AromaticContact CD2-CD1 3.62Å; H44-Y145 AromaticContact CD2-CE1 3.81Å; H44-Y145 AromaticContact CE1-CE1 3.89Å; H44-Y145 AromaticContact CG-CD1 3.78Å; H44-Y145 AromaticContact CG-CE1 3.46Å; H44-Y145 VanDerWaalsContact CG-CE1 3.46Å; H44-Y145 AromaticContact ND1-CE1 3.52Å; H44-Y145 AromaticContact NE2-CD1 3.84Å; A46-Y145 HydrophobicContact CB-CE1 4.44Å; L49-Y145 HydrophobicContact CD1-CD2 3.96Å; L49-Y145 HydrophobicContact CD1-CE2 3.37Å; L140-Y145 HydrophobicContact CD1-CE2 4.31Å; L140-Y145 HydrophobicContact CD2-CE2 4.33Å; L140-Y145 HydrophobicContact CG-CD2 4.46Å; L140-Y145 HydrophobicContact CG-CE2 3.96Å; L141-Y145 HydrophobicContact CD2-CD2 4.14Å; L141-Y145 CarbonylContact O-C 3.6Å; L141-Y145 PolarHBondContact O-N 3.43Å; L141-Y145 VanDerWaalsContact O-N 3.1Å; Y145-E148 PolarHBondContact O-N 3.38Å; Y145-F149 WeakPolarHBondContact O-CB 3.29Å; Y145-F149 PolarHBondContact O-N 2.77Å
146	Y	93.1	Very high	88.8	Confident	22 Å²	22	50.7 Å²	50.7	9%	0.086	28%	0.283	C	S	.	.	H	α-helix	trans	-64.8	-43.9	177.7	176.1	-104.9	0	0	0	112.1	W19 G20 N22 L23 L26 L141 E148 F149 L150	W19-Y146 WeakPolarHBondContact O-CE2 3.16Å; W19-Y146 PolarHBondContact O-OH 3.47Å; G20-Y146 PolarHBondContact O-OH 3.38Å; N22-Y146 VanDerWaalsContact C-OH 3.25Å; N22-Y146 WeakPolarHBondContact CA-OH 3.2Å; N22-Y146 PolarHBondContact N-OH 3.01Å; N22-Y146 VanDerWaalsContact N-OH 3.12Å; L23-Y146 HydrophobicContact CB-CD2 4.11Å; L23-Y146 HydrophobicContact CB-CE2 4.35Å; L23-Y146 HydrophobicContact CB-CG 4.27Å; L23-Y146 HydrophobicContact CD1-CD2 3.96Å; L23-Y146 HydrophobicContact CD1-CG 4.41Å; L26-Y146 HydrophobicContact CB-CE2 4.45Å; L26-Y146 HydrophobicContact CD2-CD2 3.76Å; L26-Y146 HydrophobicContact CD2-CE2 3.96Å; L141-Y146 VanDerWaalsContact O-CB 3.29Å; L141-Y146 WeakPolarHBondContact O-CB 3.14Å; L141-Y146 PolarHBondContact O-N 3.35Å; Y146-E148 VanDerWaalsContact C-N 3.34Å; Y146-E148 PolarHBondContact O-N 2.67Å; Y146-F149 WeakPolarHBondContact O-CB 3.22Å; Y146-F149 PolarHBondContact O-N 2.88Å; Y146-F149 VanDerWaalsContact O-N 3.11Å; Y146-L150 HydrophobicContact CD1-CD1 4.33Å; Y146-L150 HydrophobicContact CE1-CD1 3.66Å; Y146-L150 HydrophobicContact CE1-CG 4.16Å; Y146-L150 HydrophobicContact CE2-CD1 4.41Å; Y146-L150 HydrophobicContact CE2-CD2 3.96Å; Y146-L150 HydrophobicContact CE2-CG 4.17Å; Y146-L150 WeakPolarHBondContact O-CG 3.37Å; Y146-L150 PolarHBondContact O-N 3.49Å
147	P	91.8	Very high	87	Confident	60 Å²	60	51.2 Å²	51.2	39%	0.39	29%	0.289	S	S	.	.	H	α-helix	trans	-64.9	-36.4	173.5	-21.5	34.7	0	0	0	112.9	E142 F149 T151	E142-P147 WeakPolarHBondContact O-CD 3.26Å; P147-F149 VanDerWaalsContact C-N 3.29Å; P147-F149 PolarHBondContact O-N 3.41Å; P147-T151 WeakPolarHBondContact O-CB 3.33Å; P147-T151 WeakPolarHBondContact O-CG2 3.48Å; P147-T151 PolarHBondContact O-N 3.4Å; P147-T151 PolarHBondContact O-OG1 3.41Å
148	E	90.2	Very high	85.2	Confident	62 Å²	62	53.1 Å²	53.1	29%	0.29	30%	0.299	S	S	.	.	H	α-helix	trans	-68.6	-26	173	-73.3	-166.2	-123.5	0	0	113.3	F39 H44 Y145 Y146 T151 F152	F39-E148 WeakPolarHBondContact CE2-O 3.44Å; F39-E148 VanDerWaalsContact CZ-C 3.42Å; F39-E148 HydrophobicContact CZ-CB 3.77Å; F39-E148 WeakPolarHBondContact CZ-O 3.43Å; H44-E148 IonicContact CD2-OE2 2.97Å; H44-E148 IonicContact CE1-OE1 2.74Å; H44-E148 PolarHBondContact CE1-OE1 2.9Å; H44-E148 VanDerWaalsContact CE1-OE1 3.22Å; H44-E148 IonicContact CE1-OE2 3.48Å; H44-E148 PolarHBondContact CE1-OE2 3.48Å; H44-E148 VanDerWaalsContact CE1-OE2 3.28Å; H44-E148 VanDerWaalsContact NE2-CD 3.26Å; H44-E148 IonicContact NE2-OE1 3.6Å; H44-E148 PolarHBondContact NE2-OE1 2.94Å; H44-E148 IonicContact NE2-OE2 3.54Å; H44-E148 PolarHBondContact NE2-OE2 2.88Å; Y145-E148 PolarHBondContact O-N 3.38Å; Y146-E148 VanDerWaalsContact C-N 3.34Å; Y146-E148 PolarHBondContact O-N 2.67Å; E148-T151 WeakPolarHBondContact CA-OG1 2.94Å; E148-T151 PolarHBondContact O-OG1 2.84Å; E148-F152 VanDerWaalsContact O-CB 3.23Å; E148-F152 WeakPolarHBondContact O-CB 3.21Å; E148-F152 PolarHBondContact O-N 3.33Å; E148-F152 VanDerWaalsContact O-N 3.14Å
149	F	91.9	Very high	83.2	Confident	1 Å²	1	52.8 Å²	52.8	0%	0.004	30%	0.299	C	S	.	.	H	α-helix	trans	-78	-45.4	173.3	173.7	-105	0	0	0	111.1	W19 L26 F35 F36 F39 Y145 Y146 P147 T151 F152 I153	W19-F149 HydrophobicContact CE3-CE1 4.43Å; W19-F149 HydrophobicContact CE3-CZ 4.14Å; L26-F149 HydrophobicContact CD1-CE1 3.67Å; L26-F149 HydrophobicContact CD1-CZ 4.03Å; L26-F149 HydrophobicContact CD2-CD1 3.67Å; L26-F149 HydrophobicContact CD2-CE1 3.58Å; L26-F149 HydrophobicContact CD2-CZ 4.43Å; L26-F149 HydrophobicContact CG-CE1 4.3Å; F35-F149 HydrophobicContact CB-CE2 4.42Å; F35-F149 HydrophobicContact CB-CZ 4.48Å; F36-F149 HydrophobicContact CB-CD2 4.42Å; F36-F149 HydrophobicContact CB-CE2 4.16Å; F36-F149 HydrophobicContact CB-CZ 4.29Å; F36-F149 HydrophobicContact CD2-CB 3.79Å; F36-F149 HydrophobicContact CD2-CD1 4.17Å; F36-F149 AromaticContact CD2-CD2 3.72Å; F36-F149 HydrophobicContact CD2-CD2 3.72Å; F36-F149 HydrophobicContact CD2-CE2 4.31Å; F36-F149 AromaticContact CD2-CG 3.62Å; F36-F149 HydrophobicContact CD2-CG 3.62Å; F36-F149 HydrophobicContact CE2-CB 3.78Å; F36-F149 HydrophobicContact CE2-CG 4.12Å; F39-F149 HydrophobicContact CB-CD2 3.93Å; F39-F149 HydrophobicContact CB-CE2 4.36Å; F39-F149 HydrophobicContact CD1-CB 3.99Å; F39-F149 AromaticContact CD1-CD2 3.96Å; F39-F149 HydrophobicContact CD1-CD2 3.96Å; F39-F149 HydrophobicContact CD1-CG 4.43Å; F39-F149 HydrophobicContact CD2-CD2 4.23Å; F39-F149 HydrophobicContact CE1-CB 3.78Å; F39-F149 HydrophobicContact CE2-CB 4.47Å; F39-F149 HydrophobicContact CG-CB 4.47Å; F39-F149 AromaticContact CG-CD2 3.78Å; F39-F149 HydrophobicContact CG-CD2 3.78Å; F39-F149 HydrophobicContact CZ-CB 4.04Å; Y145-F149 WeakPolarHBondContact O-CB 3.29Å; Y145-F149 PolarHBondContact O-N 2.77Å; Y146-F149 WeakPolarHBondContact O-CB 3.22Å; Y146-F149 PolarHBondContact O-N 2.88Å; Y146-F149 VanDerWaalsContact O-N 3.11Å; P147-F149 VanDerWaalsContact C-N 3.29Å; P147-F149 PolarHBondContact O-N 3.41Å; F149-T151 VanDerWaalsContact C-N 3.35Å; F149-T151 PolarHBondContact O-N 2.89Å; F149-F152 CarbonylContact O-C 2.87Å; F149-F152 WeakPolarHBondContact O-CA 3.48Å; F149-F152 WeakPolarHBondContact O-CB 3.2Å; F149-F152 PolarHBondContact O-N 3.23Å; F149-I153 HydrophobicContact CD1-CD1 4.49Å; F149-I153 HydrophobicContact CD2-CG2 4.24Å; F149-I153 HydrophobicContact CE1-CD1 4Å; F149-I153 HydrophobicContact CE1-CG2 4.28Å; F149-I153 HydrophobicContact CE2-CG2 3.77Å; F149-I153 HydrophobicContact CZ-CD1 4.41Å; F149-I153 HydrophobicContact CZ-CG2 3.81Å; F149-I153 PolarHBondContact O-N 2.7Å
150	L	90.6	Very high	80.9	Confident	47 Å²	47	53.2 Å²	53.2	25%	0.246	30%	0.296	C	S	.	.	H	α-helix	trans	-59.3	-45.1	174.7	-66.6	-167	0	0	0	111.6	Y146 F152 I153 A154	Y146-L150 HydrophobicContact CD1-CD1 4.33Å; Y146-L150 HydrophobicContact CE1-CD1 3.66Å; Y146-L150 HydrophobicContact CE1-CG 4.16Å; Y146-L150 HydrophobicContact CE2-CD1 4.41Å; Y146-L150 HydrophobicContact CE2-CD2 3.96Å; Y146-L150 HydrophobicContact CE2-CG 4.17Å; Y146-L150 WeakPolarHBondContact O-CG 3.37Å; Y146-L150 PolarHBondContact O-N 3.49Å; L150-F152 VanDerWaalsContact C-N 3.26Å; L150-F152 PolarHBondContact O-N 3.18Å; L150-I153 HydrophobicContact CD2-CD1 4.11Å; L150-I153 WeakPolarHBondContact O-CG1 3.38Å; L150-I153 PolarHBondContact O-N 2.98Å; L150-A154 WeakPolarHBondContact O-CB 3.47Å; L150-A154 PolarHBondContact O-N 3Å
151	T	86.8	Confident	78.5	Confident	97 Å²	97	52 Å²	52	60%	0.595	29%	0.291	S	S	*	.	H	α-helix	trans	-70	-21	174	51.6	0	0	0	0	113.6	P147 E148 F149	P147-T151 WeakPolarHBondContact O-CB 3.33Å; P147-T151 WeakPolarHBondContact O-CG2 3.48Å; P147-T151 PolarHBondContact O-N 3.4Å; P147-T151 PolarHBondContact O-OG1 3.41Å; E148-T151 WeakPolarHBondContact CA-OG1 2.94Å; E148-T151 PolarHBondContact O-OG1 2.84Å; F149-T151 VanDerWaalsContact C-N 3.35Å; F149-T151 PolarHBondContact O-N 2.89Å
152	F	85.3	Confident	76.4	Confident	16 Å²	16	52.9 Å²	52.9	7%	0.07	30%	0.296	C	S	.	.	H	α-helix	trans	-72.7	-55.9	170.2	-177.7	-118.9	0	0	0	110.6	F39 E148 F149 L150 A154 C155 N158 I162	F39-F152 HydrophobicContact CB-CE1 4.5Å; F39-F152 HydrophobicContact CD2-CB 4.01Å; F39-F152 AromaticContact CD2-CD1 3.35Å; F39-F152 HydrophobicContact CD2-CD1 3.35Å; F39-F152 AromaticContact CD2-CE1 3.83Å; F39-F152 HydrophobicContact CD2-CE1 3.83Å; F39-F152 AromaticContact CD2-CG 3.73Å; F39-F152 HydrophobicContact CD2-CG 3.73Å; F39-F152 HydrophobicContact CE2-CB 3.66Å; F39-F152 AromaticContact CE2-CD1 3.93Å; F39-F152 HydrophobicContact CE2-CD1 3.93Å; F39-F152 AromaticContact CE2-CG 3.82Å; F39-F152 HydrophobicContact CE2-CG 3.82Å; F39-F152 HydrophobicContact CG-CD1 4.3Å; E148-F152 VanDerWaalsContact O-CB 3.23Å; E148-F152 WeakPolarHBondContact O-CB 3.21Å; E148-F152 PolarHBondContact O-N 3.33Å; E148-F152 VanDerWaalsContact O-N 3.14Å; F149-F152 CarbonylContact O-C 2.87Å; F149-F152 WeakPolarHBondContact O-CA 3.48Å; F149-F152 WeakPolarHBondContact O-CB 3.2Å; F149-F152 PolarHBondContact O-N 3.23Å; L150-F152 VanDerWaalsContact C-N 3.26Å; L150-F152 PolarHBondContact O-N 3.18Å; F152-A154 PolarHBondContact O-N 3.43Å; F152-C155 PolarHBondContact O-N 2.92Å; F152-N158 HydrophobicContact CD2-CB 3.77Å; F152-N158 VanDerWaalsContact CD2-CG 3.46Å; F152-N158 VanDerWaalsContact CD2-ND2 3.27Å; F152-N158 WeakPolarHBondContact CD2-ND2 3.39Å; F152-N158 HydrophobicContact CE2-CB 3.74Å; F152-N158 HydrophobicContact CG-CB 4.34Å; F152-N158 HydrophobicContact CZ-CB 4.31Å; F152-N158 WeakPolarHBondContact O-CB 3.08Å; F152-N158 PolarHBondContact O-ND2 3.06Å; F152-I162 HydrophobicContact CD1-CD1 3.76Å; F152-I162 HydrophobicContact CD1-CG1 4.46Å; F152-I162 HydrophobicContact CE1-CD1 3.37Å; F152-I162 HydrophobicContact CE1-CG1 3.59Å; F152-I162 HydrophobicContact CZ-CD1 4.02Å; F152-I162 HydrophobicContact CZ-CG1 3.93Å
153	I	84	Confident	74.1	Confident	8 Å²	8	50.8 Å²	50.8	4%	0.041	29%	0.289	C	S	.	.	H	α-helix	trans	-66.5	-32.2	-179.3	67.6	178.4	0	0	0	113.1	W19 F149 L150 C155 L159 I162	W19-I153 HydrophobicContact CE3-CD1 4.25Å; F149-I153 HydrophobicContact CD1-CD1 4.49Å; F149-I153 HydrophobicContact CD2-CG2 4.24Å; F149-I153 HydrophobicContact CE1-CD1 4Å; F149-I153 HydrophobicContact CE1-CG2 4.28Å; F149-I153 HydrophobicContact CE2-CG2 3.77Å; F149-I153 HydrophobicContact CZ-CD1 4.41Å; F149-I153 HydrophobicContact CZ-CG2 3.81Å; F149-I153 PolarHBondContact O-N 2.7Å; L150-I153 HydrophobicContact CD2-CD1 4.11Å; L150-I153 WeakPolarHBondContact O-CG1 3.38Å; L150-I153 PolarHBondContact O-N 2.98Å; I153-C155 PolarHBondContact O-N 3.11Å; I153-C155 VanDerWaalsContact O-N 3.07Å; I153-L159 WeakPolarHBondContact O-CD1 3.43Å; I153-L159 WeakPolarHBondContact O-CG 3.25Å; I153-I162 HydrophobicContact CG2-CD1 4.15Å
154	A	79.9	Confident	71.8	Confident	79 Å²	79	46.8 Å²	46.8	65%	0.653	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-6.7	178.7	0	0	0	0	0	114.5	L150 F152	L150-A154 WeakPolarHBondContact O-CB 3.47Å; L150-A154 PolarHBondContact O-N 3Å; F152-A154 PolarHBondContact O-N 3.43Å
155	C	67.9	Low	69.3	Low	45 Å²	45	48 Å²	48	30%	0.304	29%	0.289	S	S	.	.	S	Bend	trans	-97	118	172.8	-172.7	0	0	0	0	110.1	F152 I153 S157 N158 L159	F152-C155 PolarHBondContact O-N 2.92Å; I153-C155 PolarHBondContact O-N 3.11Å; I153-C155 VanDerWaalsContact O-N 3.07Å; C155-S157 PolarHBondContact O-N 2.88Å; C155-N158 HydrophobicContact CB-CB 4.12Å; C155-N158 VanDerWaalsContact CB-ND2 3.34Å; C155-N158 WeakPolarHBondContact CB-ND2 3.3Å; C155-N158 WeakPolarHBondContact O-CA 3.27Å; C155-N158 WeakPolarHBondContact O-CB 3.34Å; C155-N158 PolarHBondContact O-N 3.35Å; C155-L159 PolarHBondContact O-N 3.37Å
156	P	59.6	Low	66.7	Low	90 Å²	90	48.4 Å²	48.4	58%	0.584	30%	0.3	S	S	*	.	H	α-helix	trans	-56.3	-36.6	179.7	-27.6	35.9	0	0	0	113.6	N158 L159 L160	P156-N158 PolarHBondContact O-N 2.98Å; P156-L159 PolarHBondContact O-N 2.89Å; P156-L160 WeakPolarHBondContact O-CG 3.31Å; P156-L160 PolarHBondContact O-N 3.07Å
157	S	58.1	Low	63.9	Low	62 Å²	62	52 Å²	52	43%	0.434	33%	0.326	S	S	.	.	H	α-helix	trans	-62.1	-24.1	175.3	-44.6	0	0	0	0	113.7	C155	C155-S157 PolarHBondContact O-N 2.88Å
158	N	57.7	Low	61.3	Low	41 Å²	41	56 Å²	56	22%	0.219	34%	0.343	C	S	.	.	H	α-helix	trans	-86.6	-39.1	175.1	-67.9	-23.1	0	0	0	111.4	F152 C155 P156 L160 C161 I162	F152-N158 HydrophobicContact CD2-CB 3.77Å; F152-N158 VanDerWaalsContact CD2-CG 3.46Å; F152-N158 VanDerWaalsContact CD2-ND2 3.27Å; F152-N158 WeakPolarHBondContact CD2-ND2 3.39Å; F152-N158 HydrophobicContact CE2-CB 3.74Å; F152-N158 HydrophobicContact CG-CB 4.34Å; F152-N158 HydrophobicContact CZ-CB 4.31Å; F152-N158 WeakPolarHBondContact O-CB 3.08Å; F152-N158 PolarHBondContact O-ND2 3.06Å; C155-N158 HydrophobicContact CB-CB 4.12Å; C155-N158 VanDerWaalsContact CB-ND2 3.34Å; C155-N158 WeakPolarHBondContact CB-ND2 3.3Å; C155-N158 WeakPolarHBondContact O-CA 3.27Å; C155-N158 WeakPolarHBondContact O-CB 3.34Å; C155-N158 PolarHBondContact O-N 3.35Å; P156-N158 PolarHBondContact O-N 2.98Å; N158-L160 PolarHBondContact O-N 3.33Å; N158-C161 CarbonylContact O-C 3.59Å; N158-C161 WeakPolarHBondContact O-CA 3.03Å; N158-C161 PolarHBondContact O-N 2.88Å; N158-C161 PolarHBondContact O-SG 2.74Å; N158-C161 VanDerWaalsContact O-SG 3.37Å; N158-I162 WeakPolarHBondContact O-CD1 3.37Å; N158-I162 WeakPolarHBondContact O-CG1 3.26Å; N158-I162 PolarHBondContact O-N 3.42Å
159	L	52.6	Low	58.7	Low	30 Å²	30	55 Å²	55	16%	0.157	34%	0.343	C	S	.	.	H	α-helix	trans	-56.7	-40.8	171.5	-77.9	160	0	0	0	111.9	Q16 I153 C155 P156 C161 I162 T163	Q16-L159 HydrophobicContact CG-CD2 4.41Å; I153-L159 WeakPolarHBondContact O-CD1 3.43Å; I153-L159 WeakPolarHBondContact O-CG 3.25Å; C155-L159 PolarHBondContact O-N 3.37Å; P156-L159 PolarHBondContact O-N 2.89Å; L159-C161 PolarHBondContact O-N 2.93Å; L159-I162 PolarHBondContact O-N 3.19Å; L159-T163 PolarHBondContact O-N 2.88Å; L159-T163 VanDerWaalsContact O-N 3.08Å; L159-T163 PolarHBondContact O-OG1 3.3Å
160	L	47.7	Very low	56.5	Low	62 Å²	62	61.1 Å²	61.1	33%	0.325	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-7.4	171.8	-67.8	166.2	0	0	0	114.3	P156 N158	P156-L160 WeakPolarHBondContact O-CG 3.31Å; P156-L160 PolarHBondContact O-N 3.07Å; N158-L160 PolarHBondContact O-N 3.33Å
161	C	44.8	Very low	54.6	Low	20 Å²	20	62.1 Å²	62.1	14%	0.135	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	33.1	164.5	72.4	0	0	0	0	112.5	N158 L159 Y178	N158-C161 CarbonylContact O-C 3.59Å; N158-C161 WeakPolarHBondContact O-CA 3.03Å; N158-C161 PolarHBondContact O-N 2.88Å; N158-C161 PolarHBondContact O-SG 2.74Å; N158-C161 VanDerWaalsContact O-SG 3.37Å; L159-C161 PolarHBondContact O-N 2.93Å; C161-Y178 HydrophobicContact CB-CD1 3.84Å; C161-Y178 HydrophobicContact CB-CD2 3.85Å; C161-Y178 HydrophobicContact CB-CE1 4.04Å; C161-Y178 HydrophobicContact CB-CE2 4.08Å; C161-Y178 HydrophobicContact CB-CG 3.74Å; C161-Y178 WeakPolarHBondContact O-CD2 3.15Å; C161-Y178 WeakPolarHBondContact O-CE2 3.18Å
162	I	49.2	Very low	52.8	Low	19 Å²	19	66.5 Å²	66.5	10%	0.097	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122	-46.6	168.3	-71.8	164.5	0	0	0	109	F35 F152 I153 N158 L159 Y178	F35-I162 HydrophobicContact CD1-CG2 3.26Å; F35-I162 HydrophobicContact CE1-CG2 3.34Å; F35-I162 HydrophobicContact CG-CG2 4.22Å; F35-I162 HydrophobicContact CZ-CG2 4.35Å; F152-I162 HydrophobicContact CD1-CD1 3.76Å; F152-I162 HydrophobicContact CD1-CG1 4.46Å; F152-I162 HydrophobicContact CE1-CD1 3.37Å; F152-I162 HydrophobicContact CE1-CG1 3.59Å; F152-I162 HydrophobicContact CZ-CD1 4.02Å; F152-I162 HydrophobicContact CZ-CG1 3.93Å; I153-I162 HydrophobicContact CG2-CD1 4.15Å; N158-I162 WeakPolarHBondContact O-CD1 3.37Å; N158-I162 WeakPolarHBondContact O-CG1 3.26Å; N158-I162 PolarHBondContact O-N 3.42Å; L159-I162 PolarHBondContact O-N 3.19Å; I162-Y178 VanDerWaalsContact C-OH 3.24Å; I162-Y178 PolarHBondContact N-OH 2.99Å; I162-Y178 PolarHBondContact O-OH 2.9Å
163	T	47.7	Very low	51.6	Low	37 Å²	37	71.8 Å²	71.8	23%	0.227	42%	0.42	C	S	.	.	S	Bend	trans	-82.2	145.7	170.4	61	0	0	0	0	111.5	V11 L159 N165 Y178	V11-T163 HydrophobicContact CB-CG2 4Å; V11-T163 HydrophobicContact CG2-CG2 3.59Å; L159-T163 PolarHBondContact O-N 2.88Å; L159-T163 VanDerWaalsContact O-N 3.08Å; L159-T163 PolarHBondContact O-OG1 3.3Å; T163-N165 PolarHBondContact O-N 2.74Å; T163-Y178 PolarHBondContact O-OH 3.32Å
164	S	43.5	Very low	50.1	Low	73 Å²	73	74.2 Å²	74.2	51%	0.51	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-23.5	-170.8	39.6	0	0	0	0	115.2
165	N	38.8	Very low	48.5	Very low	116 Å²	116	76.1 Å²	76.1	62%	0.62	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	26	-157.9	-64.9	-23.5	0	0	0	114	D9 T163	D9-N165 PolarHBondContact OD2-ND2 3.48Å; T163-N165 PolarHBondContact O-N 2.74Å
166	G	40	Very low	47.9	Very low	30 Å²	30	77.3 Å²	77.3	31%	0.309	43%	0.429	S	S	.	.			trans	-105.5	134.1	-178.5	0	0	0	0	0	114.9
167	P	34	Very low	47.8	Very low	98 Å²	98	78.8 Å²	78.8	64%	0.636	43%	0.426	S	S	*	.			trans	-81.4	168.8	171.7	34.8	-35.5	0	0	0	112.4
168	L	37	Very low	47.5	Very low	142 Å²	142	76.9 Å²	76.9	74%	0.743	41%	0.41	S	S	*	.			trans	74.3	68.2	170.1	-51.4	176.5	0	0	0	117.8
169	C	36.6	Very low	47.1	Very low	43 Å²	43	77.7 Å²	77.7	29%	0.291	41%	0.413	S	S	.	.			trans	-106.2	117.6	138	-174.7	0	0	0	0	108.9	D171	C169-D171 PolarHBondContact O-N 2.81Å
170	S	44.5	Very low	47.3	Very low	129 Å²	129	83 Å²	83	90%	0.902	44%	0.438	S	S	*	.	S	Bend	trans	-68.9	-19.8	-175.9	-50.9	0	0	0	0	113.9	R172	S170-R172 PolarHBondContact O-N 2.64Å
171	D	51	Low	47.6	Very low	68 Å²	68	82.8 Å²	82.8	36%	0.364	43%	0.434	S	S	.	.			trans	-84.7	107.5	172.9	174.7	31.1	0	0	0	111.4	C169 K173 T174 R175	C169-D171 PolarHBondContact O-N 2.81Å; D171-K173 PolarHBondContact O-N 2.84Å; D171-K173 WeakPolarHBondContact OD1-CB 3.37Å; D171-K173 PolarHBondContact OD1-N 2.82Å; D171-T174 PolarHBondContact O-N 3.04Å; D171-T174 VanDerWaalsContact OD2-CB 3.24Å; D171-T174 WeakPolarHBondContact OD2-CB 3.21Å; D171-T174 PolarHBondContact OD2-N 2.83Å; D171-T174 PolarHBondContact OD2-OG1 2.9Å; D171-R175 WeakPolarHBondContact O-CB 3.33Å; D171-R175 PolarHBondContact O-N 2.88Å
172	R	49.5	Very low	47.7	Very low	189 Å²	189	83.5 Å²	83.5	71%	0.713	44%	0.436	S	S	*	.	H	α-helix	trans	-56.7	-27.9	174.1	-168	178.3	-176.4	-167.8	2.2	112.9	S170 N176	S170-R172 PolarHBondContact O-N 2.64Å; R172-N176 WeakPolarHBondContact O-CB 3.45Å; R172-N176 PolarHBondContact O-N 2.63Å; R172-N176 PolarHBondContact O-OD1 2.87Å
173	K	59.6	Low	47.8	Very low	126 Å²	126	89.4 Å²	89.4	55%	0.548	46%	0.458	S	S	.	.	H	α-helix	trans	-72.2	-51.8	177.3	-64.9	-173	175	-170.5	0	111.3	D171 R175 N176 K177 N631	D171-K173 PolarHBondContact O-N 2.84Å; D171-K173 WeakPolarHBondContact OD1-CB 3.37Å; D171-K173 PolarHBondContact OD1-N 2.82Å; K173-R175 PolarHBondContact O-N 3.36Å; K173-N176 PolarHBondContact O-N 2.87Å; K173-K177 WeakPolarHBondContact O-CB 3.25Å; K173-K177 PolarHBondContact O-N 2.96Å; K173-N631 PolarHBondContact NZ-OD1 2.98Å
174	T	52	Low	47.9	Very low	59 Å²	59	90.2 Å²	90.2	36%	0.362	47%	0.466	S	S	.	.	H	α-helix	trans	-58.6	-46	175	-61.6	0	0	0	0	111	D171 N176 K177 Y178	D171-T174 PolarHBondContact O-N 3.04Å; D171-T174 VanDerWaalsContact OD2-CB 3.24Å; D171-T174 WeakPolarHBondContact OD2-CB 3.21Å; D171-T174 PolarHBondContact OD2-N 2.83Å; D171-T174 PolarHBondContact OD2-OG1 2.9Å; T174-N176 PolarHBondContact O-N 3.39Å; T174-K177 PolarHBondContact O-N 2.79Å; T174-Y178 WeakPolarHBondContact O-CB 3.43Å; T174-Y178 PolarHBondContact O-N 2.87Å
175	R	47.6	Very low	48	Very low	119 Å²	119	91.8 Å²	91.8	45%	0.449	47%	0.468	S	S	.	.	H	α-helix	trans	-58.8	-45.3	174.6	-167.1	-152	72.5	125.6	6.7	112.6	D171 K173 Y178 L179	D171-R175 WeakPolarHBondContact O-CB 3.33Å; D171-R175 PolarHBondContact O-N 2.88Å; K173-R175 PolarHBondContact O-N 3.36Å; R175-Y178 PolarHBondContact O-N 2.87Å; R175-L179 HydrophobicContact CG-CD1 4.26Å; R175-L179 VanDerWaalsContact CZ-CD1 3.49Å; R175-L179 WeakPolarHBondContact O-CG 3.48Å; R175-L179 PolarHBondContact O-N 3.15Å
176	N	55.7	Low	48.1	Very low	70 Å²	70	94.8 Å²	94.8	37%	0.374	47%	0.472	S	S	.	.	H	α-helix	trans	-66.4	-40.5	178.2	-77.7	9.8	0	0	0	111.9	R172 K173 T174 Y178 L179 E180	R172-N176 WeakPolarHBondContact O-CB 3.45Å; R172-N176 PolarHBondContact O-N 2.63Å; R172-N176 PolarHBondContact O-OD1 2.87Å; K173-N176 PolarHBondContact O-N 2.87Å; T174-N176 PolarHBondContact O-N 3.39Å; N176-Y178 VanDerWaalsContact C-N 3.31Å; N176-Y178 PolarHBondContact O-N 3.38Å; N176-L179 PolarHBondContact O-N 3.29Å; N176-E180 WeakPolarHBondContact O-CB 3.35Å; N176-E180 PolarHBondContact O-N 3.47Å
177	K	57	Low	48.4	Very low	122 Å²	122	100 Å²	100	53%	0.53	49%	0.486	S	S	.	.	H	α-helix	trans	-65.4	-35.2	176.2	-165.9	-177.6	-178.7	-165.9	0	111.8	K173 T174 F181	K173-K177 WeakPolarHBondContact O-CB 3.25Å; K173-K177 PolarHBondContact O-N 2.96Å; T174-K177 PolarHBondContact O-N 2.79Å; K177-F181 VanDerWaalsContact O-CB 3.24Å; K177-F181 WeakPolarHBondContact O-CB 3.42Å; K177-F181 PolarHBondContact O-N 3.08Å
178	Y	50.4	Low	48.6	Very low	22 Å²	22	98.1 Å²	98.1	9%	0.086	47%	0.47	C	S	.	.	H	α-helix	trans	-69.9	-40.9	173.3	179.3	-117.3	0	0	0	112.8	C161 I162 T163 T174 R175 N176 F181 L182	C161-Y178 HydrophobicContact CB-CD1 3.84Å; C161-Y178 HydrophobicContact CB-CD2 3.85Å; C161-Y178 HydrophobicContact CB-CE1 4.04Å; C161-Y178 HydrophobicContact CB-CE2 4.08Å; C161-Y178 HydrophobicContact CB-CG 3.74Å; C161-Y178 WeakPolarHBondContact O-CD2 3.15Å; C161-Y178 WeakPolarHBondContact O-CE2 3.18Å; I162-Y178 VanDerWaalsContact C-OH 3.24Å; I162-Y178 PolarHBondContact N-OH 2.99Å; I162-Y178 PolarHBondContact O-OH 2.9Å; T163-Y178 PolarHBondContact O-OH 3.32Å; T174-Y178 WeakPolarHBondContact O-CB 3.43Å; T174-Y178 PolarHBondContact O-N 2.87Å; R175-Y178 PolarHBondContact O-N 2.87Å; N176-Y178 VanDerWaalsContact C-N 3.31Å; N176-Y178 PolarHBondContact O-N 3.38Å; Y178-F181 AromaticContact CD2-CD1 3.61Å; Y178-F181 HydrophobicContact CD2-CD1 3.61Å; Y178-F181 HydrophobicContact CD2-CE1 4.06Å; Y178-F181 AromaticContact CE2-CD1 3.77Å; Y178-F181 HydrophobicContact CE2-CD1 3.77Å; Y178-F181 AromaticContact CE2-CE1 3.87Å; Y178-F181 HydrophobicContact CE2-CE1 3.87Å; Y178-F181 WeakPolarHBondContact O-CB 3.4Å; Y178-F181 PolarHBondContact O-N 3.17Å; Y178-L182 HydrophobicContact CD1-CD1 4.25Å; Y178-L182 HydrophobicContact CD2-CG 4.44Å; Y178-L182 HydrophobicContact CE1-CD1 3.53Å; Y178-L182 HydrophobicContact CE1-CG 4.04Å; Y178-L182 HydrophobicContact CE2-CD1 4.27Å; Y178-L182 HydrophobicContact CE2-CD2 3.98Å; Y178-L182 HydrophobicContact CE2-CG 3.9Å; Y178-L182 PolarHBondContact O-N 3.26Å
179	L	50.2	Low	48.6	Very low	57 Å²	57	96 Å²	96	30%	0.298	46%	0.456	S	S	.	.	H	α-helix	trans	-66.3	-41	173.6	-73.5	166.1	0	0	0	111.7	R175 N176 F181 L182 Y183	R175-L179 HydrophobicContact CG-CD1 4.26Å; R175-L179 VanDerWaalsContact CZ-CD1 3.49Å; R175-L179 WeakPolarHBondContact O-CG 3.48Å; R175-L179 PolarHBondContact O-N 3.15Å; N176-L179 PolarHBondContact O-N 3.29Å; L179-F181 PolarHBondContact O-N 3.49Å; L179-L182 PolarHBondContact O-N 3.37Å; L179-Y183 HydrophobicContact CD2-CD2 4.35Å; L179-Y183 HydrophobicContact CD2-CE2 4Å; L179-Y183 WeakPolarHBondContact O-CB 3.36Å; L179-Y183 WeakPolarHBondContact O-CD2 3.39Å; L179-Y183 PolarHBondContact O-N 3.42Å
180	E	56.8	Low	48.6	Very low	143 Å²	143	97.2 Å²	97.2	67%	0.668	47%	0.466	S	S	*	.	H	α-helix	trans	-61.6	-35.3	173.4	-173.4	163.3	-136.2	0	0	111.7	N176 S184	N176-E180 WeakPolarHBondContact O-CB 3.35Å; N176-E180 PolarHBondContact O-N 3.47Å; E180-S184 WeakPolarHBondContact O-CB 3.42Å; E180-S184 PolarHBondContact O-N 3.23Å; E180-S184 PolarHBondContact O-OG 3.22Å
181	F	52.9	Low	48.3	Very low	57 Å²	57	99.2 Å²	99.2	25%	0.25	45%	0.454	C	S	.	.	H	α-helix	trans	-67.6	-47.6	172.2	165	-102.5	0	0	0	113.1	K38 Y42 K177 Y178 L179 S184	K38-F181 HydrophobicContact CD-CZ 4.44Å; K38-F181 HydrophobicContact CG-CE1 4.38Å; K38-F181 HydrophobicContact CG-CZ 3.71Å; Y42-F181 AromaticContact CD2-CD2 3.93Å; Y42-F181 HydrophobicContact CD2-CD2 3.93Å; Y42-F181 AromaticContact CD2-CE2 3.87Å; Y42-F181 HydrophobicContact CD2-CE2 3.87Å; Y42-F181 HydrophobicContact CD2-CG 4.49Å; Y42-F181 HydrophobicContact CD2-CZ 4.38Å; Y42-F181 HydrophobicContact CG-CE2 4.21Å; Y42-F181 HydrophobicContact CG-CZ 4.41Å; K177-F181 VanDerWaalsContact O-CB 3.24Å; K177-F181 WeakPolarHBondContact O-CB 3.42Å; K177-F181 PolarHBondContact O-N 3.08Å; Y178-F181 AromaticContact CD2-CD1 3.61Å; Y178-F181 HydrophobicContact CD2-CD1 3.61Å; Y178-F181 HydrophobicContact CD2-CE1 4.06Å; Y178-F181 AromaticContact CE2-CD1 3.77Å; Y178-F181 HydrophobicContact CE2-CD1 3.77Å; Y178-F181 AromaticContact CE2-CE1 3.87Å; Y178-F181 HydrophobicContact CE2-CE1 3.87Å; Y178-F181 WeakPolarHBondContact O-CB 3.4Å; Y178-F181 PolarHBondContact O-N 3.17Å; L179-F181 PolarHBondContact O-N 3.49Å; F181-S184 WeakPolarHBondContact O-CB 3.38Å; F181-S184 PolarHBondContact O-N 3.34Å
182	L	48.5	Very low	47.7	Very low	34 Å²	34	99.5 Å²	99.5	18%	0.178	45%	0.449	C	S	.	.	H	α-helix	trans	-66.1	-38	176.4	-72.1	-174.6	0	0	0	113.5	Y178 L179	Y178-L182 HydrophobicContact CD1-CD1 4.25Å; Y178-L182 HydrophobicContact CD2-CG 4.44Å; Y178-L182 HydrophobicContact CE1-CD1 3.53Å; Y178-L182 HydrophobicContact CE1-CG 4.04Å; Y178-L182 HydrophobicContact CE2-CD1 4.27Å; Y178-L182 HydrophobicContact CE2-CD2 3.98Å; Y178-L182 HydrophobicContact CE2-CG 3.9Å; Y178-L182 PolarHBondContact O-N 3.26Å; L179-L182 PolarHBondContact O-N 3.37Å
183	Y	50.9	Low	47.2	Very low	144 Å²	144	93.3 Å²	93.3	57%	0.565	44%	0.435	S	S	*	.	H	α-helix	trans	-91.6	6.4	-179.2	-71.9	-79.7	0	0	0	113.4	L179 K187	L179-Y183 HydrophobicContact CD2-CD2 4.35Å; L179-Y183 HydrophobicContact CD2-CE2 4Å; L179-Y183 WeakPolarHBondContact O-CB 3.36Å; L179-Y183 WeakPolarHBondContact O-CD2 3.39Å; L179-Y183 PolarHBondContact O-N 3.42Å; Y183-K187 VanDerWaalsContact O-CB 3.27Å; Y183-K187 WeakPolarHBondContact O-CB 3.36Å; Y183-K187 PolarHBondContact O-N 2.99Å
184	S	48.5	Very low	46.2	Very low	54 Å²	54	91.3 Å²	91.3	38%	0.378	43%	0.43	S	S	.	.	H	α-helix	trans	-60.7	-46.8	173.8	-80.3	0	0	0	0	111.4	E180 F181 K187 L188	E180-S184 WeakPolarHBondContact O-CB 3.42Å; E180-S184 PolarHBondContact O-N 3.23Å; E180-S184 PolarHBondContact O-OG 3.22Å; F181-S184 WeakPolarHBondContact O-CB 3.38Å; F181-S184 PolarHBondContact O-N 3.34Å; S184-K187 PolarHBondContact O-N 3.35Å; S184-L188 WeakPolarHBondContact O-CG 3.26Å; S184-L188 PolarHBondContact O-N 3.48Å
185	D	46.2	Very low	45.6	Very low	105 Å²	105	98.2 Å²	98.2	56%	0.561	45%	0.45	S	S	*	.	H	α-helix	trans	-70.8	-49.1	-173.9	-56.6	-41.8	0	0	0	111.5	K187 L188 E189	D185-K187 PolarHBondContact O-N 3.48Å; D185-K187 VanDerWaalsContact O-N 3.12Å; D185-L188 WeakPolarHBondContact O-CA 3.47Å; D185-L188 WeakPolarHBondContact O-CB 3.19Å; D185-L188 PolarHBondContact O-N 3.25Å; D185-E189 PolarHBondContact O-N 3.05Å
186	Y	40.7	Very low	45.4	Very low	180 Å²	180	95.2 Å²	95.2	71%	0.706	45%	0.445	S	S	*	.	H	α-helix	trans	-53.6	-35.4	173.1	-82.5	-80.3	0	0	0	113.3	S190	Y186-S190 VanDerWaalsContact O-CB 3.32Å; Y186-S190 WeakPolarHBondContact O-CB 3.26Å; Y186-S190 PolarHBondContact O-N 3.3Å
187	K	46.6	Very low	44.8	Very low	140 Å²	140	97.8 Å²	97.8	61%	0.609	45%	0.452	S	S	*	.	H	α-helix	trans	-82.8	-20.1	179.4	-155.1	168.5	-169.1	171.9	0	112.9	Y183 S184 D185 R191	Y183-K187 VanDerWaalsContact O-CB 3.27Å; Y183-K187 WeakPolarHBondContact O-CB 3.36Å; Y183-K187 PolarHBondContact O-N 2.99Å; S184-K187 PolarHBondContact O-N 3.35Å; D185-K187 PolarHBondContact O-N 3.48Å; D185-K187 VanDerWaalsContact O-N 3.12Å; K187-R191 VanDerWaalsContact O-CB 3.32Å; K187-R191 WeakPolarHBondContact O-CB 3.23Å; K187-R191 WeakPolarHBondContact O-CD 3.32Å; K187-R191 VanDerWaalsContact O-CG 3.23Å; K187-R191 WeakPolarHBondContact O-CG 3.45Å; K187-R191 PolarHBondContact O-N 3.18Å
188	L	38.3	Very low	44	Very low	58 Å²	58	98.8 Å²	98.8	30%	0.304	46%	0.459	S	S	.	.	H	α-helix	trans	-78.9	-47.7	171.9	-84.5	170.3	0	0	0	111.8	S184 D185 R191 R192 P622	S184-L188 WeakPolarHBondContact O-CG 3.26Å; S184-L188 PolarHBondContact O-N 3.48Å; D185-L188 WeakPolarHBondContact O-CA 3.47Å; D185-L188 WeakPolarHBondContact O-CB 3.19Å; D185-L188 PolarHBondContact O-N 3.25Å; L188-R191 CarbonylContact O-C 3.58Å; L188-R191 WeakPolarHBondContact O-CA 3.07Å; L188-R191 PolarHBondContact O-N 3.17Å; L188-R191 VanDerWaalsContact O-N 3.1Å; L188-R192 WeakPolarHBondContact O-CB 3.47Å; L188-R192 WeakPolarHBondContact O-CG 3.45Å; L188-R192 PolarHBondContact O-N 3.08Å; L188-P622 HydrophobicContact CD1-CG 3.79Å; L188-P622 HydrophobicContact CD2-CG 3.77Å; L188-P622 HydrophobicContact CG-CG 4.45Å
189	E	38.2	Very low	43.6	Very low	96 Å²	96	104.4 Å²	104.4	45%	0.449	48%	0.484	S	S	.	.	H	α-helix	trans	-65.8	-40.9	179	-98.5	37.7	-117.6	0	0	111.9	D185 R191 R192 S193	D185-E189 PolarHBondContact O-N 3.05Å; E189-R191 VanDerWaalsContact C-N 3.3Å; E189-R191 PolarHBondContact O-N 2.67Å; E189-R192 PolarHBondContact O-N 2.58Å; E189-R192 WeakPolarHBondContact OE1-CD 3.41Å; E189-R192 IonicContact OE1-CZ 2.77Å; E189-R192 IonicContact OE1-NE 3.25Å; E189-R192 IonicContact OE1-NH1 2.74Å; E189-R192 PolarHBondContact OE1-NH1 2.97Å; E189-R192 IonicContact OE2-NH1 2.74Å; E189-S193 PolarHBondContact O-N 3.49Å
190	S	36.1	Very low	43	Very low	69 Å²	69	104.5 Å²	104.5	48%	0.483	49%	0.489	S	S	.	.	H	α-helix	trans	-60.1	-38.8	170.6	-179.1	0	0	0	0	112.3	Y186 N194	Y186-S190 VanDerWaalsContact O-CB 3.32Å; Y186-S190 WeakPolarHBondContact O-CB 3.26Å; Y186-S190 PolarHBondContact O-N 3.3Å; S190-N194 PolarHBondContact O-N 2.87Å; S190-N194 PolarHBondContact O-ND2 2.77Å
191	R	36.8	Very low	41.9	Very low	172 Å²	172	105.3 Å²	105.3	65%	0.649	49%	0.49	S	S	*	.	H	α-helix	trans	-74	-30.2	175	-79.5	177.9	164.7	-170.3	-5.9	113.1	K187 L188 E189 R195	K187-R191 VanDerWaalsContact O-CB 3.32Å; K187-R191 WeakPolarHBondContact O-CB 3.23Å; K187-R191 WeakPolarHBondContact O-CD 3.32Å; K187-R191 VanDerWaalsContact O-CG 3.23Å; K187-R191 WeakPolarHBondContact O-CG 3.45Å; K187-R191 PolarHBondContact O-N 3.18Å; L188-R191 CarbonylContact O-C 3.58Å; L188-R191 WeakPolarHBondContact O-CA 3.07Å; L188-R191 PolarHBondContact O-N 3.17Å; L188-R191 VanDerWaalsContact O-N 3.1Å; E189-R191 VanDerWaalsContact C-N 3.3Å; E189-R191 PolarHBondContact O-N 2.67Å; R191-R195 WeakPolarHBondContact O-CB 3.32Å; R191-R195 PolarHBondContact O-N 2.74Å
192	R	39.3	Very low	41.1	Very low	74 Å²	74	106 Å²	106	28%	0.279	50%	0.502	S	S	.	.	H	α-helix	trans	-68.1	-51.9	173.9	-78.9	165.6	165.5	-175.1	-3.9	110.8	L188 E189 N194 R195 T196 P620 Y621	L188-R192 WeakPolarHBondContact O-CB 3.47Å; L188-R192 WeakPolarHBondContact O-CG 3.45Å; L188-R192 PolarHBondContact O-N 3.08Å; E189-R192 PolarHBondContact O-N 2.58Å; E189-R192 WeakPolarHBondContact OE1-CD 3.41Å; E189-R192 IonicContact OE1-CZ 2.77Å; E189-R192 IonicContact OE1-NE 3.25Å; E189-R192 IonicContact OE1-NH1 2.74Å; E189-R192 PolarHBondContact OE1-NH1 2.97Å; E189-R192 IonicContact OE2-NH1 2.74Å; R192-N194 VanDerWaalsContact C-N 3.26Å; R192-N194 PolarHBondContact O-N 3.31Å; R192-R195 PolarHBondContact O-N 2.99Å; R192-T196 PolarHBondContact O-N 2.92Å; R192-T196 PolarHBondContact O-OG1 3.08Å; R192-P620 PolarHBondContact NH2-O 3.15Å; R192-Y621 PolarHBondContact NH2-O 2.98Å; R192-Y621 VanDerWaalsContact NH2-O 3.11Å
193	S	38.7	Very low	40.6	Very low	58 Å²	58	111.5 Å²	111.5	41%	0.406	53%	0.527	S	S	.	.	H	α-helix	trans	-51.6	-46.6	175.2	-169.7	0	0	0	0	111.4	E189 K197	E189-S193 PolarHBondContact O-N 3.49Å; S193-K197 WeakPolarHBondContact O-CB 3.45Å; S193-K197 WeakPolarHBondContact O-CD 3.23Å; S193-K197 VanDerWaalsContact O-CG 3.23Å; S193-K197 WeakPolarHBondContact O-CG 3.34Å; S193-K197 PolarHBondContact O-N 2.97Å; S193-K197 VanDerWaalsContact O-N 3.08Å; S193-K197 PolarHBondContact OG-NZ 3.19Å
194	N	37.9	Very low	39.6	Very low	84 Å²	84	114.4 Å²	114.4	45%	0.449	54%	0.538	S	S	.	.	H	α-helix	trans	-71.3	-35.6	178.4	-73.4	-52.6	0	0	0	114	S190 R192 K197 H198	S190-N194 PolarHBondContact O-N 2.87Å; S190-N194 PolarHBondContact O-ND2 2.77Å; R192-N194 VanDerWaalsContact C-N 3.26Å; R192-N194 PolarHBondContact O-N 3.31Å; N194-K197 PolarHBondContact O-N 3.39Å; N194-H198 PolarHBondContact O-CD2 3.48Å; N194-H198 PolarHBondContact O-N 2.83Å
195	R	40.8	Very low	38.8	Very low	204 Å²	204	118 Å²	118	77%	0.77	55%	0.553	S	S	*	*	H	α-helix	trans	-74	-34.2	178.6	-158.5	175	-160.2	-174.9	4.9	112.4	R191 R192 H198 K199	R191-R195 WeakPolarHBondContact O-CB 3.32Å; R191-R195 PolarHBondContact O-N 2.74Å; R192-R195 PolarHBondContact O-N 2.99Å; R195-H198 PolarHBondContact O-N 3.11Å; R195-K199 WeakPolarHBondContact O-CB 3.27Å; R195-K199 PolarHBondContact O-N 2.94Å
196	T	43.1	Very low	38	Very low	56 Å²	56	124 Å²	124	34%	0.344	57%	0.568	S	S	.	*	H	α-helix	trans	-72.3	-30.2	173.3	-48.8	0	0	0	0	111.6	R192 S200	R192-T196 PolarHBondContact O-N 2.92Å; R192-T196 PolarHBondContact O-OG1 3.08Å; T196-S200 PolarHBondContact O-N 2.86Å; T196-S200 PolarHBondContact O-OG 2.9Å
197	K	42.7	Very low	37.4	Very low	124 Å²	124	125 Å²	125	54%	0.539	58%	0.577	S	S	.	*	H	α-helix	trans	-66.4	-49.7	167.6	-75.6	163.8	-179	159.7	0	111.7	S193 N194 K199 S200 F201	S193-K197 WeakPolarHBondContact O-CB 3.45Å; S193-K197 WeakPolarHBondContact O-CD 3.23Å; S193-K197 VanDerWaalsContact O-CG 3.23Å; S193-K197 WeakPolarHBondContact O-CG 3.34Å; S193-K197 PolarHBondContact O-N 2.97Å; S193-K197 VanDerWaalsContact O-N 3.08Å; S193-K197 PolarHBondContact OG-NZ 3.19Å; N194-K197 PolarHBondContact O-N 3.39Å; K197-K199 PolarHBondContact O-N 3.41Å; K197-S200 PolarHBondContact O-N 3.33Å; K197-F201 PolarHBondContact O-N 2.87Å
198	H	41	Very low	36.5	Very low	144 Å²	144	124 Å²	124	67%	0.667	59%	0.587	S	S	*	*	H	α-helix	trans	-62.2	-41.7	177.7	-94.1	-82.7	0	0	0	113.6	N194 R195 S200 F201 S202	N194-H198 PolarHBondContact O-CD2 3.48Å; N194-H198 PolarHBondContact O-N 2.83Å; R195-H198 PolarHBondContact O-N 3.11Å; H198-S200 PolarHBondContact O-N 2.81Å; H198-F201 PolarHBondContact O-N 3.48Å; H198-F201 VanDerWaalsContact O-N 3.11Å; H198-S202 PolarHBondContact O-N 3.14Å; H198-S202 VanDerWaalsContact O-N 3.14Å; H198-S202 PolarHBondContact O-OG 2.73Å
199	K	40.9	Very low	36.2	Very low	140 Å²	140	126.5 Å²	126.5	61%	0.609	62%	0.616	S	S	*	*	H	α-helix	trans	-66.3	-38.4	-178.1	-157.2	-179	-178.5	-165.7	0	112.2	R195 K197 F201 S202	R195-K199 WeakPolarHBondContact O-CB 3.27Å; R195-K199 PolarHBondContact O-N 2.94Å; K197-K199 PolarHBondContact O-N 3.41Å; K199-F201 PolarHBondContact O-N 3.01Å; K199-S202 PolarHBondContact O-N 3.4Å; K199-S202 PolarHBondContact O-OG 3Å
200	S	38	Very low	36	Very low	58 Å²	58	128.1 Å²	128.1	41%	0.406	63%	0.628	S	S	.	*	H	α-helix	trans	-68.6	-17.7	173.3	-66	0	0	0	0	114.1	T196 K197 H198 K459	T196-S200 PolarHBondContact O-N 2.86Å; T196-S200 PolarHBondContact O-OG 2.9Å; K197-S200 PolarHBondContact O-N 3.33Å; H198-S200 PolarHBondContact O-N 2.81Å; S200-K459 PolarHBondContact OG-NZ 3.19Å
201	F	34.7	Very low	35.8	Very low	160 Å²	160	131.8 Å²	131.8	70%	0.702	64%	0.637	S	S	*	*	H	α-helix	trans	-90.4	-19.9	174.3	-112	-92.4	0	0	0	113.8	K197 H198 K199	K197-F201 PolarHBondContact O-N 2.87Å; H198-F201 PolarHBondContact O-N 3.48Å; H198-F201 VanDerWaalsContact O-N 3.11Å; K199-F201 PolarHBondContact O-N 3.01Å
202	S	35.3	Very low	35.5	Very low	71 Å²	71	129.2 Å²	129.2	50%	0.497	65%	0.646	S	S	.	*	H	α-helix	trans	-80.6	-26.2	-178.3	49.9	0	0	0	0	114.9	H198 K199	H198-S202 PolarHBondContact O-N 3.14Å; H198-S202 VanDerWaalsContact O-N 3.14Å; H198-S202 PolarHBondContact O-OG 2.73Å; K199-S202 PolarHBondContact O-N 3.4Å; K199-S202 PolarHBondContact O-OG 3Å
203	E	37.9	Very low	35.3	Very low	150 Å²	150	131.9 Å²	131.9	70%	0.701	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-11.6	-176	-80.8	166.4	150.3	0	0	114
204	Y	30.4	Very low	34.9	Very low	205 Å²	205	132.9 Å²	132.9	80%	0.804	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	0.3	177.5	-109	-91.1	0	0	0	115.2
205	N	32	Very low	34.5	Very low	129 Å²	129	133.3 Å²	133.3	69%	0.69	71%	0.708	S	S	*	*	S	Bend	trans	-124.2	32.1	-172.3	-84.8	-53.2	0	0	0	114.1
206	R	29.4	Very low	34.1	Very low	231 Å²	231	133.4 Å²	133.4	87%	0.872	71%	0.714	S	S	*	*			trans	-132.3	47.8	175.8	-99.1	-169.8	176	-167.4	-1.5	115.1
207	F	27.6	Very low	33.5	Very low	202 Å²	202	137 Å²	137	89%	0.886	73%	0.731	S	S	*	*	S	Bend	trans	-126.1	141.8	152.9	-91.1	-86.2	0	0	0	110.3
208	S	27.8	Very low	32.9	Very low	119 Å²	119	140.9 Å²	140.9	83%	0.832	75%	0.748	S	S	*	*			trans	59.8	82.4	164.7	-57.2	0	0	0	0	118.3
209	A	31.8	Very low	32.3	Very low	110 Å²	110	142.7 Å²	142.7	91%	0.909	76%	0.756	S	S	*	*			trans	-148.9	66	158.4	0	0	0	0	0	111
210	D	33.9	Very low	32	Very low	131 Å²	131	140.7 Å²	140.7	70%	0.701	76%	0.758	S	S	*	*			trans	-103.6	136	176.9	-168.8	25.3	0	0	0	111.3
211	Q	31.8	Very low	31.6	Very low	145 Å²	145	144.7 Å²	144.7	68%	0.678	77%	0.774	S	S	*	*	S	Bend	trans	65.3	94.5	169.6	-72.4	162.3	64.8	0	0	120.6
212	S	30.9	Very low	31.4	Very low	119 Å²	119	146 Å²	146	83%	0.832	78%	0.78	S	S	*	*				78.8	159.4	115.1	-86.8	0	0	0	0	121.2
213	P	33.8	Very low	31.4	Very low	130 Å²	130	147.4 Å²	147.4	84%	0.844	79%	0.785	S	S	*	*				-122.9	166.2	-129.5	42.2	-32.2	0	0	0	116.2
214	G	30.9	Very low	31.4	Very low	79 Å²	79	146.1 Å²	146.1	81%	0.814	79%	0.79	S	S	*	*			trans	-146.2	118.9	168.4	0	0	0	0	0	111.4
215	A	29.4	Very low	31.6	Very low	93 Å²	93	140.2 Å²	140.2	77%	0.769	77%	0.772	S	S	*	*			trans	-81.1	147.9	-176.7	0	0	0	0	0	113.1
216	K	33.8	Very low	31.6	Very low	205 Å²	205	144.5 Å²	144.5	89%	0.891	78%	0.78	S	S	*	*			trans	-171.6	140.2	131	-97.8	143.4	-165.6	174.1	0	113.3
217	N	29	Very low	31.8	Very low	131 Å²	131	140.7 Å²	140.7	70%	0.701	77%	0.767	S	S	*	*			trans	-52.2	151.6	175.2	-39.8	-32.6	0	0	0	113.4
218	F	30.2	Very low	32	Very low	207 Å²	207	136.8 Å²	136.8	91%	0.908	76%	0.755	S	S	*	*				-176.3	168.5	101.6	-97.8	-69.3	0	0	0	111.8
219	H	28.9	Very low	32.2	Very low	182 Å²	182	135.6 Å²	135.6	84%	0.843	75%	0.752	S	S	*	*			trans	-96.6	155.9	-162.8	-140.2	-112.9	0	0	0	113.7
220	P	35.3	Very low	32.3	Very low	98 Å²	98	134.3 Å²	134.3	64%	0.636	73%	0.73	S	S	*	*			trans	-101.9	164.9	-174.3	39.3	-35.7	0	0	0	114.8
221	L	28.2	Very low	32.2	Very low	142 Å²	142	132.4 Å²	132.4	74%	0.743	72%	0.719	S	S	*	*			trans	-151.6	134.1	160.5	-73.2	179.8	0	0	0	110.2
