A0A093I4T1_STRCA Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A093I4T1, Species STRCA (Struthio camelus australis), Gene n/a, Length 1,143 aa.

						>A0A093I4T1_STRCA|A0A093I4T1
MKRSEKPEGYRQMRPKTFPASNYTGSSQQMLQEIRESLRNLPKPSDAAKADHSMGKMSTSSEDPRQGRNPPKFVTYHKVLQEIRNSLLPFANETTSAVKGTSEVNRQMLQDLQAAGFDEDMVVQALRQTNNRSIEAAIEFISKMSYQDPRREQMVAAAARPVNAGMKPPGGTVQQSVHRRQSWKGSKESLVPQRHGPSLGDGVVYRSESPSSQPDVGRPLSGSGIAAFAQAHPGNGQRVNPPPLPQIRSVTPPPPPPRGQTPPPRGTTPPPPSWEPNSQTKRYSGSMEYMISRISPVPPGAWQDGYPPPPMNPPPINSSAQAQRGMSAVPIGRQPIIMQSSANSKFNFPSGRAGMQNGNCQAEFIVHQNVVSGNSVSRQPPPYPINPTNRQSPTALQMQAGGSAPPSVYTNGNLPQTMMVPNRSSHNMELYNTNVAGIPASWSQPPPAQPQSSPGNGHEIPTWQPNVPVRSNSFNNHHGNRQSHSSSSQPSATTVTAITPAPIQQPVKSMRVLKPELQTALAPTHPSWMPQPVQTVQTIPFSESPSTNMAVMSPVAEAPNYQGPPPPYPKHLLHQNPSVNPYETGPKLSKEEPPVLSKEEESDKSYECVDSTDKEKKQITTSPVPVRKNKKDEERRESRIQSYSPQAFKFFMEQHVENILKSHQQRLHRKKQLENEMMRVGLSPEARDQMRKMLCQKESNYIRLRRAKMDKSMFVKIKTLGVGAFGEVCLARKVDTNALYATKTLRKKDVLLRNQVAHVKAERDILAEADNEWVVRLYYSFQDKDNLYFVMDYIPGGDMMSLLIRMGVFPENLAQFYTAELTCAVESVHKMGFIHRDIKPDNILIDRDGHIKLTDFGLCTGFRWTHDSKYYQSGDHARQDSMDFSNEWGDPANCRCGDRLKPLERRAARQHQRCLAHSLVGTPNYIAPEVLLRTGYTQLCDWWSVGVILFEMLVGQPPFLAQTPLETQMKVINWQTALHIPPQAKLTPEASDLIIKLCRGPEDRLGKNGADEIKAHPFFRTIDFSSDLRRQSAFYIPKIAHPTDTSNFDPVDPDKLWSDDDKEGNINDTLNGWYKNGKHPEHAFYEFTFRRFFDDNGYPYNNPKPIEYEYGNPQNSEQQSDDDDDDDDEQAGRGVQNRDLVYV
					

Structure Viewer

Loading PAE data...

(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	27.6	Very low	30.5	Very low	251 Å²	251	179.3 Å²	179.3	100%	1.236	86%	0.856	S	S	*	*				0	166.3	0	-76.4	166.2	72.8	0	0	109.6
2	K	33.7	Very low	30.6	Very low	206 Å²	206	180.3 Å²	180.3	90%	0.896	86%	0.859	S	S	*	*			trans	-69.9	148.3	-163.6	-58.6	176.6	179.1	179.4	0	115.5
3	R	27.6	Very low	30.2	Very low	239 Å²	239	180.3 Å²	180.3	90%	0.902	86%	0.861	S	S	*	*			trans	-165.5	95.3	137.3	-105	176.8	175.1	170.5	-0.5	107.6
4	S	27.7	Very low	29.9	Very low	107 Å²	107	184 Å²	184	75%	0.748	86%	0.862	S	S	*	*				76.9	111.4	68.3	74.2	0	0	0	0	113.6
5	E	33.7	Very low	30.1	Very low	189 Å²	189	179.3 Å²	179.3	88%	0.883	85%	0.854	S	S	*	*			trans	-91.3	161.4	-171.9	-50.3	165.1	108.8	0	0	114.5
6	K	30.9	Very low	29.9	Very low	196 Å²	196	180.6 Å²	180.6	85%	0.852	86%	0.855	S	S	*	*			trans	149	153.2	134	-85.7	178.2	179.4	-177.5	0	111.5
7	P	35.7	Very low	30	Very low	118 Å²	118	176.2 Å²	176.2	77%	0.766	84%	0.843	S	S	*	*			cis	-128	155.2	-32.9	36.9	-22.8	0	0	0	112.7
8	E	31.1	Very low	29.9	Very low	165 Å²	165	173.2 Å²	173.2	77%	0.771	83%	0.826	S	S	*	*			trans	-74.3	144.6	165.8	-88.1	-168.5	120	0	0	111.1	R11	E8-R11 IonicContact OE1-CZ 2.71Å; E8-R11 IonicContact OE1-NE 3.53Å; E8-R11 IonicContact OE1-NH2 3.57Å; E8-R11 PolarHBondContact OE1-NH2 3.23Å; E8-R11 VanDerWaalsContact OE1-NH2 3.1Å
9	G	28.6	Very low	30	Very low	66 Å²	66	166.8 Å²	166.8	68%	0.68	80%	0.8	S	S	*	*			trans	-149.8	137.2	174.4	0	0	0	0	0	112.3
10	Y	29.2	Very low	30.1	Very low	233 Å²	233	159.9 Å²	159.9	91%	0.914	77%	0.772	S	S	*	*			trans	55.1	65.9	171.7	-69.8	-84.9	0	0	0	117.6	Q12	Y10-Q12 PolarHBondContact O-N 2.7Å
11	R	30.3	Very low	30.1	Very low	202 Å²	202	154.9 Å²	154.9	76%	0.762	75%	0.753	S	S	*	*			trans	-66.2	127.7	144.9	-69.1	-171.1	-171.9	-172	5.6	108.6	E8 M13	E8-R11 IonicContact OE1-CZ 2.71Å; E8-R11 IonicContact OE1-NE 3.53Å; E8-R11 IonicContact OE1-NH2 3.57Å; E8-R11 PolarHBondContact OE1-NH2 3.23Å; E8-R11 VanDerWaalsContact OE1-NH2 3.1Å; R11-M13 PolarHBondContact O-N 3.16Å
12	Q	31.2	Very low	30.2	Very low	192 Å²	192	145.6 Å²	145.6	90%	0.897	71%	0.709	S	S	*	*			trans	-68.3	121.7	178.6	-74	-177.3	-16.7	0	0	111.1	Y10 R14	Y10-Q12 PolarHBondContact O-N 2.7Å; Q12-R14 PolarHBondContact O-N 3.5Å
13	M	25	Very low	30.2	Very low	180 Å²	180	138.7 Å²	138.7	89%	0.887	68%	0.678	S	S	*	*			trans	-63.8	113.3	174.5	-74.7	-73.2	-84.4	0	0	110.5	R11 P15	R11-M13 PolarHBondContact O-N 3.16Å; M13-P15 WeakPolarHBondContact O-CD 3.03Å
14	R	27.1	Very low	30.6	Very low	232 Å²	232	133 Å²	133	88%	0.875	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-69.5	117.9	175.3	-167.6	179.9	-167.5	173.5	3.5	109	Q12 K16	Q12-R14 PolarHBondContact O-N 3.5Å; R14-K16 PolarHBondContact O-N 3.37Å
15	P	31.7	Very low	30.7	Very low	113 Å²	113	129.9 Å²	129.9	73%	0.734	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-60.3	136.8	-177.7	-25.8	35.7	0	0	0	112.1	M13 T17	M13-P15 WeakPolarHBondContact O-CD 3.03Å; P15-T17 PolarHBondContact O-N 3Å
16	K	28.1	Very low	30.8	Very low	200 Å²	200	124.1 Å²	124.1	87%	0.87	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-61	135.9	177.8	-64.3	-170.4	177.9	-170.2	0	109.7	R14	R14-K16 PolarHBondContact O-N 3.37Å
17	T	31.8	Very low	31.1	Very low	107 Å²	107	118.6 Å²	118.6	66%	0.656	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-83.1	124.9	-166.5	47.8	0	0	0	0	112.8	P15	P15-T17 PolarHBondContact O-N 3Å
18	F	27.9	Very low	31.3	Very low	121 Å²	121	119.9 Å²	119.9	53%	0.531	62%	0.617	S	S	.	*	P	Polyproline II helix	trans	-67.5	140.4	164.9	-72.2	-82.6	0	0	0	111.4	S37	F18-S37 WeakPolarHBondContact CE1-OG 3.32Å; F18-S37 WeakPolarHBondContact CZ-OG 3.42Å
19	P	32.3	Very low	31.9	Very low	52 Å²	52	117.9 Å²	117.9	34%	0.338	61%	0.607	S	S	.	*			trans	-64.9	176.9	158.9	30.8	-33.8	0	0	0	111	K697	P19-K697 PolarHBondContact O-NZ 3.35Å
20	A	31	Very low	32.6	Very low	29 Å²	29	117.5 Å²	117.5	24%	0.24	59%	0.589	C	S	.	*			trans	-138.6	153.1	156.1	0	0	0	0	0	105.7	K697 F1093	A20-K697 HydrophobicContact CB-CD 4.04Å; A20-F1093 HydrophobicContact CB-CD1 3.55Å; A20-F1093 HydrophobicContact CB-CE1 3.58Å; A20-F1093 HydrophobicContact CB-CG 4.39Å; A20-F1093 HydrophobicContact CB-CZ 4.43Å; A20-F1093 WeakPolarHBondContact O-CA 3.15Å; A20-F1093 WeakPolarHBondContact O-CB 3.47Å; A20-F1093 WeakPolarHBondContact O-CD1 3.41Å
21	S	30.6	Very low	33.4	Very low	54 Å²	54	108.6 Å²	108.6	38%	0.378	56%	0.557	S	S	.	*			trans	-110	151.8	-178.6	47.4	0	0	0	0	111.4	Y23 F1093	S21-Y23 WeakPolarHBondContact OG-CD2 3.21Å; S21-F1093 WeakPolarHBondContact O-CD2 3.42Å
22	N	30	Very low	34.2	Very low	57 Å²	57	104.5 Å²	104.5	31%	0.305	55%	0.546	S	S	.	.			trans	-88.4	116.8	169.5	-131	-2.1	0	0	0	106.9	T24 F1093	N22-T24 PolarHBondContact O-N 2.6Å; N22-T24 VanDerWaalsContact O-N 3.15Å; N22-F1093 HydrophobicContact CB-CB 4.11Å; N22-F1093 HydrophobicContact CB-CD2 3.86Å; N22-F1093 VanDerWaalsContact N-CB 3.26Å
23	Y	33.8	Very low	35	Very low	61 Å²	61	98.4 Å²	98.4	24%	0.239	52%	0.517	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	94.3	-157	-134.6	-110.9	0	0	0	114.2	S21 S26 S27 M30	S21-Y23 WeakPolarHBondContact OG-CD2 3.21Å; Y23-S26 PolarHBondContact OH-O 3.05Å; Y23-S27 WeakPolarHBondContact OH-CA 3.33Å; Y23-S27 PolarHBondContact OH-O 3.47Å; Y23-M30 HydrophobicContact CD2-CE 3.64Å; Y23-M30 HydrophobicContact CE2-CB 3.91Å; Y23-M30 HydrophobicContact CE2-CE 3.42Å; Y23-M30 VanDerWaalsContact CE2-CE 3.42Å; Y23-M30 HydrophobicContact CE2-SD 4.29Å; Y23-M30 HydrophobicContact CG-CE 4.29Å; Y23-M30 WeakPolarHBondContact OH-CB 3.45Å
24	T	35.5	Very low	36.2	Very low	118 Å²	118	92.3 Å²	92.3	72%	0.724	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.3	-31.1	165.9	17.1	0	0	0	0	113	N22 D770	N22-T24 PolarHBondContact O-N 2.6Å; N22-T24 VanDerWaalsContact O-N 3.15Å; T24-D770 PolarHBondContact OG1-OD2 3.14Å
25	G	30.3	Very low	37.2	Very low	43 Å²	43	90 Å²	90	44%	0.443	48%	0.479	S	S	.	.	S	Bend	trans	-97.8	149.6	174.6	0	0	0	0	0	115.4
26	S	35	Very low	38	Very low	67 Å²	67	88.2 Å²	88.2	47%	0.469	46%	0.461	S	S	.	.			trans	38.9	100.5	170.4	-165.8	0	0	0	0	118.4	Y23 Q28	Y23-S26 PolarHBondContact OH-O 3.05Å; S26-Q28 PolarHBondContact O-N 2.97Å; S26-Q28 VanDerWaalsContact O-N 3.17Å; S26-Q28 PolarHBondContact OG-N 2.82Å
27	S	38	Very low	39	Very low	80 Å²	80	80.2 Å²	80.2	56%	0.559	43%	0.431	S	S	*	.	H	α-helix	trans	-59.7	-22.9	168.8	55.7	0	0	0	0	114.1	Y23 L31	Y23-S27 WeakPolarHBondContact OH-CA 3.33Å; Y23-S27 PolarHBondContact OH-O 3.47Å; S27-L31 WeakPolarHBondContact O-CD1 3.44Å; S27-L31 VanDerWaalsContact O-CG 3.3Å; S27-L31 WeakPolarHBondContact O-CG 3.25Å
28	Q	39.6	Very low	39.7	Very low	146 Å²	146	77.9 Å²	77.9	68%	0.682	41%	0.414	S	S	*	.	H	α-helix	trans	-78	-33.8	-172.4	-68.4	178.5	-23.3	0	0	113.7	S26 L31 Q32	S26-Q28 PolarHBondContact O-N 2.97Å; S26-Q28 VanDerWaalsContact O-N 3.17Å; S26-Q28 PolarHBondContact OG-N 2.82Å; Q28-L31 WeakPolarHBondContact O-CB 3.29Å; Q28-L31 PolarHBondContact O-N 2.8Å; Q28-L31 VanDerWaalsContact O-N 3.14Å; Q28-Q32 PolarHBondContact O-N 2.8Å
29	Q	42.6	Very low	40.6	Very low	122 Å²	122	79.7 Å²	79.7	57%	0.57	42%	0.417	S	S	*	.	H	α-helix	trans	-70.1	-44	-169.8	-169.8	168.4	-12.8	0	0	112.5	L31 Q32 E33	Q29-L31 PolarHBondContact O-N 3.29Å; Q29-Q32 PolarHBondContact O-N 2.78Å; Q29-Q32 VanDerWaalsContact O-N 3.12Å; Q29-E33 PolarHBondContact O-N 2.8Å
30	M	43.3	Very low	41	Very low	59 Å²	59	83.7 Å²	83.7	29%	0.291	44%	0.435	S	S	.	.	H	α-helix	trans	-58.3	-35.6	171.1	-176.8	-173.6	-78.4	0	0	111.9	Y23 I34	Y23-M30 HydrophobicContact CD2-CE 3.64Å; Y23-M30 HydrophobicContact CE2-CB 3.91Å; Y23-M30 HydrophobicContact CE2-CE 3.42Å; Y23-M30 VanDerWaalsContact CE2-CE 3.42Å; Y23-M30 HydrophobicContact CE2-SD 4.29Å; Y23-M30 HydrophobicContact CG-CE 4.29Å; Y23-M30 WeakPolarHBondContact OH-CB 3.45Å; M30-I34 HydrophobicContact CG-CD1 3.85Å; M30-I34 WeakPolarHBondContact O-CB 3.31Å; M30-I34 WeakPolarHBondContact O-CD1 3.31Å; M30-I34 WeakPolarHBondContact O-CG1 3.34Å; M30-I34 PolarHBondContact O-N 2.9Å; M30-I34 HydrophobicContact SD-CD1 4.5Å
31	L	46.1	Very low	41.4	Very low	46 Å²	46	87.9 Å²	87.9	24%	0.241	45%	0.453	C	S	.	.	H	α-helix	trans	-73	-32.4	178.9	-61.1	177.5	0	0	0	112.1	S27 Q28 Q29 R35 E676	S27-L31 WeakPolarHBondContact O-CD1 3.44Å; S27-L31 VanDerWaalsContact O-CG 3.3Å; S27-L31 WeakPolarHBondContact O-CG 3.25Å; Q28-L31 WeakPolarHBondContact O-CB 3.29Å; Q28-L31 PolarHBondContact O-N 2.8Å; Q28-L31 VanDerWaalsContact O-N 3.14Å; Q29-L31 PolarHBondContact O-N 3.29Å; L31-R35 WeakPolarHBondContact O-CB 3.41Å; L31-R35 PolarHBondContact O-N 2.91Å; L31-E676 VanDerWaalsContact CD2-CD 3.42Å; L31-E676 HydrophobicContact CD2-CG 3.75Å; L31-E676 WeakPolarHBondContact CD2-OE2 3.42Å
32	Q	46.7	Very low	41.7	Very low	115 Å²	115	91.2 Å²	91.2	54%	0.537	47%	0.473	S	S	.	.	H	α-helix	trans	-68.7	-46.9	172.1	-175.7	163.3	-14.3	0	0	111.2	Q28 Q29 I34 R35 E36	Q28-Q32 PolarHBondContact O-N 2.8Å; Q29-Q32 PolarHBondContact O-N 2.78Å; Q29-Q32 VanDerWaalsContact O-N 3.12Å; Q32-I34 VanDerWaalsContact C-N 3.35Å; Q32-I34 PolarHBondContact O-N 3.07Å; Q32-R35 CarbonylContact O-C 3.52Å; Q32-R35 PolarHBondContact O-N 3.18Å; Q32-R35 VanDerWaalsContact O-N 3.1Å; Q32-E36 VanDerWaalsContact CG-OE1 3.29Å; Q32-E36 WeakPolarHBondContact CG-OE1 3.27Å; Q32-E36 PolarHBondContact NE2-OE1 3.39Å; Q32-E36 VanDerWaalsContact NE2-OE1 3.14Å; Q32-E36 WeakPolarHBondContact O-CB 3.32Å; Q32-E36 WeakPolarHBondContact O-CG 3.28Å; Q32-E36 PolarHBondContact O-N 3.04Å
33	E	49.1	Very low	42	Very low	64 Å²	64	97.8 Å²	97.8	30%	0.299	50%	0.499	S	S	.	.	H	α-helix	trans	-60	-40.7	174.5	-72.2	174.3	-154.8	0	0	112.5	Q29 E36 S37	Q29-E33 PolarHBondContact O-N 2.8Å; E33-E36 PolarHBondContact O-N 2.91Å; E33-S37 WeakPolarHBondContact O-CB 3.31Å; E33-S37 PolarHBondContact O-N 2.91Å; E33-S37 PolarHBondContact O-OG 3.2Å
34	I	50.8	Low	42	Very low	52 Å²	52	101 Å²	101	27%	0.267	53%	0.528	S	S	.	.	H	α-helix	trans	-65.2	-42.1	173.3	-72	167.3	0	0	0	110.7	M30 Q32 E36 S37 L38	M30-I34 HydrophobicContact CG-CD1 3.85Å; M30-I34 WeakPolarHBondContact O-CB 3.31Å; M30-I34 WeakPolarHBondContact O-CD1 3.31Å; M30-I34 WeakPolarHBondContact O-CG1 3.34Å; M30-I34 PolarHBondContact O-N 2.9Å; M30-I34 HydrophobicContact SD-CD1 4.5Å; Q32-I34 VanDerWaalsContact C-N 3.35Å; Q32-I34 PolarHBondContact O-N 3.07Å; I34-E36 VanDerWaalsContact C-N 3.27Å; I34-E36 PolarHBondContact O-N 3.28Å; I34-S37 WeakPolarHBondContact O-CB 3.27Å; I34-S37 PolarHBondContact O-N 2.96Å; I34-L38 HydrophobicContact CG2-CD1 3.87Å; I34-L38 HydrophobicContact CG2-CG 4.45Å; I34-L38 WeakPolarHBondContact O-CB 3.34Å; I34-L38 VanDerWaalsContact O-CG 3.25Å; I34-L38 WeakPolarHBondContact O-CG 3.49Å; I34-L38 PolarHBondContact O-N 3.19Å
35	R	46.8	Very low	41.9	Very low	184 Å²	184	100.7 Å²	100.7	69%	0.694	53%	0.53	S	S	*	.	H	α-helix	trans	-69.8	-20.9	177.7	-171.5	177.4	-173.9	-177.1	2.6	113.5	L31 Q32 R39	L31-R35 WeakPolarHBondContact O-CB 3.41Å; L31-R35 PolarHBondContact O-N 2.91Å; Q32-R35 CarbonylContact O-C 3.52Å; Q32-R35 PolarHBondContact O-N 3.18Å; Q32-R35 VanDerWaalsContact O-N 3.1Å; R35-R39 PolarHBondContact O-N 3.3Å; R35-R39 PolarHBondContact O-NE 2.77Å
36	E	48.5	Very low	42.4	Very low	76 Å²	76	106.7 Å²	106.7	36%	0.355	55%	0.552	S	S	.	*	H	α-helix	trans	-86.8	-40.9	172.3	-75.2	168.3	-164.7	0	0	111.1	Q32 E33 I34 L38 R39 N40	Q32-E36 VanDerWaalsContact CG-OE1 3.29Å; Q32-E36 WeakPolarHBondContact CG-OE1 3.27Å; Q32-E36 PolarHBondContact NE2-OE1 3.39Å; Q32-E36 VanDerWaalsContact NE2-OE1 3.14Å; Q32-E36 WeakPolarHBondContact O-CB 3.32Å; Q32-E36 WeakPolarHBondContact O-CG 3.28Å; Q32-E36 PolarHBondContact O-N 3.04Å; E33-E36 PolarHBondContact O-N 2.91Å; I34-E36 VanDerWaalsContact C-N 3.27Å; I34-E36 PolarHBondContact O-N 3.28Å; E36-L38 VanDerWaalsContact C-N 3.3Å; E36-L38 PolarHBondContact O-N 3.32Å; E36-R39 WeakPolarHBondContact O-CB 3.29Å; E36-R39 PolarHBondContact O-N 3.37Å; E36-R39 IonicContact OE1-NH2 2.76Å; E36-N40 PolarHBondContact O-N 3.36Å; E36-N40 PolarHBondContact O-ND2 3.2Å
37	S	48.9	Very low	42.2	Very low	32 Å²	32	108 Å²	108	22%	0.224	57%	0.567	C	S	.	*	H	α-helix	trans	-54.6	-45.9	169.6	-56.5	0	0	0	0	111.7	F18 E33 I34 R39 N40 L41	F18-S37 WeakPolarHBondContact CE1-OG 3.32Å; F18-S37 WeakPolarHBondContact CZ-OG 3.42Å; E33-S37 WeakPolarHBondContact O-CB 3.31Å; E33-S37 PolarHBondContact O-N 2.91Å; E33-S37 PolarHBondContact O-OG 3.2Å; I34-S37 WeakPolarHBondContact O-CB 3.27Å; I34-S37 PolarHBondContact O-N 2.96Å; S37-R39 VanDerWaalsContact C-N 3.3Å; S37-R39 PolarHBondContact O-N 2.92Å; S37-N40 PolarHBondContact O-N 2.96Å; S37-L41 WeakPolarHBondContact O-CD1 3.4Å
38	L	47.6	Very low	41.8	Very low	57 Å²	57	109.2 Å²	109.2	30%	0.298	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.6	-19.6	177.1	-69.1	169.9	0	0	0	113.7	I34 E36 V680 L682	I34-L38 HydrophobicContact CG2-CD1 3.87Å; I34-L38 HydrophobicContact CG2-CG 4.45Å; I34-L38 WeakPolarHBondContact O-CB 3.34Å; I34-L38 VanDerWaalsContact O-CG 3.25Å; I34-L38 WeakPolarHBondContact O-CG 3.49Å; I34-L38 PolarHBondContact O-N 3.19Å; E36-L38 VanDerWaalsContact C-N 3.3Å; E36-L38 PolarHBondContact O-N 3.32Å; L38-V680 HydrophobicContact CD1-CG1 3.86Å; L38-L682 HydrophobicContact CD1-CD2 4.13Å; L38-L682 HydrophobicContact CD2-CD2 3.79Å
39	R	46.2	Very low	41.6	Very low	159 Å²	159	112.2 Å²	112.2	60%	0.6	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-23	173.3	-110.6	-176.5	-68.6	176.9	3.9	112.9	R35 E36 S37	R35-R39 PolarHBondContact O-N 3.3Å; R35-R39 PolarHBondContact O-NE 2.77Å; E36-R39 WeakPolarHBondContact O-CB 3.29Å; E36-R39 PolarHBondContact O-N 3.37Å; E36-R39 IonicContact OE1-NH2 2.76Å; S37-R39 VanDerWaalsContact C-N 3.3Å; S37-R39 PolarHBondContact O-N 2.92Å
40	N	40.7	Very low	41	Very low	136 Å²	136	110.8 Å²	110.8	73%	0.727	60%	0.602	S	S	*	*	S	Bend	trans	-98	8.2	-173.7	-66.8	-18.4	0	0	0	113.9	E36 S37	E36-N40 PolarHBondContact O-N 3.36Å; E36-N40 PolarHBondContact O-ND2 3.2Å; S37-N40 PolarHBondContact O-N 2.96Å
41	L	40.4	Very low	40.3	Very low	117 Å²	117	115 Å²	115	61%	0.613	63%	0.626	S	S	*	*	S	Bend	trans	-74.7	129.5	164.5	-87.7	72.1	0	0	0	109	S37 K43	S37-L41 WeakPolarHBondContact O-CD1 3.4Å; L41-K43 PolarHBondContact O-N 2.86Å
42	P	35.1	Very low	39.5	Very low	124 Å²	124	121.1 Å²	121.1	81%	0.805	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-65.1	131.5	174.8	27.5	-33.5	0	0	0	110.1
43	K	37.1	Very low	38.5	Very low	195 Å²	195	120.3 Å²	120.3	85%	0.848	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-68.2	138.5	168.1	-67.6	-178	178.9	-179.7	0	108.9	L41 S45	L41-K43 PolarHBondContact O-N 2.86Å; K43-S45 PolarHBondContact O-N 2.8Å
44	P	34.6	Very low	37.5	Very low	129 Å²	129	126.2 Å²	126.2	84%	0.838	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-65.6	122.3	165.8	28.6	-32.2	0	0	0	108.7
45	S	32.8	Very low	36.4	Very low	111 Å²	111	126.8 Å²	126.8	78%	0.776	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-89.5	137.7	172.9	52.7	0	0	0	0	110.4	K43	K43-S45 PolarHBondContact O-N 2.8Å
46	D	41.4	Very low	35.6	Very low	169 Å²	169	127.2 Å²	127.2	90%	0.904	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-55	137.7	178.7	-65.1	-85.6	0	0	0	113.7
47	A	30.4	Very low	34.6	Very low	95 Å²	95	130.8 Å²	130.8	79%	0.785	73%	0.734	S	S	*	*			trans	-149.8	130.8	166.3	0	0	0	0	0	111.5
48	A	29.3	Very low	33.5	Very low	105 Å²	105	133.7 Å²	133.7	87%	0.868	75%	0.754	S	S	*	*			trans	63.6	121	167.7	0	0	0	0	0	119.4
49	K	34.6	Very low	32.5	Very low	209 Å²	209	136.5 Å²	136.5	91%	0.909	77%	0.774	S	S	*	*			trans	-90.8	-177	153.1	-65.5	178.4	178.4	176.1	0	109.4
50	A	30.4	Very low	31.5	Very low	93 Å²	93	133.9 Å²	133.9	77%	0.769	78%	0.78	S	S	*	*			trans	84.5	141.7	-177.5	0	0	0	0	0	113.9
51	D	28	Very low	30.9	Very low	146 Å²	146	132 Å²	132	78%	0.781	78%	0.778	S	S	*	*			cis	-139.1	176.7	7.2	-137.2	-40.5	0	0	0	114.2
52	H	30.5	Very low	30.2	Very low	176 Å²	176	135.7 Å²	135.7	82%	0.815	79%	0.792	S	S	*	*			trans	-74.7	149.5	-172.7	-75.4	-93	0	0	0	115.3
53	S	26.1	Very low	30.1	Very low	98 Å²	98	136.7 Å²	136.7	69%	0.685	79%	0.79	S	S	*	*				146.4	147.5	103.8	-157.2	0	0	0	0	114.9
54	M	27.9	Very low	30.2	Very low	187 Å²	187	132.4 Å²	132.4	92%	0.921	78%	0.782	S	S	*	*			trans	52.5	126.4	165.8	-60.4	-79	-177.9	0	0	118.8
55	G	27.6	Very low	30	Very low	65 Å²	65	136.8 Å²	136.8	67%	0.67	78%	0.782	S	S	*	*			cis	166.7	167.6	-5.7	0	0	0	0	0	112.6
56	K	29.6	Very low	29.9	Very low	192 Å²	192	141 Å²	141	84%	0.835	79%	0.79	S	S	*	*			trans	34.1	136.5	152.4	-65.2	-179.9	-179.4	178	0	119.5
57	M	26.8	Very low	29.3	Very low	152 Å²	152	136.9 Å²	136.9	75%	0.749	79%	0.787	S	S	*	*			cis	-170	153.9	18.7	-126.1	162.1	150	0	0	111.1
58	S	27	Very low	29.1	Very low	92 Å²	92	143.8 Å²	143.8	64%	0.643	79%	0.793	S	S	*	*			trans	56.7	151	140.9	-58.8	0	0	0	0	122.3
59	T	25.8	Very low	29.1	Very low	117 Å²	117	146 Å²	146	72%	0.718	79%	0.79	S	S	*	*			cis	-170.6	156.8	-20.6	30.2	0	0	0	0	108
60	S	26	Very low	29.5	Very low	104 Å²	104	141.4 Å²	141.4	73%	0.727	78%	0.782	S	S	*	*			trans	45.6	147.9	143.8	63.6	0	0	0	0	122.6
61	S	27	Very low	29.7	Very low	96 Å²	96	142.5 Å²	142.5	67%	0.671	78%	0.781	S	S	*	*			cis	-177.5	171	-12.6	49.6	0	0	0	0	110
62	E	27.3	Very low	30	Very low	194 Å²	194	144.9 Å²	144.9	91%	0.907	78%	0.784	S	S	*	*			trans	73.3	156	162.3	-58.8	-171.1	110.6	0	0	120.4
63	D	31.6	Very low	30.3	Very low	146 Å²	146	145.6 Å²	145.6	78%	0.781	79%	0.785	S	S	*	*			trans	-148.7	137.1	-176.1	165.4	46.2	0	0	0	107.3
64	P	40.1	Very low	31.1	Very low	104 Å²	104	146.8 Å²	146.8	68%	0.675	79%	0.788	S	S	*	*				-153.5	152.9	116.1	36	-17.4	0	0	0	117.8
65	R	29.3	Very low	32	Very low	222 Å²	222	143 Å²	143	84%	0.838	78%	0.776	S	S	*	*			trans	78.7	109.1	147.5	-70.9	164.7	-176.2	-173.7	1.9	121
66	Q	31.3	Very low	32.6	Very low	199 Å²	199	148.1 Å²	148.1	93%	0.93	78%	0.776	S	S	*	*			trans	47.5	108.6	131.3	-63.9	-174.9	-9.8	0	0	120.7
67	G	28.2	Very low	33.2	Very low	83 Å²	83	145.9 Å²	145.9	86%	0.856	77%	0.768	S	S	*	*			trans	-166.3	142.8	159.5	0	0	0	0	0	112.9
68	R	27	Very low	34.1	Very low	239 Å²	239	147 Å²	147	90%	0.902	77%	0.769	S	S	*	*			trans	-97.4	130.9	177.3	-76.8	176.9	168.7	166.1	-5	111.5
69	N	29.6	Very low	35.2	Very low	152 Å²	152	146.3 Å²	146.3	81%	0.813	76%	0.76	S	S	*	*				177.3	164.2	117.9	-91.1	-28	0	0	0	113
70	P	42.6	Very low	36.2	Very low	113 Å²	113	145.8 Å²	145.8	73%	0.734	75%	0.753	S	S	*	*			trans	-110.9	161.3	-154.7	40.1	-35.1	0	0	0	116.6
71	P	35.1	Very low	37.1	Very low	115 Å²	115	146.1 Å²	146.1	75%	0.747	74%	0.743	S	S	*	*			trans	-114.6	112.7	164.4	35.4	-24.4	0	0	0	115.2
72	K	34	Very low	38.3	Very low	197 Å²	197	148.3 Å²	148.3	86%	0.857	74%	0.742	S	S	*	*				55	105.4	129.9	-59.3	171.6	-176.1	176.6	0	120.3	V74	K72-V74 PolarHBondContact O-N 3.45Å
73	F	35.4	Very low	39.7	Very low	190 Å²	190	143.4 Å²	143.4	83%	0.833	72%	0.722	S	S	*	*			trans	-67.7	118.6	155	-96.8	-108.7	0	0	0	111.4	Y76	F73-Y76 HydrophobicContact CD1-CE2 4.41Å; F73-Y76 HydrophobicContact CE1-CE2 4.24Å
74	V	43.4	Very low	40.7	Very low	124 Å²	124	145.7 Å²	145.7	75%	0.752	72%	0.719	S	S	*	*			trans	-146.3	91.3	163.8	-172.9	0	0	0	0	110.7	K72	K72-V74 PolarHBondContact O-N 3.45Å
75	T	48	Very low	41.2	Very low	106 Å²	106	145.5 Å²	145.5	65%	0.65	71%	0.713	S	S	*	*	S	Bend	trans	-155.8	-25.2	172.3	-22.2	0	0	0	0	115.5	H77	T75-H77 PolarHBondContact O-N 2.82Å
76	Y	40	Very low	42.2	Very low	174 Å²	174	139.1 Å²	139.1	68%	0.682	70%	0.702	S	S	*	*	H	α-helix	trans	-70	-31.1	-178.4	-74.7	-85.6	0	0	0	114.4	F73 K78 V79 L80	F73-Y76 HydrophobicContact CD1-CE2 4.41Å; F73-Y76 HydrophobicContact CE1-CE2 4.24Å; Y76-K78 PolarHBondContact O-N 3.18Å; Y76-V79 PolarHBondContact O-N 3.32Å; Y76-L80 WeakPolarHBondContact O-CG 3.5Å; Y76-L80 PolarHBondContact O-N 3.29Å; Y76-L80 VanDerWaalsContact O-N 3.16Å
77	H	41	Very low	43	Very low	144 Å²	144	134.3 Å²	134.3	67%	0.667	68%	0.682	S	S	*	*	H	α-helix	trans	-71.3	-32.8	-170	-142.7	-69.1	0	0	0	113.7	T75 Q81	T75-H77 PolarHBondContact O-N 2.82Å; H77-Q81 WeakPolarHBondContact O-CB 3.39Å; H77-Q81 PolarHBondContact O-N 3.48Å; H77-Q81 VanDerWaalsContact O-N 3.16Å
78	K	46.6	Very low	43.6	Very low	176 Å²	176	136.1 Å²	136.1	77%	0.765	67%	0.672	S	S	*	*	H	α-helix	trans	-66.2	-48.3	174.7	-78.9	-168.4	172.4	-172.6	0	111.4	Y76 L80 Q81 E82	Y76-K78 PolarHBondContact O-N 3.18Å; K78-L80 VanDerWaalsContact C-N 3.33Å; K78-L80 PolarHBondContact O-N 2.96Å; K78-Q81 PolarHBondContact O-N 3.21Å; K78-E82 WeakPolarHBondContact O-CB 3.43Å; K78-E82 PolarHBondContact O-N 3.05Å
79	V	49.9	Very low	44.4	Very low	77 Å²	77	129.6 Å²	129.6	47%	0.467	66%	0.66	S	S	.	*	H	α-helix	trans	-59.8	-43.1	-180	-177.6	0	0	0	0	111.3	Y76 Q81 E82 I83	Y76-V79 PolarHBondContact O-N 3.32Å; V79-Q81 VanDerWaalsContact C-N 3.31Å; V79-Q81 PolarHBondContact O-N 3.16Å; V79-E82 PolarHBondContact O-N 3.13Å; V79-I83 HydrophobicContact CG1-CD1 4.01Å; V79-I83 WeakPolarHBondContact O-CB 3.45Å; V79-I83 WeakPolarHBondContact O-CD1 3.47Å; V79-I83 VanDerWaalsContact O-CG1 3.26Å; V79-I83 WeakPolarHBondContact O-CG1 3.36Å; V79-I83 PolarHBondContact O-N 2.77Å
80	L	47.2	Very low	45.1	Very low	107 Å²	107	130.6 Å²	130.6	56%	0.56	66%	0.657	S	S	*	*	H	α-helix	trans	-66.9	-29.9	176.6	-69.8	172.2	0	0	0	113.2	Y76 K78 R84	Y76-L80 WeakPolarHBondContact O-CG 3.5Å; Y76-L80 PolarHBondContact O-N 3.29Å; Y76-L80 VanDerWaalsContact O-N 3.16Å; K78-L80 VanDerWaalsContact C-N 3.33Å; K78-L80 PolarHBondContact O-N 2.96Å; L80-R84 WeakPolarHBondContact O-CB 3.18Å; L80-R84 PolarHBondContact O-N 3.38Å; L80-R84 VanDerWaalsContact O-N 3.09Å
81	Q	44.2	Very low	45.1	Very low	111 Å²	111	128 Å²	128	52%	0.519	65%	0.646	S	S	.	*	H	α-helix	trans	-78.7	-36.2	177.5	-169.3	165	0.4	0	0	112.2	H77 K78 V79 R84 N85	H77-Q81 WeakPolarHBondContact O-CB 3.39Å; H77-Q81 PolarHBondContact O-N 3.48Å; H77-Q81 VanDerWaalsContact O-N 3.16Å; K78-Q81 PolarHBondContact O-N 3.21Å; V79-Q81 VanDerWaalsContact C-N 3.31Å; V79-Q81 PolarHBondContact O-N 3.16Å; Q81-R84 WeakPolarHBondContact O-CB 3.48Å; Q81-R84 PolarHBondContact O-N 2.93Å; Q81-N85 VanDerWaalsContact O-CG 3.3Å; Q81-N85 PolarHBondContact O-N 3.18Å; Q81-N85 PolarHBondContact O-OD1 3.08Å
82	E	51.7	Low	45.2	Very low	141 Å²	141	130 Å²	130	66%	0.659	65%	0.65	S	S	*	*	H	α-helix	trans	-64.8	-43.6	172.4	-170.4	166.3	-141.4	0	0	111.6	K78 V79 R84 N85 S86	K78-E82 WeakPolarHBondContact O-CB 3.43Å; K78-E82 PolarHBondContact O-N 3.05Å; V79-E82 PolarHBondContact O-N 3.13Å; E82-R84 VanDerWaalsContact C-N 3.33Å; E82-R84 PolarHBondContact O-N 2.9Å; E82-N85 PolarHBondContact O-N 3.24Å; E82-S86 WeakPolarHBondContact O-CB 3.43Å; E82-S86 PolarHBondContact O-N 3.33Å
83	I	57.8	Low	44.9	Very low	91 Å²	91	128.9 Å²	128.9	47%	0.467	65%	0.648	S	S	.	*	H	α-helix	trans	-59.9	-41.9	170	-69.3	165.8	0	0	0	111.1	V79 S86 L87	V79-I83 HydrophobicContact CG1-CD1 4.01Å; V79-I83 WeakPolarHBondContact O-CB 3.45Å; V79-I83 WeakPolarHBondContact O-CD1 3.47Å; V79-I83 VanDerWaalsContact O-CG1 3.26Å; V79-I83 WeakPolarHBondContact O-CG1 3.36Å; V79-I83 PolarHBondContact O-N 2.77Å; I83-S86 PolarHBondContact O-N 2.92Å; I83-L87 HydrophobicContact CG2-CD1 3.96Å; I83-L87 WeakPolarHBondContact O-CG 3.28Å; I83-L87 PolarHBondContact O-N 3.4Å
84	R	51.7	Low	44.7	Very low	195 Å²	195	126.4 Å²	126.4	74%	0.736	65%	0.649	S	S	*	*	H	α-helix	trans	-61.7	-45.7	177.3	-123.6	175.5	-177.1	152.1	0.4	112.1	L80 Q81 E82 S86 L87 L88	L80-R84 WeakPolarHBondContact O-CB 3.18Å; L80-R84 PolarHBondContact O-N 3.38Å; L80-R84 VanDerWaalsContact O-N 3.09Å; Q81-R84 WeakPolarHBondContact O-CB 3.48Å; Q81-R84 PolarHBondContact O-N 2.93Å; E82-R84 VanDerWaalsContact C-N 3.33Å; E82-R84 PolarHBondContact O-N 2.9Å; R84-S86 VanDerWaalsContact C-N 3.34Å; R84-S86 PolarHBondContact O-N 3.34Å; R84-L87 PolarHBondContact O-N 2.86Å; R84-L88 PolarHBondContact O-N 3.02Å
85	N	50.6	Low	44	Very low	100 Å²	100	126.4 Å²	126.4	54%	0.535	65%	0.649	S	S	.	*	H	α-helix	trans	-66.6	-36.3	179.8	-68.9	-0.7	0	0	0	111.9	Q81 E82 L87 L88	Q81-N85 VanDerWaalsContact O-CG 3.3Å; Q81-N85 PolarHBondContact O-N 3.18Å; Q81-N85 PolarHBondContact O-OD1 3.08Å; E82-N85 PolarHBondContact O-N 3.24Å; N85-L87 PolarHBondContact O-N 3.31Å; N85-L88 PolarHBondContact O-N 3Å
86	S	50.7	Low	43.1	Very low	88 Å²	88	126.4 Å²	126.4	62%	0.615	65%	0.653	S	S	*	*	H	α-helix	trans	-64.3	-24.4	174.4	-169.4	0	0	0	0	113.6	E82 I83 R84	E82-S86 WeakPolarHBondContact O-CB 3.43Å; E82-S86 PolarHBondContact O-N 3.33Å; I83-S86 PolarHBondContact O-N 2.92Å; R84-S86 VanDerWaalsContact C-N 3.34Å; R84-S86 PolarHBondContact O-N 3.34Å
87	L	47.8	Very low	42.8	Very low	98 Å²	98	123.4 Å²	123.4	51%	0.513	66%	0.664	S	S	.	*	H	α-helix	trans	-96.3	-5.3	-178.9	-67.6	171	0	0	0	114.5	I83 R84 N85 P89 F90	I83-L87 HydrophobicContact CG2-CD1 3.96Å; I83-L87 WeakPolarHBondContact O-CG 3.28Å; I83-L87 PolarHBondContact O-N 3.4Å; R84-L87 PolarHBondContact O-N 2.86Å; N85-L87 PolarHBondContact O-N 3.31Å; L87-P89 VanDerWaalsContact C-N 3.35Å; L87-F90 PolarHBondContact O-N 3.35Å; L87-F90 VanDerWaalsContact O-N 3.09Å
88	L	41.7	Very low	42.4	Very low	121 Å²	121	122.8 Å²	122.8	63%	0.634	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-56	-35.1	177.3	-75	170.5	0	0	0	114.9	R84 N85 F90	R84-L88 PolarHBondContact O-N 3.02Å; N85-L88 PolarHBondContact O-N 3Å; L88-F90 PolarHBondContact O-N 3.4Å; L88-F90 VanDerWaalsContact O-N 3.09Å
89	P	43.4	Very low	41.9	Very low	101 Å²	101	124.5 Å²	124.5	66%	0.656	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-65.9	-7	176.2	-22.3	34.8	0	0	0	115.3	L87	L87-P89 VanDerWaalsContact C-N 3.35Å
90	F	43.8	Very low	41.1	Very low	173 Å²	173	123.9 Å²	123.9	76%	0.759	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-123.9	15	-172.6	-55.4	-75.5	0	0	0	113.1	L87 L88	L87-F90 PolarHBondContact O-N 3.35Å; L87-F90 VanDerWaalsContact O-N 3.09Å; L88-F90 PolarHBondContact O-N 3.4Å; L88-F90 VanDerWaalsContact O-N 3.09Å
91	A	44.1	Very low	40.5	Very low	59 Å²	59	124.3 Å²	124.3	49%	0.488	70%	0.695	S	S	.	*			trans	-123	59.3	-167	0	0	0	0	0	113.4
92	N	35.8	Very low	40.6	Very low	158 Å²	158	122.2 Å²	122.2	85%	0.845	69%	0.692	S	S	*	*			trans	174.7	147	155.5	-85.6	-24.4	0	0	0	106
93	E	27.1	Very low	40.9	Very low	172 Å²	172	123.9 Å²	123.9	80%	0.804	70%	0.7	S	S	*	*			cis	-117.2	154.4	20.7	-55.5	179.6	137.8	0	0	113.6
94	T	33.2	Very low	41.5	Very low	139 Å²	139	120.9 Å²	120.9	85%	0.853	69%	0.686	S	S	*	*			trans	-114.4	110.1	161.3	50.6	0	0	0	0	109.6
95	T	27.6	Very low	42.8	Very low	124 Å²	124	115 Å²	115	76%	0.761	67%	0.669	S	S	*	*			trans	-112	139.2	177.9	-53.1	0	0	0	0	110.4
96	S	28.6	Very low	44.1	Very low	105 Å²	105	119 Å²	119	73%	0.734	68%	0.677	S	S	*	*			trans	-63.9	145.3	-162.1	-58.7	0	0	0	0	115.2	V98	S96-V98 PolarHBondContact O-N 3.34Å
97	A	34.1	Very low	45.4	Very low	111 Å²	111	120 Å²	120	92%	0.917	67%	0.671	S	S	*	*			trans	-67.7	95.6	176.2	0	0	0	0	0	112.5
98	V	32	Very low	46.9	Very low	132 Å²	132	116 Å²	116	80%	0.8	65%	0.65	S	S	*	*			trans	-119.5	152.6	165.7	-178.8	0	0	0	0	108.5	S96 G100	S96-V98 PolarHBondContact O-N 3.34Å; V98-G100 PolarHBondContact O-N 3Å
99	K	36.8	Very low	48.9	Very low	212 Å²	212	111.4 Å²	111.4	92%	0.922	63%	0.626	S	S	*	*	S	Bend	trans	-62.5	126.3	-175.3	-60.3	172.6	-178.8	173.6	0	111.9
100	G	33.4	Very low	50.6	Low	64 Å²	64	110.4 Å²	110.4	66%	0.66	61%	0.613	S	S	*	*			trans	171.6	142.9	166	0	0	0	0	0	114.2	V98	V98-G100 PolarHBondContact O-N 3Å
101	T	35.4	Very low	52.3	Low	116 Å²	116	105.3 Å²	105.3	71%	0.712	59%	0.593	S	S	*	*			trans	7.7	125.3	155.4	50.9	0	0	0	0	119.1
102	S	44.6	Very low	54	Low	66 Å²	66	102.6 Å²	102.6	46%	0.462	57%	0.57	S	S	.	*			trans	-59.9	146.2	159.3	47.8	0	0	0	0	111.5	R127	S102-R127 PolarHBondContact O-NH1 3.05Å; S102-R127 PolarHBondContact O-NH2 3.34Å; S102-R127 PolarHBondContact OG-NH1 3.43Å; S102-R127 VanDerWaalsContact OG-NH1 3.14Å
103	E	58.8	Low	56.1	Low	177 Å²	177	97.9 Å²	97.9	83%	0.827	54%	0.544	S	S	*	.			trans	-86.4	156.4	168.5	-76.1	-172.1	117.4	0	0	112	N131	E103-N131 PolarHBondContact O-ND2 3.21Å
104	V	70.2	Confident	58.3	Low	28 Å²	28	94 Å²	94	17%	0.17	54%	0.541	C	S	.	.			trans	-104.9	140.9	-179.2	168.1	0	0	0	0	108.8	R106 L109 V123 L126 R127	V104-R106 PolarHBondContact O-N 2.81Å; V104-L109 HydrophobicContact CG1-CB 4.24Å; V104-L109 HydrophobicContact CG1-CD2 4.48Å; V104-V123 HydrophobicContact CG2-CG1 4.27Å; V104-L126 HydrophobicContact CG1-CB 3.64Å; V104-L126 HydrophobicContact CG1-CD1 3.45Å; V104-L126 VanDerWaalsContact CG1-CD1 3.45Å; V104-L126 HydrophobicContact CG1-CG 4.19Å; V104-L126 HydrophobicContact CG2-CB 4.39Å; V104-R127 HydrophobicContact CG2-CG 3.71Å
105	N	79.5	Confident	60.2	Low	71 Å²	71	90 Å²	90	38%	0.38	52%	0.522	S	S	.	.			trans	-65	107.8	179.1	-177.1	-12	0	0	0	110.1	Q107 M108 L109 N131	N105-Q107 PolarHBondContact O-N 3.02Å; N105-Q107 PolarHBondContact OD1-N 3.15Å; N105-M108 HydrophobicContact CB-CB 4.26Å; N105-M108 HydrophobicContact CB-CG 4.1Å; N105-M108 HydrophobicContact CB-SD 3.77Å; N105-M108 PolarHBondContact ND2-SD 3Å; N105-M108 PolarHBondContact O-N 2.95Å; N105-M108 VanDerWaalsContact O-N 3.17Å; N105-L109 PolarHBondContact O-N 2.81Å; N105-N131 HydrophobicContact CB-CB 4.07Å; N105-N131 PolarHBondContact N-OD1 3.49Å
106	R	77.4	Confident	62.4	Low	185 Å²	185	87.2 Å²	87.2	70%	0.698	52%	0.517	S	S	*	.	H	α-helix	trans	-60.4	-30.1	-172.9	-163.2	173.7	-169.1	-116.8	3.3	113.7	V104 Q110	V104-R106 PolarHBondContact O-N 2.81Å; R106-Q110 VanDerWaalsContact O-CG 3.31Å; R106-Q110 WeakPolarHBondContact O-CG 3.47Å; R106-Q110 PolarHBondContact O-N 2.99Å; R106-Q110 VanDerWaalsContact O-N 3.09Å
107	Q	77.9	Confident	64.7	Low	107 Å²	107	85 Å²	85	50%	0.5	50%	0.495	S	S	.	.	H	α-helix	trans	-69.9	-50.8	175.7	-171.4	62.5	56.3	0	0	110.7	N105 L109 Q110 D111	N105-Q107 PolarHBondContact O-N 3.02Å; N105-Q107 PolarHBondContact OD1-N 3.15Å; Q107-L109 PolarHBondContact O-N 3.21Å; Q107-Q110 PolarHBondContact O-N 3.17Å; Q107-D111 PolarHBondContact NE2-OD1 3.11Å; Q107-D111 PolarHBondContact O-N 2.78Å
108	M	79.6	Confident	66.9	Low	16 Å²	16	82.6 Å²	82.6	8%	0.079	47%	0.466	C	S	.	.	H	α-helix	trans	-62.1	-32.8	178.5	-60.6	171.7	73.9	0	0	112.3	N105 L112 L126 N131 S133 I134	N105-M108 HydrophobicContact CB-CB 4.26Å; N105-M108 HydrophobicContact CB-CG 4.1Å; N105-M108 HydrophobicContact CB-SD 3.77Å; N105-M108 PolarHBondContact ND2-SD 3Å; N105-M108 PolarHBondContact O-N 2.95Å; N105-M108 VanDerWaalsContact O-N 3.17Å; M108-L112 WeakPolarHBondContact O-CB 3.39Å; M108-L112 WeakPolarHBondContact O-CD1 3.49Å; M108-L112 VanDerWaalsContact O-CG 3.31Å; M108-L112 WeakPolarHBondContact O-CG 3.34Å; M108-L112 PolarHBondContact O-N 2.89Å; M108-L112 VanDerWaalsContact O-N 3.16Å; M108-L126 HydrophobicContact CB-CD1 4.02Å; M108-L126 HydrophobicContact CB-CD2 3.98Å; M108-L126 HydrophobicContact CE-CD2 3.69Å; M108-L126 HydrophobicContact SD-CD2 4.31Å; M108-N131 HydrophobicContact SD-CB 4.3Å; M108-S133 WeakPolarHBondContact CE-O 3.31Å; M108-I134 HydrophobicContact CB-CG1 4.28Å; M108-I134 HydrophobicContact CE-CG1 3.89Å; M108-I134 HydrophobicContact CG-CD1 4.46Å; M108-I134 HydrophobicContact CG-CG1 4.05Å
109	L	82.7	Confident	69.1	Low	23 Å²	23	81.7 Å²	81.7	12%	0.12	45%	0.453	C	S	.	.	H	α-helix	trans	-63.1	-49.5	172.1	178	59.6	0	0	0	111	V104 N105 Q107 L112 Q113 V122 V123 L126	V104-L109 HydrophobicContact CG1-CB 4.24Å; V104-L109 HydrophobicContact CG1-CD2 4.48Å; N105-L109 PolarHBondContact O-N 2.81Å; Q107-L109 PolarHBondContact O-N 3.21Å; L109-L112 PolarHBondContact O-N 3.33Å; L109-Q113 HydrophobicContact CD1-CG 4.28Å; L109-Q113 WeakPolarHBondContact O-CB 3.49Å; L109-Q113 WeakPolarHBondContact O-CG 3.31Å; L109-Q113 PolarHBondContact O-N 3.42Å; L109-V122 HydrophobicContact CD1-CB 3.98Å; L109-V122 HydrophobicContact CD1-CG1 3.48Å; L109-V122 VanDerWaalsContact CD1-CG1 3.48Å; L109-V123 HydrophobicContact CD1-CG2 3.78Å; L109-V123 HydrophobicContact CD2-CG2 4.2Å; L109-L126 HydrophobicContact CB-CD1 4.12Å
110	Q	80.1	Confident	71	Confident	81 Å²	81	77.5 Å²	77.5	38%	0.379	44%	0.441	S	S	.	.	H	α-helix	trans	-64	-42.2	177.9	-74.8	177.1	-14.7	0	0	112.7	R106 Q107 L112 Q113 A114	R106-Q110 VanDerWaalsContact O-CG 3.31Å; R106-Q110 WeakPolarHBondContact O-CG 3.47Å; R106-Q110 PolarHBondContact O-N 2.99Å; R106-Q110 VanDerWaalsContact O-N 3.09Å; Q107-Q110 PolarHBondContact O-N 3.17Å; Q110-L112 VanDerWaalsContact C-N 3.32Å; Q110-L112 PolarHBondContact O-N 2.84Å; Q110-Q113 PolarHBondContact O-N 3.32Å; Q110-A114 VanDerWaalsContact O-CB 3.29Å; Q110-A114 WeakPolarHBondContact O-CB 3.34Å; Q110-A114 PolarHBondContact O-N 2.74Å
111	D	79.6	Confident	73.1	Confident	66 Å²	66	77 Å²	77	35%	0.353	42%	0.422	S	S	.	.	H	α-helix	trans	-63.9	-37.7	179.5	-58.7	-23.2	0	0	0	111.5	Q107 A115 I134	Q107-D111 PolarHBondContact NE2-OD1 3.11Å; Q107-D111 PolarHBondContact O-N 2.78Å; D111-A115 PolarHBondContact O-N 2.68Å; D111-A115 VanDerWaalsContact O-N 3.13Å; D111-I134 HydrophobicContact CB-CD1 4.11Å
112	L	80.3	Confident	75.3	Confident	1 Å²	1	71.5 Å²	71.5	1%	0.005	39%	0.388	C	S	.	.	H	α-helix	trans	-78.1	-34	177.4	-73.7	169.6	0	0	0	113.3	M108 L109 Q110 A115 G116 F117 V122 L126 I134 A137 I138	M108-L112 WeakPolarHBondContact O-CB 3.39Å; M108-L112 WeakPolarHBondContact O-CD1 3.49Å; M108-L112 VanDerWaalsContact O-CG 3.31Å; M108-L112 WeakPolarHBondContact O-CG 3.34Å; M108-L112 PolarHBondContact O-N 2.89Å; M108-L112 VanDerWaalsContact O-N 3.16Å; L109-L112 PolarHBondContact O-N 3.33Å; Q110-L112 VanDerWaalsContact C-N 3.32Å; Q110-L112 PolarHBondContact O-N 2.84Å; L112-A115 PolarHBondContact O-N 3.36Å; L112-G116 PolarHBondContact O-N 2.88Å; L112-F117 HydrophobicContact CD2-CD2 4.07Å; L112-F117 HydrophobicContact CD2-CE2 4.4Å; L112-F117 WeakPolarHBondContact O-CB 3.37Å; L112-F117 PolarHBondContact O-N 3.27Å; L112-F117 VanDerWaalsContact O-N 3.13Å; L112-V122 HydrophobicContact CB-CB 4.44Å; L112-V122 HydrophobicContact CB-CG1 3.66Å; L112-V122 HydrophobicContact CB-CG2 3.81Å; L112-V122 HydrophobicContact CD1-CG1 3.74Å; L112-V122 HydrophobicContact CG-CG1 4.34Å; L112-L126 HydrophobicContact CD1-CD1 4.4Å; L112-L126 HydrophobicContact CD1-CD2 4.33Å; L112-L126 HydrophobicContact CD1-CG 4.42Å; L112-I134 HydrophobicContact CD1-CG2 4.45Å; L112-I134 HydrophobicContact CD2-CG2 3.67Å; L112-I134 HydrophobicContact CG-CG2 4.02Å; L112-A137 HydrophobicContact CD1-CB 3.76Å; L112-I138 HydrophobicContact CD2-CD1 3.83Å; L112-I138 HydrophobicContact CD2-CG1 3.5Å; L112-I138 VanDerWaalsContact CD2-CG1 3.5Å
113	Q	78.3	Confident	77	Confident	60 Å²	60	69.9 Å²	69.9	28%	0.28	38%	0.376	S	S	.	.	H	α-helix	trans	-63.7	-42	169.3	-74.8	168.9	-14.4	0	0	111.2	L109 Q110 A115 G116 E119	L109-Q113 HydrophobicContact CD1-CG 4.28Å; L109-Q113 WeakPolarHBondContact O-CB 3.49Å; L109-Q113 WeakPolarHBondContact O-CG 3.31Å; L109-Q113 PolarHBondContact O-N 3.42Å; Q110-Q113 PolarHBondContact O-N 3.32Å; Q113-A115 PolarHBondContact O-N 3.2Å; Q113-G116 WeakPolarHBondContact O-CA 3.47Å; Q113-G116 PolarHBondContact O-N 2.82Å; Q113-E119 PolarHBondContact NE2-OE1 2.74Å
114	A	73.3	Confident	77.9	Confident	91 Å²	91	65.6 Å²	65.6	75%	0.752	36%	0.356	S	S	*	.	H	α-helix	trans	-64.8	-27.8	175	0	0	0	0	0	112.7	Q110 G116	Q110-A114 VanDerWaalsContact O-CB 3.29Å; Q110-A114 WeakPolarHBondContact O-CB 3.34Å; Q110-A114 PolarHBondContact O-N 2.74Å; A114-G116 PolarHBondContact O-N 2.9Å
115	A	74.6	Confident	78.5	Confident	54 Å²	54	64.2 Å²	64.2	45%	0.446	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	2	169.9	0	0	0	0	0	114.1	D111 L112 Q113 F117	D111-A115 PolarHBondContact O-N 2.68Å; D111-A115 VanDerWaalsContact O-N 3.13Å; L112-A115 PolarHBondContact O-N 3.36Å; Q113-A115 PolarHBondContact O-N 3.2Å; A115-F117 HydrophobicContact CB-CD2 4Å; A115-F117 HydrophobicContact CB-CE2 4.12Å
116	G	72.7	Confident	78.7	Confident	65 Å²	65	60.9 Å²	60.9	67%	0.67	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	14.1	175.3	0	0	0	0	0	115.4	L112 Q113 A114	L112-G116 PolarHBondContact O-N 2.88Å; Q113-G116 WeakPolarHBondContact O-CA 3.47Å; Q113-G116 PolarHBondContact O-N 2.82Å; A114-G116 PolarHBondContact O-N 2.9Å
117	F	76.7	Confident	78.7	Confident	59 Å²	59	56.7 Å²	56.7	26%	0.259	31%	0.314	S	S	.	.			trans	-82.9	147.7	174.1	-65.8	-75	0	0	0	112.3	L112 A115 V122 I138 I141	L112-F117 HydrophobicContact CD2-CD2 4.07Å; L112-F117 HydrophobicContact CD2-CE2 4.4Å; L112-F117 WeakPolarHBondContact O-CB 3.37Å; L112-F117 PolarHBondContact O-N 3.27Å; L112-F117 VanDerWaalsContact O-N 3.13Å; A115-F117 HydrophobicContact CB-CD2 4Å; A115-F117 HydrophobicContact CB-CE2 4.12Å; F117-V122 HydrophobicContact CB-CG2 3.48Å; F117-V122 VanDerWaalsContact CB-CG2 3.48Å; F117-I138 HydrophobicContact CE2-CD1 4.44Å; F117-I138 HydrophobicContact CE2-CG1 4.1Å; F117-I138 HydrophobicContact CZ-CG1 4.43Å; F117-I138 HydrophobicContact CZ-CG2 4.26Å; F117-I141 HydrophobicContact CB-CD1 4.38Å; F117-I141 HydrophobicContact CD1-CD1 4.37Å; F117-I141 HydrophobicContact CD1-CG2 3.82Å; F117-I141 HydrophobicContact CE1-CG2 4.07Å; F117-I141 HydrophobicContact CG-CD1 4.32Å
118	D	81.7	Confident	78.8	Confident	60 Å²	60	57.6 Å²	57.6	32%	0.321	32%	0.318	S	S	.	.			trans	-68.2	130.9	-175	-151.4	-70.3	0	0	0	111.6	D120 M121 V122 R151	D118-D120 PolarHBondContact O-N 2.8Å; D118-M121 HydrophobicContact CB-CB 4.12Å; D118-M121 HydrophobicContact CB-CG 3.97Å; D118-M121 HydrophobicContact CB-SD 4.17Å; D118-M121 PolarHBondContact O-N 3.43Å; D118-M121 VanDerWaalsContact O-N 3.09Å; D118-V122 WeakPolarHBondContact O-CG2 3.38Å; D118-V122 PolarHBondContact O-N 2.65Å; D118-R151 IonicContact OD2-CZ 3.04Å; D118-R151 IonicContact OD2-NH1 3.73Å; D118-R151 PolarHBondContact OD2-NH1 2.92Å; D118-R151 IonicContact OD2-NH2 3.76Å; D118-R151 PolarHBondContact OD2-NH2 3.38Å
119	E	76.7	Confident	78.8	Confident	113 Å²	113	58.1 Å²	58.1	53%	0.528	32%	0.322	S	S	.	.	H	α-helix	trans	-57.4	-45.9	-169.5	172.8	156.2	-136.8	0	0	112.6	Q113 M121 V122 V123	Q113-E119 PolarHBondContact NE2-OE1 2.74Å; E119-M121 PolarHBondContact O-N 3.27Å; E119-V122 PolarHBondContact O-N 2.83Å; E119-V123 HydrophobicContact CG-CG2 4.43Å; E119-V123 WeakPolarHBondContact O-CB 3.16Å; E119-V123 WeakPolarHBondContact O-CG2 3.31Å; E119-V123 PolarHBondContact O-N 3.35Å
120	D	78.2	Confident	78.7	Confident	125 Å²	125	62.9 Å²	62.9	67%	0.668	35%	0.348	S	S	*	.	H	α-helix	trans	-66	-37.9	178.9	-78.1	-41.3	0	0	0	112.1	D118 Q124	D118-D120 PolarHBondContact O-N 2.8Å; D120-Q124 VanDerWaalsContact O-CB 3.28Å; D120-Q124 WeakPolarHBondContact O-CB 3.23Å; D120-Q124 PolarHBondContact O-N 2.9Å
121	M	77.2	Confident	78.7	Confident	53 Å²	53	61.2 Å²	61.2	26%	0.261	34%	0.342	S	S	.	.	H	α-helix	trans	-66.3	-39.9	175.3	-65.7	-169.4	78.6	0	0	111.7	D118 E119 Q124 A125 I141 M144	D118-M121 HydrophobicContact CB-CB 4.12Å; D118-M121 HydrophobicContact CB-CG 3.97Å; D118-M121 HydrophobicContact CB-SD 4.17Å; D118-M121 PolarHBondContact O-N 3.43Å; D118-M121 VanDerWaalsContact O-N 3.09Å; E119-M121 PolarHBondContact O-N 3.27Å; M121-Q124 PolarHBondContact O-N 3.15Å; M121-A125 VanDerWaalsContact O-CB 3.23Å; M121-A125 WeakPolarHBondContact O-CB 3.28Å; M121-A125 PolarHBondContact O-N 3.25Å; M121-I141 HydrophobicContact CE-CG2 4.07Å; M121-M144 HydrophobicContact CE-CB 4.15Å
122	V	80.9	Confident	78.5	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-67.9	-44.7	177	175.7	0	0	0	0	110.9	L109 L112 F117 D118 E119 Q124 A125 L126 I141	L109-V122 HydrophobicContact CD1-CB 3.98Å; L109-V122 HydrophobicContact CD1-CG1 3.48Å; L109-V122 VanDerWaalsContact CD1-CG1 3.48Å; L112-V122 HydrophobicContact CB-CB 4.44Å; L112-V122 HydrophobicContact CB-CG1 3.66Å; L112-V122 HydrophobicContact CB-CG2 3.81Å; L112-V122 HydrophobicContact CD1-CG1 3.74Å; L112-V122 HydrophobicContact CG-CG1 4.34Å; F117-V122 HydrophobicContact CB-CG2 3.48Å; F117-V122 VanDerWaalsContact CB-CG2 3.48Å; D118-V122 WeakPolarHBondContact O-CG2 3.38Å; D118-V122 PolarHBondContact O-N 2.65Å; E119-V122 PolarHBondContact O-N 2.83Å; V122-Q124 VanDerWaalsContact C-N 3.34Å; V122-Q124 PolarHBondContact O-N 3.06Å; V122-A125 PolarHBondContact O-N 2.83Å; V122-L126 HydrophobicContact CG1-CD1 3.7Å; V122-L126 HydrophobicContact CG1-CG 4.25Å; V122-L126 WeakPolarHBondContact O-CB 3.47Å; V122-L126 WeakPolarHBondContact O-CG 3.29Å; V122-L126 PolarHBondContact O-N 3.23Å; V122-I141 HydrophobicContact CG2-CD1 3.91Å
123	V	80.4	Confident	78.6	Confident	33 Å²	33	70.1 Å²	70.1	20%	0.2	38%	0.376	C	S	.	.	H	α-helix	trans	-59.2	-44.5	173.9	166.6	0	0	0	0	110.8	V104 L109 E119 R127	V104-V123 HydrophobicContact CG2-CG1 4.27Å; L109-V123 HydrophobicContact CD1-CG2 3.78Å; L109-V123 HydrophobicContact CD2-CG2 4.2Å; E119-V123 HydrophobicContact CG-CG2 4.43Å; E119-V123 WeakPolarHBondContact O-CB 3.16Å; E119-V123 WeakPolarHBondContact O-CG2 3.31Å; E119-V123 PolarHBondContact O-N 3.35Å; V123-R127 WeakPolarHBondContact O-CB 3.31Å; V123-R127 WeakPolarHBondContact O-CG 3.23Å; V123-R127 PolarHBondContact O-N 3.04Å
124	Q	78.8	Confident	78.5	Confident	86 Å²	86	69.7 Å²	69.7	40%	0.402	38%	0.375	S	S	.	.	H	α-helix	trans	-65.2	-42.3	176.9	-178.2	167.3	-7.1	0	0	112.3	D120 M121 V122 R127 Q128 M144	D120-Q124 VanDerWaalsContact O-CB 3.28Å; D120-Q124 WeakPolarHBondContact O-CB 3.23Å; D120-Q124 PolarHBondContact O-N 2.9Å; M121-Q124 PolarHBondContact O-N 3.15Å; V122-Q124 VanDerWaalsContact C-N 3.34Å; V122-Q124 PolarHBondContact O-N 3.06Å; Q124-R127 PolarHBondContact O-N 3.19Å; Q124-Q128 WeakPolarHBondContact O-CB 3.36Å; Q124-Q128 VanDerWaalsContact O-CG 3.32Å; Q124-Q128 WeakPolarHBondContact O-CG 3.32Å; Q124-Q128 PolarHBondContact O-N 3.47Å; Q124-M144 HydrophobicContact CG-SD 4.42Å
125	A	82.5	Confident	78.9	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-68	-42.1	179	0	0	0	0	0	112.8	M121 V122 Q128 T129 A137 F140 I141	M121-A125 VanDerWaalsContact O-CB 3.23Å; M121-A125 WeakPolarHBondContact O-CB 3.28Å; M121-A125 PolarHBondContact O-N 3.25Å; V122-A125 PolarHBondContact O-N 2.83Å; A125-Q128 PolarHBondContact O-N 2.77Å; A125-T129 WeakPolarHBondContact O-CB 3.28Å; A125-T129 WeakPolarHBondContact O-CG2 3.49Å; A125-T129 PolarHBondContact O-N 2.93Å; A125-T129 PolarHBondContact O-OG1 3.18Å; A125-A137 HydrophobicContact CB-CB 4.19Å; A125-F140 HydrophobicContact CB-CB 4.32Å; A125-F140 HydrophobicContact CB-CD1 3.74Å; A125-F140 HydrophobicContact CB-CG 4.42Å; A125-I141 HydrophobicContact CB-CD1 4.05Å; A125-I141 HydrophobicContact CB-CG1 3.61Å
126	L	82.6	Confident	79.2	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-69.2	-33.4	176	-69.9	172.6	0	0	0	111.9	V104 M108 L109 L112 V122 N130 N131 A137	V104-L126 HydrophobicContact CG1-CB 3.64Å; V104-L126 HydrophobicContact CG1-CD1 3.45Å; V104-L126 VanDerWaalsContact CG1-CD1 3.45Å; V104-L126 HydrophobicContact CG1-CG 4.19Å; V104-L126 HydrophobicContact CG2-CB 4.39Å; M108-L126 HydrophobicContact CB-CD1 4.02Å; M108-L126 HydrophobicContact CB-CD2 3.98Å; M108-L126 HydrophobicContact CE-CD2 3.69Å; M108-L126 HydrophobicContact SD-CD2 4.31Å; L109-L126 HydrophobicContact CB-CD1 4.12Å; L112-L126 HydrophobicContact CD1-CD1 4.4Å; L112-L126 HydrophobicContact CD1-CD2 4.33Å; L112-L126 HydrophobicContact CD1-CG 4.42Å; V122-L126 HydrophobicContact CG1-CD1 3.7Å; V122-L126 HydrophobicContact CG1-CG 4.25Å; V122-L126 WeakPolarHBondContact O-CB 3.47Å; V122-L126 WeakPolarHBondContact O-CG 3.29Å; V122-L126 PolarHBondContact O-N 3.23Å; L126-N130 CarbonylContact O-C 3.48Å; L126-N130 WeakPolarHBondContact O-CA 3.34Å; L126-N130 PolarHBondContact O-N 3.32Å; L126-N131 PolarHBondContact O-N 3.08Å; L126-A137 HydrophobicContact CD2-CB 3.85Å; L126-A137 HydrophobicContact CG-CB 4.35Å
127	R	78.7	Confident	79.6	Confident	97 Å²	97	67.1 Å²	67.1	37%	0.366	33%	0.325	S	S	.	.	H	α-helix	trans	-62.6	-48.6	168.7	-76.4	173.8	179.7	-65.7	-9.4	112.2	S102 V104 V123 Q124 N130	S102-R127 PolarHBondContact O-NH1 3.05Å; S102-R127 PolarHBondContact O-NH2 3.34Å; S102-R127 PolarHBondContact OG-NH1 3.43Å; S102-R127 VanDerWaalsContact OG-NH1 3.14Å; V104-R127 HydrophobicContact CG2-CG 3.71Å; V123-R127 WeakPolarHBondContact O-CB 3.31Å; V123-R127 WeakPolarHBondContact O-CG 3.23Å; V123-R127 PolarHBondContact O-N 3.04Å; Q124-R127 PolarHBondContact O-N 3.19Å; R127-N130 PolarHBondContact O-N 2.83Å
128	Q	78.7	Confident	79.7	Confident	127 Å²	127	67.4 Å²	67.4	59%	0.593	33%	0.329	S	S	*	.	H	α-helix	trans	-71.4	-38.5	-176.8	-75.9	-78.1	6.4	0	0	113.2	Q124 A125 N130 F140	Q124-Q128 WeakPolarHBondContact O-CB 3.36Å; Q124-Q128 VanDerWaalsContact O-CG 3.32Å; Q124-Q128 WeakPolarHBondContact O-CG 3.32Å; Q124-Q128 PolarHBondContact O-N 3.47Å; A125-Q128 PolarHBondContact O-N 2.77Å; Q128-N130 PolarHBondContact O-N 2.77Å; Q128-F140 HydrophobicContact CB-CD1 4.39Å; Q128-F140 HydrophobicContact CB-CD2 4.38Å; Q128-F140 HydrophobicContact CB-CE1 3.81Å; Q128-F140 HydrophobicContact CB-CE2 3.81Å; Q128-F140 HydrophobicContact CB-CZ 3.5Å; Q128-F140 HydrophobicContact CG-CE1 3.86Å; Q128-F140 HydrophobicContact CG-CE2 4.24Å; Q128-F140 HydrophobicContact CG-CZ 3.51Å
129	T	79.3	Confident	79.7	Confident	26 Å²	26	69.9 Å²	69.9	16%	0.16	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-3.8	173.6	60.8	0	0	0	0	113.1	A125 N131 R132 A136 F140	A125-T129 WeakPolarHBondContact O-CB 3.28Å; A125-T129 WeakPolarHBondContact O-CG2 3.49Å; A125-T129 PolarHBondContact O-N 2.93Å; A125-T129 PolarHBondContact O-OG1 3.18Å; T129-N131 VanDerWaalsContact C-N 3.34Å; T129-N131 PolarHBondContact O-N 2.83Å; T129-R132 WeakPolarHBondContact O-CB 3.39Å; T129-R132 PolarHBondContact O-N 2.74Å; T129-A136 HydrophobicContact CG2-CB 4.2Å; T129-A136 WeakPolarHBondContact CG2-O 3.47Å; T129-F140 HydrophobicContact CG2-CB 4.11Å; T129-F140 HydrophobicContact CG2-CG 4.46Å
130	N	80.6	Confident	79.9	Confident	123 Å²	123	67.3 Å²	67.3	66%	0.658	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	48.9	-176.5	-166.3	81.7	0	0	0	112.6	L126 R127 Q128 R132	L126-N130 CarbonylContact O-C 3.48Å; L126-N130 WeakPolarHBondContact O-CA 3.34Å; L126-N130 PolarHBondContact O-N 3.32Å; R127-N130 PolarHBondContact O-N 2.83Å; Q128-N130 PolarHBondContact O-N 2.77Å; N130-R132 PolarHBondContact O-N 2.71Å
131	N	82.1	Confident	80	Confident	47 Å²	47	61.8 Å²	61.8	25%	0.251	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	29.6	179.7	-54.3	-65.2	0	0	0	114.6	E103 N105 M108 L126 T129	E103-N131 PolarHBondContact O-ND2 3.21Å; N105-N131 HydrophobicContact CB-CB 4.07Å; N105-N131 PolarHBondContact N-OD1 3.49Å; M108-N131 HydrophobicContact SD-CB 4.3Å; L126-N131 PolarHBondContact O-N 3.08Å; T129-N131 VanDerWaalsContact C-N 3.34Å; T129-N131 PolarHBondContact O-N 2.83Å
132	R	74	Confident	79.8	Confident	217 Å²	217	62.4 Å²	62.4	82%	0.819	31%	0.305	S	S	*	.			trans	-72.6	-42	-167.5	-177.9	176.6	-178.9	-166.5	-2.1	115.2	T129 N130	T129-R132 WeakPolarHBondContact O-CB 3.39Å; T129-R132 PolarHBondContact O-N 2.74Å; N130-R132 PolarHBondContact O-N 2.71Å
133	S	82.7	Confident	79.4	Confident	37 Å²	37	68.9 Å²	68.9	26%	0.259	33%	0.334	S	S	.	.			trans	-165.1	165.7	170.1	90.1	0	0	0	0	110.4	M108 E135 A136 A137	M108-S133 WeakPolarHBondContact CE-O 3.31Å; S133-E135 WeakPolarHBondContact CB-OE2 3.48Å; S133-E135 PolarHBondContact OG-N 3.13Å; S133-E135 PolarHBondContact OG-OE2 3.46Å; S133-A136 WeakPolarHBondContact OG-CB 3.36Å; S133-A136 PolarHBondContact OG-N 2.83Å; S133-A136 VanDerWaalsContact OG-N 3.15Å; S133-A137 PolarHBondContact O-N 3.44Å
134	I	76.2	Confident	78.5	Confident	51 Å²	51	71 Å²	71	26%	0.262	34%	0.342	S	S	.	.	H	α-helix	trans	-71.5	-40.6	-179.3	-66.3	-178.3	0	0	0	109.9	M108 D111 L112 A136 A137 I138	M108-I134 HydrophobicContact CB-CG1 4.28Å; M108-I134 HydrophobicContact CE-CG1 3.89Å; M108-I134 HydrophobicContact CG-CD1 4.46Å; M108-I134 HydrophobicContact CG-CG1 4.05Å; D111-I134 HydrophobicContact CB-CD1 4.11Å; L112-I134 HydrophobicContact CD1-CG2 4.45Å; L112-I134 HydrophobicContact CD2-CG2 3.67Å; L112-I134 HydrophobicContact CG-CG2 4.02Å; I134-A136 PolarHBondContact O-N 3.48Å; I134-A137 WeakPolarHBondContact O-CB 3.46Å; I134-A137 PolarHBondContact O-N 3.44Å; I134-A137 VanDerWaalsContact O-N 3.15Å; I134-I138 HydrophobicContact CG2-CD1 4.05Å; I134-I138 WeakPolarHBondContact O-CG1 3.41Å; I134-I138 PolarHBondContact O-N 2.9Å
135	E	81.4	Confident	77.3	Confident	130 Å²	130	69.8 Å²	69.8	61%	0.607	34%	0.343	S	S	*	.	H	α-helix	trans	-63.7	-40.6	178.8	-46.9	73.6	-161.6	0	0	111.3	S133 A137 I138 E139	S133-E135 WeakPolarHBondContact CB-OE2 3.48Å; S133-E135 PolarHBondContact OG-N 3.13Å; S133-E135 PolarHBondContact OG-OE2 3.46Å; E135-A137 VanDerWaalsContact C-N 3.3Å; E135-A137 PolarHBondContact O-N 3.04Å; E135-I138 PolarHBondContact O-N 3.04Å; E135-E139 WeakPolarHBondContact O-CB 3.44Å; E135-E139 PolarHBondContact O-N 3Å
136	A	81.8	Confident	75.5	Confident	25 Å²	25	79.7 Å²	79.7	21%	0.207	38%	0.382	C	S	.	.	H	α-helix	trans	-63.8	-35.2	175.5	0	0	0	0	0	112.2	T129 S133 I134 F140	T129-A136 HydrophobicContact CG2-CB 4.2Å; T129-A136 WeakPolarHBondContact CG2-O 3.47Å; S133-A136 WeakPolarHBondContact OG-CB 3.36Å; S133-A136 PolarHBondContact OG-N 2.83Å; S133-A136 VanDerWaalsContact OG-N 3.15Å; I134-A136 PolarHBondContact O-N 3.48Å; A136-F140 WeakPolarHBondContact O-CB 3.23Å; A136-F140 PolarHBondContact O-N 3.37Å; A136-F140 VanDerWaalsContact O-N 3.09Å
137	A	80.4	Confident	73.9	Confident	0 Å²	0	88.6 Å²	88.6	0%	0	42%	0.423	C	S	.	.	H	α-helix	trans	-70	-42.6	174.3	0	0	0	0	0	111.5	L112 A125 L126 S133 I134 E135 E139 F140 I141	L112-A137 HydrophobicContact CD1-CB 3.76Å; A125-A137 HydrophobicContact CB-CB 4.19Å; L126-A137 HydrophobicContact CD2-CB 3.85Å; L126-A137 HydrophobicContact CG-CB 4.35Å; S133-A137 PolarHBondContact O-N 3.44Å; I134-A137 WeakPolarHBondContact O-CB 3.46Å; I134-A137 PolarHBondContact O-N 3.44Å; I134-A137 VanDerWaalsContact O-N 3.15Å; E135-A137 VanDerWaalsContact C-N 3.3Å; E135-A137 PolarHBondContact O-N 3.04Å; A137-E139 PolarHBondContact O-N 3.19Å; A137-F140 PolarHBondContact O-N 2.77Å; A137-I141 VanDerWaalsContact O-CG1 3.27Å; A137-I141 WeakPolarHBondContact O-CG1 3.34Å; A137-I141 PolarHBondContact O-N 3.44Å
138	I	79.5	Confident	72	Confident	66 Å²	66	88.9 Å²	88.9	34%	0.338	43%	0.432	S	S	.	.	H	α-helix	trans	-61	-43.7	174.3	-65.3	167.8	0	0	0	111	L112 F117 I134 E135 F140 I141 S142	L112-I138 HydrophobicContact CD2-CD1 3.83Å; L112-I138 HydrophobicContact CD2-CG1 3.5Å; L112-I138 VanDerWaalsContact CD2-CG1 3.5Å; F117-I138 HydrophobicContact CE2-CD1 4.44Å; F117-I138 HydrophobicContact CE2-CG1 4.1Å; F117-I138 HydrophobicContact CZ-CG1 4.43Å; F117-I138 HydrophobicContact CZ-CG2 4.26Å; I134-I138 HydrophobicContact CG2-CD1 4.05Å; I134-I138 WeakPolarHBondContact O-CG1 3.41Å; I134-I138 PolarHBondContact O-N 2.9Å; E135-I138 PolarHBondContact O-N 3.04Å; I138-F140 VanDerWaalsContact C-N 3.28Å; I138-F140 PolarHBondContact O-N 3.13Å; I138-I141 PolarHBondContact O-N 2.93Å; I138-S142 VanDerWaalsContact O-CB 3.27Å; I138-S142 WeakPolarHBondContact O-CB 3.3Å; I138-S142 PolarHBondContact O-N 3.42Å
139	E	81.8	Confident	70.2	Confident	111 Å²	111	88.4 Å²	88.4	52%	0.519	44%	0.44	S	S	.	.	H	α-helix	trans	-62.2	-37.1	176.8	-163.3	-166.8	169.5	0	0	111.6	E135 A137 K143	E135-E139 WeakPolarHBondContact O-CB 3.44Å; E135-E139 PolarHBondContact O-N 3Å; A137-E139 PolarHBondContact O-N 3.19Å; E139-K143 VanDerWaalsContact O-CG 3.31Å; E139-K143 WeakPolarHBondContact O-CG 3.48Å; E139-K143 PolarHBondContact O-N 3.17Å; E139-K143 VanDerWaalsContact O-N 3.09Å; E139-K143 WeakPolarHBondContact OE1-CE 3.27Å; E139-K143 IonicContact OE1-NZ 2.78Å; E139-K143 PolarHBondContact OE1-NZ 3.05Å
140	F	80.4	Confident	68.6	Low	60 Å²	60	97.9 Å²	97.9	26%	0.263	47%	0.473	S	S	.	.	H	α-helix	trans	-70.4	-44	175.9	-168.5	-90.3	0	0	0	112.5	A125 Q128 T129 A136 A137 I138 K143 M144	A125-F140 HydrophobicContact CB-CB 4.32Å; A125-F140 HydrophobicContact CB-CD1 3.74Å; A125-F140 HydrophobicContact CB-CG 4.42Å; Q128-F140 HydrophobicContact CB-CD1 4.39Å; Q128-F140 HydrophobicContact CB-CD2 4.38Å; Q128-F140 HydrophobicContact CB-CE1 3.81Å; Q128-F140 HydrophobicContact CB-CE2 3.81Å; Q128-F140 HydrophobicContact CB-CZ 3.5Å; Q128-F140 HydrophobicContact CG-CE1 3.86Å; Q128-F140 HydrophobicContact CG-CE2 4.24Å; Q128-F140 HydrophobicContact CG-CZ 3.51Å; T129-F140 HydrophobicContact CG2-CB 4.11Å; T129-F140 HydrophobicContact CG2-CG 4.46Å; A136-F140 WeakPolarHBondContact O-CB 3.23Å; A136-F140 PolarHBondContact O-N 3.37Å; A136-F140 VanDerWaalsContact O-N 3.09Å; A137-F140 PolarHBondContact O-N 2.77Å; I138-F140 VanDerWaalsContact C-N 3.28Å; I138-F140 PolarHBondContact O-N 3.13Å; F140-K143 PolarHBondContact O-N 2.93Å; F140-M144 HydrophobicContact CD1-CG 4.3Å; F140-M144 HydrophobicContact CD1-SD 4.09Å; F140-M144 HydrophobicContact CE1-CG 3.99Å; F140-M144 HydrophobicContact CE1-SD 3.46Å; F140-M144 WeakPolarHBondContact CE1-SD 3.27Å; F140-M144 HydrophobicContact CZ-SD 4.23Å; F140-M144 PolarHBondContact O-N 3.47Å
141	I	79.9	Confident	66.9	Low	8 Å²	8	97.8 Å²	97.8	4%	0.041	46%	0.464	C	S	.	.	H	α-helix	trans	-60.3	-46.1	174.7	-68.3	165	0	0	0	110.4	F117 M121 V122 A125 A137 I138 K143 M144 S145	F117-I141 HydrophobicContact CB-CD1 4.38Å; F117-I141 HydrophobicContact CD1-CD1 4.37Å; F117-I141 HydrophobicContact CD1-CG2 3.82Å; F117-I141 HydrophobicContact CE1-CG2 4.07Å; F117-I141 HydrophobicContact CG-CD1 4.32Å; M121-I141 HydrophobicContact CE-CG2 4.07Å; V122-I141 HydrophobicContact CG2-CD1 3.91Å; A125-I141 HydrophobicContact CB-CD1 4.05Å; A125-I141 HydrophobicContact CB-CG1 3.61Å; A137-I141 VanDerWaalsContact O-CG1 3.27Å; A137-I141 WeakPolarHBondContact O-CG1 3.34Å; A137-I141 PolarHBondContact O-N 3.44Å; I138-I141 PolarHBondContact O-N 2.93Å; I141-K143 VanDerWaalsContact C-N 3.34Å; I141-K143 PolarHBondContact O-N 3.29Å; I141-M144 PolarHBondContact O-N 3.06Å; I141-M144 VanDerWaalsContact O-N 3.1Å; I141-S145 PolarHBondContact O-N 2.82Å
142	S	73.3	Confident	65.1	Low	67 Å²	67	103.2 Å²	103.2	47%	0.469	49%	0.487	S	S	.	.	H	α-helix	trans	-56.8	-45.7	176.2	-179.3	0	0	0	0	111.7	I138 M144 S145	I138-S142 VanDerWaalsContact O-CB 3.27Å; I138-S142 WeakPolarHBondContact O-CB 3.3Å; I138-S142 PolarHBondContact O-N 3.42Å; S142-M144 VanDerWaalsContact C-N 3.33Å; S142-M144 PolarHBondContact O-N 3.06Å; S142-S145 PolarHBondContact O-N 3.35Å
143	K	73.4	Confident	63.6	Low	136 Å²	136	101.3 Å²	101.3	59%	0.591	49%	0.488	S	S	*	.	H	α-helix	trans	-68.5	-26.6	176.2	-72.5	171.6	-173.7	173.7	0	114	E139 F140 I141	E139-K143 VanDerWaalsContact O-CG 3.31Å; E139-K143 WeakPolarHBondContact O-CG 3.48Å; E139-K143 PolarHBondContact O-N 3.17Å; E139-K143 VanDerWaalsContact O-N 3.09Å; E139-K143 WeakPolarHBondContact OE1-CE 3.27Å; E139-K143 IonicContact OE1-NZ 2.78Å; E139-K143 PolarHBondContact OE1-NZ 3.05Å; F140-K143 PolarHBondContact O-N 2.93Å; I141-K143 VanDerWaalsContact C-N 3.34Å; I141-K143 PolarHBondContact O-N 3.29Å
144	M	60.4	Low	61.6	Low	78 Å²	78	105.7 Å²	105.7	38%	0.384	51%	0.506	S	S	.	.	H	α-helix	trans	-77.6	-26.5	171.8	-76.9	-163.9	68.5	0	0	113.6	M121 Q124 F140 I141 S142 Y146	M121-M144 HydrophobicContact CE-CB 4.15Å; Q124-M144 HydrophobicContact CG-SD 4.42Å; F140-M144 HydrophobicContact CD1-CG 4.3Å; F140-M144 HydrophobicContact CD1-SD 4.09Å; F140-M144 HydrophobicContact CE1-CG 3.99Å; F140-M144 HydrophobicContact CE1-SD 3.46Å; F140-M144 WeakPolarHBondContact CE1-SD 3.27Å; F140-M144 HydrophobicContact CZ-SD 4.23Å; F140-M144 PolarHBondContact O-N 3.47Å; I141-M144 PolarHBondContact O-N 3.06Å; I141-M144 VanDerWaalsContact O-N 3.1Å; S142-M144 VanDerWaalsContact C-N 3.33Å; S142-M144 PolarHBondContact O-N 3.06Å; M144-Y146 PolarHBondContact O-N 2.89Å; M144-Y146 VanDerWaalsContact O-N 3.17Å
145	S	53	Low	60.2	Low	59 Å²	59	107.9 Å²	107.9	41%	0.413	52%	0.521	S	S	.	.			trans	-74.1	-2.3	-173.5	-165.3	0	0	0	0	115	I141 S142 Q147	I141-S145 PolarHBondContact O-N 2.82Å; S142-S145 PolarHBondContact O-N 3.35Å; S145-Q147 PolarHBondContact O-N 2.96Å
146	Y	46.4	Very low	58.4	Low	208 Å²	208	105.2 Å²	105.2	82%	0.816	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	22.6	-173.2	-100	-90.9	0	0	0	115.7	M144	M144-Y146 PolarHBondContact O-N 2.89Å; M144-Y146 VanDerWaalsContact O-N 3.17Å
147	Q	47.4	Very low	56.3	Low	187 Å²	187	108 Å²	108	87%	0.874	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.9	-2.1	-176.8	-67.9	-164.5	-4.5	0	0	116.6	S145	S145-Q147 PolarHBondContact O-N 2.96Å
148	D	38.8	Very low	54.5	Low	104 Å²	104	112 Å²	112	56%	0.556	58%	0.578	S	S	*	*			trans	-136.1	113.9	172.5	-168.5	-28.3	0	0	0	112.1	R150	D148-R150 PolarHBondContact O-N 2.82Å; D148-R150 WeakPolarHBondContact OD1-CB 3.22Å; D148-R150 PolarHBondContact OD1-N 3.36Å
149	P	42.3	Very low	52.8	Low	117 Å²	117	112.8 Å²	112.8	76%	0.76	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-3.8	179.8	-23.4	34.6	0	0	0	116.6
150	R	45	Very low	50.7	Low	225 Å²	225	118 Å²	118	85%	0.849	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-8.8	-171.6	-75.7	-175.1	167.2	179.7	-2.9	117.2	D148	D148-R150 PolarHBondContact O-N 2.82Å; D148-R150 WeakPolarHBondContact OD1-CB 3.22Å; D148-R150 PolarHBondContact OD1-N 3.36Å
151	R	45.8	Very low	48.7	Very low	121 Å²	121	121.4 Å²	121.4	46%	0.457	64%	0.637	S	S	.	*	S	Bend	trans	-90.8	-10.5	175.6	-86	-159.7	-177.9	-156.6	10.3	115.3	D118 Q153 M154	D118-R151 IonicContact OD2-CZ 3.04Å; D118-R151 IonicContact OD2-NH1 3.73Å; D118-R151 PolarHBondContact OD2-NH1 2.92Å; D118-R151 IonicContact OD2-NH2 3.76Å; D118-R151 PolarHBondContact OD2-NH2 3.38Å; R151-Q153 PolarHBondContact O-N 2.89Å; R151-Q153 VanDerWaalsContact O-N 3.09Å; R151-M154 HydrophobicContact CG-CE 4.21Å; R151-M154 PolarHBondContact O-N 3.42Å; R151-M154 VanDerWaalsContact O-N 3.12Å
152	E	44.3	Very low	46.5	Very low	160 Å²	160	127.4 Å²	127.4	75%	0.748	67%	0.673	S	S	*	*	H	α-helix	trans	-59.3	-27.8	-173.7	-157.7	167.9	-139.7	0	0	113.5	M154	E152-M154 PolarHBondContact O-N 3.2Å
153	Q	41.3	Very low	44.5	Very low	177 Å²	177	132.1 Å²	132.1	83%	0.827	69%	0.693	S	S	*	*	H	α-helix	trans	-77	-15.8	-178.8	-155	166.6	45	0	0	114.7	R151	R151-Q153 PolarHBondContact O-N 2.89Å; R151-Q153 VanDerWaalsContact O-N 3.09Å
154	M	41.9	Very low	42.6	Very low	130 Å²	130	130.6 Å²	130.6	64%	0.64	71%	0.706	S	S	*	*	H	α-helix	trans	-88.7	-37.4	174.6	-79.1	-173.1	-79.1	0	0	112.8	R151 E152 A156 A157	R151-M154 HydrophobicContact CG-CE 4.21Å; R151-M154 PolarHBondContact O-N 3.42Å; R151-M154 VanDerWaalsContact O-N 3.12Å; E152-M154 PolarHBondContact O-N 3.2Å; M154-A156 PolarHBondContact O-N 3.05Å; M154-A157 WeakPolarHBondContact O-CB 3.41Å; M154-A157 PolarHBondContact O-N 2.96Å
155	V	46.1	Very low	41.2	Very low	97 Å²	97	130.5 Å²	130.5	59%	0.588	73%	0.725	S	S	*	*	H	α-helix	trans	-63.4	-33.8	179.2	-176.5	0	0	0	0	111.2	A157 A158	V155-A157 PolarHBondContact O-N 3.46Å; V155-A158 PolarHBondContact O-N 2.82Å
156	A	44.3	Very low	40.1	Very low	74 Å²	74	136.5 Å²	136.5	61%	0.612	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-16	175.4	0	0	0	0	0	114.8	M154	M154-A156 PolarHBondContact O-N 3.05Å
157	A	37.8	Very low	39.4	Very low	83 Å²	83	135.7 Å²	135.7	69%	0.686	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-25.7	-177.6	0	0	0	0	0	113.9	M154 V155	M154-A157 WeakPolarHBondContact O-CB 3.41Å; M154-A157 PolarHBondContact O-N 2.96Å; V155-A157 PolarHBondContact O-N 3.46Å
158	A	41.9	Very low	39	Very low	85 Å²	85	132.4 Å²	132.4	70%	0.702	74%	0.744	S	S	*	*	S	Bend	trans	-81.9	-11.3	-176.2	0	0	0	0	0	114.3	V155	V155-A158 PolarHBondContact O-N 2.82Å
159	A	44.1	Very low	39.2	Very low	81 Å²	81	133.6 Å²	133.6	67%	0.669	76%	0.758	S	S	*	*	S	Bend	trans	-111.7	42.9	-164.7	0	0	0	0	0	114.8
160	R	36.7	Very low	38.5	Very low	222 Å²	222	131.9 Å²	131.9	84%	0.838	76%	0.761	S	S	*	*			trans	-139.9	135.5	169.5	-72.5	-169.6	172.8	165.9	-0.1	113.2
161	P	38.9	Very low	37.7	Very low	131 Å²	131	124.9 Å²	124.9	85%	0.851	76%	0.759	S	S	*	*			trans	-77.5	154.3	176.1	32.9	-35.3	0	0	0	112.2
162	V	33.1	Very low	36.7	Very low	133 Å²	133	125.6 Å²	125.6	81%	0.806	78%	0.777	S	S	*	*			trans	-99	122.9	179.1	176.6	0	0	0	0	110.9
163	N	32.5	Very low	36	Very low	166 Å²	166	123.5 Å²	123.5	89%	0.888	78%	0.775	S	S	*	*			trans	-166	163.8	138.3	-104.8	-42.5	0	0	0	111.8
164	A	33	Very low	35.3	Very low	105 Å²	105	122.6 Å²	122.6	87%	0.868	77%	0.771	S	S	*	*			trans	-103.6	156.2	-153	0	0	0	0	0	116.9
165	G	29.8	Very low	34.7	Very low	76 Å²	76	124.6 Å²	124.6	78%	0.784	78%	0.779	S	S	*	*			trans	-169.7	152	170	0	0	0	0	0	110
166	M	31.6	Very low	34	Very low	184 Å²	184	124.3 Å²	124.3	91%	0.906	78%	0.781	S	S	*	*			trans	-133.7	156.6	-163.7	-103	-160.2	171.4	0	0	116.2
167	K	31.1	Very low	33.3	Very low	192 Å²	192	125.9 Å²	125.9	84%	0.835	78%	0.783	S	S	*	*			trans	82.7	154.6	158.9	-78.7	-175.4	176.1	-178.7	0	118.9
168	P	39.5	Very low	32.9	Very low	117 Å²	117	129.4 Å²	129.4	76%	0.76	78%	0.784	S	S	*	*			trans	-133.3	-145.4	-137.9	40.2	-15.8	0	0	0	113.4
169	P	41.3	Very low	32.2	Very low	130 Å²	130	135.4 Å²	135.4	84%	0.844	79%	0.789	S	S	*	*				-128.3	164.5	-103.9	39.9	-21.5	0	0	0	116.9
170	G	27.6	Very low	31.6	Very low	80 Å²	80	141.3 Å²	141.3	83%	0.825	79%	0.794	S	S	*	*			trans	161.6	147.1	167.9	0	0	0	0	0	110.9
171	G	28.1	Very low	31.2	Very low	78 Å²	78	138.2 Å²	138.2	80%	0.804	79%	0.789	S	S	*	*			cis	-164.2	162.6	-4	0	0	0	0	0	113.2
172	T	25.2	Very low	30.8	Very low	137 Å²	137	136.6 Å²	136.6	84%	0.84	78%	0.78	S	S	*	*			trans	-35.8	146.1	171.1	-37.4	0	0	0	0	117.2
173	V	29.2	Very low	30.5	Very low	116 Å²	116	141.8 Å²	141.8	70%	0.703	79%	0.786	S	S	*	*				158	126.1	126.7	159.4	0	0	0	0	114.5
174	Q	28	Very low	30.5	Very low	158 Å²	158	143.2 Å²	143.2	74%	0.738	78%	0.784	S	S	*	*			trans	48.6	130.6	151	-69.8	169.5	-22.7	0	0	121.8
175	Q	29.3	Very low	30.2	Very low	172 Å²	172	141.8 Å²	141.8	80%	0.804	78%	0.78	S	S	*	*				75.5	150	58.2	-75.4	-173.4	-4.9	0	0	114.6
176	S	31.5	Very low	30.2	Very low	90 Å²	90	144 Å²	144	63%	0.629	78%	0.783	S	S	*	*			cis	-167.4	-171.1	-14.6	57.2	0	0	0	0	108
177	V	28.8	Very low	30	Very low	108 Å²	108	144.9 Å²	144.9	66%	0.655	78%	0.782	S	S	*	*			cis	-150	164.3	13.8	-119.5	0	0	0	0	108.7
178	H	29.9	Very low	29.9	Very low	156 Å²	156	144.3 Å²	144.3	72%	0.722	78%	0.782	S	S	*	*				169	155.6	101.1	-89.6	-51.7	0	0	0	109.5
179	R	26.5	Very low	29.5	Very low	212 Å²	212	143.9 Å²	143.9	80%	0.8	78%	0.782	S	S	*	*			cis	-164.8	131	-13.8	-174.2	177.6	-155	172.8	5.9	111.1
180	R	31	Very low	28.8	Very low	205 Å²	205	144.8 Å²	144.8	77%	0.774	78%	0.779	S	S	*	*			trans	3.6	155.2	143.9	-66.5	173.1	171.7	-114.8	6.9	120.1
181	Q	29	Very low	28.8	Very low	157 Å²	157	147 Å²	147	73%	0.734	78%	0.776	S	S	*	*			cis	-165.8	175	-0.1	-119.6	170.3	-53.7	0	0	114.4
182	S	29.9	Very low	29.6	Very low	96 Å²	96	149.3 Å²	149.3	67%	0.671	78%	0.777	S	S	*	*			trans	-67.1	163.5	176.2	176.5	0	0	0	0	116.7
183	W	28.4	Very low	29.7	Very low	242 Å²	242	150.4 Å²	150.4	92%	0.917	77%	0.772	S	S	*	*				-167.4	179	118.4	-109.9	58.7	0	0	0	114.2
184	K	32.1	Very low	29.6	Very low	197 Å²	197	153.5 Å²	153.5	86%	0.857	77%	0.772	S	S	*	*			trans	-84.5	163.3	-164.2	-71.1	-179.3	171.7	-177.1	0	117.1
185	G	25.7	Very low	29.6	Very low	75 Å²	75	153.8 Å²	153.8	77%	0.773	77%	0.773	S	S	*	*			trans	-177.4	120.8	150.4	0	0	0	0	0	115.5
186	S	29.4	Very low	29.4	Very low	123 Å²	123	148.9 Å²	148.9	86%	0.86	77%	0.768	S	S	*	*			trans	-140.4	158.9	174.4	-55.3	0	0	0	0	111.1
187	K	27.8	Very low	29.8	Very low	202 Å²	202	151.1 Å²	151.1	88%	0.878	78%	0.78	S	S	*	*			trans	-163.4	128.9	161.8	48.8	-176.7	177.4	179.4	0	112.5
188	E	30.3	Very low	29.8	Very low	180 Å²	180	150.6 Å²	150.6	84%	0.841	78%	0.781	S	S	*	*			trans	-83.1	-178.5	169.7	-53.8	105.6	130.8	0	0	111.6
189	S	30.8	Very low	29.7	Very low	108 Å²	108	151.2 Å²	151.2	76%	0.755	79%	0.789	S	S	*	*			cis	-146.6	-150.7	5.8	-151.3	0	0	0	0	108.7
190	L	26	Very low	29.7	Very low	149 Å²	149	144.3 Å²	144.3	78%	0.78	78%	0.784	S	S	*	*			cis	-159.5	166.1	7	-138	180	0	0	0	108.3
191	V	28.7	Very low	29.5	Very low	126 Å²	126	142.8 Å²	142.8	76%	0.764	79%	0.791	S	S	*	*			trans	-140.9	122.6	-176.2	-178.9	0	0	0	0	113.9
192	P	43.8	Very low	29.4	Very low	127 Å²	127	138.7 Å²	138.7	83%	0.825	79%	0.792	S	S	*	*			trans	-118.5	66.5	-179.3	40.6	-30.2	0	0	0	116.1
193	Q	27.9	Very low	29.3	Very low	159 Å²	159	140.4 Å²	140.4	74%	0.743	80%	0.798	S	S	*	*			trans	9.2	127.2	146.4	-157.1	-164.3	7.6	0	0	120.9
194	R	27.6	Very low	29.3	Very low	182 Å²	182	134.8 Å²	134.8	69%	0.687	79%	0.789	S	S	*	*				143.4	150.8	128.3	-79.1	-174.5	166.9	-119.8	0.6	117.7
195	H	27.6	Very low	29.1	Very low	164 Å²	164	136 Å²	136	76%	0.759	79%	0.79	S	S	*	*			trans	61.8	142.2	164.7	-54.9	-64.8	0	0	0	117.4
196	G	25.5	Very low	29.1	Very low	68 Å²	68	142.8 Å²	142.8	70%	0.701	79%	0.793	S	S	*	*			cis	103.9	143.2	-2.1	0	0	0	0	0	114.2
197	P	39.9	Very low	29.1	Very low	137 Å²	137	141.3 Å²	141.3	89%	0.89	78%	0.782	S	S	*	*			cis	-133.3	-137.5	4	44.5	-24.7	0	0	0	114.3
198	S	27.8	Very low	29	Very low	97 Å²	97	140.6 Å²	140.6	68%	0.678	78%	0.782	S	S	*	*			trans	-103.1	-166.5	-161.7	54.4	0	0	0	0	116.9
199	L	28	Very low	29.1	Very low	170 Å²	170	137.4 Å²	137.4	89%	0.89	78%	0.78	S	S	*	*			trans	89.6	146.5	-178.2	-68.4	98	0	0	0	115.5
200	G	27.2	Very low	29.8	Very low	67 Å²	67	137.8 Å²	137.8	69%	0.691	78%	0.779	S	S	*	*			cis	-165.2	-170.6	2.5	0	0	0	0	0	114.4
201	D	26.7	Very low	29.8	Very low	172 Å²	172	136.3 Å²	136.3	92%	0.92	78%	0.782	S	S	*	*			trans	-55.7	170.8	-174.5	-58.3	-82.9	0	0	0	116.8
202	G	26.5	Very low	30	Very low	72 Å²	72	135.7 Å²	135.7	74%	0.742	78%	0.783	S	S	*	*			trans	172.5	26.9	164.1	0	0	0	0	0	125
203	V	28.2	Very low	29.2	Very low	132 Å²	132	137.9 Å²	137.9	80%	0.8	78%	0.782	S	S	*	*			trans	33.6	102.7	141.9	178.1	0	0	0	0	120.3
204	V	27.5	Very low	30.1	Very low	123 Å²	123	135.3 Å²	135.3	75%	0.745	78%	0.779	S	S	*	*				76.1	157.8	126.4	173.7	0	0	0	0	122.5
205	Y	27.9	Very low	30.2	Very low	223 Å²	223	133 Å²	133	88%	0.875	78%	0.781	S	S	*	*			trans	88.5	172	167.6	-101.7	-68.9	0	0	0	119.2
206	R	26.8	Very low	30.6	Very low	218 Å²	218	131.7 Å²	131.7	82%	0.823	78%	0.783	S	S	*	*			trans	-152.1	152.5	-138.3	-164.7	-160	-164.2	-169.5	6.3	111.8
207	S	28.9	Very low	30.8	Very low	91 Å²	91	131.3 Å²	131.3	64%	0.636	78%	0.779	S	S	*	*			trans	88.3	145.7	158.1	-63.7	0	0	0	0	119.9
208	E	24.8	Very low	30.2	Very low	188 Å²	188	136.5 Å²	136.5	88%	0.879	78%	0.781	S	S	*	*			trans	76.3	111.7	154.7	-75.5	166.4	-158.9	0	0	121.4
209	S	34.1	Very low	31.3	Very low	113 Å²	113	136.5 Å²	136.5	79%	0.79	78%	0.779	S	S	*	*			trans	-79.8	165.5	151.4	-38.1	0	0	0	0	109.7
210	P	45.2	Very low	31.3	Very low	115 Å²	115	135.9 Å²	135.9	75%	0.747	78%	0.776	S	S	*	*				-155	177.1	91.8	40.3	-22.5	0	0	0	116.8
211	S	26.1	Very low	31.4	Very low	119 Å²	119	138.1 Å²	138.1	83%	0.832	78%	0.781	S	S	*	*			trans	73.6	156.3	164.6	84.7	0	0	0	0	116.5
212	S	31.1	Very low	31.3	Very low	112 Å²	112	133.1 Å²	133.1	78%	0.783	77%	0.77	S	S	*	*			cis	-145.8	159.6	12.2	48.1	0	0	0	0	113.7
213	Q	27.8	Very low	31.8	Very low	174 Å²	174	136.1 Å²	136.1	81%	0.813	78%	0.78	S	S	*	*			trans	-83	168.7	157.8	-90.5	-124.6	-49.9	0	0	109.2
214	P	47.3	Very low	31.8	Very low	105 Å²	105	133.2 Å²	133.2	68%	0.682	78%	0.776	S	S	*	*			cis	-141.2	-152.4	34.1	40.4	-15.8	0	0	0	112
215	D	29.9	Very low	31.9	Very low	134 Å²	134	135.4 Å²	135.4	72%	0.717	78%	0.782	S	S	*	*			cis	-158.5	170.1	-0.7	-150.2	-25.9	0	0	0	110.3
216	V	34.5	Very low	32.1	Very low	135 Å²	135	129.1 Å²	129.1	82%	0.818	78%	0.776	S	S	*	*			trans	53.8	133.7	166.7	-146.1	0	0	0	0	117.1
217	G	31.2	Very low	32.3	Very low	60 Å²	60	122.7 Å²	122.7	62%	0.619	77%	0.769	S	S	*	*			cis	149	119.9	1.4	0	0	0	0	0	107.1
218	R	27.2	Very low	32.4	Very low	246 Å²	246	128.1 Å²	128.1	93%	0.928	78%	0.782	S	S	*	*				109.6	151.3	86.7	-108.2	-136.1	166.5	-177.3	-3.1	109.7
219	P	50.7	Low	32.6	Very low	97 Å²	97	122.8 Å²	122.8	63%	0.63	77%	0.77	S	S	*	*			trans	-132.9	-152.5	-150.5	32.7	-8.1	0	0	0	112.2
220	L	27.6	Very low	32.7	Very low	157 Å²	157	125.4 Å²	125.4	82%	0.822	77%	0.77	S	S	*	*			trans	74.2	153.3	169.3	-51.5	162.6	0	0	0	113.1
221	S	28.9	Very low	32	Very low	115 Å²	115	123.7 Å²	123.7	80%	0.804	77%	0.766	S	S	*	*			cis	-151.7	171	-9.4	-110.9	0	0	0	0	105.9