222	F	31.5	Very low	32.4	Very low	187 Å²	187	130 Å²	130	82%	0.82	71%	0.711	S	S	*	*				-178.6	144.5	98.3	-102.3	-71.7	0	0	0	113
223	T	35.4	Very low	32.6	Very low	100 Å²	100	130.8 Å²	130.8	61%	0.613	71%	0.706	S	S	*	*			trans	-93.1	-139.9	-176.8	58.8	0	0	0	0	109.6	D225	T223-D225 WeakPolarHBondContact CB-OD2 3.12Å; T223-D225 PolarHBondContact OG1-OD2 3.44Å
224	P	38.4	Very low	32.4	Very low	124 Å²	124	129.3 Å²	129.3	81%	0.805	70%	0.698	S	S	*	*			cis	-103.6	-174.2	3.6	36.7	-24.1	0	0	0	113.5
225	D	34.4	Very low	32.6	Very low	80 Å²	80	133 Å²	133	43%	0.428	70%	0.699	S	S	.	*			cis	172	160.9	-49.8	-106.1	-78.2	0	0	0	106.6	T223 Y227	T223-D225 WeakPolarHBondContact CB-OD2 3.12Å; T223-D225 PolarHBondContact OG1-OD2 3.44Å; D225-Y227 HydrophobicContact CB-CE1 4.46Å; D225-Y227 WeakPolarHBondContact CB-OH 3.37Å; D225-Y227 WeakPolarHBondContact OD1-CE1 3.42Å; D225-Y227 PolarHBondContact OD1-OH 2.99Å
226	Y	31.5	Very low	32.7	Very low	219 Å²	219	133.6 Å²	133.6	86%	0.859	69%	0.693	S	S	*	*			trans	-179.2	169	147.2	-104.3	-59.1	0	0	0	115
227	Y	33	Very low	32.6	Very low	151 Å²	151	129.1 Å²	129.1	59%	0.592	69%	0.685	S	S	*	*			trans	-148.9	164.7	-157.5	-40	-55.5	0	0	0	110.4	D225	D225-Y227 HydrophobicContact CB-CE1 4.46Å; D225-Y227 WeakPolarHBondContact CB-OH 3.37Å; D225-Y227 WeakPolarHBondContact OD1-CE1 3.42Å; D225-Y227 PolarHBondContact OD1-OH 2.99Å
228	L	31.3	Very low	32.6	Very low	121 Å²	121	125.1 Å²	125.1	63%	0.634	67%	0.667	S	S	*	*			cis	-144.5	-132.6	-2.7	-132.9	167.7	0	0	0	109.6	N230 L834	L228-N230 HydrophobicContact CD2-CB 4.27Å; L228-L834 HydrophobicContact CD1-CD2 3.83Å; L228-L834 HydrophobicContact CD2-CD2 3.53Å; L228-L834 HydrophobicContact CG-CD2 4.34Å
229	A	32.7	Very low	32.6	Very low	93 Å²	93	121.2 Å²	121.2	77%	0.769	66%	0.66	S	S	*	*			cis	-144.1	177.2	9.6	0	0	0	0	0	111.5
230	N	33.2	Very low	32.5	Very low	83 Å²	83	117.6 Å²	117.6	44%	0.444	66%	0.656	S	S	.	*			trans	-162.8	-177.5	-153.2	-147.1	-27.7	0	0	0	115.4	L228 L834 N835	L228-N230 HydrophobicContact CD2-CB 4.27Å; N230-L834 HydrophobicContact CB-CD2 3.77Å; N230-N835 WeakPolarHBondContact ND2-CB 3.42Å
231	N	33.5	Very low	32.3	Very low	91 Å²	91	121.6 Å²	121.6	49%	0.487	67%	0.666	S	S	.	*			trans	83.7	154.8	155.2	-56.7	-17.1	0	0	0	119.9	N835	N231-N835 PolarHBondContact OD1-ND2 2.98Å
232	N	34.7	Very low	32.2	Very low	94 Å²	94	123.6 Å²	123.6	50%	0.503	67%	0.671	S	S	.	*			cis	-169.3	167.8	-24.1	-102.7	-10.6	0	0	0	115	Y836	N232-Y836 PolarHBondContact ND2-OH 3.31Å; N232-Y836 WeakPolarHBondContact OD1-CE2 3.1Å; N232-Y836 PolarHBondContact OD1-OH 3.29Å
233	N	35.5	Very low	32.2	Very low	137 Å²	137	121.9 Å²	121.9	73%	0.733	67%	0.669	S	S	*	*			trans	95.8	125.5	140.9	-92.2	5.2	0	0	0	127.2
234	C	29.5	Very low	31.7	Very low	98 Å²	98	122.2 Å²	122.2	66%	0.662	68%	0.676	S	S	*	*			trans	87.4	123.9	130.4	-72.5	0	0	0	0	127.1
235	N	35	Very low	31.5	Very low	156 Å²	156	123 Å²	123	83%	0.834	68%	0.678	S	S	*	*			trans	84.8	158.8	139.8	-67.4	-4.6	0	0	0	123.6
236	V	31.5	Very low	31	Very low	107 Å²	107	125.4 Å²	125.4	65%	0.648	69%	0.691	S	S	*	*			trans	-150	146.5	-160.8	-152.1	0	0	0	0	110.9	R846	V236-R846 VanDerWaalsContact CG1-NH2 3.3Å
237	P	31.1	Very low	31.3	Very low	111 Å²	111	120.8 Å²	120.8	72%	0.721	69%	0.688	S	S	*	*				-146.8	-159.6	111.9	38.4	-21.1	0	0	0	113.7	R846	P237-R846 PolarHBondContact O-NH1 2.91Å; P237-R846 PolarHBondContact O-NH2 3.26Å
238	S	29.3	Very low	31.1	Very low	46 Å²	46	121.8 Å²	121.8	32%	0.322	70%	0.695	S	S	.	*			trans	-136.5	133.2	-168.2	-47.3	0	0	0	0	116.1
239	T	31.4	Very low	31.2	Very low	125 Å²	125	121.8 Å²	121.8	77%	0.767	70%	0.7	S	S	*	*			trans	-140.4	147.7	154.9	36.9	0	0	0	0	105.9
240	S	25.4	Very low	31.1	Very low	107 Å²	107	127.6 Å²	127.6	75%	0.748	70%	0.702	S	S	*	*			cis	79	147.7	49	-60.5	0	0	0	0	113.4
241	E	32.1	Very low	31.1	Very low	181 Å²	181	129.9 Å²	129.9	85%	0.846	71%	0.714	S	S	*	*			trans	73.3	123.8	-162.1	-60.2	161.8	-163.7	0	0	111.8
242	Q	25.7	Very low	30.8	Very low	185 Å²	185	130.9 Å²	130.9	86%	0.864	72%	0.723	S	S	*	*			cis	71.1	158.9	39.7	-62.6	-159.5	-2.4	0	0	114.4
243	I	31.7	Very low	30.6	Very low	151 Å²	151	132.7 Å²	132.7	77%	0.774	74%	0.738	S	S	*	*			trans	74.1	107.5	-163.7	-50.7	164.7	0	0	0	110.2
244	S	25.3	Very low	30.2	Very low	107 Å²	107	130.5 Å²	130.5	75%	0.748	73%	0.733	S	S	*	*			cis	72.7	97.4	35.3	-163.9	0	0	0	0	115.1
245	T	32.8	Very low	30	Very low	140 Å²	140	135.8 Å²	135.8	86%	0.859	74%	0.739	S	S	*	*			trans	177.6	156.2	138.2	23.3	0	0	0	0	112
246	N	25.1	Very low	29.7	Very low	131 Å²	131	134.8 Å²	134.8	70%	0.701	74%	0.739	S	S	*	*			trans	-86.2	159.1	171.3	-87.4	-65.5	0	0	0	111.4	F248	N246-F248 HydrophobicContact CB-CB 4.21Å; N246-F248 HydrophobicContact CB-CD2 4.17Å
247	P	38.5	Very low	29.5	Very low	121 Å²	121	133.2 Å²	133.2	79%	0.786	73%	0.733	S	S	*	*				-117.4	133.3	100.8	34.2	-33.4	0	0	0	110.4
248	F	27.1	Very low	29.4	Very low	172 Å²	172	132.8 Å²	132.8	75%	0.754	73%	0.733	S	S	*	*			cis	64.8	151.8	34.1	-118.2	-81.6	0	0	0	114.6	N246	N246-F248 HydrophobicContact CB-CB 4.21Å; N246-F248 HydrophobicContact CB-CD2 4.17Å
249	V	34	Very low	29.3	Very low	121 Å²	121	136.8 Å²	136.8	73%	0.733	76%	0.756	S	S	*	*			trans	77.1	115.6	-176.9	-171.3	0	0	0	0	112.8
250	R	31.6	Very low	29.2	Very low	215 Å²	215	136.8 Å²	136.8	81%	0.811	75%	0.75	S	S	*	*			cis	-151	140.9	5.7	-141.5	166.4	-175.9	160.7	1.6	113.3
251	L	31.6	Very low	29.4	Very low	132 Å²	132	140.4 Å²	140.4	69%	0.691	75%	0.754	S	S	*	*			trans	31.2	118.2	150.3	-59.2	169.9	0	0	0	118.3
252	T	27.2	Very low	29.3	Very low	111 Å²	111	136.6 Å²	136.6	68%	0.681	75%	0.748	S	S	*	*				50.3	108.6	61.4	77.2	0	0	0	0	115.6
253	T	30.6	Very low	29.7	Very low	132 Å²	132	133.2 Å²	133.2	81%	0.81	74%	0.742	S	S	*	*				-175.5	113.5	120	30.6	0	0	0	0	112.5
254	S	26.7	Very low	29.6	Very low	91 Å²	91	131.4 Å²	131.4	64%	0.636	74%	0.738	S	S	*	*			trans	27.4	123.8	137.2	60.3	0	0	0	0	123.6
255	W	26.6	Very low	29.8	Very low	209 Å²	209	133 Å²	133	79%	0.792	74%	0.737	S	S	*	*				77	162.3	121.5	-73.4	36.8	0	0	0	121.7	L1132	W255-L1132 HydrophobicContact CH2-CD2 3.76Å; W255-L1132 HydrophobicContact CZ3-CD2 3.8Å
256	T	28.6	Very low	29.6	Very low	135 Å²	135	133.7 Å²	133.7	83%	0.828	73%	0.729	S	S	*	*			trans	84.8	165	169.5	72.2	0	0	0	0	117.1
257	S	27.1	Very low	29.7	Very low	75 Å²	75	132.2 Å²	132.2	52%	0.524	73%	0.73	S	S	.	*			trans	-114.6	-171.5	-143.7	-54.8	0	0	0	0	113.6	H1135	S257-H1135 PolarHBondContact OG-NE2 3.11Å
258	S	28.5	Very low	29.5	Very low	102 Å²	102	131.3 Å²	131.3	71%	0.713	73%	0.732	S	S	*	*			trans	77.4	101.6	152.2	50.1	0	0	0	0	120.5
259	T	28.5	Very low	29.6	Very low	130 Å²	130	129.5 Å²	129.5	80%	0.798	73%	0.726	S	S	*	*				68.3	156.5	111.7	-34.2	0	0	0	0	120.1
260	I	29.2	Very low	29.7	Very low	125 Å²	125	128.4 Å²	128.4	64%	0.641	72%	0.722	S	S	*	*			trans	103.9	104.4	154.9	-59	-171.9	0	0	0	117.5
261	Q	29.3	Very low	29.8	Very low	182 Å²	182	125.7 Å²	125.7	85%	0.85	72%	0.723	S	S	*	*			trans	71.9	121.1	141.6	-74.8	171.3	-35	0	0	123.4
262	S	30.1	Very low	29.6	Very low	101 Å²	101	125.1 Å²	125.1	71%	0.706	72%	0.72	S	S	*	*			trans	-58.6	164.1	143.2	-26.5	0	0	0	0	111.8
263	P	34.3	Very low	30	Very low	115 Å²	115	128.9 Å²	128.9	75%	0.747	73%	0.73	S	S	*	*				-137.3	167.7	75.7	41.4	-25.1	0	0	0	112.2
264	V	29.9	Very low	29.9	Very low	112 Å²	112	131.3 Å²	131.3	68%	0.679	73%	0.725	S	S	*	*				54.3	122.1	54.2	-147.5	0	0	0	0	109.8
265	I	28.9	Very low	30.2	Very low	142 Å²	142	133.6 Å²	133.6	73%	0.728	73%	0.73	S	S	*	*				-173.3	131.8	81.4	-88.9	176	0	0	0	110
266	H	29.1	Very low	30.3	Very low	153 Å²	153	131.2 Å²	131.2	71%	0.708	73%	0.726	S	S	*	*			trans	42.2	125.6	143.7	-68.2	-92.6	0	0	0	124.8
267	S	27.2	Very low	30.4	Very low	101 Å²	101	129.6 Å²	129.6	71%	0.706	72%	0.72	S	S	*	*				54.4	128.7	114.2	-46.4	0	0	0	0	122.3
268	A	32.8	Very low	30.4	Very low	101 Å²	101	131 Å²	131	84%	0.835	73%	0.729	S	S	*	*				-123.4	148.6	129.3	0	0	0	0	0	108.3
269	Q	30.4	Very low	30.5	Very low	135 Å²	135	135 Å²	135	63%	0.631	73%	0.733	S	S	*	*			trans	-101.3	-137.7	176	-73.4	-167.6	-26.8	0	0	111.4	H403	Q269-H403 PolarHBondContact NE2-CE1 3.28Å; Q269-H403 VanDerWaalsContact NE2-CE1 3.3Å; Q269-H403 PolarHBondContact NE2-ND1 3.22Å; Q269-H403 PolarHBondContact OE1-CE1 3.39Å
270	P	35.7	Very low	30.5	Very low	98 Å²	98	133.6 Å²	133.6	64%	0.636	73%	0.728	S	S	*	*				-119.8	-171.4	-121.2	39	-20	0	0	0	112.4
271	D	34.1	Very low	30.4	Very low	158 Å²	158	133.4 Å²	133.4	85%	0.845	73%	0.729	S	S	*	*			trans	-162.3	162.3	133.5	-109.7	-33.6	0	0	0	112
272	L	27.4	Very low	30.3	Very low	120 Å²	120	133 Å²	133	63%	0.628	73%	0.727	S	S	*	*			trans	-100.6	151.2	179.7	-59.5	92.9	0	0	0	111.6	L405	L272-L405 HydrophobicContact CD2-CD1 4.42Å
273	H	35.8	Very low	30.4	Very low	190 Å²	190	137.6 Å²	137.6	88%	0.88	73%	0.729	S	S	*	*			trans	-157.9	152.9	142.1	-126	-87.8	0	0	0	114.7
274	Y	27.9	Very low	30.3	Very low	183 Å²	183	139.4 Å²	139.4	72%	0.718	73%	0.728	S	S	*	*			trans	-62.4	166.5	167.5	-98.4	-128.4	0	0	0	111.4
275	D	32.2	Very low	30.1	Very low	138 Å²	138	141.8 Å²	141.8	74%	0.738	73%	0.731	S	S	*	*			cis	-159.4	-172.8	41.8	-156.3	-4.5	0	0	0	114.2
276	K	30.1	Very low	30.1	Very low	160 Å²	160	145.5 Å²	145.5	70%	0.696	74%	0.736	S	S	*	*			trans	-90.7	152.5	-170	-59.1	156.2	-175.9	167.8	0	114
277	S	29.6	Very low	30	Very low	101 Å²	101	143 Å²	143	71%	0.706	74%	0.736	S	S	*	*				144	160.2	114.2	70.9	0	0	0	0	113.6
278	C	28.4	Very low	30.2	Very low	105 Å²	105	145 Å²	145	71%	0.709	74%	0.744	S	S	*	*			trans	64.3	143.5	164.4	-61.3	0	0	0	0	116.3
279	K	29.8	Very low	29.9	Very low	186 Å²	186	142.7 Å²	142.7	81%	0.809	72%	0.722	S	S	*	*			cis	167.1	140.6	-13	-112.9	172.5	-179	175.4	0	102.8
280	S	27.7	Very low	29.8	Very low	100 Å²	100	143.9 Å²	143.9	70%	0.699	72%	0.72	S	S	*	*			trans	65.5	140.8	153.1	-101.9	0	0	0	0	121.7
281	N	27.9	Very low	29.5	Very low	121 Å²	121	142.7 Å²	142.7	65%	0.647	71%	0.706	S	S	*	*			trans	70.5	104.4	137.3	-57.3	8.8	0	0	0	120.7
282	H	27.5	Very low	29.4	Very low	174 Å²	174	143.7 Å²	143.7	81%	0.806	71%	0.706	S	S	*	*			trans	64.7	-170.5	139	-65	-44.8	0	0	0	117.6
283	Y	31	Very low	29.4	Very low	196 Å²	196	146.2 Å²	146.2	77%	0.769	71%	0.712	S	S	*	*			trans	71.1	94.8	-176.2	-60.9	-84.7	0	0	0	113.6
284	H	32.4	Very low	29.1	Very low	154 Å²	154	144.4 Å²	144.4	71%	0.713	71%	0.708	S	S	*	*				77.9	111	84.1	-85.3	-89	0	0	0	110.1
285	H	27.5	Very low	29.1	Very low	162 Å²	162	141.6 Å²	141.6	75%	0.75	71%	0.705	S	S	*	*				72.5	125.9	64.3	-153.9	0.1	0	0	0	112.2
286	R	27.5	Very low	28.9	Very low	220 Å²	220	140.4 Å²	140.4	83%	0.83	70%	0.698	S	S	*	*			trans	76.9	126.3	-178.5	-63.2	-179.8	169	-169.5	-4.1	114.7
287	S	26.6	Very low	29	Very low	101 Å²	101	140.4 Å²	140.4	71%	0.706	70%	0.7	S	S	*	*			cis	88.7	154.6	41.7	-60.2	0	0	0	0	113.7
288	T	31.2	Very low	29	Very low	142 Å²	142	141.6 Å²	141.6	87%	0.871	70%	0.699	S	S	*	*			trans	77.9	156.1	177.7	77.6	0	0	0	0	116.1
289	S	27.4	Very low	29.2	Very low	53 Å²	53	144.8 Å²	144.8	37%	0.371	70%	0.703	S	S	.	*			cis	-176.7	177.3	-35.7	-173.6	0	0	0	0	106.7	N813	S289-N813 PolarHBondContact OG-OD1 3.41Å
290	R	28.4	Very low	29.4	Very low	160 Å²	160	141.8 Å²	141.8	60%	0.604	70%	0.702	S	S	*	*			trans	68.2	122.9	166.5	-73.5	131	-176.9	-101.4	-4.3	115.7
291	H	29.5	Very low	29.9	Very low	73 Å²	73	144.8 Å²	144.8	34%	0.338	71%	0.709	S	S	.	*			cis	97.6	157.1	47.7	-70.9	-19.1	0	0	0	111.2	N813 H814	H291-N813 PolarHBondContact CE1-O 2.97Å; H291-N813 VanDerWaalsContact CE1-O 3.22Å; H291-H814 AromaticContact CD2-CE1 3.55Å; H291-H814 AromaticContact CD2-ND1 3.74Å; H291-H814 AromaticContact CD2-NE2 3.97Å; H291-H814 AromaticContact CE1-CD2 3.29Å; H291-H814 PolarHBondContact CE1-CD2 2.89Å; H291-H814 AromaticContact CE1-CE1 3.64Å; H291-H814 AromaticContact CE1-CG 3.63Å; H291-H814 AromaticContact CE1-ND1 3.85Å; H291-H814 AromaticContact CE1-NE2 3.3Å; H291-H814 PolarHBondContact CE1-NE2 3.12Å; H291-H814 VanDerWaalsContact CE1-NE2 3.3Å; H291-H814 AromaticContact CG-CE1 3.86Å; H291-H814 AromaticContact CG-NE2 3.97Å; H291-H814 AromaticContact ND1-CE1 3.9Å; H291-H814 AromaticContact ND1-NE2 3.56Å; H291-H814 AromaticContact NE2-CD2 3.57Å; H291-H814 AromaticContact NE2-CE1 3.47Å; H291-H814 PolarHBondContact NE2-CE1 2.78Å; H291-H814 AromaticContact NE2-CG 3.41Å; H291-H814 AromaticContact NE2-ND1 3.36Å; H291-H814 PolarHBondContact NE2-ND1 3.3Å; H291-H814 AromaticContact NE2-NE2 3.61Å
292	Q	32.7	Very low	30.3	Very low	179 Å²	179	145.1 Å²	145.1	84%	0.836	72%	0.718	S	S	*	*			trans	77.8	139.1	173.1	-53.2	-176	0.1	0	0	113.4
293	F	26.1	Very low	30.5	Very low	172 Å²	172	140.6 Å²	140.6	75%	0.754	72%	0.719	S	S	*	*			cis	151.9	150	-14.1	-118.5	-73	0	0	0	102.3
294	L	30.4	Very low	30.7	Very low	152 Å²	152	135.2 Å²	135.2	80%	0.796	72%	0.723	S	S	*	*			trans	68	155.2	167.5	-59.7	160.8	0	0	0	115.3
295	N	26.8	Very low	30.8	Very low	124 Å²	124	135.6 Å²	135.6	66%	0.663	73%	0.728	S	S	*	*			cis	-165.1	176	-36.3	-151.5	-4.8	0	0	0	108.6
296	I	28.3	Very low	31.1	Very low	113 Å²	113	132.6 Å²	132.6	58%	0.579	72%	0.724	S	S	*	*			trans	66.1	112.7	143.4	-79.3	162.3	0	0	0	119.2
297	H	31.5	Very low	31.4	Very low	160 Å²	160	131.5 Å²	131.5	74%	0.741	73%	0.725	S	S	*	*			trans	73.6	149.7	143	-60.5	9.6	0	0	0	118.1
298	D	31.4	Very low	31.6	Very low	127 Å²	127	134 Å²	134	68%	0.679	73%	0.727	S	S	*	*			cis	-150.8	178.2	-4.1	-128.1	-41.6	0	0	0	114.2
299	H	31.5	Very low	31.8	Very low	171 Å²	171	132.9 Å²	132.9	79%	0.792	72%	0.722	S	S	*	*			trans	-73.8	-178.1	176.7	-62.4	-78.3	0	0	0	113.6
300	P	35	Very low	31.8	Very low	123 Å²	123	137.6 Å²	137.6	80%	0.799	74%	0.74	S	S	*	*			cis	-139.9	-178.3	7.4	43.4	-24.1	0	0	0	118.2
301	L	36.8	Very low	31.9	Very low	163 Å²	163	135.9 Å²	135.9	85%	0.853	75%	0.748	S	S	*	*			trans	-83.5	163.6	165.9	-65.1	164.5	0	0	0	111.9
302	P	37.6	Very low	31.9	Very low	128 Å²	128	136.3 Å²	136.3	83%	0.831	76%	0.764	S	S	*	*				-141.5	170.2	96.8	38.5	-25.4	0	0	0	113.3
303	G	31.9	Very low	31.7	Very low	80 Å²	80	134.8 Å²	134.8	83%	0.825	76%	0.761	S	S	*	*			cis	143.6	122.1	-1.9	0	0	0	0	0	111.1
304	G	34.6	Very low	31.7	Very low	82 Å²	82	132.9 Å²	132.9	85%	0.845	76%	0.759	S	S	*	*			trans	179.1	44.4	-171.3	0	0	0	0	0	120
305	I	33.1	Very low	31.6	Very low	162 Å²	162	130.8 Å²	130.8	83%	0.831	76%	0.757	S	S	*	*			trans	-84.2	159.4	160.3	-0.8	176.1	0	0	0	108.3
306	P	34.6	Very low	31.6	Very low	100 Å²	100	131.7 Å²	131.7	65%	0.649	76%	0.76	S	S	*	*				-163.9	175.1	60.6	45.3	-22.9	0	0	0	121.4
307	K	33	Very low	31.5	Very low	197 Å²	197	133.4 Å²	133.4	86%	0.857	77%	0.77	S	S	*	*			trans	85.9	124.6	136.5	-85.5	157.5	-166.3	175.2	0	124
308	M	32.2	Very low	31.2	Very low	153 Å²	153	130.7 Å²	130.7	75%	0.754	77%	0.765	S	S	*	*			trans	-68.5	170.9	149.8	-52.5	165	137	0	0	111.6
309	P	34.4	Very low	31	Very low	119 Å²	119	130.9 Å²	130.9	77%	0.773	77%	0.766	S	S	*	*				-134.2	158.4	83.1	41.2	-29.3	0	0	0	112.2
310	M	28.6	Very low	31	Very low	152 Å²	152	128.3 Å²	128.3	75%	0.749	76%	0.758	S	S	*	*				63.3	110.6	51.4	-87.5	-162.1	77.5	0	0	115.8
311	T	29.3	Very low	30.7	Very low	124 Å²	124	130.2 Å²	130.2	76%	0.761	76%	0.756	S	S	*	*				151.4	153.3	119.6	46.2	0	0	0	0	113.2
312	A	29.2	Very low	30.2	Very low	81 Å²	81	127.9 Å²	127.9	67%	0.669	74%	0.744	S	S	*	*			trans	67.6	145.7	145.2	0	0	0	0	0	120.5
313	N	29.7	Very low	29.8	Very low	147 Å²	147	128 Å²	128	79%	0.786	73%	0.733	S	S	*	*			cis	-156.4	171.7	-12.5	-114	11.8	0	0	0	111.2
314	D	26.8	Very low	29.7	Very low	133 Å²	133	130.7 Å²	130.7	71%	0.711	72%	0.724	S	S	*	*			trans	-59.4	152.8	174.6	-36.3	-91.9	0	0	0	114.2
315	S	27.8	Very low	29.4	Very low	107 Å²	107	133.4 Å²	133.4	75%	0.748	72%	0.717	S	S	*	*			trans	169.4	117.9	131.3	-78.2	0	0	0	0	109.7
316	I	25.4	Very low	29.3	Very low	143 Å²	143	131.2 Å²	131.2	73%	0.733	71%	0.707	S	S	*	*				81.8	133.5	70	-69.9	163.7	0	0	0	112.6
317	L	26.3	Very low	29.1	Very low	149 Å²	149	132 Å²	132	78%	0.78	71%	0.705	S	S	*	*			trans	75.3	132.1	170.7	-107.3	68.8	0	0	0	119.4
318	T	26.4	Very low	29.2	Very low	104 Å²	104	129.8 Å²	129.8	64%	0.638	70%	0.697	S	S	*	*			trans	11	133.9	137.2	56.8	0	0	0	0	118.7
319	D	27.7	Very low	29.4	Very low	131 Å²	131	127.7 Å²	127.7	70%	0.701	69%	0.693	S	S	*	*				-162.2	160.9	86.7	-115.8	-24.1	0	0	0	115.6
320	N	30.5	Very low	29.4	Very low	117 Å²	117	130 Å²	130	63%	0.626	69%	0.691	S	S	*	*			trans	25.4	128.1	154.6	-59.3	-55.2	0	0	0	120
321	H	28.1	Very low	29.9	Very low	163 Å²	163	129 Å²	129	76%	0.755	69%	0.689	S	S	*	*				60.8	141.7	50.5	-162.9	-136.6	0	0	0	112
322	L	27	Very low	30.2	Very low	114 Å²	114	128.4 Å²	128.4	60%	0.597	69%	0.685	S	S	*	*			trans	66.7	147.6	-170.7	-69	58.3	0	0	0	112.7
323	Q	29.7	Very low	30.6	Very low	131 Å²	131	130.3 Å²	130.3	61%	0.612	69%	0.689	S	S	*	*			cis	-164.8	158.9	-9.3	-117.3	165	-2.5	0	0	110.3
324	Q	28.9	Very low	30.5	Very low	136 Å²	136	131 Å²	131	64%	0.636	69%	0.693	S	S	*	*			trans	68.6	153.6	141.7	-69.3	163.7	7	0	0	117.9
325	M	28.9	Very low	30.7	Very low	139 Å²	139	129.9 Å²	129.9	69%	0.685	70%	0.695	S	S	*	*			cis	-154.4	176.2	-8.3	-128.5	153.8	-180	0	0	112.1
326	D	31.6	Very low	30.9	Very low	116 Å²	116	133.8 Å²	133.8	62%	0.62	70%	0.699	S	S	*	*			trans	77.4	103.4	145.1	-70.7	-7.2	0	0	0	122.3
327	N	30.1	Very low	31	Very low	115 Å²	115	137.3 Å²	137.3	62%	0.615	70%	0.703	S	S	*	*				80.6	137.2	113.7	-59.9	-19.6	0	0	0	119.8
328	H	35.5	Very low	31	Very low	151 Å²	151	137 Å²	137	70%	0.699	70%	0.697	S	S	*	*			cis	-166.4	154.7	-12.2	-126.7	-36.3	0	0	0	110.6
329	T	34.9	Very low	31.1	Very low	109 Å²	109	138.6 Å²	138.6	67%	0.669	70%	0.697	S	S	*	*			trans	66	144.1	155.4	59.4	0	0	0	0	118.2
330	K	36.2	Very low	31.1	Very low	167 Å²	167	138 Å²	138	73%	0.726	69%	0.694	S	S	*	*			cis	-158.8	160.1	-0.5	-125.9	170.5	-177.3	-177.2	0	112.8
331	D	37.5	Very low	31.1	Very low	132 Å²	132	139.6 Å²	139.6	71%	0.706	70%	0.702	S	S	*	*			trans	64.9	133.2	153.2	-55.9	-33.7	0	0	0	120
332	T	36.9	Very low	31.1	Very low	111 Å²	111	135.9 Å²	135.9	68%	0.681	70%	0.695	S	S	*	*			cis	-157.2	141.9	-9.8	-113.4	0	0	0	0	112.7
333	T	36.2	Very low	31.2	Very low	122 Å²	122	136.8 Å²	136.8	75%	0.748	70%	0.701	S	S	*	*			trans	24.4	120.8	166.9	61.7	0	0	0	0	120.3
334	N	27.9	Very low	31.1	Very low	162 Å²	162	137.9 Å²	137.9	87%	0.866	71%	0.709	S	S	*	*			cis	76.8	138.2	30.6	-150.5	7.2	0	0	0	115.9
335	S	31.8	Very low	31.1	Very low	108 Å²	108	136.1 Å²	136.1	76%	0.755	71%	0.711	S	S	*	*			trans	-103.1	170.2	-167.3	-47.1	0	0	0	0	115
336	K	31.7	Very low	31	Very low	190 Å²	190	135.4 Å²	135.4	83%	0.826	71%	0.71	S	S	*	*			trans	122.7	142.8	133.2	-164.4	170.1	-175.7	172.4	0	115.5
337	R	27.1	Very low	30.8	Very low	216 Å²	216	133.3 Å²	133.3	82%	0.815	70%	0.704	S	S	*	*			trans	79.6	144.4	-170.3	-62	176.6	-77.5	-151.3	-3	112
338	Q	27	Very low	30.7	Very low	143 Å²	143	136.2 Å²	136.2	67%	0.668	71%	0.714	S	S	*	*			cis	-162.6	173.6	-11.4	-126.1	166.9	-69.2	0	0	109.1
339	H	28.8	Very low	30.4	Very low	137 Å²	137	133.8 Å²	133.8	63%	0.634	71%	0.714	S	S	*	*			trans	68	126.4	157.7	-83.9	-75.2	0	0	0	118.8
340	D	27.7	Very low	30.6	Very low	120 Å²	120	133.2 Å²	133.2	64%	0.642	71%	0.712	S	S	*	*			trans	70	140.6	132.8	-50.5	-11.7	0	0	0	121.3
341	D	29.5	Very low	30.1	Very low	149 Å²	149	132.7 Å²	132.7	80%	0.797	71%	0.71	S	S	*	*			trans	41.9	131.2	133.4	-58.4	-10.9	0	0	0	121
342	S	29	Very low	29.7	Very low	85 Å²	85	130.8 Å²	130.8	59%	0.594	71%	0.712	S	S	*	*			cis	-175.9	171.3	-6.4	57.5	0	0	0	0	109.1
343	N	28.3	Very low	29.2	Very low	134 Å²	134	129.9 Å²	129.9	72%	0.717	70%	0.703	S	S	*	*			trans	62.5	160.5	144	-70.6	-42.8	0	0	0	120.3
344	I	28.5	Very low	28.9	Very low	154 Å²	154	130.2 Å²	130.2	79%	0.79	70%	0.696	S	S	*	*			trans	67.1	110.1	158.2	-69.8	152.2	0	0	0	113.4
345	C	27.1	Very low	29	Very low	99 Å²	99	125.9 Å²	125.9	67%	0.669	68%	0.679	S	S	*	*				58.3	138.7	88.3	-100.9	0	0	0	0	112.8
346	D	28	Very low	28.8	Very low	124 Å²	124	127 Å²	127	66%	0.663	67%	0.671	S	S	*	*			cis	-163.4	167	33.1	-140.1	-53.8	0	0	0	113.2
347	S	26.4	Very low	28.5	Very low	72 Å²	72	125.8 Å²	125.8	50%	0.503	67%	0.665	S	S	.	*			trans	54.6	129.7	138.3	-82.3	0	0	0	0	123.6
348	Q	29	Very low	28.6	Very low	176 Å²	176	120.8 Å²	120.8	82%	0.822	66%	0.659	S	S	*	*			trans	70.9	145.2	131.6	-63.6	165.2	54.4	0	0	118.4
349	S	28.2	Very low	28.7	Very low	99 Å²	99	120 Å²	120	69%	0.692	66%	0.659	S	S	*	*			cis	175.8	175.8	-14.3	65.2	0	0	0	0	104.1
350	P	39.5	Very low	28.8	Very low	97 Å²	97	119.1 Å²	119.1	63%	0.63	66%	0.659	S	S	*	*			trans	-94.7	178.9	-164.2	39.4	-36.6	0	0	0	113.2
351	F	26.1	Very low	28.8	Very low	156 Å²	156	118.4 Å²	118.4	68%	0.684	66%	0.655	S	S	*	*				173.9	152.3	116.7	-100.8	-71.2	0	0	0	112.2
352	A	28.4	Very low	28.9	Very low	92 Å²	92	114.9 Å²	114.9	76%	0.76	64%	0.637	S	S	*	*			trans	62.1	149.9	144.5	0	0	0	0	0	121.2
353	N	27.1	Very low	29	Very low	92 Å²	92	115.5 Å²	115.5	49%	0.492	63%	0.633	S	S	.	*			cis	-166.3	166.5	-31.1	-154.4	-7.7	0	0	0	108.6	Q1058	N353-Q1058 PolarHBondContact ND2-OE1 2.92Å; N353-Q1058 PolarHBondContact OD1-NE2 3.41Å; N353-Q1058 PolarHBondContact OD1-OE1 3.15Å
354	Q	29.1	Very low	29.4	Very low	129 Å²	129	113.3 Å²	113.3	60%	0.603	63%	0.626	S	S	*	*			trans	57.8	110.4	158.2	-68.8	167.3	22.7	0	0	117.4
355	S	31	Very low	29.8	Very low	72 Å²	72	114.3 Å²	114.3	50%	0.503	63%	0.627	S	S	.	*				62.6	138.5	76.5	77.8	0	0	0	0	114.1	K1057	S355-K1057 PolarHBondContact OG-NZ 2.94Å; S355-K1057 VanDerWaalsContact OG-NZ 3.15Å
356	F	26.4	Very low	30.2	Very low	132 Å²	132	114.6 Å²	114.6	58%	0.579	63%	0.628	S	S	*	*				-175.1	161.4	61.7	-118.8	-52.1	0	0	0	113.5
357	F	27	Very low	30.3	Very low	163 Å²	163	114.3 Å²	114.3	72%	0.715	63%	0.63	S	S	*	*			trans	67.6	152.4	147.9	-65.4	-42.7	0	0	0	121.4
358	V	29.4	Very low	30.5	Very low	111 Å²	111	116.4 Å²	116.4	67%	0.673	64%	0.636	S	S	*	*			cis	-166.8	154	-27.8	71.5	0	0	0	0	112.9
359	N	28.6	Very low	30.6	Very low	126 Å²	126	112.7 Å²	112.7	67%	0.674	63%	0.629	S	S	*	*			trans	61.5	131.8	152.7	-94.6	15.2	0	0	0	124.3
360	N	29.8	Very low	30.9	Very low	120 Å²	120	110.9 Å²	110.9	64%	0.642	62%	0.617	S	S	*	*				40.3	145.1	117.4	-55.2	7.1	0	0	0	120.9
361	N	29.1	Very low	30.6	Very low	105 Å²	105	109.6 Å²	109.6	56%	0.561	61%	0.61	S	S	*	*			cis	-165.1	-175.4	-8.3	-104.8	2.3	0	0	0	107.3	Q946	N361-Q946 PolarHBondContact ND2-O 3.29Å
362	N	31.4	Very low	31.2	Very low	75 Å²	75	110.3 Å²	110.3	40%	0.401	62%	0.616	S	S	.	*			trans	120.2	114.7	147.7	-55.3	-17.6	0	0	0	117.5	Q945 Q946	N362-Q945 PolarHBondContact ND2-OE1 3.25Å; N362-Q946 HydrophobicContact CB-CG 4.15Å; N362-Q946 VanDerWaalsContact CG-CD 3.44Å; N362-Q946 WeakPolarHBondContact OD1-CB 3.27Å; N362-Q946 WeakPolarHBondContact OD1-CG 3.47Å
363	N	30.9	Very low	31.4	Very low	98 Å²	98	112.1 Å²	112.1	52%	0.524	61%	0.611	S	S	.	*			trans	-79	174.1	168.4	-107.3	3.6	0	0	0	112.3	Q946 P948	N363-Q946 PolarHBondContact O-NE2 2.74Å; N363-P948 HydrophobicContact CB-CG 3.74Å; N363-P948 WeakPolarHBondContact ND2-CG 3.45Å
364	P	36.1	Very low	31.5	Very low	88 Å²	88	114.8 Å²	114.8	57%	0.571	63%	0.625	S	S	*	*			cis	-142.7	-176.5	-36.5	37.8	-19.2	0	0	0	114.5
365	H	36.4	Very low	31.6	Very low	174 Å²	174	113.6 Å²	113.6	81%	0.806	63%	0.626	S	S	*	*			trans	69.4	154.8	159.7	-72.2	-59.3	0	0	0	119.7
366	P	35.7	Very low	31.6	Very low	105 Å²	105	118 Å²	118	68%	0.682	64%	0.639	S	S	*	*			cis	-142.2	-163.7	-35.9	40.1	-21.1	0	0	0	114.7
367	V	30	Very low	31.7	Very low	118 Å²	118	117.6 Å²	117.6	72%	0.715	65%	0.647	S	S	*	*			trans	76.9	97	159.9	-67.6	0	0	0	0	123
368	N	30.5	Very low	32	Very low	116 Å²	116	115 Å²	115	62%	0.62	65%	0.647	S	S	*	*				53.1	131.8	123.7	-55.9	-0.7	0	0	0	122.5
369	S	32.8	Very low	31.9	Very low	98 Å²	98	117 Å²	117	69%	0.685	65%	0.652	S	S	*	*				176.7	125.2	103.4	-74.3	0	0	0	0	114.1	S1177	S369-S1177 CarbonylContact C-O 3.36Å; S369-S1177 VanDerWaalsContact C-O 3.23Å; S369-S1177 VanDerWaalsContact CA-O 3.26Å; S369-S1177 WeakPolarHBondContact CA-O 3.38Å; S369-S1177 PolarHBondContact N-O 2.65Å
370	S	34.2	Very low	31.8	Very low	61 Å²	61	117.1 Å²	117.1	43%	0.427	66%	0.658	S	S	.	*			trans	37.5	148	137.2	-79.9	0	0	0	0	123.2	L1176 S1177	S370-L1176 PolarHBondContact N-O 3.37Å; S370-L1176 PolarHBondContact OG-O 2.76Å; S370-S1177 PolarHBondContact N-O 3.16Å
371	S	33.2	Very low	31.9	Very low	70 Å²	70	117.8 Å²	117.8	49%	0.49	67%	0.672	S	S	.	*			cis	-177.3	174.2	-4.2	-99.4	0	0	0	0	110.9
372	Q	38	Very low	31.9	Very low	172 Å²	172	117.9 Å²	117.9	80%	0.804	68%	0.68	S	S	*	*			trans	83.3	147	160.5	-49.8	-161.9	13.1	0	0	118.7
373	I	32.2	Very low	31.8	Very low	129 Å²	129	120.4 Å²	120.4	66%	0.662	70%	0.704	S	S	*	*			cis	-162.7	142.9	-14.3	-115	172.6	0	0	0	111.2
374	L	29.3	Very low	31.7	Very low	149 Å²	149	119 Å²	119	78%	0.78	71%	0.713	S	S	*	*			trans	54	154.6	162.2	-86.5	54.9	0	0	0	119.4
375	T	31.1	Very low	31.3	Very low	104 Å²	104	122.7 Å²	122.7	64%	0.638	73%	0.726	S	S	*	*			cis	-154.5	146.9	10.9	-8.9	0	0	0	0	112.2
376	Q	30.9	Very low	30.7	Very low	164 Å²	164	120.5 Å²	120.5	77%	0.766	73%	0.725	S	S	*	*			trans	48.1	99.9	146.2	-75.4	175.6	93.9	0	0	120.5
377	T	29	Very low	30.4	Very low	124 Å²	124	123.4 Å²	123.4	76%	0.761	73%	0.732	S	S	*	*				76	148.3	90.5	54.2	0	0	0	0	117.5
378	P	32.9	Very low	30.2	Very low	109 Å²	109	126.8 Å²	126.8	71%	0.708	74%	0.74	S	S	*	*			cis	-135.4	-155.4	-8.7	37.5	-15.6	0	0	0	114.2
379	I	27.4	Very low	30	Very low	151 Å²	151	126 Å²	126	77%	0.774	74%	0.743	S	S	*	*			trans	74.5	125.6	160.8	52.1	173.5	0	0	0	123.4
380	T	27.6	Very low	29.6	Very low	130 Å²	130	127.6 Å²	127.6	80%	0.798	75%	0.749	S	S	*	*			trans	62.1	97.7	150.2	53	0	0	0	0	121.6
381	S	31.7	Very low	29.1	Very low	133 Å²	133	131.4 Å²	131.4	93%	0.93	76%	0.764	S	S	*	*			trans	-168.2	173.4	131.4	32.9	0	0	0	0	110.3
382	S	28.2	Very low	28.6	Very low	107 Å²	107	133 Å²	133	75%	0.748	78%	0.775	S	S	*	*			trans	-122.2	165	-164.3	55.4	0	0	0	0	114.5
383	S	29.8	Very low	27.9	Very low	129 Å²	129	130.7 Å²	130.7	90%	0.902	77%	0.773	S	S	*	*			trans	79.4	141.6	-174.6	-34.5	0	0	0	0	113.9
384	G	29	Very low	27.5	Very low	69 Å²	69	128.9 Å²	128.9	71%	0.711	77%	0.772	S	S	*	*			cis	-177	172.2	-5.8	0	0	0	0	0	113.1
385	I	26.4	Very low	27.3	Very low	164 Å²	164	128.3 Å²	128.3	84%	0.841	77%	0.769	S	S	*	*			trans	-13.7	130.9	162	-13.4	178	0	0	0	113.9
386	T	24.9	Very low	27	Very low	128 Å²	128	129.6 Å²	129.6	79%	0.785	77%	0.773	S	S	*	*				-171.4	164.7	65.2	-51.4	0	0	0	0	113.5
387	M	29.1	Very low	26.8	Very low	166 Å²	166	128.5 Å²	128.5	82%	0.818	77%	0.77	S	S	*	*			trans	-61.8	154.2	-179.6	-42	-163.8	-56.4	0	0	116.5
388	Q	25.4	Very low	26.7	Very low	190 Å²	190	129.7 Å²	129.7	89%	0.888	77%	0.772	S	S	*	*				-173	125.5	128	-101.9	165.3	38.7	0	0	109.8
389	S	26.5	Very low	26.5	Very low	99 Å²	99	131 Å²	131	69%	0.692	77%	0.773	S	S	*	*				71.2	106.4	88.7	172.9	0	0	0	0	115.8
390	V	24.2	Very low	26.6	Very low	132 Å²	132	126.7 Å²	126.7	80%	0.8	76%	0.756	S	S	*	*				-164.1	125.5	122	-96.7	0	0	0	0	113
391	N	23.5	Very low	26.8	Very low	140 Å²	140	130.2 Å²	130.2	75%	0.749	76%	0.761	S	S	*	*			trans	32.6	127.7	134.6	-63.2	2.5	0	0	0	123.1
392	S	23.6	Very low	26.7	Very low	103 Å²	103	129.4 Å²	129.4	72%	0.72	75%	0.745	S	S	*	*				93	141.1	129.5	-67.2	0	0	0	0	122.2
393	T	23.4	Very low	26.9	Very low	124 Å²	124	130.9 Å²	130.9	76%	0.761	74%	0.739	S	S	*	*			trans	63.2	95.7	150.2	44.2	0	0	0	0	119.5
394	S	23.7	Very low	26.9	Very low	91 Å²	91	128.4 Å²	128.4	64%	0.636	72%	0.722	S	S	*	*				68.4	154.5	124.2	62.7	0	0	0	0	120.6
395	N	25.1	Very low	27	Very low	137 Å²	137	130.8 Å²	130.8	73%	0.733	72%	0.718	S	S	*	*			trans	74.5	138.5	168.6	-49.8	-30.7	0	0	0	115.1
396	N	25.1	Very low	27.1	Very low	132 Å²	132	129.1 Å²	129.1	71%	0.706	71%	0.711	S	S	*	*			cis	-166.8	172.4	-27.5	-124.9	-26.6	0	0	0	107.3
397	I	27.4	Very low	27.2	Very low	140 Å²	140	128.7 Å²	128.7	72%	0.718	70%	0.703	S	S	*	*			trans	68.1	104.8	170.3	-54.2	134.3	0	0	0	112.3	L399	I397-L399 HydrophobicContact CG2-CD1 3.85Å
398	D	26.6	Very low	27.1	Very low	150 Å²	150	127.3 Å²	127.3	80%	0.802	69%	0.694	S	S	*	*			cis	70.2	169.8	42.6	-156.8	19.1	0	0	0	114.1
399	L	27.7	Very low	27.1	Very low	136 Å²	136	125.8 Å²	125.8	71%	0.712	69%	0.687	S	S	*	*			trans	82.9	132.5	-173.2	-73.2	84.9	0	0	0	116.9	I397	I397-L399 HydrophobicContact CG2-CD1 3.85Å
400	S	29.5	Very low	27	Very low	60 Å²	60	125.8 Å²	125.8	42%	0.42	68%	0.683	S	S	.	*			cis	175	142	-32.8	41.7	0	0	0	0	108.6
401	F	32.2	Very low	27.2	Very low	205 Å²	205	127.3 Å²	127.3	90%	0.899	68%	0.681	S	S	*	*			trans	179.9	85.8	145.7	-97.3	-63.8	0	0	0	106
402	I	29.7	Very low	27.5	Very low	116 Å²	116	129.4 Å²	129.4	60%	0.595	69%	0.686	S	S	*	*				58.4	100.1	58.1	-53.4	-177.3	0	0	0	112.7
403	H	32.1	Very low	27.6	Very low	138 Å²	138	128.6 Å²	128.6	64%	0.639	68%	0.681	S	S	*	*				-167.1	139.8	114.6	-113.9	-101.2	0	0	0	108.4	Q269	Q269-H403 PolarHBondContact NE2-CE1 3.28Å; Q269-H403 VanDerWaalsContact NE2-CE1 3.3Å; Q269-H403 PolarHBondContact NE2-ND1 3.22Å; Q269-H403 PolarHBondContact OE1-CE1 3.39Å
404	S	30.3	Very low	27.8	Very low	76 Å²	76	128.8 Å²	128.8	53%	0.531	68%	0.677	S	S	.	*			cis	169	155.4	-22.8	-99.9	0	0	0	0	106.5
405	L	31.3	Very low	28.2	Very low	119 Å²	119	131.1 Å²	131.1	62%	0.623	68%	0.683	S	S	*	*			trans	108.8	110.4	163	-56.7	177	0	0	0	114.4	L272	L272-L405 HydrophobicContact CD2-CD1 4.42Å
406	N	27.5	Very low	28.5	Very low	130 Å²	130	131 Å²	131	70%	0.695	68%	0.681	S	S	*	*				87.9	136.6	52.4	-81.3	4.5	0	0	0	112.7
407	L	26.9	Very low	28.7	Very low	119 Å²	119	131 Å²	131	62%	0.623	68%	0.68	S	S	*	*			cis	-164.9	169.3	-10.1	-164.9	53.2	0	0	0	109.7
408	Q	27.3	Very low	29	Very low	136 Å²	136	131.8 Å²	131.8	64%	0.636	68%	0.678	S	S	*	*			trans	66.3	122.1	147.1	-98.6	150.6	4.9	0	0	120.7
409	Q	26.1	Very low	29.2	Very low	159 Å²	159	131.9 Å²	131.9	74%	0.743	67%	0.674	S	S	*	*				56.7	156.5	112.2	-67.6	179.7	13.8	0	0	119.9
410	T	24.6	Very low	29.4	Very low	98 Å²	98	129.7 Å²	129.7	60%	0.601	67%	0.669	S	S	*	*			cis	-153.9	153.8	5.9	2.8	0	0	0	0	110.2
411	H	27.6	Very low	29.4	Very low	165 Å²	165	133.2 Å²	133.2	76%	0.764	68%	0.684	S	S	*	*			trans	39.9	117.7	142.6	-61.8	-160.3	0	0	0	120.6
412	Q	30	Very low	29.3	Very low	183 Å²	183	129.9 Å²	129.9	86%	0.855	68%	0.675	S	S	*	*				166.8	104.4	122.7	-90.7	162.5	17.6	0	0	106.8
413	S	25.5	Very low	29.4	Very low	86 Å²	86	131.7 Å²	131.7	60%	0.601	69%	0.686	S	S	*	*			cis	73.1	143.8	48.3	89.5	0	0	0	0	114.1
414	D	27.3	Very low	29.1	Very low	128 Å²	128	132 Å²	132	68%	0.684	69%	0.692	S	S	*	*			trans	65.1	105.3	163.8	-46.1	-52.5	0	0	0	117.6
415	N	32.4	Very low	29.1	Very low	141 Å²	141	135.4 Å²	135.4	75%	0.754	71%	0.705	S	S	*	*				164.2	131.6	114.6	-81.1	-42.9	0	0	0	110.3
416	L	30.8	Very low	28.9	Very low	133 Å²	133	135.5 Å²	135.5	70%	0.696	71%	0.712	S	S	*	*			cis	-156.9	147.5	-7.5	-87.8	168.6	0	0	0	108.1
417	I	29.5	Very low	29.1	Very low	133 Å²	133	135.1 Å²	135.1	68%	0.682	72%	0.717	S	S	*	*			trans	53.3	127.8	132.2	-63.1	-178.5	0	0	0	118.2
418	K	34	Very low	29	Very low	157 Å²	157	139.1 Å²	139.1	68%	0.683	73%	0.729	S	S	*	*			cis	-159.2	163.8	38.1	-147	148.1	-166.6	173.6	0	115.1
419	E	31.6	Very low	29	Very low	152 Å²	152	140.3 Å²	140.3	71%	0.71	74%	0.738	S	S	*	*			trans	-11.5	162.1	153.5	-62.1	137.9	-141.6	0	0	120.4
420	S	30.7	Very low	29	Very low	89 Å²	89	139.5 Å²	139.5	62%	0.622	74%	0.739	S	S	*	*			cis	-175.9	165.4	-22.7	63.8	0	0	0	0	109.6
421	N	30.7	Very low	29	Very low	135 Å²	135	145.2 Å²	145.2	72%	0.722	75%	0.75	S	S	*	*			trans	57.9	121.7	156.2	-69.3	-41.9	0	0	0	120.8
422	N	28.6	Very low	29.3	Very low	134 Å²	134	143.4 Å²	143.4	72%	0.717	75%	0.751	S	S	*	*			trans	35.3	111.6	135.2	-57.8	-14.8	0	0	0	119
423	N	32.1	Very low	29.3	Very low	154 Å²	154	142.8 Å²	142.8	82%	0.824	75%	0.751	S	S	*	*				-171.9	162	98	-97.6	-53.1	0	0	0	113.9	N425	N423-N425 PolarHBondContact O-N 3.21Å
424	N	27.3	Very low	29.7	Very low	144 Å²	144	149.7 Å²	149.7	77%	0.77	76%	0.764	S	S	*	*			trans	-60.7	118.6	-175.8	-57.1	-64.4	0	0	0	113.9
425	N	30.3	Very low	30.2	Very low	149 Å²	149	152.9 Å²	152.9	80%	0.797	77%	0.772	S	S	*	*			trans	-178.4	144	137	-98.8	-48.7	0	0	0	111.1	N423 P427	N423-N425 PolarHBondContact O-N 3.21Å; N425-P427 VanDerWaalsContact O-CD 3.32Å; N425-P427 WeakPolarHBondContact O-CD 3.41Å
426	P	26.5	Very low	30.7	Very low	120 Å²	120	155.5 Å²	155.5	78%	0.779	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-85.3	116.2	177.9	31.9	-32	0	0	0	112.5
427	P	30.6	Very low	31.6	Very low	123 Å²	123	153.7 Å²	153.7	80%	0.799	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-86.2	136.2	176.5	-4.6	24.8	0	0	0	111.7	N425	N425-P427 VanDerWaalsContact O-CD 3.32Å; N425-P427 WeakPolarHBondContact O-CD 3.41Å
428	K	25.1	Very low	33	Very low	202 Å²	202	150.5 Å²	150.5	88%	0.878	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-76.9	144.6	163.6	-55.6	171	-177.6	176	0	109.1
429	I	27.6	Very low	35	Very low	161 Å²	161	146.6 Å²	146.6	83%	0.826	75%	0.745	S	S	*	*			trans	-159.5	152.2	152.4	-104.1	144	0	0	0	111.1
430	N	26.9	Very low	36.9	Very low	142 Å²	142	140.9 Å²	140.9	76%	0.759	72%	0.724	S	S	*	*			trans	-42.7	146.2	-167.9	-59	-34.3	0	0	0	118.2
431	W	25.1	Very low	38.7	Very low	218 Å²	218	143 Å²	143	83%	0.826	72%	0.724	S	S	*	*			trans	-87.6	121.8	145.3	-68.1	-13.4	0	0	0	109.2
432	T	32.8	Very low	41	Very low	128 Å²	128	139.8 Å²	139.8	79%	0.785	71%	0.712	S	S	*	*			trans	-73.5	138.6	166	32.3	0	0	0	0	110	R434	T432-R434 PolarHBondContact O-N 3.03Å
433	I	30.9	Very low	43.4	Very low	169 Å²	169	136.2 Å²	136.2	87%	0.867	69%	0.693	S	S	*	*			trans	-64.7	107.5	-177.1	-59.5	166.1	0	0	0	109.3
434	R	32.7	Very low	45.4	Very low	231 Å²	231	132.5 Å²	132.5	87%	0.872	68%	0.677	S	S	*	*			trans	-78.2	131.5	154.5	-80.1	-171.7	172.8	-173.6	-2.1	107.5	T432 Q436	T432-R434 PolarHBondContact O-N 3.03Å; R434-Q436 PolarHBondContact O-N 2.8Å
435	K	38	Very low	47.6	Very low	195 Å²	195	130.1 Å²	130.1	85%	0.848	67%	0.668	S	S	*	*			trans	-54.3	129.2	173	-64.2	-174.4	175.2	-169.1	0	108.9	T437	K435-T437 PolarHBondContact O-N 2.82Å
436	Q	43	Very low	49.7	Very low	197 Å²	197	125.1 Å²	125.1	92%	0.921	65%	0.645	S	S	*	*			trans	-66.6	114.3	157.5	-76.5	176.4	-66.4	0	0	106.3	R434 N438	R434-Q436 PolarHBondContact O-N 2.8Å; Q436-N438 PolarHBondContact O-N 3.4Å
437	T	49.6	Very low	52.1	Low	94 Å²	94	122.7 Å²	122.7	58%	0.577	62%	0.622	S	S	*	*			trans	-62.7	132.5	166.4	46.3	0	0	0	0	107.8	K435 L439	K435-T437 PolarHBondContact O-N 2.82Å; T437-L439 PolarHBondContact O-N 3.04Å
438	N	59.2	Low	54.4	Low	67 Å²	67	120.1 Å²	120.1	36%	0.358	60%	0.604	S	S	.	*			trans	-62.9	138.4	177.9	-176.5	-16.9	0	0	0	108.4	Q436 A440 E441 S442	Q436-N438 PolarHBondContact O-N 3.4Å; N438-A440 PolarHBondContact O-N 3.26Å; N438-A440 VanDerWaalsContact O-N 3.16Å; N438-A440 PolarHBondContact OD1-N 2.79Å; N438-A440 VanDerWaalsContact OD1-N 3.11Å; N438-E441 HydrophobicContact CB-CB 4.37Å; N438-E441 HydrophobicContact CB-CG 3.94Å; N438-E441 WeakPolarHBondContact CB-OE2 3.49Å; N438-E441 PolarHBondContact N-OE2 2.83Å; N438-E441 VanDerWaalsContact N-OE2 3.12Å; N438-E441 WeakPolarHBondContact O-CA 3.36Å; N438-E441 WeakPolarHBondContact O-CB 3.44Å; N438-E441 PolarHBondContact O-N 3.12Å; N438-S442 PolarHBondContact O-N 3.04Å; N438-S442 PolarHBondContact O-OG 2.78Å
439	L	75.4	Confident	56.7	Low	74 Å²	74	116.7 Å²	116.7	39%	0.387	59%	0.591	S	S	.	*	H	α-helix	trans	-57.7	-33.5	179.5	-137.8	81.2	0	0	0	111	T437 E441 S442 D443 F447 L450	T437-L439 PolarHBondContact O-N 3.04Å; L439-E441 PolarHBondContact O-N 2.91Å; L439-S442 PolarHBondContact O-N 3.22Å; L439-D443 CarbonylContact O-C 3.59Å; L439-D443 WeakPolarHBondContact O-CA 3.43Å; L439-D443 PolarHBondContact O-N 2.68Å; L439-F447 HydrophobicContact CB-CB 4.32Å; L439-F447 HydrophobicContact CB-CD2 4.29Å; L439-L450 HydrophobicContact CD2-CD2 4.03Å
440	A	71.8	Confident	59.1	Low	32 Å²	32	112.7 Å²	112.7	26%	0.264	57%	0.571	S	S	.	*	H	α-helix	trans	-65.5	-21.2	174.6	0	0	0	0	0	114.4	N438 F447	N438-A440 PolarHBondContact O-N 3.26Å; N438-A440 VanDerWaalsContact O-N 3.16Å; N438-A440 PolarHBondContact OD1-N 2.79Å; N438-A440 VanDerWaalsContact OD1-N 3.11Å; A440-F447 HydrophobicContact CB-CB 4.36Å; A440-F447 HydrophobicContact CB-CD1 3.83Å; A440-F447 HydrophobicContact CB-CD2 4Å; A440-F447 HydrophobicContact CB-CE1 4.1Å; A440-F447 HydrophobicContact CB-CE2 4.25Å; A440-F447 HydrophobicContact CB-CG 3.78Å; A440-F447 HydrophobicContact CB-CZ 4.3Å
441	E	68.4	Low	61.5	Low	133 Å²	133	108 Å²	108	62%	0.621	55%	0.546	S	S	*	.	H	α-helix	trans	-92	-42.5	174.7	-64	169.9	150.7	0	0	111.8	N438 L439	N438-E441 HydrophobicContact CB-CB 4.37Å; N438-E441 HydrophobicContact CB-CG 3.94Å; N438-E441 WeakPolarHBondContact CB-OE2 3.49Å; N438-E441 PolarHBondContact N-OE2 2.83Å; N438-E441 VanDerWaalsContact N-OE2 3.12Å; N438-E441 WeakPolarHBondContact O-CA 3.36Å; N438-E441 WeakPolarHBondContact O-CB 3.44Å; N438-E441 PolarHBondContact O-N 3.12Å; L439-E441 PolarHBondContact O-N 2.91Å
442	S	79.2	Confident	64	Low	69 Å²	69	101.3 Å²	101.3	48%	0.483	53%	0.528	S	S	.	.	H	α-helix	trans	-83.6	-35.2	-173.8	61.2	0	0	0	0	113.9	N438 L439	N438-S442 PolarHBondContact O-N 3.04Å; N438-S442 PolarHBondContact O-OG 2.78Å; L439-S442 PolarHBondContact O-N 3.22Å
443	D	78.8	Confident	66.1	Low	59 Å²	59	98.7 Å²	98.7	32%	0.316	51%	0.51	S	S	.	.			trans	-153	87.6	174.1	-177.4	-6.1	0	0	0	110.3	L439 V445 S446 F447	L439-D443 CarbonylContact O-C 3.59Å; L439-D443 WeakPolarHBondContact O-CA 3.43Å; L439-D443 PolarHBondContact O-N 2.68Å; D443-V445 PolarHBondContact O-N 3.2Å; D443-V445 VanDerWaalsContact O-N 3.15Å; D443-V445 WeakPolarHBondContact OD1-CA 3.2Å; D443-V445 WeakPolarHBondContact OD1-CB 3.08Å; D443-V445 PolarHBondContact OD1-N 3.26Å; D443-S446 VanDerWaalsContact CG-CB 3.48Å; D443-S446 PolarHBondContact O-N 3.25Å; D443-S446 PolarHBondContact OD1-N 2.97Å; D443-S446 WeakPolarHBondContact OD2-CB 3.33Å; D443-S446 PolarHBondContact OD2-OG 3.36Å; D443-F447 PolarHBondContact O-N 3.31Å
444	P	73.9	Confident	68	Low	75 Å²	75	96.2 Å²	96.2	49%	0.487	49%	0.489	S	S	.	.	H	α-helix	trans	-62.6	-18.6	177.7	24.8	-33.9	0	0	0	113.5	V448	P444-V448 WeakPolarHBondContact O-CB 3.41Å; P444-V448 VanDerWaalsContact O-CG2 3.25Å; P444-V448 WeakPolarHBondContact O-CG2 3.35Å; P444-V448 PolarHBondContact O-N 3.49Å
445	V	73.8	Confident	70	Confident	94 Å²	94	89.2 Å²	89.2	57%	0.57	47%	0.469	S	S	*	.	H	α-helix	trans	-75.6	-49.2	175.8	-175.5	0	0	0	0	109.8	D443 F447 V448 Q449	D443-V445 PolarHBondContact O-N 3.2Å; D443-V445 VanDerWaalsContact O-N 3.15Å; D443-V445 WeakPolarHBondContact OD1-CA 3.2Å; D443-V445 WeakPolarHBondContact OD1-CB 3.08Å; D443-V445 PolarHBondContact OD1-N 3.26Å; V445-F447 VanDerWaalsContact C-N 3.28Å; V445-F447 PolarHBondContact O-N 3.38Å; V445-V448 PolarHBondContact O-N 3.02Å; V445-Q449 WeakPolarHBondContact O-CG 3.4Å; V445-Q449 PolarHBondContact O-N 3.01Å