222	G	24.6	Very low	32.5	Very low	67 Å²	67	125.7 Å²	125.7	69%	0.691	76%	0.762	S	S	*	*			cis	167.9	-161.7	14.6	0	0	0	0	0	108.4
223	S	37.8	Very low	33.9	Very low	135 Å²	135	126.1 Å²	126.1	94%	0.944	76%	0.762	S	S	*	*			trans	-66.5	147	-169.9	-43.8	0	0	0	0	116.9
224	G	27.1	Very low	34.2	Very low	70 Å²	70	121.7 Å²	121.7	72%	0.722	76%	0.763	S	S	*	*			trans	141.8	-178.2	135	0	0	0	0	0	119.7
225	I	31.4	Very low	33.8	Very low	170 Å²	170	123.5 Å²	123.5	87%	0.872	77%	0.767	S	S	*	*			trans	87.8	130.4	156.2	-55.3	174.7	0	0	0	119.1
226	A	31.8	Very low	34.2	Very low	90 Å²	90	120 Å²	120	74%	0.744	76%	0.762	S	S	*	*			trans	53.4	134.6	163.2	0	0	0	0	0	119.9
227	A	29.7	Very low	34.3	Very low	83 Å²	83	120.1 Å²	120.1	69%	0.686	75%	0.754	S	S	*	*			cis	94.9	128.1	9.9	0	0	0	0	0	118.4
228	F	31.3	Very low	34.6	Very low	205 Å²	205	126.9 Å²	126.9	90%	0.899	76%	0.761	S	S	*	*			trans	70.5	137.2	171.5	-70.6	-76.7	0	0	0	117.8
229	A	30.3	Very low	35.1	Very low	77 Å²	77	120.4 Å²	120.4	64%	0.636	75%	0.748	S	S	*	*			cis	-150.7	179.5	-0.6	0	0	0	0	0	109.9
230	Q	36.2	Very low	34.1	Very low	167 Å²	167	122.7 Å²	122.7	78%	0.78	76%	0.755	S	S	*	*			cis	-158.1	173.5	2.3	-152.8	165.9	-80.4	0	0	110.5
231	A	28.6	Very low	35.1	Very low	80 Å²	80	120.5 Å²	120.5	66%	0.661	75%	0.751	S	S	*	*			trans	69.2	144	161.6	0	0	0	0	0	118.9
232	H	38.2	Very low	36.4	Very low	160 Å²	160	120.7 Å²	120.7	74%	0.741	75%	0.749	S	S	*	*			cis	-155.7	164.5	-27	-106.8	-49.8	0	0	0	108.3
233	P	59	Low	37.9	Very low	122 Å²	122	122.5 Å²	122.5	79%	0.792	75%	0.749	S	S	*	*				-126.3	168.3	-118.4	42.2	-29.9	0	0	0	118.9
234	G	35.2	Very low	37.7	Very low	81 Å²	81	124 Å²	124	84%	0.835	75%	0.745	S	S	*	*			trans	-129.7	-167.4	174.6	0	0	0	0	0	114.8
235	N	38.4	Very low	38.7	Very low	142 Å²	142	126.3 Å²	126.3	76%	0.759	75%	0.747	S	S	*	*			trans	-161	147.1	-168.1	170.4	51.4	0	0	0	109
236	G	38.2	Very low	39	Very low	60 Å²	60	127 Å²	127	62%	0.619	75%	0.747	S	S	*	*			cis	144.6	-170.3	-3.3	0	0	0	0	0	112.1
237	Q	36.8	Very low	39	Very low	139 Å²	139	130.8 Å²	130.8	65%	0.65	75%	0.753	S	S	*	*			trans	74.6	153.9	171.1	-54.4	-168.7	110.7	0	0	117.2
238	R	37	Very low	39	Very low	201 Å²	201	137.8 Å²	137.8	76%	0.758	76%	0.762	S	S	*	*			cis	-159.1	110.2	-15.7	-110.5	-177.9	-163.8	-98.3	-0.8	113.1
239	V	38.1	Very low	38.9	Very low	111 Å²	111	132.6 Å²	132.6	67%	0.673	75%	0.751	S	S	*	*			trans	44.9	129.8	133.9	-65.8	0	0	0	0	126.6
240	N	29.5	Very low	38.9	Very low	144 Å²	144	134.8 Å²	134.8	77%	0.77	76%	0.756	S	S	*	*				81.8	160.4	121.2	-76.1	8.9	0	0	0	124.8
241	P	49.7	Very low	38.5	Very low	112 Å²	112	133 Å²	133	73%	0.727	76%	0.756	S	S	*	*			cis	-136.9	-138	-24.2	43.9	-22.2	0	0	0	114.4
242	P	55.5	Low	39.4	Very low	119 Å²	119	134.7 Å²	134.7	77%	0.773	76%	0.761	S	S	*	*			trans	-131.9	-127.6	-135.2	38	-6.9	0	0	0	117.4
243	P	55.5	Low	40.1	Very low	105 Å²	105	132.4 Å²	132.4	68%	0.682	76%	0.761	S	S	*	*				-134.2	166.8	-128	41.1	-19.3	0	0	0	121.6
244	L	34.3	Very low	39.6	Very low	165 Å²	165	132.3 Å²	132.3	86%	0.864	76%	0.76	S	S	*	*			trans	63.1	172.2	161.2	-74.4	173.3	0	0	0	117.8
245	P	47.9	Very low	40.6	Very low	119 Å²	119	134.1 Å²	134.1	77%	0.773	76%	0.757	S	S	*	*			cis	-133.8	-158.1	8.9	45.3	-26.4	0	0	0	116.4
246	Q	38.8	Very low	41.8	Very low	184 Å²	184	132.7 Å²	132.7	86%	0.86	76%	0.755	S	S	*	*			trans	-98.5	156	173.9	-58.7	178.3	-56.6	0	0	113.6
247	I	31.3	Very low	42.5	Very low	171 Å²	171	135.4 Å²	135.4	88%	0.877	76%	0.762	S	S	*	*			trans	-166.8	166.7	152.2	-108.8	155.1	0	0	0	114.5
248	R	30	Very low	42.5	Very low	229 Å²	229	141 Å²	141	86%	0.864	78%	0.777	S	S	*	*			trans	-62.2	177.8	176	-60.7	178.5	-174.5	-175.1	1.7	114.8
249	S	29.2	Very low	42.3	Very low	97 Å²	97	134.8 Å²	134.8	68%	0.678	78%	0.776	S	S	*	*			cis	175.9	165.6	-30.7	66.6	0	0	0	0	110.9
250	V	29.1	Very low	42	Very low	123 Å²	123	138.2 Å²	138.2	75%	0.745	79%	0.785	S	S	*	*			trans	79.7	100.4	152.1	172.7	0	0	0	0	121.1
251	T	28.6	Very low	42.3	Very low	128 Å²	128	137.1 Å²	137.1	79%	0.785	78%	0.783	S	S	*	*			trans	45.8	175.2	140	29.8	0	0	0	0	124.4
252	P	47.8	Very low	42.2	Very low	117 Å²	117	137.6 Å²	137.6	76%	0.76	79%	0.786	S	S	*	*			cis	-117.5	-107.7	-35.3	23.2	0.1	0	0	0	118.6
253	P	52	Low	42.7	Very low	112 Å²	112	137.3 Å²	137.3	73%	0.727	78%	0.784	S	S	*	*			trans	-102.9	-168.4	-134.1	37	-18.3	0	0	0	115.8
254	P	49.9	Very low	42.4	Very low	120 Å²	120	137.8 Å²	137.8	78%	0.779	79%	0.788	S	S	*	*			cis	-145.9	-167.4	21	45.3	-22.4	0	0	0	118.9
255	P	54.8	Low	42.4	Very low	119 Å²	119	141.8 Å²	141.8	77%	0.773	79%	0.791	S	S	*	*			trans	-129.3	-143.3	-174.8	40.9	-21.5	0	0	0	114.8
256	P	64.2	Low	41.7	Very low	111 Å²	111	139 Å²	139	72%	0.721	79%	0.785	S	S	*	*				-114.3	-168.9	-67.6	38	-20	0	0	0	113.4
257	P	53.3	Low	41.3	Very low	118 Å²	118	136.6 Å²	136.6	77%	0.766	78%	0.782	S	S	*	*				-153.9	171.6	107.4	40.3	-23	0	0	0	115.2
258	R	37.1	Very low	41.1	Very low	255 Å²	255	134.4 Å²	134.4	96%	0.962	78%	0.777	S	S	*	*			cis	-162	153.3	-19.4	-122.5	-175.3	168.6	179.7	-3	111.4
259	G	32.3	Very low	42	Very low	71 Å²	71	129.4 Å²	129.4	73%	0.732	78%	0.775	S	S	*	*			trans	107.2	140.1	151.3	0	0	0	0	0	117
260	Q	32.2	Very low	42.8	Very low	184 Å²	184	130.2 Å²	130.2	86%	0.86	78%	0.778	S	S	*	*			cis	-151.7	118.6	-10.4	-102.9	-166.2	47.5	0	0	111.8
261	T	35	Very low	43.8	Very low	121 Å²	121	130 Å²	130	74%	0.742	78%	0.779	S	S	*	*			trans	55.6	151.9	136.4	30.3	0	0	0	0	123.3
262	P	47.1	Very low	44.9	Very low	121 Å²	121	129.2 Å²	129.2	79%	0.786	78%	0.776	S	S	*	*				-136.5	-128.8	-116.9	42.5	-18.1	0	0	0	116.8
263	P	66.2	Low	44	Very low	113 Å²	113	128.5 Å²	128.5	73%	0.734	77%	0.773	S	S	*	*			trans	-122.3	-158.2	-141.9	37.6	-11.9	0	0	0	114.1
264	P	50.3	Low	42.9	Very low	116 Å²	116	134.1 Å²	134.1	75%	0.753	78%	0.78	S	S	*	*				-158.1	167.5	86	41.6	-20.8	0	0	0	120.1
265	R	34	Very low	41.8	Very low	248 Å²	248	136.3 Å²	136.3	94%	0.936	78%	0.78	S	S	*	*			trans	4.1	160.9	146.4	-59.9	176.5	174.7	-168.7	-3.3	122.4
266	G	32.3	Very low	41.1	Very low	62 Å²	62	135.6 Å²	135.6	64%	0.639	78%	0.776	S	S	*	*			cis	156.2	-167.8	-2	0	0	0	0	0	115.2
267	T	30.4	Very low	39.3	Very low	132 Å²	132	137.5 Å²	137.5	81%	0.81	78%	0.779	S	S	*	*			trans	64.2	123.5	168	51	0	0	0	0	119.1
268	T	28	Very low	38.1	Very low	126 Å²	126	136.5 Å²	136.5	77%	0.773	78%	0.775	S	S	*	*				73.2	140.4	51.2	65.1	0	0	0	0	115.1
269	P	47.8	Very low	37.6	Very low	124 Å²	124	132.5 Å²	132.5	81%	0.805	77%	0.768	S	S	*	*			cis	-116.1	-133.5	6.4	34.1	-10.9	0	0	0	111.1
270	P	47	Very low	37.3	Very low	114 Å²	114	134.4 Å²	134.4	74%	0.74	77%	0.765	S	S	*	*			cis	-136.1	-173.2	-13.9	42.6	-22.5	0	0	0	117.3
271	P	49.2	Very low	37.3	Very low	118 Å²	118	134 Å²	134	77%	0.766	76%	0.76	S	S	*	*			trans	-130.4	-159.3	-178.5	44.5	-28.3	0	0	0	114.5
272	P	51.5	Low	36.9	Very low	112 Å²	112	139 Å²	139	73%	0.727	77%	0.766	S	S	*	*			cis	-129.7	-171	-43	31	-9.8	0	0	0	114.6
273	S	29.2	Very low	35.9	Very low	101 Å²	101	143.9 Å²	143.9	71%	0.706	77%	0.77	S	S	*	*			trans	126.2	134.3	133.1	74.4	0	0	0	0	121.8
274	W	29.7	Very low	34.1	Very low	230 Å²	230	144 Å²	144	87%	0.871	77%	0.773	S	S	*	*			trans	51.6	119.9	140.3	-71.9	52.3	0	0	0	124.2
275	E	25.9	Very low	33	Very low	167 Å²	167	141.4 Å²	141.4	78%	0.78	77%	0.768	S	S	*	*				40.7	171.6	122	-90.4	-170.1	-156.5	0	0	124.1
276	P	39.6	Very low	32.6	Very low	104 Å²	104	135.4 Å²	135.4	68%	0.675	76%	0.764	S	S	*	*			cis	-137.8	160.3	-15.7	29.6	-7.3	0	0	0	118.1
277	N	26.5	Very low	32.3	Very low	150 Å²	150	141.8 Å²	141.8	80%	0.802	78%	0.779	S	S	*	*			trans	41.2	148.9	132.3	-153.1	8.8	0	0	0	125.7
278	S	28.1	Very low	32.2	Very low	97 Å²	97	142.5 Å²	142.5	68%	0.678	77%	0.774	S	S	*	*			trans	76.5	162.2	152.6	86.1	0	0	0	0	119.4
279	Q	27.1	Very low	32.4	Very low	172 Å²	172	144.8 Å²	144.8	80%	0.804	77%	0.769	S	S	*	*			cis	-161.7	142.7	-22	-118	-178.9	25.6	0	0	113.1
280	T	27.3	Very low	31.5	Very low	110 Å²	110	146.1 Å²	146.1	68%	0.675	77%	0.767	S	S	*	*			trans	30.7	141.4	150.1	52.3	0	0	0	0	126.9
281	K	31.3	Very low	30.9	Very low	176 Å²	176	147.8 Å²	147.8	77%	0.765	77%	0.768	S	S	*	*			trans	99.1	130.8	131.4	-88.1	166.3	-177.6	170.8	0	123
282	R	27	Very low	30.2	Very low	227 Å²	227	146.3 Å²	146.3	86%	0.857	76%	0.76	S	S	*	*			trans	68.8	158	145.8	-73.2	-175.2	176.1	175.8	-2	119.1
283	Y	26.8	Very low	29.5	Very low	223 Å²	223	150.2 Å²	150.2	88%	0.875	76%	0.76	S	S	*	*			cis	-172.4	129.8	-32.8	-158.9	-87.7	0	0	0	109.3
284	S	27.2	Very low	29.9	Very low	114 Å²	114	152.8 Å²	152.8	80%	0.797	76%	0.764	S	S	*	*			trans	-166.9	152.9	160.1	-167.2	0	0	0	0	111.7
285	G	26.4	Very low	30.3	Very low	63 Å²	63	146.2 Å²	146.2	65%	0.649	75%	0.754	S	S	*	*			trans	-102.7	-158	159.5	0	0	0	0	0	110.6
286	S	26.2	Very low	31.7	Very low	121 Å²	121	144.1 Å²	144.1	85%	0.846	76%	0.755	S	S	*	*			cis	-170	133	-12.4	179.1	0	0	0	0	108.4
287	M	26.1	Very low	31.6	Very low	196 Å²	196	145.4 Å²	145.4	97%	0.966	76%	0.76	S	S	*	*			trans	-159.9	157.9	164.9	-136.8	165.4	-174.1	0	0	112.6
288	E	28.7	Very low	32.6	Very low	147 Å²	147	143.9 Å²	143.9	69%	0.687	76%	0.758	S	S	*	*			trans	-146.5	159.8	-160.3	-153.9	-177.6	177.8	0	0	112.9
289	Y	32.1	Very low	33.7	Very low	175 Å²	175	145.9 Å²	145.9	69%	0.686	77%	0.769	S	S	*	*			trans	82.9	122.5	165.3	-70	-72.5	0	0	0	124.6
290	M	28.9	Very low	34	Very low	151 Å²	151	141.5 Å²	141.5	74%	0.744	77%	0.77	S	S	*	*			trans	69.4	106.3	136.3	-79.7	-173.6	-73.3	0	0	126.6
291	I	33.5	Very low	34.2	Very low	150 Å²	150	140.2 Å²	140.2	77%	0.769	77%	0.771	S	S	*	*				49.6	120	111	-60.3	171.8	0	0	0	122
292	S	35	Very low	34	Very low	86 Å²	86	143.2 Å²	143.2	60%	0.601	78%	0.778	S	S	*	*				159.7	144	117.7	-105.2	0	0	0	0	119.1
293	R	36.2	Very low	34	Very low	195 Å²	195	139.9 Å²	139.9	74%	0.736	77%	0.772	S	S	*	*			trans	68.7	162.5	144.5	-66.3	175.3	-155.4	-103.8	2.2	119.1
294	I	38	Very low	34.1	Very low	154 Å²	154	136 Å²	136	79%	0.79	77%	0.766	S	S	*	*			cis	-152.5	-178.7	-1.5	-126.7	165	0	0	0	113.2
295	S	38.5	Very low	34.1	Very low	92 Å²	92	134 Å²	134	64%	0.643	76%	0.763	S	S	*	*			trans	-106.2	177.5	-175.7	-158.2	0	0	0	0	115.6
296	P	55.6	Low	34.1	Very low	124 Å²	124	141.3 Å²	141.3	81%	0.805	77%	0.773	S	S	*	*			trans	-136	168.2	137.9	36.9	-23	0	0	0	113.9
297	V	37.9	Very low	35.3	Very low	131 Å²	131	140.6 Å²	140.6	79%	0.794	77%	0.765	S	S	*	*			trans	-152.1	144.4	-172.2	-163.3	0	0	0	0	114.9
298	P	47.3	Very low	36.4	Very low	117 Å²	117	136.7 Å²	136.7	76%	0.76	76%	0.755	S	S	*	*			trans	-112.6	177.3	174	41.3	-33.4	0	0	0	116.2
299	P	50.3	Low	37.7	Very low	139 Å²	139	134.9 Å²	134.9	90%	0.903	76%	0.756	S	S	*	*			trans	-122.2	167.8	-166.3	42.7	-31.5	0	0	0	119
300	G	34.2	Very low	38.3	Very low	80 Å²	80	131.8 Å²	131.8	83%	0.825	76%	0.757	S	S	*	*			trans	177.1	153.5	169.1	0	0	0	0	0	113.5
301	A	31	Very low	38.2	Very low	84 Å²	84	132.3 Å²	132.3	69%	0.694	76%	0.76	S	S	*	*			trans	-136.1	158.3	-160.6	0	0	0	0	0	118.2
302	W	27	Very low	38	Very low	239 Å²	239	131.9 Å²	131.9	91%	0.905	76%	0.759	S	S	*	*			trans	70.6	160.4	161.2	-57.2	121.3	0	0	0	119.3
303	Q	27.7	Very low	38.4	Very low	157 Å²	157	133.3 Å²	133.3	73%	0.734	77%	0.766	S	S	*	*			cis	-148	-156.5	-4.8	-140.5	-142	-64.1	0	0	114
304	D	28.3	Very low	38.8	Very low	141 Å²	141	129.3 Å²	129.3	75%	0.754	77%	0.766	S	S	*	*			trans	-88.9	164.4	-173.4	-63.6	-82.5	0	0	0	117
305	G	27.7	Very low	39.2	Very low	72 Å²	72	126.7 Å²	126.7	74%	0.742	76%	0.758	S	S	*	*			trans	169.6	135.1	162	0	0	0	0	0	117.5
306	Y	25.5	Very low	38.6	Very low	216 Å²	216	129 Å²	129	85%	0.847	76%	0.762	S	S	*	*			trans	-154.3	160.5	170.4	-110.9	-109.7	0	0	0	106.3
307	P	51.8	Low	37.2	Very low	106 Å²	106	129.9 Å²	129.9	69%	0.688	76%	0.76	S	S	*	*			cis	-128.3	-137.8	-39.9	33.7	-10.7	0	0	0	108.7
308	P	49.2	Very low	36.5	Very low	114 Å²	114	128.5 Å²	128.5	74%	0.74	76%	0.756	S	S	*	*			cis	-109.4	-94.5	-45.8	17.3	4.8	0	0	0	116.7
309	P	56.1	Low	35.5	Very low	110 Å²	110	128.3 Å²	128.3	71%	0.714	76%	0.758	S	S	*	*			trans	-119	-153.1	-145.2	42.3	-20.2	0	0	0	111.5
310	P	43.7	Very low	34.3	Very low	110 Å²	110	125.9 Å²	125.9	71%	0.714	75%	0.749	S	S	*	*			cis	-142.7	-166.4	-0	31.1	-3.6	0	0	0	116.8
311	M	26.9	Very low	34	Very low	162 Å²	162	131 Å²	131	80%	0.798	75%	0.751	S	S	*	*			trans	76.5	120.1	155.6	-50.5	-155.4	80.4	0	0	121.9
312	N	29.2	Very low	33.9	Very low	140 Å²	140	131.5 Å²	131.5	75%	0.749	76%	0.756	S	S	*	*				21.6	152.5	108.9	-78.2	9.8	0	0	0	120.7
313	P	43.6	Very low	33.9	Very low	116 Å²	116	127.2 Å²	127.2	75%	0.753	75%	0.746	S	S	*	*			cis	-130.3	-115.7	-5	30.4	-3.4	0	0	0	114.1
314	P	45.8	Very low	33.9	Very low	112 Å²	112	130.7 Å²	130.7	73%	0.727	75%	0.753	S	S	*	*			trans	-127.3	-138.9	-145.1	41.7	-16	0	0	0	110.5
315	P	46.4	Very low	33.7	Very low	98 Å²	98	127.5 Å²	127.5	64%	0.636	75%	0.753	S	S	*	*			cis	-134.2	-165.5	-25.2	40.4	-21.7	0	0	0	113.9
316	I	25.7	Very low	33.6	Very low	142 Å²	142	132.7 Å²	132.7	73%	0.728	76%	0.76	S	S	*	*			trans	69.9	119.7	147.4	-76.2	165.8	0	0	0	120.7
317	N	26.2	Very low	33.7	Very low	142 Å²	142	127.9 Å²	127.9	76%	0.759	76%	0.758	S	S	*	*			trans	28.9	152.5	141.8	-53.9	-14.1	0	0	0	124
318	S	23.8	Very low	32.4	Very low	102 Å²	102	127.1 Å²	127.1	71%	0.713	76%	0.761	S	S	*	*			trans	117.6	102.6	135.4	-44.2	0	0	0	0	117
319	S	24.7	Very low	31.4	Very low	113 Å²	113	127.4 Å²	127.4	79%	0.79	76%	0.76	S	S	*	*			trans	52.8	135.8	131.5	63.8	0	0	0	0	123.5
320	A	26.9	Very low	30.4	Very low	87 Å²	87	128.1 Å²	128.1	72%	0.719	77%	0.765	S	S	*	*			trans	98.9	114.6	139.1	0	0	0	0	0	121.1
321	Q	27.8	Very low	29.7	Very low	187 Å²	187	130.5 Å²	130.5	87%	0.874	77%	0.77	S	S	*	*			trans	71	112.8	137.5	-67.3	-177.4	-32.4	0	0	122.8
322	A	27.1	Very low	29.8	Very low	96 Å²	96	126.2 Å²	126.2	79%	0.793	77%	0.767	S	S	*	*			trans	73.5	137.5	134.4	0	0	0	0	0	118.6
323	Q	27.2	Very low	29.7	Very low	148 Å²	148	130.8 Å²	130.8	69%	0.692	77%	0.774	S	S	*	*			cis	-151.3	162.7	19.2	-84.8	-157.8	17.3	0	0	113.4
324	R	27.5	Very low	29	Very low	231 Å²	231	133.3 Å²	133.3	87%	0.872	78%	0.776	S	S	*	*			trans	58	135	154.6	-67.3	169.4	-162.9	-137.4	1.9	118.9
325	G	25.4	Very low	28.8	Very low	74 Å²	74	133 Å²	133	76%	0.763	77%	0.774	S	S	*	*			trans	-172.1	-12.4	176.7	0	0	0	0	0	122.2
326	M	25.8	Very low	27.8	Very low	181 Å²	181	134.7 Å²	134.7	89%	0.892	78%	0.776	S	S	*	*			trans	70.9	154.5	176.7	-54.1	-177.9	66.4	0	0	119.2
327	S	27.1	Very low	27.7	Very low	114 Å²	114	134.9 Å²	134.9	80%	0.797	78%	0.777	S	S	*	*			trans	67.5	104.3	157	-58.4	0	0	0	0	120.9
328	A	24.3	Very low	27.5	Very low	91 Å²	91	135.2 Å²	135.2	75%	0.752	78%	0.776	S	S	*	*			trans	-157.1	129.9	161.8	0	0	0	0	0	114.2
329	V	29.3	Very low	27.5	Very low	119 Å²	119	137.7 Å²	137.7	72%	0.721	78%	0.776	S	S	*	*			trans	59.8	164.4	161.6	-126.8	0	0	0	0	117.5	I331	V329-I331 HydrophobicContact CG1-CG1 4.16Å
330	P	34.3	Very low	27.5	Very low	126 Å²	126	137.4 Å²	137.4	82%	0.818	77%	0.774	S	S	*	*				-135.5	148.1	75.8	37.7	-22.5	0	0	0	116.4
331	I	28.7	Very low	27.4	Very low	159 Å²	159	139.4 Å²	139.4	82%	0.815	78%	0.783	S	S	*	*			trans	-90.1	146.3	158.4	-71	162.3	0	0	0	107.6	V329	V329-I331 HydrophobicContact CG1-CG1 4.16Å
332	G	28.5	Very low	27.3	Very low	73 Å²	73	135 Å²	135	75%	0.753	78%	0.778	S	S	*	*			trans	-141.1	138.9	174.8	0	0	0	0	0	113.3
333	R	28.3	Very low	27.1	Very low	235 Å²	235	137.8 Å²	137.8	89%	0.887	78%	0.78	S	S	*	*			trans	-146	120.8	171.7	-93.5	-168	170.5	-139.7	0.6	111
334	Q	28.5	Very low	27.1	Very low	169 Å²	169	135.2 Å²	135.2	79%	0.79	78%	0.778	S	S	*	*			trans	66.5	170.1	153.2	-60.6	-62.3	-30.1	0	0	115.6
335	P	40.4	Very low	27	Very low	106 Å²	106	134.1 Å²	134.1	69%	0.688	78%	0.78	S	S	*	*			cis	-135.1	162.2	5.6	40.8	-23.1	0	0	0	118.6
336	I	25.3	Very low	26.9	Very low	134 Å²	134	139 Å²	139	69%	0.687	78%	0.78	S	S	*	*			trans	66.9	105.5	136.7	-66.8	169.3	0	0	0	122
337	I	25.4	Very low	26.8	Very low	145 Å²	145	138.1 Å²	138.1	74%	0.744	78%	0.779	S	S	*	*				43.8	124.1	122.2	-52.5	163.2	0	0	0	121.1
338	M	22	Very low	26.9	Very low	149 Å²	149	140.5 Å²	140.5	73%	0.734	78%	0.776	S	S	*	*				-168.5	133.2	117.4	-104.3	-178	78.9	0	0	114.7
339	Q	23.5	Very low	27.3	Very low	155 Å²	155	142.1 Å²	142.1	72%	0.724	78%	0.779	S	S	*	*			trans	30.5	153.6	134.5	-60.1	-176.9	10.1	0	0	122.1
340	S	24.3	Very low	27.1	Very low	106 Å²	106	142 Å²	142	74%	0.741	78%	0.783	S	S	*	*			cis	-179.8	138.3	-17.1	-90.9	0	0	0	0	108.5
341	S	24.5	Very low	26.8	Very low	129 Å²	129	139.4 Å²	139.4	90%	0.902	78%	0.779	S	S	*	*			trans	-173.7	149.6	155.7	47.3	0	0	0	0	112.9
342	A	25.8	Very low	26.7	Very low	94 Å²	94	143.4 Å²	143.4	78%	0.777	78%	0.784	S	S	*	*			trans	-135.2	139	171.2	0	0	0	0	0	110.6
343	N	23.8	Very low	26.6	Very low	155 Å²	155	144.9 Å²	144.9	83%	0.829	79%	0.789	S	S	*	*			trans	-167.4	138.7	137.7	-122.9	-40.9	0	0	0	115.7
344	S	25.9	Very low	26.5	Very low	94 Å²	94	137 Å²	137	66%	0.657	78%	0.781	S	S	*	*			trans	9.3	130.9	148.7	-49.1	0	0	0	0	121.6
345	K	25.1	Very low	26.3	Very low	209 Å²	209	137.6 Å²	137.6	91%	0.909	79%	0.786	S	S	*	*				-172	165.7	101.8	-101.8	170.9	-176.8	179.2	0	115
346	F	25.1	Very low	25.8	Very low	176 Å²	176	140.2 Å²	140.2	77%	0.772	79%	0.789	S	S	*	*			trans	-75.5	156.7	-177	-76.7	-113.5	0	0	0	113.9
347	N	23.7	Very low	25.9	Very low	162 Å²	162	140.8 Å²	140.8	87%	0.866	79%	0.793	S	S	*	*				-161.4	146.9	110.8	-119.1	-4.3	0	0	0	114.9
348	F	28.6	Very low	26	Very low	165 Å²	165	136.9 Å²	136.9	72%	0.724	79%	0.789	S	S	*	*			trans	-102.6	162.1	168.1	-83.4	-97.3	0	0	0	110.4
349	P	31.6	Very low	26	Very low	125 Å²	125	137.6 Å²	137.6	81%	0.812	80%	0.796	S	S	*	*			trans	-94.6	111.7	146	8.6	11.2	0	0	0	110.4
350	S	26.3	Very low	26.2	Very low	115 Å²	115	135.1 Å²	135.1	80%	0.804	79%	0.794	S	S	*	*			trans	-81.9	164.2	158.1	-58.6	0	0	0	0	109.4
351	G	27.1	Very low	26.3	Very low	72 Å²	72	139.2 Å²	139.2	74%	0.742	80%	0.802	S	S	*	*			cis	131.3	127.7	0.7	0	0	0	0	0	112.5
352	R	27.5	Very low	26.4	Very low	244 Å²	244	137.1 Å²	137.1	92%	0.921	79%	0.793	S	S	*	*			trans	-159	127.3	163.2	-89.5	-173.1	177.9	-168	-2.7	106.5
353	A	25.5	Very low	26.2	Very low	103 Å²	103	142.2 Å²	142.2	85%	0.851	80%	0.8	S	S	*	*			cis	74.4	129.1	27.2	0	0	0	0	0	114.6
354	G	26.2	Very low	26.4	Very low	71 Å²	71	143.6 Å²	143.6	73%	0.732	80%	0.799	S	S	*	*			cis	135.1	152.5	-9.4	0	0	0	0	0	114.8
355	M	25.5	Very low	26.4	Very low	181 Å²	181	145.9 Å²	145.9	89%	0.892	80%	0.803	S	S	*	*			trans	-146.2	131.7	165.7	-56.1	-167.7	83.6	0	0	107.2
356	Q	28.8	Very low	26.6	Very low	161 Å²	161	141.7 Å²	141.7	75%	0.752	79%	0.794	S	S	*	*				67.2	131.6	53.7	-66.9	-155.4	19.6	0	0	113.3
357	N	28.1	Very low	26.7	Very low	145 Å²	145	141.9 Å²	141.9	78%	0.775	80%	0.797	S	S	*	*			cis	-152.8	177.1	-3.6	-86.6	-26.7	0	0	0	107.7
358	G	26.8	Very low	26.9	Very low	63 Å²	63	141.5 Å²	141.5	65%	0.649	79%	0.79	S	S	*	*			cis	166.9	-170.5	0.5	0	0	0	0	0	111.2
359	N	23.4	Very low	26.9	Very low	165 Å²	165	141.7 Å²	141.7	88%	0.882	80%	0.799	S	S	*	*			trans	69.8	157.1	176.9	-74.3	11.9	0	0	0	119.8
360	C	26.5	Very low	26.6	Very low	102 Å²	102	140.4 Å²	140.4	69%	0.689	79%	0.788	S	S	*	*				-178.3	139.2	-52.1	-108.4	0	0	0	0	111.6
361	Q	25.8	Very low	26.6	Very low	192 Å²	192	141.8 Å²	141.8	90%	0.897	79%	0.792	S	S	*	*			trans	59.1	176.8	160.7	-69.6	-175.6	-14.4	0	0	117.8
362	A	26.7	Very low	26.6	Very low	86 Å²	86	143.8 Å²	143.8	71%	0.711	79%	0.794	S	S	*	*				-174.9	139.1	-56.7	0	0	0	0	0	108.5
363	E	22.3	Very low	26.6	Very low	200 Å²	200	135.2 Å²	135.2	94%	0.935	78%	0.782	S	S	*	*			trans	-158.7	157	161.3	-128.8	159.5	-152.4	0	0	114.6
364	F	28.6	Very low	26.6	Very low	184 Å²	184	138.7 Å²	138.7	81%	0.807	79%	0.786	S	S	*	*			trans	-108.1	160	174.2	-115	-109.3	0	0	0	108.2
365	I	26.2	Very low	26.7	Very low	143 Å²	143	140.4 Å²	140.4	73%	0.733	79%	0.787	S	S	*	*				-179.5	148.1	123.5	-97.2	161.3	0	0	0	111.7
366	V	28.8	Very low	26.8	Very low	120 Å²	120	138.8 Å²	138.8	73%	0.727	79%	0.787	S	S	*	*			trans	-100.4	140.9	172	169.1	0	0	0	0	108.6
367	H	27.8	Very low	26.8	Very low	181 Å²	181	135.9 Å²	135.9	84%	0.838	78%	0.784	S	S	*	*			trans	-114.9	131.2	162.4	-97	-79.6	0	0	0	112.3
368	Q	27.3	Very low	26.8	Very low	153 Å²	153	140.5 Å²	140.5	72%	0.715	79%	0.791	S	S	*	*			trans	-116.2	155.3	178.2	-179	-173.8	45.7	0	0	107.8	V370	Q368-V370 HydrophobicContact CG-CG2 4.06Å
369	N	27.8	Very low	26.9	Very low	169 Å²	169	146.2 Å²	146.2	90%	0.904	80%	0.8	S	S	*	*			trans	-142.8	149.5	160.4	-115.4	-24.1	0	0	0	110.3
370	V	26.5	Very low	27.7	Very low	99 Å²	99	143.3 Å²	143.3	60%	0.6	79%	0.791	S	S	*	*			trans	-138.2	140.8	-166.4	177.6	0	0	0	0	110.2	Q368	Q368-V370 HydrophobicContact CG-CG2 4.06Å
371	V	26.1	Very low	29.3	Very low	144 Å²	144	144.2 Å²	144.2	87%	0.873	80%	0.795	S	S	*	*			trans	-134.1	133.7	160.7	179.9	0	0	0	0	108.6
372	S	26.7	Very low	30.3	Very low	113 Å²	113	140.3 Å²	140.3	79%	0.79	79%	0.787	S	S	*	*			trans	-85.4	159.7	177.5	-47.4	0	0	0	0	111.2
373	G	26.4	Very low	30.5	Very low	64 Å²	64	147.1 Å²	147.1	66%	0.66	80%	0.795	S	S	*	*			cis	146.5	159.3	-0.5	0	0	0	0	0	110.5
374	N	26.8	Very low	32.1	Very low	176 Å²	176	142.8 Å²	142.8	94%	0.941	79%	0.785	S	S	*	*			trans	-166.2	155.3	157.7	-111.5	-15.4	0	0	0	111.4
375	S	28.9	Very low	32.1	Very low	108 Å²	108	141.9 Å²	141.9	76%	0.755	79%	0.787	S	S	*	*			trans	-119.5	155.1	-167.1	60.7	0	0	0	0	114.2
376	V	27	Very low	32.2	Very low	146 Å²	146	142.2 Å²	142.2	89%	0.885	79%	0.79	S	S	*	*			trans	-158.6	156.4	133.8	134.4	0	0	0	0	110.8
377	S	27.4	Very low	32.9	Very low	100 Å²	100	141.1 Å²	141.1	70%	0.699	79%	0.785	S	S	*	*			trans	-62.3	173.5	-179.5	-121	0	0	0	0	114.6
378	R	28.9	Very low	32.9	Very low	242 Å²	242	138.3 Å²	138.3	91%	0.913	78%	0.781	S	S	*	*			cis	-159.8	-174.6	28.5	-142.4	160.8	-168	-101.6	4.4	113.5
379	Q	28.7	Very low	33	Very low	183 Å²	183	137.6 Å²	137.6	86%	0.855	78%	0.782	S	S	*	*			trans	-103	167.6	-174.4	-85.7	-122.2	-15.8	0	0	115.5
380	P	40.5	Very low	32.9	Very low	104 Å²	104	138.6 Å²	138.6	68%	0.675	77%	0.773	S	S	*	*			trans	-97.3	-167	-169.8	42.1	-38.6	0	0	0	114
381	P	59.7	Low	33	Very low	121 Å²	121	141.3 Å²	141.3	79%	0.786	78%	0.78	S	S	*	*			cis	-114	-114	-5.7	34.3	-11.5	0	0	0	112.7
382	P	47.4	Very low	33.3	Very low	110 Å²	110	139.8 Å²	139.8	71%	0.714	78%	0.775	S	S	*	*			cis	-134.4	-165.9	8.4	45.4	-25	0	0	0	117.2
383	Y	31	Very low	34.3	Very low	229 Å²	229	139.5 Å²	139.5	90%	0.898	77%	0.771	S	S	*	*			trans	-142.2	-179	165.3	-82.3	-75.9	0	0	0	107.7
384	P	54.9	Low	34.4	Very low	110 Å²	110	142.7 Å²	142.7	71%	0.714	78%	0.778	S	S	*	*			cis	-128.9	-167	-10.5	42	-25.5	0	0	0	113
385	I	28.9	Very low	34.7	Very low	165 Å²	165	138.1 Å²	138.1	85%	0.846	76%	0.764	S	S	*	*				179.4	151.8	129.7	-93.6	158.1	0	0	0	110.9
386	N	28	Very low	34.9	Very low	149 Å²	149	140 Å²	140	80%	0.797	77%	0.765	S	S	*	*			trans	-144.7	142	176	-175	14.9	0	0	0	108.2
387	P	44.5	Very low	35.4	Very low	98 Å²	98	139.7 Å²	139.7	64%	0.636	75%	0.754	S	S	*	*			trans	-152.6	147.5	132	38.4	-20.7	0	0	0	118.5
388	T	27.7	Very low	35.7	Very low	121 Å²	121	142.1 Å²	142.1	74%	0.742	76%	0.756	S	S	*	*			trans	65.2	105.7	138.1	56.7	0	0	0	0	124.6
389	N	28.5	Very low	36.1	Very low	139 Å²	139	138.2 Å²	138.2	74%	0.743	75%	0.748	S	S	*	*				84.5	141	98.3	-149.4	14.3	0	0	0	122.7
390	R	27.1	Very low	36.2	Very low	190 Å²	190	133.6 Å²	133.6	72%	0.717	74%	0.741	S	S	*	*			trans	83	119.4	156.9	-82	175.3	174.7	-124.7	7.1	123.5
391	Q	27.8	Very low	35.5	Very low	156 Å²	156	132.2 Å²	132.2	73%	0.729	75%	0.746	S	S	*	*				82	110	129	-68.9	174.5	-70.5	0	0	121.8
392	S	31.8	Very low	34	Very low	111 Å²	111	129.9 Å²	129.9	78%	0.776	74%	0.743	S	S	*	*			trans	-77.1	171.5	149.2	58.9	0	0	0	0	110.3
393	P	48.2	Very low	33.2	Very low	108 Å²	108	130.2 Å²	130.2	70%	0.701	75%	0.749	S	S	*	*				-155.6	-176.7	59.3	42	-19.1	0	0	0	119
394	T	28.5	Very low	33.1	Very low	131 Å²	131	123.5 Å²	123.5	80%	0.804	74%	0.74	S	S	*	*			trans	78.5	153	152.7	-43.1	0	0	0	0	118.7
395	A	32.4	Very low	33.1	Very low	79 Å²	79	124 Å²	124	65%	0.653	74%	0.744	S	S	*	*				-174.5	179.9	-53.3	0	0	0	0	0	110.1
396	L	34.8	Very low	34	Very low	148 Å²	148	122 Å²	122	78%	0.775	74%	0.741	S	S	*	*			trans	78.2	155.8	162.4	-63.4	174.1	0	0	0	118.5
397	Q	36.4	Very low	34	Very low	140 Å²	140	120.1 Å²	120.1	65%	0.654	74%	0.74	S	S	*	*			cis	-92.4	-145.2	-3.7	-159.5	76.3	-28.4	0	0	108.5
398	M	34.7	Very low	33.3	Very low	151 Å²	151	121.4 Å²	121.4	74%	0.744	75%	0.745	S	S	*	*			cis	-168.3	145.1	-11.9	-153.7	145	179.2	0	0	104.9
399	Q	36.6	Very low	33.4	Very low	160 Å²	160	125.1 Å²	125.1	75%	0.748	75%	0.747	S	S	*	*			cis	-163	-178.1	-14.7	-132.1	-178	-25.8	0	0	105.5
400	A	31	Very low	33.3	Very low	86 Å²	86	124.1 Å²	124.1	71%	0.711	75%	0.746	S	S	*	*			cis	-157.3	-178.1	-2.1	0	0	0	0	0	108.7
401	G	25.8	Very low	33.3	Very low	75 Å²	75	123 Å²	123	77%	0.773	76%	0.755	S	S	*	*			trans	86.5	168.1	169.3	0	0	0	0	0	115.2
402	G	28.2	Very low	33.1	Very low	71 Å²	71	119.1 Å²	119.1	73%	0.732	76%	0.756	S	S	*	*			cis	80.1	140.1	-8.9	0	0	0	0	0	116.2
403	S	30.8	Very low	32.8	Very low	118 Å²	118	121.8 Å²	121.8	83%	0.825	76%	0.762	S	S	*	*			cis	-154.4	151.1	-6.3	-67.8	0	0	0	0	109.4
404	A	27.6	Very low	32	Very low	87 Å²	87	124.1 Å²	124.1	72%	0.719	77%	0.768	S	S	*	*			cis	84.8	153.6	20.8	0	0	0	0	0	115.5
405	P	56.1	Low	32.5	Very low	122 Å²	122	122.8 Å²	122.8	79%	0.792	76%	0.761	S	S	*	*			cis	-89.3	-127.7	-4.7	41.9	-36.9	0	0	0	111
406	P	46.6	Very low	32.3	Very low	123 Å²	123	127.2 Å²	127.2	80%	0.799	77%	0.768	S	S	*	*			cis	-112.1	-171.6	4.3	44.1	-32.8	0	0	0	114.9
407	S	29.2	Very low	31.9	Very low	109 Å²	109	125.2 Å²	125.2	76%	0.762	76%	0.763	S	S	*	*			trans	-167	165.5	170.9	-177.8	0	0	0	0	111.4
408	V	29.9	Very low	31.4	Very low	124 Å²	124	125.8 Å²	125.8	75%	0.752	77%	0.767	S	S	*	*			trans	170.6	116.1	137.5	152.4	0	0	0	0	116.2
409	Y	28.8	Very low	31	Very low	199 Å²	199	126.6 Å²	126.6	78%	0.78	77%	0.771	S	S	*	*			trans	59.4	133.1	139.9	-70.8	-112.8	0	0	0	128.4
410	T	26.8	Very low	30.5	Very low	119 Å²	119	125.1 Å²	125.1	73%	0.73	77%	0.772	S	S	*	*			trans	82.8	115.5	135.4	43.7	0	0	0	0	127.8
411	N	26.6	Very low	30.9	Very low	167 Å²	167	126.7 Å²	126.7	89%	0.893	78%	0.776	S	S	*	*				42.5	135.8	129.9	-78.8	-3.2	0	0	0	125.2
412	G	25	Very low	30.9	Very low	74 Å²	74	130.1 Å²	130.1	76%	0.763	78%	0.776	S	S	*	*			trans	154.5	75.9	142.5	0	0	0	0	0	123
413	N	25.7	Very low	30.7	Very low	167 Å²	167	137 Å²	137	89%	0.893	78%	0.78	S	S	*	*			trans	45.9	159.2	147.9	-82.4	-17.8	0	0	0	126.5
414	L	30.7	Very low	30.5	Very low	157 Å²	157	136.4 Å²	136.4	82%	0.822	78%	0.776	S	S	*	*			trans	-80.4	179.9	177.2	-79.4	98.6	0	0	0	113.5
415	P	39.1	Very low	30.4	Very low	102 Å²	102	138 Å²	138	66%	0.662	78%	0.781	S	S	*	*			cis	-151.2	176	23.8	46.3	-25.7	0	0	0	121.1
416	Q	28.1	Very low	29	Very low	172 Å²	172	141 Å²	141	80%	0.804	79%	0.785	S	S	*	*			trans	52.7	154.2	140.6	-75.3	-177.4	-12.1	0	0	121.3
417	T	27.1	Very low	28.2	Very low	107 Å²	107	142 Å²	142	66%	0.656	78%	0.783	S	S	*	*			cis	-165.1	169.9	16.2	-8	0	0	0	0	114
418	M	24.6	Very low	28	Very low	152 Å²	152	144 Å²	144	75%	0.749	78%	0.782	S	S	*	*			trans	83.7	131.8	142.7	-75.8	-66.5	180	0	0	124.4
419	M	25.6	Very low	27.9	Very low	167 Å²	167	145.3 Å²	145.3	82%	0.823	78%	0.781	S	S	*	*			trans	84.2	122.9	144.8	-68.8	-65.4	173.9	0	0	124
420	V	27.6	Very low	27.8	Very low	129 Å²	129	141.9 Å²	141.9	78%	0.782	78%	0.775	S	S	*	*			trans	-81.8	170.5	160.2	-118.7	0	0	0	0	109.5
421	P	38	Very low	27.9	Very low	120 Å²	120	145 Å²	145	78%	0.779	78%	0.775	S	S	*	*			cis	-155.5	179.2	46.5	41.6	-18.6	0	0	0	120.4
422	N	26.1	Very low	27.9	Very low	146 Å²	146	143.8 Å²	143.8	78%	0.781	77%	0.768	S	S	*	*			trans	113.7	164.1	133.6	-146.7	14.6	0	0	0	119.5
423	R	25.3	Very low	28	Very low	216 Å²	216	147.2 Å²	147.2	82%	0.815	77%	0.774	S	S	*	*			trans	-98.8	159.3	-152.5	-57.2	159.9	161.5	-169.2	-4.7	115.9
424	S	24.9	Very low	28	Very low	106 Å²	106	146.1 Å²	146.1	74%	0.741	77%	0.769	S	S	*	*			trans	60.4	108.5	134.1	64.1	0	0	0	0	122.1
425	S	26.1	Very low	27.8	Very low	119 Å²	119	144.8 Å²	144.8	83%	0.832	77%	0.767	S	S	*	*				-157	133.3	122.9	-17.9	0	0	0	0	107.2
426	H	27.4	Very low	27.2	Very low	186 Å²	186	144.8 Å²	144.8	86%	0.861	78%	0.775	S	S	*	*				77.1	134.6	59.6	-120.8	72.5	0	0	0	114.9
427	N	28.9	Very low	27.1	Very low	144 Å²	144	140 Å²	140	77%	0.77	77%	0.771	S	S	*	*			trans	-62.1	145.9	-174.6	-59.6	-75.8	0	0	0	113.4
428	M	25.9	Very low	27.6	Very low	151 Å²	151	142.7 Å²	142.7	74%	0.744	78%	0.78	S	S	*	*				-157.8	154.9	121.4	-109.6	-51.6	-69.5	0	0	112.5
429	E	27.1	Very low	27.9	Very low	152 Å²	152	141 Å²	141	71%	0.71	78%	0.78	S	S	*	*			trans	-88.7	159.7	-178.1	-53.9	160.3	120.2	0	0	112.2
430	L	26.8	Very low	28.2	Very low	126 Å²	126	137.2 Å²	137.2	66%	0.66	78%	0.776	S	S	*	*				161.3	148.9	111.9	-85.8	176	0	0	0	116.3
431	Y	29.6	Very low	28.1	Very low	186 Å²	186	136 Å²	136	73%	0.729	77%	0.773	S	S	*	*			trans	62.6	112.9	155.2	-73.3	-58.7	0	0	0	124.1
432	N	26.2	Very low	27.5	Very low	140 Å²	140	141.5 Å²	141.5	75%	0.749	78%	0.779	S	S	*	*				32.6	127.5	126.4	-68.4	-6.4	0	0	0	121.3
433	T	27.8	Very low	27.5	Very low	146 Å²	146	139.8 Å²	139.8	90%	0.896	78%	0.778	S	S	*	*				-151.6	161	108.1	-72.5	0	0	0	0	108.5
434	N	25.1	Very low	27.7	Very low	145 Å²	145	138.2 Å²	138.2	78%	0.775	78%	0.78	S	S	*	*			trans	-143.5	162.8	-174	-166.8	9.5	0	0	0	111.2
435	V	27.3	Very low	29	Very low	129 Å²	129	138.3 Å²	138.3	78%	0.782	78%	0.778	S	S	*	*			trans	87	141.6	171.3	-171.9	0	0	0	0	117.5
436	A	24.8	Very low	30.5	Very low	102 Å²	102	138.1 Å²	138.1	84%	0.843	77%	0.774	S	S	*	*			trans	77.9	137.5	176.5	0	0	0	0	0	117.4
437	G	26.5	Very low	31.9	Very low	70 Å²	70	135 Å²	135	72%	0.722	77%	0.77	S	S	*	*			cis	169.3	119.9	-7.3	0	0	0	0	0	114
438	I	37.3	Very low	32	Very low	164 Å²	164	132.8 Å²	132.8	84%	0.841	77%	0.772	S	S	*	*			trans	-42.1	133.4	179.6	-67.4	162.5	0	0	0	114.9	A440	I438-A440 HydrophobicContact CG2-CB 4.15Å
439	P	32.1	Very low	32.4	Very low	116 Å²	116	134.5 Å²	134.5	75%	0.753	78%	0.778	S	S	*	*				-124.5	142.9	111.3	0.3	21.1	0	0	0	111.7
440	A	31.3	Very low	33.6	Very low	88 Å²	88	132.1 Å²	132.1	73%	0.727	78%	0.776	S	S	*	*			cis	72.1	120.3	41.9	0	0	0	0	0	113.4	I438	I438-A440 HydrophobicContact CG2-CB 4.15Å
441	S	25	Very low	33.9	Very low	104 Å²	104	134.7 Å²	134.7	73%	0.727	79%	0.785	S	S	*	*			trans	-92.1	148.3	174.4	52.9	0	0	0	0	111.9
442	W	26.8	Very low	34.1	Very low	236 Å²	236	131.5 Å²	131.5	89%	0.894	79%	0.79	S	S	*	*				173.6	144.3	123.2	-100.6	92.1	0	0	0	109.9
443	S	26.3	Very low	34.2	Very low	110 Å²	110	130.3 Å²	130.3	77%	0.769	79%	0.792	S	S	*	*			trans	72.7	153.2	166.9	-54.9	0	0	0	0	120.1
444	Q	29.5	Very low	35.3	Very low	182 Å²	182	129.3 Å²	129.3	85%	0.85	79%	0.788	S	S	*	*			trans	-134	-165.1	-178.4	-49.1	-177.6	-21.1	0	0	109.4
445	P	50.7	Low	35.5	Very low	109 Å²	109	125.6 Å²	125.6	71%	0.708	78%	0.784	S	S	*	*			cis	-123.1	-142.3	-37.6	24.3	0.3	0	0	0	110.4
446	P	57.5	Low	36	Very low	114 Å²	114	127.3 Å²	127.3	74%	0.74	79%	0.789	S	S	*	*				-115.5	-149.6	-86.9	43.4	-27.4	0	0	0	111.2
447	P	57.8	Low	36.3	Very low	120 Å²	120	124.7 Å²	124.7	78%	0.779	77%	0.772	S	S	*	*			cis	-135.3	-167.6	-14	41.9	-22.8	0	0	0	116.2
448	A	31	Very low	36.7	Very low	99 Å²	99	129.4 Å²	129.4	82%	0.818	78%	0.775	S	S	*	*			trans	101.6	160.5	152	0	0	0	0	0	121.9
449	Q	33.8	Very low	36.5	Very low	186 Å²	186	128.9 Å²	128.9	87%	0.869	77%	0.769	S	S	*	*			trans	-116.6	-164.5	-176.5	-44.7	176.6	-59.3	0	0	110.1
450	P	51.7	Low	36.5	Very low	103 Å²	103	130.6 Å²	130.6	67%	0.669	77%	0.771	S	S	*	*			cis	-141.9	178.1	-9.7	40.8	-20.6	0	0	0	118.1
451	Q	34.4	Very low	37.1	Very low	179 Å²	179	131.4 Å²	131.4	84%	0.836	77%	0.768	S	S	*	*			trans	67.2	134.9	139.9	-85.8	178.8	-13.2	0	0	127.7
452	S	32.3	Very low	37.2	Very low	120 Å²	120	132.2 Å²	132.2	84%	0.839	77%	0.769	S	S	*	*			trans	99	155.3	130.4	71.6	0	0	0	0	124.4
453	S	29.1	Very low	37.1	Very low	114 Å²	114	132.6 Å²	132.6	80%	0.797	77%	0.77	S	S	*	*			trans	-108.3	-166.2	-172.9	-36.2	0	0	0	0	112.6
454	P	50.1	Low	37.4	Very low	125 Å²	125	135 Å²	135	81%	0.812	77%	0.77	S	S	*	*			cis	-115.3	-155.6	32.8	45.2	-35	0	0	0	113.8
455	G	29.6	Very low	37.6	Very low	67 Å²	67	131.8 Å²	131.8	69%	0.691	76%	0.764	S	S	*	*			cis	102.1	148.4	1.4	0	0	0	0	0	115
456	N	38.3	Very low	36.3	Very low	165 Å²	165	133.3 Å²	133.3	88%	0.882	77%	0.767	S	S	*	*			cis	-166.2	169	-5.4	-169	73.4	0	0	0	111.5
457	G	32.1	Very low	35.2	Very low	48 Å²	48	134.5 Å²	134.5	50%	0.495	77%	0.771	S	S	.	*			trans	169.6	-171.9	173.6	0	0	0	0	0	112.8
458	H	34.2	Very low	34.1	Very low	169 Å²	169	134 Å²	134	78%	0.782	77%	0.768	S	S	*	*			cis	179.1	163.5	-28.2	-83.3	-48.6	0	0	0	108.4
459	E	33.1	Very low	33.7	Very low	153 Å²	153	136.1 Å²	136.1	72%	0.715	77%	0.77	S	S	*	*			cis	-167.1	164.4	-48.7	-137.9	162.4	-66.3	0	0	113.3
460	I	32.2	Very low	33.6	Very low	152 Å²	152	137.6 Å²	137.6	78%	0.779	77%	0.768	S	S	*	*			trans	68.7	138.8	165.1	-58.1	179.1	0	0	0	119.2
461	P	43.6	Very low	32.4	Very low	105 Å²	105	138.5 Å²	138.5	68%	0.682	78%	0.777	S	S	*	*			cis	-124.6	162	-9.9	36.8	-20.4	0	0	0	117.3
462	T	26.7	Very low	31.9	Very low	121 Å²	121	137.3 Å²	137.3	74%	0.742	78%	0.777	S	S	*	*			trans	27.9	132.7	150.8	62.7	0	0	0	0	121.6
463	W	25.9	Very low	31.7	Very low	243 Å²	243	136.4 Å²	136.4	92%	0.92	77%	0.77	S	S	*	*			cis	-145.2	172.1	44.3	-94.1	77.4	0	0	0	113.6
464	Q	32.2	Very low	31.4	Very low	162 Å²	162	139.6 Å²	139.6	76%	0.757	77%	0.77	S	S	*	*			trans	-133.3	162.8	-173.1	-96.8	-168.3	16.4	0	0	111.2
465	P	32.6	Very low	30.2	Very low	113 Å²	113	140.1 Å²	140.1	73%	0.734	77%	0.766	S	S	*	*				-153.4	169.5	54.6	43.1	-21.8	0	0	0	120.9
466	N	23.6	Very low	30.1	Very low	142 Å²	142	142.1 Å²	142.1	76%	0.759	76%	0.761	S	S	*	*			trans	28.4	124.9	148.9	-65.4	-6.2	0	0	0	124.5
467	V	34.1	Very low	29.7	Very low	138 Å²	138	140.4 Å²	140.4	84%	0.836	75%	0.747	S	S	*	*			trans	-37.1	135.7	145.1	172.2	0	0	0	0	112.7
468	P	35.3	Very low	29.5	Very low	110 Å²	110	146.3 Å²	146.3	71%	0.714	76%	0.762	S	S	*	*				-160	167.4	88.5	43.1	-22.4	0	0	0	121.3
469	V	23.1	Very low	29.1	Very low	143 Å²	143	141.9 Å²	141.9	87%	0.867	76%	0.761	S	S	*	*			trans	79	154.7	141.5	156.8	0	0	0	0	122
470	R	31.2	Very low	28.8	Very low	217 Å²	217	141.7 Å²	141.7	82%	0.819	77%	0.765	S	S	*	*			trans	-78.7	160.5	179.7	-56.2	167.9	169.5	170.2	-5.1	113.1
471	S	25.6	Very low	28.6	Very low	123 Å²	123	144 Å²	144	86%	0.86	76%	0.764	S	S	*	*			trans	-173	167.3	136.4	-90.5	0	0	0	0	115
472	N	25.5	Very low	27.8	Very low	154 Å²	154	146.8 Å²	146.8	82%	0.824	77%	0.768	S	S	*	*			trans	-100.4	177.2	173	-77.9	-33.6	0	0	0	111.9
473	S	27.2	Very low	27.7	Very low	100 Å²	100	145.9 Å²	145.9	70%	0.699	77%	0.766	S	S	*	*			trans	104.1	114.9	140.7	-63.4	0	0	0	0	121.8
474	F	23.9	Very low	27.7	Very low	182 Å²	182	142.6 Å²	142.6	80%	0.798	76%	0.761	S	S	*	*				63.7	132.8	128.9	-80.4	-80	0	0	0	124.7