446	S	74.6	Confident	71.7	Confident	45 Å²	45	85.4 Å²	85.4	32%	0.315	45%	0.454	S	S	.	.	H	α-helix	trans	-60.2	-37.9	171.9	-73	0	0	0	0	112	D443 Q449 L450	D443-S446 VanDerWaalsContact CG-CB 3.48Å; D443-S446 PolarHBondContact O-N 3.25Å; D443-S446 PolarHBondContact OD1-N 2.97Å; D443-S446 WeakPolarHBondContact OD2-CB 3.33Å; D443-S446 PolarHBondContact OD2-OG 3.36Å; S446-Q449 PolarHBondContact O-N 3.08Å; S446-L450 VanDerWaalsContact O-CB 3.29Å; S446-L450 WeakPolarHBondContact O-CB 3.47Å; S446-L450 PolarHBondContact O-N 3.06Å
447	F	76.9	Confident	73.2	Confident	69 Å²	69	81.3 Å²	81.3	30%	0.303	43%	0.433	S	S	.	.	H	α-helix	trans	-62	-46.3	173.7	177.9	-102.7	0	0	0	112.4	L439 A440 D443 V445 Q449 L450 L451	L439-F447 HydrophobicContact CB-CB 4.32Å; L439-F447 HydrophobicContact CB-CD2 4.29Å; A440-F447 HydrophobicContact CB-CB 4.36Å; A440-F447 HydrophobicContact CB-CD1 3.83Å; A440-F447 HydrophobicContact CB-CD2 4Å; A440-F447 HydrophobicContact CB-CE1 4.1Å; A440-F447 HydrophobicContact CB-CE2 4.25Å; A440-F447 HydrophobicContact CB-CG 3.78Å; A440-F447 HydrophobicContact CB-CZ 4.3Å; D443-F447 PolarHBondContact O-N 3.31Å; V445-F447 VanDerWaalsContact C-N 3.28Å; V445-F447 PolarHBondContact O-N 3.38Å; F447-Q449 PolarHBondContact O-N 3.43Å; F447-L450 PolarHBondContact O-N 2.78Å; F447-L451 HydrophobicContact CE1-CD2 4.48Å; F447-L451 VanDerWaalsContact O-CB 3.26Å; F447-L451 WeakPolarHBondContact O-CB 3.31Å; F447-L451 PolarHBondContact O-N 3.01Å
448	V	77.8	Confident	74.2	Confident	69 Å²	69	80.7 Å²	80.7	42%	0.418	43%	0.429	S	S	.	.	H	α-helix	trans	-66.1	-36.2	177.6	167.1	0	0	0	0	111.8	P444 V445 T452	P444-V448 WeakPolarHBondContact O-CB 3.41Å; P444-V448 VanDerWaalsContact O-CG2 3.25Å; P444-V448 WeakPolarHBondContact O-CG2 3.35Å; P444-V448 PolarHBondContact O-N 3.49Å; V445-V448 PolarHBondContact O-N 3.02Å; V448-T452 WeakPolarHBondContact O-CB 3.3Å; V448-T452 PolarHBondContact O-N 2.88Å; V448-T452 PolarHBondContact O-OG1 2.94Å
449	Q	74.6	Confident	74.8	Confident	129 Å²	129	82 Å²	82	60%	0.603	43%	0.432	S	S	*	.	H	α-helix	trans	-64.2	-50.1	173	-74.1	-178.1	-9.5	0	0	111.7	V445 S446 F447 L451 T452 D453	V445-Q449 WeakPolarHBondContact O-CG 3.4Å; V445-Q449 PolarHBondContact O-N 3.01Å; S446-Q449 PolarHBondContact O-N 3.08Å; F447-Q449 PolarHBondContact O-N 3.43Å; Q449-L451 VanDerWaalsContact C-N 3.34Å; Q449-L451 PolarHBondContact O-N 3.27Å; Q449-T452 WeakPolarHBondContact O-CB 3.32Å; Q449-T452 PolarHBondContact O-N 3.38Å; Q449-T452 VanDerWaalsContact O-N 3.11Å; Q449-D453 PolarHBondContact O-N 3.47Å
450	L	77.2	Confident	74.7	Confident	77 Å²	77	83.9 Å²	83.9	40%	0.403	44%	0.439	S	S	.	.	H	α-helix	trans	-60.7	-40.6	178.1	-179.1	63.7	0	0	0	112.3	L439 S446 F447 R454	L439-L450 HydrophobicContact CD2-CD2 4.03Å; S446-L450 VanDerWaalsContact O-CB 3.29Å; S446-L450 WeakPolarHBondContact O-CB 3.47Å; S446-L450 PolarHBondContact O-N 3.06Å; F447-L450 PolarHBondContact O-N 2.78Å; L450-R454 WeakPolarHBondContact O-CB 3.5Å; L450-R454 PolarHBondContact O-N 3.14Å
451	L	78.7	Confident	74.6	Confident	45 Å²	45	84 Å²	84	24%	0.236	44%	0.437	C	S	.	.	H	α-helix	trans	-63.9	-41	174.3	-171.8	73.5	0	0	0	111.3	F447 Q449 L455 T787 V791	F447-L451 HydrophobicContact CE1-CD2 4.48Å; F447-L451 VanDerWaalsContact O-CB 3.26Å; F447-L451 WeakPolarHBondContact O-CB 3.31Å; F447-L451 PolarHBondContact O-N 3.01Å; Q449-L451 VanDerWaalsContact C-N 3.34Å; Q449-L451 PolarHBondContact O-N 3.27Å; L451-L455 HydrophobicContact CG-CD1 4.1Å; L451-L455 WeakPolarHBondContact O-CB 3.45Å; L451-L455 VanDerWaalsContact O-CG 3.22Å; L451-L455 WeakPolarHBondContact O-CG 2.98Å; L451-L455 PolarHBondContact O-N 3.47Å; L451-T787 HydrophobicContact CD2-CG2 4.22Å; L451-V791 HydrophobicContact CD2-CG2 3.98Å
452	T	77.8	Confident	75	Confident	76 Å²	76	83.8 Å²	83.8	47%	0.466	43%	0.431	S	S	.	.	H	α-helix	trans	-66.5	-47	179.2	-59.3	0	0	0	0	111.5	V448 Q449 L455 E456	V448-T452 WeakPolarHBondContact O-CB 3.3Å; V448-T452 PolarHBondContact O-N 2.88Å; V448-T452 PolarHBondContact O-OG1 2.94Å; Q449-T452 WeakPolarHBondContact O-CB 3.32Å; Q449-T452 PolarHBondContact O-N 3.38Å; Q449-T452 VanDerWaalsContact O-N 3.11Å; T452-L455 PolarHBondContact O-N 2.91Å; T452-E456 PolarHBondContact O-N 3.2Å
453	D	75.7	Confident	74.8	Confident	73 Å²	73	82.1 Å²	82.1	39%	0.39	43%	0.425	S	S	.	.	H	α-helix	trans	-63.3	-43.5	178.4	173.4	70.1	0	0	0	112.2	Q449 L455 E456 K457	Q449-D453 PolarHBondContact O-N 3.47Å; D453-L455 PolarHBondContact O-N 3.15Å; D453-E456 PolarHBondContact O-N 2.85Å; D453-K457 VanDerWaalsContact CG-NZ 3.32Å; D453-K457 WeakPolarHBondContact O-CG 3.42Å; D453-K457 PolarHBondContact O-N 2.98Å; D453-K457 VanDerWaalsContact OD1-CE 3.26Å; D453-K457 WeakPolarHBondContact OD1-CE 3.5Å; D453-K457 IonicContact OD1-NZ 2.81Å; D453-K457 PolarHBondContact OD1-NZ 3.42Å; D453-K457 WeakPolarHBondContact OD2-CE 3.49Å; D453-K457 IonicContact OD2-NZ 2.65Å; D453-K457 PolarHBondContact OD2-NZ 3.28Å
454	R	71.6	Confident	74.5	Confident	117 Å²	117	84.2 Å²	84.2	44%	0.442	43%	0.431	S	S	.	.	H	α-helix	trans	-58.7	-45.7	171.3	-84.8	179.5	159.8	165.5	-3.4	112.2	L450 E456 K457 V458 E585	L450-R454 WeakPolarHBondContact O-CB 3.5Å; L450-R454 PolarHBondContact O-N 3.14Å; R454-E456 VanDerWaalsContact C-N 3.35Å; R454-E456 PolarHBondContact O-N 2.94Å; R454-K457 PolarHBondContact O-N 2.65Å; R454-V458 WeakPolarHBondContact O-CG2 3.36Å; R454-V458 PolarHBondContact O-N 2.81Å; R454-E585 IonicContact CZ-OE1 2.74Å; R454-E585 IonicContact CZ-OE2 3.61Å; R454-E585 IonicContact NE-OE1 3.69Å; R454-E585 PolarHBondContact NE-OE1 3.44Å; R454-E585 IonicContact NH2-OE1 2.79Å; R454-E585 PolarHBondContact NH2-OE1 3.14Å; R454-E585 IonicContact NH2-OE2 3.03Å; R454-E585 PolarHBondContact NH2-OE2 3.07Å
455	L	74.8	Confident	74.4	Confident	84 Å²	84	84 Å²	84	44%	0.44	43%	0.426	S	S	.	.	H	α-helix	trans	-66.9	-33.4	178.8	-73.9	170.5	0	0	0	112.7	L451 T452 D453 K459 T787	L451-L455 HydrophobicContact CG-CD1 4.1Å; L451-L455 WeakPolarHBondContact O-CB 3.45Å; L451-L455 VanDerWaalsContact O-CG 3.22Å; L451-L455 WeakPolarHBondContact O-CG 2.98Å; L451-L455 PolarHBondContact O-N 3.47Å; T452-L455 PolarHBondContact O-N 2.91Å; D453-L455 PolarHBondContact O-N 3.15Å; L455-K459 WeakPolarHBondContact O-CB 3.33Å; L455-K459 PolarHBondContact O-N 3.43Å; L455-T787 HydrophobicContact CD1-CG2 4.43Å
456	E	73.8	Confident	74.4	Confident	116 Å²	116	84.2 Å²	84.2	54%	0.542	42%	0.42	S	S	.	.	H	α-helix	trans	-69.7	-40.5	174.5	-170.5	132.6	-129.9	0	0	111.4	T452 D453 R454 V458 K459 E460	T452-E456 PolarHBondContact O-N 3.2Å; D453-E456 PolarHBondContact O-N 2.85Å; R454-E456 VanDerWaalsContact C-N 3.35Å; R454-E456 PolarHBondContact O-N 2.94Å; E456-V458 PolarHBondContact O-N 2.86Å; E456-K459 WeakPolarHBondContact O-CB 3.23Å; E456-K459 PolarHBondContact O-N 3.44Å; E456-K459 VanDerWaalsContact O-N 3.15Å; E456-E460 PolarHBondContact O-N 3.41Å
457	K	73.4	Confident	74.4	Confident	110 Å²	110	89.4 Å²	89.4	48%	0.478	44%	0.437	S	S	.	.	H	α-helix	trans	-61.5	-41.4	172.4	-74.1	165.2	179.8	166.8	0	112.7	D453 R454 K459 E460 S461	D453-K457 VanDerWaalsContact CG-NZ 3.32Å; D453-K457 WeakPolarHBondContact O-CG 3.42Å; D453-K457 PolarHBondContact O-N 2.98Å; D453-K457 VanDerWaalsContact OD1-CE 3.26Å; D453-K457 WeakPolarHBondContact OD1-CE 3.5Å; D453-K457 IonicContact OD1-NZ 2.81Å; D453-K457 PolarHBondContact OD1-NZ 3.42Å; D453-K457 WeakPolarHBondContact OD2-CE 3.49Å; D453-K457 IonicContact OD2-NZ 2.65Å; D453-K457 PolarHBondContact OD2-NZ 3.28Å; R454-K457 PolarHBondContact O-N 2.65Å; K457-K459 VanDerWaalsContact C-N 3.35Å; K457-E460 PolarHBondContact O-N 2.97Å; K457-S461 PolarHBondContact O-N 3.19Å; K457-S461 PolarHBondContact O-OG 3.1Å
458	V	70.1	Confident	73.9	Confident	82 Å²	82	90.8 Å²	90.8	50%	0.497	45%	0.447	S	S	.	.	H	α-helix	trans	-64.8	-36.8	172.6	171.5	0	0	0	0	111.9	R454 E456 S461 R462	R454-V458 WeakPolarHBondContact O-CG2 3.36Å; R454-V458 PolarHBondContact O-N 2.81Å; E456-V458 PolarHBondContact O-N 2.86Å; V458-S461 PolarHBondContact O-OG 2.85Å; V458-S461 VanDerWaalsContact O-OG 3.08Å; V458-R462 WeakPolarHBondContact O-CB 3.29Å; V458-R462 PolarHBondContact O-N 3.11Å; V458-R462 VanDerWaalsContact O-N 3.08Å
459	K	72.3	Confident	73.1	Confident	95 Å²	95	92.3 Å²	92.3	41%	0.413	45%	0.451	S	S	.	.	H	α-helix	trans	-68.1	-39.5	175.1	-173	171.6	-176.7	168.5	0	112	S200 L455 E456 K457 G463	S200-K459 PolarHBondContact OG-NZ 3.19Å; L455-K459 WeakPolarHBondContact O-CB 3.33Å; L455-K459 PolarHBondContact O-N 3.43Å; E456-K459 WeakPolarHBondContact O-CB 3.23Å; E456-K459 PolarHBondContact O-N 3.44Å; E456-K459 VanDerWaalsContact O-N 3.15Å; K457-K459 VanDerWaalsContact C-N 3.35Å; K459-G463 PolarHBondContact O-N 3.04Å
460	E	74	Confident	72.9	Confident	113 Å²	113	89.4 Å²	89.4	53%	0.528	45%	0.445	S	S	.	.	H	α-helix	trans	-71.1	-40.1	179.3	-152.3	-143.4	165.1	0	0	112	E456 K457 G463 K464	E456-E460 PolarHBondContact O-N 3.41Å; K457-E460 PolarHBondContact O-N 2.97Å; E460-G463 PolarHBondContact O-N 2.77Å; E460-K464 WeakPolarHBondContact O-CG 3.49Å; E460-K464 PolarHBondContact O-N 3.4Å; E460-K464 WeakPolarHBondContact OE1-CE 3.42Å; E460-K464 IonicContact OE1-NZ 2.67Å; E460-K464 PolarHBondContact OE1-NZ 3.02Å; E460-K464 IonicContact OE2-NZ 3.52Å; E460-K464 PolarHBondContact OE2-NZ 2.88Å
461	S	70.4	Confident	72.2	Confident	33 Å²	33	90.2 Å²	90.2	23%	0.231	45%	0.449	C	S	.	.	H	α-helix	trans	-65.8	-41.3	175	65.6	0	0	0	0	112	K457 V458 G463 K464 L465	K457-S461 PolarHBondContact O-N 3.19Å; K457-S461 PolarHBondContact O-OG 3.1Å; V458-S461 PolarHBondContact O-OG 2.85Å; V458-S461 VanDerWaalsContact O-OG 3.08Å; S461-G463 PolarHBondContact O-N 3.27Å; S461-K464 WeakPolarHBondContact O-CB 3.29Å; S461-K464 PolarHBondContact O-N 3.04Å; S461-L465 PolarHBondContact O-N 3.37Å
462	R	75.4	Confident	71.3	Confident	129 Å²	129	92.3 Å²	92.3	49%	0.487	46%	0.464	S	S	.	.	H	α-helix	trans	-58.6	-45.1	170.1	178.8	177.2	166.2	161.8	2.9	112	V458 K464 L465 E466	V458-R462 WeakPolarHBondContact O-CB 3.29Å; V458-R462 PolarHBondContact O-N 3.11Å; V458-R462 VanDerWaalsContact O-N 3.08Å; R462-K464 VanDerWaalsContact C-N 3.29Å; R462-K464 PolarHBondContact O-N 2.59Å; R462-L465 WeakPolarHBondContact O-CB 2.94Å; R462-L465 PolarHBondContact O-N 3.48Å; R462-L465 VanDerWaalsContact O-N 3.14Å; R462-E466 HydrophobicContact CG-CG 4.39Å; R462-E466 IonicContact CZ-OE1 2.81Å; R462-E466 IonicContact NE-OE1 2.59Å; R462-E466 PolarHBondContact NE-OE1 2.79Å; R462-E466 IonicContact NH2-OE1 3.4Å; R462-E466 PolarHBondContact NH2-OE1 3.17Å; R462-E466 WeakPolarHBondContact O-CG 3.4Å; R462-E466 PolarHBondContact O-N 2.75Å
463	G	74.5	Confident	70.5	Confident	35 Å²	35	93.7 Å²	93.7	36%	0.361	47%	0.468	S	S	.	.	H	α-helix	trans	-63.1	-32.9	176.7	0	0	0	0	0	113.6	K459 E460 S461 K467	K459-G463 PolarHBondContact O-N 3.04Å; E460-G463 PolarHBondContact O-N 2.77Å; S461-G463 PolarHBondContact O-N 3.27Å; G463-K467 VanDerWaalsContact O-CB 3.29Å; G463-K467 WeakPolarHBondContact O-CB 3.43Å; G463-K467 PolarHBondContact O-N 2.76Å
464	K	74.1	Confident	69.6	Low	102 Å²	102	97.7 Å²	97.7	44%	0.443	48%	0.484	S	S	.	.	H	α-helix	trans	-68	-41.6	171.3	-71.2	161.3	-178.6	165.7	0	111.5	E460 S461 R462 K467 L468	E460-K464 WeakPolarHBondContact O-CG 3.49Å; E460-K464 PolarHBondContact O-N 3.4Å; E460-K464 WeakPolarHBondContact OE1-CE 3.42Å; E460-K464 IonicContact OE1-NZ 2.67Å; E460-K464 PolarHBondContact OE1-NZ 3.02Å; E460-K464 IonicContact OE2-NZ 3.52Å; E460-K464 PolarHBondContact OE2-NZ 2.88Å; S461-K464 WeakPolarHBondContact O-CB 3.29Å; S461-K464 PolarHBondContact O-N 3.04Å; R462-K464 VanDerWaalsContact C-N 3.29Å; R462-K464 PolarHBondContact O-N 2.59Å; K464-K467 PolarHBondContact O-N 2.96Å; K464-L468 PolarHBondContact O-N 3.43Å
465	L	71.7	Confident	68.4	Low	72 Å²	72	99.9 Å²	99.9	38%	0.377	50%	0.5	S	S	.	.	H	α-helix	trans	-65.8	-47	176.8	-179.9	63.3	0	0	0	112.5	S461 R462 K467 L468 M469 L574	S461-L465 PolarHBondContact O-N 3.37Å; R462-L465 WeakPolarHBondContact O-CB 2.94Å; R462-L465 PolarHBondContact O-N 3.48Å; R462-L465 VanDerWaalsContact O-N 3.14Å; L465-K467 PolarHBondContact O-N 3.38Å; L465-L468 WeakPolarHBondContact O-CB 3.3Å; L465-L468 PolarHBondContact O-N 3.21Å; L465-L468 VanDerWaalsContact O-N 3.12Å; L465-M469 WeakPolarHBondContact O-CG 3.37Å; L465-M469 PolarHBondContact O-N 2.88Å; L465-L574 HydrophobicContact CD1-CD2 4.31Å; L465-L574 HydrophobicContact CD2-CD2 3.97Å
466	E	73.7	Confident	67.1	Low	98 Å²	98	101 Å²	101	46%	0.458	51%	0.51	S	S	.	.	H	α-helix	trans	-60.8	-36.3	176.6	-72.4	173.5	167.9	0	0	111.3	R462 S470	R462-E466 HydrophobicContact CG-CG 4.39Å; R462-E466 IonicContact CZ-OE1 2.81Å; R462-E466 IonicContact NE-OE1 2.59Å; R462-E466 PolarHBondContact NE-OE1 2.79Å; R462-E466 IonicContact NH2-OE1 3.4Å; R462-E466 PolarHBondContact NH2-OE1 3.17Å; R462-E466 WeakPolarHBondContact O-CG 3.4Å; R462-E466 PolarHBondContact O-N 2.75Å; E466-S470 WeakPolarHBondContact O-CB 3.44Å; E466-S470 PolarHBondContact O-N 3.01Å
467	K	73.9	Confident	65.6	Low	153 Å²	153	102.1 Å²	102.1	67%	0.665	52%	0.519	S	S	*	.	H	α-helix	trans	-71.7	-32.9	174.7	-164.6	167.9	-171.5	170.6	0	113.4	G463 K464 L465 L471	G463-K467 VanDerWaalsContact O-CB 3.29Å; G463-K467 WeakPolarHBondContact O-CB 3.43Å; G463-K467 PolarHBondContact O-N 2.76Å; K464-K467 PolarHBondContact O-N 2.96Å; L465-K467 PolarHBondContact O-N 3.38Å; K467-L471 WeakPolarHBondContact O-CB 3.45Å; K467-L471 WeakPolarHBondContact O-CG 3.43Å; K467-L471 PolarHBondContact O-N 3.15Å
468	L	66.2	Low	63.8	Low	99 Å²	99	105.9 Å²	105.9	52%	0.518	54%	0.539	S	S	.	.	H	α-helix	trans	-68.9	-46.2	170.8	-86.8	166.9	0	0	0	111.6	K464 L465 S470 L471 V472	K464-L468 PolarHBondContact O-N 3.43Å; L465-L468 WeakPolarHBondContact O-CB 3.3Å; L465-L468 PolarHBondContact O-N 3.21Å; L465-L468 VanDerWaalsContact O-N 3.12Å; L468-S470 VanDerWaalsContact C-N 3.3Å; L468-S470 PolarHBondContact O-N 3.34Å; L468-L471 PolarHBondContact O-N 3Å; L468-L471 VanDerWaalsContact O-N 3.14Å; L468-V472 WeakPolarHBondContact O-CG2 3.32Å; L468-V472 PolarHBondContact O-N 3.03Å
469	M	62.1	Low	62.1	Low	101 Å²	101	111.3 Å²	111.3	50%	0.498	56%	0.555	S	S	.	*	H	α-helix	trans	-55	-45.6	173.3	-75.4	-79.3	-176.7	0	0	111.4	L465 V472 N473	L465-M469 WeakPolarHBondContact O-CG 3.37Å; L465-M469 PolarHBondContact O-N 2.88Å; M469-V472 PolarHBondContact O-N 3.5Å; M469-N473 WeakPolarHBondContact O-CB 3.35Å; M469-N473 VanDerWaalsContact O-CG 3.24Å; M469-N473 PolarHBondContact O-N 3.42Å; M469-N473 PolarHBondContact O-ND2 3.39Å
470	S	69.6	Low	60.1	Low	68 Å²	68	114.3 Å²	114.3	48%	0.476	57%	0.571	S	S	.	*	H	α-helix	trans	-60	-45.7	174.7	176.6	0	0	0	0	112.6	E466 L468 N473 H474	E466-S470 WeakPolarHBondContact O-CB 3.44Å; E466-S470 PolarHBondContact O-N 3.01Å; L468-S470 VanDerWaalsContact C-N 3.3Å; L468-S470 PolarHBondContact O-N 3.34Å; S470-N473 PolarHBondContact O-N 3.07Å; S470-H474 PolarHBondContact O-N 2.99Å
471	L	62.2	Low	58.1	Low	94 Å²	94	115.1 Å²	115.1	49%	0.492	59%	0.586	S	S	.	*	H	α-helix	trans	-65.7	-37.9	177.3	-83.3	164.9	0	0	0	113.4	K467 L468 Q475	K467-L471 WeakPolarHBondContact O-CB 3.45Å; K467-L471 WeakPolarHBondContact O-CG 3.43Å; K467-L471 PolarHBondContact O-N 3.15Å; L468-L471 PolarHBondContact O-N 3Å; L468-L471 VanDerWaalsContact O-N 3.14Å; L471-Q475 WeakPolarHBondContact O-CG 3.2Å; L471-Q475 PolarHBondContact O-N 3.24Å
472	V	60.8	Low	56.1	Low	89 Å²	89	119 Å²	119	54%	0.539	61%	0.608	S	S	.	*	H	α-helix	trans	-64.9	-46	175.9	168.3	0	0	0	0	110.3	L468 M469 Q475	L468-V472 WeakPolarHBondContact O-CG2 3.32Å; L468-V472 PolarHBondContact O-N 3.03Å; M469-V472 PolarHBondContact O-N 3.5Å; V472-Q475 PolarHBondContact O-N 3.33Å
473	N	61.3	Low	54	Low	104 Å²	104	122.4 Å²	122.4	56%	0.556	63%	0.63	S	S	*	*	H	α-helix	trans	-65.6	-42.4	178.8	-67.9	-16.5	0	0	0	111.9	M469 S470 Q475 V476	M469-N473 WeakPolarHBondContact O-CB 3.35Å; M469-N473 VanDerWaalsContact O-CG 3.24Å; M469-N473 PolarHBondContact O-N 3.42Å; M469-N473 PolarHBondContact O-ND2 3.39Å; S470-N473 PolarHBondContact O-N 3.07Å; N473-Q475 PolarHBondContact O-N 3.24Å; N473-V476 PolarHBondContact O-N 3.22Å
474	H	55.1	Low	51.9	Low	158 Å²	158	125.7 Å²	125.7	73%	0.731	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-6.3	177.5	-103.2	-17.5	0	0	0	115.2	S470	S470-H474 PolarHBondContact O-N 2.99Å
475	Q	46.5	Very low	50	Low	163 Å²	163	129.7 Å²	129.7	76%	0.762	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	6.9	174.5	-74.1	-174.1	11.5	0	0	114.1	L471 V472 N473	L471-Q475 WeakPolarHBondContact O-CG 3.2Å; L471-Q475 PolarHBondContact O-N 3.24Å; V472-Q475 PolarHBondContact O-N 3.33Å; N473-Q475 PolarHBondContact O-N 3.24Å
476	V	47.8	Very low	47.9	Very low	108 Å²	108	133.4 Å²	133.4	66%	0.655	68%	0.684	S	S	*	*	S	Bend	trans	-91.9	-33	178.2	178.2	0	0	0	0	113	N473	N473-V476 PolarHBondContact O-N 3.22Å
477	D	43.2	Very low	45.8	Very low	139 Å²	139	134.4 Å²	134.4	74%	0.743	70%	0.698	S	S	*	*	S	Bend	trans	-98.7	-8.8	-161.6	-70.4	-37.4	0	0	0	117.6
478	E	34.8	Very low	43.8	Very low	188 Å²	188	134.5 Å²	134.5	88%	0.879	71%	0.705	S	S	*	*			trans	-120.7	99.2	178.1	-76.1	-145.9	148.4	0	0	115
479	K	34.8	Very low	42.2	Very low	196 Å²	196	134.5 Å²	134.5	85%	0.852	71%	0.711	S	S	*	*			trans	-145.2	140.2	150.3	-78.1	-165.5	178.3	172.8	0	112.4
480	H	31	Very low	40.7	Very low	158 Å²	158	137.8 Å²	137.8	73%	0.731	73%	0.728	S	S	*	*			trans	70	102	169.6	-94	-87.3	0	0	0	119.4	T482	H480-T482 PolarHBondContact ND1-OG1 2.73Å
481	P	30.5	Very low	38.8	Very low	131 Å²	131	137.5 Å²	137.5	85%	0.851	74%	0.736	S	S	*	*			trans	-91.9	110.6	149.5	33.4	-26.4	0	0	0	110.5
482	T	28.9	Very low	37.5	Very low	113 Å²	113	141.5 Å²	141.5	69%	0.693	75%	0.752	S	S	*	*			trans	-154.8	90.1	169.2	22.3	0	0	0	0	111.1	H480	H480-T482 PolarHBondContact ND1-OG1 2.73Å
483	E	31.9	Very low	36	Very low	202 Å²	202	142.3 Å²	142.3	94%	0.944	76%	0.757	S	S	*	*			trans	-130.6	151.7	159.4	-74.7	-155.7	141	0	0	110.4
484	S	30.2	Very low	34.6	Very low	103 Å²	103	144.3 Å²	144.3	72%	0.72	77%	0.768	S	S	*	*			trans	-149.8	153.9	-176.9	71	0	0	0	0	110.7
485	K	33.1	Very low	33.6	Very low	187 Å²	187	140.5 Å²	140.5	81%	0.813	76%	0.759	S	S	*	*			trans	79.5	94.4	174.8	-52.4	171.5	-175.7	175.1	0	116
486	N	27.7	Very low	33	Very low	149 Å²	149	143.4 Å²	143.4	80%	0.797	77%	0.765	S	S	*	*				26.3	126	112	-45.5	3.2	0	0	0	117.2
487	T	30.7	Very low	32.3	Very low	120 Å²	120	141.3 Å²	141.3	74%	0.736	77%	0.765	S	S	*	*				164.3	105.6	103.9	-64.7	0	0	0	0	112.1
488	L	30.8	Very low	31.6	Very low	155 Å²	155	143.9 Å²	143.9	81%	0.812	77%	0.77	S	S	*	*				36.8	161.7	123.5	-59.6	172.6	0	0	0	121.8
489	P	34.4	Very low	31.5	Very low	99 Å²	99	141.9 Å²	141.9	64%	0.643	76%	0.764	S	S	*	*			cis	-146.6	167.3	-31.7	39.5	-21.1	0	0	0	117.5
490	I	28.9	Very low	31.4	Very low	170 Å²	170	137.1 Å²	137.1	87%	0.872	76%	0.755	S	S	*	*			trans	41.8	134.9	133.3	-57.8	165	0	0	0	122
491	G	30.6	Very low	31.4	Very low	61 Å²	61	135 Å²	135	63%	0.629	75%	0.753	S	S	*	*			trans	176.8	115.5	147.3	0	0	0	0	0	119.1
492	Q	33.8	Very low	31.4	Very low	178 Å²	178	134.6 Å²	134.6	83%	0.832	74%	0.744	S	S	*	*			trans	70.1	146.8	146.9	-59.9	178.2	1.9	0	0	118.7
493	T	31	Very low	31.6	Very low	106 Å²	106	135.7 Å²	135.7	65%	0.65	74%	0.741	S	S	*	*			cis	-160.5	161.9	-1	6.1	0	0	0	0	113.7
494	D	32	Very low	31.8	Very low	146 Å²	146	132.5 Å²	132.5	78%	0.781	73%	0.726	S	S	*	*			trans	63.5	158.5	149.9	-55.4	-27.2	0	0	0	124.1
495	S	34.2	Very low	31.8	Very low	79 Å²	79	133.7 Å²	133.7	55%	0.552	72%	0.724	S	S	*	*			cis	-173.7	171.3	-38.6	-166.1	0	0	0	0	112.3
496	Y	32.1	Very low	31.8	Very low	223 Å²	223	129.2 Å²	129.2	88%	0.875	72%	0.717	S	S	*	*			trans	75	102.9	160.8	-58.5	-66.8	0	0	0	123
497	G	32.9	Very low	31.9	Very low	64 Å²	64	127.1 Å²	127.1	66%	0.66	71%	0.713	S	S	*	*				106.8	113.3	92.9	0	0	0	0	0	120.5
498	F	29.5	Very low	31.8	Very low	194 Å²	194	128.4 Å²	128.4	85%	0.851	72%	0.715	S	S	*	*				173.9	142.6	103.9	-101.1	-64.5	0	0	0	113.9
499	I	31.9	Very low	31.8	Very low	145 Å²	145	127.9 Å²	127.9	74%	0.744	71%	0.708	S	S	*	*			trans	54.6	129.9	147.4	-76.8	156.4	0	0	0	117.4
500	S	32.7	Very low	31.5	Very low	97 Å²	97	127.8 Å²	127.8	68%	0.678	71%	0.71	S	S	*	*			cis	178.5	176.6	7	-98.1	0	0	0	0	107.2
501	V	31.2	Very low	31.6	Very low	112 Å²	112	125 Å²	125	68%	0.679	70%	0.697	S	S	*	*			cis	-173.9	146.3	-15.8	138	0	0	0	0	104.1
502	N	31.4	Very low	31.6	Very low	123 Å²	123	129.4 Å²	129.4	66%	0.658	70%	0.701	S	S	*	*			cis	-157.6	-176.2	-18.4	-93.4	0.3	0	0	0	104.6
503	Q	32.2	Very low	31.4	Very low	137 Å²	137	127.2 Å²	127.2	64%	0.64	69%	0.694	S	S	*	*			cis	-145.9	-157.4	6.7	-134.7	139.5	-101.7	0	0	105.9
504	H	35.5	Very low	31.2	Very low	134 Å²	134	127.8 Å²	127.8	62%	0.62	69%	0.693	S	S	*	*			cis	-158.4	169.3	4.4	-128.5	-42.4	0	0	0	108.4
505	N	31	Very low	30.8	Very low	128 Å²	128	131.1 Å²	131.1	68%	0.684	70%	0.695	S	S	*	*			trans	28.3	129.8	143.1	-62.2	7.8	0	0	0	120.9
506	S	32.7	Very low	30.3	Very low	94 Å²	94	131.5 Å²	131.5	66%	0.657	70%	0.698	S	S	*	*			cis	-170.6	137.9	-6.5	13.3	0	0	0	0	107.7
507	S	29.7	Very low	30	Very low	104 Å²	104	129.1 Å²	129.1	73%	0.727	69%	0.694	S	S	*	*				60	136.2	74.3	88.2	0	0	0	0	114.2
508	L	29.8	Very low	29.7	Very low	147 Å²	147	132 Å²	132	77%	0.77	69%	0.694	S	S	*	*			cis	-144	-175.8	0.1	-64.1	172.6	0	0	0	107.3
509	H	29.5	Very low	29.6	Very low	145 Å²	145	131.5 Å²	131.5	67%	0.671	69%	0.691	S	S	*	*			cis	-123.5	-179.2	-0.4	-86.4	-112.7	0	0	0	108.2	D511	H509-D511 IonicContact CE1-OD2 3.88Å; H509-D511 IonicContact CG-OD2 3.1Å; H509-D511 IonicContact ND1-OD2 2.75Å; H509-D511 PolarHBondContact ND1-OD2 3.41Å
510	S	28.2	Very low	29.7	Very low	96 Å²	96	129.3 Å²	129.3	67%	0.671	69%	0.687	S	S	*	*			cis	85	153.6	15.3	-147.6	0	0	0	0	118.1
511	D	31.6	Very low	29.6	Very low	112 Å²	112	131.6 Å²	131.6	60%	0.599	69%	0.691	S	S	*	*			trans	77.5	136.5	158.7	-45.7	-34.5	0	0	0	117.2	H509	H509-D511 IonicContact CE1-OD2 3.88Å; H509-D511 IonicContact CG-OD2 3.1Å; H509-D511 IonicContact ND1-OD2 2.75Å; H509-D511 PolarHBondContact ND1-OD2 3.41Å
512	H	31	Very low	29.6	Very low	154 Å²	154	130.4 Å²	130.4	71%	0.713	69%	0.688	S	S	*	*			cis	-170.2	153	-14	-147.9	-161.6	0	0	0	110.2
513	L	29.6	Very low	29.5	Very low	131 Å²	131	133.5 Å²	133.5	69%	0.686	70%	0.696	S	S	*	*			trans	59.8	169.9	148	-75.8	179.8	0	0	0	119.3
514	N	26.3	Very low	29.4	Very low	118 Å²	118	133.4 Å²	133.4	63%	0.631	70%	0.698	S	S	*	*			cis	-150.5	162	-36.1	-152	18.8	0	0	0	110.7
515	W	22.7	Very low	29.2	Very low	216 Å²	216	133.1 Å²	133.1	82%	0.818	70%	0.701	S	S	*	*			trans	39.7	112.1	146.4	-87.3	45.7	0	0	0	122.3
516	S	24	Very low	29.3	Very low	88 Å²	88	131.7 Å²	131.7	62%	0.615	70%	0.697	S	S	*	*				81	151.2	118.5	-58	0	0	0	0	122.1
517	Q	26.4	Very low	29.2	Very low	172 Å²	172	132.7 Å²	132.7	80%	0.804	70%	0.699	S	S	*	*			trans	97.9	127.3	157.5	-57.3	-156.6	17	0	0	120.8
518	L	26.2	Very low	29.3	Very low	124 Å²	124	134.4 Å²	134.4	65%	0.649	70%	0.701	S	S	*	*			trans	75.7	100.4	143.2	-65.9	161.9	0	0	0	122.9
519	K	27.5	Very low	29.3	Very low	184 Å²	184	131.6 Å²	131.6	80%	0.8	69%	0.693	S	S	*	*				65.9	174.9	125.6	-67.3	-175.5	-178.2	178.5	0	118.5
520	P	34.5	Very low	29.3	Very low	100 Å²	100	131.3 Å²	131.3	65%	0.649	70%	0.695	S	S	*	*				-132	-158.3	-63	40.5	-23.7	0	0	0	111.5
521	N	29.6	Very low	29.3	Very low	144 Å²	144	133.5 Å²	133.5	77%	0.77	70%	0.697	S	S	*	*			trans	76.6	145.1	164.3	-60.4	-12.5	0	0	0	116.5
522	S	31.5	Very low	29.3	Very low	87 Å²	87	134.1 Å²	134.1	61%	0.608	70%	0.7	S	S	*	*			cis	-170.1	138.9	-8.4	42.7	0	0	0	0	113
523	F	29.7	Very low	29.2	Very low	189 Å²	189	134.2 Å²	134.2	83%	0.829	70%	0.701	S	S	*	*			trans	59.3	159.2	143.4	-62.1	-44.5	0	0	0	118.1
524	I	31.1	Very low	29.3	Very low	134 Å²	134	133 Å²	133	69%	0.687	70%	0.699	S	S	*	*			cis	-160.4	147.9	-3.8	-120.9	167.4	0	0	0	103.6
525	N	31.4	Very low	29.4	Very low	129 Å²	129	133.9 Å²	133.9	69%	0.69	70%	0.704	S	S	*	*			cis	-176.8	164.4	38.9	-126.9	5.1	0	0	0	106.6
526	T	32.5	Very low	29.6	Very low	98 Å²	98	128.8 Å²	128.8	60%	0.601	70%	0.701	S	S	*	*			cis	-155.6	139.9	-7.3	-22.5	0	0	0	0	107.3
527	T	30.9	Very low	29.9	Very low	114 Å²	114	129.2 Å²	129.2	70%	0.699	70%	0.704	S	S	*	*			trans	30	143	148.3	57.4	0	0	0	0	121.2
528	N	30.6	Very low	30	Very low	141 Å²	141	126.1 Å²	126.1	75%	0.754	70%	0.697	S	S	*	*			cis	-174.9	170	2.8	-103.8	5.4	0	0	0	105.3
529	S	29.2	Very low	30.1	Very low	88 Å²	88	126.9 Å²	126.9	62%	0.615	70%	0.7	S	S	*	*			cis	-154.7	158.5	-5.5	-96.5	0	0	0	0	105.7
530	I	30.1	Very low	30.3	Very low	138 Å²	138	125 Å²	125	71%	0.708	69%	0.694	S	S	*	*				67.2	113	50.8	-58.2	-179.3	0	0	0	113
531	M	28.5	Very low	30	Very low	143 Å²	143	127.3 Å²	127.3	70%	0.704	70%	0.696	S	S	*	*			cis	-167.8	162.9	-16.7	-125.6	-171.3	-55.9	0	0	108.4
532	N	31.4	Very low	30.1	Very low	125 Å²	125	127 Å²	127	67%	0.668	69%	0.69	S	S	*	*			trans	66.9	156.3	152.3	-66.7	16.9	0	0	0	119.9
533	E	29.8	Very low	30	Very low	156 Å²	156	127.9 Å²	127.9	73%	0.729	69%	0.692	S	S	*	*			cis	-164.8	171.4	-39.3	-140.6	174.5	-160.4	0	0	110.6
534	T	30.7	Very low	29.9	Very low	104 Å²	104	124.9 Å²	124.9	64%	0.638	68%	0.684	S	S	*	*			trans	67.1	125.2	155.8	53.7	0	0	0	0	122.2
535	N	29	Very low	29.8	Very low	138 Å²	138	124.5 Å²	124.5	74%	0.738	68%	0.683	S	S	*	*			trans	73.4	114	136.3	-60	-14.8	0	0	0	118.9
536	S	27.5	Very low	29.7	Very low	109 Å²	109	127.6 Å²	127.6	76%	0.762	69%	0.687	S	S	*	*				80.8	134	69.1	-69.7	0	0	0	0	113.4
537	S	29.4	Very low	29.9	Very low	96 Å²	96	127.5 Å²	127.5	67%	0.671	69%	0.687	S	S	*	*			cis	-173.1	-179.3	-4.1	57.3	0	0	0	0	111.5
538	T	29.2	Very low	29.8	Very low	108 Å²	108	129.9 Å²	129.9	66%	0.663	69%	0.69	S	S	*	*			trans	80.3	107.6	138.5	-61.6	0	0	0	0	120.8
539	I	29	Very low	29.7	Very low	140 Å²	140	131 Å²	131	72%	0.718	69%	0.691	S	S	*	*			trans	72.7	149.3	139.4	-69.9	-179.6	0	0	0	116.4
540	Q	29.7	Very low	29.5	Very low	143 Å²	143	131.1 Å²	131.1	67%	0.668	69%	0.691	S	S	*	*			cis	-149.2	146.7	18.7	-146.2	133.8	27.5	0	0	112.3
541	Q	29.8	Very low	29.3	Very low	150 Å²	150	130.5 Å²	130.5	70%	0.701	69%	0.694	S	S	*	*			trans	48.3	161.4	137.8	-74	170	-3.6	0	0	122.2
542	H	31.7	Very low	29.1	Very low	137 Å²	137	130.8 Å²	130.8	63%	0.634	70%	0.698	S	S	*	*			cis	-150.3	145.6	6.8	-131.3	-68.6	0	0	0	110.7
543	T	28.7	Very low	29	Very low	105 Å²	105	131.5 Å²	131.5	64%	0.644	70%	0.7	S	S	*	*			trans	18.8	138.1	148.9	50.7	0	0	0	0	120.9
544	L	26.8	Very low	28.9	Very low	126 Å²	126	131.8 Å²	131.8	66%	0.66	70%	0.704	S	S	*	*			cis	-165	-176.7	5	-99.2	166.6	0	0	0	106.8	Y546	L544-Y546 HydrophobicContact CD2-CD2 3.59Å; L544-Y546 HydrophobicContact CD2-CE2 3.59Å
545	N	29.9	Very low	28.7	Very low	127 Å²	127	132.8 Å²	132.8	68%	0.679	71%	0.705	S	S	*	*			cis	-142.5	176.4	11.6	-96.4	-46.3	0	0	0	106.9
546	Y	29.1	Very low	28.7	Very low	194 Å²	194	132.3 Å²	132.3	76%	0.761	71%	0.707	S	S	*	*			cis	75.3	148.7	28.6	-57	-41.6	0	0	0	117.5	L544	L544-Y546 HydrophobicContact CD2-CD2 3.59Å; L544-Y546 HydrophobicContact CD2-CE2 3.59Å
547	P	36.1	Very low	28.8	Very low	95 Å²	95	130.5 Å²	130.5	62%	0.617	71%	0.706	S	S	*	*			cis	-133.3	166	-41.1	31.4	-12.9	0	0	0	114.1
548	H	29.7	Very low	28.8	Very low	164 Å²	164	131.4 Å²	131.4	76%	0.759	71%	0.712	S	S	*	*				170.1	147.1	112	-95.8	-72.9	0	0	0	115.3
549	H	28.2	Very low	28.9	Very low	166 Å²	166	133.7 Å²	133.7	77%	0.769	72%	0.715	S	S	*	*			trans	82.4	124.7	152.7	-107.4	-78.8	0	0	0	122.2
550	S	25.9	Very low	29	Very low	90 Å²	90	133.7 Å²	133.7	63%	0.629	72%	0.716	S	S	*	*			trans	66.5	98.8	148.1	-68.7	0	0	0	0	120.4
551	T	25.9	Very low	28.9	Very low	125 Å²	125	134.3 Å²	134.3	77%	0.767	72%	0.723	S	S	*	*				60.3	103.7	120.6	-41.1	0	0	0	0	118.1
552	L	24.6	Very low	28.9	Very low	148 Å²	148	134.8 Å²	134.8	78%	0.775	73%	0.731	S	S	*	*				175.4	161.1	121.2	-96.4	170.2	0	0	0	111.9
553	I	27.8	Very low	28.8	Very low	141 Å²	141	131.9 Å²	131.9	72%	0.723	74%	0.738	S	S	*	*			trans	75.3	132.7	142.8	-78.8	165.1	0	0	0	120.4
554	M	27.7	Very low	29	Very low	162 Å²	162	132.8 Å²	132.8	80%	0.798	74%	0.742	S	S	*	*			trans	73.8	107.1	157.7	-68.1	-82.1	-134.3	0	0	122.5
555	N	27.1	Very low	29.4	Very low	124 Å²	124	131 Å²	131	66%	0.663	73%	0.733	S	S	*	*				56.1	133.5	100.8	-145	28	0	0	0	121.4
556	T	29	Very low	29.8	Very low	128 Å²	128	133.8 Å²	133.8	79%	0.785	74%	0.74	S	S	*	*			trans	54.2	130.7	156.1	48.2	0	0	0	0	120.9
557	G	28.7	Very low	30.4	Very low	72 Å²	72	128.5 Å²	128.5	74%	0.742	73%	0.731	S	S	*	*			trans	140.6	72.3	145.3	0	0	0	0	0	119.9
558	S	30.3	Very low	30.7	Very low	114 Å²	114	129.7 Å²	129.7	80%	0.797	73%	0.729	S	S	*	*				54.7	118.4	127.5	-64.8	0	0	0	0	123.6
559	Q	31.4	Very low	31.7	Very low	157 Å²	157	126 Å²	126	73%	0.734	72%	0.715	S	S	*	*				85	108.5	126.9	-58.8	-70.9	59.7	0	0	122.4
560	L	30.1	Very low	32.8	Very low	140 Å²	140	120.4 Å²	120.4	73%	0.733	70%	0.697	S	S	*	*				88.9	146.6	119.7	-75.6	171.6	0	0	0	123.4
561	L	28.5	Very low	34.6	Very low	155 Å²	155	119.9 Å²	119.9	81%	0.812	68%	0.684	S	S	*	*			trans	68.1	91.2	162.5	-66.1	168.4	0	0	0	119.2
562	N	30.4	Very low	36.5	Very low	161 Å²	161	120.7 Å²	120.7	86%	0.861	68%	0.679	S	S	*	*				-153.5	134.8	107	-106.9	-14.9	0	0	0	111.2
563	G	29.8	Very low	38.3	Very low	76 Å²	76	119 Å²	119	78%	0.784	67%	0.67	S	S	*	*			trans	-106.1	75.3	-175.8	0	0	0	0	0	112.6
564	V	33	Very low	39.8	Very low	123 Å²	123	114.9 Å²	114.9	75%	0.745	65%	0.649	S	S	*	*			trans	-148.7	128.8	179.4	177.6	0	0	0	0	107.7
565	N	34.8	Very low	41.9	Very low	88 Å²	88	111.1 Å²	111.1	47%	0.471	63%	0.632	S	S	.	*			cis	-144.5	90.4	-10.4	-124.6	14.3	0	0	0	109.7	S567 Q568	N565-S567 PolarHBondContact O-N 2.76Å; N565-Q568 HydrophobicContact CB-CB 4.43Å; N565-Q568 WeakPolarHBondContact O-CB 3.29Å; N565-Q568 PolarHBondContact O-N 3.04Å
566	K	38.1	Very low	43.8	Very low	186 Å²	186	108.8 Å²	108.8	81%	0.809	62%	0.62	S	S	*	*	H	α-helix	trans	-58.7	-21.3	-168.4	-71.2	-173	175	-175.7	0	116.1	Q568 A570	K566-Q568 VanDerWaalsContact C-N 3.33Å; K566-A570 PolarHBondContact O-N 3.18Å
567	S	40.3	Very low	45.5	Very low	83 Å²	83	107.5 Å²	107.5	58%	0.58	61%	0.605	S	S	*	*	H	α-helix	trans	-71.1	-29.1	173.3	53.7	0	0	0	0	112.8	N565 Q571	N565-S567 PolarHBondContact O-N 2.76Å; S567-Q571 PolarHBondContact O-N 3.24Å; S567-Q571 VanDerWaalsContact O-N 3.1Å
568	Q	43.2	Very low	47.3	Very low	121 Å²	121	107 Å²	107	57%	0.565	59%	0.589	S	S	*	*	H	α-helix	trans	-74	-46	178.5	-156.5	68.8	38.1	0	0	110.4	N565 K566 A570 Q571 E572	N565-Q568 HydrophobicContact CB-CB 4.43Å; N565-Q568 WeakPolarHBondContact O-CB 3.29Å; N565-Q568 PolarHBondContact O-N 3.04Å; K566-Q568 VanDerWaalsContact C-N 3.33Å; Q568-A570 PolarHBondContact O-N 3.14Å; Q568-Q571 PolarHBondContact O-N 2.95Å; Q568-Q571 VanDerWaalsContact O-N 3.08Å; Q568-E572 PolarHBondContact O-N 2.79Å
569	D	52	Low	49	Very low	87 Å²	87	105 Å²	105	47%	0.465	58%	0.575	S	S	.	*	H	α-helix	trans	-54.6	-42.8	172.6	-49.5	-12.7	0	0	0	110.9	E572 I573	D569-E572 PolarHBondContact O-N 3.31Å; D569-I573 WeakPolarHBondContact O-CB 3.5Å; D569-I573 WeakPolarHBondContact O-CD1 3.43Å; D569-I573 WeakPolarHBondContact O-CG1 3.5Å; D569-I573 PolarHBondContact O-N 2.81Å
570	A	50.3	Low	50.6	Low	47 Å²	47	104.5 Å²	104.5	39%	0.388	57%	0.566	S	S	.	*	H	α-helix	trans	-66.3	-35.9	178.2	0	0	0	0	0	113	K566 Q568 L574	K566-A570 PolarHBondContact O-N 3.18Å; Q568-A570 PolarHBondContact O-N 3.14Å; A570-L574 WeakPolarHBondContact O-CB 3.42Å; A570-L574 WeakPolarHBondContact O-CG 3.41Å; A570-L574 PolarHBondContact O-N 3.21Å
571	Q	62.7	Low	51.8	Low	80 Å²	80	101 Å²	101	37%	0.374	55%	0.547	S	S	.	.	H	α-helix	trans	-72.7	-42.7	174.9	-172.7	61	47.3	0	0	111.6	S567 Q568 I573 L574 D575	S567-Q571 PolarHBondContact O-N 3.24Å; S567-Q571 VanDerWaalsContact O-N 3.1Å; Q568-Q571 PolarHBondContact O-N 2.95Å; Q568-Q571 VanDerWaalsContact O-N 3.08Å; Q571-I573 VanDerWaalsContact C-N 3.3Å; Q571-I573 PolarHBondContact O-N 2.79Å; Q571-L574 CarbonylContact O-C 3.54Å; Q571-L574 WeakPolarHBondContact O-CA 3.45Å; Q571-L574 WeakPolarHBondContact O-CB 3.31Å; Q571-L574 PolarHBondContact O-N 3.4Å; Q571-L574 VanDerWaalsContact O-N 3.09Å; Q571-D575 PolarHBondContact NE2-OD1 3.46Å; Q571-D575 PolarHBondContact NE2-OD2 3.32Å; Q571-D575 WeakPolarHBondContact O-CB 3.47Å; Q571-D575 PolarHBondContact O-N 3.45Å
572	E	66.6	Low	53	Low	141 Å²	141	102.7 Å²	102.7	66%	0.659	54%	0.543	S	S	*	.	H	α-helix	trans	-64.4	-35.3	177.2	-169.8	171	-153.3	0	0	111.6	Q568 D569 D575 D576	Q568-E572 PolarHBondContact O-N 2.79Å; D569-E572 PolarHBondContact O-N 3.31Å; E572-D575 PolarHBondContact O-N 3.49Å; E572-D576 WeakPolarHBondContact O-CB 3.31Å; E572-D576 PolarHBondContact O-N 3.02Å
573	I	61.9	Low	53.8	Low	112 Å²	112	97.3 Å²	97.3	57%	0.574	52%	0.521	S	S	*	.	H	α-helix	trans	-68.1	-39.7	170.4	-69.7	165.3	0	0	0	111.7	D569 Q571 H577	D569-I573 WeakPolarHBondContact O-CB 3.5Å; D569-I573 WeakPolarHBondContact O-CD1 3.43Å; D569-I573 WeakPolarHBondContact O-CG1 3.5Å; D569-I573 PolarHBondContact O-N 2.81Å; Q571-I573 VanDerWaalsContact C-N 3.3Å; Q571-I573 PolarHBondContact O-N 2.79Å; I573-H577 WeakPolarHBondContact O-CB 3.27Å; I573-H577 PolarHBondContact O-N 3.25Å
574	L	60.9	Low	54.4	Low	56 Å²	56	99.1 Å²	99.1	29%	0.293	51%	0.513	S	S	.	.	H	α-helix	trans	-62.9	-43.7	173.5	-83.2	164.5	0	0	0	111.2	L465 A570 Q571 H577 C578	L465-L574 HydrophobicContact CD1-CD2 4.31Å; L465-L574 HydrophobicContact CD2-CD2 3.97Å; A570-L574 WeakPolarHBondContact O-CB 3.42Å; A570-L574 WeakPolarHBondContact O-CG 3.41Å; A570-L574 PolarHBondContact O-N 3.21Å; Q571-L574 CarbonylContact O-C 3.54Å; Q571-L574 WeakPolarHBondContact O-CA 3.45Å; Q571-L574 WeakPolarHBondContact O-CB 3.31Å; Q571-L574 PolarHBondContact O-N 3.4Å; Q571-L574 VanDerWaalsContact O-N 3.09Å; L574-H577 PolarHBondContact O-N 3.32Å; L574-C578 VanDerWaalsContact O-CB 3.28Å; L574-C578 WeakPolarHBondContact O-CB 3.15Å; L574-C578 PolarHBondContact O-N 3.14Å; L574-C578 PolarHBondContact O-SG 3.12Å
575	D	70.2	Confident	54.9	Low	82 Å²	82	98.1 Å²	98.1	44%	0.439	50%	0.5	S	S	.	.	H	α-helix	trans	-69.9	-39.3	-178.1	-66.2	-22.8	0	0	0	111.6	Q571 E572 S579	Q571-D575 PolarHBondContact NE2-OD1 3.46Å; Q571-D575 PolarHBondContact NE2-OD2 3.32Å; Q571-D575 WeakPolarHBondContact O-CB 3.47Å; Q571-D575 PolarHBondContact O-N 3.45Å; E572-D575 PolarHBondContact O-N 3.49Å; D575-S579 WeakPolarHBondContact O-CB 3.28Å; D575-S579 PolarHBondContact O-N 3.34Å; D575-S579 PolarHBondContact O-OG 3.3Å
576	D	67.7	Low	55.3	Low	75 Å²	75	97.2 Å²	97.2	40%	0.401	50%	0.5	S	S	.	.	H	α-helix	trans	-62.9	-45.6	169.3	177.1	47	0	0	0	111.4	E572 C578 S579 R580	E572-D576 WeakPolarHBondContact O-CB 3.31Å; E572-D576 PolarHBondContact O-N 3.02Å; D576-C578 PolarHBondContact O-N 3.38Å; D576-S579 PolarHBondContact O-N 3.13Å; D576-R580 VanDerWaalsContact O-CG 3.29Å; D576-R580 WeakPolarHBondContact O-CG 3.49Å; D576-R580 PolarHBondContact O-N 3.37Å; D576-R580 IonicContact OD1-CZ 3.37Å; D576-R580 IonicContact OD1-NE 3.96Å; D576-R580 PolarHBondContact OD1-NE 3.36Å; D576-R580 IonicContact OD1-NH2 3.26Å; D576-R580 PolarHBondContact OD1-NH2 3.12Å; D576-R580 VanDerWaalsContact OD1-NH2 3.1Å; D576-R580 IonicContact OD2-CZ 3.27Å; D576-R580 VanDerWaalsContact OD2-CZ 3.27Å; D576-R580 IonicContact OD2-NE 2.63Å; D576-R580 PolarHBondContact OD2-NE 3.31Å; D576-R580 IonicContact OD2-NH2 3.33Å; D576-R580 PolarHBondContact OD2-NH2 3.01Å
577	H	65.1	Low	55.5	Low	102 Å²	102	93.7 Å²	93.7	47%	0.472	49%	0.491	S	S	.	.	H	α-helix	trans	-71.4	-32	-177	-155.2	-38.4	0	0	0	112.7	I573 L574 I581	I573-H577 WeakPolarHBondContact O-CB 3.27Å; I573-H577 PolarHBondContact O-N 3.25Å; L574-H577 PolarHBondContact O-N 3.32Å; H577-I581 WeakPolarHBondContact O-CD1 3.27Å; H577-I581 VanDerWaalsContact O-CG1 3.27Å; H577-I581 WeakPolarHBondContact O-CG1 3.13Å; H577-I581 PolarHBondContact O-N 3.27Å
578	C	65.4	Low	55.5	Low	60 Å²	60	96.1 Å²	96.1	41%	0.405	50%	0.495	S	S	.	.	H	α-helix	trans	-72.6	-44.4	169	-77.5	0	0	0	0	111.4	L574 D576 R580 I581 W582	L574-C578 VanDerWaalsContact O-CB 3.28Å; L574-C578 WeakPolarHBondContact O-CB 3.15Å; L574-C578 PolarHBondContact O-N 3.14Å; L574-C578 PolarHBondContact O-SG 3.12Å; D576-C578 PolarHBondContact O-N 3.38Å; C578-R580 VanDerWaalsContact C-N 3.29Å; C578-R580 PolarHBondContact O-N 3.44Å; C578-I581 PolarHBondContact O-N 2.84Å; C578-I581 VanDerWaalsContact O-N 3.14Å; C578-W582 PolarHBondContact O-N 3.38Å
579	S	66.7	Low	55.5	Low	73 Å²	73	94.6 Å²	94.6	51%	0.51	49%	0.49	S	S	.	.	H	α-helix	trans	-58.2	-41	178	-64.6	0	0	0	0	111.6	D575 D576 W582 A583	D575-S579 WeakPolarHBondContact O-CB 3.28Å; D575-S579 PolarHBondContact O-N 3.34Å; D575-S579 PolarHBondContact O-OG 3.3Å; D576-S579 PolarHBondContact O-N 3.13Å; S579-W582 CarbonylContact O-C 3.56Å; S579-W582 PolarHBondContact O-N 2.87Å; S579-A583 WeakPolarHBondContact O-CB 3.32Å; S579-A583 PolarHBondContact O-N 3.46Å
580	R	64	Low	54.8	Low	147 Å²	147	96.6 Å²	96.6	56%	0.555	50%	0.498	S	S	*	.	H	α-helix	trans	-61.8	-45.4	174.8	-70.8	169.2	-164.9	-123.1	10.7	113	D576 C578 W582 A583 D584	D576-R580 VanDerWaalsContact O-CG 3.29Å; D576-R580 WeakPolarHBondContact O-CG 3.49Å; D576-R580 PolarHBondContact O-N 3.37Å; D576-R580 IonicContact OD1-CZ 3.37Å; D576-R580 IonicContact OD1-NE 3.96Å; D576-R580 PolarHBondContact OD1-NE 3.36Å; D576-R580 IonicContact OD1-NH2 3.26Å; D576-R580 PolarHBondContact OD1-NH2 3.12Å; D576-R580 VanDerWaalsContact OD1-NH2 3.1Å; D576-R580 IonicContact OD2-CZ 3.27Å; D576-R580 VanDerWaalsContact OD2-CZ 3.27Å; D576-R580 IonicContact OD2-NE 2.63Å; D576-R580 PolarHBondContact OD2-NE 3.31Å; D576-R580 IonicContact OD2-NH2 3.33Å; D576-R580 PolarHBondContact OD2-NH2 3.01Å; C578-R580 VanDerWaalsContact C-N 3.29Å; C578-R580 PolarHBondContact O-N 3.44Å; R580-W582 PolarHBondContact O-N 2.99Å; R580-W582 VanDerWaalsContact O-N 3.14Å; R580-A583 PolarHBondContact O-N 3.39Å; R580-D584 PolarHBondContact O-N 3.39Å
581	I	56.9	Low	54.3	Low	65 Å²	65	99.3 Å²	99.3	33%	0.333	51%	0.506	S	S	.	.	H	α-helix	trans	-58.9	-27.2	178	-70.1	166.2	0	0	0	111.8	H577 C578	H577-I581 WeakPolarHBondContact O-CD1 3.27Å; H577-I581 VanDerWaalsContact O-CG1 3.27Å; H577-I581 WeakPolarHBondContact O-CG1 3.13Å; H577-I581 PolarHBondContact O-N 3.27Å; C578-I581 PolarHBondContact O-N 2.84Å; C578-I581 VanDerWaalsContact O-N 3.14Å
582	W	52	Low	53.5	Low	192 Å²	192	99.3 Å²	99.3	73%	0.727	51%	0.512	S	S	*	.	H	α-helix	trans	-99.5	-23.4	178.9	-66.8	54.1	0	0	0	112.9	C578 S579 R580	C578-W582 PolarHBondContact O-N 3.38Å; S579-W582 CarbonylContact O-C 3.56Å; S579-W582 PolarHBondContact O-N 2.87Å; R580-W582 PolarHBondContact O-N 2.99Å; R580-W582 VanDerWaalsContact O-N 3.14Å
583	A	48.8	Very low	52.2	Low	47 Å²	47	97.9 Å²	97.9	39%	0.388	51%	0.505	S	S	.	.	H	α-helix	trans	-81.1	-24.4	178.3	0	0	0	0	0	113.3	S579 R580 E585 S586	S579-A583 WeakPolarHBondContact O-CB 3.32Å; S579-A583 PolarHBondContact O-N 3.46Å; R580-A583 PolarHBondContact O-N 3.39Å; A583-E585 PolarHBondContact O-N 2.84Å; A583-S586 PolarHBondContact O-N 2.95Å; A583-S586 PolarHBondContact O-OG 2.82Å
584	D	42.7	Very low	51.1	Low	115 Å²	115	96.6 Å²	96.6	62%	0.615	50%	0.499	S	S	*	.	H	α-helix	trans	-55.5	-16.6	168.7	-74	-15.6	0	0	0	112	R580 M588	R580-D584 PolarHBondContact O-N 3.39Å; D584-M588 WeakPolarHBondContact O-CG 3.33Å
585	E	43.7	Very low	50.2	Low	101 Å²	101	99.2 Å²	99.2	47%	0.472	51%	0.513	S	S	.	.	H	α-helix	trans	-88.9	-14.6	177	-48.4	-156.3	162.1	0	0	114.9	R454 A583	R454-E585 IonicContact CZ-OE1 2.74Å; R454-E585 IonicContact CZ-OE2 3.61Å; R454-E585 IonicContact NE-OE1 3.69Å; R454-E585 PolarHBondContact NE-OE1 3.44Å; R454-E585 IonicContact NH2-OE1 2.79Å; R454-E585 PolarHBondContact NH2-OE1 3.14Å; R454-E585 IonicContact NH2-OE2 3.03Å; R454-E585 PolarHBondContact NH2-OE2 3.07Å; A583-E585 PolarHBondContact O-N 2.84Å
586	S	42.1	Very low	48.6	Very low	69 Å²	69	100.1 Å²	100.1	48%	0.483	52%	0.517	S	S	.	.	H	α-helix	trans	-79.8	-43.6	172.9	59.1	0	0	0	0	112.1	A583 N589 M590	A583-S586 PolarHBondContact O-N 2.95Å; A583-S586 PolarHBondContact O-OG 2.82Å; S586-N589 PolarHBondContact O-N 2.97Å; S586-M590 PolarHBondContact O-N 3.16Å
587	D	41.8	Very low	47.1	Very low	113 Å²	113	99.2 Å²	99.2	60%	0.604	52%	0.517	S	S	*	.	H	α-helix	trans	-77	-37.3	-169.8	-67.8	9	0	0	0	110.9	N589 M590 D591	D587-N589 PolarHBondContact O-N 3.3Å; D587-M590 PolarHBondContact O-N 2.84Å; D587-D591 PolarHBondContact O-N 2.96Å; D587-D591 VanDerWaalsContact O-N 3.15Å
588	M	41.7	Very low	45.6	Very low	134 Å²	134	103.4 Å²	103.4	66%	0.66	53%	0.53	S	S	*	.	H	α-helix	trans	-61.1	-27.6	172.9	-68.4	-73.2	-80.1	0	0	113.2	D584 T592	D584-M588 WeakPolarHBondContact O-CG 3.33Å; M588-T592 WeakPolarHBondContact O-CB 3.46Å; M588-T592 PolarHBondContact O-N 2.95Å; M588-T592 PolarHBondContact O-OG1 3.24Å
589	N	42.9	Very low	44.4	Very low	89 Å²	89	104.9 Å²	104.9	48%	0.476	54%	0.54	S	S	.	.	H	α-helix	trans	-76.5	-37.8	174.5	-164.9	-28.8	0	0	0	111.2	S586 D587 T592 Q593	S586-N589 PolarHBondContact O-N 2.97Å; D587-N589 PolarHBondContact O-N 3.3Å; N589-T592 PolarHBondContact O-N 3.2Å; N589-Q593 PolarHBondContact O-N 3.43Å; N589-Q593 PolarHBondContact OD1-NE2 3.12Å; N589-Q593 VanDerWaalsContact OD1-NE2 3.15Å
590	M	37.1	Very low	42.8	Very low	128 Å²	128	108.3 Å²	108.3	63%	0.631	55%	0.546	S	S	*	.	H	α-helix	trans	-67.4	-44.5	-178.1	-156.9	66.6	178.5	0	0	112.3	S586 D587 Q593 L594	S586-M590 PolarHBondContact O-N 3.16Å; D587-M590 PolarHBondContact O-N 2.84Å; M590-Q593 PolarHBondContact O-N 3.08Å; M590-L594 PolarHBondContact O-N 3.08Å
591	D	39.9	Very low	41.4	Very low	105 Å²	105	112 Å²	112	56%	0.561	56%	0.56	S	S	*	*	H	α-helix	trans	-67.9	-37.3	175.8	-84.2	-19.7	0	0	0	112.3	D587 Q593 L594 L595	D587-D591 PolarHBondContact O-N 2.96Å; D587-D591 VanDerWaalsContact O-N 3.15Å; D591-Q593 VanDerWaalsContact C-N 3.32Å; D591-Q593 PolarHBondContact O-N 2.82Å; D591-L594 PolarHBondContact O-N 2.9Å; D591-L595 WeakPolarHBondContact O-CB 3.13Å; D591-L595 PolarHBondContact O-N 3.05Å
592	T	46.3	Very low	40.5	Very low	79 Å²	79	117.6 Å²	117.6	49%	0.485	59%	0.585	S	S	.	*	H	α-helix	trans	-60.6	-41.9	174.1	-59.8	0	0	0	0	111.2	M588 N589 L596	M588-T592 WeakPolarHBondContact O-CB 3.46Å; M588-T592 PolarHBondContact O-N 2.95Å; M588-T592 PolarHBondContact O-OG1 3.24Å; N589-T592 PolarHBondContact O-N 3.2Å; T592-L596 HydrophobicContact CG2-CD1 4.09Å; T592-L596 WeakPolarHBondContact O-CB 3.37Å; T592-L596 WeakPolarHBondContact O-CD1 3.5Å; T592-L596 VanDerWaalsContact O-CG 3.27Å; T592-L596 WeakPolarHBondContact O-CG 3.44Å; T592-L596 PolarHBondContact O-N 3.31Å
593	Q	38	Very low	39.6	Very low	111 Å²	111	116.3 Å²	116.3	52%	0.519	59%	0.587	S	S	.	*	H	α-helix	trans	-76	-29	176.5	-70.1	-158.3	67.9	0	0	113.9	N589 M590 D591 L596 S597	N589-Q593 PolarHBondContact O-N 3.43Å; N589-Q593 PolarHBondContact OD1-NE2 3.12Å; N589-Q593 VanDerWaalsContact OD1-NE2 3.15Å; M590-Q593 PolarHBondContact O-N 3.08Å; D591-Q593 VanDerWaalsContact C-N 3.32Å; D591-Q593 PolarHBondContact O-N 2.82Å; Q593-L596 PolarHBondContact O-N 2.76Å; Q593-S597 WeakPolarHBondContact O-CB 3.45Å; Q593-S597 PolarHBondContact O-N 3.43Å
594	L	40	Very low	38.8	Very low	85 Å²	85	118.9 Å²	118.9	45%	0.445	60%	0.602	S	S	.	*	H	α-helix	trans	-65.7	-45.1	170.8	-87.1	164.3	0	0	0	111.7	M590 D591 S597 Y598	M590-L594 PolarHBondContact O-N 3.08Å; D591-L594 PolarHBondContact O-N 2.9Å; L594-S597 WeakPolarHBondContact O-CB 3.48Å; L594-S597 PolarHBondContact O-N 2.87Å; L594-S597 VanDerWaalsContact O-N 3.08Å; L594-S597 PolarHBondContact O-OG 2.8Å; L594-Y598 PolarHBondContact O-N 3.36Å
595	L	40.6	Very low	38.2	Very low	111 Å²	111	119.7 Å²	119.7	58%	0.581	61%	0.606	S	S	*	*	H	α-helix	trans	-60.1	-45.6	172.8	-82.4	160.3	0	0	0	112	D591 S597 Y598 S599	D591-L595 WeakPolarHBondContact O-CB 3.13Å; D591-L595 PolarHBondContact O-N 3.05Å; L595-S597 PolarHBondContact O-N 3.27Å; L595-Y598 PolarHBondContact O-N 3.08Å; L595-S599 PolarHBondContact O-N 3.05Å; L595-S599 PolarHBondContact O-OG 3.06Å
596	L	38	Very low	37.5	Very low	102 Å²	102	121.3 Å²	121.3	53%	0.534	62%	0.617	S	S	.	*	H	α-helix	trans	-64.9	-18.4	174.4	-73.3	167.9	0	0	0	113.9	T592 Q593	T592-L596 HydrophobicContact CG2-CD1 4.09Å; T592-L596 WeakPolarHBondContact O-CB 3.37Å; T592-L596 WeakPolarHBondContact O-CD1 3.5Å; T592-L596 VanDerWaalsContact O-CG 3.27Å; T592-L596 WeakPolarHBondContact O-CG 3.44Å; T592-L596 PolarHBondContact O-N 3.31Å; Q593-L596 PolarHBondContact O-N 2.76Å
597	S	36.1	Very low	37	Very low	56 Å²	56	125.1 Å²	125.1	39%	0.392	63%	0.629	S	S	.	*	H	α-helix	trans	-87	-34	174.1	83.2	0	0	0	0	113.2	Q593 L594 L595	Q593-S597 WeakPolarHBondContact O-CB 3.45Å; Q593-S597 PolarHBondContact O-N 3.43Å; L594-S597 WeakPolarHBondContact O-CB 3.48Å; L594-S597 PolarHBondContact O-N 2.87Å; L594-S597 VanDerWaalsContact O-N 3.08Å; L594-S597 PolarHBondContact O-OG 2.8Å; L595-S597 PolarHBondContact O-N 3.27Å
598	Y	33	Very low	36.4	Very low	190 Å²	190	127 Å²	127	75%	0.745	63%	0.634	S	S	*	*	H	α-helix	trans	-73.1	-44.2	177.4	-109.1	-98.1	0	0	0	111.7	L594 L595 K600 R601	L594-Y598 PolarHBondContact O-N 3.36Å; L595-Y598 PolarHBondContact O-N 3.08Å; Y598-K600 PolarHBondContact O-N 2.71Å; Y598-R601 PolarHBondContact O-N 3.28Å
599	S	39.1	Very low	35.9	Very low	90 Å²	90	126.7 Å²	126.7	63%	0.629	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	6.3	177.2	-58.8	0	0	0	0	114.7	L595	L595-S599 PolarHBondContact O-N 3.05Å; L595-S599 PolarHBondContact O-OG 3.06Å
600	K	33.8	Very low	35.2	Very low	146 Å²	146	127.8 Å²	127.8	64%	0.635	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	17.6	174.7	-79.4	-178.8	177.9	169.8	0	114.2	Y598	Y598-K600 PolarHBondContact O-N 2.71Å
601	R	34.7	Very low	34.7	Very low	223 Å²	223	128.1 Å²	128.1	84%	0.842	66%	0.66	S	S	*	*	S	Bend	trans	-122.3	0.5	175.1	-64.4	-166.6	-173.6	-138.4	3.3	116.1	Y598	Y598-R601 PolarHBondContact O-N 3.28Å
602	Q	38.2	Very low	34.3	Very low	184 Å²	184	127.1 Å²	127.1	86%	0.86	66%	0.662	S	S	*	*	S	Bend	trans	-138.5	81	171.7	-69.2	-171.8	-1.9	0	0	110.2
603	Q	32.2	Very low	33.6	Very low	165 Å²	165	128.8 Å²	128.8	77%	0.771	68%	0.676	S	S	*	*			trans	-151.1	71.9	170.9	-162.4	74.5	79.4	0	0	111.2
604	S	32.7	Very low	33.5	Very low	100 Å²	100	131.2 Å²	131.2	70%	0.699	69%	0.688	S	S	*	*			trans	-123.8	135.5	151.6	52.4	0	0	0	0	106.3
605	D	31.2	Very low	33.2	Very low	132 Å²	132	131.4 Å²	131.4	71%	0.706	69%	0.694	S	S	*	*	S	Bend	trans	65.9	93.8	179.9	-45	-40.1	0	0	0	114.5
606	I	29.1	Very low	32.6	Very low	136 Å²	136	132.5 Å²	132.5	70%	0.697	70%	0.7	S	S	*	*				72	103.8	73.7	-64.1	165.4	0	0	0	109.6
607	M	30.5	Very low	32.3	Very low	149 Å²	149	134.2 Å²	134.2	73%	0.734	71%	0.709	S	S	*	*			cis	-139.8	154.3	17.4	-70.4	-71.7	-103.1	0	0	113.8
608	H	30.4	Very low	32	Very low	153 Å²	153	138.9 Å²	138.9	71%	0.708	73%	0.726	S	S	*	*			trans	9.9	142.3	152.2	-54.2	-73	0	0	0	121.7
609	T	29.8	Very low	32	Very low	127 Å²	127	135.1 Å²	135.1	78%	0.779	72%	0.723	S	S	*	*			cis	-160.8	159.5	1.3	8.1	0	0	0	0	111.2
610	P	28	Very low	31.7	Very low	111 Å²	111	135.4 Å²	135.4	72%	0.721	72%	0.723	S	S	*	*			trans	-119.4	161.1	-160.8	41.7	-31.4	0	0	0	119.7
611	V	28.4	Very low	31.5	Very low	135 Å²	135	136.3 Å²	136.3	82%	0.818	72%	0.723	S	S	*	*			trans	-25.1	137	162	177.3	0	0	0	0	120.2
612	S	30.3	Very low	31.4	Very low	85 Å²	85	129.3 Å²	129.3	59%	0.594	71%	0.707	S	S	*	*			trans	19.5	138.5	141.4	-165.1	0	0	0	0	123.1
613	S	31.9	Very low	30.9	Very low	113 Å²	113	124.5 Å²	124.5	79%	0.79	69%	0.693	S	S	*	*			trans	-152.5	139.5	135.5	-76	0	0	0	0	111
614	Q	34.8	Very low	30.8	Very low	162 Å²	162	122.4 Å²	122.4	76%	0.757	69%	0.685	S	S	*	*			trans	-104.7	-150.3	173.8	-56.1	-171.3	-14.3	0	0	108.5
615	P	34.3	Very low	30.6	Very low	90 Å²	90	122.9 Å²	122.9	58%	0.584	68%	0.679	S	S	*	*			cis	-144.4	179.9	-11.7	25.4	1.7	0	0	0	117.8
616	L	29.2	Very low	30.6	Very low	134 Å²	134	123 Å²	123	70%	0.702	69%	0.689	S	S	*	*			trans	127.9	109.7	130.3	-65	-177.5	0	0	0	117.8
617	L	30.9	Very low	30.6	Very low	137 Å²	137	121.7 Å²	121.7	72%	0.717	68%	0.683	S	S	*	*			trans	64	149.5	144.3	-79.5	67.3	0	0	0	118.5
618	M	30.6	Very low	30.5	Very low	154 Å²	154	120.2 Å²	120.2	76%	0.759	68%	0.683	S	S	*	*			cis	-146.9	164.9	4.6	-124.9	-62.2	128.4	0	0	110.8
619	T	31.7	Very low	30.4	Very low	112 Å²	112	120.6 Å²	120.6	69%	0.687	69%	0.689	S	S	*	*			trans	-92.6	160.6	-178	62.9	0	0	0	0	113.4
620	P	33.3	Very low	30.4	Very low	95 Å²	95	120.8 Å²	120.8	62%	0.617	69%	0.69	S	S	*	*				-145.4	-175.4	104.1	38.6	-23.4	0	0	0	115	R192	R192-P620 PolarHBondContact NH2-O 3.15Å
621	Y	28.8	Very low	30.3	Very low	165 Å²	165	121.7 Å²	121.7	65%	0.647	69%	0.689	S	S	*	*			trans	-69.7	168.6	-176	-73.6	-96.5	0	0	0	115.6	H89 R192	H89-Y621 AromaticContact CE1-CZ 3.8Å; H89-Y621 PolarHBondContact CE1-OH 2.9Å; H89-Y621 AromaticContact NE2-CZ 3.98Å; H89-Y621 PolarHBondContact NE2-OH 2.91Å; R192-Y621 PolarHBondContact NH2-O 2.98Å; R192-Y621 VanDerWaalsContact NH2-O 3.11Å
622	P	34.1	Very low	30.4	Very low	77 Å²	77	120.4 Å²	120.4	50%	0.5	69%	0.686	S	S	.	*				-135.1	151.3	127.3	35.3	-22.8	0	0	0	113.7	L188	L188-P622 HydrophobicContact CD1-CG 3.79Å; L188-P622 HydrophobicContact CD2-CG 3.77Å; L188-P622 HydrophobicContact CG-CG 4.45Å
623	S	26.5	Very low	30.3	Very low	82 Å²	82	124 Å²	124	57%	0.573	70%	0.695	S	S	*	*			trans	-103.1	151.1	162.4	56.6	0	0	0	0	109.9
624	M	29.9	Very low	30.3	Very low	122 Å²	122	127 Å²	127	60%	0.601	69%	0.694	S	S	*	*			trans	178.7	160.9	135.9	-97.6	-49.6	108.7	0	0	113	Y1316	M624-Y1316 VanDerWaalsContact CE-OH 3.25Å; M624-Y1316 WeakPolarHBondContact CE-OH 3.39Å
625	L	29	Very low	30.3	Very low	110 Å²	110	128.8 Å²	128.8	58%	0.576	70%	0.702	S	S	*	*			trans	-77	163.7	177.2	-60.1	156.2	0	0	0	112.7	R1325	L625-R1325 VanDerWaalsContact CD1-NH2 3.3Å
626	C	30.6	Very low	30	Very low	134 Å²	134	131.4 Å²	131.4	91%	0.905	71%	0.711	S	S	*	*			trans	-145.7	146.2	138.2	-92.8	0	0	0	0	110.3
627	D	30.4	Very low	30.1	Very low	108 Å²	108	131.1 Å²	131.1	58%	0.578	72%	0.715	S	S	*	*			trans	-95.4	148.8	-172.5	-81.7	-39.4	0	0	0	113.3	K1419	D627-K1419 IonicContact OD2-NZ 2.6Å; D627-K1419 PolarHBondContact OD2-NZ 3.31Å
628	T	28.3	Very low	30.1	Very low	118 Å²	118	130.6 Å²	130.6	72%	0.724	72%	0.718	S	S	*	*			trans	-9.4	129.3	152.7	-29.1	0	0	0	0	118.4
629	L	27.1	Very low	30.1	Very low	161 Å²	161	126.7 Å²	126.7	84%	0.843	72%	0.716	S	S	*	*				177.3	171.7	110.3	-97.5	172.7	0	0	0	116.3
630	V	29.6	Very low	29.9	Very low	132 Å²	132	129.3 Å²	129.3	80%	0.8	73%	0.725	S	S	*	*			trans	82.5	93.7	173.1	-168.2	0	0	0	0	116.8
631	N	27.5	Very low	29.7	Very low	129 Å²	129	130.9 Å²	130.9	69%	0.69	73%	0.732	S	S	*	*			trans	-154.6	116.6	143.9	-141.2	84	0	0	0	108.2	K173	K173-N631 PolarHBondContact NZ-OD1 2.98Å
632	S	29	Very low	29.8	Very low	108 Å²	108	133.8 Å²	133.8	76%	0.755	74%	0.742	S	S	*	*			trans	-145.9	160.2	177.5	-169.8	0	0	0	0	110.5
633	M	29.6	Very low	29.5	Very low	161 Å²	161	137.5 Å²	137.5	79%	0.793	76%	0.758	S	S	*	*			trans	62.7	94.4	-160.1	-65.2	179.5	-77.7	0	0	111.9
634	K	30.6	Very low	29.7	Very low	177 Å²	177	137 Å²	137	77%	0.77	77%	0.766	S	S	*	*				69.5	115.2	70.2	-68.5	177.1	176.9	-178.5	0	112.6
635	H	35.4	Very low	29.6	Very low	199 Å²	199	136.2 Å²	136.2	92%	0.921	77%	0.772	S	S	*	*				-150.5	133.6	115.3	-91.2	-75	0	0	0	108.1
636	N	28	Very low	29.7	Very low	145 Å²	145	137.1 Å²	137.1	78%	0.775	78%	0.778	S	S	*	*			trans	-96.6	149.9	-179.9	-80.8	-3	0	0	0	111.2
637	T	31.3	Very low	29.5	Very low	128 Å²	128	138.2 Å²	138.2	79%	0.785	77%	0.773	S	S	*	*			trans	178.4	97.6	145.9	-74.4	0	0	0	0	106.3
638	T	31.4	Very low	29.4	Very low	126 Å²	126	138.2 Å²	138.2	77%	0.773	78%	0.777	S	S	*	*				55.3	127.9	72.6	67.2	0	0	0	0	114.4
639	G	29.2	Very low	29.4	Very low	71 Å²	71	140.9 Å²	140.9	73%	0.732	78%	0.781	S	S	*	*			cis	-138.5	-145.8	-0.1	0	0	0	0	0	111.3
640	I	29	Very low	29.3	Very low	168 Å²	168	144.3 Å²	144.3	86%	0.862	78%	0.784	S	S	*	*			cis	-144.5	156.7	10.7	-69.9	175.9	0	0	0	109.1
641	V	28.3	Very low	29.2	Very low	128 Å²	128	147 Å²	147	78%	0.776	79%	0.788	S	S	*	*			trans	-121.4	146.2	-176.8	173.6	0	0	0	0	112.2
642	R	30.3	Very low	29.1	Very low	226 Å²	226	148.4 Å²	148.4	85%	0.853	80%	0.795	S	S	*	*			trans	-174.3	148.8	156.3	-99.6	159.1	-171	-165.2	3.1	108.4
643	N	28.6	Very low	29.1	Very low	154 Å²	154	153.1 Å²	153.1	82%	0.824	80%	0.802	S	S	*	*			cis	-162.6	145.8	-19	-117.2	22.9	0	0	0	107
644	G	30.7	Very low	29.2	Very low	72 Å²	72	155.2 Å²	155.2	74%	0.742	81%	0.807	S	S	*	*			trans	-173.2	24.2	-171.9	0	0	0	0	0	122.3
645	S	28.9	Very low	28.9	Very low	106 Å²	106	151.8 Å²	151.8	74%	0.741	81%	0.805	S	S	*	*			trans	47.9	134.7	152.3	-51.1	0	0	0	0	124.2
646	N	30	Very low	28.6	Very low	129 Å²	129	148.5 Å²	148.5	69%	0.69	80%	0.799	S	S	*	*			trans	78.5	128	158	-49.8	-16.4	0	0	0	117.1
647	I	26.8	Very low	28.6	Very low	156 Å²	156	150.1 Å²	150.1	80%	0.8	80%	0.802	S	S	*	*			cis	75.7	128.6	33.3	-50.8	161.8	0	0	0	111.1
648	T	28.8	Very low	28.5	Very low	108 Å²	108	152.9 Å²	152.9	66%	0.663	81%	0.806	S	S	*	*			cis	-120.5	146.7	12.1	45.2	0	0	0	0	112.5
649	E	26.6	Very low	28.3	Very low	175 Å²	175	152.8 Å²	152.8	82%	0.818	81%	0.81	S	S	*	*				55.3	106.2	77	-173.5	177	-134.3	0	0	115.9
650	Y	26.2	Very low	28.2	Very low	232 Å²	232	161 Å²	161	91%	0.91	82%	0.819	S	S	*	*			trans	-168.1	81.6	158.5	-112.6	-68.1	0	0	0	113.5
651	E	27.5	Very low	28.1	Very low	189 Å²	189	161.6 Å²	161.6	88%	0.883	82%	0.823	S	S	*	*			trans	-130.7	93.9	161.1	-91.9	-149.5	146.3	0	0	110.6
652	L	25.9	Very low	28	Very low	159 Å²	159	160.5 Å²	160.5	83%	0.832	83%	0.828	S	S	*	*			trans	-175.1	92.1	146.1	-131.3	72.6	0	0	0	112.8
653	K	27.4	Very low	27.8	Very low	206 Å²	206	154.2 Å²	154.2	90%	0.896	82%	0.824	S	S	*	*			trans	-168.9	78.4	156	-116.5	165.2	-174.2	173.2	0	115.6
654	K	32.1	Very low	27.7	Very low	206 Å²	206	153.3 Å²	153.3	90%	0.896	82%	0.823	S	S	*	*			trans	-151.4	61.1	149.9	-154.2	167.1	-173.5	173	0	113
655	S	25.6	Very low	27.5	Very low	105 Å²	105	155.9 Å²	155.9	73%	0.734	82%	0.824	S	S	*	*			trans	-116.3	62.4	-177.7	38.2	0	0	0	0	112.2
656	T	28	Very low	27.4	Very low	129 Å²	129	156.4 Å²	156.4	79%	0.791	82%	0.823	S	S	*	*			trans	-147.7	152.6	164.9	13.1	0	0	0	0	109.9
657	E	27.6	Very low	27.2	Very low	180 Å²	180	153.9 Å²	153.9	84%	0.841	82%	0.816	S	S	*	*	S	Bend	trans	61.9	80.2	176.5	-55.5	-163.6	148.7	0	0	117.4
658	Q	30.4	Very low	27.3	Very low	186 Å²	186	148.7 Å²	148.7	87%	0.869	79%	0.793	S	S	*	*	S	Bend		-175.9	155.9	97.1	-93.8	171.8	28.1	0	0	111.6
659	S	27.4	Very low	27.2	Very low	123 Å²	123	147.8 Å²	147.8	86%	0.86	78%	0.783	S	S	*	*			trans	90.4	65	178.9	-45.2	0	0	0	0	118.1
660	R	26.4	Very low	27.2	Very low	244 Å²	244	146.1 Å²	146.1	92%	0.921	78%	0.775	S	S	*	*			trans	-95.6	112.7	140.2	-87.4	-175.7	168.6	177.3	-3.6	108.1
661	L	27	Very low	27.2	Very low	180 Å²	180	139 Å²	139	94%	0.942	76%	0.759	S	S	*	*			trans	167.2	76.4	152.6	-95.4	173.1	0	0	0	111.4
662	A	25.3	Very low	27.2	Very low	106 Å²	106	135 Å²	135	88%	0.876	75%	0.752	S	S	*	*			trans	-167	82.2	165.6	0	0	0	0	0	114.2
663	A	27.4	Very low	27.1	Very low	93 Å²	93	133.3 Å²	133.3	77%	0.769	75%	0.753	S	S	*	*			trans	-166.6	112.2	158	0	0	0	0	0	106
664	V	25.3	Very low	27.3	Very low	135 Å²	135	129.7 Å²	129.7	82%	0.818	75%	0.748	S	S	*	*				67.2	109.8	59.7	-170.3	0	0	0	0	110
665	V	26.5	Very low	27.3	Very low	126 Å²	126	125.3 Å²	125.3	76%	0.764	74%	0.74	S	S	*	*				-177.3	136.5	103.3	150.1	0	0	0	0	110.4
666	V	27.2	Very low	27.5	Very low	117 Å²	117	125.5 Å²	125.5	71%	0.709	74%	0.742	S	S	*	*			trans	51.8	106.8	151.7	170.8	0	0	0	0	119.2
667	S	26.8	Very low	27.5	Very low	77 Å²	77	124.2 Å²	124.2	54%	0.538	74%	0.738	S	S	.	*				71.7	150.6	86.9	86.6	0	0	0	0	115.7	N695	S667-N695 VanDerWaalsContact C-ND2 3.34Å; S667-N695 PolarHBondContact O-ND2 2.99Å; S667-N695 PolarHBondContact O-OD1 3.15Å; S667-N695 PolarHBondContact OG-OD1 3.07Å
668	S	28.3	Very low	27.6	Very low	46 Å²	46	121.8 Å²	121.8	32%	0.322	73%	0.73	S	S	.	*			cis	-171.1	-167.5	-11.5	44.4	0	0	0	0	112.9	D694 N695 S696	S668-D694 CarbonylContact O-C 3.6Å; S668-D694 WeakPolarHBondContact O-CA 3.41Å; S668-N695 VanDerWaalsContact N-CG 3.27Å; S668-N695 PolarHBondContact N-ND2 3.08Å; S668-N695 PolarHBondContact N-OD1 2.65Å; S668-N695 WeakPolarHBondContact O-CA 3.28Å; S668-N695 PolarHBondContact O-N 3.27Å; S668-N695 PolarHBondContact OG-OD1 3.47Å; S668-S696 WeakPolarHBondContact OG-CA 3.28Å; S668-S696 PolarHBondContact OG-N 2.86Å
669	I	25.7	Very low	27.7	Very low	89 Å²	89	118.8 Å²	118.8	46%	0.456	72%	0.72	S	S	.	*			trans	64.6	-152.6	160.3	-55.6	-171.6	0	0	0	121.7	P693 D694 S696	I669-P693 WeakPolarHBondContact O-CB 3.36Å; I669-D694 CarbonylContact C-O 3.48Å; I669-D694 WeakPolarHBondContact CA-O 3.18Å; I669-D694 WeakPolarHBondContact CB-O 3.46Å; I669-D694 WeakPolarHBondContact CG2-O 3.5Å; I669-S696 VanDerWaalsContact CD1-N 3.35Å; I669-S696 VanDerWaalsContact CD1-O 3.31Å; I669-S696 WeakPolarHBondContact CD1-O 3.46Å
670	E	27	Very low	28	Very low	140 Å²	140	119.2 Å²	119.2	65%	0.654	71%	0.713	S	S	*	*			trans	-72.9	126.6	-146.2	-80.3	144.1	-142.3	0	0	118.3	P693 D694	E670-P693 CarbonylContact O-C 3.54Å; E670-P693 WeakPolarHBondContact O-CA 3.47Å; E670-D694 PolarHBondContact N-O 2.97Å; E670-D694 PolarHBondContact O-N 3.3Å
671	S	26.4	Very low	28.3	Very low	82 Å²	82	113.3 Å²	113.3	57%	0.573	70%	0.7	S	S	*	*				69.9	104.6	66.6	77.6	0	0	0	0	118.8	I692	S671-I692 PolarHBondContact N-O 2.97Å
672	S	26.6	Very low	28.5	Very low	105 Å²	105	110.4 Å²	110.4	73%	0.734	69%	0.685	S	S	*	*				149.3	154.6	123.9	66.1	0	0	0	0	117.8
673	C	24.7	Very low	28.7	Very low	125 Å²	125	111.4 Å²	111.4	85%	0.845	68%	0.676	S	S	*	*			trans	73.8	155.4	154.4	-66.3	0	0	0	0	122.6
674	V	32.4	Very low	28.8	Very low	130 Å²	130	113.3 Å²	113.3	79%	0.788	67%	0.673	S	S	*	*			trans	-147.2	143.8	-169	177.9	0	0	0	0	111.3
675	P	31.9	Very low	29.2	Very low	113 Å²	113	114.1 Å²	114.1	73%	0.734	67%	0.673	S	S	*	*			trans	-128	145.2	141	35	-22.3	0	0	0	111.1
676	S	28.4	Very low	29.3	Very low	110 Å²	110	115.2 Å²	115.2	77%	0.769	67%	0.674	S	S	*	*				58	131.4	64.3	-66.8	0	0	0	0	113.2
677	S	29.5	Very low	29.7	Very low	102 Å²	102	117.3 Å²	117.3	71%	0.713	68%	0.682	S	S	*	*			cis	-158	-160.6	-6.9	-141.3	0	0	0	0	107.9
678	N	29.3	Very low	30	Very low	128 Å²	128	121.7 Å²	121.7	68%	0.684	70%	0.699	S	S	*	*			cis	-161	169.5	9.1	-140	17.8	0	0	0	110.6
679	N	32.4	Very low	30.3	Very low	123 Å²	123	130.2 Å²	130.2	66%	0.658	72%	0.724	S	S	*	*			trans	64.8	133.3	163	-53.9	-9.5	0	0	0	116.9
680	N	32.7	Very low	30.6	Very low	132 Å²	132	131.9 Å²	131.9	71%	0.706	74%	0.739	S	S	*	*			cis	-168.1	158.9	3.1	-114	-6.1	0	0	0	108.1
681	N	33	Very low	30.9	Very low	121 Å²	121	129.3 Å²	129.3	65%	0.647	74%	0.742	S	S	*	*			cis	-160.6	179.8	-10.7	-157.5	4.6	0	0	0	109.6
682	N	31.2	Very low	31.2	Very low	119 Å²	119	132.1 Å²	132.1	64%	0.636	75%	0.749	S	S	*	*			trans	43.1	118.5	161	-63.9	1.2	0	0	0	119
683	N	30.4	Very low	31.6	Very low	127 Å²	127	130.9 Å²	130.9	68%	0.679	74%	0.738	S	S	*	*			cis	-154.4	147.1	11.8	-99.5	-14.8	0	0	0	113.3
684	N	28.5	Very low	31.9	Very low	132 Å²	132	129.9 Å²	129.9	71%	0.706	73%	0.725	S	S	*	*			trans	73.7	111.8	152.2	-61.2	-5.4	0	0	0	121.5
685	N	34.2	Very low	31.9	Very low	153 Å²	153	126.9 Å²	126.9	82%	0.818	70%	0.704	S	S	*	*			trans	90	120	145.7	-56.3	-12.4	0	0	0	118.6
686	N	28.4	Very low	31.9	Very low	148 Å²	148	124.7 Å²	124.7	79%	0.791	69%	0.692	S	S	*	*			trans	-111.2	157.2	-164.9	-61.4	-34.7	0	0	0	113.8
687	N	35.4	Very low	32.2	Very low	162 Å²	162	127.2 Å²	127.2	87%	0.866	69%	0.691	S	S	*	*				175.8	149.9	116.9	-82.2	-21.4	0	0	0	111.2
688	N	33.3	Very low	32.2	Very low	168 Å²	168	132.4 Å²	132.4	90%	0.898	70%	0.695	S	S	*	*			trans	-137.5	-159.9	-151.9	-129.3	-23.9	0	0	0	117.9
689	R	35.2	Very low	32.2	Very low	225 Å²	225	135.1 Å²	135.1	85%	0.849	70%	0.695	S	S	*	*			trans	-112.8	-177.5	-144.8	-133.6	-177	179.8	-161.2	2.5	119
690	T	32.6	Very low	32	Very low	124 Å²	124	138.1 Å²	138.1	76%	0.761	70%	0.698	S	S	*	*			trans	-74.3	171.9	-172.4	48.7	0	0	0	0	119.7
691	A	32.8	Very low	31.8	Very low	87 Å²	87	139.3 Å²	139.3	72%	0.719	70%	0.698	S	S	*	*			cis	178.5	-136	-17.4	0	0	0	0	0	111.7
692	I	31.7	Very low	31.6	Very low	140 Å²	140	140.1 Å²	140.1	72%	0.718	70%	0.701	S	S	*	*			trans	88.4	174.3	161.5	11.6	-177.1	0	0	0	121.7	S671	S671-I692 PolarHBondContact N-O 2.97Å
693	P	35.8	Very low	31.5	Very low	80 Å²	80	140.4 Å²	140.4	52%	0.519	71%	0.708	S	S	.	*			trans	-138.5	175.3	-132.8	46.7	-26	0	0	0	121.3	I669 E670	I669-P693 WeakPolarHBondContact O-CB 3.36Å; E670-P693 CarbonylContact O-C 3.54Å; E670-P693 WeakPolarHBondContact O-CA 3.47Å
694	D	31.3	Very low	31.5	Very low	104 Å²	104	138.7 Å²	138.7	56%	0.556	71%	0.711	S	S	*	*			trans	-171.6	171.8	136.5	-130.3	-47.4	0	0	0	118.2	S668 I669 E670	S668-D694 CarbonylContact O-C 3.6Å; S668-D694 WeakPolarHBondContact O-CA 3.41Å; I669-D694 CarbonylContact C-O 3.48Å; I669-D694 WeakPolarHBondContact CA-O 3.18Å; I669-D694 WeakPolarHBondContact CB-O 3.46Å; I669-D694 WeakPolarHBondContact CG2-O 3.5Å; E670-D694 PolarHBondContact N-O 2.97Å; E670-D694 PolarHBondContact O-N 3.3Å
695	N	31.8	Very low	31.7	Very low	67 Å²	67	138.5 Å²	138.5	36%	0.358	72%	0.72	S	S	.	*			trans	-64.6	149.6	-140.8	-101.2	-72.5	0	0	0	129.5	S667 S668	S667-N695 VanDerWaalsContact C-ND2 3.34Å; S667-N695 PolarHBondContact O-ND2 2.99Å; S667-N695 PolarHBondContact O-OD1 3.15Å; S667-N695 PolarHBondContact OG-OD1 3.07Å; S668-N695 VanDerWaalsContact N-CG 3.27Å; S668-N695 PolarHBondContact N-ND2 3.08Å; S668-N695 PolarHBondContact N-OD1 2.65Å; S668-N695 WeakPolarHBondContact O-CA 3.28Å; S668-N695 PolarHBondContact O-N 3.27Å; S668-N695 PolarHBondContact OG-OD1 3.47Å
696	S	31.4	Very low	31.6	Very low	67 Å²	67	134.3 Å²	134.3	47%	0.469	71%	0.713	S	S	.	*				117	130	127.9	78.9	0	0	0	0	126	S668 I669	S668-S696 WeakPolarHBondContact OG-CA 3.28Å; S668-S696 PolarHBondContact OG-N 2.86Å; I669-S696 VanDerWaalsContact CD1-N 3.35Å; I669-S696 VanDerWaalsContact CD1-O 3.31Å; I669-S696 WeakPolarHBondContact CD1-O 3.46Å
697	H	34.2	Very low	31.7	Very low	163 Å²	163	130.9 Å²	130.9	76%	0.755	71%	0.713	S	S	*	*			trans	62	123	140.2	-81.3	-27.1	0	0	0	128.8
698	R	30.5	Very low	31.3	Very low	210 Å²	210	130.6 Å²	130.6	79%	0.792	71%	0.711	S	S	*	*				76.5	123.7	129.4	-83.3	-176.2	173.3	-178.3	2.2	123.8
699	R	29.4	Very low	31.2	Very low	185 Å²	185	129.8 Å²	129.8	70%	0.698	71%	0.712	S	S	*	*				93.5	97.9	124.3	-172.5	179.6	-91.6	-147.7	0	120.8
700	R	27.9	Very low	30.9	Very low	187 Å²	187	123 Å²	123	71%	0.706	70%	0.699	S	S	*	*			trans	74.2	119.2	132.1	-72.1	179.2	-177.9	-179.2	-1.9	122.5
701	H	28.3	Very low	30.6	Very low	156 Å²	156	125.8 Å²	125.8	72%	0.722	70%	0.697	S	S	*	*				86.6	142.7	123.3	-76.1	-46.4	0	0	0	123.3
702	I	30.2	Very low	30.4	Very low	138 Å²	138	130.3 Å²	130.3	71%	0.708	70%	0.695	S	S	*	*			trans	74.2	93.3	142	-73.6	166.2	0	0	0	115
703	T	28.1	Very low	30	Very low	126 Å²	126	128.5 Å²	128.5	77%	0.773	70%	0.695	S	S	*	*				73.1	148.6	80.6	57.5	0	0	0	0	114.4
704	A	31.2	Very low	29.7	Very low	90 Å²	90	133.3 Å²	133.3	74%	0.744	71%	0.708	S	S	*	*			cis	-177	-166.4	-15.2	0	0	0	0	0	108.3
705	S	31.9	Very low	29.5	Very low	129 Å²	129	133.2 Å²	133.2	90%	0.902	72%	0.715	S	S	*	*			trans	81.5	143.8	165.7	-152	0	0	0	0	116.4
706	G	32.5	Very low	29.2	Very low	64 Å²	64	141 Å²	141	66%	0.66	74%	0.74	S	S	*	*			cis	170.1	-175.9	-8.9	0	0	0	0	0	114.6
707	G	30.1	Very low	29.1	Very low	77 Å²	77	143 Å²	143	79%	0.794	75%	0.752	S	S	*	*			trans	105.7	146.8	-178	0	0	0	0	0	113.7
708	N	28.1	Very low	28.7	Very low	156 Å²	156	141.9 Å²	141.9	83%	0.834	75%	0.751	S	S	*	*			cis	-160.3	90.3	-5.2	-157.7	8.9	0	0	0	113.7
709	V	30	Very low	28.6	Very low	151 Å²	151	140.5 Å²	140.5	92%	0.915	75%	0.751	S	S	*	*			trans	-154.2	138.2	153.1	-175.4	0	0	0	0	108.1
710	S	28.7	Very low	28.3	Very low	82 Å²	82	135.8 Å²	135.8	57%	0.573	75%	0.751	S	S	*	*			cis	179.6	129.8	-34.5	-173.4	0	0	0	0	105.6
711	Y	26.5	Very low	28.3	Very low	183 Å²	183	134.2 Å²	134.2	72%	0.718	76%	0.757	S	S	*	*			trans	72.2	123.4	167.5	-74.7	-60.6	0	0	0	123.9
712	R	28.5	Very low	28.4	Very low	182 Å²	182	134 Å²	134	69%	0.687	76%	0.76	S	S	*	*			trans	64.3	105.5	145	-66.6	156.7	-153.3	-88.4	-0.9	115.7
713	S	24.6	Very low	28.2	Very low	102 Å²	102	138.1 Å²	138.1	71%	0.713	77%	0.767	S	S	*	*			cis	70.2	152.5	42.7	-37.9	0	0	0	0	114.5
714	F	28.4	Very low	28.3	Very low	181 Å²	181	137 Å²	137	79%	0.794	77%	0.765	S	S	*	*			trans	74.4	143.3	-172.8	-51.6	-74.3	0	0	0	114.5
715	S	28.3	Very low	28.2	Very low	101 Å²	101	140.6 Å²	140.6	71%	0.706	77%	0.769	S	S	*	*			cis	153.5	149.3	-22	-92.7	0	0	0	0	105.8	P717	S715-P717 VanDerWaalsContact O-CD 3.27Å; S715-P717 WeakPolarHBondContact O-CD 3.48Å
716	R	25.5	Very low	28.1	Very low	230 Å²	230	138.5 Å²	138.5	87%	0.868	76%	0.76	S	S	*	*			trans	-60.2	136.3	-178.4	-60.6	175.8	175.5	-170.2	-3.8	113.2
717	P	28.3	Very low	27.8	Very low	111 Å²	111	140.1 Å²	140.1	72%	0.721	76%	0.761	S	S	*	*				-111.4	145.4	121.5	33.9	-30.4	0	0	0	109	S715	S715-P717 VanDerWaalsContact O-CD 3.27Å; S715-P717 WeakPolarHBondContact O-CD 3.48Å
718	N	25.2	Very low	27.9	Very low	138 Å²	138	148.5 Å²	148.5	74%	0.738	77%	0.769	S	S	*	*			cis	65.7	111.1	11.6	-157.1	5.6	0	0	0	116.3
719	K	28.3	Very low	27.7	Very low	181 Å²	181	147.2 Å²	147.2	79%	0.787	76%	0.762	S	S	*	*			trans	65.5	128.5	-172.8	-62.1	176.8	-177.8	-178.9	0	112.6
720	A	24	Very low	27.6	Very low	87 Å²	87	145.3 Å²	145.3	72%	0.719	76%	0.756	S	S	*	*			cis	79.6	146.1	49.6	0	0	0	0	0	113.1
721	D	26.7	Very low	27.6	Very low	153 Å²	153	144.7 Å²	144.7	82%	0.818	76%	0.762	S	S	*	*			trans	71.9	158.9	-173.6	-71.3	-54.4	0	0	0	118.7
722	L	30.6	Very low	27.8	Very low	152 Å²	152	142.5 Å²	142.5	80%	0.796	77%	0.767	S	S	*	*			trans	72.4	87.6	175.9	-49	-175.2	0	0	0	115.6
723	R	26.2	Very low	27.7	Very low	225 Å²	225	139.7 Å²	139.7	85%	0.849	77%	0.77	S	S	*	*				66.2	109	69.3	-63.4	-179.6	166.8	-164.8	-4.1	115.2
724	S	30.4	Very low	27.9	Very low	103 Å²	103	139.2 Å²	139.2	72%	0.72	77%	0.767	S	S	*	*			trans	-156.2	113.1	138	-78.3	0	0	0	0	107.1
725	I	28.4	Very low	27.9	Very low	165 Å²	165	136.8 Å²	136.8	85%	0.846	76%	0.762	S	S	*	*				63.8	114.8	102.2	-59.2	156.8	0	0	0	110.8
726	A	31.2	Very low	28	Very low	85 Å²	85	143 Å²	143	70%	0.702	77%	0.771	S	S	*	*			cis	-142.9	152.6	8.7	0	0	0	0	0	109.1
727	S	26	Very low	28.1	Very low	98 Å²	98	141.4 Å²	141.4	69%	0.685	77%	0.767	S	S	*	*			cis	90.4	66.3	37.8	-171.9	0	0	0	0	115.7
728	W	31.5	Very low	28	Very low	253 Å²	253	141.6 Å²	141.6	96%	0.958	76%	0.758	S	S	*	*			trans	-149.7	111.7	149.7	-64.6	74.2	0	0	0	105.2
729	D	25.5	Very low	28.3	Very low	129 Å²	129	144.5 Å²	144.5	69%	0.69	76%	0.764	S	S	*	*			cis	81.3	121.4	5.8	-152.1	2.1	0	0	0	118.6
730	S	27	Very low	28.4	Very low	111 Å²	111	142 Å²	142	78%	0.776	75%	0.754	S	S	*	*			trans	70.7	140	156.2	-74.3	0	0	0	0	123.1
731	G	28.1	Very low	28.5	Very low	69 Å²	69	145.8 Å²	145.8	71%	0.711	76%	0.756	S	S	*	*			trans	94	130.8	179.5	0	0	0	0	0	112.9
732	V	30.5	Very low	28.7	Very low	137 Å²	137	149.3 Å²	149.3	83%	0.83	76%	0.758	S	S	*	*			cis	-141.9	115.8	5.9	168.6	0	0	0	0	105.8
733	V	27.7	Very low	28.7	Very low	122 Å²	122	148.7 Å²	148.7	74%	0.739	76%	0.755	S	S	*	*				87.1	125.9	67.7	165.1	0	0	0	0	114.5
734	S	28.7	Very low	28.8	Very low	93 Å²	93	145.3 Å²	145.3	65%	0.65	75%	0.748	S	S	*	*			trans	77.3	117.4	160.5	-72.5	0	0	0	0	122.4
735	N	28.9	Very low	28.8	Very low	129 Å²	129	147 Å²	147	69%	0.69	74%	0.744	S	S	*	*			trans	60.7	137.2	134.1	-58.6	-23.3	0	0	0	119.5
736	Y	29.4	Very low	29	Very low	231 Å²	231	146.2 Å²	146.2	91%	0.906	74%	0.737	S	S	*	*			cis	-119.5	153	36.8	-98.4	-103.3	0	0	0	116.5
737	Y	26.9	Very low	28.9	Very low	197 Å²	197	149.4 Å²	149.4	77%	0.773	74%	0.737	S	S	*	*			trans	-117.6	132.3	178.5	-118.7	-109.1	0	0	0	110.6
738	E	26.5	Very low	29.2	Very low	115 Å²	115	151.4 Å²	151.4	54%	0.537	74%	0.735	S	S	.	*				38.5	122.4	130	-164.6	-166.3	-128.8	0	0	121.4	K740	E738-K740 HydrophobicContact CG-CD 4.43Å; E738-K740 HydrophobicContact CG-CG 3.98Å; E738-K740 IonicContact OE1-NZ 2.62Å; E738-K740 PolarHBondContact OE1-NZ 3.4Å; E738-K740 IonicContact OE2-NZ 2.67Å; E738-K740 PolarHBondContact OE2-NZ 3.09Å
739	K	31.1	Very low	29.2	Very low	199 Å²	199	145.4 Å²	145.4	87%	0.865	72%	0.722	S	S	*	*			trans	-160.1	113.4	134	-108.8	154.7	-176.5	172.1	0	109.6
740	K	30.6	Very low	29.7	Very low	129 Å²	129	145.9 Å²	145.9	56%	0.561	72%	0.724	S	S	*	*				78.7	111	60.5	-82.7	-173.7	153.9	84.3	0	114.6	E738	E738-K740 HydrophobicContact CG-CD 4.43Å; E738-K740 HydrophobicContact CG-CG 3.98Å; E738-K740 IonicContact OE1-NZ 2.62Å; E738-K740 PolarHBondContact OE1-NZ 3.4Å; E738-K740 IonicContact OE2-NZ 2.67Å; E738-K740 PolarHBondContact OE2-NZ 3.09Å
741	H	27.5	Very low	30.2	Very low	166 Å²	166	147.4 Å²	147.4	77%	0.769	72%	0.723	S	S	*	*			trans	33.6	134.6	147.1	-49.7	-88.9	0	0	0	120.9
742	R	29.6	Very low	30.5	Very low	227 Å²	227	150.6 Å²	150.6	86%	0.857	72%	0.724	S	S	*	*				-176.4	137.5	94.8	-99.4	176.2	171.3	167.9	-2.1	115.7
743	L	30.7	Very low	30.6	Very low	140 Å²	140	150 Å²	150	73%	0.733	72%	0.715	S	S	*	*			trans	62.7	111	138.4	-64.1	167.6	0	0	0	122.3
744	H	28.2	Very low	30.8	Very low	154 Å²	154	152.5 Å²	152.5	71%	0.713	72%	0.72	S	S	*	*				73	138.5	128.3	-99.7	-100.3	0	0	0	123.5
745	H	30.6	Very low	31.1	Very low	138 Å²	138	154.1 Å²	154.1	64%	0.639	72%	0.722	S	S	*	*			trans	76	117.9	155	-76.4	-62.1	0	0	0	122.3
746	H	32.5	Very low	31.4	Very low	148 Å²	148	155.4 Å²	155.4	69%	0.685	73%	0.729	S	S	*	*			trans	72.3	106.4	133	-75.3	-46.3	0	0	0	121.9
747	H	30.1	Very low	32.1	Very low	153 Å²	153	149.4 Å²	149.4	71%	0.708	72%	0.716	S	S	*	*				76.1	143.1	121.2	-99.6	-61.6	0	0	0	121
748	H	32.7	Very low	32.9	Very low	139 Å²	139	144.3 Å²	144.3	64%	0.644	71%	0.705	S	S	*	*			trans	72.3	95.8	160.8	-70.2	-65.2	0	0	0	118
749	D	30.6	Very low	33.7	Very low	128 Å²	128	144.7 Å²	144.7	68%	0.684	71%	0.711	S	S	*	*				71	155	116.7	-51.3	-10.5	0	0	0	121.2
750	D	36.7	Very low	34.3	Very low	139 Å²	139	139.7 Å²	139.7	74%	0.743	70%	0.698	S	S	*	*			trans	66.3	104.8	160.6	-63.8	-16.6	0	0	0	121.7
751	L	35.8	Very low	34.9	Very low	143 Å²	143	136 Å²	136	75%	0.749	69%	0.691	S	S	*	*				79.1	153.1	129.2	-62.7	170	0	0	0	120.7
752	D	34.4	Very low	36.1	Very low	136 Å²	136	131.3 Å²	131.3	73%	0.727	68%	0.677	S	S	*	*			trans	63	147.6	155	-64.2	-4.5	0	0	0	120.2
753	I	32.5	Very low	37	Very low	125 Å²	125	126.2 Å²	126.2	64%	0.641	67%	0.665	S	S	*	*			cis	-166.3	139.1	-32.3	-124.8	166.4	0	0	0	108
754	M	32.3	Very low	38	Very low	173 Å²	173	124.2 Å²	124.2	85%	0.852	66%	0.655	S	S	*	*			trans	55.7	155.2	160	-61.8	-172.3	-66.5	0	0	123.5
755	D	34.7	Very low	38.8	Very low	127 Å²	127	123 Å²	123	68%	0.679	65%	0.649	S	S	*	*			trans	112.3	18.2	138.8	-135	26	0	0	0	122.4
756	D	36.8	Very low	39.6	Very low	156 Å²	156	119.1 Å²	119.1	83%	0.834	64%	0.641	S	S	*	*			trans	-84.1	-1	168.3	-84	-28.6	0	0	0	114.6	V758	D756-V758 PolarHBondContact O-N 2.79Å
757	T	42.5	Very low	40	Very low	106 Å²	106	114.8 Å²	114.8	65%	0.65	63%	0.631	S	S	*	*	H	α-helix	trans	-79.8	-17.5	-166.3	43	0	0	0	0	115.6	T760	T757-T760 PolarHBondContact O-OG1 2.94Å
758	V	44.7	Very low	40.7	Very low	89 Å²	89	110.1 Å²	110.1	54%	0.539	62%	0.615	S	S	.	*	H	α-helix	trans	-76.9	-46.4	-169.8	-177	0	0	0	0	112.7	D756 T760 A761	D756-V758 PolarHBondContact O-N 2.79Å; V758-T760 VanDerWaalsContact C-N 3.31Å; V758-T760 PolarHBondContact O-N 2.79Å; V758-A761 PolarHBondContact O-N 2.85Å
759	D	43.5	Very low	41.2	Very low	123 Å²	123	108.7 Å²	108.7	66%	0.658	61%	0.612	S	S	*	*	H	α-helix	trans	-65.4	-32.4	-174.3	-80.7	-6.3	0	0	0	113.1	A761 S762 I763	D759-A761 VanDerWaalsContact C-N 3.26Å; D759-A761 PolarHBondContact O-N 2.92Å; D759-S762 PolarHBondContact O-N 3.48Å; D759-I763 WeakPolarHBondContact O-CG1 3.29Å; D759-I763 PolarHBondContact O-N 3.03Å; D759-I763 VanDerWaalsContact O-N 3.13Å
760	T	44.5	Very low	41.8	Very low	95 Å²	95	109.6 Å²	109.6	58%	0.583	61%	0.612	S	S	*	*	H	α-helix	trans	-63.3	-31.5	178.1	60.1	0	0	0	0	112.9	T757 V758 L764	T757-T760 PolarHBondContact O-OG1 2.94Å; V758-T760 VanDerWaalsContact C-N 3.31Å; V758-T760 PolarHBondContact O-N 2.79Å; T760-L764 WeakPolarHBondContact O-CB 3.41Å; T760-L764 PolarHBondContact O-N 2.93Å; T760-L764 VanDerWaalsContact O-N 3.11Å
761	A	42.1	Very low	42.1	Very low	50 Å²	50	105.7 Å²	105.7	41%	0.413	60%	0.599	S	S	.	*	H	α-helix	trans	-69.5	-46.5	177.4	0	0	0	0	0	111.8	V758 D759 I763 L764 E765	V758-A761 PolarHBondContact O-N 2.85Å; D759-A761 VanDerWaalsContact C-N 3.26Å; D759-A761 PolarHBondContact O-N 2.92Å; A761-I763 VanDerWaalsContact C-N 3.33Å; A761-I763 PolarHBondContact O-N 3Å; A761-L764 WeakPolarHBondContact O-CB 3.47Å; A761-L764 PolarHBondContact O-N 3.1Å; A761-L764 VanDerWaalsContact O-N 3.13Å; A761-E765 PolarHBondContact O-N 3.08Å
762	S	53	Low	42.4	Very low	68 Å²	68	105.4 Å²	105.4	48%	0.476	60%	0.598	S	S	.	*	H	α-helix	trans	-65.9	-33	178.2	-67	0	0	0	0	113.1	D759 A766	D759-S762 PolarHBondContact O-N 3.48Å; S762-A766 WeakPolarHBondContact O-CB 3.38Å; S762-A766 PolarHBondContact O-N 2.95Å
763	I	48.6	Very low	42.6	Very low	121 Å²	121	103.3 Å²	103.3	62%	0.621	59%	0.594	S	S	*	*	H	α-helix	trans	-66.7	-39.2	172.4	-66.5	167.5	0	0	0	110.8	D759 A761 A767	D759-I763 WeakPolarHBondContact O-CG1 3.29Å; D759-I763 PolarHBondContact O-N 3.03Å; D759-I763 VanDerWaalsContact O-N 3.13Å; A761-I763 VanDerWaalsContact C-N 3.33Å; A761-I763 PolarHBondContact O-N 3Å; I763-A767 WeakPolarHBondContact O-CB 3.38Å; I763-A767 PolarHBondContact O-N 3.45Å
764	L	50.7	Low	42.7	Very low	97 Å²	97	99.5 Å²	99.5	51%	0.508	58%	0.578	S	S	.	*	H	α-helix	trans	-67.4	-41.2	177.1	-153.4	77.2	0	0	0	112	T760 A761 S768	T760-L764 WeakPolarHBondContact O-CB 3.41Å; T760-L764 PolarHBondContact O-N 2.93Å; T760-L764 VanDerWaalsContact O-N 3.11Å; A761-L764 WeakPolarHBondContact O-CB 3.47Å; A761-L764 PolarHBondContact O-N 3.1Å; A761-L764 VanDerWaalsContact O-N 3.13Å; L764-S768 WeakPolarHBondContact O-CB 3.39Å; L764-S768 PolarHBondContact O-N 3.3Å; L764-S768 PolarHBondContact O-OG 3.27Å
765	E	46.3	Very low	42.8	Very low	129 Å²	129	97.4 Å²	97.4	60%	0.603	58%	0.58	S	S	*	*	H	α-helix	trans	-64.7	-46.9	176.4	-172.7	172.6	-151.8	0	0	111.4	A761 S768 L769	A761-E765 PolarHBondContact O-N 3.08Å; E765-S768 PolarHBondContact O-N 2.79Å; E765-L769 HydrophobicContact CG-CD1 4.29Å; E765-L769 WeakPolarHBondContact O-CG 3.49Å; E765-L769 PolarHBondContact O-N 3.33Å
766	A	46.4	Very low	43.1	Very low	57 Å²	57	95.1 Å²	95.1	47%	0.471	57%	0.571	S	S	.	*	H	α-helix	trans	-61.6	-45.2	176.8	0	0	0	0	0	112.6	S762 S768 L769 Q770	S762-A766 WeakPolarHBondContact O-CB 3.38Å; S762-A766 PolarHBondContact O-N 2.95Å; A766-S768 VanDerWaalsContact C-N 3.32Å; A766-S768 PolarHBondContact O-N 2.89Å; A766-L769 PolarHBondContact O-N 2.81Å; A766-Q770 WeakPolarHBondContact O-CB 3.37Å; A766-Q770 PolarHBondContact O-N 3.04Å
767	A	42.3	Very low	43.6	Very low	57 Å²	57	93.3 Å²	93.3	47%	0.471	57%	0.566	S	S	.	*	H	α-helix	trans	-63.1	-38	176.2	0	0	0	0	0	112.2	I763 A771	I763-A767 WeakPolarHBondContact O-CB 3.38Å; I763-A767 PolarHBondContact O-N 3.45Å; A767-A771 WeakPolarHBondContact O-CB 3.21Å; A767-A771 PolarHBondContact O-N 2.67Å
768	S	42.9	Very low	43.6	Very low	54 Å²	54	95.9 Å²	95.9	38%	0.378	57%	0.571	S	S	.	*	H	α-helix	trans	-66.7	-45.3	177.2	-59.4	0	0	0	0	111.9	L764 E765 A766 Q770 A771 L772	L764-S768 WeakPolarHBondContact O-CB 3.39Å; L764-S768 PolarHBondContact O-N 3.3Å; L764-S768 PolarHBondContact O-OG 3.27Å; E765-S768 PolarHBondContact O-N 2.79Å; A766-S768 VanDerWaalsContact C-N 3.32Å; A766-S768 PolarHBondContact O-N 2.89Å; S768-Q770 VanDerWaalsContact C-N 3.34Å; S768-Q770 PolarHBondContact O-N 3.34Å; S768-A771 PolarHBondContact O-N 3.12Å; S768-L772 WeakPolarHBondContact O-CG 3.32Å; S768-L772 PolarHBondContact O-N 2.95Å
769	L	43.1	Very low	43.6	Very low	110 Å²	110	94.7 Å²	94.7	58%	0.576	56%	0.561	S	S	*	*	H	α-helix	trans	-63	-39.3	177.1	-73.2	170.4	0	0	0	112.2	E765 A766 L772 S773	E765-L769 HydrophobicContact CG-CD1 4.29Å; E765-L769 WeakPolarHBondContact O-CG 3.49Å; E765-L769 PolarHBondContact O-N 3.33Å; A766-L769 PolarHBondContact O-N 2.81Å; L769-L772 PolarHBondContact O-N 3.18Å; L769-S773 PolarHBondContact O-N 3.33Å
770	Q	45.2	Very low	43.2	Very low	146 Å²	146	92 Å²	92	68%	0.682	56%	0.556	S	S	*	*	H	α-helix	trans	-72.6	-32.4	178.9	-162.9	170.6	11.3	0	0	112.6	A766 S768 L772 S773	A766-Q770 WeakPolarHBondContact O-CB 3.37Å; A766-Q770 PolarHBondContact O-N 3.04Å; S768-Q770 VanDerWaalsContact C-N 3.34Å; S768-Q770 PolarHBondContact O-N 3.34Å; Q770-L772 VanDerWaalsContact C-N 3.29Å; Q770-L772 PolarHBondContact O-N 2.78Å; Q770-S773 PolarHBondContact O-N 2.69Å; Q770-S773 PolarHBondContact O-OG 3.28Å
771	A	43	Very low	43.1	Very low	57 Å²	57	93.1 Å²	93.1	47%	0.471	56%	0.558	S	S	.	*	H	α-helix	trans	-67.9	-27.6	173.2	0	0	0	0	0	113.1	A767 S768	A767-A771 WeakPolarHBondContact O-CB 3.21Å; A767-A771 PolarHBondContact O-N 2.67Å; S768-A771 PolarHBondContact O-N 3.12Å