475	N	25.1	Very low	27.5	Very low	135 Å²	135	140.9 Å²	140.9	72%	0.722	77%	0.767	S	S	*	*			trans	67.3	165.6	141.4	-78.6	-19.3	0	0	0	120.4
476	N	26.1	Very low	27.5	Very low	109 Å²	109	140.8 Å²	140.8	58%	0.583	77%	0.769	S	S	*	*			cis	-175	162.2	-41.7	-157.2	-19.4	0	0	0	108.5
477	H	30.6	Very low	27.9	Very low	130 Å²	130	139.6 Å²	139.6	60%	0.602	77%	0.772	S	S	*	*			trans	63.2	164.8	165.8	-68.5	109.8	0	0	0	117.4
478	H	27.3	Very low	28.1	Very low	172 Å²	172	138.3 Å²	138.3	80%	0.796	77%	0.769	S	S	*	*			cis	-173.2	150.5	-46.1	-122.7	53.1	0	0	0	109.3
479	G	26.9	Very low	28.3	Very low	75 Å²	75	141.1 Å²	141.1	77%	0.773	77%	0.772	S	S	*	*			trans	105.3	164.7	162.3	0	0	0	0	0	116.2
480	N	26.5	Very low	29.2	Very low	150 Å²	150	140.1 Å²	140.1	80%	0.802	77%	0.769	S	S	*	*			cis	-158.2	146.8	-21.1	-170.4	21.3	0	0	0	110.2
481	R	27	Very low	29.2	Very low	199 Å²	199	134.9 Å²	134.9	75%	0.751	77%	0.765	S	S	*	*			trans	0.2	130.7	172.1	-73.2	177.1	176.1	-158.9	0.8	122.5
482	Q	26.7	Very low	29.4	Very low	165 Å²	165	133.9 Å²	133.9	77%	0.771	77%	0.765	S	S	*	*			trans	67.2	128.5	131.6	-61.3	168.7	-50.9	0	0	118
483	S	26.1	Very low	30	Very low	101 Å²	101	132.8 Å²	132.8	71%	0.706	76%	0.764	S	S	*	*				-173	164.5	57.3	54.9	0	0	0	0	115.7
484	H	26.2	Very low	30.1	Very low	174 Å²	174	134.5 Å²	134.5	81%	0.806	77%	0.77	S	S	*	*			trans	63.5	144	157.1	-67.1	-62.1	0	0	0	125.7
485	S	27.4	Very low	31	Very low	126 Å²	126	132.1 Å²	132.1	88%	0.881	77%	0.77	S	S	*	*			trans	75.2	162.1	162	77.3	0	0	0	0	118.5
486	S	32.5	Very low	31.2	Very low	111 Å²	111	131.9 Å²	131.9	78%	0.776	77%	0.774	S	S	*	*			trans	-149.2	120.7	-150.3	56.2	0	0	0	0	116
487	S	31.7	Very low	31.3	Very low	118 Å²	118	130.7 Å²	130.7	83%	0.825	78%	0.779	S	S	*	*			trans	165.7	150.2	142.4	43.7	0	0	0	0	110.8
488	S	38.1	Very low	31.5	Very low	110 Å²	110	132.6 Å²	132.6	77%	0.769	79%	0.792	S	S	*	*			cis	-165.3	91.7	-26.9	50.5	0	0	0	0	110.4
489	Q	39.3	Very low	31.6	Very low	169 Å²	169	129.9 Å²	129.9	79%	0.79	79%	0.788	S	S	*	*			trans	-158.1	154.8	177	-91.2	-72.6	-24.2	0	0	106.4
490	P	42.6	Very low	32.1	Very low	123 Å²	123	131.6 Å²	131.6	80%	0.799	79%	0.786	S	S	*	*				-157.7	-173.3	90.4	42.6	-22.1	0	0	0	116.4
491	S	30.4	Very low	32.4	Very low	106 Å²	106	128.8 Å²	128.8	74%	0.741	78%	0.783	S	S	*	*			trans	-106.8	-178.8	-179.5	-39.4	0	0	0	0	114.4
492	A	30.6	Very low	32.9	Very low	103 Å²	103	125 Å²	125	85%	0.851	78%	0.784	S	S	*	*			trans	83.7	168.2	147.4	0	0	0	0	0	120.3
493	T	37.3	Very low	33.7	Very low	130 Å²	130	125.1 Å²	125.1	80%	0.798	79%	0.788	S	S	*	*			trans	-105.9	142.1	-163.5	48.5	0	0	0	0	113.5
494	T	30.1	Very low	34.2	Very low	136 Å²	136	128.8 Å²	128.8	83%	0.834	79%	0.794	S	S	*	*			trans	-174.6	156.1	134.8	-81.3	0	0	0	0	111.5
495	V	41.8	Very low	35	Very low	132 Å²	132	128.8 Å²	128.8	80%	0.8	80%	0.795	S	S	*	*			trans	-48.2	147.7	178.3	178.9	0	0	0	0	114.6
496	T	30.2	Very low	35.7	Very low	130 Å²	130	128.7 Å²	128.7	80%	0.798	79%	0.791	S	S	*	*			trans	-136.1	155	159.9	-61.9	0	0	0	0	110.3
497	A	27.9	Very low	35.9	Very low	84 Å²	84	130.1 Å²	130.1	69%	0.694	80%	0.795	S	S	*	*			trans	-68.4	161.4	-172.4	0	0	0	0	0	114.4	T499	A497-T499 PolarHBondContact O-N 3.34Å
498	I	34.6	Very low	36.2	Very low	170 Å²	170	133.7 Å²	133.7	87%	0.872	80%	0.795	S	S	*	*			trans	-76	91.4	174.7	-55.4	176.7	0	0	0	109.6
499	T	30.3	Very low	36	Very low	116 Å²	116	134.2 Å²	134.2	71%	0.712	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-66	133.8	160.5	-52.6	0	0	0	0	108.9	A497 A501	A497-T499 PolarHBondContact O-N 3.34Å; T499-A501 PolarHBondContact O-N 2.82Å
500	P	37.6	Very low	35.9	Very low	111 Å²	111	134.6 Å²	134.6	72%	0.721	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-64	128.4	173.4	26.5	-33.6	0	0	0	110.4
501	A	32.7	Very low	35.5	Very low	90 Å²	90	140.7 Å²	140.7	74%	0.744	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-64.5	146	176.6	0	0	0	0	0	111.2	T499	T499-A501 PolarHBondContact O-N 2.82Å
502	P	36.7	Very low	35.6	Very low	119 Å²	119	142.4 Å²	142.4	77%	0.773	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-67.2	141.9	-174.4	26.9	-35.1	0	0	0	112.5	Q504	P502-Q504 PolarHBondContact O-N 2.88Å; P502-Q504 VanDerWaalsContact O-N 3.15Å
503	I	43.7	Very low	35.9	Very low	168 Å²	168	145.3 Å²	145.3	86%	0.862	82%	0.816	S	S	*	*			trans	-66.5	110.2	175.1	-59.6	171.8	0	0	0	108.8
504	Q	36.3	Very low	35.8	Very low	178 Å²	178	148.6 Å²	148.6	83%	0.832	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-76.1	141.6	168.1	-67	-168.4	-2.7	0	0	110.5	P502	P502-Q504 PolarHBondContact O-N 2.88Å; P502-Q504 VanDerWaalsContact O-N 3.15Å
505	Q	43.9	Very low	36.1	Very low	175 Å²	175	147.5 Å²	147.5	82%	0.818	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-73.1	152.5	178.2	-70.8	-167.3	5.1	0	0	111.9	V507	Q505-V507 PolarHBondContact O-N 3.01Å
506	P	40.7	Very low	35.6	Very low	123 Å²	123	148.7 Å²	148.7	80%	0.799	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-63.8	127.2	-178.2	25.1	-34.8	0	0	0	112.5	K508	P506-K508 PolarHBondContact O-N 3.37Å
507	V	37.4	Very low	35.6	Very low	142 Å²	142	151 Å²	151	86%	0.861	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-69.2	127.7	177.2	-177.8	0	0	0	0	110.1	Q505	Q505-V507 PolarHBondContact O-N 3.01Å
508	K	38.6	Very low	35.9	Very low	192 Å²	192	154.1 Å²	154.1	84%	0.835	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-76.1	140	178.2	-65.2	175.3	-178	172.5	0	110.8	P506 M510	P506-K508 PolarHBondContact O-N 3.37Å; K508-M510 PolarHBondContact O-N 3Å
509	S	33.7	Very low	36	Very low	121 Å²	121	152.6 Å²	152.6	85%	0.846	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-70.5	119.7	-179.8	53.7	0	0	0	0	112.8
510	M	37.3	Very low	36	Very low	178 Å²	178	151.6 Å²	151.6	88%	0.877	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-78	144.7	165.4	-71.9	172.6	60.8	0	0	110.7	K508	K508-M510 PolarHBondContact O-N 3Å
511	R	34	Very low	35.8	Very low	251 Å²	251	154.2 Å²	154.2	95%	0.947	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-80.8	130	172.3	-60.7	-176.3	-169.8	176.7	4.3	109.7
512	V	32.6	Very low	35.6	Very low	141 Å²	141	154.3 Å²	154.3	86%	0.855	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-93.8	134.8	165.5	-179.8	0	0	0	0	108.3
513	L	35.4	Very low	35.4	Very low	164 Å²	164	154.7 Å²	154.7	86%	0.859	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-75.4	144.5	176.5	-76.2	166.8	0	0	0	111.1
514	K	36.2	Very low	34.9	Very low	199 Å²	199	153.3 Å²	153.3	87%	0.865	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-77.2	122.4	177	179.5	-174.9	175.5	-172.4	0	109.5
515	P	35.4	Very low	34.6	Very low	114 Å²	114	153.7 Å²	153.7	74%	0.74	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-69.7	150.3	172.9	29.2	-34	0	0	0	111.5
516	E	32.3	Very low	34.1	Very low	156 Å²	156	150.9 Å²	150.9	73%	0.729	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-88.1	147	-178.8	-170.6	172.9	-120	0	0	111.6	Q518	E516-Q518 PolarHBondContact O-N 3.12Å; E516-Q518 PolarHBondContact OE2-NE2 2.89Å
517	L	29.6	Very low	33.5	Very low	179 Å²	179	151.1 Å²	151.1	94%	0.937	83%	0.833	S	S	*	*			trans	-84.7	86.5	177.8	-95.8	166.1	0	0	0	110.5
518	Q	33.9	Very low	33.2	Very low	150 Å²	150	156.7 Å²	156.7	70%	0.701	84%	0.839	S	S	*	*			trans	-89.6	135.9	169.9	-64.4	-170.4	1.2	0	0	111	E516 A520	E516-Q518 PolarHBondContact O-N 3.12Å; E516-Q518 PolarHBondContact OE2-NE2 2.89Å; Q518-A520 PolarHBondContact O-N 2.81Å
519	T	36.7	Very low	32.7	Very low	137 Å²	137	156.1 Å²	156.1	84%	0.84	84%	0.841	S	S	*	*			trans	-73.9	110	-178	-61.7	0	0	0	0	109.9
520	A	30.8	Very low	32.7	Very low	96 Å²	96	156 Å²	156	79%	0.793	84%	0.838	S	S	*	*			trans	-95.3	120.3	178.5	0	0	0	0	0	111.6	Q518	Q518-A520 PolarHBondContact O-N 2.81Å
521	L	33	Very low	32.3	Very low	165 Å²	165	156 Å²	156	86%	0.864	84%	0.836	S	S	*	*			trans	-80.5	174.8	169.4	-71	166.4	0	0	0	111.2
522	A	28.6	Very low	32.4	Very low	92 Å²	92	149.3 Å²	149.3	76%	0.76	83%	0.825	S	S	*	*			trans	-63.3	148.1	-169.3	0	0	0	0	0	114.3
523	P	33.7	Very low	32.2	Very low	128 Å²	128	149.5 Å²	149.5	83%	0.831	83%	0.826	S	S	*	*			trans	-81.2	139.4	-175.4	32.3	-35.6	0	0	0	113.7
524	T	31.8	Very low	31.9	Very low	138 Å²	138	150.6 Å²	150.6	85%	0.847	83%	0.827	S	S	*	*			trans	-107.4	155.9	161.3	49	0	0	0	0	110.7
525	H	29.8	Very low	31.4	Very low	187 Å²	187	147.7 Å²	147.7	87%	0.866	83%	0.825	S	S	*	*			trans	-77	161.4	-171.9	-88.6	-83.1	0	0	0	114.2
526	P	33.9	Very low	30.9	Very low	115 Å²	115	149.2 Å²	149.2	75%	0.747	83%	0.833	S	S	*	*			trans	-95.1	170.4	-155	37.2	-38.2	0	0	0	115.7
527	S	27.7	Very low	30.6	Very low	128 Å²	128	150.4 Å²	150.4	90%	0.895	84%	0.838	S	S	*	*			trans	-122	149.2	162	-67.9	0	0	0	0	110.9
528	W	32.8	Very low	30.3	Very low	260 Å²	260	148.7 Å²	148.7	99%	0.985	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-75.5	151.7	-174	-96.3	-44.6	0	0	0	114.1
529	M	27.4	Very low	29.9	Very low	179 Å²	179	149.1 Å²	149.1	88%	0.882	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-88.4	138.4	148.1	-86.7	-174.7	166.1	0	0	109.9
530	P	33.8	Very low	30.1	Very low	119 Å²	119	147 Å²	147	77%	0.773	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-80.6	161.9	165.3	33.9	-33.7	0	0	0	112.2
531	Q	28.6	Very low	30	Very low	179 Å²	179	151.7 Å²	151.7	84%	0.836	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-95.7	159	166.8	-85	-81.4	-40.9	0	0	110.4
532	P	37.5	Very low	29.7	Very low	110 Å²	110	148.3 Å²	148.3	71%	0.714	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-86.9	161.1	-161.8	35.1	-36.1	0	0	0	114.2
533	V	27.4	Very low	29.5	Very low	145 Å²	145	153 Å²	153	88%	0.879	83%	0.828	S	S	*	*			trans	-129	151	169.5	-177.7	0	0	0	0	109.4
534	Q	29.1	Very low	29.3	Very low	187 Å²	187	152 Å²	152	87%	0.874	83%	0.825	S	S	*	*			trans	-82.6	159.5	-168.8	-65.6	163.5	-25.4	0	0	113.7
535	T	25	Very low	29.8	Very low	137 Å²	137	150.9 Å²	150.9	84%	0.84	82%	0.819	S	S	*	*			trans	-81	127.9	171.8	49.6	0	0	0	0	112.5
536	V	26	Very low	29.8	Very low	147 Å²	147	146.3 Å²	146.3	89%	0.891	81%	0.809	S	S	*	*			trans	-135.4	147.2	146.7	-177.2	0	0	0	0	107.8
537	Q	26.3	Very low	29.6	Very low	180 Å²	180	146.5 Å²	146.5	84%	0.841	81%	0.808	S	S	*	*			trans	-89.9	153.8	-168.9	-59.9	158.3	-29.4	0	0	112.7
538	T	22.3	Very low	29.7	Very low	144 Å²	144	146.9 Å²	146.9	88%	0.883	80%	0.8	S	S	*	*				-163.2	152.7	128	6.9	0	0	0	0	112.7
539	I	26.7	Very low	29.5	Very low	158 Å²	158	141.7 Å²	141.7	81%	0.81	79%	0.788	S	S	*	*			trans	-149.2	150.8	-177.4	-78.1	175.5	0	0	0	103.5
540	P	41	Very low	29.6	Very low	92 Å²	92	137.2 Å²	137.2	60%	0.597	78%	0.78	S	S	*	*			cis	-137.5	-170.7	18.9	23.2	4.2	0	0	0	116
541	F	27.2	Very low	29.3	Very low	196 Å²	196	137 Å²	137	86%	0.86	78%	0.776	S	S	*	*			trans	67.2	151.6	155.4	-66	-53.6	0	0	0	118.6
542	S	26.8	Very low	29.2	Very low	93 Å²	93	137 Å²	137	65%	0.65	78%	0.778	S	S	*	*			cis	-163.6	173.5	-12.4	46.6	0	0	0	0	112.2
543	E	24.6	Very low	29	Very low	191 Å²	191	136.9 Å²	136.9	89%	0.893	78%	0.78	S	S	*	*			trans	80	162.8	161	-61.2	-170.4	124.4	0	0	120.7
544	S	29.5	Very low	30	Very low	108 Å²	108	135.4 Å²	135.4	76%	0.755	77%	0.773	S	S	*	*			trans	-143.3	-166.7	-165.2	76.2	0	0	0	0	108.3
545	P	43.1	Very low	30	Very low	113 Å²	113	133.2 Å²	133.2	73%	0.734	77%	0.772	S	S	*	*			cis	-117.6	-148.7	11.8	23.1	4.7	0	0	0	111.1
546	S	28.7	Very low	30.3	Very low	92 Å²	92	131 Å²	131	64%	0.643	77%	0.768	S	S	*	*			cis	-159.8	162.5	15.9	-39.8	0	0	0	0	114.5
547	T	29.5	Very low	30.4	Very low	119 Å²	119	133.1 Å²	133.1	73%	0.73	77%	0.768	S	S	*	*			trans	22.2	136.9	146.2	53.3	0	0	0	0	121.3
548	N	31.3	Very low	30.5	Very low	136 Å²	136	128.5 Å²	128.5	73%	0.727	76%	0.761	S	S	*	*			cis	-164.5	175.3	10	-121.2	-16.6	0	0	0	109.6
549	M	27.6	Very low	31.4	Very low	151 Å²	151	127.2 Å²	127.2	74%	0.744	76%	0.755	S	S	*	*			cis	-131.5	-166.6	3.4	-115.6	-170.8	-179	0	0	108.6
550	A	28.8	Very low	31.6	Very low	84 Å²	84	126.8 Å²	126.8	69%	0.694	75%	0.754	S	S	*	*			cis	69.5	150.8	34.4	0	0	0	0	0	115.4
551	V	28.5	Very low	31.2	Very low	114 Å²	114	132.4 Å²	132.4	69%	0.691	77%	0.765	S	S	*	*			cis	-132.6	124.3	13.4	170	0	0	0	0	113.7
552	M	27.1	Very low	31.3	Very low	180 Å²	180	132.5 Å²	132.5	89%	0.887	77%	0.768	S	S	*	*			trans	45.3	142.2	142.4	-55.9	178.8	71.2	0	0	125.7
553	S	31.8	Very low	31.4	Very low	107 Å²	107	131 Å²	131	75%	0.748	77%	0.768	S	S	*	*			trans	-86.7	176.9	164.1	-30	0	0	0	0	112.2
554	P	50.1	Low	32.1	Very low	114 Å²	114	127.9 Å²	127.9	74%	0.74	76%	0.764	S	S	*	*				-162.1	162.6	73.3	43.2	-21.3	0	0	0	121.2
555	V	29.1	Very low	32.9	Very low	141 Å²	141	128.1 Å²	128.1	86%	0.855	76%	0.763	S	S	*	*			trans	66	142.4	137.5	168.5	0	0	0	0	124.1
556	A	30.3	Very low	33.7	Very low	91 Å²	91	127.5 Å²	127.5	75%	0.752	76%	0.759	S	S	*	*			trans	71.3	158.7	164.9	0	0	0	0	0	117.6
557	E	27.6	Very low	34	Very low	191 Å²	191	129.2 Å²	129.2	89%	0.893	77%	0.768	S	S	*	*			cis	-149.2	178.3	8.2	-152.6	174.1	-172.9	0	0	111.7
558	A	29.6	Very low	33.9	Very low	84 Å²	84	132.9 Å²	132.9	69%	0.694	77%	0.769	S	S	*	*			trans	-143.1	151.1	169.9	0	0	0	0	0	110
559	P	41.3	Very low	34.5	Very low	117 Å²	117	132 Å²	132	76%	0.76	77%	0.771	S	S	*	*				-160.4	179.2	95.9	42.1	-22.3	0	0	0	118.4
560	N	30.3	Very low	34.7	Very low	148 Å²	148	133.6 Å²	133.6	79%	0.791	77%	0.774	S	S	*	*			trans	57.8	102.2	144.7	-74.6	-10.3	0	0	0	124.1
561	Y	32.9	Very low	35.2	Very low	211 Å²	211	138.2 Å²	138.2	83%	0.827	78%	0.781	S	S	*	*				23.1	137	102	-105.4	-89.5	0	0	0	121.4
562	Q	28.5	Very low	35.2	Very low	197 Å²	197	140.8 Å²	140.8	92%	0.921	79%	0.79	S	S	*	*			trans	-140.3	147	133.9	-104.5	-178.5	-3.2	0	0	110.3
563	G	29.6	Very low	35.3	Very low	62 Å²	62	138.6 Å²	138.6	64%	0.639	78%	0.781	S	S	*	*			trans	-107.3	-151.1	-174.1	0	0	0	0	0	113.8
564	P	39.2	Very low	35.1	Very low	126 Å²	126	140.8 Å²	140.8	82%	0.818	78%	0.779	S	S	*	*			cis	-130.1	172.6	21.9	42	-27.2	0	0	0	117.1
565	P	45.8	Very low	34	Very low	113 Å²	113	143.9 Å²	143.9	73%	0.734	78%	0.784	S	S	*	*			trans	-111.3	-158.9	169.2	42.3	-31.6	0	0	0	111.6
566	P	59.8	Low	34	Very low	100 Å²	100	144.4 Å²	144.4	65%	0.649	78%	0.782	S	S	*	*				-114.3	-148.8	-56.3	30.6	-9.5	0	0	0	110.1
567	P	35.8	Very low	34.6	Very low	127 Å²	127	145.2 Å²	145.2	83%	0.825	78%	0.78	S	S	*	*				-141.2	159.4	95.6	37.8	-24.5	0	0	0	116.6
568	Y	27.1	Very low	34.5	Very low	196 Å²	196	140.6 Å²	140.6	77%	0.769	77%	0.768	S	S	*	*			trans	-101.1	155.8	171.4	-104.2	-99.1	0	0	0	110.3
569	P	43.3	Very low	34.3	Very low	118 Å²	118	142.6 Å²	142.6	77%	0.766	77%	0.771	S	S	*	*				-151.6	-173	84.1	38.7	-19	0	0	0	114.4
570	K	31.9	Very low	33.6	Very low	185 Å²	185	144.2 Å²	144.2	80%	0.804	77%	0.774	S	S	*	*			cis	-161.1	179.6	-42.7	-98.9	-170.7	175.7	-177.3	0	107.6
571	H	39.4	Very low	34.3	Very low	181 Å²	181	141.6 Å²	141.6	84%	0.838	77%	0.765	S	S	*	*			trans	-126.2	164.8	171.3	-45	-87.2	0	0	0	111.4
572	L	29.8	Very low	33.9	Very low	168 Å²	168	141.8 Å²	141.8	88%	0.88	77%	0.765	S	S	*	*			trans	-171.7	176.9	140.2	-105.8	166.9	0	0	0	113.3
573	L	29.1	Very low	33.8	Very low	133 Å²	133	140.3 Å²	140.3	70%	0.696	76%	0.759	S	S	*	*			trans	-100.6	165	-166.7	-74.9	85	0	0	0	115.6
574	H	27.5	Very low	33.6	Very low	154 Å²	154	143.8 Å²	143.8	71%	0.713	77%	0.768	S	S	*	*			trans	115.1	122.3	141.1	-70.6	119.8	0	0	0	120.4
575	Q	26.8	Very low	32.8	Very low	178 Å²	178	141.1 Å²	141.1	83%	0.832	76%	0.763	S	S	*	*			trans	64.8	144.1	137.3	-65	-179.7	11.6	0	0	123.2
576	N	28.5	Very low	32.6	Very low	152 Å²	152	141.7 Å²	141.7	81%	0.813	77%	0.766	S	S	*	*			trans	-61	167.2	165.5	-102.3	-13.2	0	0	0	112.1
577	P	43	Very low	31.2	Very low	109 Å²	109	146 Å²	146	71%	0.708	78%	0.775	S	S	*	*			cis	-153.3	176.3	43.5	40.8	-18.2	0	0	0	120.5
578	S	25.4	Very low	30.9	Very low	94 Å²	94	146.6 Å²	146.6	66%	0.657	77%	0.77	S	S	*	*			trans	69.3	117.3	137.1	64	0	0	0	0	124.3
579	V	25.7	Very low	30.7	Very low	125 Å²	125	142.5 Å²	142.5	76%	0.758	77%	0.771	S	S	*	*				90.1	134.4	116.9	169.6	0	0	0	0	122
580	N	25.4	Very low	30.1	Very low	151 Å²	151	144.7 Å²	144.7	81%	0.807	77%	0.768	S	S	*	*			trans	87.9	155.2	154.2	-85.7	4.9	0	0	0	122.7
581	P	45.1	Very low	29.8	Very low	93 Å²	93	143.3 Å²	143.3	60%	0.604	77%	0.765	S	S	*	*			trans	-139.4	-164.2	-137.5	31.6	-4.3	0	0	0	116
582	Y	25.4	Very low	29.3	Very low	215 Å²	215	143.1 Å²	143.1	84%	0.843	76%	0.764	S	S	*	*			trans	81.1	142.3	163	-68.2	-70.6	0	0	0	121.3
583	E	25.4	Very low	29.9	Very low	167 Å²	167	139.7 Å²	139.7	78%	0.78	75%	0.752	S	S	*	*			trans	89.2	136.7	138.8	-95.4	-166.4	155.4	0	0	125.7
584	T	25.6	Very low	30.8	Very low	135 Å²	135	138.9 Å²	138.9	83%	0.828	75%	0.754	S	S	*	*			trans	70.3	145.6	153.2	57.6	0	0	0	0	122.1
585	G	23	Very low	30.8	Very low	69 Å²	69	137.4 Å²	137.4	71%	0.711	76%	0.756	S	S	*	*			trans	-156.3	-178.8	162.2	0	0	0	0	0	109.4
586	P	40.6	Very low	31	Very low	125 Å²	125	135.7 Å²	135.7	81%	0.812	75%	0.752	S	S	*	*			trans	-114.7	149.5	161	1.9	20.9	0	0	0	112.1
587	K	30.7	Very low	31	Very low	192 Å²	192	133.3 Å²	133.3	84%	0.835	75%	0.747	S	S	*	*				71.6	141.7	51.9	-89.2	-172.1	177.8	177.8	0	113.7
588	L	30.4	Very low	30.4	Very low	138 Å²	138	135.3 Å²	135.3	72%	0.723	75%	0.745	S	S	*	*			cis	-167.2	150.7	1.6	177.5	67.4	0	0	0	111.7
589	S	22.5	Very low	30.6	Very low	111 Å²	111	136.9 Å²	136.9	78%	0.776	74%	0.742	S	S	*	*			trans	-170.6	109.8	138.6	30.9	0	0	0	0	114.1
590	K	30.8	Very low	30.8	Very low	163 Å²	163	138.5 Å²	138.5	71%	0.709	74%	0.741	S	S	*	*			trans	40.4	147.7	140.1	-75.1	-178.7	161.1	-136.2	0	121.9
591	E	25.1	Very low	31	Very low	157 Å²	157	139 Å²	139	73%	0.734	74%	0.739	S	S	*	*			cis	-150.5	-172.7	6.7	-142.3	138.9	-159.8	0	0	112.9
592	E	28.7	Very low	30.1	Very low	176 Å²	176	138.6 Å²	138.6	82%	0.822	74%	0.738	S	S	*	*			trans	-119.8	-171.4	-164.8	-109	-164	135.1	0	0	112.5
593	P	43.5	Very low	30.3	Very low	96 Å²	96	133.4 Å²	133.4	62%	0.623	73%	0.725	S	S	*	*			cis	-134.4	-142	-40.6	36.3	-15.3	0	0	0	110.6
594	P	46.9	Very low	30.5	Very low	116 Å²	116	132.3 Å²	132.3	75%	0.753	72%	0.717	S	S	*	*				-99	-137.4	-54.4	12.8	8.3	0	0	0	112
595	V	29.3	Very low	30.4	Very low	123 Å²	123	129.8 Å²	129.8	75%	0.745	71%	0.705	S	S	*	*			cis	-148.7	176.3	14.8	178.4	0	0	0	0	111.6
596	L	30.4	Very low	30.8	Very low	143 Å²	143	136 Å²	136	75%	0.749	71%	0.708	S	S	*	*			trans	-58.1	174.6	179.9	-88.6	66	0	0	0	118.2
597	S	27.6	Very low	30.2	Very low	102 Å²	102	138.3 Å²	138.3	71%	0.713	71%	0.708	S	S	*	*			cis	-137.9	144.1	11.4	41.2	0	0	0	0	111.5
598	K	31.5	Very low	30	Very low	150 Å²	150	133.7 Å²	133.7	65%	0.652	70%	0.699	S	S	*	*				62.7	139.7	71.7	-81.5	-173	139.5	-151.1	0	113.4
599	E	28.1	Very low	30	Very low	128 Å²	128	133.5 Å²	133.5	60%	0.598	70%	0.703	S	S	*	*			cis	-163.4	151.4	23.9	-128	150	-163.1	0	0	113.6
600	E	31.6	Very low	30.1	Very low	158 Å²	158	134.7 Å²	134.7	74%	0.738	70%	0.701	S	S	*	*			trans	52.8	162.8	139.1	-77.5	161.2	-155.3	0	0	123.3
601	E	28.6	Very low	29.9	Very low	163 Å²	163	131 Å²	131	76%	0.762	70%	0.696	S	S	*	*			cis	-149.4	-157	4.6	-138.3	-145.3	110.2	0	0	115.5
602	S	26.2	Very low	30.1	Very low	83 Å²	83	129.4 Å²	129.4	58%	0.58	70%	0.697	S	S	*	*			trans	-79.6	-171.9	-164.8	66.2	0	0	0	0	117.6
603	D	30	Very low	30.3	Very low	107 Å²	107	128 Å²	128	57%	0.572	70%	0.695	S	S	*	*			cis	-163.8	171.2	9.5	-143.5	-20	0	0	0	115.1
604	K	28.5	Very low	29.9	Very low	144 Å²	144	133.4 Å²	133.4	63%	0.626	71%	0.709	S	S	*	*			trans	28.9	125.5	155.2	-75.1	144.2	-157.9	152.5	0	122.4
605	S	24.8	Very low	29.3	Very low	81 Å²	81	135.3 Å²	135.3	57%	0.566	71%	0.708	S	S	*	*				63.5	143.7	78.8	80.1	0	0	0	0	115.6
606	Y	30.4	Very low	29.6	Very low	201 Å²	201	139.5 Å²	139.5	79%	0.788	72%	0.716	S	S	*	*			cis	-148.9	165.3	41.8	-62.8	-95.8	0	0	0	116.2
607	E	29	Very low	30	Very low	172 Å²	172	140.4 Å²	140.4	80%	0.804	71%	0.714	S	S	*	*			trans	-22.4	162.4	161.9	-65.4	-153.4	101.4	0	0	122.2
608	C	26.9	Very low	30.4	Very low	96 Å²	96	144.1 Å²	144.1	65%	0.649	72%	0.72	S	S	*	*			cis	-169.5	-169.3	-12.1	-103.2	0	0	0	0	108.4
609	V	28.9	Very low	30.6	Very low	133 Å²	133	144.2 Å²	144.2	81%	0.806	73%	0.726	S	S	*	*			cis	-127.7	-116.5	10.2	-157.9	0	0	0	0	111.4
610	D	26	Very low	30.9	Very low	137 Å²	137	143.9 Å²	143.9	73%	0.733	73%	0.733	S	S	*	*			cis	-154.7	158.5	1.4	-172	32.8	0	0	0	114.4
611	S	26.4	Very low	31.4	Very low	86 Å²	86	142.3 Å²	142.3	60%	0.601	73%	0.734	S	S	*	*			trans	6	132.2	163.6	-63.3	0	0	0	0	124.3
612	T	29.6	Very low	31.6	Very low	123 Å²	123	139.5 Å²	139.5	76%	0.755	73%	0.732	S	S	*	*			trans	82.3	99	150.1	58.7	0	0	0	0	121.9
613	D	32.5	Very low	32.5	Very low	147 Å²	147	141.6 Å²	141.6	79%	0.786	74%	0.744	S	S	*	*			trans	38.8	114.9	130.1	-58.7	-41.4	0	0	0	121.1
614	K	34.5	Very low	33.3	Very low	209 Å²	209	142.4 Å²	142.4	91%	0.909	75%	0.752	S	S	*	*			trans	-145.4	142.9	131.6	-68.7	-154.3	171.8	80.4	0	112.3
615	E	34.1	Very low	33.9	Very low	156 Å²	156	141.1 Å²	141.1	73%	0.729	76%	0.759	S	S	*	*			trans	-67.5	137.9	-171.1	-45.9	163.8	120.2	0	0	114.4	K617	E615-K617 PolarHBondContact O-N 3.46Å; E615-K617 IonicContact OE2-NZ 2.59Å; E615-K617 PolarHBondContact OE2-NZ 2.91Å
616	K	36.9	Very low	34.8	Very low	211 Å²	211	143.7 Å²	143.7	92%	0.917	77%	0.771	S	S	*	*			trans	-81.3	104.8	166.6	-74.4	-179.4	178.9	173.8	0	111	Q618	K616-Q618 PolarHBondContact O-N 2.84Å
617	K	37.9	Very low	35.2	Very low	162 Å²	162	144.8 Å²	144.8	70%	0.704	77%	0.774	S	S	*	*			trans	-79	99.4	172.7	-76.8	-178.5	171.2	87.7	0	111.1	E615 I619	E615-K617 PolarHBondContact O-N 3.46Å; E615-K617 IonicContact OE2-NZ 2.59Å; E615-K617 PolarHBondContact OE2-NZ 2.91Å; K617-I619 PolarHBondContact O-N 3.31Å
618	Q	36.5	Very low	36	Very low	180 Å²	180	145.2 Å²	145.2	84%	0.841	77%	0.773	S	S	*	*			trans	-62.2	114.4	174.2	-174.5	177.9	14.4	0	0	110.8	K616	K616-Q618 PolarHBondContact O-N 2.84Å
619	I	34.3	Very low	36.6	Very low	151 Å²	151	146.8 Å²	146.8	77%	0.774	78%	0.775	S	S	*	*			trans	-87.1	113.4	173	-61.5	177.8	0	0	0	108.4	K617 T621	K617-I619 PolarHBondContact O-N 3.31Å; I619-T621 PolarHBondContact O-N 2.87Å
620	T	36.3	Very low	37.3	Very low	121 Å²	121	149.8 Å²	149.8	74%	0.742	78%	0.777	S	S	*	*			trans	-80.5	94	175.6	41.2	0	0	0	0	110.8
621	T	41	Very low	38.1	Very low	125 Å²	125	152.4 Å²	152.4	77%	0.767	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-71.5	137.1	165.7	48.5	0	0	0	0	110.2	I619	I619-T621 PolarHBondContact O-N 2.87Å
622	S	34	Very low	38.8	Very low	104 Å²	104	153.2 Å²	153.2	73%	0.727	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-66.1	146.3	173.2	-54	0	0	0	0	110.7	V624	S622-V624 PolarHBondContact O-N 3.49Å
623	P	45	Very low	39.3	Very low	128 Å²	128	155.3 Å²	155.3	83%	0.831	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-58.9	123.1	179.6	-24.2	34.1	0	0	0	112	P625	P623-P625 WeakPolarHBondContact O-CD 3.44Å
624	V	45.4	Very low	40	Very low	123 Å²	123	156.9 Å²	156.9	75%	0.745	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-71.2	126.4	173.4	177.9	0	0	0	0	108.6	S622 V626	S622-V624 PolarHBondContact O-N 3.49Å; V624-V626 PolarHBondContact O-N 2.73Å
625	P	41.1	Very low	40.5	Very low	117 Å²	117	157.5 Å²	157.5	76%	0.76	78%	0.78	S	S	*	*			trans	-63.1	107.2	176.4	-23.9	35.2	0	0	0	111.5	P623 R627	P623-P625 WeakPolarHBondContact O-CD 3.44Å; P625-R627 PolarHBondContact O-N 3.34Å; P625-R627 VanDerWaalsContact O-N 3.09Å
626	V	44	Very low	41.1	Very low	136 Å²	136	157.6 Å²	157.6	82%	0.824	77%	0.774	S	S	*	*			trans	-66.8	108.1	178.5	179.5	0	0	0	0	109.3	V624 K628	V624-V626 PolarHBondContact O-N 2.73Å; V626-K628 PolarHBondContact O-N 2.59Å
627	R	39	Very low	41.6	Very low	224 Å²	224	156.5 Å²	156.5	85%	0.845	77%	0.772	S	S	*	*			trans	-70.2	102	169.8	-82.4	-165.6	168	94.7	3.9	109.8	P625	P625-R627 PolarHBondContact O-N 3.34Å; P625-R627 VanDerWaalsContact O-N 3.09Å
628	K	46.5	Very low	42.1	Very low	181 Å²	181	152.4 Å²	152.4	79%	0.787	76%	0.763	S	S	*	*			trans	-69.3	149.4	165.9	-147.9	174.4	-176.2	177.4	0	109.4	V626	V626-K628 PolarHBondContact O-N 2.59Å
629	N	38	Very low	42.8	Very low	128 Å²	128	156.3 Å²	156.3	68%	0.684	77%	0.771	S	S	*	*			trans	87	102.9	173.1	-51.1	-14.9	0	0	0	117	K631	N629-K631 PolarHBondContact O-N 3.01Å
630	K	44.5	Very low	43.7	Very low	197 Å²	197	155.4 Å²	155.4	86%	0.857	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	49.3	175.2	-164.4	-174.2	179.6	-177.1	0	112.4
631	K	42.7	Very low	44.6	Very low	192 Å²	192	155.6 Å²	155.6	84%	0.835	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.2	7.5	-177.6	-149.8	175.7	-179.7	177.4	0	114.8	N629	N629-K631 PolarHBondContact O-N 3.01Å
632	D	41.8	Very low	45.2	Very low	103 Å²	103	154.9 Å²	154.9	55%	0.551	76%	0.758	S	S	*	*	S	Bend	trans	-101.8	-8.8	-178.2	-110.2	33.5	0	0	0	113.6	R636	D632-R636 IonicContact OD2-NH2 2.8Å; D632-R636 PolarHBondContact OD2-NH2 2.82Å; D632-R636 VanDerWaalsContact OD2-NH2 3.13Å
633	E	40.3	Very low	46.5	Very low	166 Å²	166	155.7 Å²	155.7	78%	0.776	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-65.6	-39.8	-176.5	-76.6	178.2	125.5	0	0	112.7	R635	E633-R635 PolarHBondContact O-N 3.1Å
634	E	45.7	Very low	47.6	Very low	180 Å²	180	151.4 Å²	151.4	84%	0.841	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-73.6	-7.8	-174.8	-163.5	177.8	-137.6	0	0	114
635	R	44.8	Very low	48.9	Very low	223 Å²	223	151 Å²	151	84%	0.842	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-115.9	16.8	-174	-119.9	-177.1	-168.7	85.3	0.8	114.8	E633	E633-R635 PolarHBondContact O-N 3.1Å
636	R	47.3	Very low	49.9	Very low	158 Å²	158	150.6 Å²	150.6	60%	0.596	71%	0.707	S	S	*	*			trans	-140.2	52	177.9	-142.4	178.1	-56.9	146.5	11.4	113.9	D632 S638	D632-R636 IonicContact OD2-NH2 2.8Å; D632-R636 PolarHBondContact OD2-NH2 2.82Å; D632-R636 VanDerWaalsContact OD2-NH2 3.13Å; R636-S638 PolarHBondContact O-N 3.19Å
637	E	48.3	Very low	50.9	Low	187 Å²	187	144.6 Å²	144.6	87%	0.874	67%	0.672	S	S	*	*			trans	-47	99.4	155.3	-147.7	82.1	-102.1	0	0	108.7	R639	E637-R639 PolarHBondContact O-N 3.25Å
638	S	47.7	Very low	52.7	Low	76 Å²	76	139.4 Å²	139.4	53%	0.531	66%	0.656	S	S	.	*			trans	-76.1	123	-171.4	54.3	0	0	0	0	109.5	R636 I640	R636-S638 PolarHBondContact O-N 3.19Å; S638-I640 CarbonylContact O-C 3.58Å; S638-I640 PolarHBondContact O-N 3.05Å; S638-I640 PolarHBondContact OG-O 2.94Å
639	R	51.7	Low	54.1	Low	263 Å²	263	135.3 Å²	135.3	99%	0.992	64%	0.638	S	S	*	*	S	Bend	trans	-56.3	-5.6	167.4	-83.4	-177.2	160	-160.3	-4.3	114.3	E637	E637-R639 PolarHBondContact O-N 3.25Å
640	I	53.1	Low	55.5	Low	132 Å²	132	129.4 Å²	129.4	68%	0.677	61%	0.606	S	S	*	*	S	Bend	trans	-96.8	117.2	169.8	-55.6	171.8	0	0	0	106.5	S638 S642	S638-I640 CarbonylContact O-C 3.58Å; S638-I640 PolarHBondContact O-N 3.05Å; S638-I640 PolarHBondContact OG-O 2.94Å; I640-S642 PolarHBondContact O-N 3.06Å
641	Q	54.4	Low	57	Low	125 Å²	125	123.7 Å²	123.7	58%	0.584	58%	0.581	S	S	*	*			trans	-59.5	136.2	171.5	-68.8	-179.6	-82	0	0	109.8	Y643	Q641-Y643 HydrophobicContact CB-CD2 4.41Å; Q641-Y643 HydrophobicContact CB-CE1 4.43Å; Q641-Y643 HydrophobicContact CB-CE2 3.92Å; Q641-Y643 VanDerWaalsContact O-CD2 3.25Å; Q641-Y643 WeakPolarHBondContact O-CD2 3.27Å; Q641-Y643 PolarHBondContact O-N 3.32Å; Q641-Y643 PolarHBondContact OE1-OH 3.42Å; Q641-Y643 VanDerWaalsContact OE1-OH 3.05Å
642	S	54.8	Low	58.7	Low	109 Å²	109	118.1 Å²	118.1	76%	0.762	56%	0.559	S	S	*	*			trans	-79.7	66.5	-175.1	56.7	0	0	0	0	112.1	I640	I640-S642 PolarHBondContact O-N 3.06Å
643	Y	60.1	Low	60.5	Low	122 Å²	122	116.9 Å²	116.9	48%	0.478	55%	0.55	S	S	.	.			trans	-57.5	139.7	179.4	-63.8	-72.6	0	0	0	112.2	Q641 E1081	Q641-Y643 HydrophobicContact CB-CD2 4.41Å; Q641-Y643 HydrophobicContact CB-CE1 4.43Å; Q641-Y643 HydrophobicContact CB-CE2 3.92Å; Q641-Y643 VanDerWaalsContact O-CD2 3.25Å; Q641-Y643 WeakPolarHBondContact O-CD2 3.27Å; Q641-Y643 PolarHBondContact O-N 3.32Å; Q641-Y643 PolarHBondContact OE1-OH 3.42Å; Q641-Y643 VanDerWaalsContact OE1-OH 3.05Å; Y643-E1081 WeakPolarHBondContact CA-OE2 3.25Å; Y643-E1081 HydrophobicContact CD1-CB 4.26Å; Y643-E1081 HydrophobicContact CD1-CG 4.29Å
644	S	68.4	Low	62	Low	38 Å²	38	110 Å²	110	27%	0.266	52%	0.518	S	S	.	.			trans	-62.1	143.5	174.9	66.9	0	0	0	0	111.8	Q646 A647 F648 E1081	S644-Q646 PolarHBondContact O-N 3.46Å; S644-Q646 VanDerWaalsContact O-N 3.12Å; S644-A647 PolarHBondContact O-N 3.48Å; S644-A647 VanDerWaalsContact OG-CB 3.22Å; S644-A647 WeakPolarHBondContact OG-CB 3.37Å; S644-A647 PolarHBondContact OG-N 3.49Å; S644-F648 PolarHBondContact O-N 2.83Å; S644-E1081 PolarHBondContact N-OE2 3.31Å
645	P	71.9	Confident	63.5	Low	115 Å²	115	105.1 Å²	105.1	75%	0.747	50%	0.495	S	S	*	.	H	α-helix	trans	-57.1	-30.5	178.7	-27.8	35.6	0	0	0	113.9	K649	P645-K649 WeakPolarHBondContact O-CB 3.46Å; P645-K649 PolarHBondContact O-N 2.88Å
646	Q	63.6	Low	65.3	Low	108 Å²	108	97.8 Å²	97.8	51%	0.505	48%	0.475	S	S	.	.	H	α-helix	trans	-72.2	-39.6	176.1	-171.8	73.2	-26.8	0	0	112	S644 K649 F650	S644-Q646 PolarHBondContact O-N 3.46Å; S644-Q646 VanDerWaalsContact O-N 3.12Å; Q646-K649 PolarHBondContact O-N 2.43Å; Q646-F650 PolarHBondContact O-N 2.85Å
647	A	65.3	Low	66.8	Low	9 Å²	9	95.6 Å²	95.6	7%	0.074	47%	0.471	C	S	.	.	H	α-helix	trans	-65.7	-39.7	172.6	0	0	0	0	0	111.5	S644 F650 F651 H1082	S644-A647 PolarHBondContact O-N 3.48Å; S644-A647 VanDerWaalsContact OG-CB 3.22Å; S644-A647 WeakPolarHBondContact OG-CB 3.37Å; S644-A647 PolarHBondContact OG-N 3.49Å; A647-F650 PolarHBondContact O-N 3Å; A647-F651 WeakPolarHBondContact O-CB 3.39Å; A647-F651 PolarHBondContact O-N 3.34Å; A647-H1082 HydrophobicContact CB-CB 4.29Å
648	F	74.9	Confident	68.1	Low	116 Å²	116	89.9 Å²	89.9	51%	0.509	45%	0.447	S	S	.	.	H	α-helix	trans	-67.3	-38.4	174.3	-176.5	-102.4	0	0	0	112.7	S644 F651 M652	S644-F648 PolarHBondContact O-N 2.83Å; F648-F651 WeakPolarHBondContact O-CB 3.3Å; F648-F651 PolarHBondContact O-N 3.5Å; F648-M652 HydrophobicContact CD1-CG 4.21Å; F648-M652 HydrophobicContact CD2-CG 4.46Å; F648-M652 HydrophobicContact CE1-CG 3.69Å; F648-M652 HydrophobicContact CE2-CG 3.97Å; F648-M652 HydrophobicContact CE2-SD 4.21Å; F648-M652 HydrophobicContact CZ-CG 3.56Å; F648-M652 HydrophobicContact CZ-SD 3.9Å; F648-M652 WeakPolarHBondContact O-CB 3.48Å; F648-M652 WeakPolarHBondContact O-CG 3.1Å; F648-M652 PolarHBondContact O-N 2.69Å
649	K	76.4	Confident	69.7	Low	95 Å²	95	90.5 Å²	90.5	41%	0.413	44%	0.443	S	S	.	.	H	α-helix	trans	-60.2	-49.7	172.6	177.8	177.9	172	179.7	0	111.2	P645 Q646 M652 E653	P645-K649 WeakPolarHBondContact O-CB 3.46Å; P645-K649 PolarHBondContact O-N 2.88Å; Q646-K649 PolarHBondContact O-N 2.43Å; K649-M652 PolarHBondContact O-N 3.23Å; K649-M652 VanDerWaalsContact O-N 3.17Å; K649-E653 WeakPolarHBondContact CE-OE1 3.37Å; K649-E653 HydrophobicContact CG-CG 4.38Å; K649-E653 IonicContact NZ-OE1 2.99Å; K649-E653 WeakPolarHBondContact O-CG 3.11Å; K649-E653 PolarHBondContact O-N 3.39Å
650	F	67.8	Low	71.2	Confident	4 Å²	4	82.4 Å²	82.4	2%	0.018	42%	0.419	C	S	.	.	H	α-helix	trans	-61.6	-43.6	176.8	170.7	-114.5	0	0	0	112	Q646 A647 M652 E653 Q654 W864 H1082 Y1085	Q646-F650 PolarHBondContact O-N 2.85Å; A647-F650 PolarHBondContact O-N 3Å; F650-M652 VanDerWaalsContact C-N 3.29Å; F650-M652 PolarHBondContact O-N 2.81Å; F650-E653 PolarHBondContact O-N 2.93Å; F650-Q654 HydrophobicContact CD2-CB 4.47Å; F650-Q654 HydrophobicContact CE2-CB 4.05Å; F650-Q654 HydrophobicContact CE2-CG 4.28Å; F650-Q654 HydrophobicContact CZ-CB 4.37Å; F650-Q654 HydrophobicContact CZ-CG 4.34Å; F650-Q654 VanDerWaalsContact O-CB 3.29Å; F650-Q654 WeakPolarHBondContact O-CB 3.14Å; F650-Q654 PolarHBondContact O-N 2.84Å; F650-W864 AromaticContact CD2-CH2 3.78Å; F650-W864 HydrophobicContact CD2-CH2 3.78Å; F650-W864 HydrophobicContact CD2-CZ2 4.35Å; F650-W864 AromaticContact CE2-CH2 3.53Å; F650-W864 HydrophobicContact CE2-CH2 3.53Å; F650-W864 AromaticContact CE2-CZ2 4Å; F650-W864 HydrophobicContact CE2-CZ2 4Å; F650-W864 HydrophobicContact CZ-CH2 4.37Å; F650-H1082 HydrophobicContact CD1-CB 3.81Å; F650-H1082 HydrophobicContact CE1-CB 4.24Å; F650-Y1085 HydrophobicContact CD1-CD1 4.31Å; F650-Y1085 AromaticContact CE1-CD1 3.85Å; F650-Y1085 HydrophobicContact CE1-CD1 3.85Å
651	F	75.2	Confident	72.5	Confident	77 Å²	77	81 Å²	81	34%	0.338	41%	0.408	S	S	.	.	H	α-helix	trans	-49.8	-52.1	171.2	174.4	-68.7	0	0	0	110.3	A647 F648 H655 Y1085	A647-F651 WeakPolarHBondContact O-CB 3.39Å; A647-F651 PolarHBondContact O-N 3.34Å; F648-F651 WeakPolarHBondContact O-CB 3.3Å; F648-F651 PolarHBondContact O-N 3.5Å; F651-H655 HydrophobicContact CD1-CB 4.33Å; F651-H655 HydrophobicContact CE1-CB 4.27Å; F651-H655 WeakPolarHBondContact O-CA 3.09Å; F651-H655 WeakPolarHBondContact O-CB 3.32Å; F651-H655 PolarHBondContact O-N 2.85Å; F651-Y1085 HydrophobicContact CB-CE1 4.23Å; F651-Y1085 AromaticContact CD2-CD2 3.94Å; F651-Y1085 HydrophobicContact CD2-CD2 3.94Å; F651-Y1085 HydrophobicContact CD2-CE1 4.19Å; F651-Y1085 AromaticContact CD2-CE2 3.14Å; F651-Y1085 HydrophobicContact CD2-CE2 3.14Å; F651-Y1085 AromaticContact CD2-CZ 3.29Å; F651-Y1085 VanDerWaalsContact CD2-OH 3.29Å; F651-Y1085 WeakPolarHBondContact CD2-OH 3.25Å; F651-Y1085 HydrophobicContact CE2-CD2 4.43Å; F651-Y1085 AromaticContact CE2-CE2 3.41Å; F651-Y1085 HydrophobicContact CE2-CE2 3.41Å; F651-Y1085 VanDerWaalsContact CE2-CE2 3.41Å; F651-Y1085 AromaticContact CE2-CZ 3.72Å; F651-Y1085 WeakPolarHBondContact CE2-OH 3.5Å; F651-Y1085 HydrophobicContact CG-CE1 4.3Å; F651-Y1085 HydrophobicContact CG-CE2 4.03Å; F651-Y1085 AromaticContact CG-CZ 3.7Å; F651-Y1085 WeakPolarHBondContact CG-OH 3.39Å; F651-Y1085 HydrophobicContact CZ-CE2 4.45Å
652	M	80.1	Confident	73.6	Confident	75 Å²	75	75.8 Å²	75.8	37%	0.369	39%	0.385	S	S	.	.	H	α-helix	trans	-71.7	-43	-173.6	-73.6	-59.8	-59.4	0	0	113	F648 K649 F650 V656	F648-M652 HydrophobicContact CD1-CG 4.21Å; F648-M652 HydrophobicContact CD2-CG 4.46Å; F648-M652 HydrophobicContact CE1-CG 3.69Å; F648-M652 HydrophobicContact CE2-CG 3.97Å; F648-M652 HydrophobicContact CE2-SD 4.21Å; F648-M652 HydrophobicContact CZ-CG 3.56Å; F648-M652 HydrophobicContact CZ-SD 3.9Å; F648-M652 WeakPolarHBondContact O-CB 3.48Å; F648-M652 WeakPolarHBondContact O-CG 3.1Å; F648-M652 PolarHBondContact O-N 2.69Å; K649-M652 PolarHBondContact O-N 3.23Å; K649-M652 VanDerWaalsContact O-N 3.17Å; F650-M652 VanDerWaalsContact C-N 3.29Å; F650-M652 PolarHBondContact O-N 2.81Å; M652-V656 WeakPolarHBondContact O-CB 3.34Å; M652-V656 VanDerWaalsContact O-CG2 3.26Å; M652-V656 WeakPolarHBondContact O-CG2 3.41Å; M652-V656 PolarHBondContact O-N 3.43Å
653	E	79.4	Confident	75	Confident	76 Å²	76	75.2 Å²	75.2	36%	0.355	37%	0.37	S	S	.	.	H	α-helix	trans	-56.7	-53.3	174.4	-72.8	170.1	150.1	0	0	110.3	K649 F650 V656 E657 R878	K649-E653 WeakPolarHBondContact CE-OE1 3.37Å; K649-E653 HydrophobicContact CG-CG 4.38Å; K649-E653 IonicContact NZ-OE1 2.99Å; K649-E653 WeakPolarHBondContact O-CG 3.11Å; K649-E653 PolarHBondContact O-N 3.39Å; F650-E653 PolarHBondContact O-N 2.93Å; E653-V656 PolarHBondContact O-N 2.97Å; E653-E657 PolarHBondContact O-N 3.02Å; E653-R878 IonicContact OE1-CZ 2.74Å; E653-R878 IonicContact OE1-NH1 3.87Å; E653-R878 PolarHBondContact OE1-NH1 2.96Å; E653-R878 IonicContact OE1-NH2 2.74Å; E653-R878 PolarHBondContact OE1-NH2 2.85Å; E653-R878 IonicContact OE2-CZ 3.76Å; E653-R878 IonicContact OE2-NH1 3.06Å; E653-R878 IonicContact OE2-NH2 3.37Å; E653-R878 PolarHBondContact OE2-NH2 3.46Å
654	Q	70.9	Confident	76.1	Confident	22 Å²	22	75.6 Å²	75.6	10%	0.103	38%	0.377	C	S	.	.	H	α-helix	trans	-70.7	-35.5	-176.7	-163.6	62.5	72.7	0	0	112.7	F650 E657 N658 E1086	F650-Q654 HydrophobicContact CD2-CB 4.47Å; F650-Q654 HydrophobicContact CE2-CB 4.05Å; F650-Q654 HydrophobicContact CE2-CG 4.28Å; F650-Q654 HydrophobicContact CZ-CB 4.37Å; F650-Q654 HydrophobicContact CZ-CG 4.34Å; F650-Q654 VanDerWaalsContact O-CB 3.29Å; F650-Q654 WeakPolarHBondContact O-CB 3.14Å; F650-Q654 PolarHBondContact O-N 2.84Å; Q654-E657 PolarHBondContact NE2-OE2 3.01Å; Q654-E657 PolarHBondContact O-N 3.2Å; Q654-N658 VanDerWaalsContact O-CB 3.29Å; Q654-N658 WeakPolarHBondContact O-CB 3.48Å; Q654-N658 VanDerWaalsContact O-CG 3.26Å; Q654-N658 PolarHBondContact O-N 3.01Å; Q654-N658 PolarHBondContact O-ND2 3.01Å; Q654-E1086 VanDerWaalsContact CG-CD 3.4Å; Q654-E1086 HydrophobicContact CG-CG 4.38Å; Q654-E1086 VanDerWaalsContact CG-OE1 3.27Å; Q654-E1086 WeakPolarHBondContact CG-OE1 3.42Å; Q654-E1086 WeakPolarHBondContact CG-OE2 3.35Å
655	H	76.5	Confident	76.6	Confident	77 Å²	77	77.9 Å²	77.9	36%	0.356	38%	0.383	S	S	.	.	H	α-helix	trans	-65.7	-42.4	175.8	-175.6	81.7	0	0	0	111.8	F651 N658 I659	F651-H655 HydrophobicContact CD1-CB 4.33Å; F651-H655 HydrophobicContact CE1-CB 4.27Å; F651-H655 WeakPolarHBondContact O-CA 3.09Å; F651-H655 WeakPolarHBondContact O-CB 3.32Å; F651-H655 PolarHBondContact O-N 2.85Å; H655-N658 PolarHBondContact O-N 3.4Å; H655-I659 WeakPolarHBondContact NE2-CD1 3.28Å; H655-I659 WeakPolarHBondContact O-CB 3.34Å; H655-I659 WeakPolarHBondContact O-CG1 3.41Å; H655-I659 PolarHBondContact O-N 3.23Å
656	V	82.9	Confident	77.1	Confident	70 Å²	70	76.8 Å²	76.8	42%	0.424	36%	0.364	S	S	.	.	H	α-helix	trans	-67.3	-43.7	175.7	170.6	0	0	0	0	110.8	M652 E653 N658 I659 L660	M652-V656 WeakPolarHBondContact O-CB 3.34Å; M652-V656 VanDerWaalsContact O-CG2 3.26Å; M652-V656 WeakPolarHBondContact O-CG2 3.41Å; M652-V656 PolarHBondContact O-N 3.43Å; E653-V656 PolarHBondContact O-N 2.97Å; V656-N658 PolarHBondContact O-N 3.43Å; V656-I659 PolarHBondContact O-N 2.86Å; V656-L660 HydrophobicContact CG1-CD1 3.9Å; V656-L660 HydrophobicContact CG1-CG 4.38Å; V656-L660 VanDerWaalsContact O-CG 3.3Å; V656-L660 WeakPolarHBondContact O-CG 3.21Å; V656-L660 PolarHBondContact O-N 2.94Å
657	E	79.1	Confident	78.2	Confident	112 Å²	112	76.1 Å²	76.1	52%	0.523	36%	0.364	S	S	.	.	H	α-helix	trans	-57.8	-48.5	174	-174.7	-179.8	-150.9	0	0	111.5	E653 Q654 I659 L660 K661	E653-E657 PolarHBondContact O-N 3.02Å; Q654-E657 PolarHBondContact NE2-OE2 3.01Å; Q654-E657 PolarHBondContact O-N 3.2Å; E657-I659 VanDerWaalsContact C-N 3.33Å; E657-I659 PolarHBondContact O-N 3.29Å; E657-L660 PolarHBondContact O-N 3.16Å; E657-L660 VanDerWaalsContact O-N 3.14Å; E657-K661 WeakPolarHBondContact O-CB 3.32Å; E657-K661 PolarHBondContact O-N 3.12Å
658	N	75.9	Confident	79	Confident	66 Å²	66	81.8 Å²	81.8	35%	0.353	39%	0.388	S	S	.	.	H	α-helix	trans	-62.5	-36.6	178	-77.9	-31.5	0	0	0	112.8	Q654 H655 V656 S662 E1086	Q654-N658 VanDerWaalsContact O-CB 3.29Å; Q654-N658 WeakPolarHBondContact O-CB 3.48Å; Q654-N658 VanDerWaalsContact O-CG 3.26Å; Q654-N658 PolarHBondContact O-N 3.01Å; Q654-N658 PolarHBondContact O-ND2 3.01Å; H655-N658 PolarHBondContact O-N 3.4Å; V656-N658 PolarHBondContact O-N 3.43Å; N658-S662 WeakPolarHBondContact O-CB 3.21Å; N658-S662 PolarHBondContact O-N 3.43Å; N658-E1086 PolarHBondContact ND2-OE1 3.38Å
659	I	81.9	Confident	79.6	Confident	89 Å²	89	78.7 Å²	78.7	46%	0.456	37%	0.373	S	S	.	.	H	α-helix	trans	-64.5	-45.1	172.5	-77.1	172.2	0	0	0	110.8	H655 V656 E657 S662 H663	H655-I659 WeakPolarHBondContact NE2-CD1 3.28Å; H655-I659 WeakPolarHBondContact O-CB 3.34Å; H655-I659 WeakPolarHBondContact O-CG1 3.41Å; H655-I659 PolarHBondContact O-N 3.23Å; V656-I659 PolarHBondContact O-N 2.86Å; E657-I659 VanDerWaalsContact C-N 3.33Å; E657-I659 PolarHBondContact O-N 3.29Å; I659-S662 PolarHBondContact O-N 3.27Å; I659-H663 VanDerWaalsContact O-CB 3.27Å; I659-H663 WeakPolarHBondContact O-CB 3.44Å; I659-H663 PolarHBondContact O-N 3.15Å
660	L	83.2	Confident	80	Confident	93 Å²	93	79.6 Å²	79.6	49%	0.487	38%	0.377	S	S	.	.	H	α-helix	trans	-66.1	-47.7	179.6	-69.6	170.6	0	0	0	111.7	V656 E657 S662 H663 Q664	V656-L660 HydrophobicContact CG1-CD1 3.9Å; V656-L660 HydrophobicContact CG1-CG 4.38Å; V656-L660 VanDerWaalsContact O-CG 3.3Å; V656-L660 WeakPolarHBondContact O-CG 3.21Å; V656-L660 PolarHBondContact O-N 2.94Å; E657-L660 PolarHBondContact O-N 3.16Å; E657-L660 VanDerWaalsContact O-N 3.14Å; L660-S662 PolarHBondContact O-N 3.06Å; L660-H663 PolarHBondContact O-N 3.3Å; L660-Q664 WeakPolarHBondContact O-CB 3.43Å; L660-Q664 WeakPolarHBondContact O-CG 3.33Å; L660-Q664 PolarHBondContact O-N 3.48Å
661	K	80	Confident	81	Confident	104 Å²	104	86 Å²	86	45%	0.452	41%	0.405	S	S	.	.	H	α-helix	trans	-57.9	-46.9	174.6	-172	173	-177.3	176.8	0	110.7	E657 H663 Q664 Q665	E657-K661 WeakPolarHBondContact O-CB 3.32Å; E657-K661 PolarHBondContact O-N 3.12Å; K661-H663 PolarHBondContact O-N 3.1Å; K661-Q664 PolarHBondContact O-N 3.04Å; K661-Q665 WeakPolarHBondContact O-CB 3.36Å; K661-Q665 VanDerWaalsContact O-CG 3.28Å; K661-Q665 WeakPolarHBondContact O-CG 3.46Å; K661-Q665 PolarHBondContact O-N 2.74Å
662	S	78.2	Confident	81.4	Confident	15 Å²	15	84.3 Å²	84.3	11%	0.105	40%	0.398	C	S	.	.	H	α-helix	trans	-64	-39.8	176.5	-167.7	0	0	0	0	112.1	N658 I659 L660 R666 R705	N658-S662 WeakPolarHBondContact O-CB 3.21Å; N658-S662 PolarHBondContact O-N 3.43Å; I659-S662 PolarHBondContact O-N 3.27Å; L660-S662 PolarHBondContact O-N 3.06Å; S662-R666 WeakPolarHBondContact O-CD 3.06Å; S662-R666 WeakPolarHBondContact O-CG 3.28Å; S662-R666 PolarHBondContact O-N 3.48Å; S662-R666 VanDerWaalsContact O-N 3.14Å; S662-R705 PolarHBondContact OG-NH1 2.66Å
663	H	82.6	Confident	81.7	Confident	96 Å²	96	82.3 Å²	82.3	44%	0.444	39%	0.389	S	S	.	.	H	α-helix	trans	-66.2	-45.1	176.2	-179.9	-118.1	0	0	0	112.4	I659 L660 K661 Q665 R666 L667	I659-H663 VanDerWaalsContact O-CB 3.27Å; I659-H663 WeakPolarHBondContact O-CB 3.44Å; I659-H663 PolarHBondContact O-N 3.15Å; L660-H663 PolarHBondContact O-N 3.3Å; K661-H663 PolarHBondContact O-N 3.1Å; H663-Q665 PolarHBondContact O-N 3.34Å; H663-R666 PolarHBondContact O-N 3.43Å; H663-L667 PolarHBondContact O-N 3Å
664	Q	82.9	Confident	82.1	Confident	131 Å²	131	80.9 Å²	80.9	61%	0.612	38%	0.382	S	S	*	.	H	α-helix	trans	-59.7	-45.3	175.8	-73.9	173.2	-9.4	0	0	111.8	L660 K661 R666 L667 H668	L660-Q664 WeakPolarHBondContact O-CB 3.43Å; L660-Q664 WeakPolarHBondContact O-CG 3.33Å; L660-Q664 PolarHBondContact O-N 3.48Å; K661-Q664 PolarHBondContact O-N 3.04Å; Q664-R666 VanDerWaalsContact C-N 3.32Å; Q664-R666 PolarHBondContact O-N 3.41Å; Q664-L667 PolarHBondContact O-N 2.84Å; Q664-H668 WeakPolarHBondContact O-CB 3.41Å; Q664-H668 PolarHBondContact O-N 2.95Å
665	Q	80.4	Confident	82.8	Confident	85 Å²	85	84 Å²	84	40%	0.397	40%	0.399	S	S	.	.	H	α-helix	trans	-59.4	-40.1	175.4	-74.8	173.3	-18.3	0	0	112.6	K661 H663 H668 R669	K661-Q665 WeakPolarHBondContact O-CB 3.36Å; K661-Q665 VanDerWaalsContact O-CG 3.28Å; K661-Q665 WeakPolarHBondContact O-CG 3.46Å; K661-Q665 PolarHBondContact O-N 2.74Å; H663-Q665 PolarHBondContact O-N 3.34Å; Q665-H668 PolarHBondContact O-N 3.4Å; Q665-R669 PolarHBondContact O-N 3.41Å
666	R	82.2	Confident	83.2	Confident	92 Å²	92	82.3 Å²	82.3	35%	0.347	39%	0.391	S	S	.	.	H	α-helix	trans	-66.9	-41.7	177.2	-66.5	171.1	81.4	-131.4	-6.2	111.9	S662 H663 Q664 K670 E698	S662-R666 WeakPolarHBondContact O-CD 3.06Å; S662-R666 WeakPolarHBondContact O-CG 3.28Å; S662-R666 PolarHBondContact O-N 3.48Å; S662-R666 VanDerWaalsContact O-N 3.14Å; H663-R666 PolarHBondContact O-N 3.43Å; Q664-R666 VanDerWaalsContact C-N 3.32Å; Q664-R666 PolarHBondContact O-N 3.41Å; R666-K670 WeakPolarHBondContact O-CB 3.43Å; R666-K670 PolarHBondContact O-N 2.98Å; R666-E698 WeakPolarHBondContact CD-OE2 3.07Å; R666-E698 WeakPolarHBondContact CG-OE2 3.46Å; R666-E698 IonicContact CZ-OE2 2.71Å; R666-E698 IonicContact NE-OE2 3.16Å; R666-E698 PolarHBondContact NE-OE2 2.91Å; R666-E698 IonicContact NH2-OE2 2.68Å
667	L	85.6	Confident	83.5	Confident	95 Å²	95	79.2 Å²	79.2	50%	0.497	37%	0.372	S	S	.	.	H	α-helix	trans	-64.4	-39.2	172.6	-70.6	178.5	0	0	0	112	H663 Q664 K670 K671	H663-L667 PolarHBondContact O-N 3Å; Q664-L667 PolarHBondContact O-N 2.84Å; L667-K670 PolarHBondContact O-N 3.19Å; L667-K671 WeakPolarHBondContact O-CB 3.4Å; L667-K671 PolarHBondContact O-N 2.87Å
668	H	83.4	Confident	83.7	Confident	128 Å²	128	80.8 Å²	80.8	59%	0.593	38%	0.382	S	S	*	.	H	α-helix	trans	-63.1	-52.4	176.7	-170.7	99.7	0	0	0	111.3	Q664 Q665 K670 K671 Q672	Q664-H668 WeakPolarHBondContact O-CB 3.41Å; Q664-H668 PolarHBondContact O-N 2.95Å; Q665-H668 PolarHBondContact O-N 3.4Å; H668-K670 VanDerWaalsContact C-N 3.28Å; H668-K670 PolarHBondContact O-N 3.49Å; H668-K671 PolarHBondContact O-N 2.8Å; H668-K671 VanDerWaalsContact O-N 3.08Å; H668-Q672 WeakPolarHBondContact O-CB 3.37Å; H668-Q672 PolarHBondContact O-N 3.49Å
669	R	86.1	Confident	84.3	Confident	50 Å²	50	85.4 Å²	85.4	19%	0.189	39%	0.394	C	S	.	.	H	α-helix	trans	-57.1	-39.9	175.7	-74.6	-170	-66.6	-93.3	5.1	112.5	Q665 L673 E698	Q665-R669 PolarHBondContact O-N 3.41Å; R669-L673 PolarHBondContact O-N 3.33Å; R669-E698 IonicContact CZ-OE1 2.71Å; R669-E698 VanDerWaalsContact CZ-OE1 3.3Å; R669-E698 IonicContact NE-OE1 3.92Å; R669-E698 PolarHBondContact NE-OE1 3.28Å; R669-E698 IonicContact NH2-OE1 3.83Å; R669-E698 PolarHBondContact NH2-OE1 2.78Å; R669-E698 IonicContact NH2-OE2 3.58Å
670	K	85.8	Confident	84.5	Confident	115 Å²	115	84.3 Å²	84.3	50%	0.5	39%	0.391	S	S	.	.	H	α-helix	trans	-61.5	-50.8	173	-173.6	-177.4	176.7	-175	0	111.2	R666 L667 H668 Q672 L673 E674 L694	R666-K670 WeakPolarHBondContact O-CB 3.43Å; R666-K670 PolarHBondContact O-N 2.98Å; L667-K670 PolarHBondContact O-N 3.19Å; H668-K670 VanDerWaalsContact C-N 3.28Å; H668-K670 PolarHBondContact O-N 3.49Å; K670-Q672 VanDerWaalsContact C-N 3.32Å; K670-Q672 PolarHBondContact O-N 2.74Å; K670-L673 PolarHBondContact O-N 3.22Å; K670-E674 HydrophobicContact CG-CG 4.33Å; K670-E674 VanDerWaalsContact O-CG 3.29Å; K670-E674 WeakPolarHBondContact O-CG 3.31Å; K670-E674 PolarHBondContact O-N 2.83Å; K670-L694 HydrophobicContact CB-CD2 4.27Å
671	K	88.6	Confident	84.5	Confident	137 Å²	137	82.9 Å²	82.9	60%	0.596	40%	0.4	S	S	*	.	H	α-helix	trans	-61.4	-40.5	180	-172.6	-179.4	178.9	-175.1	0	112	L667 H668 E674 N675	L667-K671 WeakPolarHBondContact O-CB 3.4Å; L667-K671 PolarHBondContact O-N 2.87Å; H668-K671 PolarHBondContact O-N 2.8Å; H668-K671 VanDerWaalsContact O-N 3.08Å; K671-E674 PolarHBondContact O-N 3.15Å; K671-N675 WeakPolarHBondContact O-CB 3.47Å; K671-N675 VanDerWaalsContact O-CG 3.25Å; K671-N675 PolarHBondContact O-N 3.39Å; K671-N675 PolarHBondContact O-OD1 3.33Å
672	Q	84.4	Confident	84.9	Confident	43 Å²	43	79.5 Å²	79.5	20%	0.201	39%	0.386	C	S	.	.	H	α-helix	trans	-59	-48.2	175.1	-174.8	-174.7	1.8	0	0	111.2	H668 K670 N675 E676	H668-Q672 WeakPolarHBondContact O-CB 3.37Å; H668-Q672 PolarHBondContact O-N 3.49Å; K670-Q672 VanDerWaalsContact C-N 3.32Å; K670-Q672 PolarHBondContact O-N 2.74Å; Q672-N675 PolarHBondContact O-N 3.05Å; Q672-E676 WeakPolarHBondContact O-CG 3.38Å; Q672-E676 PolarHBondContact O-N 3.15Å
673	L	85.6	Confident	85.4	Confident	32 Å²	32	81.3 Å²	81.3	17%	0.168	40%	0.399	C	S	.	.	H	α-helix	trans	-62.7	-45	176	-179	62.4	0	0	0	112.2	R669 K670 N675 E676 M677 M690 L694	R669-L673 PolarHBondContact O-N 3.33Å; K670-L673 PolarHBondContact O-N 3.22Å; L673-N675 VanDerWaalsContact C-N 3.34Å; L673-N675 PolarHBondContact O-N 3.06Å; L673-E676 PolarHBondContact O-N 3.33Å; L673-M677 HydrophobicContact CD1-CG 4Å; L673-M677 HydrophobicContact CD1-SD 4.22Å; L673-M677 HydrophobicContact CD2-SD 4.48Å; L673-M677 HydrophobicContact CG-CG 4.2Å; L673-M677 HydrophobicContact CG-SD 4Å; L673-M677 VanDerWaalsContact O-CB 3.31Å; L673-M677 WeakPolarHBondContact O-CB 3.18Å; L673-M677 WeakPolarHBondContact O-CG 3.45Å; L673-M677 PolarHBondContact O-N 3.22Å; L673-M690 HydrophobicContact CD1-CB 4.49Å; L673-M690 HydrophobicContact CD2-CB 4.46Å; L673-L694 HydrophobicContact CB-CD2 4.32Å; L673-L694 HydrophobicContact CD2-CB 3.75Å; L673-L694 HydrophobicContact CD2-CD2 3.7Å; L673-L694 HydrophobicContact CD2-CG 4.28Å
674	E	87.4	Confident	85.7	Confident	47 Å²	47	80 Å²	80	22%	0.22	40%	0.399	C	S	.	.	H	α-helix	trans	-61.3	-40.7	177.3	-63.1	-75	178	0	0	112.1	K670 K671 M677 M678 R691	K670-E674 HydrophobicContact CG-CG 4.33Å; K670-E674 VanDerWaalsContact O-CG 3.29Å; K670-E674 WeakPolarHBondContact O-CG 3.31Å; K670-E674 PolarHBondContact O-N 2.83Å; K671-E674 PolarHBondContact O-N 3.15Å; E674-M677 WeakPolarHBondContact OE2-CE 3.39Å; E674-M678 WeakPolarHBondContact O-CB 3.28Å; E674-M678 PolarHBondContact O-N 3.31Å; E674-R691 IonicContact OE1-CZ 3.64Å; E674-R691 IonicContact OE1-NE 2.79Å; E674-R691 PolarHBondContact OE1-NE 2.87Å; E674-R691 IonicContact OE1-NH2 3.57Å; E674-R691 IonicContact OE2-CZ 3.41Å; E674-R691 IonicContact OE2-NE 2.67Å; E674-R691 PolarHBondContact OE2-NE 3.16Å; E674-R691 IonicContact OE2-NH2 2.71Å; E674-R691 PolarHBondContact OE2-NH2 2.98Å
675	N	86.8	Confident	86	Confident	86 Å²	86	79.2 Å²	79.2	46%	0.46	40%	0.395	S	S	.	.	H	α-helix	trans	-61.5	-45.7	174.6	-76.6	8.5	0	0	0	111.7	K671 Q672 L673 M678 R679	K671-N675 WeakPolarHBondContact O-CB 3.47Å; K671-N675 VanDerWaalsContact O-CG 3.25Å; K671-N675 PolarHBondContact O-N 3.39Å; K671-N675 PolarHBondContact O-OD1 3.33Å; Q672-N675 PolarHBondContact O-N 3.05Å; L673-N675 VanDerWaalsContact C-N 3.34Å; L673-N675 PolarHBondContact O-N 3.06Å; N675-M678 WeakPolarHBondContact O-CB 3.32Å; N675-M678 PolarHBondContact O-N 2.97Å; N675-R679 WeakPolarHBondContact O-CB 3.44Å; N675-R679 PolarHBondContact O-N 3.09Å
676	E	84.4	Confident	86.2	Confident	42 Å²	42	76.3 Å²	76.3	20%	0.196	39%	0.386	C	S	.	.	H	α-helix	trans	-70.2	-40.8	-179.8	-73.2	-57.2	138.2	0	0	112.6	L31 Q672 L673 M678 R679 V680	L31-E676 VanDerWaalsContact CD2-CD 3.42Å; L31-E676 HydrophobicContact CD2-CG 3.75Å; L31-E676 WeakPolarHBondContact CD2-OE2 3.42Å; Q672-E676 WeakPolarHBondContact O-CG 3.38Å; Q672-E676 PolarHBondContact O-N 3.15Å; L673-E676 PolarHBondContact O-N 3.33Å; E676-M678 PolarHBondContact O-N 2.87Å; E676-R679 PolarHBondContact O-N 3.11Å; E676-R679 IonicContact OE1-CZ 3.21Å; E676-R679 IonicContact OE1-NE 2.84Å; E676-R679 PolarHBondContact OE1-NE 3.17Å; E676-R679 IonicContact OE1-NH2 3.26Å; E676-R679 IonicContact OE2-CZ 2.8Å; E676-R679 IonicContact OE2-NE 3.87Å; E676-R679 PolarHBondContact OE2-NE 3.04Å; E676-R679 IonicContact OE2-NH2 3.93Å; E676-R679 PolarHBondContact OE2-NH2 3.12Å; E676-V680 WeakPolarHBondContact O-CB 3.33Å; E676-V680 WeakPolarHBondContact O-CG2 3.47Å; E676-V680 PolarHBondContact O-N 2.95Å
677	M	88.5	Confident	86.3	Confident	5 Å²	5	75.8 Å²	75.8	3%	0.025	38%	0.384	C	S	.	.	H	α-helix	trans	-60	-32.3	172	-73.9	-169.4	-29.2	0	0	112.8	L673 E674 G681 L682 R687 M690 R691	L673-M677 HydrophobicContact CD1-CG 4Å; L673-M677 HydrophobicContact CD1-SD 4.22Å; L673-M677 HydrophobicContact CD2-SD 4.48Å; L673-M677 HydrophobicContact CG-CG 4.2Å; L673-M677 HydrophobicContact CG-SD 4Å; L673-M677 VanDerWaalsContact O-CB 3.31Å; L673-M677 WeakPolarHBondContact O-CB 3.18Å; L673-M677 WeakPolarHBondContact O-CG 3.45Å; L673-M677 PolarHBondContact O-N 3.22Å; E674-M677 WeakPolarHBondContact OE2-CE 3.39Å; M677-G681 PolarHBondContact O-N 3.47Å; M677-L682 HydrophobicContact CG-CD1 4.22Å; M677-L682 PolarHBondContact O-N 2.99Å; M677-R687 HydrophobicContact CB-CG 4.03Å; M677-R687 HydrophobicContact CE-CB 3.88Å; M677-R687 HydrophobicContact CE-CG 4.09Å; M677-R687 HydrophobicContact CG-CG 4.39Å; M677-R687 HydrophobicContact SD-CB 4Å; M677-R687 HydrophobicContact SD-CG 4.08Å; M677-M690 HydrophobicContact SD-CB 3.62Å; M677-M690 HydrophobicContact SD-CG 4.4Å; M677-R691 HydrophobicContact CE-CG 3.98Å
678	M	83.9	Confident	86.5	Confident	146 Å²	146	74.8 Å²	74.8	72%	0.719	38%	0.379	S	S	*	.	H	α-helix	trans	-74.1	-46.8	172.6	-173.4	-176.5	-62.2	0	0	111.6	E674 N675 E676 V680 G681	E674-M678 WeakPolarHBondContact O-CB 3.28Å; E674-M678 PolarHBondContact O-N 3.31Å; N675-M678 WeakPolarHBondContact O-CB 3.32Å; N675-M678 PolarHBondContact O-N 2.97Å; E676-M678 PolarHBondContact O-N 2.87Å; M678-V680 VanDerWaalsContact C-N 3.28Å; M678-V680 PolarHBondContact O-N 3.37Å; M678-G681 PolarHBondContact O-N 3.29Å
679	R	87.7	Confident	86.7	Confident	162 Å²	162	74.6 Å²	74.6	61%	0.611	38%	0.378	S	S	*	.	H	α-helix	trans	-60.7	-34.1	180	-169.9	177.6	71.4	93.5	3	113.2	N675 E676	N675-R679 WeakPolarHBondContact O-CB 3.44Å; N675-R679 PolarHBondContact O-N 3.09Å; E676-R679 PolarHBondContact O-N 3.11Å; E676-R679 IonicContact OE1-CZ 3.21Å; E676-R679 IonicContact OE1-NE 2.84Å; E676-R679 PolarHBondContact OE1-NE 3.17Å; E676-R679 IonicContact OE1-NH2 3.26Å; E676-R679 IonicContact OE2-CZ 2.8Å; E676-R679 IonicContact OE2-NE 3.87Å; E676-R679 PolarHBondContact OE2-NE 3.04Å; E676-R679 IonicContact OE2-NH2 3.93Å; E676-R679 PolarHBondContact OE2-NH2 3.12Å
680	V	86.1	Confident	86.5	Confident	66 Å²	66	74.6 Å²	74.6	40%	0.4	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-9.3	177.8	-179.5	0	0	0	0	112.4	L38 E676 M678 L682	L38-V680 HydrophobicContact CD1-CG1 3.86Å; E676-V680 WeakPolarHBondContact O-CB 3.33Å; E676-V680 WeakPolarHBondContact O-CG2 3.47Å; E676-V680 PolarHBondContact O-N 2.95Å; M678-V680 VanDerWaalsContact C-N 3.28Å; M678-V680 PolarHBondContact O-N 3.37Å; V680-L682 HydrophobicContact CB-CG 4.21Å; V680-L682 HydrophobicContact CG1-CD2 3.8Å; V680-L682 HydrophobicContact CG1-CG 3.96Å; V680-L682 PolarHBondContact O-N 3.42Å
681	G	84.6	Confident	86.6	Confident	64 Å²	64	73.1 Å²	73.1	66%	0.66	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	31.3	175.9	0	0	0	0	0	114.6	M677 M678	M677-G681 PolarHBondContact O-N 3.47Å; M678-G681 PolarHBondContact O-N 3.29Å
682	L	87	Confident	86.6	Confident	32 Å²	32	73.7 Å²	73.7	17%	0.168	38%	0.375	C	S	.	.			trans	-65.7	148.8	-173.3	-66.3	177.3	0	0	0	113.3	L38 M677 V680 A686 R687	L38-L682 HydrophobicContact CD1-CD2 4.13Å; L38-L682 HydrophobicContact CD2-CD2 3.79Å; M677-L682 HydrophobicContact CG-CD1 4.22Å; M677-L682 PolarHBondContact O-N 2.99Å; V680-L682 HydrophobicContact CB-CG 4.21Å; V680-L682 HydrophobicContact CG1-CD2 3.8Å; V680-L682 HydrophobicContact CG1-CG 3.96Å; V680-L682 PolarHBondContact O-N 3.42Å; L682-A686 HydrophobicContact CB-CB 4.33Å; L682-R687 HydrophobicContact CB-CG 3.76Å; L682-R687 VanDerWaalsContact O-CD 3.31Å; L682-R687 WeakPolarHBondContact O-CD 3.36Å; L682-R687 PolarHBondContact O-NE 3.22Å
683	S	89.6	Confident	86.5	Confident	53 Å²	53	75.4 Å²	75.4	37%	0.371	38%	0.384	S	S	.	.			trans	-59.9	157.9	178.8	89	0	0	0	0	112.3	E685 A686 R687	S683-E685 WeakPolarHBondContact CB-OE2 3.02Å; S683-E685 PolarHBondContact O-N 2.88Å; S683-E685 PolarHBondContact OG-N 2.93Å; S683-E685 PolarHBondContact OG-OE2 2.82Å; S683-A686 PolarHBondContact O-N 2.97Å; S683-A686 PolarHBondContact OG-N 3.32Å; S683-R687 WeakPolarHBondContact O-CB 3.46Å; S683-R687 VanDerWaalsContact O-CG 3.25Å; S683-R687 WeakPolarHBondContact O-CG 3.44Å; S683-R687 PolarHBondContact O-N 3.13Å; S683-R687 PolarHBondContact O-NE 2.82Å
684	P	88.5	Confident	86.4	Confident	70 Å²	70	75.6 Å²	75.6	46%	0.455	39%	0.385	S	S	.	.	H	α-helix	trans	-52.3	-42.1	176.4	-22.1	32	0	0	0	113.2	R687 D688	P684-R687 PolarHBondContact O-N 2.89Å; P684-D688 PolarHBondContact O-N 3.04Å
685	E	88.8	Confident	86.2	Confident	114 Å²	114	77.2 Å²	77.2	53%	0.533	40%	0.4	S	S	.	.	H	α-helix	trans	-70.1	-45.7	-176.3	-47.8	67.2	-138.6	0	0	110.7	S683 R687 D688 Q689	S683-E685 WeakPolarHBondContact CB-OE2 3.02Å; S683-E685 PolarHBondContact O-N 2.88Å; S683-E685 PolarHBondContact OG-N 2.93Å; S683-E685 PolarHBondContact OG-OE2 2.82Å; E685-R687 VanDerWaalsContact C-N 3.34Å; E685-R687 PolarHBondContact O-N 3.27Å; E685-D688 PolarHBondContact O-N 3.46Å; E685-Q689 WeakPolarHBondContact O-CG 3.31Å; E685-Q689 PolarHBondContact O-N 2.78Å
686	A	85.3	Confident	85.9	Confident	23 Å²	23	78.1 Å²	78.1	19%	0.19	40%	0.402	C	S	.	.	H	α-helix	trans	-62.1	-41.6	175.7	0	0	0	0	0	111.4	L682 S683 D688 Q689 M690	L682-A686 HydrophobicContact CB-CB 4.33Å; S683-A686 PolarHBondContact O-N 2.97Å; S683-A686 PolarHBondContact OG-N 3.32Å; A686-D688 PolarHBondContact O-N 2.85Å; A686-Q689 PolarHBondContact O-N 2.91Å; A686-M690 WeakPolarHBondContact O-CG 3.44Å; A686-M690 PolarHBondContact O-N 2.76Å
687	R	85.2	Confident	85.5	Confident	81 Å²	81	79.4 Å²	79.4	31%	0.306	41%	0.407	S	S	.	.	H	α-helix	trans	-61.6	-42.2	175.6	-70.6	-177.1	-67.8	170	-1.6	112.1	M677 L682 S683 P684 E685 M690 R691	M677-R687 HydrophobicContact CB-CG 4.03Å; M677-R687 HydrophobicContact CE-CB 3.88Å; M677-R687 HydrophobicContact CE-CG 4.09Å; M677-R687 HydrophobicContact CG-CG 4.39Å; M677-R687 HydrophobicContact SD-CB 4Å; M677-R687 HydrophobicContact SD-CG 4.08Å; L682-R687 HydrophobicContact CB-CG 3.76Å; L682-R687 VanDerWaalsContact O-CD 3.31Å; L682-R687 WeakPolarHBondContact O-CD 3.36Å; L682-R687 PolarHBondContact O-NE 3.22Å; S683-R687 WeakPolarHBondContact O-CB 3.46Å; S683-R687 VanDerWaalsContact O-CG 3.25Å; S683-R687 WeakPolarHBondContact O-CG 3.44Å; S683-R687 PolarHBondContact O-N 3.13Å; S683-R687 PolarHBondContact O-NE 2.82Å; P684-R687 PolarHBondContact O-N 2.89Å; E685-R687 VanDerWaalsContact C-N 3.34Å; E685-R687 PolarHBondContact O-N 3.27Å; R687-M690 PolarHBondContact O-N 2.87Å; R687-R691 VanDerWaalsContact O-CG 3.29Å; R687-R691 WeakPolarHBondContact O-CG 3.33Å; R687-R691 PolarHBondContact O-N 2.84Å
688	D	89.1	Confident	85.1	Confident	74 Å²	74	80 Å²	80	40%	0.396	41%	0.409	S	S	.	.	H	α-helix	trans	-71.6	-30.4	177	-81	-6	0	0	0	113.6	P684 E685 A686 R691 K692	P684-D688 PolarHBondContact O-N 3.04Å; E685-D688 PolarHBondContact O-N 3.46Å; A686-D688 PolarHBondContact O-N 2.85Å; D688-R691 WeakPolarHBondContact OD1-CD 3.24Å; D688-R691 IonicContact OD1-CZ 3.7Å; D688-R691 IonicContact OD1-NE 3.94Å; D688-R691 IonicContact OD1-NH1 2.71Å; D688-R691 PolarHBondContact OD1-NH1 3.05Å; D688-K692 WeakPolarHBondContact O-CB 3.47Å; D688-K692 WeakPolarHBondContact O-CD 3.29Å; D688-K692 WeakPolarHBondContact O-CG 3.42Å; D688-K692 PolarHBondContact O-N 2.95Å
689	Q	87.5	Confident	84.9	Confident	125 Å²	125	75.6 Å²	75.6	58%	0.584	39%	0.393	S	S	*	.	H	α-helix	trans	-63.3	-46.1	168.8	-71.7	175.9	18.3	0	0	111.6	E685 A686 K692 M693	E685-Q689 WeakPolarHBondContact O-CG 3.31Å; E685-Q689 PolarHBondContact O-N 2.78Å; A686-Q689 PolarHBondContact O-N 2.91Å; Q689-K692 WeakPolarHBondContact O-CB 3.28Å; Q689-K692 PolarHBondContact O-N 3.17Å; Q689-M693 PolarHBondContact O-N 2.98Å
690	M	82.2	Confident	84.3	Confident	49 Å²	49	71.7 Å²	71.7	24%	0.241	38%	0.384	C	S	.	.	H	α-helix	trans	-67.2	-37.7	178.9	-62.4	-55.3	165.4	0	0	112.3	L673 M677 A686 R687 M693 L694	L673-M690 HydrophobicContact CD1-CB 4.49Å; L673-M690 HydrophobicContact CD2-CB 4.46Å; M677-M690 HydrophobicContact SD-CB 3.62Å; M677-M690 HydrophobicContact SD-CG 4.4Å; A686-M690 WeakPolarHBondContact O-CG 3.44Å; A686-M690 PolarHBondContact O-N 2.76Å; R687-M690 PolarHBondContact O-N 2.87Å; M690-M693 PolarHBondContact O-N 3.39Å; M690-M693 HydrophobicContact SD-CE 3.58Å; M690-M693 VanDerWaalsContact SD-CE 3.58Å; M690-L694 PolarHBondContact O-N 3.41Å
691	R	87.8	Confident	83.5	Confident	84 Å²	84	70 Å²	70	32%	0.317	37%	0.371	S	S	.	.	H	α-helix	trans	-59.1	-46.5	169.9	-72.9	163.9	176	153	3.8	111.9	E674 M677 R687 D688 L694 C695	E674-R691 IonicContact OE1-CZ 3.64Å; E674-R691 IonicContact OE1-NE 2.79Å; E674-R691 PolarHBondContact OE1-NE 2.87Å; E674-R691 IonicContact OE1-NH2 3.57Å; E674-R691 IonicContact OE2-CZ 3.41Å; E674-R691 IonicContact OE2-NE 2.67Å; E674-R691 PolarHBondContact OE2-NE 3.16Å; E674-R691 IonicContact OE2-NH2 2.71Å; E674-R691 PolarHBondContact OE2-NH2 2.98Å; M677-R691 HydrophobicContact CE-CG 3.98Å; R687-R691 VanDerWaalsContact O-CG 3.29Å; R687-R691 WeakPolarHBondContact O-CG 3.33Å; R687-R691 PolarHBondContact O-N 2.84Å; D688-R691 WeakPolarHBondContact OD1-CD 3.24Å; D688-R691 IonicContact OD1-CZ 3.7Å; D688-R691 IonicContact OD1-NE 3.94Å; D688-R691 IonicContact OD1-NH1 2.71Å; D688-R691 PolarHBondContact OD1-NH1 3.05Å; R691-L694 PolarHBondContact O-N 2.97Å; R691-C695 PolarHBondContact O-N 2.91Å; R691-C695 PolarHBondContact O-SG 2.79Å; R691-C695 VanDerWaalsContact O-SG 3.4Å
692	K	87.3	Confident	83.1	Confident	150 Å²	150	69 Å²	69	65%	0.652	35%	0.35	S	S	*	.	H	α-helix	trans	-60.9	-43	175.6	-73.9	165.6	-175.8	173	0	111.4	D688 Q689 C695 Q696	D688-K692 WeakPolarHBondContact O-CB 3.47Å; D688-K692 WeakPolarHBondContact O-CD 3.29Å; D688-K692 WeakPolarHBondContact O-CG 3.42Å; D688-K692 PolarHBondContact O-N 2.95Å; Q689-K692 WeakPolarHBondContact O-CB 3.28Å; Q689-K692 PolarHBondContact O-N 3.17Å; K692-C695 PolarHBondContact O-N 3.23Å; K692-Q696 PolarHBondContact O-N 2.63Å
693	M	83.3	Confident	82.4	Confident	79 Å²	79	75.6 Å²	75.6	39%	0.389	37%	0.373	S	S	.	.	H	α-helix	trans	-60.8	-45.3	175.2	179.8	175	64.1	0	0	112.2	Q689 M690 Q696 K697	Q689-M693 PolarHBondContact O-N 2.98Å; M690-M693 PolarHBondContact O-N 3.39Å; M690-M693 HydrophobicContact SD-CE 3.58Å; M690-M693 VanDerWaalsContact SD-CE 3.58Å; M693-Q696 PolarHBondContact O-N 3.45Å; M693-K697 HydrophobicContact CG-CD 4.45Å; M693-K697 PolarHBondContact O-N 3.45Å
694	L	84.1	Confident	81.4	Confident	35 Å²	35	76.8 Å²	76.8	18%	0.183	38%	0.375	C	S	.	.	H	α-helix	trans	-61.6	-45.9	176.2	179.6	62.3	0	0	0	111.2	K670 L673 M690 R691 Q696 K697 E698	K670-L694 HydrophobicContact CB-CD2 4.27Å; L673-L694 HydrophobicContact CB-CD2 4.32Å; L673-L694 HydrophobicContact CD2-CB 3.75Å; L673-L694 HydrophobicContact CD2-CD2 3.7Å; L673-L694 HydrophobicContact CD2-CG 4.28Å; M690-L694 PolarHBondContact O-N 3.41Å; R691-L694 PolarHBondContact O-N 2.97Å; L694-Q696 VanDerWaalsContact C-N 3.28Å; L694-Q696 PolarHBondContact O-N 3.2Å; L694-K697 PolarHBondContact O-N 2.99Å; L694-E698 HydrophobicContact CD1-CG 4.2Å; L694-E698 HydrophobicContact CG-CG 4.41Å; L694-E698 VanDerWaalsContact O-CB 3.29Å; L694-E698 WeakPolarHBondContact O-CB 3.27Å; L694-E698 WeakPolarHBondContact O-CG 3.39Å; L694-E698 PolarHBondContact O-N 2.69Å
695	C	82.9	Confident	80.5	Confident	82 Å²	82	79.8 Å²	79.8	55%	0.554	38%	0.377	S	S	*	.	H	α-helix	trans	-59.6	-36	175.4	-72.8	0	0	0	0	112.7	R691 K692 S699	R691-C695 PolarHBondContact O-N 2.91Å; R691-C695 PolarHBondContact O-SG 2.79Å; R691-C695 VanDerWaalsContact O-SG 3.4Å; K692-C695 PolarHBondContact O-N 3.23Å; C695-S699 VanDerWaalsContact O-CB 3.29Å; C695-S699 WeakPolarHBondContact O-CB 3.49Å; C695-S699 PolarHBondContact O-N 2.74Å; C695-S699 PolarHBondContact O-OG 3.1Å
696	Q	79.5	Confident	79.5	Confident	104 Å²	104	83.6 Å²	83.6	49%	0.486	39%	0.386	S	S	.	.	H	α-helix	trans	-70.9	-45.3	175	-170.3	63.4	53.3	0	0	112.1	K692 M693 L694 E698 S699 N700	K692-Q696 PolarHBondContact O-N 2.63Å; M693-Q696 PolarHBondContact O-N 3.45Å; L694-Q696 VanDerWaalsContact C-N 3.28Å; L694-Q696 PolarHBondContact O-N 3.2Å; Q696-E698 PolarHBondContact O-N 2.89Å; Q696-S699 PolarHBondContact O-N 2.91Å; Q696-N700 PolarHBondContact NE2-OD1 2.76Å; Q696-N700 WeakPolarHBondContact O-CB 3.35Å; Q696-N700 VanDerWaalsContact O-CG 3.26Å; Q696-N700 PolarHBondContact O-N 3.16Å; Q696-N700 PolarHBondContact O-OD1 2.75Å
697	K	77	Confident	78.9	Confident	69 Å²	69	84.9 Å²	84.9	30%	0.3	40%	0.397	S	S	.	.	H	α-helix	trans	-59.1	-45.7	175.1	-74.1	-171.8	175.5	-168	0	110.7	P19 A20 M693 L694 N700 Y701	P19-K697 PolarHBondContact O-NZ 3.35Å; A20-K697 HydrophobicContact CB-CD 4.04Å; M693-K697 HydrophobicContact CG-CD 4.45Å; M693-K697 PolarHBondContact O-N 3.45Å; L694-K697 PolarHBondContact O-N 2.99Å; K697-N700 PolarHBondContact O-N 3.01Å; K697-Y701 WeakPolarHBondContact O-CB 3.45Å; K697-Y701 PolarHBondContact O-N 2.74Å
698	E	80.6	Confident	78.5	Confident	18 Å²	18	90.3 Å²	90.3	8%	0.084	42%	0.423	C	S	.	.	H	α-helix	trans	-60.9	-42	174.1	-79.8	-74	157.9	0	0	113.3	R666 R669 L694 Q696 Y701 I702	R666-E698 WeakPolarHBondContact CD-OE2 3.07Å; R666-E698 WeakPolarHBondContact CG-OE2 3.46Å; R666-E698 IonicContact CZ-OE2 2.71Å; R666-E698 IonicContact NE-OE2 3.16Å; R666-E698 PolarHBondContact NE-OE2 2.91Å; R666-E698 IonicContact NH2-OE2 2.68Å; R669-E698 IonicContact CZ-OE1 2.71Å; R669-E698 VanDerWaalsContact CZ-OE1 3.3Å; R669-E698 IonicContact NE-OE1 3.92Å; R669-E698 PolarHBondContact NE-OE1 3.28Å; R669-E698 IonicContact NH2-OE1 3.83Å; R669-E698 PolarHBondContact NH2-OE1 2.78Å; R669-E698 IonicContact NH2-OE2 3.58Å; L694-E698 HydrophobicContact CD1-CG 4.2Å; L694-E698 HydrophobicContact CG-CG 4.41Å; L694-E698 VanDerWaalsContact O-CB 3.29Å; L694-E698 WeakPolarHBondContact O-CB 3.27Å; L694-E698 WeakPolarHBondContact O-CG 3.39Å; L694-E698 PolarHBondContact O-N 2.69Å; Q696-E698 PolarHBondContact O-N 2.89Å; E698-Y701 PolarHBondContact O-N 2.82Å; E698-I702 WeakPolarHBondContact O-CG1 3.49Å; E698-I702 PolarHBondContact O-N 2.78Å
699	S	79.6	Confident	78.1	Confident	54 Å²	54	87.9 Å²	87.9	38%	0.378	41%	0.409	S	S	.	.	H	α-helix	trans	-68.3	-40.6	177.8	-62	0	0	0	0	112.1	C695 Q696 I702 R703	C695-S699 VanDerWaalsContact O-CB 3.29Å; C695-S699 WeakPolarHBondContact O-CB 3.49Å; C695-S699 PolarHBondContact O-N 2.74Å; C695-S699 PolarHBondContact O-OG 3.1Å; Q696-S699 PolarHBondContact O-N 2.91Å; S699-I702 PolarHBondContact O-N 2.64Å; S699-R703 WeakPolarHBondContact O-CG 3.35Å; S699-R703 PolarHBondContact O-N 2.93Å
700	N	73.8	Confident	78.1	Confident	79 Å²	79	85.6 Å²	85.6	42%	0.422	40%	0.401	S	S	.	.	H	α-helix	trans	-65.4	-42.2	175.2	-71.4	-2.3	0	0	0	111.1	Q696 K697 R703 L704	Q696-N700 PolarHBondContact NE2-OD1 2.76Å; Q696-N700 WeakPolarHBondContact O-CB 3.35Å; Q696-N700 VanDerWaalsContact O-CG 3.26Å; Q696-N700 PolarHBondContact O-N 3.16Å; Q696-N700 PolarHBondContact O-OD1 2.75Å; K697-N700 PolarHBondContact O-N 3.01Å; N700-R703 PolarHBondContact O-N 3.15Å; N700-L704 WeakPolarHBondContact O-CB 3.41Å; N700-L704 PolarHBondContact O-N 3.25Å
701	Y	69.9	Low	78.5	Confident	30 Å²	30	88.6 Å²	88.6	12%	0.118	41%	0.413	C	S	.	.	H	α-helix	trans	-57.2	-48.2	173.4	171.1	-98.8	0	0	0	111.9	K697 E698 R703 L704 R705 F1092 F1093	K697-Y701 WeakPolarHBondContact O-CB 3.45Å; K697-Y701 PolarHBondContact O-N 2.74Å; E698-Y701 PolarHBondContact O-N 2.82Å; Y701-R703 VanDerWaalsContact C-N 3.33Å; Y701-R703 PolarHBondContact O-N 3.22Å; Y701-L704 PolarHBondContact O-N 3.42Å; Y701-R705 WeakPolarHBondContact O-CB 3.32Å; Y701-R705 PolarHBondContact O-N 1.9Å; Y701-F1092 HydrophobicContact CD2-CB 4.29Å; Y701-F1092 AromaticContact CD2-CD1 3.93Å; Y701-F1092 HydrophobicContact CD2-CD1 3.93Å; Y701-F1092 HydrophobicContact CD2-CD2 4.08Å; Y701-F1092 HydrophobicContact CD2-CE1 4.31Å; Y701-F1092 HydrophobicContact CD2-CE2 4.45Å; Y701-F1092 AromaticContact CD2-CG 3.81Å; Y701-F1092 HydrophobicContact CD2-CG 3.81Å; Y701-F1092 HydrophobicContact CE2-CB 4.21Å; Y701-F1092 HydrophobicContact CE2-CD1 4.17Å; Y701-F1092 AromaticContact CE2-CD2 3.46Å; Y701-F1092 HydrophobicContact CE2-CD2 3.46Å; Y701-F1092 VanDerWaalsContact CE2-CD2 3.46Å; Y701-F1092 HydrophobicContact CE2-CE1 4.46Å; Y701-F1092 AromaticContact CE2-CE2 3.82Å; Y701-F1092 HydrophobicContact CE2-CE2 3.82Å; Y701-F1092 AromaticContact CE2-CG 3.66Å; Y701-F1092 HydrophobicContact CE2-CG 3.66Å; Y701-F1092 HydrophobicContact CE2-CZ 4.31Å; Y701-F1093 HydrophobicContact CD2-CE2 4.08Å; Y701-F1093 HydrophobicContact CD2-CZ 4.09Å; Y701-F1093 HydrophobicContact CE2-CE2 4.45Å
702	I	75.3	Confident	78.6	Confident	44 Å²	44	88.5 Å²	88.5	23%	0.226	43%	0.425	C	S	.	.	H	α-helix	trans	-63.9	-36.4	177.6	-68.2	166.8	0	0	0	111.9	E698 S699 R706	E698-I702 WeakPolarHBondContact O-CG1 3.49Å; E698-I702 PolarHBondContact O-N 2.78Å; S699-I702 PolarHBondContact O-N 2.64Å; I702-R706 WeakPolarHBondContact O-CG 3.31Å
703	R	74.4	Confident	78.8	Confident	171 Å²	171	84.6 Å²	84.6	65%	0.645	41%	0.41	S	S	*	.	H	α-helix	trans	-65.9	-48.5	173.3	-72.3	173.7	-179.8	-170.9	-0.6	111.5	S699 N700 Y701 R705 R706 A707	S699-R703 WeakPolarHBondContact O-CG 3.35Å; S699-R703 PolarHBondContact O-N 2.93Å; N700-R703 PolarHBondContact O-N 3.15Å; Y701-R703 VanDerWaalsContact C-N 3.33Å; Y701-R703 PolarHBondContact O-N 3.22Å; R703-R705 VanDerWaalsContact C-N 3.29Å; R703-R705 PolarHBondContact O-N 3.13Å; R703-R706 WeakPolarHBondContact O-CB 3.32Å; R703-R706 PolarHBondContact O-N 3.46Å; R703-A707 PolarHBondContact O-N 3.39Å
704	L	68.1	Low	79.3	Confident	78 Å²	78	81.9 Å²	81.9	41%	0.408	40%	0.396	S	S	.	.	H	α-helix	trans	-68.2	-28.6	-177	-166.4	62.7	0	0	0	112.6	N700 Y701 R706 A707 F1092	N700-L704 WeakPolarHBondContact O-CB 3.41Å; N700-L704 PolarHBondContact O-N 3.25Å; Y701-L704 PolarHBondContact O-N 3.42Å; L704-R706 VanDerWaalsContact C-N 3.25Å; L704-R706 PolarHBondContact O-N 2.86Å; L704-A707 PolarHBondContact O-N 3.08Å; L704-F1092 HydrophobicContact CB-CE1 4Å; L704-F1092 HydrophobicContact CD2-CD1 3.98Å; L704-F1092 HydrophobicContact CD2-CE1 3.88Å; L704-F1092 HydrophobicContact CG-CD1 4.47Å; L704-F1092 HydrophobicContact CG-CE1 3.86Å
705	R	68.4	Low	79.9	Confident	132 Å²	132	84.3 Å²	84.3	50%	0.498	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-12.2	170.4	-158.9	179.2	77.1	-175.1	5.8	113.9	S662 Y701 R703 F1092	S662-R705 PolarHBondContact OG-NH1 2.66Å; Y701-R705 WeakPolarHBondContact O-CB 3.32Å; Y701-R705 PolarHBondContact O-N 1.9Å; R703-R705 VanDerWaalsContact C-N 3.29Å; R703-R705 PolarHBondContact O-N 3.13Å; R705-F1092 HydrophobicContact CB-CZ 3.94Å; R705-F1092 HydrophobicContact CG-CE2 4.44Å; R705-F1092 HydrophobicContact CG-CZ 4.14Å
706	R	68.9	Low	80.5	Confident	194 Å²	194	85 Å²	85	73%	0.732	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-16	172	-66.1	168.9	-176.2	-179.3	0.1	113	I702 R703 L704 K708	I702-R706 WeakPolarHBondContact O-CG 3.31Å; R703-R706 WeakPolarHBondContact O-CB 3.32Å; R703-R706 PolarHBondContact O-N 3.46Å; L704-R706 VanDerWaalsContact C-N 3.25Å; L704-R706 PolarHBondContact O-N 2.86Å; R706-K708 PolarHBondContact O-N 3.22Å