772	L	41	Very low	43.3	Very low	138 Å²	138	94.3 Å²	94.3	72%	0.723	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-8.5	178.3	-69.7	169.2	0	0	0	114	S768 L769 Q770	S768-L772 WeakPolarHBondContact O-CG 3.32Å; S768-L772 PolarHBondContact O-N 2.95Å; L769-L772 PolarHBondContact O-N 3.18Å; Q770-L772 VanDerWaalsContact C-N 3.29Å; Q770-L772 PolarHBondContact O-N 2.78Å
773	S	39.5	Very low	43.1	Very low	92 Å²	92	94 Å²	94	64%	0.643	55%	0.552	S	S	*	*	S	Bend	trans	-106.4	3.1	-166	73.1	0	0	0	0	116.7	L769 Q770	L769-S773 PolarHBondContact O-N 3.33Å; Q770-S773 PolarHBondContact O-N 2.69Å; Q770-S773 PolarHBondContact O-OG 3.28Å
774	S	32.9	Very low	43.5	Very low	45 Å²	45	89.9 Å²	89.9	32%	0.315	54%	0.54	S	S	.	.			trans	-123.1	111.9	-170.6	59.3	0	0	0	0	113.9	T776 L779	S774-T776 PolarHBondContact O-N 3.31Å; S774-L779 WeakPolarHBondContact OG-CD1 3.34Å
775	S	34.9	Very low	43.8	Very low	128 Å²	128	90.8 Å²	90.8	90%	0.895	54%	0.542	S	S	*	.			trans	-89.9	44.8	-173.5	66.1	0	0	0	0	114.4
776	T	41.1	Very low	44.4	Very low	79 Å²	79	88.6 Å²	88.6	49%	0.485	54%	0.537	S	S	.	.			trans	-124.2	127.1	-174.7	52	0	0	0	0	113.1	S774 E778 L779	S774-T776 PolarHBondContact O-N 3.31Å; T776-E778 PolarHBondContact O-N 3.13Å; T776-L779 PolarHBondContact O-N 3.01Å; T776-L779 VanDerWaalsContact O-N 3.08Å
777	T	46.6	Very low	45.1	Very low	118 Å²	118	87.8 Å²	87.8	72%	0.724	53%	0.526	S	S	*	.	H	α-helix	trans	-60.6	-29.3	-172.2	-16.8	0	0	0	0	113.8	A780	T777-A780 WeakPolarHBondContact O-CB 2.94Å; T777-A780 PolarHBondContact O-N 2.9Å
778	E	43.2	Very low	45.8	Very low	161 Å²	161	87.8 Å²	87.8	75%	0.752	53%	0.527	S	S	*	.	H	α-helix	trans	-67	-35	177.7	-60.2	-169.7	143.7	0	0	112.3	T776 A780 L781 V782	T776-E778 PolarHBondContact O-N 3.13Å; E778-A780 PolarHBondContact O-N 3.3Å; E778-L781 PolarHBondContact O-N 3.21Å; E778-V782 PolarHBondContact O-N 2.77Å
779	L	44.1	Very low	46.8	Very low	63 Å²	63	90.9 Å²	90.9	33%	0.33	53%	0.533	S	S	.	.	H	α-helix	trans	-69.1	-20.6	175.2	-82	173.2	0	0	0	112.5	S774 T776 L781 V782 N783	S774-L779 WeakPolarHBondContact OG-CD1 3.34Å; T776-L779 PolarHBondContact O-N 3.01Å; T776-L779 VanDerWaalsContact O-N 3.08Å; L779-L781 VanDerWaalsContact C-N 3.27Å; L779-L781 PolarHBondContact O-N 2.9Å; L779-V782 HydrophobicContact CD2-CB 4.22Å; L779-V782 HydrophobicContact CD2-CG1 4.48Å; L779-V782 PolarHBondContact O-N 3.47Å; L779-N783 WeakPolarHBondContact O-CB 3.11Å; L779-N783 PolarHBondContact O-N 3.3Å; L779-N783 PolarHBondContact O-ND2 3.25Å; L779-N783 PolarHBondContact O-OD1 3.32Å
780	A	36.5	Very low	47.6	Very low	67 Å²	67	90 Å²	90	55%	0.554	53%	0.529	S	S	*	.	H	α-helix	trans	-64.4	-32.7	173.2	0	0	0	0	0	112.4	T777 E778 G784	T777-A780 WeakPolarHBondContact O-CB 2.94Å; T777-A780 PolarHBondContact O-N 2.9Å; E778-A780 PolarHBondContact O-N 3.3Å; A780-G784 PolarHBondContact O-N 3.4Å
781	L	41.1	Very low	48.3	Very low	119 Å²	119	85.4 Å²	85.4	62%	0.623	51%	0.51	S	S	*	.	H	α-helix	trans	-73.5	-44.3	174.7	-67.2	172.6	0	0	0	111.4	E778 L779 G784 E785	E778-L781 PolarHBondContact O-N 3.21Å; L779-L781 VanDerWaalsContact C-N 3.27Å; L779-L781 PolarHBondContact O-N 2.9Å; L781-G784 PolarHBondContact O-N 3.09Å; L781-E785 PolarHBondContact O-N 3.01Å
782	V	47.5	Very low	49.2	Very low	75 Å²	75	87.1 Å²	87.1	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-64.7	-44.2	177.4	-179.3	0	0	0	0	111.1	E778 L779 G784 E785 V786	E778-V782 PolarHBondContact O-N 2.77Å; L779-V782 HydrophobicContact CD2-CB 4.22Å; L779-V782 HydrophobicContact CD2-CG1 4.48Å; L779-V782 PolarHBondContact O-N 3.47Å; V782-G784 PolarHBondContact O-N 2.8Å; V782-E785 PolarHBondContact O-N 3.42Å; V782-E785 VanDerWaalsContact O-N 3.08Å; V782-V786 HydrophobicContact CG1-CG2 4.18Å; V782-V786 WeakPolarHBondContact O-CG2 3.2Å; V782-V786 PolarHBondContact O-N 3.04Å
783	N	48.7	Very low	50.2	Low	60 Å²	60	86.6 Å²	86.6	32%	0.321	50%	0.501	S	S	.	.	H	α-helix	trans	-61.3	-33.6	175.4	-71.1	-7.7	0	0	0	111.4	L779 T787	L779-N783 WeakPolarHBondContact O-CB 3.11Å; L779-N783 PolarHBondContact O-N 3.3Å; L779-N783 PolarHBondContact O-ND2 3.25Å; L779-N783 PolarHBondContact O-OD1 3.32Å; N783-T787 WeakPolarHBondContact O-CB 3.05Å; N783-T787 PolarHBondContact O-N 2.98Å; N783-T787 PolarHBondContact O-OG1 2.87Å
784	G	55.9	Low	51.1	Low	36 Å²	36	85.8 Å²	85.8	37%	0.371	49%	0.488	S	S	.	.	H	α-helix	trans	-59.9	-46.1	171	0	0	0	0	0	112.8	A780 L781 V782 A788	A780-G784 PolarHBondContact O-N 3.4Å; L781-G784 PolarHBondContact O-N 3.09Å; V782-G784 PolarHBondContact O-N 2.8Å; G784-A788 VanDerWaalsContact O-CB 3.29Å; G784-A788 WeakPolarHBondContact O-CB 3.47Å; G784-A788 PolarHBondContact O-N 3Å
785	E	57.8	Low	52.5	Low	115 Å²	115	89.4 Å²	89.4	54%	0.537	50%	0.503	S	S	.	.	H	α-helix	trans	-73.3	-39.3	179.2	-159.4	-170.1	160.1	0	0	112.8	L781 V782 A788 K789	L781-E785 PolarHBondContact O-N 3.01Å; V782-E785 PolarHBondContact O-N 3.42Å; V782-E785 VanDerWaalsContact O-N 3.08Å; E785-A788 PolarHBondContact O-N 3.1Å; E785-K789 WeakPolarHBondContact O-CG 3.12Å; E785-K789 PolarHBondContact O-N 3.46Å; E785-K789 WeakPolarHBondContact OE1-CE 3.41Å; E785-K789 IonicContact OE1-NZ 2.89Å; E785-K789 PolarHBondContact OE1-NZ 3.4Å
786	V	58.4	Low	53.4	Low	84 Å²	84	91.6 Å²	91.6	51%	0.509	49%	0.491	S	S	.	.	H	α-helix	trans	-65.3	-43.1	175.2	173.9	0	0	0	0	110.7	V782 K789 L790	V782-V786 HydrophobicContact CG1-CG2 4.18Å; V782-V786 WeakPolarHBondContact O-CG2 3.2Å; V782-V786 PolarHBondContact O-N 3.04Å; V786-K789 PolarHBondContact O-N 3.27Å; V786-L790 WeakPolarHBondContact O-CB 3.5Å; V786-L790 PolarHBondContact O-N 2.88Å
787	T	60.5	Low	54.2	Low	39 Å²	39	94 Å²	94	24%	0.239	50%	0.497	C	S	.	.	H	α-helix	trans	-65.4	-40.5	175.3	-56.1	0	0	0	0	111.1	L451 L455 N783 K789 L790 V791	L451-T787 HydrophobicContact CD2-CG2 4.22Å; L455-T787 HydrophobicContact CD1-CG2 4.43Å; N783-T787 WeakPolarHBondContact O-CB 3.05Å; N783-T787 PolarHBondContact O-N 2.98Å; N783-T787 PolarHBondContact O-OG1 2.87Å; T787-K789 PolarHBondContact O-N 3.37Å; T787-L790 PolarHBondContact O-N 3.3Å; T787-V791 HydrophobicContact CG2-CG2 4.28Å; T787-V791 WeakPolarHBondContact O-CB 3.38Å; T787-V791 WeakPolarHBondContact O-CG2 3.2Å; T787-V791 PolarHBondContact O-N 3.1Å
788	A	57.9	Low	53.9	Low	58 Å²	58	97.9 Å²	97.9	48%	0.479	50%	0.5	S	S	.	.	H	α-helix	trans	-60.5	-44.7	174.6	0	0	0	0	0	112	G784 E785 V791 E792	G784-A788 VanDerWaalsContact O-CB 3.29Å; G784-A788 WeakPolarHBondContact O-CB 3.47Å; G784-A788 PolarHBondContact O-N 3Å; E785-A788 PolarHBondContact O-N 3.1Å; A788-V791 PolarHBondContact O-N 2.99Å; A788-E792 WeakPolarHBondContact O-CB 3.37Å; A788-E792 PolarHBondContact O-N 3.03Å
789	K	63.5	Low	53.6	Low	118 Å²	118	94.4 Å²	94.4	51%	0.513	49%	0.491	S	S	.	.	H	α-helix	trans	-67	-35.2	175.2	-72.5	171.7	-174.3	167.6	0	112.6	E785 V786 T787 K793	E785-K789 WeakPolarHBondContact O-CG 3.12Å; E785-K789 PolarHBondContact O-N 3.46Å; E785-K789 WeakPolarHBondContact OE1-CE 3.41Å; E785-K789 IonicContact OE1-NZ 2.89Å; E785-K789 PolarHBondContact OE1-NZ 3.4Å; V786-K789 PolarHBondContact O-N 3.27Å; T787-K789 PolarHBondContact O-N 3.37Å; K789-K793 WeakPolarHBondContact O-CB 3.29Å; K789-K793 PolarHBondContact O-N 2.82Å
790	L	59.8	Low	53	Low	93 Å²	93	103.6 Å²	103.6	49%	0.487	52%	0.521	S	S	.	.	H	α-helix	trans	-67	-48	175.4	-175.9	65.9	0	0	0	111	V786 T787 K793 I794	V786-L790 WeakPolarHBondContact O-CB 3.5Å; V786-L790 PolarHBondContact O-N 2.88Å; T787-L790 PolarHBondContact O-N 3.3Å; L790-K793 PolarHBondContact O-N 2.75Å; L790-K793 VanDerWaalsContact O-N 3.16Å; L790-I794 HydrophobicContact CD1-CD1 4.46Å; L790-I794 HydrophobicContact CG-CD1 4.05Å; L790-I794 VanDerWaalsContact O-CG1 3.32Å; L790-I794 WeakPolarHBondContact O-CG1 3.19Å; L790-I794 PolarHBondContact O-N 3.21Å
791	V	61.1	Low	52.6	Low	48 Å²	48	103.9 Å²	103.9	29%	0.291	53%	0.531	S	S	.	.	H	α-helix	trans	-61.8	-43.3	175.6	169.5	0	0	0	0	111	L451 T787 A788 K793 I794 I795	L451-V791 HydrophobicContact CD2-CG2 3.98Å; T787-V791 HydrophobicContact CG2-CG2 4.28Å; T787-V791 WeakPolarHBondContact O-CB 3.38Å; T787-V791 WeakPolarHBondContact O-CG2 3.2Å; T787-V791 PolarHBondContact O-N 3.1Å; A788-V791 PolarHBondContact O-N 2.99Å; V791-K793 VanDerWaalsContact C-N 3.31Å; V791-K793 PolarHBondContact O-N 3.05Å; V791-I794 PolarHBondContact O-N 3.38Å; V791-I795 HydrophobicContact CG1-CD1 3.72Å; V791-I795 HydrophobicContact CG1-CG1 4.47Å; V791-I795 WeakPolarHBondContact O-CB 3.44Å; V791-I795 VanDerWaalsContact O-CG1 3.26Å; V791-I795 WeakPolarHBondContact O-CG1 3.39Å; V791-I795 PolarHBondContact O-N 3.05Å
792	E	62.1	Low	52.1	Low	94 Å²	94	105.2 Å²	105.2	44%	0.439	54%	0.537	S	S	.	.	H	α-helix	trans	-60.8	-41.3	173.7	-169.3	-174.2	177.6	0	0	111.6	A788 I795 R796	A788-E792 WeakPolarHBondContact O-CB 3.37Å; A788-E792 PolarHBondContact O-N 3.03Å; E792-I795 PolarHBondContact O-N 3.44Å; E792-R796 HydrophobicContact CG-CG 4.47Å; E792-R796 WeakPolarHBondContact O-CB 3.35Å; E792-R796 VanDerWaalsContact O-CG 3.24Å; E792-R796 WeakPolarHBondContact O-CG 3.42Å; E792-R796 PolarHBondContact O-N 2.87Å; E792-R796 IonicContact OE1-CZ 2.67Å; E792-R796 IonicContact OE1-NE 3.17Å; E792-R796 PolarHBondContact OE1-NE 3.08Å; E792-R796 IonicContact OE1-NH2 2.82Å; E792-R796 PolarHBondContact OE1-NH2 3.3Å
793	K	60.8	Low	51.1	Low	127 Å²	127	110.4 Å²	110.4	55%	0.552	55%	0.554	S	S	*	*	H	α-helix	trans	-70.2	-35.3	179.2	-169	168.4	-176.1	-176	0	112.7	K789 L790 V791 R796 H797	K789-K793 WeakPolarHBondContact O-CB 3.29Å; K789-K793 PolarHBondContact O-N 2.82Å; L790-K793 PolarHBondContact O-N 2.75Å; L790-K793 VanDerWaalsContact O-N 3.16Å; V791-K793 VanDerWaalsContact C-N 3.31Å; V791-K793 PolarHBondContact O-N 3.05Å; K793-R796 PolarHBondContact O-N 3.18Å; K793-H797 WeakPolarHBondContact O-CB 2.87Å; K793-H797 PolarHBondContact O-CD2 2.96Å; K793-H797 PolarHBondContact O-N 3.34Å
794	I	59.4	Low	50.3	Low	74 Å²	74	116 Å²	116	38%	0.379	58%	0.584	S	S	.	*	H	α-helix	trans	-64.2	-50.3	171.1	-69.7	164.7	0	0	0	109.9	L790 V791 R796 H797 Y798	L790-I794 HydrophobicContact CD1-CD1 4.46Å; L790-I794 HydrophobicContact CG-CD1 4.05Å; L790-I794 VanDerWaalsContact O-CG1 3.32Å; L790-I794 WeakPolarHBondContact O-CG1 3.19Å; L790-I794 PolarHBondContact O-N 3.21Å; V791-I794 PolarHBondContact O-N 3.38Å; I794-R796 VanDerWaalsContact C-N 3.26Å; I794-R796 PolarHBondContact O-N 3.12Å; I794-H797 PolarHBondContact O-N 3Å; I794-H797 VanDerWaalsContact O-N 3.09Å; I794-Y798 HydrophobicContact CG2-CD2 4.31Å; I794-Y798 PolarHBondContact O-N 3.39Å
795	I	61.5	Low	49.1	Very low	122 Å²	122	117.3 Å²	117.3	63%	0.626	60%	0.597	S	S	*	*	H	α-helix	trans	-61.4	-33.6	178.2	-67.9	168.1	0	0	0	111.8	V791 E792	V791-I795 HydrophobicContact CG1-CD1 3.72Å; V791-I795 HydrophobicContact CG1-CG1 4.47Å; V791-I795 WeakPolarHBondContact O-CB 3.44Å; V791-I795 VanDerWaalsContact O-CG1 3.26Å; V791-I795 WeakPolarHBondContact O-CG1 3.39Å; V791-I795 PolarHBondContact O-N 3.05Å; E792-I795 PolarHBondContact O-N 3.44Å
796	R	54.2	Low	47.8	Very low	173 Å²	173	119.8 Å²	119.8	65%	0.653	61%	0.614	S	S	*	*	H	α-helix	trans	-78.2	-21.8	175.4	-73.9	174.5	-179.5	-99.3	9.9	114.3	E792 K793 I794	E792-R796 HydrophobicContact CG-CG 4.47Å; E792-R796 WeakPolarHBondContact O-CB 3.35Å; E792-R796 VanDerWaalsContact O-CG 3.24Å; E792-R796 WeakPolarHBondContact O-CG 3.42Å; E792-R796 PolarHBondContact O-N 2.87Å; E792-R796 IonicContact OE1-CZ 2.67Å; E792-R796 IonicContact OE1-NE 3.17Å; E792-R796 PolarHBondContact OE1-NE 3.08Å; E792-R796 IonicContact OE1-NH2 2.82Å; E792-R796 PolarHBondContact OE1-NH2 3.3Å; K793-R796 PolarHBondContact O-N 3.18Å; I794-R796 VanDerWaalsContact C-N 3.26Å; I794-R796 PolarHBondContact O-N 3.12Å
797	H	58.7	Low	46.5	Very low	130 Å²	130	124 Å²	124	60%	0.602	63%	0.634	S	S	*	*	H	α-helix	trans	-109.3	-9.9	-177.1	-70.2	-39.8	0	0	0	115.4	K793 I794 P799	K793-H797 WeakPolarHBondContact O-CB 2.87Å; K793-H797 PolarHBondContact O-CD2 2.96Å; K793-H797 PolarHBondContact O-N 3.34Å; I794-H797 PolarHBondContact O-N 3Å; I794-H797 VanDerWaalsContact O-N 3.09Å; H797-P799 WeakPolarHBondContact O-CD 3.22Å
798	Y	39	Very low	45.2	Very low	199 Å²	199	129.2 Å²	129.2	78%	0.78	66%	0.661	S	S	*	*			trans	-109.9	70.5	167.9	-80.6	-88.3	0	0	0	113.4	I794	I794-Y798 HydrophobicContact CG2-CD2 4.31Å; I794-Y798 PolarHBondContact O-N 3.39Å
799	P	36.2	Very low	43.8	Very low	89 Å²	89	136.9 Å²	136.9	58%	0.578	68%	0.679	S	S	*	*			trans	-91.1	143.2	170.9	36.8	-34.4	0	0	0	112.8	H797	H797-P799 WeakPolarHBondContact O-CD 3.22Å
800	R	31.6	Very low	42.2	Very low	255 Å²	255	138.8 Å²	138.8	96%	0.962	69%	0.693	S	S	*	*			trans	75.8	154.3	166.1	-50	173.4	-179.5	-168.3	-2	117.4
801	G	29.9	Very low	40.9	Very low	73 Å²	73	143.5 Å²	143.5	75%	0.753	71%	0.709	S	S	*	*			trans	-179.4	-69	151.6	0	0	0	0	0	116.7
802	I	29	Very low	39.5	Very low	147 Å²	147	151 Å²	151	75%	0.754	74%	0.738	S	S	*	*	S	Bend	trans	-150.7	129.4	-163.8	-28.5	178.1	0	0	0	106.1
803	F	27.4	Very low	37.9	Very low	185 Å²	185	151.2 Å²	151.2	81%	0.811	74%	0.742	S	S	*	*			cis	-129.1	139.4	16.7	-64.9	-106.6	0	0	0	111.5
804	D	32	Very low	36.5	Very low	178 Å²	178	150.8 Å²	150.8	95%	0.952	74%	0.742	S	S	*	*			trans	-151	130.2	161	-101.2	-46.1	0	0	0	107.4
805	G	29.5	Very low	35.1	Very low	63 Å²	63	152.3 Å²	152.3	65%	0.649	75%	0.754	S	S	*	*			trans	95.7	145.1	-166.9	0	0	0	0	0	112.9
806	D	30.8	Very low	33.5	Very low	167 Å²	167	152.3 Å²	152.3	89%	0.893	76%	0.756	S	S	*	*			cis	-126.3	140.2	5.5	-70.5	-42.5	0	0	0	111.8
807	D	32.6	Very low	32.3	Very low	171 Å²	171	149.4 Å²	149.4	91%	0.914	76%	0.758	S	S	*	*			trans	-146.1	44.8	170.1	-160.2	14.6	0	0	0	111.8
808	D	31.7	Very low	31	Very low	150 Å²	150	150.2 Å²	150.2	80%	0.802	77%	0.765	S	S	*	*			trans	-150.5	71.9	177.3	-154.2	-3	0	0	0	113.5
809	Y	29	Very low	30.4	Very low	219 Å²	219	148.2 Å²	148.2	86%	0.859	76%	0.762	S	S	*	*			trans	-139.6	35.3	173.8	-139.8	-93.3	0	0	0	116.6
810	I	30.9	Very low	30.2	Very low	158 Å²	158	152 Å²	152	81%	0.81	77%	0.773	S	S	*	*	S	Bend	trans	-129.7	61.8	164.8	-43.6	-178	0	0	0	112.3
811	K	30.9	Very low	29.9	Very low	191 Å²	191	143.6 Å²	143.6	83%	0.83	75%	0.753	S	S	*	*	S	Bend	trans	-178.1	107.5	143.4	-102.4	151.9	-173.9	168.9	0	114
812	K	32.4	Very low	29.9	Very low	206 Å²	206	149.6 Å²	149.6	90%	0.896	75%	0.754	S	S	*	*			trans	142.6	81.2	141.1	-77.9	164.1	-179.1	174.5	0	113.2
813	N	28.3	Very low	29.9	Very low	98 Å²	98	149.8 Å²	149.8	52%	0.524	75%	0.75	S	S	.	*			trans	-87.6	106.9	143.3	-94.4	-68.4	0	0	0	106.9	S289 H291	S289-N813 PolarHBondContact OG-OD1 3.41Å; H291-N813 PolarHBondContact CE1-O 2.97Å; H291-N813 VanDerWaalsContact CE1-O 3.22Å
814	H	31.1	Very low	30.1	Very low	119 Å²	119	149.2 Å²	149.2	55%	0.551	75%	0.747	S	S	*	*			trans	-179.3	130.7	153.4	-106.2	-74.7	0	0	0	109.4	H291	H291-H814 AromaticContact CD2-CE1 3.55Å; H291-H814 AromaticContact CD2-ND1 3.74Å; H291-H814 AromaticContact CD2-NE2 3.97Å; H291-H814 AromaticContact CE1-CD2 3.29Å; H291-H814 PolarHBondContact CE1-CD2 2.89Å; H291-H814 AromaticContact CE1-CE1 3.64Å; H291-H814 AromaticContact CE1-CG 3.63Å; H291-H814 AromaticContact CE1-ND1 3.85Å; H291-H814 AromaticContact CE1-NE2 3.3Å; H291-H814 PolarHBondContact CE1-NE2 3.12Å; H291-H814 VanDerWaalsContact CE1-NE2 3.3Å; H291-H814 AromaticContact CG-CE1 3.86Å; H291-H814 AromaticContact CG-NE2 3.97Å; H291-H814 AromaticContact ND1-CE1 3.9Å; H291-H814 AromaticContact ND1-NE2 3.56Å; H291-H814 AromaticContact NE2-CD2 3.57Å; H291-H814 AromaticContact NE2-CE1 3.47Å; H291-H814 PolarHBondContact NE2-CE1 2.78Å; H291-H814 AromaticContact NE2-CG 3.41Å; H291-H814 AromaticContact NE2-ND1 3.36Å; H291-H814 PolarHBondContact NE2-ND1 3.3Å; H291-H814 AromaticContact NE2-NE2 3.61Å
815	T	31.5	Very low	30	Very low	105 Å²	105	145.2 Å²	145.2	64%	0.644	73%	0.733	S	S	*	*			trans	48.6	114.7	151.5	50.9	0	0	0	0	118.7
816	N	26.7	Very low	30.1	Very low	122 Å²	122	147.8 Å²	147.8	65%	0.652	74%	0.741	S	S	*	*			cis	40.3	120.5	38.2	-74.6	26.4	0	0	0	112.6
817	T	29.5	Very low	30	Very low	113 Å²	113	147.2 Å²	147.2	69%	0.693	73%	0.733	S	S	*	*			cis	-169.1	170.8	31.9	-17	0	0	0	0	109.4
818	I	30.6	Very low	29.7	Very low	147 Å²	147	147 Å²	147	75%	0.754	72%	0.724	S	S	*	*			trans	69.5	146.7	156.3	-69	158.4	0	0	0	116.1
819	E	26.2	Very low	29.5	Very low	156 Å²	156	147.4 Å²	147.4	73%	0.729	72%	0.719	S	S	*	*			cis	179.9	-178	-33.2	-137.6	175.8	-161.1	0	0	106.9
820	Q	31.8	Very low	29.4	Very low	169 Å²	169	143.7 Å²	143.7	79%	0.79	71%	0.709	S	S	*	*			trans	68.6	152.1	166.5	-61.2	171.3	33.7	0	0	118
821	S	27.2	Very low	29.2	Very low	78 Å²	78	142.3 Å²	142.3	55%	0.545	71%	0.709	S	S	.	*			cis	-170.7	-172.7	-40.3	50	0	0	0	0	108.5
822	Y	29.1	Very low	29.1	Very low	199 Å²	199	138.5 Å²	138.5	78%	0.78	71%	0.706	S	S	*	*			trans	73.7	139.1	174.7	-60.6	-82.2	0	0	0	116.9
823	F	29.5	Very low	28.9	Very low	152 Å²	152	135.5 Å²	135.5	67%	0.667	70%	0.699	S	S	*	*			cis	-169.4	138.6	-18.3	-143.2	-139.3	0	0	0	110.6
824	K	31.6	Very low	28.9	Very low	172 Å²	172	135 Å²	135	75%	0.748	70%	0.697	S	S	*	*			trans	60.9	164.9	158.1	-68.4	-174	177.7	177.4	0	118.1
825	S	30.2	Very low	28.6	Very low	95 Å²	95	132.9 Å²	132.9	66%	0.664	69%	0.689	S	S	*	*			cis	-166.3	156.9	-27.1	-94.8	0	0	0	0	109.3
826	S	30.6	Very low	28.4	Very low	116 Å²	116	133.3 Å²	133.3	81%	0.811	68%	0.68	S	S	*	*			trans	65.8	159.7	166.2	-70.3	0	0	0	0	117.9
827	Q	27.9	Very low	28.3	Very low	156 Å²	156	132.1 Å²	132.1	73%	0.729	69%	0.687	S	S	*	*			cis	-180	162.3	-41.3	-121.2	-168.3	9.1	0	0	106.8
828	F	27.5	Very low	28.3	Very low	167 Å²	167	134.4 Å²	134.4	73%	0.732	68%	0.684	S	S	*	*			trans	66.1	127.1	-176.6	-69.2	-90.5	0	0	0	113.1
829	K	26.5	Very low	28.1	Very low	157 Å²	157	133.2 Å²	133.2	68%	0.683	69%	0.685	S	S	*	*				54.9	124.3	75.6	-75.2	171.3	154.7	-102.3	0	110.7
830	E	26.4	Very low	28.1	Very low	141 Å²	141	134.6 Å²	134.6	66%	0.659	69%	0.689	S	S	*	*			cis	-151.5	172.2	15.2	-114.4	140.1	-156.4	0	0	111.6
831	T	28.3	Very low	28.2	Very low	130 Å²	130	131 Å²	131	80%	0.798	68%	0.683	S	S	*	*			trans	58	100.3	176	57.9	0	0	0	0	116.5	N833	T831-N833 PolarHBondContact O-N 3Å; T831-N833 VanDerWaalsContact O-N 3.09Å
832	S	29.2	Very low	28.2	Very low	110 Å²	110	131.8 Å²	131.8	77%	0.769	69%	0.689	S	S	*	*			trans	-73.6	96.2	173.9	49.6	0	0	0	0	112.4
833	N	28.1	Very low	28.1	Very low	143 Å²	143	127.8 Å²	127.8	77%	0.765	69%	0.69	S	S	*	*			trans	-53.9	141.1	140.8	-90.2	-73.4	0	0	0	109.2	T831	T831-N833 PolarHBondContact O-N 3Å; T831-N833 VanDerWaalsContact O-N 3.09Å
834	L	27	Very low	28	Very low	89 Å²	89	131.8 Å²	131.8	47%	0.466	70%	0.7	S	S	.	*			trans	165.2	146.4	153.4	-108	101.9	0	0	0	107.5	L228 N230	L228-L834 HydrophobicContact CD1-CD2 3.83Å; L228-L834 HydrophobicContact CD2-CD2 3.53Å; L228-L834 HydrophobicContact CG-CD2 4.34Å; N230-L834 HydrophobicContact CB-CD2 3.77Å
835	N	25.5	Very low	27.8	Very low	74 Å²	74	130.6 Å²	130.6	40%	0.396	70%	0.701	S	S	.	*			cis	-167.5	171.4	-26.8	-117.8	1.2	0	0	0	108.6	N230 N231	N230-N835 WeakPolarHBondContact ND2-CB 3.42Å; N231-N835 PolarHBondContact OD1-ND2 2.98Å
836	Y	26.1	Very low	27.6	Very low	114 Å²	114	133.7 Å²	133.7	45%	0.447	70%	0.698	S	S	.	*			trans	17.4	123.8	161	-49.3	-60.4	0	0	0	119.3	N232	N232-Y836 PolarHBondContact ND2-OH 3.31Å; N232-Y836 WeakPolarHBondContact OD1-CE2 3.1Å; N232-Y836 PolarHBondContact OD1-OH 3.29Å
837	A	26.2	Very low	27.4	Very low	96 Å²	96	138.4 Å²	138.4	79%	0.793	70%	0.698	S	S	*	*			cis	59.8	49.3	30	0	0	0	0	0	115.7
838	Y	27.9	Very low	27.3	Very low	161 Å²	161	140 Å²	140	63%	0.631	70%	0.698	S	S	*	*			trans	-150	155.4	154.4	-96.6	-84.8	0	0	0	109	F840	Y838-F840 WeakPolarHBondContact CE1-O 3.39Å
839	P	28.3	Very low	27.1	Very low	122 Å²	122	137 Å²	137	79%	0.792	70%	0.698	S	S	*	*			cis	-117.1	105.1	5	37	-22.6	0	0	0	114.6
840	F	26	Very low	27.3	Very low	185 Å²	185	138.1 Å²	138.1	81%	0.811	70%	0.703	S	S	*	*	S	Bend	trans	-81	129.7	135.2	-129.2	-85.5	0	0	0	107.4	Y838	Y838-F840 WeakPolarHBondContact CE1-O 3.39Å
841	S	33.2	Very low	27.2	Very low	93 Å²	93	138.6 Å²	138.6	65%	0.65	71%	0.705	S	S	*	*			trans	35.8	116	162.9	-56.9	0	0	0	0	120.2
842	S	26.2	Very low	26.9	Very low	96 Å²	96	137 Å²	137	67%	0.671	70%	0.698	S	S	*	*			trans	-158.7	89.3	147.4	-89.6	0	0	0	0	115.9
843	S	27.2	Very low	26.7	Very low	114 Å²	114	139.6 Å²	139.6	80%	0.797	70%	0.698	S	S	*	*	S	Bend	trans	-173.4	111.1	139.8	-88.9	0	0	0	0	110.7
844	R	27.6	Very low	26.5	Very low	236 Å²	236	136.7 Å²	136.7	89%	0.891	69%	0.689	S	S	*	*			cis	-141.6	142.3	-7.4	-69.3	-179.4	174.5	176.2	-3.7	110
845	L	27.1	Very low	26.4	Very low	147 Å²	147	141.4 Å²	141.4	77%	0.77	71%	0.706	S	S	*	*			trans	-84	128.1	167.8	-86.9	163.1	0	0	0	111.1	R847	L845-R847 HydrophobicContact CD2-CG 4.5Å
846	R	26.9	Very low	26.4	Very low	160 Å²	160	147.8 Å²	147.8	60%	0.604	73%	0.726	S	S	*	*			trans	-160.4	94.6	147.4	-102.6	179.6	-172.9	-144.1	-3.6	106.2	V236 P237	V236-R846 VanDerWaalsContact CG1-NH2 3.3Å; P237-R846 PolarHBondContact O-NH1 2.91Å; P237-R846 PolarHBondContact O-NH2 3.26Å
847	R	25.3	Very low	26.4	Very low	215 Å²	215	150.7 Å²	150.7	81%	0.811	74%	0.743	S	S	*	*				48.5	85.5	66.7	-73.3	-165.1	175.5	-167.9	1	113.9	L845	L845-R847 HydrophobicContact CD2-CG 4.5Å
848	R	26.4	Very low	26.5	Very low	190 Å²	190	151.3 Å²	151.3	72%	0.717	74%	0.742	S	S	*	*				-169.7	115.2	119.3	-97.4	168.7	175.7	-174.2	-2	106
849	S	24.6	Very low	26.8	Very low	105 Å²	105	148.9 Å²	148.9	73%	0.734	75%	0.746	S	S	*	*				58.6	90.8	55.9	84	0	0	0	0	113
850	K	28.7	Very low	26.7	Very low	180 Å²	180	148 Å²	148	78%	0.783	74%	0.743	S	S	*	*			trans	-157.1	129.5	138	-100.2	-176.8	176.7	-167.3	0	106.1
851	Q	25.5	Very low	26.8	Very low	151 Å²	151	144.3 Å²	144.3	71%	0.706	74%	0.74	S	S	*	*				54.3	107.6	89.4	-65.3	-174.2	-72.9	0	0	110.1
852	C	22.6	Very low	26.6	Very low	96 Å²	96	144.3 Å²	144.3	65%	0.649	74%	0.74	S	S	*	*				111.7	159.5	61	-88.8	0	0	0	0	106.4
853	E	25.1	Very low	26.6	Very low	165 Å²	165	147.1 Å²	147.1	77%	0.771	75%	0.746	S	S	*	*			trans	60.9	123.6	-174.1	-69.3	95.4	-172.1	0	0	113.8
854	S	23	Very low	26.6	Very low	82 Å²	82	146 Å²	146	57%	0.573	74%	0.739	S	S	*	*			cis	75.6	147.3	44	85.7	0	0	0	0	113.7
855	F	24.7	Very low	26.7	Very low	187 Å²	187	145 Å²	145	82%	0.82	74%	0.736	S	S	*	*			trans	64.9	152.5	-169.8	-53.1	-77.6	0	0	0	113.7
856	Y	25.1	Very low	27	Very low	208 Å²	208	143.7 Å²	143.7	82%	0.816	74%	0.737	S	S	*	*			cis	-176.1	-167.7	-33	-140	-104.2	0	0	0	102.9
857	E	26.9	Very low	27.4	Very low	176 Å²	176	143.1 Å²	143.1	82%	0.822	74%	0.744	S	S	*	*			trans	63.4	85.8	159.4	-66.8	-179.6	150.6	0	0	119
858	S	28	Very low	27.8	Very low	109 Å²	109	139 Å²	139	76%	0.762	75%	0.746	S	S	*	*				-40.2	159	123.6	-29.3	0	0	0	0	111.5
859	P	34.4	Very low	28	Very low	109 Å²	109	133 Å²	133	71%	0.708	74%	0.743	S	S	*	*				-163.5	157.1	62.3	43.6	-21.3	0	0	0	121
860	S	26.8	Very low	28.3	Very low	104 Å²	104	134.5 Å²	134.5	73%	0.727	75%	0.747	S	S	*	*			trans	68.5	164.7	130	74.3	0	0	0	0	124.4
861	S	28.4	Very low	28.4	Very low	108 Å²	108	133.2 Å²	133.2	76%	0.755	74%	0.744	S	S	*	*			trans	87	134.9	156.3	76.6	0	0	0	0	118.5
862	S	27.3	Very low	28.6	Very low	93 Å²	93	131.8 Å²	131.8	65%	0.65	74%	0.74	S	S	*	*			cis	-168.5	163.2	-11	42.7	0	0	0	0	113.7
863	L	27.6	Very low	28.9	Very low	154 Å²	154	133 Å²	133	81%	0.806	74%	0.74	S	S	*	*			trans	71.1	147.7	161.4	-59.3	135	0	0	0	118.9
864	S	27.5	Very low	29.2	Very low	92 Å²	92	129.3 Å²	129.3	64%	0.643	73%	0.733	S	S	*	*			cis	-170.6	137.2	-31.1	-108.1	0	0	0	0	112.5
865	Y	29	Very low	29.5	Very low	213 Å²	213	127.2 Å²	127.2	84%	0.835	72%	0.717	S	S	*	*			trans	13.6	160.5	140.3	-66.2	-70.7	0	0	0	123.2
866	P	33.4	Very low	29.7	Very low	121 Å²	121	120 Å²	120	79%	0.786	69%	0.688	S	S	*	*			cis	-141.3	177.8	26	41.8	-22	0	0	0	119.5
867	I	34.4	Very low	29.9	Very low	147 Å²	147	113.1 Å²	113.1	75%	0.754	67%	0.671	S	S	*	*			trans	-123.8	152.6	170.6	-25.7	174.9	0	0	0	109
868	P	34.5	Very low	30.2	Very low	130 Å²	130	107 Å²	107	84%	0.844	65%	0.65	S	S	*	*				-150.6	170.3	102.6	38	-21.1	0	0	0	114.4
869	G	31.1	Very low	30.3	Very low	63 Å²	63	108.8 Å²	108.8	65%	0.649	65%	0.652	S	S	*	*			cis	157.1	167.7	-6.2	0	0	0	0	0	112.8
870	V	31	Very low	30.1	Very low	136 Å²	136	109.4 Å²	109.4	82%	0.824	65%	0.649	S	S	*	*			trans	74.3	136	158	179.5	0	0	0	0	117.8
871	H	30.4	Very low	30.2	Very low	154 Å²	154	108.5 Å²	108.5	71%	0.713	64%	0.636	S	S	*	*			cis	-167.3	157.8	-10.9	-115	-164.7	0	0	0	114.2
872	L	29.3	Very low	30.2	Very low	121 Å²	121	108 Å²	108	63%	0.634	63%	0.628	S	S	*	*			trans	50.5	120.3	143.1	-58.8	175.6	0	0	0	121.8
873	N	29.4	Very low	30.2	Very low	120 Å²	120	108.6 Å²	108.6	64%	0.642	63%	0.628	S	S	*	*				80.2	120.4	72	-68.7	11.8	0	0	0	117.4
874	S	30.7	Very low	30.3	Very low	89 Å²	89	105.4 Å²	105.4	62%	0.622	62%	0.624	S	S	*	*				166	175.9	118.8	-72.2	0	0	0	0	119.3	S1287	S874-S1287 WeakPolarHBondContact CA-OG 3.35Å; S874-S1287 PolarHBondContact OG-OG 3.03Å; S874-S1287 VanDerWaalsContact OG-OG 3.09Å
875	T	29.8	Very low	30.4	Very low	38 Å²	38	106.8 Å²	106.8	23%	0.233	63%	0.629	C	S	.	*			trans	-148.3	-157.3	-150.4	-34.5	0	0	0	0	110.5	M1110 L1286 S1287 S1288	T875-M1110 HydrophobicContact CG2-CB 4.39Å; T875-M1110 HydrophobicContact CG2-CE 3.51Å; T875-M1110 HydrophobicContact CG2-CG 3.8Å; T875-M1110 HydrophobicContact CG2-SD 3.25Å; T875-M1110 WeakPolarHBondContact CG2-SD 3.29Å; T875-L1286 WeakPolarHBondContact O-CD1 3.46Å; T875-S1287 WeakPolarHBondContact OG1-CA 3.44Å; T875-S1287 VanDerWaalsContact OG1-CB 3.28Å; T875-S1287 WeakPolarHBondContact OG1-CB 3.37Å; T875-S1287 PolarHBondContact OG1-N 3.33Å; T875-S1288 WeakPolarHBondContact CG2-OG 3.45Å; T875-S1288 PolarHBondContact OG1-N 3.27Å; T875-S1288 VanDerWaalsContact OG1-N 3.14Å; T875-S1288 PolarHBondContact OG1-OG 3.22Å
876	C	28.8	Very low	30.4	Very low	34 Å²	34	103.2 Å²	103.2	23%	0.23	63%	0.629	C	S	.	*			cis	-161.3	159.4	3.9	-80.3	0	0	0	0	110.2	M1110 L1286	C876-M1110 HydrophobicContact CB-CB 3.72Å; C876-L1286 HydrophobicContact CB-CD2 3.43Å; C876-L1286 VanDerWaalsContact CB-CD2 3.43Å; C876-L1286 WeakPolarHBondContact SG-CD2 3.18Å
877	S	29.7	Very low	30.4	Very low	65 Å²	65	101.3 Å²	101.3	46%	0.455	63%	0.631	S	S	.	*			trans	78.5	126.8	155.4	-51.9	0	0	0	0	119.9	L1109 M1110 K1285	S877-L1109 VanDerWaalsContact CA-O 3.31Å; S877-L1109 WeakPolarHBondContact CA-O 3.28Å; S877-M1110 PolarHBondContact OG-O 3.29Å; S877-K1285 PolarHBondContact OG-NZ 3.05Å
878	A	32.2	Very low	30.2	Very low	46 Å²	46	101.2 Å²	101.2	38%	0.38	64%	0.638	S	S	.	*			trans	-89.8	177.6	174.2	0	0	0	0	0	114.3	E1108	A878-E1108 VanDerWaalsContact CB-O 3.31Å; A878-E1108 WeakPolarHBondContact CB-O 3.28Å
879	N	30.6	Very low	30	Very low	148 Å²	148	101.2 Å²	101.2	79%	0.791	64%	0.64	S	S	*	*				-177	141.9	126	-91.8	-8.8	0	0	0	114.1
880	N	29.5	Very low	29.8	Very low	121 Å²	121	106.5 Å²	106.5	65%	0.647	65%	0.648	S	S	*	*			trans	71.7	129.7	151.7	-61.9	3.1	0	0	0	122.6
881	N	28.9	Very low	30	Very low	85 Å²	85	109.6 Å²	109.6	46%	0.455	65%	0.653	S	S	.	*			trans	71.3	143.2	141.8	-63.1	-7.7	0	0	0	118.8
882	T	28.4	Very low	29.9	Very low	98 Å²	98	110.1 Å²	110.1	60%	0.601	66%	0.656	S	S	*	*			cis	-160.5	149.4	2	3.3	0	0	0	0	112
883	T	28.5	Very low	30	Very low	106 Å²	106	112.6 Å²	112.6	65%	0.65	66%	0.664	S	S	*	*			trans	55.6	125.5	142	-38.2	0	0	0	0	121.9	H1105	T883-H1105 PolarHBondContact N-NE2 3.37Å
884	A	28.2	Very low	30.2	Very low	87 Å²	87	112.5 Å²	112.5	72%	0.719	67%	0.67	S	S	*	*			trans	68	156.9	159.3	0	0	0	0	0	117.2
885	T	30.4	Very low	30.1	Very low	120 Å²	120	112.1 Å²	112.1	74%	0.736	68%	0.679	S	S	*	*			cis	-146	153.1	3.9	-25	0	0	0	0	110.7
886	T	28.9	Very low	30.1	Very low	138 Å²	138	117.6 Å²	117.6	85%	0.847	71%	0.706	S	S	*	*			trans	24.2	114.1	155.2	49.3	0	0	0	0	120.2
887	G	33.9	Very low	30.1	Very low	81 Å²	81	124.4 Å²	124.4	84%	0.835	74%	0.736	S	S	*	*			trans	-164	103	163.1	0	0	0	0	0	112.4
888	T	30.1	Very low	30.1	Very low	146 Å²	146	128.3 Å²	128.3	90%	0.896	75%	0.751	S	S	*	*			trans	-91.4	131.1	-176.2	49.1	0	0	0	0	112.7
889	C	29.4	Very low	30.2	Very low	130 Å²	130	131.9 Å²	131.9	88%	0.878	77%	0.77	S	S	*	*			trans	-154	156.1	153.4	-133.7	0	0	0	0	111.7
890	Q	28	Very low	30.1	Very low	174 Å²	174	130.1 Å²	130.1	81%	0.813	77%	0.768	S	S	*	*			trans	-96.4	143.1	-167.2	-59	150.6	-72.7	0	0	112.9
891	Q	34	Very low	30.1	Very low	200 Å²	200	133.9 Å²	133.9	94%	0.935	78%	0.782	S	S	*	*			trans	-162.7	163.2	139.6	-112.5	147.3	97.9	0	0	111.9
892	Q	29	Very low	30.3	Very low	166 Å²	166	134.8 Å²	134.8	78%	0.776	79%	0.794	S	S	*	*			trans	-110.4	-174	-162.9	-65.4	166.1	-75.4	0	0	112.8
893	H	32.6	Very low	30.5	Very low	173 Å²	173	139.4 Å²	139.4	80%	0.801	81%	0.808	S	S	*	*			trans	86.6	150.5	175.4	-49.2	-72.7	0	0	0	115
894	P	32.1	Very low	30.7	Very low	118 Å²	118	145.3 Å²	145.3	77%	0.766	82%	0.818	S	S	*	*				-122.9	151.9	-88.5	14	9	0	0	0	114
895	G	29.7	Very low	30.9	Very low	80 Å²	80	146.6 Å²	146.6	83%	0.825	82%	0.821	S	S	*	*			trans	-73.8	132.2	-178.1	0	0	0	0	0	114.2
896	I	28.2	Very low	31	Very low	154 Å²	154	148.2 Å²	148.2	79%	0.79	82%	0.823	S	S	*	*			trans	-81.3	115	167.8	-61.6	171.8	0	0	0	108
897	M	29.2	Very low	31	Very low	176 Å²	176	150.1 Å²	150.1	87%	0.867	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-92	132.4	171.6	-89.7	-167.4	68.9	0	0	111.8
898	I	29.7	Very low	30.7	Very low	147 Å²	147	151.5 Å²	151.5	75%	0.754	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-89.2	131.1	173.7	-58.9	169.8	0	0	0	108.3
899	P	34.2	Very low	30.6	Very low	122 Å²	122	150.9 Å²	150.9	79%	0.792	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-66.3	141.2	175.7	-19.7	32.6	0	0	0	112.4
900	C	28.2	Very low	30.7	Very low	111 Å²	111	152.8 Å²	152.8	75%	0.75	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-103.9	127.9	175.1	-173.4	0	0	0	0	110.7	C902	C900-C902 PolarHBondContact O-N 3.45Å
901	E	31	Very low	30.6	Very low	199 Å²	199	149.4 Å²	149.4	93%	0.93	81%	0.805	S	S	*	*			trans	-85.7	93.2	178.8	-65.4	-170.3	131.2	0	0	111.9
902	C	33.5	Very low	30.4	Very low	105 Å²	105	146.2 Å²	146.2	71%	0.709	80%	0.802	S	S	*	*			trans	-136.2	95.3	174.1	52.8	0	0	0	0	113.7	C900 R904	C900-C902 PolarHBondContact O-N 3.45Å; C902-R904 PolarHBondContact O-N 2.91Å
903	H	31.9	Very low	30.5	Very low	194 Å²	194	143.5 Å²	143.5	90%	0.898	80%	0.801	S	S	*	*			trans	-73.1	102.6	173.9	-78.5	-72.8	0	0	0	112.7
904	R	33.5	Very low	30.5	Very low	231 Å²	231	139.4 Å²	139.4	87%	0.872	80%	0.797	S	S	*	*			trans	173.3	102.3	137.2	-101.9	169.4	158.3	-164.2	-6.6	111.9	C902	C902-R904 PolarHBondContact O-N 2.91Å
905	C	30.5	Very low	30.4	Very low	113 Å²	113	141.5 Å²	141.5	76%	0.764	80%	0.801	S	S	*	*			trans	-156.4	124.3	147.8	-140.3	0	0	0	0	110.1
906	I	32.5	Very low	30.4	Very low	155 Å²	155	143.3 Å²	143.3	80%	0.795	79%	0.792	S	S	*	*			trans	-116.8	137.2	163.6	-61.6	176.1	0	0	0	104.1
907	H	29.2	Very low	30.6	Very low	177 Å²	177	141.7 Å²	141.7	82%	0.819	79%	0.785	S	S	*	*			trans	71.5	79.7	-161.2	-54.1	-89.1	0	0	0	115
908	C	28.5	Very low	30.7	Very low	110 Å²	110	141 Å²	141	74%	0.743	78%	0.779	S	S	*	*			trans	-155.8	105.1	138.3	-151.5	0	0	0	0	110.3
909	T	28	Very low	30.6	Very low	133 Å²	133	141 Å²	141	82%	0.816	78%	0.78	S	S	*	*			trans	-106.5	68.3	-175.7	49	0	0	0	0	111.5
910	H	31.6	Very low	30.4	Very low	171 Å²	171	140.7 Å²	140.7	79%	0.792	78%	0.781	S	S	*	*			trans	-136.3	136.9	171.9	-75.9	-56.4	0	0	0	113.2
911	S	25.9	Very low	30.3	Very low	102 Å²	102	139.8 Å²	139.8	71%	0.713	78%	0.781	S	S	*	*			trans	-78.7	128.9	178.7	47.9	0	0	0	0	111.8	S913	S911-S913 PolarHBondContact O-N 3.06Å
912	P	30.3	Very low	30.2	Very low	134 Å²	134	138.2 Å²	138.2	87%	0.87	78%	0.779	S	S	*	*			trans	-83.7	96	-179.5	32.5	-33.7	0	0	0	112
913	S	30.3	Very low	29.9	Very low	109 Å²	109	143.9 Å²	143.9	76%	0.762	79%	0.787	S	S	*	*			trans	-97.6	107.2	170.2	-68	0	0	0	0	111	S911	S911-S913 PolarHBondContact O-N 3.06Å
914	A	32.7	Very low	29.6	Very low	86 Å²	86	140.4 Å²	140.4	71%	0.711	78%	0.783	S	S	*	*			trans	51.7	123.5	161.3	0	0	0	0	0	120.3
915	L	29.8	Very low	29.2	Very low	162 Å²	162	135.7 Å²	135.7	85%	0.848	78%	0.775	S	S	*	*			trans	44.6	125.9	134.4	-52	170.1	0	0	0	117.8
916	N	30	Very low	29	Very low	118 Å²	118	135.8 Å²	135.8	63%	0.631	78%	0.776	S	S	*	*			cis	-172.1	174.2	36.7	-136.2	31.5	0	0	0	113.3
917	D	32.2	Very low	28.6	Very low	120 Å²	120	135.6 Å²	135.6	64%	0.642	78%	0.776	S	S	*	*			trans	71.4	108.5	149.9	-59.9	-37.2	0	0	0	124.2
918	H	30.9	Very low	28.5	Very low	162 Å²	162	137 Å²	137	75%	0.75	78%	0.776	S	S	*	*				80.3	118.1	127.4	-87.5	-120	0	0	0	123.5
919	L	28.3	Very low	28.4	Very low	147 Å²	147	137.9 Å²	137.9	77%	0.77	77%	0.772	S	S	*	*			trans	30.8	125.4	148.6	-72.3	88.5	0	0	0	118.8
920	S	30.5	Very low	28.5	Very low	116 Å²	116	139 Å²	139	81%	0.811	77%	0.767	S	S	*	*				-170.9	161.6	60.2	42.6	0	0	0	0	112.3
921	A	26.3	Very low	28.4	Very low	92 Å²	92	138.4 Å²	138.4	76%	0.76	77%	0.765	S	S	*	*			trans	-92.3	139.1	176	0	0	0	0	0	111.8
922	N	28	Very low	28.7	Very low	166 Å²	166	139.7 Å²	139.7	89%	0.888	76%	0.763	S	S	*	*			trans	-160.2	162.7	154.5	-110.6	-39	0	0	0	113.5
923	Y	27.4	Very low	28.7	Very low	224 Å²	224	139.1 Å²	139.1	88%	0.878	75%	0.753	S	S	*	*			trans	-86	145	-169.9	-75.3	-110.4	0	0	0	114.4
924	C	24.9	Very low	28.8	Very low	120 Å²	120	138.8 Å²	138.8	81%	0.811	74%	0.743	S	S	*	*			trans	-159.6	126.7	142.9	-131.3	0	0	0	0	107.2
925	N	25.8	Very low	28.7	Very low	132 Å²	132	142.8 Å²	142.8	71%	0.706	74%	0.744	S	S	*	*			cis	73.2	103.2	33.9	-166.3	32	0	0	0	115.1
926	C	25.1	Very low	28.9	Very low	115 Å²	115	140.6 Å²	140.6	78%	0.777	74%	0.739	S	S	*	*				-177.4	162	123.2	-101.5	0	0	0	0	112.9
927	N	25.5	Very low	28.9	Very low	151 Å²	151	143.2 Å²	143.2	81%	0.807	75%	0.748	S	S	*	*			trans	-120.2	-171	174.7	-91.7	-59.2	0	0	0	110
928	Y	26.7	Very low	28.8	Very low	208 Å²	208	145.2 Å²	145.2	82%	0.816	75%	0.754	S	S	*	*			trans	94.4	76.1	154.4	-100.2	-88.2	0	0	0	122.1
929	I	26.8	Very low	28.5	Very low	127 Å²	127	142.6 Å²	142.6	65%	0.651	75%	0.753	S	S	*	*				46.1	130.4	106.2	-62.5	176.6	0	0	0	121.5
930	H	29.8	Very low	28.5	Very low	156 Å²	156	141.2 Å²	141.2	72%	0.722	75%	0.751	S	S	*	*			trans	73.7	157.8	161.5	-77.1	-42.9	0	0	0	118.2
931	Q	30.1	Very low	28.3	Very low	160 Å²	160	142.9 Å²	142.9	75%	0.748	75%	0.751	S	S	*	*			cis	-156.8	130.5	19.8	-146.6	157.8	64	0	0	116.7
932	L	30.7	Very low	28.3	Very low	128 Å²	128	143 Å²	143	67%	0.67	75%	0.745	S	S	*	*			trans	38.8	135	142.8	-57.4	175.3	0	0	0	126.5
933	N	31.7	Very low	28.4	Very low	123 Å²	123	143.8 Å²	143.8	66%	0.658	74%	0.743	S	S	*	*			trans	71.1	159.3	135	-74.9	35.7	0	0	0	121.4
934	D	31.4	Very low	28.5	Very low	101 Å²	101	137.2 Å²	137.2	54%	0.54	73%	0.73	S	S	.	*			cis	-155.2	148.5	3.2	-134	-29.3	0	0	0	116.7
935	K	30.8	Very low	28.9	Very low	171 Å²	171	138.6 Å²	138.6	74%	0.743	73%	0.725	S	S	*	*			trans	58.7	157.9	151.6	-81	160.3	-163.7	78.5	0	124.7
936	P	35.1	Very low	29.2	Very low	115 Å²	115	136.2 Å²	136.2	75%	0.747	71%	0.709	S	S	*	*			trans	-123.6	169	-169.7	43.4	-30.6	0	0	0	116.6
937	Q	29.7	Very low	29.8	Very low	173 Å²	173	137.5 Å²	137.5	81%	0.808	71%	0.707	S	S	*	*			trans	-157.4	132.5	144.8	-86.4	-136.8	-15.4	0	0	115.7
938	Q	28.8	Very low	30.1	Very low	163 Å²	163	132.9 Å²	132.9	76%	0.762	69%	0.686	S	S	*	*			trans	25.9	129.6	143	-58.1	-176.4	-10.2	0	0	123.3
939	S	26.1	Very low	30.1	Very low	107 Å²	107	130.2 Å²	130.2	75%	0.748	68%	0.684	S	S	*	*				125.3	115.8	122	69.7	0	0	0	0	120.4
940	T	27.3	Very low	30	Very low	118 Å²	118	131.4 Å²	131.4	72%	0.724	69%	0.69	S	S	*	*			trans	63.6	121.1	144	53.3	0	0	0	0	123.4
941	N	26.8	Very low	29.9	Very low	150 Å²	150	130.6 Å²	130.6	80%	0.802	70%	0.696	S	S	*	*			trans	69.1	140	138.9	-63	11.7	0	0	0	119.5
942	C	25	Very low	29.7	Very low	94 Å²	94	127.1 Å²	127.1	64%	0.635	70%	0.695	S	S	*	*			cis	-161.3	142.7	-5.1	-105.4	0	0	0	0	111.4
943	H	31.1	Very low	29.5	Very low	183 Å²	183	125.8 Å²	125.8	85%	0.847	70%	0.696	S	S	*	*			trans	57.4	156	157.2	-68.2	-20.7	0	0	0	119.3
944	S	30.2	Very low	29.3	Very low	86 Å²	86	127 Å²	127	60%	0.601	70%	0.703	S	S	*	*			cis	-154	158.4	4.1	-136.5	0	0	0	0	112.9
945	Q	33	Very low	29.2	Very low	150 Å²	150	128.4 Å²	128.4	70%	0.701	72%	0.715	S	S	*	*			trans	61.3	144.2	153.4	-71.4	173.6	10.6	0	0	121	N362	N362-Q945 PolarHBondContact ND2-OE1 3.25Å
946	Q	31.7	Very low	29	Very low	82 Å²	82	125.1 Å²	125.1	38%	0.383	71%	0.713	S	S	.	*			cis	-162.8	164.8	-26.2	137.2	-173.2	-8.5	0	0	110.3	N361 N362 N363	N361-Q946 PolarHBondContact ND2-O 3.29Å; N362-Q946 HydrophobicContact CB-CG 4.15Å; N362-Q946 VanDerWaalsContact CG-CD 3.44Å; N362-Q946 WeakPolarHBondContact OD1-CB 3.27Å; N362-Q946 WeakPolarHBondContact OD1-CG 3.47Å; N363-Q946 PolarHBondContact O-NE2 2.74Å
947	L	37.2	Very low	28.7	Very low	141 Å²	141	124.8 Å²	124.8	74%	0.738	71%	0.714	S	S	*	*			trans	-107	178.5	-174.8	-124.7	171.7	0	0	0	110
948	P	33.1	Very low	28.7	Very low	54 Å²	54	122.2 Å²	122.2	35%	0.351	71%	0.71	S	S	.	*				-161.7	160.7	82.8	42.3	-21.3	0	0	0	119.2	N363	N363-P948 HydrophobicContact CB-CG 3.74Å; N363-P948 WeakPolarHBondContact ND2-CG 3.45Å
949	I	26.6	Very low	28.7	Very low	153 Å²	153	123.3 Å²	123.3	79%	0.785	71%	0.713	S	S	*	*			trans	60.4	121	149.9	-62.5	157.6	0	0	0	116.1
950	I	24.9	Very low	28.9	Very low	151 Å²	151	124 Å²	124	77%	0.774	71%	0.708	S	S	*	*			cis	-133.9	128	39	-54.8	165.1	0	0	0	111.8
951	T	25.7	Very low	29.1	Very low	140 Å²	140	123.6 Å²	123.6	86%	0.859	71%	0.71	S	S	*	*			trans	-171.2	143.2	149.2	1.8	0	0	0	0	113
952	A	26.6	Very low	29.4	Very low	86 Å²	86	119.7 Å²	119.7	71%	0.711	71%	0.706	S	S	*	*			trans	39.7	111	149.4	0	0	0	0	0	123.3
953	S	27.1	Very low	29.8	Very low	100 Å²	100	123.1 Å²	123.1	70%	0.699	72%	0.716	S	S	*	*			trans	61	125.5	131.9	54.7	0	0	0	0	124.5
954	D	28.1	Very low	29.8	Very low	150 Å²	150	119.8 Å²	119.8	80%	0.802	71%	0.713	S	S	*	*			trans	84	148	133.8	-58.4	-11.5	0	0	0	124.9
955	T	28.3	Very low	29.9	Very low	130 Å²	130	120.8 Å²	120.8	80%	0.798	72%	0.72	S	S	*	*			trans	98.1	92.8	158.7	67.8	0	0	0	0	122.6
956	S	27.2	Very low	29.8	Very low	101 Å²	101	117.5 Å²	117.5	71%	0.706	72%	0.718	S	S	*	*				49	128.3	126.1	62.3	0	0	0	0	125.2
957	S	29	Very low	29.9	Very low	108 Å²	108	123.7 Å²	123.7	76%	0.755	74%	0.74	S	S	*	*			trans	71.3	153.2	140.5	75.7	0	0	0	0	118.8
958	T	29.2	Very low	29.9	Very low	119 Å²	119	122.7 Å²	122.7	73%	0.73	74%	0.735	S	S	*	*			cis	-159.5	173.3	6.4	-16.5	0	0	0	0	111