707	A	71.7	Confident	81.2	Confident	50 Å²	50	83.5 Å²	83.5	41%	0.413	40%	0.4	S	S	.	.	S	Bend	trans	-68.9	115.8	174.7	0	0	0	0	0	109.1	R703 L704	R703-A707 PolarHBondContact O-N 3.39Å; L704-A707 PolarHBondContact O-N 3.08Å
708	K	76.9	Confident	82	Confident	195 Å²	195	84.9 Å²	84.9	85%	0.848	41%	0.406	S	S	*	.			trans	-63.7	141.9	170.5	-68.5	-172.8	176.6	-174.2	0	109.1	R706 M713	R706-K708 PolarHBondContact O-N 3.22Å; K708-M713 WeakPolarHBondContact O-CE 3.17Å
709	M	81.7	Confident	82.5	Confident	24 Å²	24	84.7 Å²	84.7	12%	0.118	41%	0.406	C	S	.	.			trans	-97.1	149.7	166.9	-64.5	-165.2	60.9	0	0	109.3	M713 F714 Y779 F781	M709-M713 HydrophobicContact CB-SD 4.3Å; M709-M713 HydrophobicContact CE-SD 4.41Å; M709-M713 HydrophobicContact CG-SD 4.41Å; M709-F714 HydrophobicContact CE-CE2 3.78Å; M709-F714 HydrophobicContact CE-CZ 3.75Å; M709-Y779 HydrophobicContact CE-CD1 3.67Å; M709-Y779 HydrophobicContact CE-CD2 3.68Å; M709-Y779 HydrophobicContact CE-CE1 4.22Å; M709-Y779 HydrophobicContact CE-CE2 4.18Å; M709-Y779 HydrophobicContact CE-CG 3.39Å; M709-Y779 HydrophobicContact SD-CD1 3.44Å; M709-Y779 WeakPolarHBondContact SD-CD1 3.22Å; M709-Y779 HydrophobicContact SD-CE1 4.19Å; M709-Y779 HydrophobicContact SD-CG 3.67Å; M709-F781 HydrophobicContact CB-CB 4.13Å; M709-F781 HydrophobicContact CB-CD1 4.07Å; M709-F781 HydrophobicContact CB-CG 4.04Å
710	D	86.3	Confident	83	Confident	77 Å²	77	82.8 Å²	82.8	41%	0.412	39%	0.392	S	S	.	.			trans	-142.8	155.5	-174.8	-179.1	34.4	0	0	0	110.2	S712 M713	D710-S712 PolarHBondContact O-N 2.96Å; D710-S712 VanDerWaalsContact OD2-CB 3.31Å; D710-S712 WeakPolarHBondContact OD2-CB 3.31Å; D710-S712 PolarHBondContact OD2-OG 3.43Å; D710-M713 HydrophobicContact CB-CE 4.42Å; D710-M713 WeakPolarHBondContact O-CB 3.25Å; D710-M713 WeakPolarHBondContact O-CG 3.34Å; D710-M713 PolarHBondContact O-N 3.11Å; D710-M713 VanDerWaalsContact O-N 3.15Å
711	K	90.4	Very high	83.6	Confident	111 Å²	111	80.1 Å²	80.1	48%	0.483	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-58.6	-35.4	179.8	-168.9	-172.1	-167.9	167.2	0	111.8	M713 F714 Y788	K711-M713 PolarHBondContact O-N 3.48Å; K711-F714 PolarHBondContact O-N 3.39Å; K711-Y788 HydrophobicContact CD-CE1 4.34Å; K711-Y788 WeakPolarHBondContact CD-OH 3.38Å; K711-Y788 HydrophobicContact CG-CE1 4.24Å
712	S	91.7	Very high	84.3	Confident	83 Å²	83	82.7 Å²	82.7	58%	0.58	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-56.6	-19.1	177.5	61.6	0	0	0	0	114.7	D710 F714	D710-S712 PolarHBondContact O-N 2.96Å; D710-S712 VanDerWaalsContact OD2-CB 3.31Å; D710-S712 WeakPolarHBondContact OD2-CB 3.31Å; D710-S712 PolarHBondContact OD2-OG 3.43Å; S712-F714 PolarHBondContact O-N 3.39Å
713	M	90.8	Very high	84.2	Confident	67 Å²	67	82.9 Å²	82.9	33%	0.33	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-74.3	-9.5	176.3	-57.7	-179.8	179.8	0	0	113.3	K708 M709 D710 K711 K733 V734	K708-M713 WeakPolarHBondContact O-CE 3.17Å; M709-M713 HydrophobicContact CB-SD 4.3Å; M709-M713 HydrophobicContact CE-SD 4.41Å; M709-M713 HydrophobicContact CG-SD 4.41Å; D710-M713 HydrophobicContact CB-CE 4.42Å; D710-M713 WeakPolarHBondContact O-CB 3.25Å; D710-M713 WeakPolarHBondContact O-CG 3.34Å; D710-M713 PolarHBondContact O-N 3.11Å; D710-M713 VanDerWaalsContact O-N 3.15Å; K711-M713 PolarHBondContact O-N 3.48Å; M713-K733 WeakPolarHBondContact O-CA 3.4Å; M713-V734 PolarHBondContact O-N 2.66Å
714	F	94.7	Very high	84.2	Confident	22 Å²	22	77.6 Å²	77.6	10%	0.096	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	117.4	-173.5	-59.7	-87	0	0	0	111.8	M709 K711 S712 A731 R732 K733 Y740 Y779 F781 V790	M709-F714 HydrophobicContact CE-CE2 3.78Å; M709-F714 HydrophobicContact CE-CZ 3.75Å; K711-F714 PolarHBondContact O-N 3.39Å; S712-F714 PolarHBondContact O-N 3.39Å; F714-A731 HydrophobicContact CB-CB 4.4Å; F714-R732 CarbonylContact C-O 3.35Å; F714-R732 WeakPolarHBondContact CA-O 3.36Å; F714-K733 HydrophobicContact CD1-CB 3.85Å; F714-K733 HydrophobicContact CD1-CG 4.09Å; F714-K733 HydrophobicContact CE1-CB 3.71Å; F714-K733 HydrophobicContact CE1-CD 3.67Å; F714-K733 HydrophobicContact CE1-CG 3.63Å; F714-K733 HydrophobicContact CZ-CD 3.95Å; F714-K733 HydrophobicContact CZ-CG 4.11Å; F714-Y740 HydrophobicContact CE1-CD2 4.15Å; F714-Y740 HydrophobicContact CE1-CE2 4.49Å; F714-Y779 HydrophobicContact CE1-CD2 4.24Å; F714-Y779 HydrophobicContact CE1-CE2 4.38Å; F714-Y779 AromaticContact CZ-CD2 3.67Å; F714-Y779 HydrophobicContact CZ-CD2 3.67Å; F714-Y779 HydrophobicContact CZ-CE2 4.03Å; F714-F781 HydrophobicContact CD2-CE1 4.17Å; F714-F781 HydrophobicContact CD2-CZ 4.03Å; F714-F781 AromaticContact CE2-CE1 3.74Å; F714-F781 HydrophobicContact CE2-CE1 3.74Å; F714-F781 HydrophobicContact CE2-CZ 4.04Å; F714-V790 HydrophobicContact CD1-CG1 4.31Å; F714-V790 HydrophobicContact CE1-CB 4.48Å; F714-V790 HydrophobicContact CE1-CG1 3.67Å; F714-V790 HydrophobicContact CE1-CG2 4.14Å; F714-V790 HydrophobicContact CE2-CG2 4.23Å; F714-V790 HydrophobicContact CZ-CB 4.5Å; F714-V790 HydrophobicContact CZ-CG1 4.12Å; F714-V790 HydrophobicContact CZ-CG2 3.97Å
715	V	95.5	Very high	84.7	Confident	86 Å²	86	76.1 Å²	76.1	52%	0.521	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	116.5	173.9	177.8	0	0	0	0	109	I717 A731 R732 V734	V715-I717 PolarHBondContact O-N 2.8Å; V715-A731 CarbonylContact O-C 3.53Å; V715-A731 WeakPolarHBondContact O-CA 3.34Å; V715-A731 WeakPolarHBondContact O-CB 3.25Å; V715-R732 PolarHBondContact N-O 3.21Å; V715-R732 PolarHBondContact O-N 3.2Å; V715-V734 HydrophobicContact CG2-CG2 3.8Å
716	K	95.1	Very high	85.5	Confident	98 Å²	98	70.9 Å²	70.9	43%	0.426	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	128.8	171.7	175.5	174.4	175.1	173.5	0	109.7	T719 E727 C729	K716-T719 WeakPolarHBondContact CE-OG1 3.2Å; K716-T719 PolarHBondContact NZ-OG1 2.82Å; K716-E727 IonicContact NZ-OE1 2.7Å; K716-E727 PolarHBondContact NZ-OE1 2.71Å; K716-E727 IonicContact NZ-OE2 2.6Å; K716-E727 PolarHBondContact NZ-OE2 2.91Å; K716-C729 HydrophobicContact CD-CB 4.33Å; K716-C729 WeakPolarHBondContact CE-SG 3.48Å; K716-C729 HydrophobicContact CG-CB 4.09Å
717	I	94.3	Very high	86.5	Confident	71 Å²	71	63.4 Å²	63.4	36%	0.364	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	-55	174	-63.4	176.5	0	0	0	109.8	V715 L730 R732 L739 T1043	V715-I717 PolarHBondContact O-N 2.8Å; I717-L730 HydrophobicContact CB-CD2 4.34Å; I717-L730 HydrophobicContact CB-CG 4.13Å; I717-L730 HydrophobicContact CD1-CD2 4.38Å; I717-L730 HydrophobicContact CD1-CG 4.17Å; I717-L730 HydrophobicContact CG2-CD2 4.17Å; I717-L730 PolarHBondContact N-O 2.8Å; I717-R732 HydrophobicContact CD1-CB 4.08Å; I717-L739 HydrophobicContact CD1-CD2 3.59Å; I717-T1043 HydrophobicContact CD1-CG2 3.93Å
718	K	93.3	Very high	87.5	Confident	99 Å²	99	63.1 Å²	63.1	43%	0.43	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	143.4	-175.3	-176.5	168	173.7	-172	0	110.9	C729 L730 T1045	K718-C729 CarbonylContact O-C 3.58Å; K718-C729 WeakPolarHBondContact O-CA 3.48Å; K718-L730 PolarHBondContact N-O 2.99Å; K718-L730 PolarHBondContact O-N 3.23Å; K718-T1045 HydrophobicContact CD-CG2 3.93Å; K718-T1045 WeakPolarHBondContact CE-OG1 3.2Å; K718-T1045 PolarHBondContact NZ-OG1 3.36Å
719	T	92.8	Very high	88.4	Confident	13 Å²	13	54 Å²	54	8%	0.08	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	130.5	169.3	-56.5	0	0	0	0	109.4	K716 V722 E727 V728 V1051 L1056	K716-T719 WeakPolarHBondContact CE-OG1 3.2Å; K716-T719 PolarHBondContact NZ-OG1 2.82Å; T719-V722 HydrophobicContact CG2-CG2 4.38Å; T719-E727 HydrophobicContact CG2-CB 4.03Å; T719-E727 WeakPolarHBondContact CG2-OE2 3.34Å; T719-E727 PolarHBondContact OG1-OE2 2.84Å; T719-V728 WeakPolarHBondContact CG2-O 3.2Å; T719-V1051 HydrophobicContact CG2-CB 4.41Å; T719-V1051 HydrophobicContact CG2-CG1 3.93Å; T719-V1051 HydrophobicContact CG2-CG2 4.26Å; T719-L1056 HydrophobicContact CG2-CD2 4.17Å
720	L	90.4	Very high	89.1	Confident	14 Å²	14	52.9 Å²	52.9	7%	0.073	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-26.4	180	-63.1	171.8	0	0	0	112.3	V728 L730 A741 Y793 T1045 F1048	L720-V728 HydrophobicContact CB-CG1 4.39Å; L720-V728 HydrophobicContact CD1-CG1 4.39Å; L720-V728 PolarHBondContact N-O 3.46Å; L720-L730 HydrophobicContact CD1-CB 4.05Å; L720-L730 HydrophobicContact CD2-CB 4.15Å; L720-L730 HydrophobicContact CG-CB 4.11Å; L720-A741 HydrophobicContact CD1-CB 4.41Å; L720-Y793 HydrophobicContact CD1-CD2 3.85Å; L720-Y793 HydrophobicContact CD1-CE2 3.58Å; L720-Y793 HydrophobicContact CD2-CE2 3.96Å; L720-Y793 HydrophobicContact CG-CE2 4.43Å; L720-T1045 HydrophobicContact CD2-CG2 3.65Å; L720-F1048 HydrophobicContact CB-CD1 3.91Å; L720-F1048 HydrophobicContact CB-CE1 4.06Å; L720-F1048 HydrophobicContact CD1-CE1 4.22Å; L720-F1048 HydrophobicContact CD1-CZ 4.32Å; L720-F1048 HydrophobicContact CD2-CD1 4.02Å; L720-F1048 HydrophobicContact CD2-CD2 4Å; L720-F1048 HydrophobicContact CD2-CE1 4.12Å; L720-F1048 HydrophobicContact CD2-CE2 4.1Å; L720-F1048 HydrophobicContact CD2-CG 3.95Å; L720-F1048 HydrophobicContact CD2-CZ 4.15Å; L720-F1048 HydrophobicContact CG-CD1 4.44Å; L720-F1048 HydrophobicContact CG-CE1 4.36Å
721	G	85.9	Confident	89.6	Confident	23 Å²	23	49.3 Å²	49.3	24%	0.237	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.2	161.8	179.1	0	0	0	0	0	112.5	V728	G721-V728 PolarHBondContact N-O 3.2Å; G721-V728 PolarHBondContact O-N 3.39Å
722	V	83.1	Confident	89.8	Confident	85 Å²	85	48 Å²	48	52%	0.515	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.6	-176.6	-165.9	0	0	0	0	109.1	T719 V1051 L1056	T719-V722 HydrophobicContact CG2-CG2 4.38Å; V722-V1051 HydrophobicContact CG2-CG1 3.55Å; V722-V1051 HydrophobicContact CG2-CG2 4.44Å; V722-L1056 HydrophobicContact CB-CD2 4.48Å; V722-L1056 HydrophobicContact CG1-CD2 4.23Å; V722-L1056 HydrophobicContact CG2-CD2 3.42Å; V722-L1056 VanDerWaalsContact CG2-CD2 3.42Å
723	G	75.1	Confident	89.9	Confident	47 Å²	47	44.3 Å²	44.3	49%	0.485	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	169.8	178.5	0	0	0	0	0	112.3	F725 G726	G723-F725 PolarHBondContact O-N 3.17Å; G723-G726 PolarHBondContact N-O 2.75Å; G723-G726 PolarHBondContact O-N 3.37Å
724	A	72.9	Confident	90	Very high	61 Å²	61	45 Å²	45	50%	0.504	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	1.6	-175.1	0	0	0	0	0	116.2
725	F	79.3	Confident	89.7	Confident	47 Å²	47	49.3 Å²	49.3	21%	0.206	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.8	-1	-176.9	-43.7	-78.1	0	0	0	113.6	G723 L745 R746 D749 V750 R753 Q755	G723-F725 PolarHBondContact O-N 3.17Å; F725-L745 HydrophobicContact CB-CB 4.38Å; F725-L745 HydrophobicContact CB-CD2 4.37Å; F725-L745 HydrophobicContact CB-CG 4.47Å; F725-L745 CarbonylContact O-C 3.58Å; F725-L745 WeakPolarHBondContact O-CA 3.32Å; F725-R746 PolarHBondContact O-N 3.26Å; F725-D749 HydrophobicContact CD1-CB 4.38Å; F725-V750 HydrophobicContact CB-CG2 4.29Å; F725-V750 HydrophobicContact CD1-CG2 4.38Å; F725-V750 HydrophobicContact CG-CG2 4.49Å; F725-R753 HydrophobicContact CE1-CB 4.08Å; F725-R753 VanDerWaalsContact CE1-CD 3.41Å; F725-R753 HydrophobicContact CE1-CG 4.38Å; F725-Q755 HydrophobicContact CE1-CB 4.17Å; F725-Q755 HydrophobicContact CE1-CG 3.63Å; F725-Q755 HydrophobicContact CZ-CB 4.38Å; F725-Q755 HydrophobicContact CZ-CG 3.68Å
726	G	85.6	Confident	89.4	Confident	22 Å²	22	46.3 Å²	46.3	23%	0.227	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147.6	-156.3	-172.4	0	0	0	0	0	113.3	G723 T744	G723-G726 PolarHBondContact N-O 2.75Å; G723-G726 PolarHBondContact O-N 3.37Å; G726-T744 CarbonylContact C-O 3.59Å; G726-T744 VanDerWaalsContact CA-O 3.31Å; G726-T744 WeakPolarHBondContact CA-O 3.15Å
727	E	90.2	Very high	89.1	Confident	36 Å²	36	46.8 Å²	46.8	17%	0.168	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	154.2	-169.1	61.1	168.7	178.7	0	0	114.1	K716 T719 C729 T744	K716-E727 IonicContact NZ-OE1 2.7Å; K716-E727 PolarHBondContact NZ-OE1 2.71Å; K716-E727 IonicContact NZ-OE2 2.6Å; K716-E727 PolarHBondContact NZ-OE2 2.91Å; T719-E727 HydrophobicContact CG2-CB 4.03Å; T719-E727 WeakPolarHBondContact CG2-OE2 3.34Å; T719-E727 PolarHBondContact OG1-OE2 2.84Å; E727-C729 PolarHBondContact OE1-SG 3.45Å; E727-C729 PolarHBondContact OE2-SG 3.04Å; E727-C729 VanDerWaalsContact OE2-SG 3.36Å; E727-T744 PolarHBondContact N-O 3.16Å; E727-T744 VanDerWaalsContact N-O 3.1Å; E727-T744 PolarHBondContact O-N 3.41Å
728	V	92.6	Very high	89	Confident	44 Å²	44	43.6 Å²	43.6	27%	0.267	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127	167.4	-179.5	0	0	0	0	108.4	T719 L720 G721 A741 T742 K743	T719-V728 WeakPolarHBondContact CG2-O 3.2Å; L720-V728 HydrophobicContact CB-CG1 4.39Å; L720-V728 HydrophobicContact CD1-CG1 4.39Å; L720-V728 PolarHBondContact N-O 3.46Å; G721-V728 PolarHBondContact N-O 3.2Å; G721-V728 PolarHBondContact O-N 3.39Å; V728-A741 HydrophobicContact CG1-CB 4.33Å; V728-T742 WeakPolarHBondContact CA-O 3.47Å; V728-K743 HydrophobicContact CG2-CB 4.14Å; V728-K743 HydrophobicContact CG2-CG 3.87Å
729	C	94.8	Very high	89.1	Confident	4 Å²	4	39.9 Å²	39.9	3%	0.027	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	142.2	-177.9	-63.4	0	0	0	0	112.8	K716 K718 E727 A731 A741 T742	K716-C729 HydrophobicContact CD-CB 4.33Å; K716-C729 WeakPolarHBondContact CE-SG 3.48Å; K716-C729 HydrophobicContact CG-CB 4.09Å; K718-C729 CarbonylContact O-C 3.58Å; K718-C729 WeakPolarHBondContact O-CA 3.48Å; E727-C729 PolarHBondContact OE1-SG 3.45Å; E727-C729 PolarHBondContact OE2-SG 3.04Å; E727-C729 VanDerWaalsContact OE2-SG 3.36Å; C729-A731 PolarHBondContact O-N 3.17Å; C729-A741 CarbonylContact O-C 3.57Å; C729-A741 WeakPolarHBondContact O-CA 3.31Å; C729-T742 PolarHBondContact N-O 3.5Å; C729-T742 PolarHBondContact O-N 3.04Å
730	L	96.1	Very high	89.2	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	126.2	157.4	176.7	59	0	0	0	108.1	I717 K718 L720 L739 Y793 T1043 T1045	I717-L730 HydrophobicContact CB-CD2 4.34Å; I717-L730 HydrophobicContact CB-CG 4.13Å; I717-L730 HydrophobicContact CD1-CD2 4.38Å; I717-L730 HydrophobicContact CD1-CG 4.17Å; I717-L730 HydrophobicContact CG2-CD2 4.17Å; I717-L730 PolarHBondContact N-O 2.8Å; K718-L730 PolarHBondContact N-O 2.99Å; K718-L730 PolarHBondContact O-N 3.23Å; L720-L730 HydrophobicContact CD1-CB 4.05Å; L720-L730 HydrophobicContact CD2-CB 4.15Å; L720-L730 HydrophobicContact CG-CB 4.11Å; L730-L739 HydrophobicContact CD1-CB 4.18Å; L730-L739 HydrophobicContact CD1-CD2 4.18Å; L730-Y793 HydrophobicContact CD1-CD1 3.59Å; L730-Y793 HydrophobicContact CD1-CD2 3.84Å; L730-Y793 HydrophobicContact CD1-CE1 3.82Å; L730-Y793 HydrophobicContact CD1-CE2 4.1Å; L730-Y793 HydrophobicContact CD1-CG 3.59Å; L730-Y793 HydrophobicContact CD2-CE1 4.18Å; L730-T1043 HydrophobicContact CD2-CG2 4.24Å; L730-T1045 HydrophobicContact CD2-CG2 4.09Å
731	A	96.3	Very high	89.5	Confident	3 Å²	3	39 Å²	39	3%	0.025	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	150.7	178.4	0	0	0	0	0	111.7	F714 V715 C729 L739 Y740	F714-A731 HydrophobicContact CB-CB 4.4Å; V715-A731 CarbonylContact O-C 3.53Å; V715-A731 WeakPolarHBondContact O-CA 3.34Å; V715-A731 WeakPolarHBondContact O-CB 3.25Å; C729-A731 PolarHBondContact O-N 3.17Å; A731-L739 WeakPolarHBondContact O-CA 3.22Å; A731-Y740 PolarHBondContact N-O 2.78Å; A731-Y740 PolarHBondContact O-N 3.46Å
732	R	96	Very high	89.9	Confident	82 Å²	82	38.4 Å²	38.4	31%	0.309	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	129.7	172.6	-166.6	179.8	-57.7	-79.7	4.8	110.4	F714 V715 I717 N737 A738 L739	F714-R732 CarbonylContact C-O 3.35Å; F714-R732 WeakPolarHBondContact CA-O 3.36Å; V715-R732 PolarHBondContact N-O 3.21Å; V715-R732 PolarHBondContact O-N 3.2Å; I717-R732 HydrophobicContact CD1-CB 4.08Å; R732-N737 WeakPolarHBondContact CD-OD1 3.13Å; R732-N737 VanDerWaalsContact CG-O 3.3Å; R732-N737 WeakPolarHBondContact CG-O 3.22Å; R732-N737 PolarHBondContact NH1-O 3.2Å; R732-A738 CarbonylContact C-O 3.58Å; R732-A738 WeakPolarHBondContact CA-O 3.2Å; R732-L739 HydrophobicContact CB-CD2 4.19Å; R732-L739 HydrophobicContact CG-CD2 4.34Å
733	K	94.1	Very high	90.5	Very high	7 Å²	7	36 Å²	36	3%	0.03	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	124.7	175.3	-173.7	175.2	161.4	-69.3	0	110.1	M713 F714 D735 T736 N737 A738 Y740 Y779	M713-K733 WeakPolarHBondContact O-CA 3.4Å; F714-K733 HydrophobicContact CD1-CB 3.85Å; F714-K733 HydrophobicContact CD1-CG 4.09Å; F714-K733 HydrophobicContact CE1-CB 3.71Å; F714-K733 HydrophobicContact CE1-CD 3.67Å; F714-K733 HydrophobicContact CE1-CG 3.63Å; F714-K733 HydrophobicContact CZ-CD 3.95Å; F714-K733 HydrophobicContact CZ-CG 4.11Å; K733-D735 WeakPolarHBondContact CE-OD1 3.27Å; K733-D735 WeakPolarHBondContact CG-OD1 3.49Å; K733-D735 IonicContact NZ-OD1 3.14Å; K733-D735 PolarHBondContact NZ-OD1 3.15Å; K733-D735 IonicContact NZ-OD2 2.78Å; K733-D735 PolarHBondContact NZ-OD2 3.21Å; K733-D735 PolarHBondContact O-N 3.33Å; K733-T736 PolarHBondContact NZ-OG1 3Å; K733-T736 PolarHBondContact O-N 2.99Å; K733-N737 VanDerWaalsContact O-CA 3.25Å; K733-N737 WeakPolarHBondContact O-CA 3.22Å; K733-N737 PolarHBondContact O-N 2.99Å; K733-A738 PolarHBondContact N-O 3.05Å; K733-Y740 HydrophobicContact CB-CD2 3.94Å; K733-Y740 HydrophobicContact CB-CE2 3.62Å; K733-Y740 HydrophobicContact CD-CE2 3.75Å; K733-Y740 HydrophobicContact CG-CE2 4.33Å; K733-Y779 HydrophobicContact CD-CE2 3.87Å
734	V	92.5	Very high	91.4	Very high	80 Å²	80	34.7 Å²	34.7	49%	0.485	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-40.9	-162.4	175.9	0	0	0	0	114	M713 V715	M713-V734 PolarHBondContact O-N 2.66Å; V715-V734 HydrophobicContact CG2-CG2 3.8Å
735	D	87.6	Confident	92.3	Very high	114 Å²	114	32.1 Å²	32.1	61%	0.61	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-20.4	-175.6	59.9	-41.7	0	0	0	114.3	K733	K733-D735 WeakPolarHBondContact CE-OD1 3.27Å; K733-D735 WeakPolarHBondContact CG-OD1 3.49Å; K733-D735 IonicContact NZ-OD1 3.14Å; K733-D735 PolarHBondContact NZ-OD1 3.15Å; K733-D735 IonicContact NZ-OD2 2.78Å; K733-D735 PolarHBondContact NZ-OD2 3.21Å; K733-D735 PolarHBondContact O-N 3.33Å
736	T	88.9	Confident	92.8	Very high	23 Å²	23	34.2 Å²	34.2	14%	0.141	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	-4.1	179.5	58.5	0	0	0	0	114.1	K733 A738 G1097	K733-T736 PolarHBondContact NZ-OG1 3Å; K733-T736 PolarHBondContact O-N 2.99Å; T736-A738 PolarHBondContact O-N 3.17Å; T736-A738 WeakPolarHBondContact OG1-CB 3.46Å; T736-G1097 WeakPolarHBondContact CB-O 3.48Å; T736-G1097 PolarHBondContact OG1-O 2.69Å
737	N	89.9	Confident	93	Very high	107 Å²	107	34.4 Å²	34.4	57%	0.572	18%	0.175	S	C	*	.			trans	52.7	9.9	-171.9	-78	-55.6	0	0	0	115.8	R732 K733	R732-N737 WeakPolarHBondContact CD-OD1 3.13Å; R732-N737 VanDerWaalsContact CG-O 3.3Å; R732-N737 WeakPolarHBondContact CG-O 3.22Å; R732-N737 PolarHBondContact NH1-O 3.2Å; K733-N737 VanDerWaalsContact O-CA 3.25Å; K733-N737 WeakPolarHBondContact O-CA 3.22Å; K733-N737 PolarHBondContact O-N 2.99Å
738	A	91.8	Very high	92.8	Very high	5 Å²	5	36.3 Å²	36.3	4%	0.041	18%	0.183	C	C	.	.			trans	-70.3	147.5	-179.2	0	0	0	0	0	112.4	R732 K733 T736 Y740 G1097 Y1098	R732-A738 CarbonylContact C-O 3.58Å; R732-A738 WeakPolarHBondContact CA-O 3.2Å; K733-A738 PolarHBondContact N-O 3.05Å; T736-A738 PolarHBondContact O-N 3.17Å; T736-A738 WeakPolarHBondContact OG1-CB 3.46Å; A738-Y740 HydrophobicContact CB-CE2 3.64Å; A738-G1097 WeakPolarHBondContact CB-O 3.43Å; A738-Y1098 HydrophobicContact CB-CD1 4.46Å
739	L	94.9	Very high	92.5	Very high	21 Å²	21	35 Å²	35	11%	0.11	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	139.7	179.7	-64.2	175.8	0	0	0	111.1	I717 L730 A731 R732 P1042 T1043	I717-L739 HydrophobicContact CD1-CD2 3.59Å; L730-L739 HydrophobicContact CD1-CB 4.18Å; L730-L739 HydrophobicContact CD1-CD2 4.18Å; A731-L739 WeakPolarHBondContact O-CA 3.22Å; R732-L739 HydrophobicContact CB-CD2 4.19Å; R732-L739 HydrophobicContact CG-CD2 4.34Å; L739-P1042 HydrophobicContact CD1-CB 3.89Å; L739-P1042 WeakPolarHBondContact CD1-O 3.15Å; L739-T1043 HydrophobicContact CD1-CG2 3.62Å; L739-T1043 HydrophobicContact CD2-CG2 3.88Å; L739-T1043 HydrophobicContact CG-CG2 4.42Å
740	Y	96	Very high	92.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	151.5	179.6	-61.6	-78.5	0	0	0	110.7	F714 A731 K733 A738 Y778 V790 M791 G1097	F714-Y740 HydrophobicContact CE1-CD2 4.15Å; F714-Y740 HydrophobicContact CE1-CE2 4.49Å; A731-Y740 PolarHBondContact N-O 2.78Å; A731-Y740 PolarHBondContact O-N 3.46Å; K733-Y740 HydrophobicContact CB-CD2 3.94Å; K733-Y740 HydrophobicContact CB-CE2 3.62Å; K733-Y740 HydrophobicContact CD-CE2 3.75Å; K733-Y740 HydrophobicContact CG-CE2 4.33Å; A738-Y740 HydrophobicContact CB-CE2 3.64Å; Y740-Y778 AromaticContact CD1-CD2 3.66Å; Y740-Y778 HydrophobicContact CD1-CD2 3.66Å; Y740-Y778 HydrophobicContact CD1-CE2 4.02Å; Y740-Y778 HydrophobicContact CD1-CG 4.27Å; Y740-Y778 HydrophobicContact CE1-CD1 4.19Å; Y740-Y778 AromaticContact CE1-CD2 3.47Å; Y740-Y778 HydrophobicContact CE1-CD2 3.47Å; Y740-Y778 VanDerWaalsContact CE1-CD2 3.47Å; Y740-Y778 HydrophobicContact CE1-CE1 4.46Å; Y740-Y778 AromaticContact CE1-CE2 3.79Å; Y740-Y778 HydrophobicContact CE1-CE2 3.79Å; Y740-Y778 AromaticContact CE1-CG 3.7Å; Y740-Y778 HydrophobicContact CE1-CG 3.7Å; Y740-V790 VanDerWaalsContact CB-CG1 3.46Å; Y740-V790 HydrophobicContact CD1-CG1 3.92Å; Y740-V790 HydrophobicContact CD2-CG1 4.09Å; Y740-V790 HydrophobicContact CG-CG1 3.55Å; Y740-M791 WeakPolarHBondContact CA-O 3.44Å; Y740-M791 WeakPolarHBondContact CB-O 3.46Å; Y740-G1097 PolarHBondContact OH-O 3.45Å; Y740-G1097 VanDerWaalsContact OH-O 3.1Å
741	A	96	Very high	91.5	Very high	8 Å²	8	36.3 Å²	36.3	7%	0.066	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	132	160.2	0	0	0	0	0	109	L720 V728 C729 V790 M791 D792	L720-A741 HydrophobicContact CD1-CB 4.41Å; V728-A741 HydrophobicContact CG1-CB 4.33Å; C729-A741 CarbonylContact O-C 3.57Å; C729-A741 WeakPolarHBondContact O-CA 3.31Å; A741-V790 WeakPolarHBondContact O-CA 3.34Å; A741-M791 HydrophobicContact CB-CG 4Å; A741-M791 PolarHBondContact N-O 3.05Å; A741-M791 VanDerWaalsContact O-CG 3.27Å; A741-M791 WeakPolarHBondContact O-CG 3.31Å; A741-M791 PolarHBondContact O-N 2.83Å; A741-D792 WeakPolarHBondContact CB-O 3.43Å
742	T	95.2	Very high	90.8	Very high	11 Å²	11	41.9 Å²	41.9	7%	0.067	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	107.5	-179.5	-58	0	0	0	0	110	V728 C729 Y788 F789 V790	V728-T742 WeakPolarHBondContact CA-O 3.47Å; C729-T742 PolarHBondContact N-O 3.5Å; C729-T742 PolarHBondContact O-N 3.04Å; T742-Y788 HydrophobicContact CG2-CD1 4.3Å; T742-F789 CarbonylContact C-O 3.5Å; T742-F789 VanDerWaalsContact CA-O 3.22Å; T742-F789 WeakPolarHBondContact CA-O 3.38Å; T742-V790 HydrophobicContact CG2-CG2 4.26Å
743	K	94.4	Very high	90.1	Very high	33 Å²	33	44.9 Å²	44.9	14%	0.143	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	114.9	174.6	-167.8	-177.1	-163.1	-175.3	0	108.2	V728 L745 E762 Y788 F789 D855	V728-K743 HydrophobicContact CG2-CB 4.14Å; V728-K743 HydrophobicContact CG2-CG 3.87Å; K743-L745 HydrophobicContact CB-CD1 4.46Å; K743-L745 HydrophobicContact CD-CD1 4.22Å; K743-L745 HydrophobicContact CG-CD1 3.83Å; K743-E762 WeakPolarHBondContact CD-OE1 3.42Å; K743-E762 IonicContact NZ-OE1 3.72Å; K743-E762 PolarHBondContact NZ-OE1 2.99Å; K743-E762 IonicContact NZ-OE2 3.13Å; K743-E762 PolarHBondContact NZ-OE2 3.1Å; K743-Y788 WeakPolarHBondContact O-CA 3.14Å; K743-F789 HydrophobicContact CB-CB 4.17Å; K743-F789 HydrophobicContact CB-CD2 4.32Å; K743-F789 HydrophobicContact CD-CD2 4.32Å; K743-F789 PolarHBondContact N-O 3.37Å; K743-F789 PolarHBondContact O-N 3.05Å; K743-D855 IonicContact NZ-OD1 3.6Å; K743-D855 PolarHBondContact NZ-OD1 2.76Å
744	T	93.8	Very high	89.5	Confident	21 Å²	21	48 Å²	48	13%	0.129	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	124.5	178.7	-56.3	0	0	0	0	109.5	G726 E727 N786 L787 Y788	G726-T744 CarbonylContact C-O 3.59Å; G726-T744 VanDerWaalsContact CA-O 3.31Å; G726-T744 WeakPolarHBondContact CA-O 3.15Å; E727-T744 PolarHBondContact N-O 3.16Å; E727-T744 VanDerWaalsContact N-O 3.1Å; E727-T744 PolarHBondContact O-N 3.41Å; T744-N786 HydrophobicContact CG2-CB 4.19Å; T744-L787 CarbonylContact C-O 3.52Å; T744-L787 WeakPolarHBondContact CA-O 3.4Å; T744-Y788 HydrophobicContact CG2-CD1 3.93Å; T744-Y788 HydrophobicContact CG2-CE1 3.45Å; T744-Y788 VanDerWaalsContact CG2-CE1 3.45Å; T744-Y788 WeakPolarHBondContact OG1-CD1 3.33Å; T744-Y788 WeakPolarHBondContact OG1-CE1 3.36Å
745	L	92.1	Very high	89.1	Confident	6 Å²	6	46.5 Å²	46.5	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.1	179.6	-56.1	79.6	0	0	0	110.6	F725 K743 K747 V750 V759 N786 L787 F789	F725-L745 HydrophobicContact CB-CB 4.38Å; F725-L745 HydrophobicContact CB-CD2 4.37Å; F725-L745 HydrophobicContact CB-CG 4.47Å; F725-L745 CarbonylContact O-C 3.58Å; F725-L745 WeakPolarHBondContact O-CA 3.32Å; K743-L745 HydrophobicContact CB-CD1 4.46Å; K743-L745 HydrophobicContact CD-CD1 4.22Å; K743-L745 HydrophobicContact CG-CD1 3.83Å; L745-K747 PolarHBondContact O-N 2.91Å; L745-V750 HydrophobicContact CB-CG2 4.08Å; L745-V750 HydrophobicContact CD2-CG2 4.23Å; L745-V759 HydrophobicContact CD2-CG2 3.8Å; L745-N786 CarbonylContact O-C 3.51Å; L745-N786 VanDerWaalsContact O-CA 3.32Å; L745-N786 WeakPolarHBondContact O-CA 3.47Å; L745-L787 HydrophobicContact CB-CB 4.38Å; L745-L787 PolarHBondContact N-O 3.35Å; L745-L787 PolarHBondContact O-N 3.24Å; L745-F789 HydrophobicContact CD1-CD2 3.6Å; L745-F789 HydrophobicContact CD1-CE2 3.53Å; L745-F789 HydrophobicContact CD2-CE2 4.44Å
746	R	90.6	Very high	89	Confident	91 Å²	91	41.3 Å²	41.3	34%	0.343	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	123.1	177.7	-60.3	-171.9	-63.1	-146.8	1.1	109.9	F725 K748 D749 V750	F725-R746 PolarHBondContact O-N 3.26Å; R746-K748 HydrophobicContact CB-CG 4.48Å; R746-K748 PolarHBondContact O-N 2.93Å; R746-D749 HydrophobicContact CB-CB 4.43Å; R746-D749 IonicContact CZ-OD2 2.8Å; R746-D749 IonicContact NE-OD2 1.98Å; R746-D749 PolarHBondContact NE-OD2 2.87Å; R746-D749 IonicContact NH2-OD2 2.81Å; R746-D749 PolarHBondContact NH2-OD2 3.06Å; R746-D749 PolarHBondContact O-N 3.32Å; R746-D749 VanDerWaalsContact O-N 3.13Å; R746-V750 PolarHBondContact O-N 3.34Å; R746-V750 VanDerWaalsContact O-N 3.15Å
747	K	89.2	Confident	88.6	Confident	26 Å²	26	40.2 Å²	40.2	11%	0.113	19%	0.191	C	C	.	.	H	α-helix	trans	-59.7	-35	-179.4	-71.6	173.2	170.1	178.1	0	112.2	L745 D749 V750 L751 D783 K784 D785 N786 L787 F1084	L745-K747 PolarHBondContact O-N 2.91Å; K747-D749 VanDerWaalsContact C-N 3.32Å; K747-D749 PolarHBondContact O-N 3.29Å; K747-V750 PolarHBondContact O-N 2.86Å; K747-L751 WeakPolarHBondContact O-CB 3.45Å; K747-L751 VanDerWaalsContact O-CG 3.31Å; K747-L751 WeakPolarHBondContact O-CG 3Å; K747-L751 PolarHBondContact O-N 2.96Å; K747-D783 PolarHBondContact NZ-O 3.41Å; K747-K784 WeakPolarHBondContact CD-O 3.27Å; K747-K784 PolarHBondContact NZ-O 2.83Å; K747-D785 VanDerWaalsContact CB-O 3.28Å; K747-D785 WeakPolarHBondContact CB-O 3.44Å; K747-D785 WeakPolarHBondContact CG-O 3.35Å; K747-D785 PolarHBondContact N-O 2.92Å; K747-N786 WeakPolarHBondContact CE-O 3.42Å; K747-L787 HydrophobicContact CD-CD2 4.36Å; K747-L787 HydrophobicContact CG-CD2 4.07Å; K747-L787 HydrophobicContact CG-CG 3.91Å; K747-F1084 HydrophobicContact CB-CE2 4.31Å; K747-F1084 HydrophobicContact CD-CD2 4.35Å; K747-F1084 HydrophobicContact CG-CD2 4.3Å; K747-F1084 HydrophobicContact CG-CE2 4.06Å
748	K	86.3	Confident	88.3	Confident	76 Å²	76	35.9 Å²	35.9	33%	0.33	17%	0.168	S	C	.	.	H	α-helix	trans	-56.4	-46.5	176.1	75.1	175.8	-173.2	175.1	0	111.1	R746 L752 D1061 L1070	R746-K748 HydrophobicContact CB-CG 4.48Å; R746-K748 PolarHBondContact O-N 2.93Å; K748-L752 WeakPolarHBondContact O-CB 3.49Å; K748-L752 PolarHBondContact O-N 2.88Å; K748-D1061 IonicContact NZ-OD1 2.72Å; K748-D1061 PolarHBondContact NZ-OD1 3.42Å; K748-D1061 IonicContact NZ-OD2 3.03Å; K748-L1070 HydrophobicContact CB-CD2 4.17Å
749	D	85.8	Confident	88.2	Confident	17 Å²	17	36 Å²	36	9%	0.091	17%	0.168	C	C	.	.	H	α-helix	trans	-72.5	-42.2	-177.5	-59.5	-14.9	0	0	0	112.5	F725 R746 K747 L751 R753	F725-D749 HydrophobicContact CD1-CB 4.38Å; R746-D749 HydrophobicContact CB-CB 4.43Å; R746-D749 IonicContact CZ-OD2 2.8Å; R746-D749 IonicContact NE-OD2 1.98Å; R746-D749 PolarHBondContact NE-OD2 2.87Å; R746-D749 IonicContact NH2-OD2 2.81Å; R746-D749 PolarHBondContact NH2-OD2 3.06Å; R746-D749 PolarHBondContact O-N 3.32Å; R746-D749 VanDerWaalsContact O-N 3.13Å; K747-D749 VanDerWaalsContact C-N 3.32Å; K747-D749 PolarHBondContact O-N 3.29Å; D749-L751 VanDerWaalsContact C-N 3.33Å; D749-L751 PolarHBondContact O-N 2.74Å; D749-R753 VanDerWaalsContact O-CB 3.3Å; D749-R753 WeakPolarHBondContact O-CB 3.45Å; D749-R753 WeakPolarHBondContact O-CG 3.42Å; D749-R753 PolarHBondContact O-N 3.48Å
750	V	86.4	Confident	87.7	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.8	-40.2	178.8	175.2	0	0	0	0	111.3	F725 L745 R746 K747 N754 Q755 V756 V759 F1084	F725-V750 HydrophobicContact CB-CG2 4.29Å; F725-V750 HydrophobicContact CD1-CG2 4.38Å; F725-V750 HydrophobicContact CG-CG2 4.49Å; L745-V750 HydrophobicContact CB-CG2 4.08Å; L745-V750 HydrophobicContact CD2-CG2 4.23Å; R746-V750 PolarHBondContact O-N 3.34Å; R746-V750 VanDerWaalsContact O-N 3.15Å; K747-V750 PolarHBondContact O-N 2.86Å; V750-N754 PolarHBondContact O-N 2.84Å; V750-Q755 HydrophobicContact CG1-CB 4.26Å; V750-Q755 PolarHBondContact O-N 3.42Å; V750-V756 HydrophobicContact CG1-CG2 4.42Å; V750-V759 HydrophobicContact CG1-CB 4.44Å; V750-V759 HydrophobicContact CG1-CG2 3.79Å; V750-V759 HydrophobicContact CG2-CG2 4.2Å; V750-F1084 HydrophobicContact CB-CZ 4.33Å; V750-F1084 HydrophobicContact CG1-CE1 3.94Å; V750-F1084 HydrophobicContact CG1-CZ 3.82Å
751	L	84.5	Confident	87.1	Confident	32 Å²	32	35.5 Å²	35.5	17%	0.168	17%	0.165	C	C	.	.	H	α-helix	trans	-71.3	-51.5	176.4	-69.1	176.5	0	0	0	111.7	K747 D749 R753 N754 V756 P1080 A1083 F1084	K747-L751 WeakPolarHBondContact O-CB 3.45Å; K747-L751 VanDerWaalsContact O-CG 3.31Å; K747-L751 WeakPolarHBondContact O-CG 3Å; K747-L751 PolarHBondContact O-N 2.96Å; D749-L751 VanDerWaalsContact C-N 3.33Å; D749-L751 PolarHBondContact O-N 2.74Å; L751-R753 PolarHBondContact O-N 3.5Å; L751-N754 PolarHBondContact O-N 2.85Å; L751-V756 HydrophobicContact CD2-CG2 3.68Å; L751-P1080 HydrophobicContact CD1-CG 3.78Å; L751-P1080 HydrophobicContact CD2-CB 3.86Å; L751-P1080 HydrophobicContact CD2-CG 3.6Å; L751-P1080 HydrophobicContact CG-CG 4.3Å; L751-A1083 HydrophobicContact CD2-CB 4.17Å; L751-F1084 HydrophobicContact CD1-CE2 4.29Å; L751-F1084 HydrophobicContact CD2-CE2 3.88Å; L751-F1084 HydrophobicContact CD2-CZ 3.87Å; L751-F1084 HydrophobicContact CG-CE2 3.99Å; L751-F1084 HydrophobicContact CG-CZ 4.11Å
752	L	81.9	Confident	86.8	Confident	119 Å²	119	35.4 Å²	35.4	62%	0.623	16%	0.163	S	C	*	.	H	α-helix	trans	-58.3	-33.5	-177.9	-177.9	62.5	0	0	0	112.7	K748	K748-L752 WeakPolarHBondContact O-CB 3.49Å; K748-L752 PolarHBondContact O-N 2.88Å
753	R	80.9	Confident	86.5	Confident	146 Å²	146	36.4 Å²	36.4	55%	0.551	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	4.3	178.5	-61.7	170.3	-179.9	-99.7	7.7	113.6	F725 D749 L751 Q755	F725-R753 HydrophobicContact CE1-CB 4.08Å; F725-R753 VanDerWaalsContact CE1-CD 3.41Å; F725-R753 HydrophobicContact CE1-CG 4.38Å; D749-R753 VanDerWaalsContact O-CB 3.3Å; D749-R753 WeakPolarHBondContact O-CB 3.45Å; D749-R753 WeakPolarHBondContact O-CG 3.42Å; D749-R753 PolarHBondContact O-N 3.48Å; L751-R753 PolarHBondContact O-N 3.5Å; R753-Q755 VanDerWaalsContact C-N 3.3Å; R753-Q755 HydrophobicContact CB-CG 4Å; R753-Q755 PolarHBondContact O-N 3.2Å
754	N	81.6	Confident	86.1	Confident	73 Å²	73	35.2 Å²	35.2	39%	0.39	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	26.3	-178.3	-61.5	-79.4	0	0	0	115.7	V750 L751 V756	V750-N754 PolarHBondContact O-N 2.84Å; L751-N754 PolarHBondContact O-N 2.85Å; N754-V756 VanDerWaalsContact C-N 3.34Å; N754-V756 PolarHBondContact O-N 3.45Å
755	Q	84.2	Confident	85.7	Confident	47 Å²	47	34.2 Å²	34.2	22%	0.22	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	13.9	-170.3	-68.9	-71.2	92.4	0	0	115	F725 V750 R753 A757 H758 V759	F725-Q755 HydrophobicContact CE1-CB 4.17Å; F725-Q755 HydrophobicContact CE1-CG 3.63Å; F725-Q755 HydrophobicContact CZ-CB 4.38Å; F725-Q755 HydrophobicContact CZ-CG 3.68Å; V750-Q755 HydrophobicContact CG1-CB 4.26Å; V750-Q755 PolarHBondContact O-N 3.42Å; R753-Q755 VanDerWaalsContact C-N 3.3Å; R753-Q755 HydrophobicContact CB-CG 4Å; R753-Q755 PolarHBondContact O-N 3.2Å; Q755-A757 VanDerWaalsContact C-N 3.33Å; Q755-A757 PolarHBondContact O-N 2.78Å; Q755-H758 VanDerWaalsContact CD-ND1 3.3Å; Q755-H758 PolarHBondContact NE2-ND1 2.88Å; Q755-H758 WeakPolarHBondContact O-CB 3.35Å; Q755-H758 PolarHBondContact O-N 3.03Å; Q755-H758 PolarHBondContact OE1-CE1 2.92Å; Q755-H758 PolarHBondContact OE1-ND1 3.06Å; Q755-V759 PolarHBondContact O-N 2.86Å; Q755-V759 VanDerWaalsContact O-N 3.08Å
756	V	84.3	Confident	85.6	Confident	5 Å²	5	34 Å²	34	3%	0.03	15%	0.153	C	C	.	.	H	α-helix	trans	-57.3	-43.4	-177.2	178.4	0	0	0	0	112.6	V750 L751 N754 H758 V759 K760 Y871 A1083 F1084	V750-V756 HydrophobicContact CG1-CG2 4.42Å; L751-V756 HydrophobicContact CD2-CG2 3.68Å; N754-V756 VanDerWaalsContact C-N 3.34Å; N754-V756 PolarHBondContact O-N 3.45Å; V756-H758 VanDerWaalsContact C-N 3.34Å; V756-H758 PolarHBondContact O-N 3.22Å; V756-V759 PolarHBondContact O-N 3.34Å; V756-K760 PolarHBondContact O-N 3.39Å; V756-Y871 HydrophobicContact CB-CD1 4.05Å; V756-Y871 HydrophobicContact CB-CD2 4.1Å; V756-Y871 HydrophobicContact CB-CE1 4.4Å; V756-Y871 HydrophobicContact CB-CE2 4.45Å; V756-Y871 HydrophobicContact CB-CG 3.89Å; V756-Y871 HydrophobicContact CG1-CD1 3.53Å; V756-Y871 HydrophobicContact CG1-CD2 4.12Å; V756-Y871 HydrophobicContact CG1-CE1 3.47Å; V756-Y871 VanDerWaalsContact CG1-CE1 3.47Å; V756-Y871 HydrophobicContact CG1-CE2 4.07Å; V756-Y871 HydrophobicContact CG1-CG 3.86Å; V756-A1083 HydrophobicContact CB-CB 4.37Å; V756-A1083 HydrophobicContact CG1-CB 3.52Å; V756-A1083 WeakPolarHBondContact CG1-O 3.05Å; V756-A1083 HydrophobicContact CG2-CB 3.87Å; V756-F1084 HydrophobicContact CG1-CE1 4.27Å; V756-F1084 HydrophobicContact CG2-CE1 4.22Å; V756-F1084 HydrophobicContact CG2-CZ 4.1Å
757	A	81.6	Confident	85.3	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.2	-43.8	179.1	0	0	0	0	0	112.1	Q755 K760 A761 Y871	Q755-A757 VanDerWaalsContact C-N 3.33Å; Q755-A757 PolarHBondContact O-N 2.78Å; A757-K760 PolarHBondContact O-N 3.36Å; A757-A761 WeakPolarHBondContact O-CB 3.29Å; A757-A761 PolarHBondContact O-N 2.59Å; A757-Y871 HydrophobicContact CB-CD2 3.86Å; A757-Y871 HydrophobicContact CB-CE2 3.77Å