959	F	28.6	Very low	29.8	Very low	186 Å²	186	126.9 Å²	126.9	82%	0.816	75%	0.75	S	S	*	*			trans	68	149.4	166.9	-91.8	-119	0	0	0	116.2
960	D	31.3	Very low	30.2	Very low	123 Å²	123	126.8 Å²	126.8	66%	0.658	75%	0.75	S	S	*	*			cis	-164.3	138.3	-18	-156.4	6.5	0	0	0	105.4
961	S	31.2	Very low	30.4	Very low	108 Å²	108	124.9 Å²	124.9	76%	0.755	75%	0.748	S	S	*	*				173.3	154.6	72.8	-53.2	0	0	0	0	108.6
962	G	32	Very low	30.4	Very low	69 Å²	69	126.6 Å²	126.6	71%	0.711	75%	0.751	S	S	*	*			trans	148.4	99	155.7	0	0	0	0	0	119.6
963	I	34.1	Very low	30.5	Very low	166 Å²	166	133.9 Å²	133.9	85%	0.851	76%	0.76	S	S	*	*			trans	79.1	113.6	146	-53.6	171.6	0	0	0	118.7
964	S	31.8	Very low	30.5	Very low	112 Å²	112	138.3 Å²	138.3	78%	0.783	77%	0.766	S	S	*	*			trans	79.5	100.6	149	-69.4	0	0	0	0	123.2
965	S	32	Very low	30.6	Very low	107 Å²	107	139.8 Å²	139.8	75%	0.748	77%	0.769	S	S	*	*				105.4	75.7	103.4	-167.3	0	0	0	0	121.3
966	A	30.1	Very low	30.6	Very low	81 Å²	81	139.7 Å²	139.7	67%	0.669	77%	0.767	S	S	*	*				76.4	160.3	121.5	0	0	0	0	0	122.2
967	Y	34.9	Very low	30.8	Very low	213 Å²	213	142.2 Å²	142.2	84%	0.835	77%	0.773	S	S	*	*			trans	70.4	108.4	-172.1	-65.6	-87.1	0	0	0	115.1
968	D	36	Very low	30.6	Very low	120 Å²	120	144.2 Å²	144.2	64%	0.642	78%	0.775	S	S	*	*				84.9	137.6	59	-83.6	-22.3	0	0	0	113.4
969	Q	32	Very low	30.7	Very low	142 Å²	142	145.3 Å²	145.3	66%	0.664	78%	0.777	S	S	*	*			cis	-166.8	176.4	-15.6	-145	-178.2	95.9	0	0	109.3
970	L	34	Very low	30.8	Very low	150 Å²	150	146.6 Å²	146.6	79%	0.785	78%	0.776	S	S	*	*			trans	76.7	159	157.4	-65.1	163.7	0	0	0	119.2
971	P	29.7	Very low	30.9	Very low	112 Å²	112	147.4 Å²	147.4	73%	0.727	78%	0.776	S	S	*	*			trans	-132.6	-179.7	-144.9	44.3	-28.6	0	0	0	117.4	R973	P971-R973 PolarHBondContact O-N 2.92Å
972	L	25.1	Very low	31	Very low	175 Å²	175	148 Å²	148	92%	0.916	77%	0.771	S	S	*	*			trans	-35.2	106.7	169.7	-67.3	165	0	0	0	115.8
973	R	28.3	Very low	31	Very low	239 Å²	239	155.2 Å²	155.2	90%	0.902	78%	0.776	S	S	*	*			trans	-159.5	140.8	150.3	-121	170.2	-174.2	179.3	0.7	116.6	P971	P971-R973 PolarHBondContact O-N 2.92Å
974	K	27.9	Very low	31.1	Very low	193 Å²	193	151.7 Å²	151.7	84%	0.839	77%	0.767	S	S	*	*			trans	-25.4	127.2	167.9	-53.2	172.8	178.1	-175.4	0	117.8
975	Q	30.4	Very low	31.2	Very low	182 Å²	182	155.4 Å²	155.4	85%	0.85	77%	0.771	S	S	*	*				-170.8	133.2	129.1	-101.2	163.4	9.8	0	0	105.9
976	V	27.1	Very low	31.3	Very low	127 Å²	127	155.1 Å²	155.1	77%	0.77	77%	0.769	S	S	*	*				58.6	86.9	55	-172.9	0	0	0	0	112
977	N	31.3	Very low	31.4	Very low	155 Å²	155	157.8 Å²	157.8	83%	0.829	77%	0.772	S	S	*	*			trans	-158.4	130.8	138.6	-107.4	-24.7	0	0	0	111.2
978	N	26.1	Very low	31.4	Very low	150 Å²	150	155 Å²	155	80%	0.802	77%	0.766	S	S	*	*			trans	-87.5	137.1	164.4	-61.2	-32.5	0	0	0	108
979	N	31.2	Very low	31.2	Very low	141 Å²	141	153.5 Å²	153.5	75%	0.754	77%	0.765	S	S	*	*			trans	179.8	129.3	146.2	-94.3	-37.6	0	0	0	108.5
980	R	29.6	Very low	31.1	Very low	213 Å²	213	158 Å²	158	80%	0.804	78%	0.776	S	S	*	*				72.3	121.7	91.7	-127.9	-165.3	-166.8	165.8	1.8	109.6
981	E	34.2	Very low	30.9	Very low	141 Å²	141	158.9 Å²	158.9	66%	0.659	78%	0.776	S	S	*	*				-163.5	156.5	51	-91.4	-175.9	-172.2	0	0	114.6
982	N	32.7	Very low	31	Very low	120 Å²	120	159 Å²	159	64%	0.642	78%	0.775	S	S	*	*			trans	58.3	142.6	147.4	-61.4	-32.5	0	0	0	119.8
983	R	32.9	Very low	31.2	Very low	220 Å²	220	158.2 Å²	158.2	83%	0.83	77%	0.772	S	S	*	*			cis	-162.9	149.3	-6.4	-105.1	167.3	167.8	162.8	-7.2	105.1
984	S	36	Very low	31.5	Very low	93 Å²	93	151.7 Å²	151.7	65%	0.65	76%	0.761	S	S	*	*			cis	-164.8	133.2	0.6	38	0	0	0	0	111.5
985	Q	34.4	Very low	31.7	Very low	189 Å²	189	149.5 Å²	149.5	88%	0.883	76%	0.758	S	S	*	*			trans	57.6	136.5	139	-60.1	177.2	15.8	0	0	119
986	S	34.3	Very low	31.8	Very low	101 Å²	101	151.1 Å²	151.1	71%	0.706	76%	0.762	S	S	*	*			cis	-174.7	158	7.6	37.3	0	0	0	0	109.2
987	L	32.1	Very low	32	Very low	137 Å²	137	155 Å²	155	72%	0.717	77%	0.769	S	S	*	*			cis	-164.1	179.3	-2	-116.9	170.6	0	0	0	109.8
988	H	34.2	Very low	32.1	Very low	155 Å²	155	151.5 Å²	151.5	72%	0.718	77%	0.769	S	S	*	*			trans	63.7	98.1	167.6	-44.5	123	0	0	0	116.5
989	S	31.4	Very low	32.5	Very low	89 Å²	89	154 Å²	154	62%	0.622	77%	0.773	S	S	*	*			cis	75.9	133.6	43.3	90.2	0	0	0	0	114.1
990	W	29.4	Very low	32.6	Very low	236 Å²	236	154.6 Å²	154.6	89%	0.894	77%	0.771	S	S	*	*			cis	-140	166.6	17.2	-88.3	83.9	0	0	0	113.6
991	Q	30.5	Very low	32.5	Very low	169 Å²	169	151 Å²	151	79%	0.79	77%	0.767	S	S	*	*			trans	-142.5	151.3	172.4	-169.1	-174.4	39.4	0	0	108.7
992	T	31.3	Very low	32.4	Very low	115 Å²	115	149.6 Å²	149.6	71%	0.706	77%	0.773	S	S	*	*			trans	156.9	124.1	137	49.9	0	0	0	0	116
993	N	29.6	Very low	32.3	Very low	157 Å²	157	150.3 Å²	150.3	84%	0.84	78%	0.781	S	S	*	*			trans	56.3	153	137.1	-72.7	-30.6	0	0	0	125.6
994	P	35.1	Very low	32.3	Very low	103 Å²	103	145.3 Å²	145.3	67%	0.669	78%	0.778	S	S	*	*			trans	-119	-171.2	-171.9	45	-33.3	0	0	0	116.1
995	N	31.1	Very low	32	Very low	146 Å²	146	152.8 Å²	152.8	78%	0.781	79%	0.792	S	S	*	*			trans	83.7	110.6	165.8	-69.6	-45.7	0	0	0	119.9
996	F	33.7	Very low	31.9	Very low	216 Å²	216	146.9 Å²	146.9	95%	0.947	78%	0.782	S	S	*	*				-158	160.3	125.4	-122.2	-84.3	0	0	0	111.3
997	K	31.1	Very low	31.9	Very low	210 Å²	210	148.9 Å²	148.9	91%	0.913	78%	0.784	S	S	*	*			trans	-93.5	141.9	-173.9	-63.8	174.9	179	174.9	0	113
998	G	33.4	Very low	32	Very low	80 Å²	80	152.5 Å²	152.5	83%	0.825	79%	0.788	S	S	*	*			trans	-153.3	139.3	171.2	0	0	0	0	0	112.5
999	K	34.2	Very low	32	Very low	202 Å²	202	150 Å²	150	88%	0.878	78%	0.784	S	S	*	*			trans	-95.2	169.2	-170.9	-59	174.5	180	176.5	0	113.1
1000	H	33.1	Very low	32.3	Very low	154 Å²	154	153.9 Å²	153.9	71%	0.713	79%	0.792	S	S	*	*			trans	113.1	99.6	130.1	-130.8	-110	0	0	0	119.9
1001	L	28.2	Very low	32.5	Very low	138 Å²	138	147.3 Å²	147.3	72%	0.723	78%	0.782	S	S	*	*			trans	64.1	154	134.4	-96.6	70	0	0	0	123.9
1002	S	31.9	Very low	32.7	Very low	112 Å²	112	143.8 Å²	143.8	78%	0.783	78%	0.782	S	S	*	*			trans	89.6	109.4	154.7	-58.3	0	0	0	0	119.9
1003	T	30.5	Very low	32.8	Very low	134 Å²	134	143.6 Å²	143.6	82%	0.822	79%	0.785	S	S	*	*			trans	-80.6	162	156.1	54.1	0	0	0	0	110.3
1004	P	34.1	Very low	33.2	Very low	116 Å²	116	144.2 Å²	144.2	75%	0.753	78%	0.78	S	S	*	*				-155.2	162.3	97.8	40.1	-21.9	0	0	0	118
1005	R	29.3	Very low	33.2	Very low	250 Å²	250	143 Å²	143	94%	0.943	77%	0.774	S	S	*	*			trans	22	126.1	145.3	-69.8	172.8	153.5	159.7	-7.7	121.4
1006	G	32.1	Very low	33.3	Very low	65 Å²	65	142.1 Å²	142.1	67%	0.67	77%	0.767	S	S	*	*				123.3	150	91.6	0	0	0	0	0	119.9
1007	N	33.1	Very low	33.3	Very low	142 Å²	142	140.2 Å²	140.2	76%	0.759	76%	0.755	S	S	*	*			trans	66.8	156.9	166.6	-62.7	-35.3	0	0	0	116.3
1008	R	34.7	Very low	33.4	Very low	213 Å²	213	135.6 Å²	135.6	80%	0.804	74%	0.74	S	S	*	*			cis	-173.9	159.6	-11.7	-105	172.5	-169.8	-150.9	-1.8	107
1009	T	34.7	Very low	33.4	Very low	102 Å²	102	137 Å²	137	63%	0.626	73%	0.728	S	S	*	*			cis	-168.4	-179.7	-25.4	19.2	0	0	0	0	107.4
1010	H	37.3	Very low	33.3	Very low	172 Å²	172	133.2 Å²	133.2	80%	0.796	72%	0.718	S	S	*	*			trans	83.7	140	169.1	-59.1	-65	0	0	0	117.3
1011	S	33.6	Very low	33.2	Very low	98 Å²	98	131.7 Å²	131.7	69%	0.685	72%	0.715	S	S	*	*			cis	-161.7	146.6	-3.4	-104.7	0	0	0	0	113.1
1012	A	34.6	Very low	33.3	Very low	94 Å²	94	130.6 Å²	130.6	78%	0.777	71%	0.71	S	S	*	*			trans	62.5	154.5	156	0	0	0	0	0	117.6
1013	S	34.6	Very low	33.3	Very low	112 Å²	112	130.6 Å²	130.6	78%	0.783	70%	0.701	S	S	*	*			cis	-173.8	157.7	-12.5	-105.4	0	0	0	0	108.4
1014	K	37	Very low	33.5	Very low	170 Å²	170	130.3 Å²	130.3	74%	0.739	70%	0.695	S	S	*	*			cis	-161.4	158.9	-4.6	-149.9	-162.4	157.5	-157.2	0	110.3
1015	S	34.4	Very low	33.3	Very low	76 Å²	76	131.3 Å²	131.3	53%	0.531	69%	0.694	S	S	.	*			trans	12.1	147.5	144.4	73.9	0	0	0	0	121.5
1016	M	33.6	Very low	33.7	Very low	128 Å²	128	126 Å²	126	63%	0.631	68%	0.684	S	S	*	*			cis	-153.5	166.3	38	-79.8	-177.3	149	0	0	110.3
1017	Y	35	Very low	33.4	Very low	176 Å²	176	126.7 Å²	126.7	69%	0.69	68%	0.678	S	S	*	*			cis	-155.8	153.6	4.6	-123.7	-37.2	0	0	0	109.5
1018	D	32.1	Very low	33.3	Very low	113 Å²	113	126.4 Å²	126.4	60%	0.604	68%	0.677	S	S	*	*			trans	31.5	144.7	135.8	-73.7	25.2	0	0	0	122
1019	N	34.2	Very low	33	Very low	109 Å²	109	121.7 Å²	121.7	58%	0.583	67%	0.668	S	S	*	*			cis	-153.8	147.8	3.9	-105.2	-33	0	0	0	107.7
1020	N	30.5	Very low	33	Very low	124 Å²	124	122.3 Å²	122.3	66%	0.663	67%	0.667	S	S	*	*				51.5	136.2	80.1	-62.9	-30.2	0	0	0	112.7
1021	N	31.2	Very low	32.8	Very low	122 Å²	122	120.7 Å²	120.7	65%	0.652	66%	0.664	S	S	*	*			cis	-167.8	167	19	-124.6	9.1	0	0	0	111.4
1022	N	31.9	Very low	32.4	Very low	114 Å²	114	120.2 Å²	120.2	61%	0.61	66%	0.661	S	S	*	*			trans	67.4	157.4	143.9	-67.2	30.3	0	0	0	118.9
1023	D	31.8	Very low	32.1	Very low	113 Å²	113	121.8 Å²	121.8	60%	0.604	66%	0.661	S	S	*	*			cis	-166.2	167.3	-13.9	-103.9	-10.2	0	0	0	109.6
1024	N	33.4	Very low	31.7	Very low	128 Å²	128	122.1 Å²	122.1	68%	0.684	66%	0.658	S	S	*	*			trans	69	131.3	158	-56.9	-12.6	0	0	0	117
1025	D	31.1	Very low	31.1	Very low	137 Å²	137	119.2 Å²	119.2	73%	0.733	66%	0.655	S	S	*	*				65.5	139	87.9	-46.1	-41.7	0	0	0	113.3
1026	D	35.7	Very low	30.7	Very low	138 Å²	138	120.9 Å²	120.9	74%	0.738	66%	0.662	S	S	*	*			cis	-121.9	153.4	7.4	-94.9	-70.6	0	0	0	109.7
1027	S	27.8	Very low	30.4	Very low	79 Å²	79	124.4 Å²	124.4	55%	0.552	67%	0.67	S	S	*	*				64.8	149.3	59.5	118.3	0	0	0	0	114.5
1028	N	29.4	Very low	30	Very low	136 Å²	136	121.4 Å²	121.4	73%	0.727	67%	0.67	S	S	*	*			trans	67.4	142.1	176	-75.4	-67.4	0	0	0	117.6
1029	N	29.6	Very low	29.6	Very low	114 Å²	114	125.3 Å²	125.3	61%	0.61	68%	0.676	S	S	*	*			cis	-163.5	175.2	-17	-151.1	-18.4	0	0	0	111
1030	N	34.6	Very low	29.3	Very low	115 Å²	115	127 Å²	127	62%	0.615	68%	0.68	S	S	*	*			trans	65.2	105.2	155.2	-63.8	-42.1	0	0	0	117.1
1031	N	32.7	Very low	29.3	Very low	138 Å²	138	126.7 Å²	126.7	74%	0.738	69%	0.687	S	S	*	*				86.8	145.2	73.8	-78.5	-21.1	0	0	0	113
1032	S	26.2	Very low	29.4	Very low	88 Å²	88	125.6 Å²	125.6	62%	0.615	69%	0.686	S	S	*	*			cis	172.6	130.8	-25.7	51.6	0	0	0	0	106.3
1033	V	26.7	Very low	29	Very low	127 Å²	127	125.3 Å²	125.3	77%	0.77	68%	0.684	S	S	*	*			trans	66.3	126.1	169.3	-166.8	0	0	0	0	112.8
1034	T	27	Very low	29.1	Very low	120 Å²	120	125.7 Å²	125.7	74%	0.736	68%	0.68	S	S	*	*				-164.7	117	76.1	-56.5	0	0	0	0	111.8
1035	T	25.3	Very low	28.7	Very low	108 Å²	108	124.1 Å²	124.1	66%	0.663	67%	0.672	S	S	*	*			trans	35.9	144.9	132.4	-35.3	0	0	0	0	121.8
1036	T	24.9	Very low	28.4	Very low	112 Å²	112	122.1 Å²	122.1	69%	0.687	67%	0.668	S	S	*	*			trans	68.9	133.7	165.1	23.2	0	0	0	0	115.7
1037	Y	27.2	Very low	28	Very low	202 Å²	202	123.3 Å²	123.3	79%	0.792	67%	0.673	S	S	*	*			cis	-137.1	161.8	16.4	-111.5	-87.2	0	0	0	112.4
1038	T	26.3	Very low	28	Very low	112 Å²	112	127.1 Å²	127.1	69%	0.687	69%	0.686	S	S	*	*			trans	2.6	148.7	151.5	49.7	0	0	0	0	121.4
1039	R	24.9	Very low	27.9	Very low	195 Å²	195	125.5 Å²	125.5	74%	0.736	69%	0.685	S	S	*	*			cis	-176.2	157.6	-9.5	-158.5	174.6	172.6	-180	-13.8	108.8
1040	E	27.6	Very low	27.9	Very low	145 Å²	145	124.7 Å²	124.7	68%	0.678	69%	0.689	S	S	*	*			trans	39.1	116.9	152.2	-77.3	152.8	-148.7	0	0	121.3
1041	C	29.2	Very low	27.4	Very low	117 Å²	117	124.5 Å²	124.5	79%	0.791	70%	0.695	S	S	*	*			trans	-68	162.3	132.9	-53.8	0	0	0	0	108.7
1042	P	33.7	Very low	27.2	Very low	100 Å²	100	128.8 Å²	128.8	65%	0.649	70%	0.702	S	S	*	*			cis	-152.8	-177.2	27.2	44	-23.1	0	0	0	118.2
1043	L	24.2	Very low	27.2	Very low	107 Å²	107	131.9 Å²	131.9	56%	0.56	71%	0.707	S	S	*	*			trans	60.3	176	141.4	-79	164.1	0	0	0	121.3	L116 N119	L116-L1043 HydrophobicContact CD2-CD1 4.25Å; L116-L1043 HydrophobicContact CD2-CD2 3.67Å; N119-L1043 WeakPolarHBondContact ND2-CB 3.22Å; N119-L1043 VanDerWaalsContact OD1-CD1 3.32Å; N119-L1043 WeakPolarHBondContact OD1-CD1 3.36Å
1044	K	34.3	Very low	27.2	Very low	121 Å²	121	134.1 Å²	134.1	53%	0.526	71%	0.707	S	S	.	*			trans	-68.2	159	-179.8	-46.1	157.7	-170.9	158.8	0	111.4	L116	L116-K1044 HydrophobicContact CD2-CD 4.49Å
1045	N	24.8	Very low	27.2	Very low	96 Å²	96	135.8 Å²	135.8	51%	0.513	71%	0.711	S	S	.	*			trans	-168.2	170	142	-112.6	51.8	0	0	0	110.7	A120 S121	A120-N1045 PolarHBondContact O-ND2 3.11Å; S121-N1045 WeakPolarHBondContact CA-OD1 3.27Å; S121-N1045 WeakPolarHBondContact CB-OD1 3.36Å; S121-N1045 PolarHBondContact N-OD1 2.92Å; S121-N1045 PolarHBondContact OG-OD1 3.1Å
1046	C	23.6	Very low	27.3	Very low	94 Å²	94	134.7 Å²	134.7	64%	0.635	71%	0.708	S	S	*	*			trans	-78.1	163	180	-57.9	0	0	0	0	114.3
1047	L	28.1	Very low	27.4	Very low	164 Å²	164	134 Å²	134	86%	0.859	70%	0.695	S	S	*	*			trans	-134	142.7	151.8	-82.3	179.1	0	0	0	111.1
1048	I	27.3	Very low	27.5	Very low	158 Å²	158	128.9 Å²	128.9	81%	0.81	68%	0.679	S	S	*	*			trans	-124	157	167	-70	175	0	0	0	106.3
1049	S	26.7	Very low	27.6	Very low	103 Å²	103	128.9 Å²	128.9	72%	0.72	68%	0.679	S	S	*	*			trans	94	121.8	161.8	-135	0	0	0	0	119.6
1050	S	30.2	Very low	27.9	Very low	97 Å²	97	125 Å²	125	68%	0.678	68%	0.677	S	S	*	*			trans	31.5	119.3	134.1	62.9	0	0	0	0	122.1
1051	C	25.4	Very low	28.2	Very low	111 Å²	111	123 Å²	123	75%	0.75	68%	0.677	S	S	*	*				-171.9	158	121.6	-91.4	0	0	0	0	106.4
1052	Y	27.3	Very low	28.2	Very low	228 Å²	228	120.7 Å²	120.7	89%	0.894	67%	0.673	S	S	*	*			cis	-138.1	172.1	30.2	-104	-88.8	0	0	0	113.8
1053	E	26.3	Very low	28	Very low	152 Å²	152	124.4 Å²	124.4	71%	0.71	68%	0.681	S	S	*	*			trans	-119.5	151.7	-179.6	-134.5	-174	147.8	0	0	110.4
1054	F	26.2	Very low	28.2	Very low	174 Å²	174	125.1 Å²	125.1	76%	0.763	68%	0.681	S	S	*	*			trans	60	153	173.2	-76.1	-95	0	0	0	116
1055	D	28.2	Very low	27.8	Very low	155 Å²	155	127.6 Å²	127.6	83%	0.829	69%	0.693	S	S	*	*			cis	-130.7	-177.9	31.4	-148.8	-16.9	0	0	0	114.6
1056	S	26.7	Very low	27.9	Very low	86 Å²	86	127.4 Å²	127.4	60%	0.601	70%	0.699	S	S	*	*			trans	-130.7	165.7	-159.3	-161.6	0	0	0	0	115.1
1057	K	27.5	Very low	28.2	Very low	97 Å²	97	130.2 Å²	130.2	42%	0.422	70%	0.703	S	S	.	*			trans	83.6	124.3	165.1	-54.7	-171.4	178.9	-166.8	0	119.6	S355	S355-K1057 PolarHBondContact OG-NZ 2.94Å; S355-K1057 VanDerWaalsContact OG-NZ 3.15Å
1058	Q	28.1	Very low	28.2	Very low	94 Å²	94	128.9 Å²	128.9	44%	0.439	69%	0.692	S	S	.	*			trans	68.4	138.4	136.7	-63.2	172.5	32.4	0	0	117.3	N353	N353-Q1058 PolarHBondContact ND2-OE1 2.92Å; N353-Q1058 PolarHBondContact OD1-NE2 3.41Å; N353-Q1058 PolarHBondContact OD1-OE1 3.15Å
1059	T	29.3	Very low	28.2	Very low	112 Å²	112	126.4 Å²	126.4	69%	0.687	68%	0.684	S	S	*	*			cis	-153.7	156.9	3.6	-6.8	0	0	0	0	112
1060	T	30.6	Very low	28.3	Very low	114 Å²	114	129.3 Å²	129.3	70%	0.699	69%	0.688	S	S	*	*			trans	-75.5	175.3	165.7	38.3	0	0	0	0	112.7
1061	P	35.2	Very low	28.1	Very low	104 Å²	104	130.2 Å²	130.2	68%	0.675	69%	0.685	S	S	*	*			cis	-138	174.8	-28.2	34.3	-16.4	0	0	0	115
1062	G	27.6	Very low	28.4	Very low	68 Å²	68	130.7 Å²	130.7	70%	0.701	68%	0.681	S	S	*	*				105.5	165.2	127.3	0	0	0	0	0	120
1063	Q	30.2	Very low	28.5	Very low	177 Å²	177	126 Å²	126	83%	0.827	67%	0.671	S	S	*	*			trans	65.7	146.3	166.7	-72	-169.3	-39.4	0	0	119
1064	Q	28.2	Very low	28.5	Very low	122 Å²	122	126.3 Å²	126.3	57%	0.57	67%	0.671	S	S	*	*			cis	-165.3	157.7	-28	-149.8	168.1	-15.3	0	0	110.3
1065	F	26.1	Very low	28.5	Very low	173 Å²	173	125.1 Å²	125.1	76%	0.759	67%	0.672	S	S	*	*			trans	62.9	165.2	166	-61	-71.2	0	0	0	118.1
1066	S	26.8	Very low	28.3	Very low	92 Å²	92	122.5 Å²	122.5	64%	0.643	67%	0.665	S	S	*	*			cis	178.6	-175.9	-40.6	-176	0	0	0	0	107.5
1067	Q	30.1	Very low	28.2	Very low	154 Å²	154	125.1 Å²	125.1	72%	0.72	67%	0.673	S	S	*	*			trans	73.5	143	159.3	-56.4	-171.5	-52.9	0	0	116.4
1068	H	28.9	Very low	28.1	Very low	135 Å²	135	124.8 Å²	124.8	63%	0.625	68%	0.682	S	S	*	*			cis	-151.3	122.4	-14.2	-119.7	-54.4	0	0	0	110.4
1069	T	26.4	Very low	28	Very low	106 Å²	106	125.8 Å²	125.8	65%	0.65	70%	0.698	S	S	*	*			trans	45.9	164.8	132.7	52.8	0	0	0	0	122.6
1070	M	28.6	Very low	28	Very low	164 Å²	164	125.6 Å²	125.6	81%	0.808	70%	0.702	S	S	*	*			trans	80.5	135.8	162.4	-63.8	-167.8	-177.3	0	0	116
1071	N	27.5	Very low	28	Very low	116 Å²	116	124.6 Å²	124.6	62%	0.62	70%	0.699	S	S	*	*			cis	-167.1	-177	-14.3	-126.7	23.5	0	0	0	111
1072	D	31.5	Very low	27.9	Very low	121 Å²	121	126.9 Å²	126.9	65%	0.647	70%	0.704	S	S	*	*			trans	70.3	114.9	142.3	-67.4	-31.2	0	0	0	122.3
1073	L	27.8	Very low	28.3	Very low	131 Å²	131	130.5 Å²	130.5	69%	0.686	70%	0.703	S	S	*	*				73.5	103.7	120.9	-64	172.1	0	0	0	121
1074	H	26.8	Very low	28.5	Very low	157 Å²	157	128.7 Å²	128.7	73%	0.727	69%	0.694	S	S	*	*				77.1	128.9	114.9	-83.6	-149	0	0	0	121.8
1075	L	25.8	Very low	28.7	Very low	149 Å²	149	126.8 Å²	126.8	78%	0.78	69%	0.685	S	S	*	*			trans	62.7	122.6	152.6	-81.1	60.8	0	0	0	116.8
1076	C	23.7	Very low	28.9	Very low	101 Å²	101	128.7 Å²	128.7	68%	0.682	69%	0.688	S	S	*	*			cis	85.4	130.2	49.2	-161.9	0	0	0	0	112.5
1077	D	24.6	Very low	29.2	Very low	141 Å²	141	130.7 Å²	130.7	75%	0.754	69%	0.687	S	S	*	*			trans	65	142.5	168.9	-75.7	-50	0	0	0	117.9
1078	S	26.6	Very low	29	Very low	89 Å²	89	128.6 Å²	128.6	62%	0.622	68%	0.681	S	S	*	*			cis	-169	179.8	-7.4	-127.4	0	0	0	0	110.3
1079	C	25.6	Very low	29.2	Very low	116 Å²	116	129 Å²	129	78%	0.784	69%	0.687	S	S	*	*			trans	70.5	152.2	154.1	-77	0	0	0	0	120.7
1080	S	30.1	Very low	29.1	Very low	108 Å²	108	133.6 Å²	133.6	76%	0.755	69%	0.693	S	S	*	*			cis	-172.3	156.4	-29.7	-120.9	0	0	0	0	114.6
1081	S	30	Very low	29.1	Very low	92 Å²	92	133.4 Å²	133.4	64%	0.643	69%	0.689	S	S	*	*			trans	79.3	169.5	146.5	-151.1	0	0	0	0	121.3
1082	I	33.9	Very low	29.2	Very low	152 Å²	152	134.6 Å²	134.6	78%	0.779	69%	0.691	S	S	*	*			trans	83.1	116.8	-179.5	-53.7	176.9	0	0	0	114.8
1083	H	36.1	Very low	28.9	Very low	145 Å²	145	137.1 Å²	137.1	67%	0.671	69%	0.693	S	S	*	*			cis	-176.8	169.1	-18	-109	-168.8	0	0	0	108
1084	H	33.6	Very low	28.7	Very low	139 Å²	139	139.1 Å²	139.1	64%	0.644	69%	0.691	S	S	*	*			cis	-176.3	168.8	-42	-121.1	172.1	0	0	0	107.8
1085	H	32.5	Very low	28.8	Very low	81 Å²	81	138.2 Å²	138.2	38%	0.375	69%	0.687	S	S	.	*			cis	-159.6	154.4	-8.4	-174.4	67.3	0	0	0	108.4	H1087 N1088	H1085-H1087 PolarHBondContact CD2-N 3.48Å; H1085-H1087 PolarHBondContact NE2-N 3.27Å; H1085-N1088 VanDerWaalsContact CE1-CG 3.46Å; H1085-N1088 PolarHBondContact CE1-ND2 2.8Å; H1085-N1088 PolarHBondContact NE2-ND2 2.88Å
1086	Y	30	Very low	29	Very low	213 Å²	213	136.8 Å²	136.8	84%	0.835	69%	0.689	S	S	*	*	S	Bend	trans	-162	109.9	138.5	-119.2	-72.4	0	0	0	113.2
1087	H	33.4	Very low	29.3	Very low	134 Å²	134	137.9 Å²	137.9	62%	0.62	68%	0.684	S	S	*	*			trans	44.8	113.3	170.8	-85.7	-91.6	0	0	0	119	H1085	H1085-H1087 PolarHBondContact CD2-N 3.48Å; H1085-H1087 PolarHBondContact NE2-N 3.27Å
1088	N	25.7	Very low	29.5	Very low	111 Å²	111	137.8 Å²	137.8	59%	0.594	68%	0.683	S	S	*	*			cis	54.9	110.9	43.3	-73.3	-21.5	0	0	0	115.7	H1085	H1085-N1088 VanDerWaalsContact CE1-CG 3.46Å; H1085-N1088 PolarHBondContact CE1-ND2 2.8Å; H1085-N1088 PolarHBondContact NE2-ND2 2.88Å
1089	L	32.6	Very low	29.6	Very low	144 Å²	144	139.5 Å²	139.5	75%	0.754	68%	0.684	S	S	*	*				-160.7	113.3	113.5	-106.7	159.4	0	0	0	111.1
1090	R	24.1	Very low	29.8	Very low	202 Å²	202	140.7 Å²	140.7	76%	0.762	68%	0.678	S	S	*	*			trans	-104.6	105.8	177.4	176.7	-170	-177	-160.9	0.1	108.6	H1092	R1090-H1092 PolarHBondContact NH2-CD2 3.42Å; R1090-H1092 PolarHBondContact NH2-NE2 3.28Å
1091	H	29.8	Very low	29.7	Very low	159 Å²	159	142.5 Å²	142.5	74%	0.736	67%	0.674	S	S	*	*			trans	-108.8	98.4	165.3	-94.2	-82.1	0	0	0	111.2	Y1093	H1091-Y1093 PolarHBondContact O-N 3.21Å
1092	H	28.2	Very low	29.6	Very low	142 Å²	142	144.5 Å²	144.5	66%	0.657	67%	0.673	S	S	*	*			trans	-73.1	107.7	148.5	-85.8	-91.4	0	0	0	107.8	R1090	R1090-H1092 PolarHBondContact NH2-CD2 3.42Å; R1090-H1092 PolarHBondContact NH2-NE2 3.28Å
1093	Y	26.1	Very low	29.4	Very low	174 Å²	174	142.5 Å²	142.5	68%	0.682	66%	0.66	S	S	*	*			trans	-153.2	129.7	150.2	-110.8	-91.4	0	0	0	107.8	H1091	H1091-Y1093 PolarHBondContact O-N 3.21Å
1094	R	24	Very low	29	Very low	173 Å²	173	140 Å²	140	65%	0.653	66%	0.659	S	S	*	*			cis	-155.2	176.6	-23.9	-114	-160.9	-179.8	151.8	1.6	106.1
1095	H	27.8	Very low	28.7	Very low	137 Å²	137	139.6 Å²	139.6	63%	0.634	66%	0.657	S	S	*	*			trans	0	127.7	151.5	-55.5	-117.5	0	0	0	115.2	H1097	H1095-H1097 AromaticContact CE1-NE2 3.68Å; H1095-H1097 AromaticContact CG-CD2 3.93Å; H1095-H1097 AromaticContact CG-NE2 3.92Å; H1095-H1097 AromaticContact ND1-CD2 3.3Å; H1095-H1097 PolarHBondContact ND1-CD2 3.2Å; H1095-H1097 VanDerWaalsContact ND1-CD2 3.3Å; H1095-H1097 AromaticContact ND1-NE2 2.88Å; H1095-H1097 PolarHBondContact ND1-NE2 2.86Å
1096	S	31.3	Very low	28.4	Very low	119 Å²	119	141.5 Å²	141.5	83%	0.832	68%	0.678	S	S	*	*				-165.1	162.5	61.4	44.2	0	0	0	0	112.3
1097	H	29.7	Very low	28.6	Very low	124 Å²	124	135.6 Å²	135.6	57%	0.574	67%	0.666	S	S	*	*			cis	-176.4	146.6	-33.2	-130.9	-69.2	0	0	0	105.9	H1095	H1095-H1097 AromaticContact CE1-NE2 3.68Å; H1095-H1097 AromaticContact CG-CD2 3.93Å; H1095-H1097 AromaticContact CG-NE2 3.92Å; H1095-H1097 AromaticContact ND1-CD2 3.3Å; H1095-H1097 PolarHBondContact ND1-CD2 3.2Å; H1095-H1097 VanDerWaalsContact ND1-CD2 3.3Å; H1095-H1097 AromaticContact ND1-NE2 2.88Å; H1095-H1097 PolarHBondContact ND1-NE2 2.86Å
1098	L	28.6	Very low	28.3	Very low	139 Å²	139	135.8 Å²	135.8	73%	0.728	67%	0.667	S	S	*	*			trans	69	152.7	162.4	-44	149.3	0	0	0	116.1
1099	L	28.5	Very low	28.3	Very low	126 Å²	126	135.4 Å²	135.4	66%	0.66	67%	0.665	S	S	*	*			cis	-156.3	153.9	-29.4	-105.4	-173.3	0	0	0	109.4
1100	H	29.6	Very low	27.9	Very low	140 Å²	140	130.9 Å²	130.9	65%	0.648	64%	0.64	S	S	*	*			trans	51	108.9	142.7	-72.5	-6	0	0	0	122.5
1101	H	29	Very low	28.3	Very low	146 Å²	146	124.7 Å²	124.7	68%	0.676	63%	0.625	S	S	*	*				76.7	134.7	109.1	-81.8	-56.1	0	0	0	123.6
1102	H	28.3	Very low	28.5	Very low	135 Å²	135	121.9 Å²	121.9	63%	0.625	62%	0.615	S	S	*	*			trans	87.2	135.8	134.6	-89.9	-74.7	0	0	0	122
1103	H	29	Very low	28.7	Very low	110 Å²	110	119.6 Å²	119.6	51%	0.509	61%	0.608	S	S	.	*			trans	66.2	93.6	156.2	-69.4	-58.4	0	0	0	121.6	H1105	H1103-H1105 PolarHBondContact O-N 3.37Å
1104	S	26.8	Very low	29	Very low	91 Å²	91	119.1 Å²	119.1	64%	0.636	62%	0.616	S	S	*	*				19.7	96.7	110.1	63.4	0	0	0	0	118.7
1105	H	28.4	Very low	29.3	Very low	131 Å²	131	118.1 Å²	118.1	61%	0.606	62%	0.617	S	S	*	*			trans	-165.6	164.1	139.4	-100.9	-14	0	0	0	111.2	T883 H1103	T883-H1105 PolarHBondContact N-NE2 3.37Å; H1103-H1105 PolarHBondContact O-N 3.37Å
1106	C	26.2	Very low	29.5	Very low	121 Å²	121	121.3 Å²	121.3	82%	0.818	62%	0.624	S	S	*	*			trans	-86.2	174.7	164.6	-60.3	0	0	0	0	109.1
1107	P	33.6	Very low	29.6	Very low	90 Å²	90	120.7 Å²	120.7	58%	0.584	61%	0.607	S	S	*	*			cis	-135.4	-158.2	5.1	42.9	-23.7	0	0	0	113.6
1108	E	26.3	Very low	29.6	Very low	138 Å²	138	122.9 Å²	122.9	65%	0.645	61%	0.611	S	S	*	*			trans	62.2	110.2	151.2	-75.8	-175.1	108.7	0	0	122.4	A878	A878-E1108 VanDerWaalsContact CB-O 3.31Å; A878-E1108 WeakPolarHBondContact CB-O 3.28Å
1109	L	25.8	Very low	29.6	Very low	103 Å²	103	121.4 Å²	121.4	54%	0.539	60%	0.604	S	S	.	*				68.8	130.6	120.6	-70.8	173.7	0	0	0	122.2	S877	S877-L1109 VanDerWaalsContact CA-O 3.31Å; S877-L1109 WeakPolarHBondContact CA-O 3.28Å
1110	M	25.8	Very low	29.7	Very low	49 Å²	49	122 Å²	122	24%	0.241	61%	0.605	C	S	.	*			trans	101.5	91.1	134.9	-72.4	148.5	174.1	0	0	122.1	T875 C876 S877 S1288	T875-M1110 HydrophobicContact CG2-CB 4.39Å; T875-M1110 HydrophobicContact CG2-CE 3.51Å; T875-M1110 HydrophobicContact CG2-CG 3.8Å; T875-M1110 HydrophobicContact CG2-SD 3.25Å; T875-M1110 WeakPolarHBondContact CG2-SD 3.29Å; C876-M1110 HydrophobicContact CB-CB 3.72Å; S877-M1110 PolarHBondContact OG-O 3.29Å; M1110-S1288 WeakPolarHBondContact CE-OG 3.49Å
1111	V	31.9	Very low	29.7	Very low	71 Å²	71	121.1 Å²	121.1	43%	0.43	61%	0.605	S	S	.	*				72	118.4	97.2	161.4	0	0	0	0	119.1	K1285	V1111-K1285 WeakPolarHBondContact O-CE 3.38Å
1112	N	33.3	Very low	29.7	Very low	100 Å²	100	120 Å²	120	54%	0.535	60%	0.604	S	S	.	*			trans	72.1	159.6	141.4	-73.2	37	0	0	0	120.8	K1285	N1112-K1285 WeakPolarHBondContact O-CE 3.3Å; N1112-K1285 WeakPolarHBondContact O-CG 3.2Å
1113	D	32.6	Very low	29.9	Very low	94 Å²	94	119.8 Å²	119.8	50%	0.503	61%	0.608	S	S	.	*			cis	-151.7	164.3	6.4	-137.4	-41.3	0	0	0	113.3
1114	L	32.2	Very low	29.8	Very low	165 Å²	165	123.1 Å²	123.1	86%	0.864	62%	0.621	S	S	*	*			trans	-159.4	123.7	137.1	-115.4	173.8	0	0	0	111.6
1115	K	31.8	Very low	30	Very low	152 Å²	152	127.8 Å²	127.8	66%	0.661	63%	0.633	S	S	*	*			trans	-90.2	169.1	-171.4	-72.2	175.3	173.3	171.7	0	113.5
1116	Y	31.4	Very low	30	Very low	203 Å²	203	130.6 Å²	130.6	80%	0.796	64%	0.643	S	S	*	*				176.1	151.5	106.7	-107.2	-99.7	0	0	0	110.5
1117	K	32.2	Very low	30.3	Very low	106 Å²	106	129.7 Å²	129.7	46%	0.461	64%	0.636	S	S	.	*			cis	-169.6	157.2	-37.2	-168.6	176.4	167.8	-164.2	0	110.2
1118	Y	31.2	Very low	30.1	Very low	170 Å²	170	131.2 Å²	131.2	67%	0.667	64%	0.644	S	S	*	*			trans	103.3	110.8	160.2	-66.7	-82.5	0	0	0	114.7
1119	D	28.6	Very low	30.2	Very low	108 Å²	108	130.7 Å²	130.7	58%	0.578	66%	0.655	S	S	*	*			cis	100.5	144.7	39.5	-72.7	-0.5	0	0	0	110.3
1120	M	29.4	Very low	30.5	Very low	139 Å²	139	129.4 Å²	129.4	69%	0.685	67%	0.667	S	S	*	*			cis	-169.6	160.4	-14.3	-108.5	-48.1	173.8	0	0	111.2
1121	N	29.8	Very low	31	Very low	122 Å²	122	136.7 Å²	136.7	65%	0.652	70%	0.697	S	S	*	*			trans	65	161.8	141.3	-71.3	-15	0	0	0	123.2
1122	N	29.7	Very low	31	Very low	123 Å²	123	139.6 Å²	139.6	66%	0.658	71%	0.71	S	S	*	*			cis	-173.7	-170.2	-43.3	-126.3	-42.2	0	0	0	111.4
1123	D	31.2	Very low	30.9	Very low	130 Å²	130	141 Å²	141	70%	0.695	72%	0.717	S	S	*	*			trans	102.1	90.9	148.1	-58.4	-39.6	0	0	0	121.4
1124	F	27.9	Very low	31	Very low	180 Å²	180	144.6 Å²	144.6	79%	0.789	73%	0.73	S	S	*	*				31.1	137.3	118.8	-76.2	-90.7	0	0	0	122.7
1125	E	30.5	Very low	31	Very low	188 Å²	188	143.8 Å²	143.8	88%	0.879	72%	0.722	S	S	*	*				-174.1	-176.4	104.5	-90.8	-103.6	97.2	0	0	112.1
1126	K	27.8	Very low	31	Very low	190 Å²	190	147.7 Å²	147.7	83%	0.826	73%	0.732	S	S	*	*			trans	-129.8	-166.4	-168.1	-117.7	175.2	-174.6	171.3	0	109.2
1127	P	32.9	Very low	31.1	Very low	102 Å²	102	145.4 Å²	145.4	66%	0.662	73%	0.733	S	S	*	*			cis	-137.8	-177.2	-6.9	30.6	-6.4	0	0	0	116.8
1128	T	29.3	Very low	31.3	Very low	122 Å²	122	147.3 Å²	147.3	75%	0.748	74%	0.744	S	S	*	*			trans	69.6	138.2	142.4	38.2	0	0	0	0	125.5
1129	S	29.2	Very low	31.3	Very low	128 Å²	128	147.4 Å²	147.4	90%	0.895	76%	0.755	S	S	*	*			trans	82.7	151.1	150.5	82.5	0	0	0	0	119
1130	G	32.8	Very low	31.3	Very low	76 Å²	76	150.6 Å²	150.6	78%	0.784	77%	0.766	S	S	*	*			trans	124.1	75.8	178.1	0	0	0	0	0	115.1	L1132	G1130-L1132 PolarHBondContact O-N 3.02Å
1131	K	34.4	Very low	31.4	Very low	201 Å²	201	152.1 Å²	152.1	87%	0.874	77%	0.772	S	S	*	*			trans	-63.5	123.6	177.9	-52	165.1	-178.5	174.8	0	111.9
1132	L	32.6	Very low	31.3	Very low	133 Å²	133	153.2 Å²	153.2	70%	0.696	78%	0.778	S	S	*	*			trans	178.9	137.1	146.6	-108.7	132.1	0	0	0	111.4	W255 G1130	W255-L1132 HydrophobicContact CH2-CD2 3.76Å; W255-L1132 HydrophobicContact CZ3-CD2 3.8Å; G1130-L1132 PolarHBondContact O-N 3.02Å
1133	L	30.7	Very low	31.1	Very low	130 Å²	130	152.2 Å²	152.2	68%	0.681	78%	0.78	S	S	*	*			cis	-155.9	158.8	-28.6	-166.7	62.3	0	0	0	110.4	H1135	L1133-H1135 PolarHBondContact O-N 3.21Å; L1133-H1135 VanDerWaalsContact O-N 3.1Å
1134	Q	34.6	Very low	30.9	Very low	168 Å²	168	150.8 Å²	150.8	79%	0.785	78%	0.78	S	S	*	*			trans	-63.1	97.8	175	-59.2	144.3	-63.5	0	0	112.1
1135	H	33.4	Very low	30.9	Very low	148 Å²	148	150.8 Å²	150.8	69%	0.685	78%	0.783	S	S	*	*			trans	-147.5	-2.9	172.2	-159.8	-91.4	0	0	0	115.7	S257 L1133	S257-H1135 PolarHBondContact OG-NE2 3.11Å; L1133-H1135 PolarHBondContact O-N 3.21Å; L1133-H1135 VanDerWaalsContact O-N 3.1Å
1136	W	31	Very low	30.9	Very low	234 Å²	234	146.6 Å²	146.6	89%	0.886	77%	0.772	S	S	*	*	S	Bend	trans	-125.1	-14.2	-171.3	-142.9	70.5	0	0	0	116.5
1137	L	34.2	Very low	30.7	Very low	155 Å²	155	144.6 Å²	144.6	81%	0.812	77%	0.77	S	S	*	*	S	Bend	trans	-131.9	68.3	170.3	-83.3	91.7	0	0	0	110.3
1138	Q	36.2	Very low	30.3	Very low	147 Å²	147	147.9 Å²	147.9	69%	0.687	78%	0.776	S	S	*	*			trans	-144.4	30.1	170.9	-161.7	59.2	68.4	0	0	111.5
1139	L	31.5	Very low	30.2	Very low	171 Å²	171	146 Å²	146	90%	0.895	77%	0.773	S	S	*	*	S	Bend	trans	-127.8	11.4	178.8	-90.1	172.7	0	0	0	114.2
1140	Q	29.4	Very low	30	Very low	175 Å²	175	144.3 Å²	144.3	82%	0.818	76%	0.761	S	S	*	*	S	Bend	trans	-140.5	141.9	163	-70.3	-169.1	-12.6	0	0	109.8
1141	Q	30.1	Very low	29.7	Very low	172 Å²	172	147.5 Å²	147.5	80%	0.804	76%	0.759	S	S	*	*			trans	68.5	102.3	171.6	-60.7	178.9	-8.1	0	0	117.6
1142	N	29	Very low	29.3	Very low	145 Å²	145	148.3 Å²	148.3	78%	0.775	76%	0.757	S	S	*	*			trans	147.9	105.5	149.9	-78.7	-2.2	0	0	0	107.8
1143	S	25.5	Very low	29.1	Very low	102 Å²	102	146.6 Å²	146.6	71%	0.713	75%	0.754	S	S	*	*				62.7	127.1	84.7	72.9	0	0	0	0	112.7
1144	S	26.6	Very low	29.2	Very low	99 Å²	99	146.3 Å²	146.3	69%	0.692	76%	0.759	S	S	*	*			cis	-170.9	145.5	11.7	43	0	0	0	0	111.8
1145	E	27.4	Very low	28.7	Very low	180 Å²	180	141.4 Å²	141.4	84%	0.841	75%	0.748	S	S	*	*			trans	58.2	179	155.1	-80.8	-165.2	138.1	0	0	118
1146	P	29.6	Very low	28.3	Very low	101 Å²	101	140.6 Å²	140.6	66%	0.656	75%	0.753	S	S	*	*			cis	-122.9	163.6	-17.8	14	9.7	0	0	0	114.5
1147	L	24.1	Very low	28.1	Very low	147 Å²	147	134.4 Å²	134.4	77%	0.77	74%	0.742	S	S	*	*			trans	47.3	144.7	138.1	-63.1	173	0	0	0	123.7
1148	H	25.5	Very low	27.7	Very low	171 Å²	171	132.9 Å²	132.9	79%	0.792	74%	0.739	S	S	*	*			trans	76.2	144.6	141.6	-102.1	-84.8	0	0	0	120.8
1149	A	26.3	Very low	27.3	Very low	83 Å²	83	130.9 Å²	130.9	69%	0.686	74%	0.737	S	S	*	*			trans	70.7	134.5	150.1	0	0	0	0	0	117.6
1150	S	25.9	Very low	27.1	Very low	92 Å²	92	128.3 Å²	128.3	64%	0.643	73%	0.729	S	S	*	*			cis	-163.8	167	-6.4	-118	0	0	0	0	112.3
1151	L	26.6	Very low	27.2	Very low	144 Å²	144	126.1 Å²	126.1	75%	0.754	73%	0.727	S	S	*	*			trans	20.1	128	134.4	-50.4	165.7	0	0	0	115.7
1152	R	25.8	Very low	27.5	Very low	218 Å²	218	121.5 Å²	121.5	82%	0.823	72%	0.719	S	S	*	*			cis	-176.5	171.5	19.7	-118	173.8	161.4	-174.6	-6.9	107
1153	P	27.9	Very low	27.9	Very low	97 Å²	97	120.8 Å²	120.8	63%	0.63	72%	0.715	S	S	*	*			trans	-80.2	147.9	172.4	34.8	-33.1	0	0	0	111.6	A1155	P1153-A1155 VanDerWaalsContact O-CB 3.3Å; P1153-A1155 WeakPolarHBondContact O-CB 3.4Å
1154	P	32.6	Very low	28.5	Very low	123 Å²	123	121.8 Å²	121.8	80%	0.799	71%	0.712	S	S	*	*				-72.5	110.9	126.2	30.9	-22.8	0	0	0	106.7
1155	A	25.2	Very low	29.2	Very low	66 Å²	66	123.7 Å²	123.7	55%	0.545	71%	0.714	S	S	.	*			cis	54.2	95.1	30	0	0	0	0	0	111.8	P1153	P1153-A1155 VanDerWaalsContact O-CB 3.3Å; P1153-A1155 WeakPolarHBondContact O-CB 3.4Å
1156	T	25	Very low	29.9	Very low	130 Å²	130	122.3 Å²	122.3	80%	0.798	71%	0.713	S	S	*	*			trans	64.5	156.2	166.8	59	0	0	0	0	114.9
1157	T	25.9	Very low	30.5	Very low	105 Å²	105	124.2 Å²	124.2	64%	0.644	72%	0.718	S	S	*	*			cis	-157.5	140.2	15.3	-22.8	0	0	0	0	109.6
1158	T	26.1	Very low	31.4	Very low	123 Å²	123	123.8 Å²	123.8	76%	0.755	72%	0.716	S	S	*	*			trans	58.7	173.6	151.4	47.1	0	0	0	0	117.1
1159	T	27	Very low	32.2	Very low	104 Å²	104	121.3 Å²	121.3	64%	0.638	71%	0.708	S	S	*	*			cis	-155	146.2	14	-22.7	0	0	0	0	110.1
1160	T	28.2	Very low	32.8	Very low	118 Å²	118	123.2 Å²	123.2	72%	0.724	70%	0.703	S	S	*	*			trans	55.5	143	147.7	52.3	0	0	0	0	119.2
1161	T	31.3	Very low	33.3	Very low	129 Å²	129	125.4 Å²	125.4	79%	0.791	70%	0.703	S	S	*	*			cis	-174.3	160.5	4.1	19.5	0	0	0	0	105.8
1162	A	36.1	Very low	33.7	Very low	75 Å²	75	125 Å²	125	62%	0.62	70%	0.696	S	S	*	*			cis	-164.9	152.5	4.8	0	0	0	0	0	110.7
1163	N	37.2	Very low	34.1	Very low	130 Å²	130	120.2 Å²	120.2	70%	0.695	69%	0.69	S	S	*	*			trans	78.3	108.7	139.7	-72.2	51.4	0	0	0	123.6
1164	D	39.1	Very low	34.3	Very low	123 Å²	123	124.9 Å²	124.9	66%	0.658	70%	0.701	S	S	*	*				108	121.4	112.3	-60.9	-2	0	0	0	122.8
1165	D	40.9	Very low	34.1	Very low	139 Å²	139	122.5 Å²	122.5	74%	0.743	69%	0.687	S	S	*	*			trans	87.5	78.7	137.5	-56.8	0	0	0	0	124.7
1166	D	42.1	Very low	34.3	Very low	150 Å²	150	125 Å²	125	80%	0.802	69%	0.69	S	S	*	*				74.9	158.5	107	-86.9	-10.6	0	0	0	128.4
1167	D	42.7	Very low	34.8	Very low	142 Å²	142	120.8 Å²	120.8	76%	0.759	67%	0.666	S	S	*	*			trans	70.9	139.5	171	-77.9	-34.9	0	0	0	121
1168	N	42.1	Very low	35.1	Very low	137 Å²	137	119.6 Å²	119.6	73%	0.733	66%	0.662	S	S	*	*			cis	168.1	154.8	-29.4	-105.7	-40.2	0	0	0	108
1169	D	41.8	Very low	35.4	Very low	119 Å²	119	119.7 Å²	119.7	64%	0.636	66%	0.658	S	S	*	*			cis	-134.9	-123.8	5.1	167.9	61.3	0	0	0	110.9	Q1171	D1169-Q1171 WeakPolarHBondContact OD2-CG 3.49Å; D1169-Q1171 PolarHBondContact OD2-NE2 3.32Å
1170	E	39.3	Very low	35.4	Very low	123 Å²	123	121.5 Å²	121.5	58%	0.575	66%	0.664	S	S	*	*			trans	-125.4	-118.1	-179.3	-167.4	-155.2	148.3	0	0	112.1	K1172	E1170-K1172 WeakPolarHBondContact OE1-CA 3.37Å; E1170-K1172 WeakPolarHBondContact OE1-CD 3.32Å; E1170-K1172 WeakPolarHBondContact OE2-CD 3.4Å; E1170-K1172 WeakPolarHBondContact OE2-CE 3.09Å; E1170-K1172 IonicContact OE2-NZ 2.65Å; E1170-K1172 PolarHBondContact OE2-NZ 3.48Å
1171	Q	36.5	Very low	35.3	Very low	138 Å²	138	119.9 Å²	119.9	65%	0.645	66%	0.662	S	S	*	*			cis	-150.7	149.8	-1.4	-71.9	-174.8	62.2	0	0	107.5	D1169	D1169-Q1171 WeakPolarHBondContact OD2-CG 3.49Å; D1169-Q1171 PolarHBondContact OD2-NE2 3.32Å
1172	K	36.2	Very low	35	Very low	137 Å²	137	120 Å²	120	60%	0.596	66%	0.662	S	S	*	*			cis	-150.6	170.2	-6.1	-139.8	89.8	-174	166.8	0	110	E1170	E1170-K1172 WeakPolarHBondContact OE1-CA 3.37Å; E1170-K1172 WeakPolarHBondContact OE1-CD 3.32Å; E1170-K1172 WeakPolarHBondContact OE2-CD 3.4Å; E1170-K1172 WeakPolarHBondContact OE2-CE 3.09Å; E1170-K1172 IonicContact OE2-NZ 2.65Å; E1170-K1172 PolarHBondContact OE2-NZ 3.48Å
1173	V	32.6	Very low	34.5	Very low	116 Å²	116	123.2 Å²	123.2	70%	0.703	67%	0.668	S	S	*	*			trans	-149.7	148.8	-179	124.7	0	0	0	0	112.3
1174	K	33.4	Very low	33.9	Very low	196 Å²	196	123.8 Å²	123.8	85%	0.852	67%	0.671	S	S	*	*			trans	133.8	162.3	167.1	-79.2	152.8	-165.5	160.3	0	114
1175	S	28.3	Very low	33.2	Very low	73 Å²	73	122.3 Å²	122.3	51%	0.51	67%	0.67	S	S	.	*			cis	-177.9	157.6	-17.1	55.2	0	0	0	0	116.1
1176	L	28.8	Very low	32.5	Very low	118 Å²	118	121.6 Å²	121.6	62%	0.618	67%	0.666	S	S	*	*			trans	70.8	142.6	136.3	-75.2	163.6	0	0	0	125.6	S370	S370-L1176 PolarHBondContact N-O 3.37Å; S370-L1176 PolarHBondContact OG-O 2.76Å
1177	S	34.7	Very low	31.9	Very low	42 Å²	42	120.3 Å²	120.3	29%	0.294	66%	0.659	S	S	.	*			trans	68.7	160	153.4	-95.7	0	0	0	0	121.2	S369 S370	S369-S1177 CarbonylContact C-O 3.36Å; S369-S1177 VanDerWaalsContact C-O 3.23Å; S369-S1177 VanDerWaalsContact CA-O 3.26Å; S369-S1177 WeakPolarHBondContact CA-O 3.38Å; S369-S1177 PolarHBondContact N-O 2.65Å; S370-S1177 PolarHBondContact N-O 3.16Å
1178	S	33.6	Very low	31.1	Very low	79 Å²	79	120.1 Å²	120.1	55%	0.552	66%	0.658	S	S	*	*			cis	-171.7	173.7	-43.6	50.7	0	0	0	0	110
1179	D	31.1	Very low	30.5	Very low	126 Å²	126	117.8 Å²	117.8	67%	0.674	65%	0.653	S	S	*	*			trans	76.7	118.5	156.5	-62	-66.3	0	0	0	122.8
1180	N	27.9	Very low	29.9	Very low	141 Å²	141	120 Å²	120	75%	0.754	66%	0.659	S	S	*	*			trans	60.9	113.7	130.6	-59.8	-43.7	0	0	0	123.5
1181	A	26.7	Very low	29.4	Very low	84 Å²	84	118.5 Å²	118.5	69%	0.694	67%	0.668	S	S	*	*				83.9	114.7	119	0	0	0	0	0	122
1182	V	24	Very low	29	Very low	131 Å²	131	119.4 Å²	119.4	79%	0.794	67%	0.672	S	S	*	*				81.6	142.3	121.4	168.2	0	0	0	0	119.2
1183	L	25	Very low	28.7	Very low	143 Å²	143	118.3 Å²	118.3	75%	0.749	67%	0.672	S	S	*	*			trans	72.8	114.4	173.6	-68.2	162.5	0	0	0	118.8
1184	L	25.1	Very low	28.5	Very low	143 Å²	143	117.6 Å²	117.6	75%	0.749	67%	0.672	S	S	*	*				62.7	133.2	126.1	-65.8	179.2	0	0	0	121.8
1185	S	24.6	Very low	28.5	Very low	91 Å²	91	116.4 Å²	116.4	64%	0.636	67%	0.667	S	S	*	*				87.5	133.1	126.2	-87.7	0	0	0	0	120.8
1186	N	26.4	Very low	28.6	Very low	124 Å²	124	118.7 Å²	118.7	66%	0.663	68%	0.678	S	S	*	*			trans	73.9	110.8	135.2	-72.1	59.9	0	0	0	118.8
1187	D	28.4	Very low	28.6	Very low	123 Å²	123	117.2 Å²	117.2	66%	0.658	68%	0.678	S	S	*	*				86.7	97.6	124	-65.6	-34.9	0	0	0	117.4
1188	N	27.3	Very low	28.3	Very low	138 Å²	138	122.8 Å²	122.8	74%	0.738	70%	0.696	S	S	*	*				76.6	126.8	73	179.8	20.4	0	0	0	111.4
1189	S	29	Very low	27.9	Very low	88 Å²	88	125.4 Å²	125.4	62%	0.615	70%	0.7	S	S	*	*			trans	69.7	149.1	177.4	95.2	0	0	0	0	112.8
1190	Q	28.8	Very low	27.7	Very low	165 Å²	165	124.7 Å²	124.7	77%	0.771	71%	0.705	S	S	*	*			cis	-154.9	141.4	15.9	-131	154.6	107	0	0	108.1
1191	A	28.3	Very low	27.6	Very low	93 Å²	93	122.6 Å²	122.6	77%	0.769	70%	0.701	S	S	*	*			trans	-177	84	133.3	0	0	0	0	0	112.9
1192	Q	29.4	Very low	27.6	Very low	157 Å²	157	122.9 Å²	122.9	73%	0.734	70%	0.698	S	S	*	*				67.2	124.4	122.5	-71.1	-167.3	10.2	0	0	122.6
1193	I	29	Very low	27.8	Very low	114 Å²	114	124.8 Å²	124.8	59%	0.585	70%	0.698	S	S	*	*			trans	84	86.6	133.3	-65.5	170.1	0	0	0	113.9
1194	S	28.6	Very low	27.9	Very low	101 Å²	101	121.7 Å²	121.7	71%	0.706	69%	0.693	S	S	*	*				59.3	118	71.3	-51.8	0	0	0	0	113.2
1195	K	33.6	Very low	28.2	Very low	171 Å²	171	125.7 Å²	125.7	74%	0.743	70%	0.698	S	S	*	*				-165.9	115.8	117.3	-102.6	143.6	-163.7	169.9	0	109.6
1196	T	30.1	Very low	28.5	Very low	121 Å²	121	129.4 Å²	129.4	74%	0.742	70%	0.703	S	S	*	*				67.6	135.3	105	63.7	0	0	0	0	113.7
1197	S	28.4	Very low	28.9	Very low	87 Å²	87	127.2 Å²	127.2	61%	0.608	70%	0.697	S	S	*	*			cis	178.8	164.1	1.7	-108.2	0	0	0	0	109.8
1198	K	29.3	Very low	29.4	Very low	158 Å²	158	128.7 Å²	128.7	69%	0.687	70%	0.7	S	S	*	*			trans	65.8	164.3	143.7	-74.3	177.2	169.5	-80.8	0	116.9
1199	E	25.5	Very low	29.9	Very low	134 Å²	134	128.4 Å²	128.4	63%	0.626	69%	0.694	S	S	*	*			cis	-159.3	141	-34.8	-117.9	161.9	-172.2	0	0	107.3
1200	S	26.2	Very low	30.3	Very low	112 Å²	112	130.6 Å²	130.6	78%	0.783	69%	0.694	S	S	*	*			trans	65.8	170.5	147.4	80.1	0	0	0	0	120.4
1201	S	25.8	Very low	30.7	Very low	97 Å²	97	129 Å²	129	68%	0.678	69%	0.687	S	S	*	*			trans	70.6	84.6	144.4	-148.4	0	0	0	0	121.2
1202	S	26	Very low	31.1	Very low	89 Å²	89	131 Å²	131	62%	0.622	68%	0.68	S	S	*	*				82.8	166	116.8	85.7	0	0	0	0	121.7
1203	H	28.9	Very low	31.6	Very low	171 Å²	171	130.1 Å²	130.1	79%	0.792	68%	0.675	S	S	*	*			trans	49.9	86.2	151.3	-61.9	-49	0	0	0	121.5
1204	A	28.1	Very low	32.1	Very low	79 Å²	79	131 Å²	131	65%	0.653	68%	0.676	S	S	*	*				55.3	149.2	102.7	0	0	0	0	0	122.3
1205	R	30.3	Very low	32.4	Very low	227 Å²	227	130.7 Å²	130.7	86%	0.857	68%	0.675	S	S	*	*			trans	79.1	151.8	161.4	-60.4	168	173.9	-179	-0.8	114.4
1206	K	32.2	Very low	32.8	Very low	168 Å²	168	127.9 Å²	127.9	73%	0.73	66%	0.664	S	S	*	*			cis	-164.4	154.1	1.5	-132.1	177.2	-178.9	-171.2	0	113.5
1207	S	34.5	Very low	33.1	Very low	78 Å²	78	131.1 Å²	131.1	55%	0.545	66%	0.663	S	S	.	*			trans	66.3	160.7	139.7	68.2	0	0	0	0	119.7
1208	H	38.5	Very low	33.4	Very low	154 Å²	154	134.8 Å²	134.8	71%	0.713	67%	0.667	S	S	*	*			cis	-130.7	129.3	10.5	-86.8	93.5	0	0	0	110.5
1209	H	37.7	Very low	33.7	Very low	133 Å²	133	131.9 Å²	131.9	62%	0.616	67%	0.667	S	S	*	*				78.1	145.7	100	-69.5	17.6	0	0	0	115.3
1210	H	37.3	Very low	34.1	Very low	134 Å²	134	131.1 Å²	131.1	62%	0.62	68%	0.677	S	S	*	*			cis	-141.7	137.8	8.6	-107.3	-51.6	0	0	0	110
1211	H	36.9	Very low	34.4	Very low	132 Å²	132	129.8 Å²	129.8	61%	0.611	67%	0.672	S	S	*	*				69.8	144.4	107.7	-70.5	18.6	0	0	0	117
1212	H	37.9	Very low	34.7	Very low	134 Å²	134	132.6 Å²	132.6	62%	0.62	67%	0.674	S	S	*	*			cis	-156.4	156.5	9.5	-125.8	-4	0	0	0	113.5
1213	H	39.2	Very low	34.9	Very low	138 Å²	138	137.7 Å²	137.7	64%	0.639	68%	0.68	S	S	*	*			trans	34.2	141.1	147.8	-72.9	-52.6	0	0	0	123.4
1214	H	39.6	Very low	35	Very low	132 Å²	132	137.1 Å²	137.1	61%	0.611	68%	0.681	S	S	*	*			cis	-146.8	-127.5	-1.8	-150.8	-24.2	0	0	0	115.8
1215	S	34.9	Very low	35.1	Very low	96 Å²	96	136.7 Å²	136.7	67%	0.671	68%	0.684	S	S	*	*			trans	-161.1	-136.9	-158	-46.5	0	0	0	0	111.8
1216	H	42.1	Very low	35.1	Very low	112 Å²	112	132.3 Å²	132.3	52%	0.519	68%	0.678	S	S	.	*			cis	-169.8	131.6	15.2	-144.1	36.5	0	0	0	114.6
1217	R	35.3	Very low	35.1	Very low	189 Å²	189	129.9 Å²	129.9	71%	0.713	67%	0.673	S	S	*	*			trans	71.4	159.4	145.7	-71.7	-177.3	170.4	160.4	-0	120.1
1218	K	35.8	Very low	34.8	Very low	163 Å²	163	132.3 Å²	132.3	71%	0.709	68%	0.68	S	S	*	*			cis	-157.5	145.9	-1.9	-118.6	175.8	178.2	-175.9	0	109
1219	S	34.6	Very low	34.3	Very low	97 Å²	97	131.2 Å²	131.2	68%	0.678	68%	0.679	S	S	*	*				52.3	147.4	93.3	94.7	0	0	0	0	117.2
1220	S	34.6	Very low	33.8	Very low	118 Å²	118	130.2 Å²	130.2	83%	0.825	68%	0.682	S	S	*	*			cis	-164.7	179.4	9.7	-150.3	0	0	0	0	113.5
1221	A	32.1	Very low	33.3	Very low	84 Å²	84	129.4 Å²	129.4	69%	0.694	68%	0.682	S	S	*	*			trans	-52.8	160.8	-179	0	0	0	0	0	119.6
1222	H	32.7	Very low	32.8	Very low	156 Å²	156	129.9 Å²	129.9	72%	0.722	69%	0.688	S	S	*	*				-174.2	154.2	119.4	-116.5	-44.8	0	0	0	116.6
1223	R	30.7	Very low	32.2	Very low	196 Å²	196	127.9 Å²	127.9	74%	0.74	70%	0.695	S	S	*	*			trans	71.4	128.9	152.5	-69.1	161.1	-164.9	-109.6	-2.2	116.5
1224	I	29.3	Very low	31.6	Very low	160 Å²	160	126.3 Å²	126.3	82%	0.821	70%	0.695	S	S	*	*				72.5	115.1	55.1	-61	165.7	0	0	0	111.1
1225	G	31.5	Very low	30.9	Very low	69 Å²	69	126.7 Å²	126.7	71%	0.711	70%	0.701	S	S	*	*			trans	155.4	64.2	-173.2	0	0	0	0	0	110.5
1226	N	30.4	Very low	30.5	Very low	135 Å²	135	129.2 Å²	129.2	72%	0.722	71%	0.707	S	S	*	*				73.9	130.1	94	-100.7	21.1	0	0	0	115.8
1227	N	30.5	Very low	29.7	Very low	117 Å²	117	129.2 Å²	129.2	63%	0.626	72%	0.72	S	S	*	*			trans	76.1	115.9	135.4	-66	7.9	0	0	0	121.1
1228	N	30	Very low	29.3	Very low	130 Å²	130	124.8 Å²	124.8	70%	0.695	72%	0.718	S	S	*	*			trans	85.4	127.3	133	-58.8	-10.9	0	0	0	116.9
1229	N	26.8	Very low	28.9	Very low	131 Å²	131	122.3 Å²	122.3	70%	0.701	72%	0.717	S	S	*	*			cis	69.6	150.5	44.3	-168.3	22.6	0	0	0	111.5
1230	V	28.4	Very low	28.6	Very low	111 Å²	111	123.8 Å²	123.8	67%	0.673	72%	0.717	S	S	*	*			trans	69.6	123.3	177.5	-173.5	0	0	0	0	113.1
1231	N	25.4	Very low	28.4	Very low	117 Å²	117	123.8 Å²	123.8	63%	0.626	71%	0.708	S	S	*	*			cis	-176.5	178	-17.5	-117.9	-21.9	0	0	0	107.9	A1233	N1231-A1233 PolarHBondContact O-N 2.89Å
1232	I	27.4	Very low	28.5	Very low	143 Å²	143	128.2 Å²	128.2	73%	0.733	71%	0.711	S	S	*	*			trans	23.7	95.9	135.4	-48.6	159.4	0	0	0	116.2
1233	A	25.7	Very low	28.3	Very low	92 Å²	92	127.9 Å²	127.9	76%	0.76	72%	0.715	S	S	*	*			trans	-165.4	130.1	145.9	0	0	0	0	0	110.2	N1231	N1231-A1233 PolarHBondContact O-N 2.89Å
1234	T	25.1	Very low	28.5	Very low	104 Å²	104	122.7 Å²	122.7	64%	0.638	71%	0.706	S	S	*	*			cis	-167.8	152.7	-28.8	1.7	0	0	0	0	106.8
1235	N	26.5	Very low	28.3	Very low	141 Å²	141	123.3 Å²	123.3	75%	0.754	70%	0.703	S	S	*	*			trans	64.5	114.8	158.2	-53.8	-19.2	0	0	0	115.6
1236	N	26.2	Very low	28.1	Very low	149 Å²	149	126.8 Å²	126.8	80%	0.797	70%	0.7	S	S	*	*				41.8	133.1	69.4	-77.9	-16.6	0	0	0	114.3
1237	S	25.5	Very low	28	Very low	112 Å²	112	124.9 Å²	124.9	78%	0.783	70%	0.698	S	S	*	*			trans	60.4	121.7	163.5	-51.1	0	0	0	0	115
1238	S	26.4	Very low	28	Very low	96 Å²	96	125.4 Å²	125.4	67%	0.671	70%	0.699	S	S	*	*				-162.4	142.1	52.3	-59.1	0	0	0	0	111.6
1239	T	26.7	Very low	27.9	Very low	111 Å²	111	125.1 Å²	125.1	68%	0.681	70%	0.698	S	S	*	*			trans	37.8	129.3	132.6	71.5	0	0	0	0	117.7
1240	N	28.8	Very low	28	Very low	128 Å²	128	127 Å²	127	68%	0.684	70%	0.7	S	S	*	*				-163.3	154.8	64.1	-114.9	-50	0	0	0	116.3
1241	N	29.6	Very low	28.1	Very low	117 Å²	117	127.8 Å²	127.8	63%	0.626	70%	0.7	S	S	*	*			trans	67.9	104.2	149.4	-72.3	-46.1	0	0	0	120.8
1242	K	35.5	Very low	28	Very low	178 Å²	178	128.2 Å²	128.2	77%	0.774	70%	0.703	S	S	*	*				101.7	49.6	124.1	-66.5	169.3	-174.6	173.5	0	119.5
1243	N	28.6	Very low	27.9	Very low	149 Å²	149	127.6 Å²	127.6	80%	0.797	70%	0.701	S	S	*	*				-55.3	159.7	121	-177.8	43.5	0	0	0	111.5
1244	P	33.9	Very low	27.9	Very low	86 Å²	86	129.3 Å²	129.3	56%	0.558	70%	0.697	S	S	*	*			cis	-99.3	-166.9	-38	20.8	-1.5	0	0	0	110.1
1245	K	25.7	Very low	27.9	Very low	174 Å²	174	131.5 Å²	131.5	76%	0.757	70%	0.7	S	S	*	*				160.6	147.5	112.9	-88.5	178.3	-178.8	-174.3	0	115.5
1246	H	27.8	Very low	27.8	Very low	141 Å²	141	129.3 Å²	129.3	65%	0.653	70%	0.696	S	S	*	*			trans	63.6	90	149	-79.2	-111.4	0	0	0	119.4	I1248	H1246-I1248 PolarHBondContact O-N 3.11Å
1247	S	27.3	Very low	27.8	Very low	96 Å²	96	126.8 Å²	126.8	67%	0.671	69%	0.686	S	S	*	*				0.3	101.9	109.4	57.3	0	0	0	0	116.3
1248	I	30.3	Very low	27.9	Very low	128 Å²	128	127.6 Å²	127.6	66%	0.656	68%	0.681	S	S	*	*			trans	-137.2	98.3	152.9	-52.8	177.5	0	0	0	102.9	H1246 F1250	H1246-I1248 PolarHBondContact O-N 3.11Å; I1248-F1250 HydrophobicContact CG2-CD2 3.61Å; I1248-F1250 HydrophobicContact CG2-CE2 3.45Å; I1248-F1250 VanDerWaalsContact CG2-CE2 3.45Å; I1248-F1250 HydrophobicContact CG2-CG 4.5Å; I1248-F1250 HydrophobicContact CG2-CZ 4.24Å
1249	N	27.3	Very low	27.9	Very low	123 Å²	123	128.6 Å²	128.6	66%	0.658	68%	0.679	S	S	*	*			cis	72.1	64.9	34.2	-137.9	74	0	0	0	112.3
1250	F	29.8	Very low	28	Very low	171 Å²	171	130.5 Å²	130.5	75%	0.75	68%	0.684	S	S	*	*			trans	-148.4	133.1	155.5	-67.6	-66.9	0	0	0	107	I1248	I1248-F1250 HydrophobicContact CG2-CD2 3.61Å; I1248-F1250 HydrophobicContact CG2-CE2 3.45Å; I1248-F1250 VanDerWaalsContact CG2-CE2 3.45Å; I1248-F1250 HydrophobicContact CG2-CG 4.5Å; I1248-F1250 HydrophobicContact CG2-CZ 4.24Å
1251	D	29.9	Very low	27.8	Very low	127 Å²	127	134.4 Å²	134.4	68%	0.679	69%	0.689	S	S	*	*			cis	-138	140.2	-29.4	-74.6	-59.3	0	0	0	104.1
1252	N	24.3	Very low	27.8	Very low	127 Å²	127	135 Å²	135	68%	0.679	69%	0.691	S	S	*	*				48.4	145.8	61.9	-98.6	1	0	0	0	115.1
1253	N	24.3	Very low	27.5	Very low	129 Å²	129	131.3 Å²	131.3	69%	0.69	68%	0.68	S	S	*	*			trans	63.1	122.5	174.2	-67.8	3.6	0	0	0	116.8
1254	L	26.1	Very low	27.8	Very low	129 Å²	129	133.8 Å²	133.8	68%	0.675	68%	0.684	S	S	*	*				76.9	150	51.2	-174.3	69.1	0	0	0	110.8
1255	E	25.6	Very low	27.7	Very low	149 Å²	149	134.9 Å²	134.9	70%	0.696	69%	0.685	S	S	*	*			trans	61.3	121.9	175.7	-78.9	133	-159	0	0	114.9
1256	S	25.1	Very low	28.1	Very low	96 Å²	96	133.6 Å²	133.6	67%	0.671	68%	0.682	S	S	*	*			cis	177.9	-170.5	0.8	-121.2	0	0	0	0	105
1257	T	26	Very low	28.3	Very low	96 Å²	96	132.4 Å²	132.4	59%	0.589	68%	0.68	S	S	*	*			trans	3.3	131.9	149	60.2	0	0	0	0	117.1
1258	N	26.9	Very low	28.6	Very low	128 Å²	128	133.5 Å²	133.5	68%	0.684	68%	0.678	S	S	*	*				-155.5	131	63.6	-88.3	-81.8	0	0	0	112.5
1259	N	25.7	Very low	28.9	Very low	117 Å²	117	132.7 Å²	132.7	63%	0.626	68%	0.676	S	S	*	*				43.7	159.8	104.4	-54.8	-31.9	0	0	0	119.8
1260	I	28.7	Very low	29.4	Very low	152 Å²	152	132.8 Å²	132.8	78%	0.779	68%	0.676	S	S	*	*			trans	83.9	88.9	177	-49	168.6	0	0	0	110.4
1261	R	26.4	Very low	29.8	Very low	210 Å²	210	131.5 Å²	131.5	79%	0.792	67%	0.672	S	S	*	*				80.8	161.1	56.7	-171	-177.4	173.6	171.3	2.4	111.5	D1263	R1261-D1263 WeakPolarHBondContact CG-OD2 3.37Å; R1261-D1263 IonicContact NE-OD2 3.79Å
1262	L	28.8	Very low	30.3	Very low	130 Å²	130	130.9 Å²	130.9	68%	0.681	67%	0.669	S	S	*	*			trans	83.3	87.3	-174.2	-49.2	177.6	0	0	0	108.3
1263	D	28.9	Very low	30.9	Very low	99 Å²	99	132.4 Å²	132.4	53%	0.529	67%	0.672	S	S	.	*				56.8	91.8	60.7	-37.9	-49.3	0	0	0	108.5	R1261	R1261-D1263 WeakPolarHBondContact CG-OD2 3.37Å; R1261-D1263 IonicContact NE-OD2 3.79Å
1264	F	35.5	Very low	31.2	Very low	201 Å²	201	131.8 Å²	131.8	88%	0.882	67%	0.668	S	S	*	*			trans	-169	133.1	142	-80.8	-56.3	0	0	0	108.9
1265	D	31.7	Very low	31.4	Very low	109 Å²	109	130.9 Å²	130.9	58%	0.583	66%	0.664	S	S	*	*			cis	-167.8	171.4	-41.7	-117.4	-41.6	0	0	0	107.2
1266	E	33.4	Very low	31.5	Very low	148 Å²	148	129.3 Å²	129.3	69%	0.692	67%	0.665	S	S	*	*			trans	53.8	125.9	141.5	-75.9	-172	174.5	0	0	121.9
1267	N	32.1	Very low	31.7	Very low	116 Å²	116	129.4 Å²	129.4	62%	0.62	67%	0.665	S	S	*	*				88.3	134.6	125.1	-66.1	-5.6	0	0	0	120.7
1268	N	34.2	Very low	31.8	Very low	118 Å²	118	129.8 Å²	129.8	63%	0.631	67%	0.672	S	S	*	*			cis	-169.6	-173.4	-22.1	-131.4	22.9	0	0	0	111.8
1269	D	36.7	Very low	31.8	Very low	112 Å²	112	128.8 Å²	128.8	60%	0.599	68%	0.675	S	S	*	*			trans	72.8	109.8	143	-63.4	-10.4	0	0	0	120.6
1270	D	37.5	Very low	32.1	Very low	124 Å²	124	129.8 Å²	129.8	66%	0.663	69%	0.686	S	S	*	*				83.5	126.6	115.3	-61.8	-0.9	0	0	0	120.3
1271	H	39	Very low	32.1	Very low	144 Å²	144	132.9 Å²	132.9	67%	0.667	69%	0.688	S	S	*	*			cis	-173.5	165.7	1.3	-127.7	-66.1	0	0	0	107.9
1272	D	39.7	Very low	32.4	Very low	114 Å²	114	129.6 Å²	129.6	61%	0.61	69%	0.685	S	S	*	*			trans	63.5	107.4	152.2	-62.2	-13.9	0	0	0	118.4
1273	E	36.1	Very low	32.4	Very low	159 Å²	159	130.4 Å²	130.4	74%	0.743	69%	0.69	S	S	*	*				49.4	126	63	-56.6	-151.5	147.6	0	0	112.7
1274	N	30.8	Very low	32.5	Very low	117 Å²	117	130.8 Å²	130.8	63%	0.626	70%	0.701	S	S	*	*				-161.5	129.8	77.7	-110.5	-89.6	0	0	0	115.9
1275	N	30.3	Very low	32.4	Very low	110 Å²	110	126 Å²	126	59%	0.588	68%	0.679	S	S	*	*			trans	58.6	91.6	131.5	-85.6	-37.2	0	0	0	122.6
1276	T	29	Very low	32.4	Very low	115 Å²	115	124.2 Å²	124.2	71%	0.706	67%	0.67	S	S	*	*				68.3	171.4	110.9	67.1	0	0	0	0	122.2
1277	S	28.8	Very low	32.4	Very low	98 Å²	98	119.4 Å²	119.4	69%	0.685	65%	0.652	S	S	*	*			trans	100.9	86.9	143.3	-67.1	0	0	0	0	118.2
1278	S	28.3	Very low	32.5	Very low	104 Å²	104	116 Å²	116	73%	0.727	64%	0.638	S	S	*	*				90.7	119.6	120	-61.5	0	0	0	0	119.7
1279	S	27.4	Very low	32.4	Very low	107 Å²	107	115.1 Å²	115.1	75%	0.748	64%	0.641	S	S	*	*				43.8	106.8	127.2	-57.8	0	0	0	0	118.9
1280	T	31.3	Very low	32.2	Very low	139 Å²	139	115.3 Å²	115.3	85%	0.853	65%	0.651	S	S	*	*				176	168.7	104.5	34.9	0	0	0	0	110.4
1281	R	28.1	Very low	31.8	Very low	216 Å²	216	114.3 Å²	114.3	82%	0.815	65%	0.654	S	S	*	*			cis	-179.3	156.7	-45.1	-144.8	177.9	-164.5	-174.1	4.8	105.7
1282	L	32.2	Very low	31.4	Very low	141 Å²	141	113 Å²	113	74%	0.738	66%	0.655	S	S	*	*			trans	74.1	125.3	169.6	-52.1	168.1	0	0	0	114.2
1283	N	29.5	Very low	30.8	Very low	147 Å²	147	115.4 Å²	115.4	79%	0.786	67%	0.665	S	S	*	*				82.9	135.7	52.4	-67.1	3.3	0	0	0	112.3
1284	S	31.1	Very low	30.6	Very low	108 Å²	108	115.1 Å²	115.1	76%	0.755	67%	0.666	S	S	*	*			cis	-161.9	160.6	-0.3	39	0	0	0	0	113.4
1285	K	33	Very low	30.5	Very low	99 Å²	99	116.6 Å²	116.6	43%	0.43	67%	0.669	S	S	.	*			trans	-5.8	150.8	140.2	-94.5	-178.5	170.3	-170.4	0	116.6	S877 V1111 N1112	S877-K1285 PolarHBondContact OG-NZ 3.05Å; V1111-K1285 WeakPolarHBondContact O-CE 3.38Å; N1112-K1285 WeakPolarHBondContact O-CE 3.3Å; N1112-K1285 WeakPolarHBondContact O-CG 3.2Å
1286	L	32.6	Very low	30.5	Very low	73 Å²	73	119.3 Å²	119.3	38%	0.382	68%	0.678	S	S	.	*				-158.6	-163.8	59.8	-67.3	161.6	0	0	0	110.5	T875 C876	T875-L1286 WeakPolarHBondContact O-CD1 3.46Å; C876-L1286 HydrophobicContact CB-CD2 3.43Å; C876-L1286 VanDerWaalsContact CB-CD2 3.43Å; C876-L1286 WeakPolarHBondContact SG-CD2 3.18Å
1287	S	33.7	Very low	30.4	Very low	46 Å²	46	119 Å²	119	32%	0.322	68%	0.681	S	S	.	*			trans	148	40.8	150.1	38.4	0	0	0	0	122.8	S874 T875	S874-S1287 WeakPolarHBondContact CA-OG 3.35Å; S874-S1287 PolarHBondContact OG-OG 3.03Å; S874-S1287 VanDerWaalsContact OG-OG 3.09Å; T875-S1287 WeakPolarHBondContact OG1-CA 3.44Å; T875-S1287 VanDerWaalsContact OG1-CB 3.28Å; T875-S1287 WeakPolarHBondContact OG1-CB 3.37Å; T875-S1287 PolarHBondContact OG1-N 3.33Å
1288	S	33.3	Very low	30.2	Very low	46 Å²	46	118.6 Å²	118.6	32%	0.322	68%	0.676	S	S	.	*			trans	-71.6	158.1	-170	63.4	0	0	0	0	122.2	T875 M1110	T875-S1288 WeakPolarHBondContact CG2-OG 3.45Å; T875-S1288 PolarHBondContact OG1-N 3.27Å; T875-S1288 VanDerWaalsContact OG1-N 3.14Å; T875-S1288 PolarHBondContact OG1-OG 3.22Å; M1110-S1288 WeakPolarHBondContact CE-OG 3.49Å
1289	S	33.4	Very low	30.3	Very low	99 Å²	99	121.8 Å²	121.8	69%	0.692	68%	0.679	S	S	*	*			trans	107.3	107.8	131.1	-72.8	0	0	0	0	124.3
1290	S	32.3	Very low	30.3	Very low	116 Å²	116	123.4 Å²	123.4	81%	0.811	69%	0.685	S	S	*	*				88.1	144.7	128.4	-150.1	0	0	0	0	123.8
1291	S	29	Very low	30.2	Very low	103 Å²	103	122.9 Å²	122.9	72%	0.72	68%	0.682	S	S	*	*			trans	97.3	117.4	147.6	-111.6	0	0	0	0	123.4
1292	V	29	Very low	30.2	Very low	116 Å²	116	118.1 Å²	118.1	70%	0.703	68%	0.682	S	S	*	*			trans	59.7	128.7	149.5	-101.1	0	0	0	0	125.6
1293	M	28.9	Very low	30.1	Very low	164 Å²	164	117.7 Å²	117.7	81%	0.808	69%	0.685	S	S	*	*			trans	79.6	119.8	133.5	-88.6	170.4	-167.3	0	0	124.5
1294	M	30.9	Very low	30.1	Very low	154 Å²	154	117.4 Å²	117.4	76%	0.759	69%	0.689	S	S	*	*			trans	70.8	138.7	132.1	-92	-172.8	163.6	0	0	122.8
1295	Q	29.8	Very low	30.2	Very low	148 Å²	148	115.6 Å²	115.6	69%	0.692	69%	0.687	S	S	*	*			trans	70.1	153.6	147.5	-71.9	177.4	49.1	0	0	117.7
1296	Q	28.6	Very low	30.1	Very low	166 Å²	166	116.7 Å²	116.7	78%	0.776	71%	0.707	S	S	*	*			cis	-159.9	164.7	-32.4	-130	179.6	25.2	0	0	110.2
1297	S	27.9	Very low	30.3	Very low	110 Å²	110	118.5 Å²	118.5	77%	0.769	73%	0.726	S	S	*	*			trans	77.3	-171.3	166	86.4	0	0	0	0	117.8
1298	C	23.9	Very low	30.6	Very low	88 Å²	88	119.9 Å²	119.9	60%	0.595	75%	0.747	S	S	*	*			trans	-53.3	161.7	-164.9	38.7	0	0	0	0	115.5
1299	H	29.8	Very low	31.8	Very low	171 Å²	171	122.2 Å²	122.2	79%	0.792	77%	0.769	S	S	*	*			cis	-143.2	174.6	43.3	-58	-91.7	0	0	0	116
1300	T	28.1	Very low	33.9	Very low	141 Å²	141	118.5 Å²	118.5	87%	0.865	75%	0.747	S	S	*	*			trans	-75.8	122.8	-179.1	44.8	0	0	0	0	113.6
1301	T	29.9	Very low	36.5	Very low	128 Å²	128	113.8 Å²	113.8	79%	0.785	71%	0.712	S	S	*	*			trans	-141.3	135.8	153.5	-32.8	0	0	0	0	110.1
1302	S	27.2	Very low	39.3	Very low	117 Å²	117	111.4 Å²	111.4	82%	0.818	69%	0.693	S	S	*	*			trans	-86.1	118.9	176.2	51.7	0	0	0	0	111.1
1303	T	30.8	Very low	42.4	Very low	132 Å²	132	105.9 Å²	105.9	81%	0.81	66%	0.66	S	S	*	*			trans	-128.7	127	169	42.4	0	0	0	0	111.4	G1305	T1303-G1305 PolarHBondContact O-N 3.21Å
1304	T	30	Very low	45.4	Very low	141 Å²	141	98.4 Å²	98.4	87%	0.865	63%	0.625	S	S	*	*			trans	-77.3	103	-170.4	45.6	0	0	0	0	112.8	S1306	T1304-S1306 PolarHBondContact O-N 2.86Å
1305	G	31.6	Very low	48.4	Very low	69 Å²	69	91.4 Å²	91.4	71%	0.711	59%	0.59	S	S	*	*			trans	-79.3	93.8	161.9	0	0	0	0	0	110.6	T1303 S1307	T1303-G1305 PolarHBondContact O-N 3.21Å; G1305-S1307 VanDerWaalsContact C-N 3.29Å; G1305-S1307 PolarHBondContact O-N 2.93Å
1306	S	31.9	Very low	51.5	Low	122 Å²	122	87.5 Å²	87.5	85%	0.853	57%	0.57	S	S	*	*			trans	-77.5	67.5	-174.4	-178.9	0	0	0	0	113.6	T1304	T1304-S1306 PolarHBondContact O-N 2.86Å
1307	S	36.2	Very low	54.4	Low	112 Å²	112	79.6 Å²	79.6	78%	0.783	53%	0.533	S	S	*	.			trans	-82.7	118.7	165.2	40.9	0	0	0	0	110.1	G1305 A1309	G1305-S1307 VanDerWaalsContact C-N 3.29Å; G1305-S1307 PolarHBondContact O-N 2.93Å; S1307-A1309 PolarHBondContact O-N 2.94Å
1308	G	41.1	Very low	57.3	Low	74 Å²	74	76 Å²	76	76%	0.763	51%	0.508	S	S	*	.			trans	-61.2	117.9	-167.1	0	0	0	0	0	114.2	G1310	G1308-G1310 VanDerWaalsContact C-N 3.31Å; G1308-G1310 PolarHBondContact O-N 3.44Å
1309	A	58.4	Low	60.1	Low	95 Å²	95	79.1 Å²	79.1	79%	0.785	52%	0.518	S	S	*	.			trans	-70.9	81.1	177.3	0	0	0	0	0	111.6	S1307	S1307-A1309 PolarHBondContact O-N 2.94Å
1310	G	76	Confident	62.7	Low	21 Å²	21	73.3 Å²	73.3	22%	0.216	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-64.5	131.4	176.2	0	0	0	0	0	111.9	G1308 V1312 W1328	G1308-G1310 VanDerWaalsContact C-N 3.31Å; G1308-G1310 PolarHBondContact O-N 3.44Å; G1310-V1312 PolarHBondContact O-N 2.69Å; G1310-W1328 WeakPolarHBondContact CA-O 3.43Å
1311	L	87.1	Confident	65.3	Low	17 Å²	17	71.7 Å²	71.7	9%	0.089	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	121.5	-179.2	169.7	62.2	0	0	0	110	V1313 W1328 S1369 L1371 L1415 G1418 V1420	L1311-V1313 HydrophobicContact CG-CG2 4.42Å; L1311-V1313 PolarHBondContact O-N 3.13Å; L1311-W1328 HydrophobicContact CB-CB 4.29Å; L1311-W1328 PolarHBondContact N-O 3.43Å; L1311-W1328 PolarHBondContact O-N 3.1Å; L1311-S1369 WeakPolarHBondContact CB-OG 3.48Å; L1311-S1369 WeakPolarHBondContact CD2-O 3.39Å; L1311-L1371 HydrophobicContact CD2-CB 3.93Å; L1311-L1371 HydrophobicContact CD2-CD2 4.45Å; L1311-L1415 HydrophobicContact CD1-CD2 3.76Å; L1311-L1415 HydrophobicContact CD2-CD2 4.27Å; L1311-G1418 WeakPolarHBondContact CD1-O 3.39Å; L1311-V1420 HydrophobicContact CD1-CG2 4.31Å; L1311-V1420 HydrophobicContact CD2-CG2 3.86Å; L1311-V1420 HydrophobicContact CG-CG2 4.25Å
1312	V	89.1	Confident	68	Low	53 Å²	53	70.6 Å²	70.6	32%	0.321	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	121.8	177.3	-179.1	0	0	0	0	109.5	G1310 K1419 V1420	G1310-V1312 PolarHBondContact O-N 2.69Å; V1312-K1419 HydrophobicContact CB-CG 4.37Å; V1312-K1419 WeakPolarHBondContact O-CA 3.41Å; V1312-V1420 PolarHBondContact O-N 3.44Å
1313	V	92.6	Very high	70.9	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	119.7	178.7	-178.1	0	0	0	0	108.6	L1311 R1325 T1326 W1328 L1371 F1376 L1379 V1420	L1311-V1313 HydrophobicContact CG-CG2 4.42Å; L1311-V1313 PolarHBondContact O-N 3.13Å; V1313-R1325 WeakPolarHBondContact O-CA 3.45Å; V1313-T1326 HydrophobicContact CB-CG2 3.92Å; V1313-T1326 HydrophobicContact CG1-CG2 4.4Å; V1313-T1326 PolarHBondContact N-O 2.98Å; V1313-T1326 PolarHBondContact O-N 3Å; V1313-W1328 HydrophobicContact CG2-CB 4.01Å; V1313-L1371 HydrophobicContact CG1-CD2 4.44Å; V1313-L1371 HydrophobicContact CG2-CD2 3.53Å; V1313-F1376 HydrophobicContact CG1-CD2 3.71Å; V1313-F1376 HydrophobicContact CG1-CE2 3.73Å; V1313-L1379 HydrophobicContact CG1-CD1 4.33Å; V1313-V1420 HydrophobicContact CB-CB 4.47Å; V1313-V1420 HydrophobicContact CG1-CB 4.29Å; V1313-V1420 HydrophobicContact CG1-CG1 4.19Å; V1313-V1420 HydrophobicContact CG2-CB 4.25Å
1314	G	92.8	Very high	73.8	Confident	8 Å²	8	63.8 Å²	63.8	8%	0.082	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133.2	174.7	0	0	0	0	0	111.6	Y1324 V1420 V1421 A1422	G1314-Y1324 CarbonylContact C-O 2.95Å; G1314-Y1324 VanDerWaalsContact CA-O 3.26Å; G1314-Y1324 WeakPolarHBondContact CA-O 3.37Å; G1314-V1420 PolarHBondContact N-O 3.02Å; G1314-V1421 CarbonylContact O-C 2.99Å; G1314-V1421 WeakPolarHBondContact O-CA 3.48Å; G1314-A1422 PolarHBondContact O-N 3.18Å
1315	Y	94	Very high	76.7	Confident	7 Å²	7	64.1 Å²	64.1	3%	0.027	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	137.7	177.6	66.7	-96.2	0	0	0	114.2	L1317 P1323 Y1324 F1376 L1379 I1380 A1381 A1422 V1424	Y1315-L1317 HydrophobicContact CD2-CB 4.25Å; Y1315-L1317 HydrophobicContact CE2-CB 4.25Å; Y1315-L1317 HydrophobicContact CE2-CD2 4.29Å; Y1315-P1323 CarbonylContact O-C 3.58Å; Y1315-P1323 WeakPolarHBondContact O-CA 3.42Å; Y1315-Y1324 HydrophobicContact CD2-CD2 4.12Å; Y1315-Y1324 HydrophobicContact CD2-CG 4.26Å; Y1315-Y1324 HydrophobicContact CE2-CD1 4.42Å; Y1315-Y1324 AromaticContact CE2-CD2 3.69Å; Y1315-Y1324 HydrophobicContact CE2-CD2 3.69Å; Y1315-Y1324 AromaticContact CE2-CG 3.62Å; Y1315-Y1324 HydrophobicContact CE2-CG 3.62Å; Y1315-Y1324 VanDerWaalsContact CZ-CB 3.47Å; Y1315-Y1324 AromaticContact CZ-CG 3.83Å; Y1315-Y1324 PolarHBondContact N-O 2.92Å; Y1315-Y1324 PolarHBondContact O-N 2.79Å; Y1315-F1376 AromaticContact CD1-CE2 3.81Å; Y1315-F1376 HydrophobicContact CD1-CE2 3.81Å; Y1315-F1376 AromaticContact CD1-CZ 3.99Å; Y1315-F1376 HydrophobicContact CD1-CZ 3.99Å; Y1315-F1376 HydrophobicContact CG-CE2 4.14Å; Y1315-F1376 AromaticContact CG-CZ 3.91Å; Y1315-F1376 HydrophobicContact CG-CZ 3.91Å; Y1315-L1379 PolarHBondContact OH-O 3.21Å; Y1315-I1380 HydrophobicContact CE2-CG2 4.46Å; Y1315-I1380 WeakPolarHBondContact OH-CA 3.4Å; Y1315-A1381 PolarHBondContact OH-N 3.11Å; Y1315-A1422 VanDerWaalsContact CA-O 3.31Å; Y1315-A1422 WeakPolarHBondContact CA-O 3.06Å; Y1315-V1424 HydrophobicContact CD2-CG2 4.33Å
1316	Y	93.4	Very high	79.4	Confident	65 Å²	65	63.5 Å²	63.5	26%	0.255	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	137.4	165.9	-60.8	-91.4	0	0	0	108.9	M624 P1323 A1422 V1424	M624-Y1316 VanDerWaalsContact CE-OH 3.25Å; M624-Y1316 WeakPolarHBondContact CE-OH 3.39Å; Y1316-P1323 HydrophobicContact CD1-CB 4.01Å; Y1316-P1323 HydrophobicContact CD2-CB 4.28Å; Y1316-P1323 HydrophobicContact CE1-CB 3.76Å; Y1316-P1323 HydrophobicContact CE1-CG 3.89Å; Y1316-P1323 HydrophobicContact CE2-CB 4.04Å; Y1316-P1323 HydrophobicContact CG-CB 4.26Å; Y1316-A1422 PolarHBondContact N-O 3.24Å; Y1316-V1424 PolarHBondContact O-N 3.04Å
1317	L	91.4	Very high	82	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	112.2	-175.7	-175.2	59	0	0	0	109.6	Y1315 D1319 D1320 Y1324 I1380 K1382 Y1386 V1424	Y1315-L1317 HydrophobicContact CD2-CB 4.25Å; Y1315-L1317 HydrophobicContact CE2-CB 4.25Å; Y1315-L1317 HydrophobicContact CE2-CD2 4.29Å; L1317-D1319 PolarHBondContact O-N 2.74Å; L1317-D1320 WeakPolarHBondContact O-CB 3.16Å; L1317-D1320 PolarHBondContact O-N 2.88Å; L1317-Y1324 HydrophobicContact CB-CD2 3.96Å; L1317-Y1324 HydrophobicContact CB-CE2 3.74Å; L1317-Y1324 HydrophobicContact CD2-CD2 4.43Å; L1317-Y1324 HydrophobicContact CD2-CE2 3.86Å; L1317-Y1324 HydrophobicContact CG-CE2 4.44Å; L1317-I1380 HydrophobicContact CD1-CG2 4.05Å; L1317-I1380 HydrophobicContact CD2-CG2 4.37Å; L1317-K1382 HydrophobicContact CD2-CB 4.08Å; L1317-K1382 HydrophobicContact CD2-CD 3.54Å; L1317-K1382 HydrophobicContact CD2-CG 3.74Å; L1317-K1382 HydrophobicContact CG-CD 4.29Å; L1317-Y1386 HydrophobicContact CD1-CE1 4.12Å; L1317-V1424 HydrophobicContact CD1-CB 3.88Å; L1317-V1424 HydrophobicContact CD1-CG1 3.7Å
1318	C	88.1	Confident	84.1	Confident	36 Å²	36	58.7 Å²	58.7	24%	0.243	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	-131.4	-170.2	-48.2	0	0	0	0	110.3	V1424	C1318-V1424 PolarHBondContact N-O 3.04Å
1319	D	81.9	Confident	85.7	Confident	153 Å²	153	60.1 Å²	60.1	82%	0.818	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	12.4	175.8	-53.4	-70.8	0	0	0	113.8	L1317 P1321	L1317-D1319 PolarHBondContact O-N 2.74Å; D1319-P1321 VanDerWaalsContact O-CD 3.29Å; D1319-P1321 WeakPolarHBondContact O-CD 3.3Å; D1319-P1321 VanDerWaalsContact O-N 3.15Å
1320	D	85.7	Confident	85.9	Confident	49 Å²	49	57.9 Å²	57.9	26%	0.262	33%	0.326	S	S	.	.			trans	-60.9	116.1	176.3	-67.4	-37.5	0	0	0	109.4	L1317 V1322 Y1324 K1382	L1317-D1320 WeakPolarHBondContact O-CB 3.16Å; L1317-D1320 PolarHBondContact O-N 2.88Å; D1320-V1322 PolarHBondContact O-N 2.98Å; D1320-Y1324 HydrophobicContact CB-CE2 4.46Å; D1320-K1382 IonicContact OD1-NZ 2.69Å; D1320-K1382 PolarHBondContact OD1-NZ 3.28Å; D1320-K1382 IonicContact OD2-NZ 2.64Å; D1320-K1382 PolarHBondContact OD2-NZ 2.92Å
1321	P	83	Confident	84.4	Confident	106 Å²	106	59.7 Å²	59.7	69%	0.688	34%	0.344	S	S	*	.	S	Bend	trans	-77	-7.1	-169.4	30.7	-36.6	0	0	0	113.9	D1319	D1319-P1321 VanDerWaalsContact O-CD 3.29Å; D1319-P1321 WeakPolarHBondContact O-CD 3.3Å; D1319-P1321 VanDerWaalsContact O-N 3.15Å
1322	V	84.7	Confident	81.8	Confident	106 Å²	106	63.7 Å²	63.7	64%	0.642	37%	0.374	S	S	*	.	S	Bend	trans	-109.1	122	178.6	-179.1	0	0	0	0	108.3	D1320 Y1324	D1320-V1322 PolarHBondContact O-N 2.98Å; V1322-Y1324 PolarHBondContact O-N 3.21Å
1323	P	88.3	Confident	79.4	Confident	25 Å²	25	69.7 Å²	69.7	16%	0.162	40%	0.398	C	S	.	.			trans	-71.1	127.3	177.1	27.8	-31.5	0	0	0	110.4	Y1315 Y1316	Y1315-P1323 CarbonylContact O-C 3.58Å; Y1315-P1323 WeakPolarHBondContact O-CA 3.42Å; Y1316-P1323 HydrophobicContact CD1-CB 4.01Å; Y1316-P1323 HydrophobicContact CD2-CB 4.28Å; Y1316-P1323 HydrophobicContact CE1-CB 3.76Å; Y1316-P1323 HydrophobicContact CE1-CG 3.89Å; Y1316-P1323 HydrophobicContact CE2-CB 4.04Å; Y1316-P1323 HydrophobicContact CG-CB 4.26Å
1324	Y	92	Very high	76.6	Confident	81 Å²	81	75.7 Å²	75.7	32%	0.318	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	135.7	165.3	-69.7	-96.1	0	0	0	108.8	G1314 Y1315 L1317 D1320 V1322 A1381 K1382	G1314-Y1324 CarbonylContact C-O 2.95Å; G1314-Y1324 VanDerWaalsContact CA-O 3.26Å; G1314-Y1324 WeakPolarHBondContact CA-O 3.37Å; Y1315-Y1324 HydrophobicContact CD2-CD2 4.12Å; Y1315-Y1324 HydrophobicContact CD2-CG 4.26Å; Y1315-Y1324 HydrophobicContact CE2-CD1 4.42Å; Y1315-Y1324 AromaticContact CE2-CD2 3.69Å; Y1315-Y1324 HydrophobicContact CE2-CD2 3.69Å; Y1315-Y1324 AromaticContact CE2-CG 3.62Å; Y1315-Y1324 HydrophobicContact CE2-CG 3.62Å; Y1315-Y1324 VanDerWaalsContact CZ-CB 3.47Å; Y1315-Y1324 AromaticContact CZ-CG 3.83Å; Y1315-Y1324 PolarHBondContact N-O 2.92Å; Y1315-Y1324 PolarHBondContact O-N 2.79Å; L1317-Y1324 HydrophobicContact CB-CD2 3.96Å; L1317-Y1324 HydrophobicContact CB-CE2 3.74Å; L1317-Y1324 HydrophobicContact CD2-CD2 4.43Å; L1317-Y1324 HydrophobicContact CD2-CE2 3.86Å; L1317-Y1324 HydrophobicContact CG-CE2 4.44Å; D1320-Y1324 HydrophobicContact CB-CE2 4.46Å; V1322-Y1324 PolarHBondContact O-N 3.21Å; Y1324-A1381 HydrophobicContact CE1-CB 4.25Å; Y1324-K1382 WeakPolarHBondContact OH-CE 3.16Å
1325	R	90.3	Very high	73.9	Confident	148 Å²	148	80.4 Å²	80.4	56%	0.558	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.8	178.3	-72.5	-178.3	176.9	-114.2	0.1	110.8	L625 V1313	L625-R1325 VanDerWaalsContact CD1-NH2 3.3Å; V1313-R1325 WeakPolarHBondContact O-CA 3.45Å
1326	T	88.7	Confident	71.1	Confident	55 Å²	55	85.3 Å²	85.3	34%	0.337	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	162.8	171.8	-172.8	0	0	0	0	110.1	V1313 L1379	V1313-T1326 HydrophobicContact CB-CG2 3.92Å; V1313-T1326 HydrophobicContact CG1-CG2 4.4Å; V1313-T1326 PolarHBondContact N-O 2.98Å; V1313-T1326 PolarHBondContact O-N 3Å; T1326-L1379 HydrophobicContact CG2-CD1 4.02Å; T1326-L1379 HydrophobicContact CG2-CD2 4.36Å
1327	V	86.8	Confident	68.2	Low	81 Å²	81	88.9 Å²	88.9	49%	0.491	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	111.5	174.7	179.9	0	0	0	0	107.5	T1329	V1327-T1329 VanDerWaalsContact C-N 3.27Å; V1327-T1329 HydrophobicContact CG1-CG2 4.19Å; V1327-T1329 PolarHBondContact O-N 3.24Å
1328	W	81.5	Confident	65.6	Low	53 Å²	53	93.6 Å²	93.6	20%	0.201	56%	0.556	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.3	82.8	172.9	-174.7	-100	0	0	0	109.4	G1310 L1311 V1313 G1330 L1371 Q1375 L1379	G1310-W1328 WeakPolarHBondContact CA-O 3.43Å; L1311-W1328 HydrophobicContact CB-CB 4.29Å; L1311-W1328 PolarHBondContact N-O 3.43Å; L1311-W1328 PolarHBondContact O-N 3.1Å; V1313-W1328 HydrophobicContact CG2-CB 4.01Å; W1328-G1330 PolarHBondContact O-N 2.92Å; W1328-L1371 HydrophobicContact CD2-CD1 3.59Å; W1328-L1371 VanDerWaalsContact CE2-CD1 3.46Å; W1328-L1371 HydrophobicContact CE3-CD1 3.96Å; W1328-L1371 HydrophobicContact CG-CD1 4.01Å; W1328-L1371 HydrophobicContact CH2-CD1 4.08Å; W1328-L1371 HydrophobicContact CZ2-CD1 3.74Å; W1328-L1371 HydrophobicContact CZ3-CD1 4.18Å; W1328-Q1375 HydrophobicContact CH2-CB 3.92Å; W1328-Q1375 HydrophobicContact CH2-CG 4.25Å; W1328-Q1375 HydrophobicContact CZ2-CB 4.11Å; W1328-Q1375 HydrophobicContact CZ2-CG 4.21Å; W1328-L1379 HydrophobicContact CE3-CD1 3.79Å; W1328-L1379 HydrophobicContact CE3-CD2 3.91Å; W1328-L1379 HydrophobicContact CE3-CG 4.21Å; W1328-L1379 HydrophobicContact CZ3-CD1 4.12Å; W1328-L1379 HydrophobicContact CZ3-CD2 3.85Å; W1328-L1379 HydrophobicContact CZ3-CG 4.11Å
1329	T	74.7	Confident	63.1	Low	104 Å²	104	97 Å²	97	64%	0.638	58%	0.58	S	S	*	*			trans	-66.7	98.3	161.4	52.2	0	0	0	0	107.3	V1327 G1331	V1327-T1329 VanDerWaalsContact C-N 3.27Å; V1327-T1329 HydrophobicContact CG1-CG2 4.19Å; V1327-T1329 PolarHBondContact O-N 3.24Å; T1329-G1331 PolarHBondContact O-N 3.14Å
1330	G	60.8	Low	60.9	Low	48 Å²	48	95 Å²	95	50%	0.495	58%	0.578	S	S	.	*			trans	-52.3	102.5	-171	0	0	0	0	0	112.4	W1328 S1332	W1328-G1330 PolarHBondContact O-N 2.92Å; G1330-S1332 PolarHBondContact O-N 3.44Å; G1330-S1332 VanDerWaalsContact O-N 3.1Å
1331	G	45.4	Very low	58.4	Low	58 Å²	58	97.3 Å²	97.3	60%	0.598	60%	0.598	S	S	*	*			trans	-69.3	108.2	-173	0	0	0	0	0	111	T1329 H1333	T1329-G1331 PolarHBondContact O-N 3.14Å; G1331-H1333 PolarHBondContact O-N 2.98Å
1332	S	33.5	Very low	56.2	Low	101 Å²	101	99.5 Å²	99.5	71%	0.706	60%	0.603	S	S	*	*			trans	-71.8	57.8	170.7	-178.2	0	0	0	0	111.4	G1330 N1334	G1330-S1332 PolarHBondContact O-N 3.44Å; G1330-S1332 VanDerWaalsContact O-N 3.1Å; S1332-N1334 PolarHBondContact O-N 3.47Å
1333	H	38.4	Very low	53.8	Low	180 Å²	180	99.5 Å²	99.5	83%	0.833	61%	0.607	S	S	*	*			trans	-71.8	72.8	162.2	-96.5	-69.9	0	0	0	109.1	G1331	G1331-H1333 PolarHBondContact O-N 2.98Å
1334	N	32.3	Very low	51.1	Low	126 Å²	126	103.7 Å²	103.7	67%	0.674	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-58.3	131	153.6	-72.1	-28.9	0	0	0	107.1	S1332	S1332-N1334 PolarHBondContact O-N 3.47Å
1335	P	37.7	Very low	48.5	Very low	106 Å²	106	105.9 Å²	105.9	69%	0.688	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-60.5	156.3	163	28.8	-33.6	0	0	0	109.3
1336	P	34.8	Very low	45.7	Very low	111 Å²	111	102.4 Å²	102.4	72%	0.721	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-58.2	137.8	-180	24.6	-34.1	0	0	0	110.9	S1338	P1336-S1338 PolarHBondContact O-N 3.18Å
1337	P	32.7	Very low	43.1	Very low	139 Å²	139	107.4 Å²	107.4	90%	0.903	70%	0.698	S	S	*	*			trans	-77	92.3	-174.5	30.5	-35	0	0	0	111.3
1338	S	35.3	Very low	40.3	Very low	99 Å²	99	113.5 Å²	113.5	69%	0.692	72%	0.719	S	S	*	*			trans	-115.1	109.9	174.7	59.1	0	0	0	0	112.3	P1336	P1336-S1338 PolarHBondContact O-N 3.18Å
1339	S	36.2	Very low	38.3	Very low	109 Å²	109	117.4 Å²	117.4	76%	0.762	75%	0.748	S	S	*	*	S	Bend	trans	62.7	139.2	163.7	55.4	0	0	0	0	119.8
1340	S	36.4	Very low	36.2	Very low	109 Å²	109	120.6 Å²	120.6	76%	0.762	76%	0.755	S	S	*	*			trans	54.4	131.9	166.9	51.6	0	0	0	0	118.5
1341	S	32.5	Very low	35	Very low	99 Å²	99	124.1 Å²	124.1	69%	0.692	77%	0.767	S	S	*	*			cis	152.5	170.4	-12.1	47.1	0	0	0	0	105.5
1342	I	37.1	Very low	34.5	Very low	152 Å²	152	128.1 Å²	128.1	78%	0.779	78%	0.775	S	S	*	*			trans	72.9	87.3	-179	-46.5	168.3	0	0	0	111.7
1343	S	33.6	Very low	34.7	Very low	106 Å²	106	129.6 Å²	129.6	74%	0.741	78%	0.775	S	S	*	*				83.2	98.5	71.2	-66.5	0	0	0	0	114.9
1344	S	33.3	Very low	34.5	Very low	113 Å²	113	129.8 Å²	129.8	79%	0.79	78%	0.776	S	S	*	*				26.2	120.9	129	-46.2	0	0	0	0	120
1345	S	36.5	Very low	34.6	Very low	126 Å²	126	129 Å²	129	88%	0.881	78%	0.78	S	S	*	*				177.2	148.4	109	-75.1	0	0	0	0	110.9
1346	G	30.3	Very low	34.5	Very low	75 Å²	75	132.2 Å²	132.2	77%	0.773	79%	0.786	S	S	*	*			trans	-93	169.5	177.8	0	0	0	0	0	113.4
1347	L	35.3	Very low	34.3	Very low	161 Å²	161	133.5 Å²	133.5	84%	0.843	79%	0.792	S	S	*	*			trans	-138.5	124.7	169	-100.6	168	0	0	0	110.4
1348	F	28.5	Very low	34.6	Very low	209 Å²	209	133.1 Å²	133.1	92%	0.917	79%	0.787	S	S	*	*			trans	-82.4	142.6	153	-77.7	-109	0	0	0	107.7
1349	V	39.1	Very low	34.5	Very low	134 Å²	134	135.9 Å²	135.9	81%	0.812	79%	0.794	S	S	*	*			trans	-137	137	160.3	-177.4	0	0	0	0	107.2
1350	E	31.2	Very low	34.3	Very low	171 Å²	171	137.2 Å²	137.2	80%	0.799	79%	0.793	S	S	*	*			trans	-129.5	149.6	-174.7	-168.3	-179.6	-177.7	0	0	108.8
1351	V	34.5	Very low	34	Very low	122 Å²	122	142 Å²	142	74%	0.739	80%	0.8	S	S	*	*			trans	57	146.7	177.8	-81.7	0	0	0	0	116.9
1352	N	35.1	Very low	33.9	Very low	142 Å²	142	146.1 Å²	146.1	76%	0.759	81%	0.808	S	S	*	*			cis	-153.6	172.4	30.9	-136.6	-1.5	0	0	0	114.4
1353	D	38	Very low	33.6	Very low	133 Å²	133	145 Å²	145	71%	0.711	81%	0.809	S	S	*	*			trans	-57	130.6	-175.7	-72.3	-61.3	0	0	0	117.4
1354	Q	34.9	Very low	33.5	Very low	183 Å²	183	149.4 Å²	149.4	86%	0.855	82%	0.815	S	S	*	*				175.2	159.1	111.6	-97.2	152	103	0	0	115.1
1355	S	33.7	Very low	33.5	Very low	109 Å²	109	149.9 Å²	149.9	76%	0.762	81%	0.808	S	S	*	*			trans	69.8	113.3	168.2	58	0	0	0	0	121.2
1356	E	35.7	Very low	33.2	Very low	174 Å²	174	148.8 Å²	148.8	81%	0.813	80%	0.8	S	S	*	*			trans	62.6	97.8	131	-59.4	-175	167.9	0	0	121.9
1357	T	31.2	Very low	33.6	Very low	138 Å²	138	152.9 Å²	152.9	85%	0.847	80%	0.804	S	S	*	*			trans	50.8	90.7	136.6	57.4	0	0	0	0	119.8
1358	V	38	Very low	34.5	Very low	131 Å²	131	149 Å²	149	79%	0.794	78%	0.782	S	S	*	*			trans	-137.6	130.7	148.9	-176.7	0	0	0	0	108.5
1359	D	34.2	Very low	35.9	Very low	158 Å²	158	140.7 Å²	140.7	85%	0.845	75%	0.75	S	S	*	*			trans	-74.7	134.7	-175.1	-80.7	-57.9	0	0	0	113.9
1360	N	30.1	Very low	37.5	Very low	137 Å²	137	139.9 Å²	139.9	73%	0.733	74%	0.74	S	S	*	*			trans	-95.3	98	-168.8	-87	-73.9	0	0	0	113.5
1361	F	30.1	Very low	40.2	Very low	208 Å²	208	131.9 Å²	131.9	91%	0.912	70%	0.703	S	S	*	*			trans	-139.6	43.8	166.2	-75.9	-66.4	0	0	0	115
1362	Q	32.2	Very low	43	Very low	186 Å²	186	127.6 Å²	127.6	87%	0.869	68%	0.677	S	S	*	*			trans	-138.1	51.2	171.5	-158.4	161	10.4	0	0	115.2
1363	T	30.8	Very low	45.8	Very low	130 Å²	130	120.8 Å²	120.8	80%	0.798	64%	0.641	S	S	*	*	S	Bend	trans	-138	154.2	164.2	54	0	0	0	0	112.5
1364	K	30	Very low	48.4	Very low	197 Å²	197	115.3 Å²	115.3	86%	0.857	62%	0.616	S	S	*	*	S	Bend	trans	67.5	44.3	174.5	-66	-171.6	174.1	179	0	119.1
1365	L	34.3	Very low	51.1	Low	124 Å²	124	109.7 Å²	109.7	65%	0.649	59%	0.59	S	S	*	*			trans	-124.5	46.3	154.4	-81.5	170.5	0	0	0	112.7	Q1368	L1365-Q1368 PolarHBondContact O-N 3.02Å
1366	S	29.7	Very low	53.9	Low	102 Å²	102	104.5 Å²	104.5	71%	0.713	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	139.6	165.4	49	0	0	0	0	110.9
1367	N	39.8	Very low	56.6	Low	162 Å²	162	99.3 Å²	99.3	87%	0.866	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	-0.2	-177.1	-49.4	-14.1	0	0	0	116.7
1368	Q	52.4	Low	59.3	Low	78 Å²	78	100 Å²	100	36%	0.364	52%	0.522	S	S	.	.	S	Bend	trans	-77.6	129.5	161.6	-71.3	-173.5	-23	0	0	109.5	L1365 L1370	L1365-Q1368 PolarHBondContact O-N 3.02Å; Q1368-L1370 PolarHBondContact O-N 3.22Å
1369	S	58.1	Low	61.6	Low	35 Å²	35	95.9 Å²	95.9	25%	0.245	50%	0.495	C	S	.	.			trans	-73.1	119.8	-177.1	46.7	0	0	0	0	111	L1311 L1371	L1311-S1369 WeakPolarHBondContact CB-OG 3.48Å; L1311-S1369 WeakPolarHBondContact CD2-O 3.39Å; S1369-L1371 VanDerWaalsContact C-N 3.26Å; S1369-L1371 PolarHBondContact O-N 3.38Å
1370	L	73.4	Confident	64.1	Low	117 Å²	117	89.4 Å²	89.4	61%	0.613	46%	0.46	S	S	*	.			trans	-73.5	79.6	178.5	-69.6	85.5	0	0	0	110	Q1368 T1372 Q1375 I1412	Q1368-L1370 PolarHBondContact O-N 3.22Å; L1370-T1372 PolarHBondContact O-N 3.23Å; L1370-Q1375 PolarHBondContact O-OE1 3.09Å; L1370-I1412 HydrophobicContact CB-CG2 4.29Å; L1370-I1412 HydrophobicContact CD2-CD1 3.82Å; L1370-I1412 HydrophobicContact CD2-CG1 4.21Å; L1370-I1412 HydrophobicContact CD2-CG2 4.46Å; L1370-I1412 HydrophobicContact CG-CG2 4.42Å
1371	L	87.9	Confident	66.5	Low	3 Å²	3	86.5 Å²	86.5	2%	0.016	46%	0.455	C	S	.	.			trans	-68	127.6	171.5	-173.3	65.3	0	0	0	109.1	L1311 V1313 W1328 S1369 Q1375 F1376 L1413 V1420	L1311-L1371 HydrophobicContact CD2-CB 3.93Å; L1311-L1371 HydrophobicContact CD2-CD2 4.45Å; V1313-L1371 HydrophobicContact CG1-CD2 4.44Å; V1313-L1371 HydrophobicContact CG2-CD2 3.53Å; W1328-L1371 HydrophobicContact CD2-CD1 3.59Å; W1328-L1371 VanDerWaalsContact CE2-CD1 3.46Å; W1328-L1371 HydrophobicContact CE3-CD1 3.96Å; W1328-L1371 HydrophobicContact CG-CD1 4.01Å; W1328-L1371 HydrophobicContact CH2-CD1 4.08Å; W1328-L1371 HydrophobicContact CZ2-CD1 3.74Å; W1328-L1371 HydrophobicContact CZ3-CD1 4.18Å; S1369-L1371 VanDerWaalsContact C-N 3.26Å; S1369-L1371 PolarHBondContact O-N 3.38Å; L1371-Q1375 HydrophobicContact CD1-CB 3.53Å; L1371-F1376 HydrophobicContact CD2-CB 4.39Å; L1371-L1413 HydrophobicContact CB-CD1 4.3Å; L1371-L1413 HydrophobicContact CD2-CD1 3.8Å; L1371-L1413 HydrophobicContact CG-CD1 3.75Å; L1371-L1413 WeakPolarHBondContact O-CG 3.28Å; L1371-L1413 PolarHBondContact O-N 3.22Å; L1371-V1420 HydrophobicContact CD2-CG2 4.36Å
1372	T	93.8	Very high	69	Low	32 Å²	32	80.4 Å²	80.4	20%	0.196	43%	0.428	C	S	.	.	B	Isolated β-bridge	trans	-98.6	162.1	175.2	67	0	0	0	0	112.2	L1370 G1374 Q1375 F1376 D1409 A1411	L1370-T1372 PolarHBondContact O-N 3.23Å; T1372-G1374 VanDerWaalsContact C-N 3.26Å; T1372-G1374 PolarHBondContact O-N 3.07Å; T1372-Q1375 PolarHBondContact O-N 2.93Å; T1372-Q1375 VanDerWaalsContact O-N 3.1Å; T1372-Q1375 WeakPolarHBondContact OG1-CG 3.39Å; T1372-Q1375 PolarHBondContact OG1-N 2.98Å; T1372-F1376 PolarHBondContact O-N 3.19Å; T1372-D1409 WeakPolarHBondContact CB-O 3.4Å; T1372-A1411 CarbonylContact C-O 3.04Å; T1372-A1411 VanDerWaalsContact CA-O 3.26Å; T1372-A1411 WeakPolarHBondContact CA-O 3.35Å