758	H	83.1	Confident	85	Confident	17 Å²	17	34.4 Å²	34.4	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-64.7	-43.7	178.9	-65.8	130	0	0	0	111.8	Q755 V756 K760 A761 E762 G857	Q755-H758 VanDerWaalsContact CD-ND1 3.3Å; Q755-H758 PolarHBondContact NE2-ND1 2.88Å; Q755-H758 WeakPolarHBondContact O-CB 3.35Å; Q755-H758 PolarHBondContact O-N 3.03Å; Q755-H758 PolarHBondContact OE1-CE1 2.92Å; Q755-H758 PolarHBondContact OE1-ND1 3.06Å; V756-H758 VanDerWaalsContact C-N 3.34Å; V756-H758 PolarHBondContact O-N 3.22Å; H758-K760 VanDerWaalsContact C-N 3.34Å; H758-K760 PolarHBondContact O-N 3.2Å; H758-A761 PolarHBondContact O-N 3.06Å; H758-E762 PolarHBondContact O-N 2.74Å; H758-G857 WeakPolarHBondContact CA-O 3.17Å; H758-G857 WeakPolarHBondContact CB-O 3.23Å; H758-G857 PolarHBondContact CD2-O 2.98Å
759	V	88.7	Confident	84.9	Confident	7 Å²	7	31 Å²	31	4%	0.042	15%	0.15	C	C	.	.	H	α-helix	trans	-67.3	-31.4	176.1	176.3	0	0	0	0	112.6	L745 V750 Q755 V756 R763 L787 F789 F1087	L745-V759 HydrophobicContact CD2-CG2 3.8Å; V750-V759 HydrophobicContact CG1-CB 4.44Å; V750-V759 HydrophobicContact CG1-CG2 3.79Å; V750-V759 HydrophobicContact CG2-CG2 4.2Å; Q755-V759 PolarHBondContact O-N 2.86Å; Q755-V759 VanDerWaalsContact O-N 3.08Å; V756-V759 PolarHBondContact O-N 3.34Å; V759-R763 PolarHBondContact O-N 2.98Å; V759-L787 HydrophobicContact CG1-CD1 3.78Å; V759-F789 HydrophobicContact CG1-CE2 4.28Å; V759-F789 HydrophobicContact CG1-CZ 4.09Å; V759-F1087 HydrophobicContact CG1-CD2 4.17Å; V759-F1087 HydrophobicContact CG1-CE2 3.69Å
760	K	84.6	Confident	84.5	Confident	11 Å²	11	33.2 Å²	33.2	5%	0.048	16%	0.162	C	C	.	.	H	α-helix	trans	-72.4	-40.6	169.5	-73.2	-156.5	-164.5	169	0	112.7	V756 A757 H758 E762 R763 D764 H866 Y871 H1082 A1083	V756-K760 PolarHBondContact O-N 3.39Å; A757-K760 PolarHBondContact O-N 3.36Å; H758-K760 VanDerWaalsContact C-N 3.34Å; H758-K760 PolarHBondContact O-N 3.2Å; K760-E762 VanDerWaalsContact C-N 3.33Å; K760-E762 PolarHBondContact O-N 2.94Å; K760-R763 PolarHBondContact O-N 3.41Å; K760-D764 VanDerWaalsContact O-CB 3.24Å; K760-D764 WeakPolarHBondContact O-CB 3.35Å; K760-D764 PolarHBondContact O-N 3Å; K760-D764 VanDerWaalsContact O-OD1 3.08Å; K760-H866 PolarHBondContact O-NE2 3.41Å; K760-Y871 VanDerWaalsContact CD-OH 3.27Å; K760-Y871 WeakPolarHBondContact CD-OH 3.38Å; K760-Y871 WeakPolarHBondContact CE-OH 3.45Å; K760-Y871 PolarHBondContact NZ-OH 3.21Å; K760-H1082 PolarHBondContact NZ-O 2.97Å; K760-A1083 WeakPolarHBondContact CE-O 3.15Å
761	A	83.6	Confident	84.4	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.2	-47.7	176.5	0	0	0	0	0	110.8	A757 H758 R763 D764 I765 H866	A757-A761 WeakPolarHBondContact O-CB 3.29Å; A757-A761 PolarHBondContact O-N 2.59Å; H758-A761 PolarHBondContact O-N 3.06Å; A761-R763 PolarHBondContact O-N 3.3Å; A761-D764 PolarHBondContact O-N 2.71Å; A761-I765 WeakPolarHBondContact O-CB 3.45Å; A761-I765 WeakPolarHBondContact O-CD1 3.26Å; A761-I765 VanDerWaalsContact O-CG1 3.29Å; A761-I765 WeakPolarHBondContact O-CG1 3.28Å; A761-I765 PolarHBondContact O-N 3.09Å; A761-H866 HydrophobicContact CB-CB 4.26Å
762	E	90.1	Very high	84.6	Confident	5 Å²	5	36 Å²	36	2%	0.023	18%	0.175	C	C	.	.	H	α-helix	trans	-56.6	-51.8	175.4	-176.7	175	-170.6	0	0	112.1	K743 H758 K760 D764 L766 F789 F856	K743-E762 WeakPolarHBondContact CD-OE1 3.42Å; K743-E762 IonicContact NZ-OE1 3.72Å; K743-E762 PolarHBondContact NZ-OE1 2.99Å; K743-E762 IonicContact NZ-OE2 3.13Å; K743-E762 PolarHBondContact NZ-OE2 3.1Å; H758-E762 PolarHBondContact O-N 2.74Å; K760-E762 VanDerWaalsContact C-N 3.33Å; K760-E762 PolarHBondContact O-N 2.94Å; E762-D764 PolarHBondContact O-N 2.76Å; E762-L766 HydrophobicContact CG-CD1 3.65Å; E762-L766 HydrophobicContact CG-CG 4.42Å; E762-L766 VanDerWaalsContact O-CB 3.31Å; E762-L766 WeakPolarHBondContact O-CB 3.48Å; E762-L766 WeakPolarHBondContact O-CG 3.45Å; E762-L766 PolarHBondContact O-N 2.85Å; E762-F789 HydrophobicContact CB-CE1 4.34Å; E762-F789 HydrophobicContact CB-CZ 4.22Å; E762-F789 HydrophobicContact CG-CE1 3.88Å; E762-F789 HydrophobicContact CG-CZ 3.99Å; E762-F856 HydrophobicContact CB-CB 4.44Å; E762-F856 HydrophobicContact CG-CB 4.34Å; E762-F856 PolarHBondContact N-O 3.03Å
763	R	89.5	Confident	85.1	Confident	33 Å²	33	32.1 Å²	32.1	13%	0.125	15%	0.152	C	C	.	.	H	α-helix	trans	-60.2	-46.7	179.6	-171.5	-147.1	70.7	126.6	-3.2	112.2	V759 K760 A761 A767 F789 E1086 F1087	V759-R763 PolarHBondContact O-N 2.98Å; K760-R763 PolarHBondContact O-N 3.41Å; A761-R763 PolarHBondContact O-N 3.3Å; R763-A767 WeakPolarHBondContact O-CB 3.39Å; R763-A767 PolarHBondContact O-N 3.09Å; R763-F789 HydrophobicContact CB-CE1 3.8Å; R763-F789 HydrophobicContact CB-CZ 4.34Å; R763-F789 HydrophobicContact CG-CE1 4.37Å; R763-E1086 PolarHBondContact NH1-O 3.06Å; R763-F1087 HydrophobicContact CB-CE2 4.35Å; R763-F1087 WeakPolarHBondContact CD-O 3.49Å; R763-F1087 HydrophobicContact CG-CE2 4.46Å
764	D	84.8	Confident	85.7	Confident	7 Å²	7	25.3 Å²	25.3	4%	0.037	13%	0.127	C	C	.	.	H	α-helix	trans	-66.4	-43.4	-173	-70.8	11.4	0	0	0	110.9	K760 A761 E762 A767 E768 R863 H866	K760-D764 VanDerWaalsContact O-CB 3.24Å; K760-D764 WeakPolarHBondContact O-CB 3.35Å; K760-D764 PolarHBondContact O-N 3Å; K760-D764 VanDerWaalsContact O-OD1 3.08Å; A761-D764 PolarHBondContact O-N 2.71Å; E762-D764 PolarHBondContact O-N 2.76Å; D764-A767 PolarHBondContact O-N 3.21Å; D764-E768 WeakPolarHBondContact O-CB 3.07Å; D764-E768 PolarHBondContact O-N 3.04Å; D764-R863 IonicContact OD2-CZ 3.56Å; D764-R863 VanDerWaalsContact OD2-CZ 3.28Å; D764-R863 IonicContact OD2-NH1 2.77Å; D764-R863 PolarHBondContact OD2-NH1 2.88Å; D764-R863 IonicContact OD2-NH2 3.4Å; D764-R863 PolarHBondContact OD2-NH2 2.59Å; D764-R863 VanDerWaalsContact OD2-NH2 3.15Å; D764-H866 WeakPolarHBondContact CB-NE2 3.32Å; D764-H866 IonicContact OD1-NE2 3.66Å; D764-H866 IonicContact OD2-CD2 2.81Å; D764-H866 IonicContact OD2-CE1 3.93Å; D764-H866 IonicContact OD2-NE2 2.66Å; D764-H866 PolarHBondContact OD2-NE2 3.36Å
765	I	86.5	Confident	86.2	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-66.1	-50.1	177.2	-66	166.6	0	0	0	110.5	A761 A767 E768 A769 F833 F856 C859	A761-I765 WeakPolarHBondContact O-CB 3.45Å; A761-I765 WeakPolarHBondContact O-CD1 3.26Å; A761-I765 VanDerWaalsContact O-CG1 3.29Å; A761-I765 WeakPolarHBondContact O-CG1 3.28Å; A761-I765 PolarHBondContact O-N 3.09Å; I765-A767 PolarHBondContact O-N 2.56Å; I765-E768 PolarHBondContact O-N 3.15Å; I765-A769 WeakPolarHBondContact O-CB 3.38Å; I765-A769 PolarHBondContact O-N 3.29Å; I765-F833 HydrophobicContact CD1-CB 4.12Å; I765-F833 HydrophobicContact CD1-CD1 3.66Å; I765-F833 HydrophobicContact CD1-CE1 4.21Å; I765-F833 HydrophobicContact CD1-CG 3.86Å; I765-F833 HydrophobicContact CG1-CB 4.35Å; I765-F833 HydrophobicContact CG1-CD1 3.42Å; I765-F833 VanDerWaalsContact CG1-CD1 3.42Å; I765-F833 HydrophobicContact CG1-CD2 3.86Å; I765-F833 HydrophobicContact CG1-CE1 3.53Å; I765-F833 HydrophobicContact CG1-CE2 3.95Å; I765-F833 HydrophobicContact CG1-CG 3.61Å; I765-F833 HydrophobicContact CG1-CZ 3.8Å; I765-F833 HydrophobicContact CG2-CD2 4.35Å; I765-F856 HydrophobicContact CB-CB 4.33Å; I765-F856 HydrophobicContact CB-CD1 4.43Å; I765-F856 HydrophobicContact CB-CG 4.44Å; I765-F856 HydrophobicContact CD1-CB 4.22Å; I765-F856 HydrophobicContact CD1-CD1 4.37Å; I765-F856 HydrophobicContact CG2-CB 4.35Å; I765-F856 HydrophobicContact CG2-CD1 3.59Å; I765-F856 HydrophobicContact CG2-CE1 4.05Å; I765-F856 HydrophobicContact CG2-CG 3.93Å; I765-C859 HydrophobicContact CD1-CB 3.22Å
766	L	88.8	Confident	86.5	Confident	1 Å²	1	21.4 Å²	21.4	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-66.4	-21.9	-179.5	-67.8	175	0	0	0	113.4	E762 V774 V775 L777 F789 M791 F856 R1091	E762-L766 HydrophobicContact CG-CD1 3.65Å; E762-L766 HydrophobicContact CG-CG 4.42Å; E762-L766 VanDerWaalsContact O-CB 3.31Å; E762-L766 WeakPolarHBondContact O-CB 3.48Å; E762-L766 WeakPolarHBondContact O-CG 3.45Å; E762-L766 PolarHBondContact O-N 2.85Å; L766-V774 HydrophobicContact CD2-CG1 3.85Å; L766-V775 VanDerWaalsContact CD2-O 3.31Å; L766-V775 WeakPolarHBondContact CD2-O 3.33Å; L766-L777 HydrophobicContact CB-CB 3.73Å; L766-L777 HydrophobicContact CB-CD2 3.98Å; L766-L777 HydrophobicContact CB-CG 4.44Å; L766-L777 WeakPolarHBondContact O-CB 3.44Å; L766-F789 HydrophobicContact CD1-CD1 4.4Å; L766-M791 HydrophobicContact CD1-CE 3.93Å; L766-F856 HydrophobicContact CD2-CD2 3.48Å; L766-F856 VanDerWaalsContact CD2-CD2 3.48Å; L766-F856 HydrophobicContact CD2-CE2 3.65Å; L766-F856 HydrophobicContact CD2-CG 4.49Å; L766-F856 HydrophobicContact CG-CD2 3.95Å; L766-R1091 PolarHBondContact O-NH2 3.46Å
767	A	85.9	Confident	86.9	Confident	23 Å²	23	21.1 Å²	21.1	19%	0.19	10%	0.103	C	C	.	.	H	α-helix	trans	-84	-30.8	174.4	0	0	0	0	0	113.6	R763 D764 I765 L777 F1089	R763-A767 WeakPolarHBondContact O-CB 3.39Å; R763-A767 PolarHBondContact O-N 3.09Å; D764-A767 PolarHBondContact O-N 3.21Å; I765-A767 PolarHBondContact O-N 2.56Å; A767-L777 HydrophobicContact CB-CD2 4.46Å; A767-F1089 HydrophobicContact CB-CD1 3.91Å; A767-F1089 HydrophobicContact CB-CD2 3.75Å; A767-F1089 HydrophobicContact CB-CE1 3.83Å; A767-F1089 HydrophobicContact CB-CE2 3.67Å; A767-F1089 HydrophobicContact CB-CG 3.86Å; A767-F1089 HydrophobicContact CB-CZ 3.7Å
768	E	82.6	Confident	87.2	Confident	104 Å²	104	21.5 Å²	21.5	49%	0.486	10%	0.104	S	C	.	.	H	α-helix	trans	-91.6	-23	179.4	-169	147.4	-132.3	0	0	112.7	D764 I765 D770	D764-E768 WeakPolarHBondContact O-CB 3.07Å; D764-E768 PolarHBondContact O-N 3.04Å; I765-E768 PolarHBondContact O-N 3.15Å; E768-D770 PolarHBondContact O-N 2.85Å
769	A	83.4	Confident	87.6	Confident	5 Å²	5	21.4 Å²	21.4	4%	0.041	10%	0.103	C	C	.	.			trans	-64.9	116.3	175.6	0	0	0	0	0	112	I765 V774 M831 R1091	I765-A769 WeakPolarHBondContact O-CB 3.38Å; I765-A769 PolarHBondContact O-N 3.29Å; A769-V774 HydrophobicContact CB-CB 3.97Å; A769-V774 HydrophobicContact CB-CG1 3.68Å; A769-V774 HydrophobicContact CB-CG2 4.34Å; A769-M831 HydrophobicContact CB-CE 4.06Å; A769-M831 HydrophobicContact CB-SD 4.06Å; A769-R1091 VanDerWaalsContact O-CZ 3.28Å; A769-R1091 PolarHBondContact O-NH1 2.99Å; A769-R1091 PolarHBondContact O-NH2 3.24Å
770	D	78.4	Confident	87.8	Confident	63 Å²	63	21 Å²	21	34%	0.337	10%	0.101	S	C	.	.			trans	-129.1	56	180	-156.8	41	0	0	0	109.4	T24 E768 R1091	T24-D770 PolarHBondContact OG1-OD2 3.14Å; E768-D770 PolarHBondContact O-N 2.85Å; D770-R1091 IonicContact OD1-NH1 3.81Å; D770-R1091 PolarHBondContact OD1-NH1 2.94Å; D770-R1091 VanDerWaalsContact OD1-NH1 3.14Å
771	N	82.9	Confident	88.1	Confident	29 Å²	29	20.8 Å²	20.8	16%	0.155	10%	0.1	C	C	.	.	S	Bend	trans	-141.7	171.1	-177.2	68.1	67.3	0	0	0	110.2	W773 V774 S827 M831	N771-W773 WeakPolarHBondContact OD1-CA 3.43Å; N771-W773 WeakPolarHBondContact OD1-CB 3.05Å; N771-W773 PolarHBondContact OD1-N 3.34Å; N771-V774 PolarHBondContact OD1-N 2.73Å; N771-S827 PolarHBondContact ND2-OG 2.83Å; N771-M831 WeakPolarHBondContact ND2-CE 3.22Å
772	E	89	Confident	88.5	Confident	62 Å²	62	23.5 Å²	23.5	29%	0.29	11%	0.113	S	C	.	.	S	Bend	trans	-90.1	-9.1	-178.1	-61.1	-172.2	109.1	0	0	114.4	K852	E772-K852 PolarHBondContact O-NZ 2.9Å
773	W	92.4	Very high	88.4	Confident	37 Å²	37	25.6 Å²	25.6	14%	0.14	12%	0.124	C	C	.	.	S	Bend	trans	-85.7	-15.3	-176.9	-58.6	114.4	0	0	0	114	N771 E820 C823 A824 I851 K852 L853 R1029	N771-W773 WeakPolarHBondContact OD1-CA 3.43Å; N771-W773 WeakPolarHBondContact OD1-CB 3.05Å; N771-W773 PolarHBondContact OD1-N 3.34Å; W773-E820 HydrophobicContact CH2-CB 4.31Å; W773-E820 HydrophobicContact CH2-CG 4.25Å; W773-E820 HydrophobicContact CZ3-CB 3.83Å; W773-E820 HydrophobicContact CZ3-CG 4.03Å; W773-C823 HydrophobicContact CD2-CB 4.46Å; W773-C823 HydrophobicContact CH2-CB 4.03Å; W773-C823 HydrophobicContact CZ2-CB 3.58Å; W773-A824 HydrophobicContact CB-CB 3.76Å; W773-A824 HydrophobicContact CD2-CB 4.18Å; W773-A824 HydrophobicContact CE3-CB 4.07Å; W773-A824 HydrophobicContact CG-CB 4.1Å; W773-I851 HydrophobicContact CE3-CG1 4.5Å; W773-K852 CarbonylContact O-C 3.57Å; W773-K852 WeakPolarHBondContact O-CA 3.36Å; W773-L853 PolarHBondContact O-N 2.74Å; W773-R1029 HydrophobicContact CH2-CG 3.41Å; W773-R1029 VanDerWaalsContact CH2-CG 3.41Å; W773-R1029 HydrophobicContact CZ2-CG 3.87Å; W773-R1029 HydrophobicContact CZ3-CG 3.78Å
774	V	93.3	Very high	88.2	Confident	3 Å²	3	32 Å²	32	2%	0.018	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-112.7	140	-179.4	174.7	0	0	0	0	109.3	L766 A769 N771 R776 V828 M831 F856	L766-V774 HydrophobicContact CD2-CG1 3.85Å; A769-V774 HydrophobicContact CB-CB 3.97Å; A769-V774 HydrophobicContact CB-CG1 3.68Å; A769-V774 HydrophobicContact CB-CG2 4.34Å; N771-V774 PolarHBondContact OD1-N 2.73Å; V774-R776 PolarHBondContact O-N 3.1Å; V774-V828 HydrophobicContact CG2-CG2 4.1Å; V774-M831 HydrophobicContact CG2-CE 4.32Å; V774-F856 HydrophobicContact CB-CZ 4.29Å; V774-F856 HydrophobicContact CG1-CE2 3.66Å; V774-F856 HydrophobicContact CG1-CZ 3.62Å; V774-F856 HydrophobicContact CG2-CE1 4.48Å; V774-F856 HydrophobicContact CG2-CZ 3.9Å
775	V	92.7	Very high	88.4	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.012	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-56.8	125.7	172.2	165.6	0	0	0	0	110.5	L766 L777 M791 D792 I794 L844 K852 L853	L766-V775 VanDerWaalsContact CD2-O 3.31Å; L766-V775 WeakPolarHBondContact CD2-O 3.33Å; V775-L777 PolarHBondContact O-N 2.79Å; V775-M791 HydrophobicContact CG1-CB 3.77Å; V775-M791 HydrophobicContact CG1-CG 4.15Å; V775-M791 HydrophobicContact CG1-SD 3.86Å; V775-D792 HydrophobicContact CG1-CB 4.36Å; V775-I794 HydrophobicContact CG2-CG1 4.3Å; V775-L844 HydrophobicContact CG2-CD1 3.99Å; V775-K852 HydrophobicContact CG2-CB 4.03Å; V775-L853 WeakPolarHBondContact CG2-O 3.37Å; V775-L853 PolarHBondContact N-O 2.84Å; V775-L853 VanDerWaalsContact N-O 3.12Å
776	R	90.4	Very high	88.6	Confident	35 Å²	35	37 Å²	37	13%	0.132	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-78.8	120.1	-175.6	-166.2	173.4	-65.5	-169.3	5.8	111.1	V774 Y778 M791 D792 D1094	V774-R776 PolarHBondContact O-N 3.1Å; R776-Y778 HydrophobicContact CB-CE2 4.24Å; R776-Y778 HydrophobicContact CG-CE1 4.48Å; R776-Y778 HydrophobicContact CG-CE2 4.43Å; R776-M791 CarbonylContact O-C 3.55Å; R776-M791 WeakPolarHBondContact O-CA 3.31Å; R776-M791 WeakPolarHBondContact O-CB 3.38Å; R776-D792 WeakPolarHBondContact CB-OD2 3.15Å; R776-D792 PolarHBondContact N-OD2 3.34Å; R776-D792 PolarHBondContact O-N 3.03Å; R776-D1094 WeakPolarHBondContact CD-OD2 3.45Å; R776-D1094 IonicContact CZ-OD2 3.96Å; R776-D1094 IonicContact NH1-OD1 3.3Å; R776-D1094 PolarHBondContact NH1-OD1 3.09Å; R776-D1094 IonicContact NH1-OD2 2.74Å; R776-D1094 PolarHBondContact NH1-OD2 2.99Å
777	L	92.3	Very high	88.8	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	120.2	166.1	-179.8	72.9	0	0	0	109.9	L766 A767 V775 Y779 F789 F1089 R1091	L766-L777 HydrophobicContact CB-CB 3.73Å; L766-L777 HydrophobicContact CB-CD2 3.98Å; L766-L777 HydrophobicContact CB-CG 4.44Å; L766-L777 WeakPolarHBondContact O-CB 3.44Å; A767-L777 HydrophobicContact CB-CD2 4.46Å; V775-L777 PolarHBondContact O-N 2.79Å; L777-Y779 WeakPolarHBondContact CD1-O 3.25Å; L777-F789 HydrophobicContact CD1-CB 3.78Å; L777-F789 HydrophobicContact CD1-CD1 3.86Å; L777-F789 HydrophobicContact CD1-CG 4.32Å; L777-F789 HydrophobicContact CD2-CD1 4.35Å; L777-F1089 HydrophobicContact CD2-CD1 3.65Å; L777-F1089 HydrophobicContact CD2-CE1 4.06Å; L777-F1089 HydrophobicContact CG-CD1 4.05Å; L777-F1089 HydrophobicContact CG-CE1 4.21Å; L777-R1091 WeakPolarHBondContact O-CB 3.33Å; L777-R1091 PolarHBondContact O-NE 3.23Å
778	Y	89.3	Confident	89.2	Confident	8 Å²	8	36 Å²	36	3%	0.031	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-44	173.5	-63.7	-88.4	0	0	0	111.2	Y740 R776 V790 D792 R1090 R1091 P1099	Y740-Y778 AromaticContact CD1-CD2 3.66Å; Y740-Y778 HydrophobicContact CD1-CD2 3.66Å; Y740-Y778 HydrophobicContact CD1-CE2 4.02Å; Y740-Y778 HydrophobicContact CD1-CG 4.27Å; Y740-Y778 HydrophobicContact CE1-CD1 4.19Å; Y740-Y778 AromaticContact CE1-CD2 3.47Å; Y740-Y778 HydrophobicContact CE1-CD2 3.47Å; Y740-Y778 VanDerWaalsContact CE1-CD2 3.47Å; Y740-Y778 HydrophobicContact CE1-CE1 4.46Å; Y740-Y778 AromaticContact CE1-CE2 3.79Å; Y740-Y778 HydrophobicContact CE1-CE2 3.79Å; Y740-Y778 AromaticContact CE1-CG 3.7Å; Y740-Y778 HydrophobicContact CE1-CG 3.7Å; R776-Y778 HydrophobicContact CB-CE2 4.24Å; R776-Y778 HydrophobicContact CG-CE1 4.48Å; R776-Y778 HydrophobicContact CG-CE2 4.43Å; Y778-V790 PolarHBondContact N-O 2.98Å; Y778-D792 WeakPolarHBondContact CE2-OD1 3.45Å; Y778-D792 VanDerWaalsContact CZ-OD1 3.27Å; Y778-D792 PolarHBondContact OH-OD1 3.04Å; Y778-R1090 CarbonylContact O-C 3.49Å; Y778-R1091 PolarHBondContact O-N 3.46Å; Y778-P1099 WeakPolarHBondContact OH-CA 3.35Å
779	Y	90.3	Very high	89.8	Confident	14 Å²	14	31 Å²	31	6%	0.055	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	143.1	-175.8	-42.1	-64.2	0	0	0	110.2	M709 F714 K733 L777 V790 R1090	M709-Y779 HydrophobicContact CE-CD1 3.67Å; M709-Y779 HydrophobicContact CE-CD2 3.68Å; M709-Y779 HydrophobicContact CE-CE1 4.22Å; M709-Y779 HydrophobicContact CE-CE2 4.18Å; M709-Y779 HydrophobicContact CE-CG 3.39Å; M709-Y779 HydrophobicContact SD-CD1 3.44Å; M709-Y779 WeakPolarHBondContact SD-CD1 3.22Å; M709-Y779 HydrophobicContact SD-CE1 4.19Å; M709-Y779 HydrophobicContact SD-CG 3.67Å; F714-Y779 HydrophobicContact CE1-CD2 4.24Å; F714-Y779 HydrophobicContact CE1-CE2 4.38Å; F714-Y779 AromaticContact CZ-CD2 3.67Å; F714-Y779 HydrophobicContact CZ-CD2 3.67Å; F714-Y779 HydrophobicContact CZ-CE2 4.03Å; K733-Y779 HydrophobicContact CD-CE2 3.87Å; L777-Y779 WeakPolarHBondContact CD1-O 3.25Å; Y779-V790 HydrophobicContact CD2-CB 3.9Å; Y779-V790 HydrophobicContact CD2-CG1 3.89Å; Y779-V790 HydrophobicContact CD2-CG2 4.44Å; Y779-V790 HydrophobicContact CG-CB 4.48Å; Y779-V790 PolarHBondContact N-O 3.34Å; Y779-V790 VanDerWaalsContact N-O 3.14Å; Y779-V790 PolarHBondContact O-N 3.3Å; Y779-R1090 HydrophobicContact CD1-CB 4.41Å; Y779-R1090 HydrophobicContact CD1-CG 3.84Å; Y779-R1090 HydrophobicContact CE1-CG 4.02Å
780	S	92.4	Very high	90.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	142.6	154.3	63.6	0	0	0	0	109.6	Y788 F1087 T1088 F1089	S780-Y788 CarbonylContact C-O 3.54Å; S780-Y788 WeakPolarHBondContact CA-O 3.44Å; S780-Y788 VanDerWaalsContact CB-O 3.27Å; S780-Y788 WeakPolarHBondContact CB-O 3.44Å; S780-F1087 PolarHBondContact OG-O 3.19Å; S780-T1088 CarbonylContact O-C 3.58Å; S780-T1088 VanDerWaalsContact O-CA 3.23Å; S780-T1088 WeakPolarHBondContact O-CA 3.3Å; S780-F1089 PolarHBondContact N-O 2.99Å; S780-F1089 PolarHBondContact O-N 2.99Å; S780-F1089 WeakPolarHBondContact OG-CB 3.26Å; S780-F1089 PolarHBondContact OG-N 3.49Å
781	F	91.8	Very high	91.1	Very high	6 Å²	6	28.2 Å²	28.2	3%	0.026	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	173.2	-178.2	62.8	-87.4	0	0	0	110.2	M709 F714 Y788 V790 F1087 T1088	M709-F781 HydrophobicContact CB-CB 4.13Å; M709-F781 HydrophobicContact CB-CD1 4.07Å; M709-F781 HydrophobicContact CB-CG 4.04Å; F714-F781 HydrophobicContact CD2-CE1 4.17Å; F714-F781 HydrophobicContact CD2-CZ 4.03Å; F714-F781 AromaticContact CE2-CE1 3.74Å; F714-F781 HydrophobicContact CE2-CE1 3.74Å; F714-F781 HydrophobicContact CE2-CZ 4.04Å; F781-Y788 AromaticContact CD2-CD2 3.62Å; F781-Y788 HydrophobicContact CD2-CD2 3.62Å; F781-Y788 HydrophobicContact CD2-CE2 4.42Å; F781-Y788 HydrophobicContact CD2-CG 4.17Å; F781-Y788 HydrophobicContact CE1-CG 4.41Å; F781-Y788 AromaticContact CE2-CD2 3.32Å; F781-Y788 HydrophobicContact CE2-CD2 3.32Å; F781-Y788 AromaticContact CE2-CE2 3.97Å; F781-Y788 HydrophobicContact CE2-CE2 3.97Å; F781-Y788 AromaticContact CE2-CG 3.66Å; F781-Y788 HydrophobicContact CE2-CG 3.66Å; F781-Y788 HydrophobicContact CG-CD2 4.45Å; F781-Y788 HydrophobicContact CZ-CD1 4.45Å; F781-Y788 AromaticContact CZ-CD2 3.97Å; F781-Y788 HydrophobicContact CZ-CD2 3.97Å; F781-Y788 AromaticContact CZ-CG 3.79Å; F781-Y788 HydrophobicContact CZ-CG 3.79Å; F781-Y788 PolarHBondContact N-O 2.75Å; F781-Y788 PolarHBondContact O-N 3.36Å; F781-V790 HydrophobicContact CE1-CG2 3.83Å; F781-F1087 VanDerWaalsContact O-CE1 3.26Å; F781-F1087 WeakPolarHBondContact O-CE1 3.46Å; F781-T1088 HydrophobicContact CB-CG2 4.41Å
782	Q	91.3	Very high	91.5	Very high	57 Å²	57	27.5 Å²	27.5	27%	0.266	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	144.3	-176.5	62.1	-175.6	-57.3	0	0	110.5	N786 L787 F1084 F1087	Q782-N786 WeakPolarHBondContact CA-O 3.46Å; Q782-N786 WeakPolarHBondContact CB-O 3.44Å; Q782-L787 HydrophobicContact CB-CD2 3.78Å; Q782-F1084 PolarHBondContact NE2-O 3.4Å; Q782-F1087 HydrophobicContact CB-CD1 4.3Å
783	D	88.9	Confident	91.8	Very high	48 Å²	48	25.7 Å²	25.7	26%	0.257	12%	0.118	S	C	.	.			trans	-98.2	-155.5	166.1	65.6	35	0	0	0	109.3	K747 D785 N786 Y788	K747-D783 PolarHBondContact NZ-O 3.41Å; D783-D785 PolarHBondContact OD1-N 3.04Å; D783-N786 PolarHBondContact N-O 3.14Å; D783-N786 PolarHBondContact OD1-N 3.11Å; D783-N786 PolarHBondContact OD1-ND2 3.49Å; D783-N786 PolarHBondContact OD2-ND2 3.12Å; D783-Y788 HydrophobicContact CB-CE2 4.3Å; D783-Y788 WeakPolarHBondContact OD2-CE2 3.34Å; D783-Y788 PolarHBondContact OD2-OH 2.83Å
784	K	85.9	Confident	91.9	Very high	168 Å²	168	24.4 Å²	24.4	73%	0.73	11%	0.114	S	C	*	.	S	Bend	trans	-64.6	-43	175.2	178.5	-179.8	155.4	-80.8	0	112.2	K747	K747-K784 WeakPolarHBondContact CD-O 3.27Å; K747-K784 PolarHBondContact NZ-O 2.83Å
785	D	87.4	Confident	92	Very high	80 Å²	80	25.1 Å²	25.1	43%	0.428	12%	0.119	S	C	.	.	S	Bend	trans	-116.9	-17	-159.8	-57.7	-61.1	0	0	0	113.2	K747 D783	K747-D785 VanDerWaalsContact CB-O 3.28Å; K747-D785 WeakPolarHBondContact CB-O 3.44Å; K747-D785 WeakPolarHBondContact CG-O 3.35Å; K747-D785 PolarHBondContact N-O 2.92Å; D783-D785 PolarHBondContact OD1-N 3.04Å
786	N	91.5	Very high	92	Very high	31 Å²	31	25.3 Å²	25.3	17%	0.166	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	161.2	-172.8	-54.2	-73.7	0	0	0	113.7	T744 L745 K747 Q782 D783 Y788	T744-N786 HydrophobicContact CG2-CB 4.19Å; L745-N786 CarbonylContact O-C 3.51Å; L745-N786 VanDerWaalsContact O-CA 3.32Å; L745-N786 WeakPolarHBondContact O-CA 3.47Å; K747-N786 WeakPolarHBondContact CE-O 3.42Å; Q782-N786 WeakPolarHBondContact CA-O 3.46Å; Q782-N786 WeakPolarHBondContact CB-O 3.44Å; D783-N786 PolarHBondContact N-O 3.14Å; D783-N786 PolarHBondContact OD1-N 3.11Å; D783-N786 PolarHBondContact OD1-ND2 3.49Å; D783-N786 PolarHBondContact OD2-ND2 3.12Å; N786-Y788 HydrophobicContact CB-CE1 4.45Å; N786-Y788 HydrophobicContact CB-CE2 3.8Å; N786-Y788 PolarHBondContact ND2-OH 3.15Å
787	L	93.1	Very high	92.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.6	169	-55.1	175.1	0	0	0	108.6	T744 L745 K747 V759 Q782 F1084 F1087	T744-L787 CarbonylContact C-O 3.52Å; T744-L787 WeakPolarHBondContact CA-O 3.4Å; L745-L787 HydrophobicContact CB-CB 4.38Å; L745-L787 PolarHBondContact N-O 3.35Å; L745-L787 PolarHBondContact O-N 3.24Å; K747-L787 HydrophobicContact CD-CD2 4.36Å; K747-L787 HydrophobicContact CG-CD2 4.07Å; K747-L787 HydrophobicContact CG-CG 3.91Å; V759-L787 HydrophobicContact CG1-CD1 3.78Å; Q782-L787 HydrophobicContact CB-CD2 3.78Å; L787-F1084 HydrophobicContact CD1-CD1 3.65Å; L787-F1084 HydrophobicContact CD1-CE1 3.58Å; L787-F1084 HydrophobicContact CD1-CG 4.26Å; L787-F1084 HydrophobicContact CD1-CZ 4.11Å; L787-F1084 HydrophobicContact CD2-CB 4.12Å; L787-F1084 HydrophobicContact CD2-CD1 4.08Å; L787-F1084 HydrophobicContact CD2-CD2 4.38Å; L787-F1084 HydrophobicContact CD2-CG 3.92Å; L787-F1087 HydrophobicContact CB-CD1 4.24Å; L787-F1087 HydrophobicContact CB-CE1 3.74Å; L787-F1087 HydrophobicContact CB-CE2 4.31Å; L787-F1087 HydrophobicContact CB-CZ 3.79Å; L787-F1087 HydrophobicContact CD1-CD2 4.4Å; L787-F1087 HydrophobicContact CD1-CE2 4.35Å; L787-F1087 HydrophobicContact CD2-CB 4.44Å; L787-F1087 HydrophobicContact CD2-CD1 3.8Å; L787-F1087 HydrophobicContact CD2-CD2 4.36Å; L787-F1087 HydrophobicContact CD2-CE1 4.2Å; L787-F1087 HydrophobicContact CD2-CG 3.91Å; L787-F1087 HydrophobicContact CG-CE1 4.49Å
788	Y	94.1	Very high	92.2	Very high	3 Å²	3	25 Å²	25	1%	0.012	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.7	-178.7	-59.6	-82.3	0	0	0	110.7	K711 T742 K743 T744 S780 F781 D783 N786 F1087	K711-Y788 HydrophobicContact CD-CE1 4.34Å; K711-Y788 WeakPolarHBondContact CD-OH 3.38Å; K711-Y788 HydrophobicContact CG-CE1 4.24Å; T742-Y788 HydrophobicContact CG2-CD1 4.3Å; K743-Y788 WeakPolarHBondContact O-CA 3.14Å; T744-Y788 HydrophobicContact CG2-CD1 3.93Å; T744-Y788 HydrophobicContact CG2-CE1 3.45Å; T744-Y788 VanDerWaalsContact CG2-CE1 3.45Å; T744-Y788 WeakPolarHBondContact OG1-CD1 3.33Å; T744-Y788 WeakPolarHBondContact OG1-CE1 3.36Å; S780-Y788 CarbonylContact C-O 3.54Å; S780-Y788 WeakPolarHBondContact CA-O 3.44Å; S780-Y788 VanDerWaalsContact CB-O 3.27Å; S780-Y788 WeakPolarHBondContact CB-O 3.44Å; F781-Y788 AromaticContact CD2-CD2 3.62Å; F781-Y788 HydrophobicContact CD2-CD2 3.62Å; F781-Y788 HydrophobicContact CD2-CE2 4.42Å; F781-Y788 HydrophobicContact CD2-CG 4.17Å; F781-Y788 HydrophobicContact CE1-CG 4.41Å; F781-Y788 AromaticContact CE2-CD2 3.32Å; F781-Y788 HydrophobicContact CE2-CD2 3.32Å; F781-Y788 AromaticContact CE2-CE2 3.97Å; F781-Y788 HydrophobicContact CE2-CE2 3.97Å; F781-Y788 AromaticContact CE2-CG 3.66Å; F781-Y788 HydrophobicContact CE2-CG 3.66Å; F781-Y788 HydrophobicContact CG-CD2 4.45Å; F781-Y788 HydrophobicContact CZ-CD1 4.45Å; F781-Y788 AromaticContact CZ-CD2 3.97Å; F781-Y788 HydrophobicContact CZ-CD2 3.97Å; F781-Y788 AromaticContact CZ-CG 3.79Å; F781-Y788 HydrophobicContact CZ-CG 3.79Å; F781-Y788 PolarHBondContact N-O 2.75Å; F781-Y788 PolarHBondContact O-N 3.36Å; D783-Y788 HydrophobicContact CB-CE2 4.3Å; D783-Y788 WeakPolarHBondContact OD2-CE2 3.34Å; D783-Y788 PolarHBondContact OD2-OH 2.83Å; N786-Y788 HydrophobicContact CB-CE1 4.45Å; N786-Y788 HydrophobicContact CB-CE2 3.8Å; N786-Y788 PolarHBondContact ND2-OH 3.15Å; Y788-F1087 WeakPolarHBondContact O-CE1 3.38Å
789	F	94.6	Very high	92.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.8	160.8	-58.4	-106.7	0	0	0	108.4	T742 K743 L745 V759 E762 R763 L766 L777 M791 F1087	T742-F789 CarbonylContact C-O 3.5Å; T742-F789 VanDerWaalsContact CA-O 3.22Å; T742-F789 WeakPolarHBondContact CA-O 3.38Å; K743-F789 HydrophobicContact CB-CB 4.17Å; K743-F789 HydrophobicContact CB-CD2 4.32Å; K743-F789 HydrophobicContact CD-CD2 4.32Å; K743-F789 PolarHBondContact N-O 3.37Å; K743-F789 PolarHBondContact O-N 3.05Å; L745-F789 HydrophobicContact CD1-CD2 3.6Å; L745-F789 HydrophobicContact CD1-CE2 3.53Å; L745-F789 HydrophobicContact CD2-CE2 4.44Å; V759-F789 HydrophobicContact CG1-CE2 4.28Å; V759-F789 HydrophobicContact CG1-CZ 4.09Å; E762-F789 HydrophobicContact CB-CE1 4.34Å; E762-F789 HydrophobicContact CB-CZ 4.22Å; E762-F789 HydrophobicContact CG-CE1 3.88Å; E762-F789 HydrophobicContact CG-CZ 3.99Å; R763-F789 HydrophobicContact CB-CE1 3.8Å; R763-F789 HydrophobicContact CB-CZ 4.34Å; R763-F789 HydrophobicContact CG-CE1 4.37Å; L766-F789 HydrophobicContact CD1-CD1 4.4Å; L777-F789 HydrophobicContact CD1-CB 3.78Å; L777-F789 HydrophobicContact CD1-CD1 3.86Å; L777-F789 HydrophobicContact CD1-CG 4.32Å; L777-F789 HydrophobicContact CD2-CD1 4.35Å; F789-M791 HydrophobicContact CB-CE 3.95Å; F789-F1087 HydrophobicContact CD1-CZ 4.34Å; F789-F1087 AromaticContact CD2-CZ 3.85Å; F789-F1087 HydrophobicContact CD2-CZ 3.85Å; F789-F1087 HydrophobicContact CE1-CE2 4.08Å; F789-F1087 HydrophobicContact CE1-CZ 4.1Å; F789-F1087 AromaticContact CE2-CE2 3.8Å; F789-F1087 HydrophobicContact CE2-CE2 3.8Å; F789-F1087 AromaticContact CE2-CZ 3.57Å; F789-F1087 HydrophobicContact CE2-CZ 3.57Å; F789-F1087 HydrophobicContact CG-CZ 4.23Å; F789-F1087 AromaticContact CZ-CE2 3.57Å; F789-F1087 HydrophobicContact CZ-CE2 3.57Å; F789-F1087 AromaticContact CZ-CZ 3.72Å; F789-F1087 HydrophobicContact CZ-CZ 3.72Å
790	V	94.6	Very high	92.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	113.5	175.2	-174.8	0	0	0	0	108.2	F714 Y740 A741 T742 Y778 Y779 F781	F714-V790 HydrophobicContact CD1-CG1 4.31Å; F714-V790 HydrophobicContact CE1-CB 4.48Å; F714-V790 HydrophobicContact CE1-CG1 3.67Å; F714-V790 HydrophobicContact CE1-CG2 4.14Å; F714-V790 HydrophobicContact CE2-CG2 4.23Å; F714-V790 HydrophobicContact CZ-CB 4.5Å; F714-V790 HydrophobicContact CZ-CG1 4.12Å; F714-V790 HydrophobicContact CZ-CG2 3.97Å; Y740-V790 VanDerWaalsContact CB-CG1 3.46Å; Y740-V790 HydrophobicContact CD1-CG1 3.92Å; Y740-V790 HydrophobicContact CD2-CG1 4.09Å; Y740-V790 HydrophobicContact CG-CG1 3.55Å; A741-V790 WeakPolarHBondContact O-CA 3.34Å; T742-V790 HydrophobicContact CG2-CG2 4.26Å; Y778-V790 PolarHBondContact N-O 2.98Å; Y779-V790 HydrophobicContact CD2-CB 3.9Å; Y779-V790 HydrophobicContact CD2-CG1 3.89Å; Y779-V790 HydrophobicContact CD2-CG2 4.44Å; Y779-V790 HydrophobicContact CG-CB 4.48Å; Y779-V790 PolarHBondContact N-O 3.34Å; Y779-V790 VanDerWaalsContact N-O 3.14Å; Y779-V790 PolarHBondContact O-N 3.3Å; F781-V790 HydrophobicContact CE1-CG2 3.83Å
791	M	94.4	Very high	92.3	Very high	10 Å²	10	27.3 Å²	27.3	5%	0.049	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	172	-165.6	53.1	174.6	64.8	0	0	111.4	Y740 A741 L766 V775 R776 F789 Y793	Y740-M791 WeakPolarHBondContact CA-O 3.44Å; Y740-M791 WeakPolarHBondContact CB-O 3.46Å; A741-M791 HydrophobicContact CB-CG 4Å; A741-M791 PolarHBondContact N-O 3.05Å; A741-M791 VanDerWaalsContact O-CG 3.27Å; A741-M791 WeakPolarHBondContact O-CG 3.31Å; A741-M791 PolarHBondContact O-N 2.83Å; L766-M791 HydrophobicContact CD1-CE 3.93Å; V775-M791 HydrophobicContact CG1-CB 3.77Å; V775-M791 HydrophobicContact CG1-CG 4.15Å; V775-M791 HydrophobicContact CG1-SD 3.86Å; R776-M791 CarbonylContact O-C 3.55Å; R776-M791 WeakPolarHBondContact O-CA 3.31Å; R776-M791 WeakPolarHBondContact O-CB 3.38Å; F789-M791 HydrophobicContact CB-CE 3.95Å; M791-Y793 PolarHBondContact O-N 3.23Å
792	D	92.3	Very high	92.3	Very high	13 Å²	13	27.3 Å²	27.3	7%	0.07	14%	0.137	C	C	.	.			trans	-48	136.9	174.7	-69.9	-41.9	0	0	0	111.1	A741 V775 R776 Y778 I794	A741-D792 WeakPolarHBondContact CB-O 3.43Å; V775-D792 HydrophobicContact CG1-CB 4.36Å; R776-D792 WeakPolarHBondContact CB-OD2 3.15Å; R776-D792 PolarHBondContact N-OD2 3.34Å; R776-D792 PolarHBondContact O-N 3.03Å; Y778-D792 WeakPolarHBondContact CE2-OD1 3.45Å; Y778-D792 VanDerWaalsContact CZ-OD1 3.27Å; Y778-D792 PolarHBondContact OH-OD1 3.04Å; D792-I794 HydrophobicContact CB-CD1 3.6Å; D792-I794 HydrophobicContact CB-CG1 4.15Å
793	Y	95	Very high	92.3	Very high	24 Å²	24	25 Å²	25	9%	0.094	13%	0.126	C	C	.	.			trans	-86.4	121.5	163.3	178.3	-127.5	0	0	0	109.3	L720 L730 M791 P795 D1044 F1048	L720-Y793 HydrophobicContact CD1-CD2 3.85Å; L720-Y793 HydrophobicContact CD1-CE2 3.58Å; L720-Y793 HydrophobicContact CD2-CE2 3.96Å; L720-Y793 HydrophobicContact CG-CE2 4.43Å; L730-Y793 HydrophobicContact CD1-CD1 3.59Å; L730-Y793 HydrophobicContact CD1-CD2 3.84Å; L730-Y793 HydrophobicContact CD1-CE1 3.82Å; L730-Y793 HydrophobicContact CD1-CE2 4.1Å; L730-Y793 HydrophobicContact CD1-CG 3.59Å; L730-Y793 HydrophobicContact CD2-CE1 4.18Å; M791-Y793 PolarHBondContact O-N 3.23Å; Y793-P795 HydrophobicContact CD1-CB 4.49Å; Y793-P795 HydrophobicContact CE1-CB 3.87Å; Y793-P795 WeakPolarHBondContact O-CD 3.1Å; Y793-D1044 PolarHBondContact OH-O 3.49Å; Y793-F1048 AromaticContact CE2-CE2 3.86Å; Y793-F1048 HydrophobicContact CE2-CE2 3.86Å; Y793-F1048 AromaticContact CE2-CZ 3.8Å; Y793-F1048 HydrophobicContact CE2-CZ 3.8Å
794	I	95.3	Very high	92.3	Very high	11 Å²	11	28.5 Å²	28.5	6%	0.056	14%	0.144	C	C	.	.			trans	-111.7	93.7	-174.7	-56.3	-55.1	0	0	0	108.9	V775 D792 G796 L844 I845 D846 K852 F1048	V775-I794 HydrophobicContact CG2-CG1 4.3Å; D792-I794 HydrophobicContact CB-CD1 3.6Å; D792-I794 HydrophobicContact CB-CG1 4.15Å; I794-G796 VanDerWaalsContact C-N 3.34Å; I794-G796 PolarHBondContact O-N 3.03Å; I794-L844 HydrophobicContact CB-CB 4.22Å; I794-L844 HydrophobicContact CB-CD1 4.03Å; I794-L844 HydrophobicContact CG1-CD1 4.09Å; I794-L844 HydrophobicContact CG2-CB 3.65Å; I794-L844 HydrophobicContact CG2-CD1 4.38Å; I794-I845 VanDerWaalsContact CG2-C 3.49Å; I794-I845 WeakPolarHBondContact CG2-O 3.49Å; I794-D846 HydrophobicContact CG2-CB 4.24Å; I794-K852 HydrophobicContact CD1-CD 3.67Å; I794-K852 HydrophobicContact CG1-CD 4.43Å; I794-F1048 VanDerWaalsContact O-CZ 3.28Å; I794-F1048 WeakPolarHBondContact O-CZ 3.39Å
795	P	94.1	Very high	92.4	Very high	18 Å²	18	26.6 Å²	26.6	12%	0.117	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-8.9	-165.2	29.3	-37.8	0	0	0	116	Y793 G797 R847 I1039 N1047	Y793-P795 HydrophobicContact CD1-CB 4.49Å; Y793-P795 HydrophobicContact CE1-CB 3.87Å; Y793-P795 WeakPolarHBondContact O-CD 3.1Å; P795-G797 PolarHBondContact O-N 3.46Å; P795-R847 HydrophobicContact CG-CB 4.11Å; P795-I1039 HydrophobicContact CB-CD1 3.93Å; P795-I1039 HydrophobicContact CB-CG1 4.19Å; P795-I1039 HydrophobicContact CB-CG2 4.4Å; P795-I1039 HydrophobicContact CG-CD1 3.64Å; P795-I1039 HydrophobicContact CG-CG1 4.42Å; P795-N1047 PolarHBondContact O-ND2 2.94Å
796	G	93.8	Very high	92.5	Very high	6 Å²	6	26.3 Å²	26.3	6%	0.062	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-4.4	178.4	0	0	0	0	0	114.8	I794 I845 N1047	I794-G796 VanDerWaalsContact C-N 3.34Å; I794-G796 PolarHBondContact O-N 3.03Å; G796-I845 CarbonylContact C-O 3.49Å; G796-I845 WeakPolarHBondContact CA-O 3.43Å; G796-I845 PolarHBondContact N-O 2.9Å; G796-I845 VanDerWaalsContact N-O 3.13Å; G796-N1047 VanDerWaalsContact C-CB 3.47Å; G796-N1047 VanDerWaalsContact O-CB 3.3Å; G796-N1047 WeakPolarHBondContact O-CB 3.47Å
797	G	92.9	Very high	92.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.			trans	78.5	-156.3	-176.2	0	0	0	0	0	112.3	P795 L844 I845 N1047	P795-G797 PolarHBondContact O-N 3.46Å; G797-L844 CarbonylContact O-C 3.21Å; G797-L844 WeakPolarHBondContact O-CA 3.39Å; G797-I845 PolarHBondContact O-N 3.22Å; G797-N1047 WeakPolarHBondContact CA-O 3.29Å
798	D	93.2	Very high	92.4	Very high	27 Å²	27	30 Å²	30	14%	0.144	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-110.5	165.4	179.4	67.9	90	0	0	0	112.8	M800 S801 L802 I843 L844	D798-M800 VanDerWaalsContact OD1-CA 3.31Å; D798-M800 WeakPolarHBondContact OD1-CA 3.47Å; D798-M800 WeakPolarHBondContact OD1-CB 3.46Å; D798-M800 PolarHBondContact OD1-N 3.36Å; D798-S801 PolarHBondContact OD1-N 2.95Å; D798-S801 PolarHBondContact OD1-OG 3.47Å; D798-S801 VanDerWaalsContact OD2-CB 3.31Å; D798-S801 WeakPolarHBondContact OD2-CB 3.09Å; D798-S801 PolarHBondContact OD2-OG 2.84Å; D798-L802 PolarHBondContact O-N 3.2Å; D798-I843 CarbonylContact C-O 3.57Å; D798-I843 WeakPolarHBondContact CA-O 3.39Å; D798-L844 HydrophobicContact CB-CD2 3.8Å