1373	L	93.7	Very high	71.4	Confident	0 Å²	0	81.7 Å²	81.7	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-55.8	-41.4	173.8	179.1	65.7	0	0	0	112.3	Q1375 F1376 K1377 Y1388 F1390 L1406 N1408 A1411 L1413	L1373-Q1375 VanDerWaalsContact C-N 3.29Å; L1373-Q1375 PolarHBondContact O-N 3.38Å; L1373-F1376 HydrophobicContact CD1-CD1 4.4Å; L1373-F1376 PolarHBondContact O-N 3.21Å; L1373-K1377 HydrophobicContact CD1-CG 4.43Å; L1373-K1377 HydrophobicContact CG-CD 4.19Å; L1373-K1377 HydrophobicContact CG-CG 4.49Å; L1373-K1377 WeakPolarHBondContact O-CB 3.38Å; L1373-K1377 WeakPolarHBondContact O-CG 3.02Å; L1373-K1377 PolarHBondContact O-N 3.25Å; L1373-Y1388 HydrophobicContact CD1-CD1 4.2Å; L1373-Y1388 HydrophobicContact CD1-CD2 3.96Å; L1373-Y1388 HydrophobicContact CD1-CG 3.72Å; L1373-Y1388 HydrophobicContact CD2-CD2 4.42Å; L1373-F1390 HydrophobicContact CD1-CE2 3.86Å; L1373-F1390 HydrophobicContact CD1-CZ 3.87Å; L1373-L1406 HydrophobicContact CD2-CB 4.15Å; L1373-L1406 WeakPolarHBondContact CD2-O 3.17Å; L1373-N1408 WeakPolarHBondContact CD2-O 3.38Å; L1373-A1411 PolarHBondContact N-O 3Å; L1373-L1413 HydrophobicContact CB-CD2 4.06Å; L1373-L1413 HydrophobicContact CD1-CD2 4.44Å
1374	G	91.9	Very high	74	Confident	18 Å²	18	77.9 Å²	77.9	19%	0.186	42%	0.417	C	S	.	.	H	α-helix	trans	-65.3	-28.4	177.7	0	0	0	0	0	113.8	T1372 Q1378 D1409	T1372-G1374 VanDerWaalsContact C-N 3.26Å; T1372-G1374 PolarHBondContact O-N 3.07Å; G1374-Q1378 PolarHBondContact O-NE2 3.34Å; G1374-D1409 PolarHBondContact N-O 3.13Å
1375	Q	91.6	Very high	76.8	Confident	65 Å²	65	73.8 Å²	73.8	30%	0.304	41%	0.408	S	S	.	.	H	α-helix	trans	-78.5	-44	171.6	-71.1	167.7	-21.6	0	0	111.4	W1328 L1370 L1371 T1372 L1373 K1377 Q1378	W1328-Q1375 HydrophobicContact CH2-CB 3.92Å; W1328-Q1375 HydrophobicContact CH2-CG 4.25Å; W1328-Q1375 HydrophobicContact CZ2-CB 4.11Å; W1328-Q1375 HydrophobicContact CZ2-CG 4.21Å; L1370-Q1375 PolarHBondContact O-OE1 3.09Å; L1371-Q1375 HydrophobicContact CD1-CB 3.53Å; T1372-Q1375 PolarHBondContact O-N 2.93Å; T1372-Q1375 VanDerWaalsContact O-N 3.1Å; T1372-Q1375 WeakPolarHBondContact OG1-CG 3.39Å; T1372-Q1375 PolarHBondContact OG1-N 2.98Å; L1373-Q1375 VanDerWaalsContact C-N 3.29Å; L1373-Q1375 PolarHBondContact O-N 3.38Å; Q1375-K1377 VanDerWaalsContact C-N 3.32Å; Q1375-K1377 PolarHBondContact O-N 2.76Å; Q1375-Q1378 WeakPolarHBondContact O-CB 3.44Å; Q1375-Q1378 PolarHBondContact O-N 3.26Å
1376	F	92.9	Very high	79.6	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-61.4	-37.6	176.5	170.4	-89.2	0	0	0	112.9	V1313 Y1315 L1371 T1372 L1373 Q1378 L1379 I1380 Y1388 F1390 L1413 A1422 V1424	V1313-F1376 HydrophobicContact CG1-CD2 3.71Å; V1313-F1376 HydrophobicContact CG1-CE2 3.73Å; Y1315-F1376 AromaticContact CD1-CE2 3.81Å; Y1315-F1376 HydrophobicContact CD1-CE2 3.81Å; Y1315-F1376 AromaticContact CD1-CZ 3.99Å; Y1315-F1376 HydrophobicContact CD1-CZ 3.99Å; Y1315-F1376 HydrophobicContact CG-CE2 4.14Å; Y1315-F1376 AromaticContact CG-CZ 3.91Å; Y1315-F1376 HydrophobicContact CG-CZ 3.91Å; L1371-F1376 HydrophobicContact CD2-CB 4.39Å; T1372-F1376 PolarHBondContact O-N 3.19Å; L1373-F1376 HydrophobicContact CD1-CD1 4.4Å; L1373-F1376 PolarHBondContact O-N 3.21Å; F1376-Q1378 PolarHBondContact O-N 3.19Å; F1376-Q1378 VanDerWaalsContact O-N 3.12Å; F1376-L1379 WeakPolarHBondContact O-CB 3.39Å; F1376-L1379 PolarHBondContact O-N 3.17Å; F1376-I1380 HydrophobicContact CD1-CD1 4.13Å; F1376-I1380 HydrophobicContact CE1-CD1 3.75Å; F1376-I1380 HydrophobicContact CE1-CG1 4.19Å; F1376-Y1388 HydrophobicContact CD1-CD1 4.45Å; F1376-Y1388 HydrophobicContact CE1-CD1 4.02Å; F1376-F1390 HydrophobicContact CD1-CE1 4.2Å; F1376-F1390 AromaticContact CD1-CZ 3.83Å; F1376-F1390 HydrophobicContact CD1-CZ 3.83Å; F1376-F1390 HydrophobicContact CD2-CE1 4.27Å; F1376-F1390 HydrophobicContact CE1-CE1 4.17Å; F1376-F1390 AromaticContact CE1-CZ 3.9Å; F1376-F1390 HydrophobicContact CE1-CZ 3.9Å; F1376-F1390 HydrophobicContact CE2-CE1 4.24Å; F1376-F1390 HydrophobicContact CG-CE1 4.26Å; F1376-F1390 HydrophobicContact CG-CZ 4.24Å; F1376-F1390 HydrophobicContact CZ-CE1 4.2Å; F1376-F1390 HydrophobicContact CZ-CZ 4.38Å; F1376-L1413 HydrophobicContact CB-CD1 3.51Å; F1376-L1413 HydrophobicContact CD2-CD1 4.19Å; F1376-L1413 HydrophobicContact CG-CD1 3.97Å; F1376-A1422 HydrophobicContact CE1-CB 4.44Å; F1376-A1422 HydrophobicContact CE2-CB 4.02Å; F1376-A1422 HydrophobicContact CZ-CB 3.66Å; F1376-V1424 HydrophobicContact CE1-CG2 3.88Å; F1376-V1424 HydrophobicContact CZ-CG2 3.87Å
1377	K	92	Very high	82.7	Confident	64 Å²	64	68.8 Å²	68.8	28%	0.278	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-56	-25.9	172.8	-80.1	170.3	176.2	174	0	113.5	L1373 Q1375 Y1388 D1409	L1373-K1377 HydrophobicContact CD1-CG 4.43Å; L1373-K1377 HydrophobicContact CG-CD 4.19Å; L1373-K1377 HydrophobicContact CG-CG 4.49Å; L1373-K1377 WeakPolarHBondContact O-CB 3.38Å; L1373-K1377 WeakPolarHBondContact O-CG 3.02Å; L1373-K1377 PolarHBondContact O-N 3.25Å; Q1375-K1377 VanDerWaalsContact C-N 3.32Å; Q1375-K1377 PolarHBondContact O-N 2.76Å; K1377-Y1388 HydrophobicContact CD-CE2 4.37Å; K1377-Y1388 VanDerWaalsContact CE-CZ 3.43Å; K1377-Y1388 HydrophobicContact CG-CE1 4.06Å; K1377-Y1388 HydrophobicContact CG-CE2 4.42Å; K1377-D1409 WeakPolarHBondContact CD-OD1 3.26Å; K1377-D1409 WeakPolarHBondContact CE-OD1 3.34Å; K1377-D1409 IonicContact NZ-OD1 3.2Å; K1377-D1409 PolarHBondContact NZ-OD1 3.28Å; K1377-D1409 IonicContact NZ-OD2 2.72Å
1378	Q	88.5	Confident	85.3	Confident	154 Å²	154	62.2 Å²	62.2	72%	0.72	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-80	-15.9	176.4	-60.3	166.8	53.4	0	0	113	G1374 Q1375 F1376	G1374-Q1378 PolarHBondContact O-NE2 3.34Å; Q1375-Q1378 WeakPolarHBondContact O-CB 3.44Å; Q1375-Q1378 PolarHBondContact O-N 3.26Å; F1376-Q1378 PolarHBondContact O-N 3.19Å; F1376-Q1378 VanDerWaalsContact O-N 3.12Å
1379	L	86.2	Confident	87.4	Confident	44 Å²	44	60.1 Å²	60.1	23%	0.23	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-87.6	-2.7	177	-60.3	173.1	0	0	0	113.5	V1313 Y1315 T1326 W1328 F1376	V1313-L1379 HydrophobicContact CG1-CD1 4.33Å; Y1315-L1379 PolarHBondContact OH-O 3.21Å; T1326-L1379 HydrophobicContact CG2-CD1 4.02Å; T1326-L1379 HydrophobicContact CG2-CD2 4.36Å; W1328-L1379 HydrophobicContact CE3-CD1 3.79Å; W1328-L1379 HydrophobicContact CE3-CD2 3.91Å; W1328-L1379 HydrophobicContact CE3-CG 4.21Å; W1328-L1379 HydrophobicContact CZ3-CD1 4.12Å; W1328-L1379 HydrophobicContact CZ3-CD2 3.85Å; W1328-L1379 HydrophobicContact CZ3-CG 4.11Å; F1376-L1379 WeakPolarHBondContact O-CB 3.39Å; F1376-L1379 PolarHBondContact O-N 3.17Å
1380	I	86.3	Confident	89.1	Confident	21 Å²	21	58.4 Å²	58.4	11%	0.108	31%	0.307	C	S	.	.			trans	-87.2	117.8	-172.6	-54.1	-179.5	0	0	0	110.3	Y1315 L1317 F1376 K1382 Y1386 Y1388 V1424	Y1315-I1380 HydrophobicContact CE2-CG2 4.46Å; Y1315-I1380 WeakPolarHBondContact OH-CA 3.4Å; L1317-I1380 HydrophobicContact CD1-CG2 4.05Å; L1317-I1380 HydrophobicContact CD2-CG2 4.37Å; F1376-I1380 HydrophobicContact CD1-CD1 4.13Å; F1376-I1380 HydrophobicContact CE1-CD1 3.75Å; F1376-I1380 HydrophobicContact CE1-CG1 4.19Å; I1380-K1382 WeakPolarHBondContact CG2-O 3.33Å; I1380-K1382 PolarHBondContact O-N 3.45Å; I1380-Y1386 HydrophobicContact CG2-CE2 4.5Å; I1380-Y1388 HydrophobicContact CD1-CD1 4.23Å; I1380-Y1388 HydrophobicContact CD1-CE1 3.52Å; I1380-V1424 HydrophobicContact CD1-CG1 4.3Å; I1380-V1424 HydrophobicContact CD1-CG2 4.44Å
1381	A	80.3	Confident	90.1	Very high	76 Å²	76	55.7 Å²	55.7	63%	0.628	29%	0.29	S	S	*	.	S	Bend	trans	-68.3	-17.1	-172.4	0	0	0	0	0	115	Y1315 Y1324	Y1315-A1381 PolarHBondContact OH-N 3.11Å; Y1324-A1381 HydrophobicContact CE1-CB 4.25Å
1382	K	82.8	Confident	90.3	Very high	80 Å²	80	59.2 Å²	59.2	35%	0.348	31%	0.305	S	S	.	.	S	Bend	trans	-116.6	131.6	178.8	-55.9	177.5	-168	165.1	0	108.8	L1317 D1320 Y1324 I1380 Y1386	L1317-K1382 HydrophobicContact CD2-CB 4.08Å; L1317-K1382 HydrophobicContact CD2-CD 3.54Å; L1317-K1382 HydrophobicContact CD2-CG 3.74Å; L1317-K1382 HydrophobicContact CG-CD 4.29Å; D1320-K1382 IonicContact OD1-NZ 2.69Å; D1320-K1382 PolarHBondContact OD1-NZ 3.28Å; D1320-K1382 IonicContact OD2-NZ 2.64Å; D1320-K1382 PolarHBondContact OD2-NZ 2.92Å; Y1324-K1382 WeakPolarHBondContact OH-CE 3.16Å; I1380-K1382 WeakPolarHBondContact CG2-O 3.33Å; I1380-K1382 PolarHBondContact O-N 3.45Å; K1382-Y1386 WeakPolarHBondContact CB-OH 3.48Å; K1382-Y1386 WeakPolarHBondContact O-CE2 3.49Å; K1382-Y1386 PolarHBondContact O-OH 3.29Å
1383	K	83.5	Confident	90	Very high	214 Å²	214	61.5 Å²	61.5	93%	0.93	32%	0.321	S	S	*	.			trans	-81.8	140	171.6	-67.3	-175.9	178.9	-178.7	0	109.8
1384	G	84.9	Confident	89.7	Confident	49 Å²	49	64 Å²	64	51%	0.505	33%	0.334	S	S	.	.	S	Bend	trans	172.7	178.5	179.4	0	0	0	0	0	111.6	Y1386	G1384-Y1386 WeakPolarHBondContact O-CD2 3.41Å
1385	V	89.5	Confident	89.4	Confident	112 Å²	112	69.2 Å²	69.2	68%	0.679	36%	0.358	S	S	*	.			trans	-91.8	129.6	168.3	-161	0	0	0	0	107.8	A1427	V1385-A1427 HydrophobicContact CB-CB 4.21Å; V1385-A1427 HydrophobicContact CG1-CB 3.79Å; V1385-A1427 PolarHBondContact O-N 3.41Å
1386	Y	93.3	Very high	89.1	Confident	30 Å²	30	73 Å²	73	12%	0.118	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	152.5	-173	-56.9	-73.7	0	0	0	111.8	L1317 I1380 K1382 G1384 Y1388 V1424 E1425 R1426	L1317-Y1386 HydrophobicContact CD1-CE1 4.12Å; I1380-Y1386 HydrophobicContact CG2-CE2 4.5Å; K1382-Y1386 WeakPolarHBondContact CB-OH 3.48Å; K1382-Y1386 WeakPolarHBondContact O-CE2 3.49Å; K1382-Y1386 PolarHBondContact O-OH 3.29Å; G1384-Y1386 WeakPolarHBondContact O-CD2 3.41Å; Y1386-Y1388 WeakPolarHBondContact O-CE2 3.4Å; Y1386-V1424 HydrophobicContact CD1-CG1 3.87Å; Y1386-V1424 HydrophobicContact CD2-CG1 4.21Å; Y1386-V1424 HydrophobicContact CG-CG1 3.65Å; Y1386-E1425 CarbonylContact C-O 3.47Å; Y1386-E1425 WeakPolarHBondContact CA-O 3.32Å; Y1386-E1425 WeakPolarHBondContact CB-O 3.48Å; Y1386-E1425 WeakPolarHBondContact CD1-O 3.17Å; Y1386-R1426 HydrophobicContact CD1-CG 4.25Å; Y1386-R1426 HydrophobicContact CE1-CG 4.09Å
1387	R	93.9	Very high	88.5	Confident	90 Å²	90	79.4 Å²	79.4	34%	0.34	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	146.1	162.2	-63.1	-172.2	-62.7	-107.5	-1.2	109.4	F1389 E1405 V1424 E1425 A1427	R1387-F1389 HydrophobicContact CB-CD2 4.46Å; R1387-F1389 HydrophobicContact CB-CE2 3.6Å; R1387-F1389 HydrophobicContact CB-CZ 3.92Å; R1387-E1405 WeakPolarHBondContact CD-OE1 3.5Å; R1387-V1424 WeakPolarHBondContact O-CA 3.34Å; R1387-E1425 IonicContact CZ-OE2 3.11Å; R1387-E1425 PolarHBondContact N-O 3.07Å; R1387-E1425 IonicContact NE-OE2 3.28Å; R1387-E1425 PolarHBondContact NE-OE2 2.87Å; R1387-E1425 IonicContact NH2-OE2 3.22Å; R1387-E1425 PolarHBondContact NH2-OE2 3.28Å; R1387-E1425 PolarHBondContact O-N 3.13Å; R1387-A1427 HydrophobicContact CG-CB 4.41Å
1388	Y	95.1	Very high	87.8	Confident	24 Å²	24	79.8 Å²	79.8	9%	0.094	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	108	-170.8	-50	-87.6	0	0	0	111.2	L1373 F1376 K1377 I1380 Y1386 E1405 L1406 V1424	L1373-Y1388 HydrophobicContact CD1-CD1 4.2Å; L1373-Y1388 HydrophobicContact CD1-CD2 3.96Å; L1373-Y1388 HydrophobicContact CD1-CG 3.72Å; L1373-Y1388 HydrophobicContact CD2-CD2 4.42Å; F1376-Y1388 HydrophobicContact CD1-CD1 4.45Å; F1376-Y1388 HydrophobicContact CE1-CD1 4.02Å; K1377-Y1388 HydrophobicContact CD-CE2 4.37Å; K1377-Y1388 VanDerWaalsContact CE-CZ 3.43Å; K1377-Y1388 HydrophobicContact CG-CE1 4.06Å; K1377-Y1388 HydrophobicContact CG-CE2 4.42Å; I1380-Y1388 HydrophobicContact CD1-CD1 4.23Å; I1380-Y1388 HydrophobicContact CD1-CE1 3.52Å; Y1386-Y1388 WeakPolarHBondContact O-CE2 3.4Å; Y1388-E1405 WeakPolarHBondContact O-CA 3.44Å; Y1388-L1406 PolarHBondContact O-N 3Å; Y1388-V1424 HydrophobicContact CD1-CG1 3.95Å; Y1388-V1424 HydrophobicContact CD1-CG2 4.12Å; Y1388-V1424 HydrophobicContact CE1-CG1 3.85Å
1389	F	95	Very high	87.4	Confident	34 Å²	34	76.5 Å²	76.5	15%	0.149	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.7	-178.2	-56.2	-85.5	0	0	0	110.6	R1387 H1403 E1404 E1405 A1422 R1423 E1425	R1387-F1389 HydrophobicContact CB-CD2 4.46Å; R1387-F1389 HydrophobicContact CB-CE2 3.6Å; R1387-F1389 HydrophobicContact CB-CZ 3.92Å; F1389-H1403 HydrophobicContact CB-CB 4.32Å; F1389-E1404 CarbonylContact C-O 3.15Å; F1389-E1404 WeakPolarHBondContact CA-O 3.42Å; F1389-E1405 HydrophobicContact CD1-CB 3.69Å; F1389-E1405 HydrophobicContact CD1-CG 3.95Å; F1389-E1405 HydrophobicContact CE1-CB 3.64Å; F1389-E1405 HydrophobicContact CE1-CG 3.64Å; F1389-E1405 VanDerWaalsContact CE1-OE2 3.29Å; F1389-E1405 WeakPolarHBondContact CE1-OE2 3.5Å; F1389-E1405 HydrophobicContact CZ-CG 4.16Å; F1389-A1422 CarbonylContact O-C 3.54Å; F1389-A1422 VanDerWaalsContact O-CA 3.27Å; F1389-A1422 WeakPolarHBondContact O-CA 3.31Å; F1389-R1423 HydrophobicContact CB-CB 4.46Å; F1389-R1423 PolarHBondContact N-O 3Å; F1389-R1423 PolarHBondContact O-N 3.41Å; F1389-E1425 HydrophobicContact CD2-CG 4.18Å; F1389-E1425 HydrophobicContact CE2-CB 4.23Å; F1389-E1425 HydrophobicContact CE2-CG 3.9Å; F1389-E1425 VanDerWaalsContact CE2-OE2 3.3Å; F1389-E1425 WeakPolarHBondContact CE2-OE2 3.08Å
1390	F	95.5	Very high	87.3	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.7	-176.6	-63.6	-89.9	0	0	0	111.3	L1373 F1376 K1392 H1403 E1404 L1406 L1413 P1414 V1420 A1422	L1373-F1390 HydrophobicContact CD1-CE2 3.86Å; L1373-F1390 HydrophobicContact CD1-CZ 3.87Å; F1376-F1390 HydrophobicContact CD1-CE1 4.2Å; F1376-F1390 AromaticContact CD1-CZ 3.83Å; F1376-F1390 HydrophobicContact CD1-CZ 3.83Å; F1376-F1390 HydrophobicContact CD2-CE1 4.27Å; F1376-F1390 HydrophobicContact CE1-CE1 4.17Å; F1376-F1390 AromaticContact CE1-CZ 3.9Å; F1376-F1390 HydrophobicContact CE1-CZ 3.9Å; F1376-F1390 HydrophobicContact CE2-CE1 4.24Å; F1376-F1390 HydrophobicContact CG-CE1 4.26Å; F1376-F1390 HydrophobicContact CG-CZ 4.24Å; F1376-F1390 HydrophobicContact CZ-CE1 4.2Å; F1376-F1390 HydrophobicContact CZ-CZ 4.38Å; F1390-K1392 PolarHBondContact O-N 3.35Å; F1390-H1403 CarbonylContact O-C 3.49Å; F1390-H1403 WeakPolarHBondContact O-CA 3.34Å; F1390-E1404 PolarHBondContact N-O 3.04Å; F1390-E1404 PolarHBondContact O-N 3.03Å; F1390-L1406 HydrophobicContact CD2-CB 4.08Å; F1390-L1406 HydrophobicContact CD2-CD1 3.72Å; F1390-L1406 HydrophobicContact CD2-CG 3.9Å; F1390-L1406 HydrophobicContact CE2-CB 4.02Å; F1390-L1406 HydrophobicContact CE2-CD1 4.05Å; F1390-L1406 HydrophobicContact CE2-CG 4.31Å; F1390-L1406 HydrophobicContact CG-CD1 4.41Å; F1390-L1413 HydrophobicContact CD1-CB 4.36Å; F1390-L1413 HydrophobicContact CD1-CD1 4.41Å; F1390-L1413 HydrophobicContact CD1-CD2 4.02Å; F1390-L1413 HydrophobicContact CD1-CG 4.49Å; F1390-L1413 HydrophobicContact CD2-CD2 4.06Å; F1390-L1413 HydrophobicContact CE1-CB 4.46Å; F1390-L1413 HydrophobicContact CE1-CD1 3.74Å; F1390-L1413 HydrophobicContact CE1-CD2 3.61Å; F1390-L1413 HydrophobicContact CE1-CG 4.13Å; F1390-L1413 HydrophobicContact CE2-CD2 3.65Å; F1390-L1413 HydrophobicContact CG-CD2 4.24Å; F1390-L1413 HydrophobicContact CZ-CD1 4.14Å; F1390-L1413 HydrophobicContact CZ-CD2 3.41Å; F1390-L1413 VanDerWaalsContact CZ-CD2 3.41Å; F1390-L1413 HydrophobicContact CZ-CG 4.36Å; F1390-P1414 HydrophobicContact CB-CB 4.39Å; F1390-P1414 HydrophobicContact CB-CG 4.17Å; F1390-V1420 HydrophobicContact CD1-CG1 3.9Å; F1390-V1420 HydrophobicContact CE1-CG1 4.02Å; F1390-A1422 HydrophobicContact CD1-CB 3.58Å; F1390-A1422 HydrophobicContact CE1-CB 3.43Å; F1390-A1422 VanDerWaalsContact CE1-CB 3.43Å; F1390-A1422 HydrophobicContact CG-CB 4.42Å; F1390-A1422 HydrophobicContact CZ-CB 4.19Å
1391	K	94.1	Very high	87.5	Confident	60 Å²	60	76 Å²	76	26%	0.261	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	131.1	173.5	-74.2	-166.2	174.9	-166.7	0	110.7	V1401 V1402 W1416 V1421	K1391-V1401 HydrophobicContact CB-CG2 4.1Å; K1391-V1401 HydrophobicContact CD-CG2 4.16Å; K1391-V1401 HydrophobicContact CG-CG2 4.17Å; K1391-V1402 WeakPolarHBondContact CA-O 3.34Å; K1391-W1416 HydrophobicContact CB-CB 3.76Å; K1391-W1416 HydrophobicContact CB-CD2 4.4Å; K1391-W1416 HydrophobicContact CB-CG 4Å; K1391-W1416 HydrophobicContact CD-CD2 4.39Å; K1391-W1416 HydrophobicContact CD-CG 4.1Å; K1391-V1421 HydrophobicContact CB-CB 4.2Å; K1391-V1421 HydrophobicContact CD-CB 4.07Å; K1391-V1421 HydrophobicContact CD-CG1 3.79Å; K1391-V1421 HydrophobicContact CG-CB 4.22Å; K1391-V1421 HydrophobicContact CG-CG1 4.13Å; K1391-V1421 PolarHBondContact N-O 3.03Å
1392	K	91.1	Very high	88	Confident	76 Å²	76	73.8 Å²	73.8	33%	0.33	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	135.4	177.8	178.6	167.9	176.3	-179.4	0	109.5	F1390 N1394 V1401 V1402 E1404 P1414	F1390-K1392 PolarHBondContact O-N 3.35Å; K1392-N1394 PolarHBondContact O-N 3.17Å; K1392-V1401 WeakPolarHBondContact O-CA 3.13Å; K1392-V1402 HydrophobicContact CB-CG2 4.02Å; K1392-V1402 HydrophobicContact CG-CG2 4.46Å; K1392-V1402 PolarHBondContact N-O 2.93Å; K1392-V1402 PolarHBondContact O-N 3.31Å; K1392-E1404 HydrophobicContact CD-CB 4.41Å; K1392-E1404 WeakPolarHBondContact CD-OE2 3.27Å; K1392-E1404 WeakPolarHBondContact CE-OE2 3.42Å; K1392-E1404 IonicContact NZ-OE1 3.2Å; K1392-E1404 PolarHBondContact NZ-OE1 3.22Å; K1392-E1404 IonicContact NZ-OE2 2.68Å; K1392-E1404 PolarHBondContact NZ-OE2 3.17Å; K1392-P1414 HydrophobicContact CB-CB 3.78Å; K1392-P1414 HydrophobicContact CB-CG 4.28Å; K1392-P1414 HydrophobicContact CD-CB 4.24Å; K1392-P1414 HydrophobicContact CD-CG 4.09Å; K1392-P1414 HydrophobicContact CG-CB 4.16Å
1393	P	88.3	Confident	88.5	Confident	81 Å²	81	75 Å²	75	53%	0.526	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	125.8	170	27.7	-33.3	0	0	0	110.1	G1400 L1415 W1416	P1393-G1400 WeakPolarHBondContact CA-O 3.47Å; P1393-L1415 WeakPolarHBondContact CD-O 3.15Å; P1393-W1416 HydrophobicContact CB-CE3 4.33Å; P1393-W1416 HydrophobicContact CB-CZ3 4.05Å
1394	N	87	Confident	88.9	Confident	51 Å²	51	67.9 Å²	67.9	27%	0.273	38%	0.375	S	S	.	.			trans	-161.3	126.3	173.1	-176.5	9.3	0	0	0	108.9	K1392 E1396 G1400 V1401 V1402	K1392-N1394 PolarHBondContact O-N 3.17Å; N1394-E1396 PolarHBondContact ND2-OE2 3.34Å; N1394-E1396 WeakPolarHBondContact OD1-CB 3.43Å; N1394-E1396 PolarHBondContact OD1-N 3.48Å; N1394-G1400 PolarHBondContact N-O 3.25Å; N1394-G1400 CarbonylContact O-C 3.44Å; N1394-G1400 WeakPolarHBondContact O-CA 3.31Å; N1394-V1401 PolarHBondContact O-N 3Å; N1394-V1402 HydrophobicContact CB-CB 4.45Å; N1394-V1402 HydrophobicContact CB-CG1 3.96Å; N1394-V1402 HydrophobicContact CB-CG2 3.74Å
1395	D	86.4	Confident	89.3	Confident	129 Å²	129	69.9 Å²	69.9	69%	0.69	37%	0.371	S	S	*	.			trans	-93	-3.5	-179.5	-73.9	-61.4	0	0	0	113.8	F1397 G1398 G1400	D1395-F1397 PolarHBondContact O-N 3.43Å; D1395-G1398 PolarHBondContact O-N 2.75Å; D1395-G1400 VanDerWaalsContact OD1-CA 3.31Å; D1395-G1400 WeakPolarHBondContact OD1-CA 3.18Å
1396	E	84	Confident	89.5	Confident	143 Å²	143	65.5 Å²	65.5	67%	0.668	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	-33.8	-178.8	-179	-179.6	-171.2	0	0	114.6	N1394	N1394-E1396 PolarHBondContact ND2-OE2 3.34Å; N1394-E1396 WeakPolarHBondContact OD1-CB 3.43Å; N1394-E1396 PolarHBondContact OD1-N 3.48Å
1397	F	81.8	Confident	89.4	Confident	135 Å²	135	69.2 Å²	69.2	59%	0.592	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	7.6	-179.8	-57.3	-84.2	0	0	0	113.7	D1395 T1399 V1402	D1395-F1397 PolarHBondContact O-N 3.43Å; F1397-T1399 HydrophobicContact CB-CG2 4.31Å; F1397-T1399 PolarHBondContact O-N 3.31Å; F1397-V1402 HydrophobicContact CD2-CG1 3.52Å; F1397-V1402 HydrophobicContact CE2-CG1 3.78Å
1398	G	76.1	Confident	89.2	Confident	72 Å²	72	69.2 Å²	69.2	74%	0.742	38%	0.377	S	S	*	.	S	Bend	trans	67.5	9.1	-173.1	0	0	0	0	0	114.7	D1395	D1395-G1398 PolarHBondContact O-N 2.75Å
1399	T	80.4	Confident	89.1	Confident	86 Å²	86	71.7 Å²	71.7	53%	0.528	39%	0.391	S	S	.	.	S	Bend	trans	-96.2	-11.3	-176.4	53.6	0	0	0	0	114.1	F1397 V1401	F1397-T1399 HydrophobicContact CB-CG2 4.31Å; F1397-T1399 PolarHBondContact O-N 3.31Å; T1399-V1401 PolarHBondContact O-N 2.97Å; T1399-V1401 PolarHBondContact OG1-O 2.78Å
1400	G	84.5	Confident	88.9	Confident	20 Å²	20	76.3 Å²	76.3	21%	0.206	42%	0.418	C	S	.	.	S	Bend	trans	66.7	-13.2	-171.3	0	0	0	0	0	115.5	P1393 N1394 D1395 W1416	P1393-G1400 WeakPolarHBondContact CA-O 3.47Å; N1394-G1400 PolarHBondContact N-O 3.25Å; N1394-G1400 CarbonylContact O-C 3.44Å; N1394-G1400 WeakPolarHBondContact O-CA 3.31Å; D1395-G1400 VanDerWaalsContact OD1-CA 3.31Å; D1395-G1400 WeakPolarHBondContact OD1-CA 3.18Å; G1400-W1416 WeakPolarHBondContact O-CZ3 3.38Å
1401	V	89.5	Confident	88.6	Confident	34 Å²	34	77.3 Å²	77.3	21%	0.206	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	137.7	-177.2	67.6	0	0	0	0	111.7	K1391 K1392 N1394 T1399 W1416	K1391-V1401 HydrophobicContact CB-CG2 4.1Å; K1391-V1401 HydrophobicContact CD-CG2 4.16Å; K1391-V1401 HydrophobicContact CG-CG2 4.17Å; K1392-V1401 WeakPolarHBondContact O-CA 3.13Å; N1394-V1401 PolarHBondContact O-N 3Å; T1399-V1401 PolarHBondContact O-N 2.97Å; T1399-V1401 PolarHBondContact OG1-O 2.78Å; V1401-W1416 HydrophobicContact CB-CE3 4.11Å; V1401-W1416 HydrophobicContact CB-CH2 3.76Å; V1401-W1416 HydrophobicContact CB-CZ2 4.49Å; V1401-W1416 HydrophobicContact CB-CZ3 3.53Å; V1401-W1416 HydrophobicContact CG2-CD2 4.15Å; V1401-W1416 HydrophobicContact CG2-CE3 3.59Å; V1401-W1416 HydrophobicContact CG2-CH2 4.11Å; V1401-W1416 HydrophobicContact CG2-CZ3 3.57Å
1402	V	91.8	Very high	88.5	Confident	30 Å²	30	79.2 Å²	79.2	18%	0.182	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	165.2	167.4	-63.7	0	0	0	0	110.3	K1391 K1392 N1394 F1397	K1391-V1402 WeakPolarHBondContact CA-O 3.34Å; K1392-V1402 HydrophobicContact CB-CG2 4.02Å; K1392-V1402 HydrophobicContact CG-CG2 4.46Å; K1392-V1402 PolarHBondContact N-O 2.93Å; K1392-V1402 PolarHBondContact O-N 3.31Å; N1394-V1402 HydrophobicContact CB-CB 4.45Å; N1394-V1402 HydrophobicContact CB-CG1 3.96Å; N1394-V1402 HydrophobicContact CB-CG2 3.74Å; F1397-V1402 HydrophobicContact CD2-CG1 3.52Å; F1397-V1402 HydrophobicContact CE2-CG1 3.78Å
1403	H	91.9	Very high	88.6	Confident	104 Å²	104	76 Å²	76	48%	0.481	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	108.3	170.4	-64.4	78.2	0	0	0	108.3	F1389 F1390	F1389-H1403 HydrophobicContact CB-CB 4.32Å; F1390-H1403 CarbonylContact O-C 3.49Å; F1390-H1403 WeakPolarHBondContact O-CA 3.34Å
1404	E	92.4	Very high	88.7	Confident	66 Å²	66	72.9 Å²	72.9	31%	0.308	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	126.6	-179.8	-177.5	169.3	-141.7	0	0	109.9	F1389 F1390 K1392 L1406 P1414	F1389-E1404 CarbonylContact C-O 3.15Å; F1389-E1404 WeakPolarHBondContact CA-O 3.42Å; F1390-E1404 PolarHBondContact N-O 3.04Å; F1390-E1404 PolarHBondContact O-N 3.03Å; K1392-E1404 HydrophobicContact CD-CB 4.41Å; K1392-E1404 WeakPolarHBondContact CD-OE2 3.27Å; K1392-E1404 WeakPolarHBondContact CE-OE2 3.42Å; K1392-E1404 IonicContact NZ-OE1 3.2Å; K1392-E1404 PolarHBondContact NZ-OE1 3.22Å; K1392-E1404 IonicContact NZ-OE2 2.68Å; K1392-E1404 PolarHBondContact NZ-OE2 3.17Å; E1404-L1406 HydrophobicContact CG-CD2 4.11Å; E1404-P1414 VanDerWaalsContact OE2-CG 3.27Å; E1404-P1414 WeakPolarHBondContact OE2-CG 3.33Å
1405	E	94.3	Very high	88.9	Confident	90 Å²	90	72.9 Å²	72.9	42%	0.421	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	123.3	174.8	-168.8	172.9	175.1	0	0	110.4	R1387 Y1388 F1389	R1387-E1405 WeakPolarHBondContact CD-OE1 3.5Å; Y1388-E1405 WeakPolarHBondContact O-CA 3.44Å; F1389-E1405 HydrophobicContact CD1-CB 3.69Å; F1389-E1405 HydrophobicContact CD1-CG 3.95Å; F1389-E1405 HydrophobicContact CE1-CB 3.64Å; F1389-E1405 HydrophobicContact CE1-CG 3.64Å; F1389-E1405 VanDerWaalsContact CE1-OE2 3.29Å; F1389-E1405 WeakPolarHBondContact CE1-OE2 3.5Å; F1389-E1405 HydrophobicContact CZ-CG 4.16Å
1406	L	92.3	Very high	88.9	Confident	21 Å²	21	69.2 Å²	69.2	11%	0.11	38%	0.381	C	S	.	.			trans	-111.6	122.4	176	-63.5	-176.6	0	0	0	111.1	L1373 Y1388 F1390 E1404 A1411 L1413	L1373-L1406 HydrophobicContact CD2-CB 4.15Å; L1373-L1406 WeakPolarHBondContact CD2-O 3.17Å; Y1388-L1406 PolarHBondContact O-N 3Å; F1390-L1406 HydrophobicContact CD2-CB 4.08Å; F1390-L1406 HydrophobicContact CD2-CD1 3.72Å; F1390-L1406 HydrophobicContact CD2-CG 3.9Å; F1390-L1406 HydrophobicContact CE2-CB 4.02Å; F1390-L1406 HydrophobicContact CE2-CD1 4.05Å; F1390-L1406 HydrophobicContact CE2-CG 4.31Å; F1390-L1406 HydrophobicContact CG-CD1 4.41Å; E1404-L1406 HydrophobicContact CG-CD2 4.11Å; L1406-A1411 HydrophobicContact CB-CB 4.5Å; L1406-A1411 HydrophobicContact CD1-CB 4.04Å; L1406-A1411 HydrophobicContact CD2-CB 4.03Å; L1406-A1411 HydrophobicContact CG-CB 4.44Å; L1406-L1413 HydrophobicContact CD1-CD2 3.55Å
1407	T	91.6	Very high	89.1	Confident	108 Å²	108	68.3 Å²	68.3	66%	0.663	38%	0.376	S	S	*	.			trans	-106.9	-34.6	179.8	54.9	0	0	0	0	112.7
1408	N	89.9	Confident	89.3	Confident	90 Å²	90	63.8 Å²	63.8	48%	0.481	37%	0.368	S	S	.	.			trans	-79.7	122.7	-177.7	-179.4	-3.7	0	0	0	111.9	L1373 N1410 A1411	L1373-N1408 WeakPolarHBondContact CD2-O 3.38Å; N1408-N1410 PolarHBondContact O-N 3.27Å; N1408-N1410 VanDerWaalsContact O-N 3.11Å; N1408-N1410 PolarHBondContact OD1-N 3.47Å; N1408-N1410 PolarHBondContact OD1-ND2 2.92Å; N1408-A1411 HydrophobicContact CB-CB 4.47Å; N1408-A1411 VanDerWaalsContact O-CB 3.24Å; N1408-A1411 WeakPolarHBondContact O-CB 3.46Å; N1408-A1411 PolarHBondContact O-N 3.16Å
1409	D	92.2	Very high	90	Very high	75 Å²	75	63 Å²	63	40%	0.401	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-25.4	-179.8	-72.6	-42.3	0	0	0	114.5	T1372 G1374 K1377 A1411	T1372-D1409 WeakPolarHBondContact CB-O 3.4Å; G1374-D1409 PolarHBondContact N-O 3.13Å; K1377-D1409 WeakPolarHBondContact CD-OD1 3.26Å; K1377-D1409 WeakPolarHBondContact CE-OD1 3.34Å; K1377-D1409 IonicContact NZ-OD1 3.2Å; K1377-D1409 PolarHBondContact NZ-OD1 3.28Å; K1377-D1409 IonicContact NZ-OD2 2.72Å; D1409-A1411 VanDerWaalsContact C-N 3.34Å
1410	N	91.1	Very high	90.6	Very high	131 Å²	131	58.9 Å²	58.9	70%	0.701	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-4	179	-53.9	-65.9	0	0	0	113.2	N1408 I1412	N1408-N1410 PolarHBondContact O-N 3.27Å; N1408-N1410 VanDerWaalsContact O-N 3.11Å; N1408-N1410 PolarHBondContact OD1-N 3.47Å; N1408-N1410 PolarHBondContact OD1-ND2 2.92Å; N1410-I1412 PolarHBondContact O-N 3.33Å
1411	A	90.6	Very high	91	Very high	22 Å²	22	59.4 Å²	59.4	18%	0.182	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-67.2	129.6	176.8	0	0	0	0	0	110.6	T1372 L1373 L1406 N1408 D1409	T1372-A1411 CarbonylContact C-O 3.04Å; T1372-A1411 VanDerWaalsContact CA-O 3.26Å; T1372-A1411 WeakPolarHBondContact CA-O 3.35Å; L1373-A1411 PolarHBondContact N-O 3Å; L1406-A1411 HydrophobicContact CB-CB 4.5Å; L1406-A1411 HydrophobicContact CD1-CB 4.04Å; L1406-A1411 HydrophobicContact CD2-CB 4.03Å; L1406-A1411 HydrophobicContact CG-CB 4.44Å; N1408-A1411 HydrophobicContact CB-CB 4.47Å; N1408-A1411 VanDerWaalsContact O-CB 3.24Å; N1408-A1411 WeakPolarHBondContact O-CB 3.46Å; N1408-A1411 PolarHBondContact O-N 3.16Å; D1409-A1411 VanDerWaalsContact C-N 3.34Å
1412	I	91.3	Very high	91.2	Very high	99 Å²	99	57.9 Å²	57.9	51%	0.508	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-73.4	136.7	172.4	-57.7	151.9	0	0	0	107.8	L1370 N1410	L1370-I1412 HydrophobicContact CB-CG2 4.29Å; L1370-I1412 HydrophobicContact CD2-CD1 3.82Å; L1370-I1412 HydrophobicContact CD2-CG1 4.21Å; L1370-I1412 HydrophobicContact CD2-CG2 4.46Å; L1370-I1412 HydrophobicContact CG-CG2 4.42Å; N1410-I1412 PolarHBondContact O-N 3.33Å
1413	L	93.5	Very high	91.3	Very high	8 Å²	8	61.6 Å²	61.6	4%	0.042	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-80.2	131	-173.6	-58.9	-179.6	0	0	0	112	L1371 L1373 F1376 F1390 L1406 V1420	L1371-L1413 HydrophobicContact CB-CD1 4.3Å; L1371-L1413 HydrophobicContact CD2-CD1 3.8Å; L1371-L1413 HydrophobicContact CG-CD1 3.75Å; L1371-L1413 WeakPolarHBondContact O-CG 3.28Å; L1371-L1413 PolarHBondContact O-N 3.22Å; L1373-L1413 HydrophobicContact CB-CD2 4.06Å; L1373-L1413 HydrophobicContact CD1-CD2 4.44Å; F1376-L1413 HydrophobicContact CB-CD1 3.51Å; F1376-L1413 HydrophobicContact CD2-CD1 4.19Å; F1376-L1413 HydrophobicContact CG-CD1 3.97Å; F1390-L1413 HydrophobicContact CD1-CB 4.36Å; F1390-L1413 HydrophobicContact CD1-CD1 4.41Å; F1390-L1413 HydrophobicContact CD1-CD2 4.02Å; F1390-L1413 HydrophobicContact CD1-CG 4.49Å; F1390-L1413 HydrophobicContact CD2-CD2 4.06Å; F1390-L1413 HydrophobicContact CE1-CB 4.46Å; F1390-L1413 HydrophobicContact CE1-CD1 3.74Å; F1390-L1413 HydrophobicContact CE1-CD2 3.61Å; F1390-L1413 HydrophobicContact CE1-CG 4.13Å; F1390-L1413 HydrophobicContact CE2-CD2 3.65Å; F1390-L1413 HydrophobicContact CG-CD2 4.24Å; F1390-L1413 HydrophobicContact CZ-CD1 4.14Å; F1390-L1413 HydrophobicContact CZ-CD2 3.41Å; F1390-L1413 VanDerWaalsContact CZ-CD2 3.41Å; F1390-L1413 HydrophobicContact CZ-CG 4.36Å; L1406-L1413 HydrophobicContact CD1-CD2 3.55Å; L1413-V1420 HydrophobicContact CB-CG1 4.38Å; L1413-V1420 HydrophobicContact CB-CG2 4.25Å; L1413-V1420 HydrophobicContact CD1-CG1 4.09Å
1414	P	90.3	Very high	91.4	Very high	17 Å²	17	56.7 Å²	56.7	11%	0.11	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-54.2	139.5	171.1	-29.2	34.9	0	0	0	113	F1390 K1392 E1404	F1390-P1414 HydrophobicContact CB-CB 4.39Å; F1390-P1414 HydrophobicContact CB-CG 4.17Å; K1392-P1414 HydrophobicContact CB-CB 3.78Å; K1392-P1414 HydrophobicContact CB-CG 4.28Å; K1392-P1414 HydrophobicContact CD-CB 4.24Å; K1392-P1414 HydrophobicContact CD-CG 4.09Å; K1392-P1414 HydrophobicContact CG-CB 4.16Å; E1404-P1414 VanDerWaalsContact OE2-CG 3.27Å; E1404-P1414 WeakPolarHBondContact OE2-CG 3.33Å
1415	L	90.1	Very high	91.4	Very high	50 Å²	50	55.3 Å²	55.3	26%	0.262	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-100.1	128.2	174.7	-61.3	-179.4	0	0	0	109.9	L1311 P1393 V1420	L1311-L1415 HydrophobicContact CD1-CD2 3.76Å; L1311-L1415 HydrophobicContact CD2-CD2 4.27Å; P1393-L1415 WeakPolarHBondContact CD-O 3.15Å; L1415-V1420 HydrophobicContact CD2-CG2 3.65Å
1416	W	87.8	Confident	91.2	Very high	52 Å²	52	58.3 Å²	58.3	20%	0.197	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-110.3	118.1	170	177	-93.5	0	0	0	108.5	K1391 P1393 G1400 V1401 G1418 K1419 V1421	K1391-W1416 HydrophobicContact CB-CB 3.76Å; K1391-W1416 HydrophobicContact CB-CD2 4.4Å; K1391-W1416 HydrophobicContact CB-CG 4Å; K1391-W1416 HydrophobicContact CD-CD2 4.39Å; K1391-W1416 HydrophobicContact CD-CG 4.1Å; P1393-W1416 HydrophobicContact CB-CE3 4.33Å; P1393-W1416 HydrophobicContact CB-CZ3 4.05Å; G1400-W1416 WeakPolarHBondContact O-CZ3 3.38Å; V1401-W1416 HydrophobicContact CB-CE3 4.11Å; V1401-W1416 HydrophobicContact CB-CH2 3.76Å; V1401-W1416 HydrophobicContact CB-CZ2 4.49Å; V1401-W1416 HydrophobicContact CB-CZ3 3.53Å; V1401-W1416 HydrophobicContact CG2-CD2 4.15Å; V1401-W1416 HydrophobicContact CG2-CE3 3.59Å; V1401-W1416 HydrophobicContact CG2-CH2 4.11Å; V1401-W1416 HydrophobicContact CG2-CZ3 3.57Å; W1416-G1418 PolarHBondContact O-N 3Å; W1416-G1418 VanDerWaalsContact O-N 3.16Å; W1416-K1419 PolarHBondContact N-O 2.81Å; W1416-K1419 WeakPolarHBondContact O-CA 3.42Å; W1416-K1419 WeakPolarHBondContact O-CB 3.26Å; W1416-K1419 PolarHBondContact O-N 2.87Å; W1416-V1421 HydrophobicContact CB-CG2 4.4Å
1417	E	87.2	Confident	90.8	Very high	124 Å²	124	58.7 Å²	58.7	58%	0.579	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	33.3	-176.2	-59.5	162.1	-165.3	0	0	113.7	K1419	E1417-K1419 VanDerWaalsContact C-N 3.26Å; E1417-K1419 HydrophobicContact CB-CD 4.43Å; E1417-K1419 PolarHBondContact O-N 3.19Å; E1417-K1419 IonicContact OE2-NZ 2.75Å; E1417-K1419 PolarHBondContact OE2-NZ 3.3Å; E1417-K1419 VanDerWaalsContact OE2-NZ 3.11Å
1418	G	86.2	Confident	89.7	Confident	40 Å²	40	62.5 Å²	62.5	41%	0.412	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	10.5	-175.9	0	0	0	0	0	115.2	L1311 W1416	L1311-G1418 WeakPolarHBondContact CD1-O 3.39Å; W1416-G1418 PolarHBondContact O-N 3Å; W1416-G1418 VanDerWaalsContact O-N 3.16Å
1419	K	90.7	Very high	89.7	Confident	55 Å²	55	61.1 Å²	61.1	24%	0.239	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-120.4	146	-179	-51.8	153.5	-166.5	163.1	0	108.5	D627 V1312 W1416 E1417 V1421	D627-K1419 IonicContact OD2-NZ 2.6Å; D627-K1419 PolarHBondContact OD2-NZ 3.31Å; V1312-K1419 HydrophobicContact CB-CG 4.37Å; V1312-K1419 WeakPolarHBondContact O-CA 3.41Å; W1416-K1419 PolarHBondContact N-O 2.81Å; W1416-K1419 WeakPolarHBondContact O-CA 3.42Å; W1416-K1419 WeakPolarHBondContact O-CB 3.26Å; W1416-K1419 PolarHBondContact O-N 2.87Å; E1417-K1419 VanDerWaalsContact C-N 3.26Å; E1417-K1419 HydrophobicContact CB-CD 4.43Å; E1417-K1419 PolarHBondContact O-N 3.19Å; E1417-K1419 IonicContact OE2-NZ 2.75Å; E1417-K1419 PolarHBondContact OE2-NZ 3.3Å; E1417-K1419 VanDerWaalsContact OE2-NZ 3.11Å; K1419-V1421 HydrophobicContact CB-CG2 4.37Å
1420	V	93.4	Very high	89.5	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.006	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	122.6	167.4	173	0	0	0	0	107.8	L1311 V1312 V1313 G1314 L1371 F1390 L1413 L1415	L1311-V1420 HydrophobicContact CD1-CG2 4.31Å; L1311-V1420 HydrophobicContact CD2-CG2 3.86Å; L1311-V1420 HydrophobicContact CG-CG2 4.25Å; V1312-V1420 PolarHBondContact O-N 3.44Å; V1313-V1420 HydrophobicContact CB-CB 4.47Å; V1313-V1420 HydrophobicContact CG1-CB 4.29Å; V1313-V1420 HydrophobicContact CG1-CG1 4.19Å; V1313-V1420 HydrophobicContact CG2-CB 4.25Å; G1314-V1420 PolarHBondContact N-O 3.02Å; L1371-V1420 HydrophobicContact CD2-CG2 4.36Å; F1390-V1420 HydrophobicContact CD1-CG1 3.9Å; F1390-V1420 HydrophobicContact CE1-CG1 4.02Å; L1413-V1420 HydrophobicContact CB-CG1 4.38Å; L1413-V1420 HydrophobicContact CB-CG2 4.25Å; L1413-V1420 HydrophobicContact CD1-CG1 4.09Å; L1415-V1420 HydrophobicContact CD2-CG2 3.65Å
1421	V	92.8	Very high	89.5	Confident	30 Å²	30	56.4 Å²	56.4	18%	0.182	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	112.4	177.4	-176.3	0	0	0	0	109.6	G1314 K1391 W1416 K1419	G1314-V1421 CarbonylContact O-C 2.99Å; G1314-V1421 WeakPolarHBondContact O-CA 3.48Å; K1391-V1421 HydrophobicContact CB-CB 4.2Å; K1391-V1421 HydrophobicContact CD-CB 4.07Å; K1391-V1421 HydrophobicContact CD-CG1 3.79Å; K1391-V1421 HydrophobicContact CG-CB 4.22Å; K1391-V1421 HydrophobicContact CG-CG1 4.13Å; K1391-V1421 PolarHBondContact N-O 3.03Å; W1416-V1421 HydrophobicContact CB-CG2 4.4Å; K1419-V1421 HydrophobicContact CB-CG2 4.37Å
1422	A	94.1	Very high	89.4	Confident	3 Å²	3	58.5 Å²	58.5	3%	0.025	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	157.6	-173	0	0	0	0	0	113.6	G1314 Y1315 Y1316 F1376 F1389 F1390	G1314-A1422 PolarHBondContact O-N 3.18Å; Y1315-A1422 VanDerWaalsContact CA-O 3.31Å; Y1315-A1422 WeakPolarHBondContact CA-O 3.06Å; Y1316-A1422 PolarHBondContact N-O 3.24Å; F1376-A1422 HydrophobicContact CE1-CB 4.44Å; F1376-A1422 HydrophobicContact CE2-CB 4.02Å; F1376-A1422 HydrophobicContact CZ-CB 3.66Å; F1389-A1422 CarbonylContact O-C 3.54Å; F1389-A1422 VanDerWaalsContact O-CA 3.27Å; F1389-A1422 WeakPolarHBondContact O-CA 3.31Å; F1390-A1422 HydrophobicContact CD1-CB 3.58Å; F1390-A1422 HydrophobicContact CE1-CB 3.43Å; F1390-A1422 VanDerWaalsContact CE1-CB 3.43Å; F1390-A1422 HydrophobicContact CG-CB 4.42Å; F1390-A1422 HydrophobicContact CZ-CB 4.19Å
1423	R	93.4	Very high	89.3	Confident	107 Å²	107	55.9 Å²	55.9	40%	0.404	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	119.9	166.7	-176.2	167.7	177.5	-104.8	-15.1	107.9	F1389 E1425	F1389-R1423 HydrophobicContact CB-CB 4.46Å; F1389-R1423 PolarHBondContact N-O 3Å; F1389-R1423 PolarHBondContact O-N 3.41Å; R1423-E1425 HydrophobicContact CG-CG 4.49Å; R1423-E1425 IonicContact CZ-OE1 3.99Å; R1423-E1425 IonicContact NH1-OE1 2.68Å; R1423-E1425 PolarHBondContact NH1-OE1 3.48Å; R1423-E1425 IonicContact NH2-OE1 2.78Å; R1423-E1425 PolarHBondContact NH2-OE1 3.15Å
1424	V	94	Very high	89	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	99.4	-174.4	-175.8	0	0	0	0	107.6	Y1315 Y1316 L1317 C1318 F1376 I1380 Y1386 R1387 Y1388	Y1315-V1424 HydrophobicContact CD2-CG2 4.33Å; Y1316-V1424 PolarHBondContact O-N 3.04Å; L1317-V1424 HydrophobicContact CD1-CB 3.88Å; L1317-V1424 HydrophobicContact CD1-CG1 3.7Å; C1318-V1424 PolarHBondContact N-O 3.04Å; F1376-V1424 HydrophobicContact CE1-CG2 3.88Å; F1376-V1424 HydrophobicContact CZ-CG2 3.87Å; I1380-V1424 HydrophobicContact CD1-CG1 4.3Å; I1380-V1424 HydrophobicContact CD1-CG2 4.44Å; Y1386-V1424 HydrophobicContact CD1-CG1 3.87Å; Y1386-V1424 HydrophobicContact CD2-CG1 4.21Å; Y1386-V1424 HydrophobicContact CG-CG1 3.65Å; R1387-V1424 WeakPolarHBondContact O-CA 3.34Å; Y1388-V1424 HydrophobicContact CD1-CG1 3.95Å; Y1388-V1424 HydrophobicContact CD1-CG2 4.12Å; Y1388-V1424 HydrophobicContact CE1-CG1 3.85Å
1425	E	92.6	Very high	88.9	Confident	38 Å²	38	62.1 Å²	62.1	18%	0.178	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	153.6	177	-62.1	-172.5	154.2	0	0	110	Y1386 R1387 F1389 R1423	Y1386-E1425 CarbonylContact C-O 3.47Å; Y1386-E1425 WeakPolarHBondContact CA-O 3.32Å; Y1386-E1425 WeakPolarHBondContact CB-O 3.48Å; Y1386-E1425 WeakPolarHBondContact CD1-O 3.17Å; R1387-E1425 IonicContact CZ-OE2 3.11Å; R1387-E1425 PolarHBondContact N-O 3.07Å; R1387-E1425 IonicContact NE-OE2 3.28Å; R1387-E1425 PolarHBondContact NE-OE2 2.87Å; R1387-E1425 IonicContact NH2-OE2 3.22Å; R1387-E1425 PolarHBondContact NH2-OE2 3.28Å; R1387-E1425 PolarHBondContact O-N 3.13Å; F1389-E1425 HydrophobicContact CD2-CG 4.18Å; F1389-E1425 HydrophobicContact CE2-CB 4.23Å; F1389-E1425 HydrophobicContact CE2-CG 3.9Å; F1389-E1425 VanDerWaalsContact CE2-OE2 3.3Å; F1389-E1425 WeakPolarHBondContact CE2-OE2 3.08Å; R1423-E1425 HydrophobicContact CG-CG 4.49Å; R1423-E1425 IonicContact CZ-OE1 3.99Å; R1423-E1425 IonicContact NH1-OE1 2.68Å; R1423-E1425 PolarHBondContact NH1-OE1 3.48Å; R1423-E1425 IonicContact NH2-OE1 2.78Å; R1423-E1425 PolarHBondContact NH2-OE1 3.15Å
1426	R	90.3	Very high	88.8	Confident	152 Å²	152	63.1 Å²	63.1	57%	0.574	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.3	142.6	165.2	-74.4	179.1	59.3	-158.5	-9.9	109.7	Y1386	Y1386-R1426 HydrophobicContact CD1-CG 4.25Å; Y1386-R1426 HydrophobicContact CE1-CG 4.09Å
1427	A	83.6	Confident	88.9	Confident	29 Å²	29	64 Å²	64	24%	0.24	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-87.5	132.4	152.5	0	0	0	0	0	106.5	V1385 R1387	V1385-A1427 HydrophobicContact CB-CB 4.21Å; V1385-A1427 HydrophobicContact CG1-CB 3.79Å; V1385-A1427 PolarHBondContact O-N 3.41Å; R1387-A1427 HydrophobicContact CG-CB 4.41Å
1428	D	68.6	Low	89	Confident	188 Å²	188	58.5 Å²	58.5	100%	1.005	30%	0.297	S	S	*	.			trans	-90.8	0	175.3	-54.1	-59.7	0	0	0	110

Retrieved 1,428 of 1,428 residues in 1240.7 ms (Link to these results)

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