799	M	95	Very high	92.5	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-72.6	-25.3	-178.1	-175	177.1	-77.5	0	0	113	L802 L803 F809 Y817 P840 I843 I851 I948 M952	M799-L802 PolarHBondContact O-N 2.97Å; M799-L803 VanDerWaalsContact O-CB 3.28Å; M799-L803 WeakPolarHBondContact O-CB 3.37Å; M799-L803 PolarHBondContact O-N 3.39Å; M799-F809 HydrophobicContact CG-CE2 4.24Å; M799-F809 HydrophobicContact CG-CZ 4.34Å; M799-Y817 HydrophobicContact CE-CD1 4.29Å; M799-Y817 HydrophobicContact CE-CD2 3.89Å; M799-Y817 HydrophobicContact CE-CG 3.76Å; M799-P840 HydrophobicContact CB-CB 4.16Å; M799-P840 WeakPolarHBondContact CB-O 3.44Å; M799-P840 HydrophobicContact CG-CB 4.25Å; M799-P840 PolarHBondContact N-O 3.37Å; M799-I843 HydrophobicContact CB-CB 4.04Å; M799-I843 HydrophobicContact CB-CG2 4.28Å; M799-I843 HydrophobicContact CE-CB 4.5Å; M799-I843 HydrophobicContact CE-CG2 3.72Å; M799-I843 PolarHBondContact N-O 3.47Å; M799-I843 HydrophobicContact SD-CB 4.46Å; M799-I843 HydrophobicContact SD-CD1 4.01Å; M799-I843 HydrophobicContact SD-CG2 4.29Å; M799-I851 HydrophobicContact CE-CG2 4.02Å; M799-I948 HydrophobicContact SD-CG2 4.31Å; M799-M952 HydrophobicContact SD-SD 3.98Å
800	M	90.1	Very high	92.5	Very high	53 Å²	53	33.1 Å²	33.1	26%	0.261	18%	0.181	S	C	.	.	H	α-helix	trans	-66.4	-48.4	174.2	-169.2	61.1	178.1	0	0	110.1	D798 L802 L803 I804 P840	D798-M800 VanDerWaalsContact OD1-CA 3.31Å; D798-M800 WeakPolarHBondContact OD1-CA 3.47Å; D798-M800 WeakPolarHBondContact OD1-CB 3.46Å; D798-M800 PolarHBondContact OD1-N 3.36Å; M800-L802 VanDerWaalsContact C-N 3.28Å; M800-L802 PolarHBondContact O-N 2.87Å; M800-L803 PolarHBondContact O-N 2.88Å; M800-L803 VanDerWaalsContact O-N 3.11Å; M800-I804 HydrophobicContact CE-CD1 4.24Å; M800-I804 HydrophobicContact CE-CG1 4.39Å; M800-I804 HydrophobicContact CG-CD1 3.97Å; M800-I804 VanDerWaalsContact O-CG1 3.29Å; M800-I804 WeakPolarHBondContact O-CG1 3.36Å; M800-I804 PolarHBondContact O-N 3.48Å; M800-P840 HydrophobicContact CB-CB 3.9Å; M800-P840 PolarHBondContact N-O 3.27Å; M800-P840 HydrophobicContact SD-CB 4.17Å; M800-P840 HydrophobicContact SD-CG 4.42Å
801	S	89.4	Confident	92.5	Very high	18 Å²	18	35.8 Å²	35.8	13%	0.126	19%	0.193	C	C	.	.	H	α-helix	trans	-57.6	-37.2	174.1	-67	0	0	0	0	112.7	D798 R805	D798-S801 PolarHBondContact OD1-N 2.95Å; D798-S801 PolarHBondContact OD1-OG 3.47Å; D798-S801 VanDerWaalsContact OD2-CB 3.31Å; D798-S801 WeakPolarHBondContact OD2-CB 3.09Å; D798-S801 PolarHBondContact OD2-OG 2.84Å; S801-R805 VanDerWaalsContact O-CB 3.31Å; S801-R805 WeakPolarHBondContact O-CB 3.27Å; S801-R805 PolarHBondContact O-N 3.32Å
802	L	92	Very high	92.5	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.031	21%	0.209	C	C	.	.	H	α-helix	trans	-71	-41.4	173.6	-176.9	59.5	0	0	0	112.4	D798 M799 M800 R805 M806 F809 Y817 I845 Y1035	D798-L802 PolarHBondContact O-N 3.2Å; M799-L802 PolarHBondContact O-N 2.97Å; M800-L802 VanDerWaalsContact C-N 3.28Å; M800-L802 PolarHBondContact O-N 2.87Å; L802-R805 WeakPolarHBondContact O-CB 3.19Å; L802-R805 PolarHBondContact O-N 3.02Å; L802-M806 HydrophobicContact CD1-CG 4.08Å; L802-M806 HydrophobicContact CD1-SD 3.79Å; L802-M806 HydrophobicContact CG-SD 4.08Å; L802-M806 PolarHBondContact O-N 2.87Å; L802-F809 HydrophobicContact CB-CZ 4.24Å; L802-F809 HydrophobicContact CD2-CE1 4.25Å; L802-F809 HydrophobicContact CD2-CZ 3.83Å; L802-F809 HydrophobicContact CG-CE1 3.86Å; L802-F809 HydrophobicContact CG-CZ 3.77Å; L802-Y817 HydrophobicContact CD2-CE2 4.25Å; L802-I845 HydrophobicContact CB-CD1 4.26Å; L802-I845 HydrophobicContact CD2-CD1 3.46Å; L802-I845 VanDerWaalsContact CD2-CD1 3.46Å; L802-I845 HydrophobicContact CG-CD1 4.49Å; L802-Y1035 HydrophobicContact CD1-CD1 4.23Å; L802-Y1035 HydrophobicContact CD1-CD2 4.37Å; L802-Y1035 HydrophobicContact CD1-CE1 3.67Å; L802-Y1035 HydrophobicContact CD1-CE2 3.82Å; L802-Y1035 VanDerWaalsContact CD1-CZ 3.43Å; L802-Y1035 HydrophobicContact CD2-CD1 3.64Å; L802-Y1035 HydrophobicContact CD2-CE1 3.71Å; L802-Y1035 HydrophobicContact CD2-CG 4.21Å; L802-Y1035 HydrophobicContact CG-CE1 4.33Å
803	L	90.9	Very high	92.7	Very high	9 Å²	9	38.6 Å²	38.6	5%	0.047	21%	0.208	C	C	.	.	H	α-helix	trans	-69.9	-39.1	-178.4	-170.9	53.6	0	0	0	112	M799 M800 R805 M806 G807 F809 E951 M952	M799-L803 VanDerWaalsContact O-CB 3.28Å; M799-L803 WeakPolarHBondContact O-CB 3.37Å; M799-L803 PolarHBondContact O-N 3.39Å; M800-L803 PolarHBondContact O-N 2.88Å; M800-L803 VanDerWaalsContact O-N 3.11Å; L803-R805 VanDerWaalsContact C-N 3.26Å; L803-R805 PolarHBondContact O-N 3.38Å; L803-M806 PolarHBondContact O-N 3.38Å; L803-G807 WeakPolarHBondContact O-CA 3.31Å; L803-G807 PolarHBondContact O-N 3.17Å; L803-F809 HydrophobicContact CB-CE1 4.11Å; L803-F809 HydrophobicContact CB-CZ 4.05Å; L803-F809 HydrophobicContact CD1-CD1 3.75Å; L803-F809 HydrophobicContact CD1-CE1 3.67Å; L803-F809 HydrophobicContact CD1-CG 4.24Å; L803-F809 HydrophobicContact CD1-CZ 4.07Å; L803-F809 HydrophobicContact CG-CE1 4.49Å; L803-E951 HydrophobicContact CD2-CB 4.5Å; L803-E951 HydrophobicContact CD2-CG 3.81Å; L803-M952 HydrophobicContact CD2-CG 4.5Å
804	I	88.4	Confident	92.8	Very high	121 Å²	121	37.4 Å²	37.4	62%	0.621	20%	0.204	S	C	*	.	H	α-helix	trans	-57.6	-40.7	169	-68.3	164.6	0	0	0	110.9	M800	M800-I804 HydrophobicContact CE-CD1 4.24Å; M800-I804 HydrophobicContact CE-CG1 4.39Å; M800-I804 HydrophobicContact CG-CD1 3.97Å; M800-I804 VanDerWaalsContact O-CG1 3.29Å; M800-I804 WeakPolarHBondContact O-CG1 3.36Å; M800-I804 PolarHBondContact O-N 3.48Å
805	R	88.4	Confident	92.8	Very high	127 Å²	127	38 Å²	38	48%	0.479	21%	0.206	S	C	.	.	H	α-helix	trans	-72.8	-32	-178	-170.6	-171.5	-58	178	-2.7	113.6	S801 L802 L803 Y1035 N1047	S801-R805 VanDerWaalsContact O-CB 3.31Å; S801-R805 WeakPolarHBondContact O-CB 3.27Å; S801-R805 PolarHBondContact O-N 3.32Å; L802-R805 WeakPolarHBondContact O-CB 3.19Å; L802-R805 PolarHBondContact O-N 3.02Å; L803-R805 VanDerWaalsContact C-N 3.26Å; L803-R805 PolarHBondContact O-N 3.38Å; R805-Y1035 PolarHBondContact NH1-OH 3.05Å; R805-N1047 PolarHBondContact NH1-OD1 3.02Å; R805-N1047 PolarHBondContact NH2-OD1 2.82Å; R805-N1047 VanDerWaalsContact NH2-OD1 3.17Å
806	M	90.6	Very high	92.9	Very high	74 Å²	74	37.2 Å²	37.2	37%	0.365	20%	0.201	S	C	.	.	H	α-helix	trans	-98	-21.3	-179.5	-67.5	-174.7	62.6	0	0	113.8	L802 L803 V808 F809 L813	L802-M806 HydrophobicContact CD1-CG 4.08Å; L802-M806 HydrophobicContact CD1-SD 3.79Å; L802-M806 HydrophobicContact CG-SD 4.08Å; L802-M806 PolarHBondContact O-N 2.87Å; L803-M806 PolarHBondContact O-N 3.38Å; M806-V808 PolarHBondContact O-N 3.15Å; M806-F809 HydrophobicContact CB-CD1 3.99Å; M806-F809 HydrophobicContact CB-CE1 4.01Å; M806-F809 HydrophobicContact CE-CD1 4.07Å; M806-F809 HydrophobicContact CG-CD1 4.45Å; M806-F809 HydrophobicContact CG-CE1 4.26Å; M806-F809 HydrophobicContact SD-CD1 3.79Å; M806-F809 HydrophobicContact SD-CE1 3.73Å; M806-L813 HydrophobicContact CE-CD2 3.77Å; M806-L813 HydrophobicContact SD-CD2 4.05Å
807	G	89.1	Confident	93.1	Very high	39 Å²	39	37 Å²	37	40%	0.402	20%	0.198	S	C	.	.	S	Bend	trans	73.7	-55.3	-172.7	0	0	0	0	0	113.2	L803 G955	L803-G807 WeakPolarHBondContact O-CA 3.31Å; L803-G807 PolarHBondContact O-N 3.17Å; G807-G955 VanDerWaalsContact O-CA 3.25Å; G807-G955 WeakPolarHBondContact O-CA 3.37Å
808	V	92.9	Very high	93.3	Very high	70 Å²	70	37 Å²	37	42%	0.424	20%	0.198	S	C	.	.	S	Bend	trans	-141.8	138.1	177.2	-176.6	0	0	0	0	108.9	M806 M952 L953	M806-V808 PolarHBondContact O-N 3.15Å; V808-M952 WeakPolarHBondContact CG1-O 3.34Å; V808-L953 WeakPolarHBondContact CG1-O 3.41Å
809	F	95.7	Very high	93.5	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.018	19%	0.191	C	C	.	.			trans	-84.8	139	175.5	-68.8	-4.6	0	0	0	111.3	M799 L802 L803 M806 L813 A814 Y817 M952	M799-F809 HydrophobicContact CG-CE2 4.24Å; M799-F809 HydrophobicContact CG-CZ 4.34Å; L802-F809 HydrophobicContact CB-CZ 4.24Å; L802-F809 HydrophobicContact CD2-CE1 4.25Å; L802-F809 HydrophobicContact CD2-CZ 3.83Å; L802-F809 HydrophobicContact CG-CE1 3.86Å; L802-F809 HydrophobicContact CG-CZ 3.77Å; L803-F809 HydrophobicContact CB-CE1 4.11Å; L803-F809 HydrophobicContact CB-CZ 4.05Å; L803-F809 HydrophobicContact CD1-CD1 3.75Å; L803-F809 HydrophobicContact CD1-CE1 3.67Å; L803-F809 HydrophobicContact CD1-CG 4.24Å; L803-F809 HydrophobicContact CD1-CZ 4.07Å; L803-F809 HydrophobicContact CG-CE1 4.49Å; M806-F809 HydrophobicContact CB-CD1 3.99Å; M806-F809 HydrophobicContact CB-CE1 4.01Å; M806-F809 HydrophobicContact CE-CD1 4.07Å; M806-F809 HydrophobicContact CG-CD1 4.45Å; M806-F809 HydrophobicContact CG-CE1 4.26Å; M806-F809 HydrophobicContact SD-CD1 3.79Å; M806-F809 HydrophobicContact SD-CE1 3.73Å; F809-L813 HydrophobicContact CB-CB 4.47Å; F809-L813 HydrophobicContact CB-CD2 4.16Å; F809-L813 HydrophobicContact CB-CG 4.47Å; F809-L813 HydrophobicContact CD1-CD2 4.17Å; F809-L813 HydrophobicContact CD2-CD2 4.23Å; F809-L813 HydrophobicContact CD2-CG 4.33Å; F809-L813 HydrophobicContact CG-CD2 3.94Å; F809-L813 HydrophobicContact CG-CG 4.41Å; F809-A814 HydrophobicContact CB-CB 4.35Å; F809-Y817 HydrophobicContact CD2-CD2 4.39Å; F809-Y817 HydrophobicContact CE2-CD2 4.07Å; F809-Y817 HydrophobicContact CE2-CE2 4.43Å; F809-M952 HydrophobicContact CB-CB 4.33Å; F809-M952 HydrophobicContact CD2-CB 3.85Å; F809-M952 HydrophobicContact CD2-CG 3.6Å; F809-M952 HydrophobicContact CD2-SD 3.54Å; F809-M952 VanDerWaalsContact CD2-SD 3.54Å; F809-M952 HydrophobicContact CE2-CG 3.81Å; F809-M952 HydrophobicContact CE2-SD 3.67Å; F809-M952 HydrophobicContact CG-CB 4.32Å; F809-M952 HydrophobicContact CG-CG 4.47Å; F809-M952 PolarHBondContact N-O 3.02Å
810	P	95.3	Very high	93.5	Very high	65 Å²	65	35.7 Å²	35.7	42%	0.422	19%	0.191	S	C	.	.			trans	-53.9	143.6	164.9	-26.4	36	0	0	0	111.5	N812 L813 A814	P810-N812 VanDerWaalsContact CB-OD1 3.32Å; P810-N812 WeakPolarHBondContact CB-OD1 3.49Å; P810-N812 PolarHBondContact O-N 3.05Å; P810-N812 VanDerWaalsContact O-N 3.12Å; P810-L813 HydrophobicContact CB-CB 4.48Å; P810-L813 WeakPolarHBondContact O-CA 3.19Å; P810-L813 WeakPolarHBondContact O-CB 3.17Å; P810-L813 PolarHBondContact O-N 3.36Å; P810-A814 PolarHBondContact O-N 2.74Å
811	E	94.8	Very high	93.9	Very high	55 Å²	55	33.2 Å²	33.2	26%	0.257	18%	0.179	S	C	.	.	H	α-helix	trans	-60.6	-30.7	-171	-164.8	178	116.8	0	0	113.2	Q815 L953 T987 A990 F1018	E811-Q815 WeakPolarHBondContact O-CB 3.2Å; E811-Q815 PolarHBondContact O-N 3.06Å; E811-L953 HydrophobicContact CB-CD2 4.08Å; E811-L953 HydrophobicContact CG-CD2 3.94Å; E811-T987 VanDerWaalsContact CD-OG1 3.3Å; E811-T987 WeakPolarHBondContact OE1-CB 3.37Å; E811-T987 WeakPolarHBondContact OE1-CG2 3.39Å; E811-T987 PolarHBondContact OE1-OG1 3Å; E811-T987 PolarHBondContact OE2-N 2.94Å; E811-T987 PolarHBondContact OE2-OG1 3.47Å; E811-A990 HydrophobicContact CG-CB 4.45Å; E811-F1018 HydrophobicContact CG-CE2 3.89Å; E811-F1018 HydrophobicContact CG-CZ 4.44Å
812	N	94.3	Very high	94.2	Very high	74 Å²	74	32.4 Å²	32.4	40%	0.396	17%	0.173	S	C	.	.	H	α-helix	trans	-70	-32.6	173.3	64.6	-62.4	0	0	0	113.6	P810 F816 F1034	P810-N812 VanDerWaalsContact CB-OD1 3.32Å; P810-N812 WeakPolarHBondContact CB-OD1 3.49Å; P810-N812 PolarHBondContact O-N 3.05Å; P810-N812 VanDerWaalsContact O-N 3.12Å; N812-F816 WeakPolarHBondContact O-CB 3.31Å; N812-F816 PolarHBondContact O-N 2.93Å; N812-F1034 VanDerWaalsContact ND2-CD1 3.25Å; N812-F1034 WeakPolarHBondContact ND2-CD1 3.42Å; N812-F1034 WeakPolarHBondContact ND2-CE1 3.34Å
813	L	95.5	Very high	94.4	Very high	8 Å²	8	33 Å²	33	4%	0.042	18%	0.178	C	C	.	.	H	α-helix	trans	-72.3	-43.9	174.5	-178.9	65	0	0	0	110.3	M806 F809 P810 F816 Y817 F1034	M806-L813 HydrophobicContact CE-CD2 3.77Å; M806-L813 HydrophobicContact SD-CD2 4.05Å; F809-L813 HydrophobicContact CB-CB 4.47Å; F809-L813 HydrophobicContact CB-CD2 4.16Å; F809-L813 HydrophobicContact CB-CG 4.47Å; F809-L813 HydrophobicContact CD1-CD2 4.17Å; F809-L813 HydrophobicContact CD2-CD2 4.23Å; F809-L813 HydrophobicContact CD2-CG 4.33Å; F809-L813 HydrophobicContact CG-CD2 3.94Å; F809-L813 HydrophobicContact CG-CG 4.41Å; P810-L813 HydrophobicContact CB-CB 4.48Å; P810-L813 WeakPolarHBondContact O-CA 3.19Å; P810-L813 WeakPolarHBondContact O-CB 3.17Å; P810-L813 PolarHBondContact O-N 3.36Å; L813-F816 PolarHBondContact O-N 2.96Å; L813-Y817 HydrophobicContact CD1-CD2 3.94Å; L813-Y817 HydrophobicContact CD1-CE2 3.53Å; L813-Y817 HydrophobicContact CD2-CE2 4.49Å; L813-Y817 HydrophobicContact CG-CD2 4.05Å; L813-Y817 HydrophobicContact CG-CE2 3.96Å; L813-Y817 PolarHBondContact O-N 2.92Å; L813-F1034 HydrophobicContact CD1-CB 3.65Å
814	A	96.8	Very high	94.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.9	-41.2	173.1	0	0	0	0	0	112	F809 P810 Y817 T818 L949 M952 L953	F809-A814 HydrophobicContact CB-CB 4.35Å; P810-A814 PolarHBondContact O-N 2.74Å; A814-Y817 PolarHBondContact O-N 3.05Å; A814-T818 WeakPolarHBondContact O-CB 3.26Å; A814-T818 PolarHBondContact O-N 3.43Å; A814-T818 PolarHBondContact O-OG1 3.23Å; A814-L949 HydrophobicContact CB-CD1 4.43Å; A814-M952 HydrophobicContact CB-CB 4.09Å; A814-M952 HydrophobicContact CB-CE 4.11Å; A814-M952 HydrophobicContact CB-SD 4.48Å; A814-L953 HydrophobicContact CB-CD2 3.61Å; A814-L953 HydrophobicContact CB-CG 4.02Å
815	Q	96.6	Very high	94.9	Very high	24 Å²	24	26.9 Å²	26.9	11%	0.112	15%	0.146	C	C	.	.	H	α-helix	trans	-57.5	-50.6	173.8	-179.5	-168.2	85	0	0	111.6	E811 T818 A819 F1018 F1019 T1021 I1022	E811-Q815 WeakPolarHBondContact O-CB 3.2Å; E811-Q815 PolarHBondContact O-N 3.06Å; Q815-T818 PolarHBondContact O-N 2.85Å; Q815-A819 WeakPolarHBondContact O-CB 3.22Å; Q815-A819 PolarHBondContact O-N 3.48Å; Q815-F1018 HydrophobicContact CB-CE1 3.92Å; Q815-F1018 HydrophobicContact CB-CE2 4.37Å; Q815-F1018 HydrophobicContact CB-CZ 3.7Å; Q815-F1018 HydrophobicContact CG-CD1 4.44Å; Q815-F1018 HydrophobicContact CG-CE1 4.06Å; Q815-F1018 HydrophobicContact CG-CZ 4.21Å; Q815-F1018 PolarHBondContact NE2-O 3.39Å; Q815-F1019 HydrophobicContact CG-CD1 4.17Å; Q815-T1021 PolarHBondContact NE2-OG1 3.49Å; Q815-T1021 PolarHBondContact OE1-OG1 3.21Å; Q815-I1022 HydrophobicContact CG-CD1 4.25Å; Q815-I1022 HydrophobicContact CG-CG1 3.96Å
816	F	95.8	Very high	95.2	Very high	1 Å²	1	22 Å²	22	0%	0.004	13%	0.129	C	C	.	.	H	α-helix	trans	-58.7	-52.4	177.9	178.8	-99.1	0	0	0	111.6	N812 L813 T818 A819 E820 H850 L1028 A1033 F1034	N812-F816 WeakPolarHBondContact O-CB 3.31Å; N812-F816 PolarHBondContact O-N 2.93Å; L813-F816 PolarHBondContact O-N 2.96Å; F816-T818 VanDerWaalsContact C-N 3.35Å; F816-T818 PolarHBondContact O-N 3.18Å; F816-A819 WeakPolarHBondContact O-CB 3.49Å; F816-A819 PolarHBondContact O-N 3.32Å; F816-A819 VanDerWaalsContact O-N 3.16Å; F816-E820 HydrophobicContact CE1-CG 4.11Å; F816-E820 HydrophobicContact CZ-CG 4.11Å; F816-E820 PolarHBondContact O-N 2.89Å; F816-H850 AromaticContact CZ-CE1 3.79Å; F816-H850 AromaticContact CZ-ND1 3.77Å; F816-L1028 HydrophobicContact CD2-CD1 4.44Å; F816-L1028 HydrophobicContact CE2-CD1 4.07Å; F816-L1028 HydrophobicContact CE2-CG 4.39Å; F816-A1033 HydrophobicContact CE1-CB 3.8Å; F816-A1033 HydrophobicContact CZ-CB 3.94Å; F816-F1034 HydrophobicContact CB-CD2 3.63Å; F816-F1034 HydrophobicContact CB-CE2 4.04Å; F816-F1034 HydrophobicContact CD1-CD2 4.35Å; F816-F1034 AromaticContact CD2-CD2 3.82Å; F816-F1034 HydrophobicContact CD2-CD2 3.82Å; F816-F1034 HydrophobicContact CD2-CE2 4.01Å; F816-F1034 AromaticContact CG-CD2 3.67Å; F816-F1034 HydrophobicContact CG-CD2 3.67Å; F816-F1034 HydrophobicContact CG-CE2 4.22Å
817	Y	97.2	Very high	95.3	Very high	1 Å²	1	19.5 Å²	19.5	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-68	-30.1	-179.3	-73.7	-37.6	0	0	0	114	M799 L802 F809 L813 A814 L821 G849 I851	M799-Y817 HydrophobicContact CE-CD1 4.29Å; M799-Y817 HydrophobicContact CE-CD2 3.89Å; M799-Y817 HydrophobicContact CE-CG 3.76Å; L802-Y817 HydrophobicContact CD2-CE2 4.25Å; F809-Y817 HydrophobicContact CD2-CD2 4.39Å; F809-Y817 HydrophobicContact CE2-CD2 4.07Å; F809-Y817 HydrophobicContact CE2-CE2 4.43Å; L813-Y817 HydrophobicContact CD1-CD2 3.94Å; L813-Y817 HydrophobicContact CD1-CE2 3.53Å; L813-Y817 HydrophobicContact CD2-CE2 4.49Å; L813-Y817 HydrophobicContact CG-CD2 4.05Å; L813-Y817 HydrophobicContact CG-CE2 3.96Å; L813-Y817 PolarHBondContact O-N 2.92Å; A814-Y817 PolarHBondContact O-N 3.05Å; Y817-L821 WeakPolarHBondContact O-CB 3.45Å; Y817-L821 PolarHBondContact O-N 3.21Å; Y817-G849 WeakPolarHBondContact CE1-O 3.49Å; Y817-G849 PolarHBondContact OH-O 3.45Å; Y817-G849 VanDerWaalsContact OH-O 3.04Å; Y817-I851 HydrophobicContact CD1-CG2 3.51Å; Y817-I851 HydrophobicContact CE1-CG2 3.77Å; Y817-I851 HydrophobicContact CG-CG2 4.36Å
818	T	97.8	Very high	95.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-72.3	-33	173.1	-50.8	0	0	0	0	111.4	A814 Q815 F816 T822 V945 L949 M952 F1019	A814-T818 WeakPolarHBondContact O-CB 3.26Å; A814-T818 PolarHBondContact O-N 3.43Å; A814-T818 PolarHBondContact O-OG1 3.23Å; Q815-T818 PolarHBondContact O-N 2.85Å; F816-T818 VanDerWaalsContact C-N 3.35Å; F816-T818 PolarHBondContact O-N 3.18Å; T818-T822 WeakPolarHBondContact O-CB 3.48Å; T818-T822 PolarHBondContact O-N 3.48Å; T818-T822 PolarHBondContact O-OG1 2.87Å; T818-V945 HydrophobicContact CG2-CG1 3.82Å; T818-L949 HydrophobicContact CG2-CB 4.45Å; T818-L949 HydrophobicContact CG2-CD2 4.44Å; T818-M952 WeakPolarHBondContact OG1-CE 3.36Å; T818-F1019 HydrophobicContact CG2-CE1 4.25Å; T818-F1019 HydrophobicContact CG2-CZ 3.83Å
819	A	96.6	Very high	95.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-66.6	-48.4	173	0	0	0	0	0	111.2	Q815 F816 L821 T822 C823 F1019 I1022 F1024 L1028	Q815-A819 WeakPolarHBondContact O-CB 3.22Å; Q815-A819 PolarHBondContact O-N 3.48Å; F816-A819 WeakPolarHBondContact O-CB 3.49Å; F816-A819 PolarHBondContact O-N 3.32Å; F816-A819 VanDerWaalsContact O-N 3.16Å; A819-L821 PolarHBondContact O-N 3.33Å; A819-T822 WeakPolarHBondContact O-CB 3.35Å; A819-T822 PolarHBondContact O-N 3.15Å; A819-C823 PolarHBondContact O-N 3.04Å; A819-C823 VanDerWaalsContact O-N 3.1Å; A819-F1019 HydrophobicContact CB-CD1 3.92Å; A819-F1019 HydrophobicContact CB-CE1 3.91Å; A819-I1022 HydrophobicContact CB-CG1 4.24Å; A819-I1022 HydrophobicContact CB-CG2 3.95Å; A819-F1024 HydrophobicContact CB-CE1 3.72Å; A819-F1024 HydrophobicContact CB-CZ 3.77Å; A819-L1028 HydrophobicContact CB-CD2 4.03Å
820	E	96.2	Very high	95	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.1	-44.6	173.4	-69.6	-146.7	125.1	0	0	112	W773 F816 T822 C823 A824 H850 I851 L1028	W773-E820 HydrophobicContact CH2-CB 4.31Å; W773-E820 HydrophobicContact CH2-CG 4.25Å; W773-E820 HydrophobicContact CZ3-CB 3.83Å; W773-E820 HydrophobicContact CZ3-CG 4.03Å; F816-E820 HydrophobicContact CE1-CG 4.11Å; F816-E820 HydrophobicContact CZ-CG 4.11Å; F816-E820 PolarHBondContact O-N 2.89Å; E820-T822 VanDerWaalsContact C-N 3.27Å; E820-T822 PolarHBondContact O-N 3.44Å; E820-C823 WeakPolarHBondContact O-CB 3.46Å; E820-C823 PolarHBondContact O-N 3.12Å; E820-C823 VanDerWaalsContact O-N 3.15Å; E820-A824 WeakPolarHBondContact O-CB 3.29Å; E820-A824 PolarHBondContact O-N 3.2Å; E820-H850 IonicContact OE1-CE1 3.41Å; E820-H850 IonicContact OE1-CG 2.78Å; E820-H850 IonicContact OE1-ND1 3.15Å; E820-H850 PolarHBondContact OE1-ND1 2.9Å; E820-H850 WeakPolarHBondContact OE2-CA 3.17Å; E820-H850 IonicContact OE2-ND1 3.22Å; E820-I851 HydrophobicContact CB-CD1 3.69Å; E820-I851 HydrophobicContact CB-CG1 3.82Å; E820-I851 PolarHBondContact OE2-N 2.86Å; E820-L1028 HydrophobicContact CG-CD2 3.87Å; E820-L1028 HydrophobicContact CG-CG 4.29Å
821	L	97.1	Very high	94.5	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.01	10%	0.104	C	C	.	.	H	α-helix	trans	-63.9	-34.6	178.9	-175.8	60.4	0	0	0	111.7	Y817 A819 A824 V825 I843 I851 L853 V945 I948	Y817-L821 WeakPolarHBondContact O-CB 3.45Å; Y817-L821 PolarHBondContact O-N 3.21Å; A819-L821 PolarHBondContact O-N 3.33Å; L821-A824 PolarHBondContact O-N 3.26Å; L821-V825 HydrophobicContact CD1-CG2 4Å; L821-V825 HydrophobicContact CG-CG2 4.37Å; L821-V825 WeakPolarHBondContact O-CB 3.32Å; L821-V825 WeakPolarHBondContact O-CG2 3.24Å; L821-V825 PolarHBondContact O-N 3.06Å; L821-I843 HydrophobicContact CD1-CD1 3.81Å; L821-I843 HydrophobicContact CD1-CG1 4.24Å; L821-I843 HydrophobicContact CD2-CD1 3.87Å; L821-I843 HydrophobicContact CG-CD1 4.48Å; L821-I851 HydrophobicContact CB-CD1 3.9Å; L821-I851 HydrophobicContact CD1-CD1 4.27Å; L821-L853 HydrophobicContact CD1-CD2 3.91Å; L821-V945 HydrophobicContact CD2-CB 4.42Å; L821-V945 HydrophobicContact CD2-CG1 4.22Å; L821-V945 HydrophobicContact CD2-CG2 3.93Å; L821-V945 HydrophobicContact CG-CG2 3.97Å; L821-I948 HydrophobicContact CD2-CD1 4.19Å
822	T	96.8	Very high	94.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.2	-45	173.1	-59.5	0	0	0	0	111.3	T818 A819 E820 E826 W942 A1010 I1013 K1014	T818-T822 WeakPolarHBondContact O-CB 3.48Å; T818-T822 PolarHBondContact O-N 3.48Å; T818-T822 PolarHBondContact O-OG1 2.87Å; A819-T822 WeakPolarHBondContact O-CB 3.35Å; A819-T822 PolarHBondContact O-N 3.15Å; E820-T822 VanDerWaalsContact C-N 3.27Å; E820-T822 PolarHBondContact O-N 3.44Å; T822-E826 WeakPolarHBondContact O-CB 3.49Å; T822-E826 PolarHBondContact O-N 3.29Å; T822-W942 HydrophobicContact CG2-CH2 4.37Å; T822-W942 HydrophobicContact CG2-CZ3 4.22Å; T822-A1010 HydrophobicContact CG2-CB 4.43Å; T822-I1013 HydrophobicContact CG2-CB 4.08Å; T822-I1013 HydrophobicContact CG2-CG2 3.84Å; T822-K1014 HydrophobicContact CG2-CG 4.1Å
823	C	95.1	Very high	93.7	Very high	19 Å²	19	17.5 Å²	17.5	13%	0.128	10%	0.097	C	C	.	.	H	α-helix	trans	-65.6	-38.7	174.4	-71.9	0	0	0	0	112.9	W773 A819 E820 S827	W773-C823 HydrophobicContact CD2-CB 4.46Å; W773-C823 HydrophobicContact CH2-CB 4.03Å; W773-C823 HydrophobicContact CZ2-CB 3.58Å; A819-C823 PolarHBondContact O-N 3.04Å; A819-C823 VanDerWaalsContact O-N 3.1Å; E820-C823 WeakPolarHBondContact O-CB 3.46Å; E820-C823 PolarHBondContact O-N 3.12Å; E820-C823 VanDerWaalsContact O-N 3.15Å; C823-S827 WeakPolarHBondContact O-CB 3.45Å; C823-S827 PolarHBondContact O-N 2.67Å
824	A	95.4	Very high	93.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67.5	-49.8	-179.7	0	0	0	0	0	112.5	W773 E820 L821 E826 S827 V828 I851 L853	W773-A824 HydrophobicContact CB-CB 3.76Å; W773-A824 HydrophobicContact CD2-CB 4.18Å; W773-A824 HydrophobicContact CE3-CB 4.07Å; W773-A824 HydrophobicContact CG-CB 4.1Å; E820-A824 WeakPolarHBondContact O-CB 3.29Å; E820-A824 PolarHBondContact O-N 3.2Å; L821-A824 PolarHBondContact O-N 3.26Å; A824-E826 VanDerWaalsContact C-N 3.34Å; A824-E826 PolarHBondContact O-N 3.32Å; A824-S827 WeakPolarHBondContact O-CB 3.49Å; A824-S827 PolarHBondContact O-N 3.02Å; A824-S827 VanDerWaalsContact O-N 3.14Å; A824-V828 PolarHBondContact O-N 3.27Å; A824-V828 VanDerWaalsContact O-N 3.11Å; A824-I851 HydrophobicContact CB-CD1 4.38Å; A824-L853 HydrophobicContact CB-CD1 3.72Å; A824-L853 HydrophobicContact CB-CG 4.02Å
825	V	95.1	Very high	93.2	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	10%	0.096	C	C	.	.	H	α-helix	trans	-63.9	-40.4	176.4	173.1	0	0	0	0	110.7	L821 S827 V828 H829 I838 L853 D941 W942 V945	L821-V825 HydrophobicContact CD1-CG2 4Å; L821-V825 HydrophobicContact CG-CG2 4.37Å; L821-V825 WeakPolarHBondContact O-CB 3.32Å; L821-V825 WeakPolarHBondContact O-CG2 3.24Å; L821-V825 PolarHBondContact O-N 3.06Å; V825-S827 VanDerWaalsContact C-N 3.28Å; V825-S827 PolarHBondContact O-N 2.95Å; V825-V828 PolarHBondContact O-N 2.91Å; V825-H829 VanDerWaalsContact CG1-CE1 3.48Å; V825-H829 WeakPolarHBondContact CG1-CE1 3.3Å; V825-H829 WeakPolarHBondContact CG1-NE2 3.44Å; V825-H829 PolarHBondContact O-CD2 2.83Å; V825-H829 PolarHBondContact O-N 3.32Å; V825-I838 HydrophobicContact CG2-CD1 3.79Å; V825-I838 HydrophobicContact CG2-CG1 4.23Å; V825-L853 HydrophobicContact CG2-CD1 4.44Å; V825-D941 HydrophobicContact CG1-CB 3.76Å; V825-W942 HydrophobicContact CB-CE3 4.45Å; V825-W942 HydrophobicContact CB-CH2 3.84Å; V825-W942 HydrophobicContact CB-CZ3 3.65Å; V825-W942 HydrophobicContact CG1-CD2 4.44Å; V825-W942 HydrophobicContact CG1-CE3 3.96Å; V825-W942 HydrophobicContact CG1-CH2 3.61Å; V825-W942 HydrophobicContact CG1-CZ2 4.13Å; V825-W942 HydrophobicContact CG1-CZ3 3.52Å; V825-V945 HydrophobicContact CG2-CG2 4.21Å
826	E	94.4	Very high	92.9	Very high	24 Å²	24	17.1 Å²	17.1	11%	0.112	9%	0.094	C	C	.	.	H	α-helix	trans	-59.9	-38.8	173.3	-171.1	-163	-145.9	0	0	111.9	T822 A824 H829 K830 W942 A1010 K1014	T822-E826 WeakPolarHBondContact O-CB 3.49Å; T822-E826 PolarHBondContact O-N 3.29Å; A824-E826 VanDerWaalsContact C-N 3.34Å; A824-E826 PolarHBondContact O-N 3.32Å; E826-H829 PolarHBondContact O-N 2.91Å; E826-K830 HydrophobicContact CG-CD 4Å; E826-K830 HydrophobicContact CG-CG 4.4Å; E826-K830 WeakPolarHBondContact O-CB 3.35Å; E826-K830 VanDerWaalsContact O-CG 3.31Å; E826-K830 WeakPolarHBondContact O-CG 3.45Å; E826-K830 PolarHBondContact O-N 3.25Å; E826-K830 VanDerWaalsContact OE1-CE 3.27Å; E826-K830 WeakPolarHBondContact OE1-CE 3.33Å; E826-K830 IonicContact OE1-NZ 2.68Å; E826-K830 PolarHBondContact OE1-NZ 3.13Å; E826-K830 IonicContact OE2-NZ 3.56Å; E826-K830 PolarHBondContact OE2-NZ 2.91Å; E826-W942 HydrophobicContact CB-CH2 4.22Å; E826-A1010 HydrophobicContact CB-CB 3.84Å; E826-A1010 HydrophobicContact CG-CB 3.62Å; E826-K1014 IonicContact OE1-NZ 3.99Å; E826-K1014 PolarHBondContact OE1-NZ 2.72Å; E826-K1014 IonicContact OE2-NZ 3.57Å; E826-K1014 PolarHBondContact OE2-NZ 3.27Å
827	S	92.3	Very high	92.7	Very high	22 Å²	22	17.4 Å²	17.4	15%	0.154	10%	0.096	C	C	.	.	H	α-helix	trans	-63	-43.1	176.5	-160.2	0	0	0	0	111.8	N771 C823 A824 V825 K830 M831	N771-S827 PolarHBondContact ND2-OG 2.83Å; C823-S827 WeakPolarHBondContact O-CB 3.45Å; C823-S827 PolarHBondContact O-N 2.67Å; A824-S827 WeakPolarHBondContact O-CB 3.49Å; A824-S827 PolarHBondContact O-N 3.02Å; A824-S827 VanDerWaalsContact O-N 3.14Å; V825-S827 VanDerWaalsContact C-N 3.28Å; V825-S827 PolarHBondContact O-N 2.95Å; S827-K830 PolarHBondContact O-N 2.97Å; S827-M831 WeakPolarHBondContact O-CG 2.84Å; S827-M831 PolarHBondContact O-N 3.28Å
828	V	91.4	Very high	92.6	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	10%	0.096	C	C	.	.	H	α-helix	trans	-61.5	-44.6	174.3	177.6	0	0	0	0	111.2	V774 A824 V825 M831 F833 L853 F856	V774-V828 HydrophobicContact CG2-CG2 4.1Å; A824-V828 PolarHBondContact O-N 3.27Å; A824-V828 VanDerWaalsContact O-N 3.11Å; V825-V828 PolarHBondContact O-N 2.91Å; V828-M831 HydrophobicContact CG2-CE 4.43Å; V828-M831 PolarHBondContact O-N 2.85Å; V828-F833 CarbonylContact C-O 3.59Å; V828-F833 HydrophobicContact CG1-CB 3.88Å; V828-F833 PolarHBondContact O-N 3.15Å; V828-L853 HydrophobicContact CG2-CD1 3.95Å; V828-F856 HydrophobicContact CG2-CE1 4.04Å
829	H	90.9	Very high	92.4	Very high	17 Å²	17	18.7 Å²	18.7	8%	0.079	10%	0.101	C	C	.	.	H	α-helix	trans	-64.8	-39.5	177.2	-68.1	-176.7	0	0	0	112.7	V825 E826 M831 G832 F833 Q938 D941 W942	V825-H829 VanDerWaalsContact CG1-CE1 3.48Å; V825-H829 WeakPolarHBondContact CG1-CE1 3.3Å; V825-H829 WeakPolarHBondContact CG1-NE2 3.44Å; V825-H829 PolarHBondContact O-CD2 2.83Å; V825-H829 PolarHBondContact O-N 3.32Å; E826-H829 PolarHBondContact O-N 2.91Å; H829-M831 PolarHBondContact O-N 3.49Å; H829-G832 WeakPolarHBondContact O-CA 3.21Å; H829-G832 PolarHBondContact O-N 3.45Å; H829-F833 WeakPolarHBondContact CA-O 3.36Å; H829-F833 PolarHBondContact CD2-O 3.43Å; H829-Q938 PolarHBondContact CE1-O 3.42Å; H829-Q938 PolarHBondContact ND1-NE2 3.07Å; H829-D941 IonicContact CD2-OD2 2.7Å; H829-D941 IonicContact CE1-OD2 3.27Å; H829-D941 IonicContact NE2-OD2 3.97Å; H829-D941 PolarHBondContact NE2-OD2 3Å; H829-W942 AromaticContact CE1-CE2 3.89Å; H829-W942 AromaticContact CE1-CZ2 3.92Å; H829-W942 AromaticContact ND1-CE2 3.99Å; H829-W942 AromaticContact ND1-CZ2 3.72Å
830	K	89.6	Confident	92.3	Very high	144 Å²	144	18.7 Å²	18.7	63%	0.626	10%	0.101	S	C	*	.	H	α-helix	trans	-64.7	-25	176.3	-79.2	171	176.9	169.2	0	113.1	E826 S827 G832	E826-K830 HydrophobicContact CG-CD 4Å; E826-K830 HydrophobicContact CG-CG 4.4Å; E826-K830 WeakPolarHBondContact O-CB 3.35Å; E826-K830 VanDerWaalsContact O-CG 3.31Å; E826-K830 WeakPolarHBondContact O-CG 3.45Å; E826-K830 PolarHBondContact O-N 3.25Å; E826-K830 VanDerWaalsContact OE1-CE 3.27Å; E826-K830 WeakPolarHBondContact OE1-CE 3.33Å; E826-K830 IonicContact OE1-NZ 2.68Å; E826-K830 PolarHBondContact OE1-NZ 3.13Å; E826-K830 IonicContact OE2-NZ 3.56Å; E826-K830 PolarHBondContact OE2-NZ 2.91Å; S827-K830 PolarHBondContact O-N 2.97Å; K830-G832 VanDerWaalsContact C-N 3.26Å
831	M	85.4	Confident	92	Very high	52 Å²	52	22 Å²	22	26%	0.256	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-1.2	171	-64.6	-176.7	-62.2	0	0	113.3	A769 N771 V774 S827 V828 H829 F833	A769-M831 HydrophobicContact CB-CE 4.06Å; A769-M831 HydrophobicContact CB-SD 4.06Å; N771-M831 WeakPolarHBondContact ND2-CE 3.22Å; V774-M831 HydrophobicContact CG2-CE 4.32Å; S827-M831 WeakPolarHBondContact O-CG 2.84Å; S827-M831 PolarHBondContact O-N 3.28Å; V828-M831 HydrophobicContact CG2-CE 4.43Å; V828-M831 PolarHBondContact O-N 2.85Å; H829-M831 PolarHBondContact O-N 3.49Å; M831-F833 HydrophobicContact CB-CD2 3.66Å; M831-F833 HydrophobicContact CB-CE2 3.98Å; M831-F833 WeakPolarHBondContact O-CD2 3.38Å; M831-F833 WeakPolarHBondContact O-CE2 3.49Å
832	G	85.3	Confident	91.9	Very high	45 Å²	45	22.3 Å²	22.3	46%	0.464	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	13.8	179.2	0	0	0	0	0	114.7	H829 K830 G861	H829-G832 WeakPolarHBondContact O-CA 3.21Å; H829-G832 PolarHBondContact O-N 3.45Å; K830-G832 VanDerWaalsContact C-N 3.26Å; G832-G861 WeakPolarHBondContact O-CA 3.27Å
833	F	87.3	Confident	91.8	Very high	7 Å²	7	22.3 Å²	22.3	3%	0.031	12%	0.121	C	C	.	.			trans	-108.3	151.4	-179.1	-58.6	-72.1	0	0	0	112.2	I765 V828 H829 M831 T860 H866	I765-F833 HydrophobicContact CD1-CB 4.12Å; I765-F833 HydrophobicContact CD1-CD1 3.66Å; I765-F833 HydrophobicContact CD1-CE1 4.21Å; I765-F833 HydrophobicContact CD1-CG 3.86Å; I765-F833 HydrophobicContact CG1-CB 4.35Å; I765-F833 HydrophobicContact CG1-CD1 3.42Å; I765-F833 VanDerWaalsContact CG1-CD1 3.42Å; I765-F833 HydrophobicContact CG1-CD2 3.86Å; I765-F833 HydrophobicContact CG1-CE1 3.53Å; I765-F833 HydrophobicContact CG1-CE2 3.95Å; I765-F833 HydrophobicContact CG1-CG 3.61Å; I765-F833 HydrophobicContact CG1-CZ 3.8Å; I765-F833 HydrophobicContact CG2-CD2 4.35Å; V828-F833 CarbonylContact C-O 3.59Å; V828-F833 HydrophobicContact CG1-CB 3.88Å; V828-F833 PolarHBondContact O-N 3.15Å; H829-F833 WeakPolarHBondContact CA-O 3.36Å; H829-F833 PolarHBondContact CD2-O 3.43Å; M831-F833 HydrophobicContact CB-CD2 3.66Å; M831-F833 HydrophobicContact CB-CE2 3.98Å; M831-F833 WeakPolarHBondContact O-CD2 3.38Å; M831-F833 WeakPolarHBondContact O-CE2 3.49Å; F833-T860 CarbonylContact C-O 3.44Å; F833-T860 WeakPolarHBondContact CA-O 3.27Å; F833-H866 AromaticContact CE1-CE1 3.2Å; F833-H866 WeakPolarHBondContact CE1-CE1 3.28Å
834	I	89.6	Confident	91.9	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.021	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-113.8	134.9	169.3	-52.1	174.5	0	0	0	107.7	R836 C859 T860 F862 Q938 D941	I834-R836 HydrophobicContact CB-CG 4.13Å; I834-R836 HydrophobicContact CG2-CG 3.59Å; I834-C859 VanDerWaalsContact O-CA 3.23Å; I834-C859 WeakPolarHBondContact O-CA 3.49Å; I834-C859 VanDerWaalsContact O-CB 3.3Å; I834-C859 WeakPolarHBondContact O-CB 3.23Å; I834-T860 HydrophobicContact CB-CG2 4.22Å; I834-T860 HydrophobicContact CD1-CG2 4.45Å; I834-T860 PolarHBondContact N-O 2.79Å; I834-T860 PolarHBondContact O-N 3.2Å; I834-F862 HydrophobicContact CD1-CE2 3.65Å; I834-F862 HydrophobicContact CD1-CZ 3.44Å; I834-F862 VanDerWaalsContact CD1-CZ 3.44Å; I834-F862 HydrophobicContact CG1-CE2 4.26Å; I834-F862 HydrophobicContact CG1-CZ 4.49Å; I834-Q938 HydrophobicContact CD1-CB 4.25Å; I834-Q938 HydrophobicContact CG1-CB 3.89Å; I834-D941 WeakPolarHBondContact CG2-OD2 3.46Å
835	H	91.6	Very high	91.9	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.122	C	C	.	.			trans	-80.3	-43.9	-172.8	-163.5	-45.6	0	0	0	113.1	D837 I838 T854 F856 C859 D941	H835-D837 PolarHBondContact O-N 2.63Å; H835-D837 VanDerWaalsContact O-N 3.1Å; H835-I838 HydrophobicContact CB-CD1 3.85Å; H835-I838 HydrophobicContact CB-CG1 3.83Å; H835-I838 WeakPolarHBondContact CD2-CD1 3.17Å; H835-T854 PolarHBondContact NE2-O 3.35Å; H835-F856 AromaticContact CD2-CE1 3.75Å; H835-F856 AromaticContact NE2-CE1 3.82Å; H835-C859 VanDerWaalsContact CA-SG 3.55Å; H835-C859 PolarHBondContact O-SG 2.8Å; H835-D941 PolarHBondContact N-OD1 2.95Å; H835-D941 PolarHBondContact N-OD2 2.98Å
836	R	90.5	Very high	91.9	Very high	19 Å²	19	22.9 Å²	22.9	7%	0.072	12%	0.122	C	C	.	.	S	Bend	trans	63.8	3.8	174.4	-47.7	-167.6	-68	176.1	-3.1	117.5	I834 L858 C859 V920 G921 Y936 D941	I834-R836 HydrophobicContact CB-CG 4.13Å; I834-R836 HydrophobicContact CG2-CG 3.59Å; R836-L858 PolarHBondContact NE-O 3.17Å; R836-L858 PolarHBondContact NH2-O 2.64Å; R836-C859 PolarHBondContact NH2-O 2.92Å; R836-V920 HydrophobicContact CB-CG2 3.93Å; R836-G921 WeakPolarHBondContact O-CA 3.46Å; R836-Y936 VanDerWaalsContact CD-OH 3.28Å; R836-Y936 WeakPolarHBondContact CD-OH 3.46Å; R836-Y936 HydrophobicContact CG-CE2 4.14Å; R836-Y936 PolarHBondContact NH1-OH 3.25Å; R836-D941 PolarHBondContact N-OD1 3.41Å
837	D	90.9	Very high	91.8	Very high	7 Å²	7	26 Å²	26	4%	0.037	13%	0.133	C	C	.	.			trans	-152.7	49.9	173.8	-162.6	43.5	0	0	0	110.1	H835 K839 N842 L858 G921 T922	H835-D837 PolarHBondContact O-N 2.63Å; H835-D837 VanDerWaalsContact O-N 3.1Å; D837-K839 PolarHBondContact O-N 3.1Å; D837-K839 IonicContact OD1-NZ 3.38Å; D837-K839 IonicContact OD2-NZ 3.7Å; D837-K839 PolarHBondContact OD2-NZ 3.3Å; D837-N842 PolarHBondContact O-ND2 3.06Å; D837-N842 PolarHBondContact OD2-ND2 3.17Å; D837-L858 HydrophobicContact CB-CB 4.2Å; D837-L858 HydrophobicContact CB-CD1 3.87Å; D837-G921 WeakPolarHBondContact OD1-CA 3.48Å; D837-T922 WeakPolarHBondContact OD1-CB 3.22Å; D837-T922 PolarHBondContact OD1-N 2.57Å; D837-T922 PolarHBondContact OD1-OG1 2.79Å
838	I	95.3	Very high	91.8	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.14	C	C	.	.			trans	-71.6	117.3	170.1	-68.5	-68.2	0	0	0	107.8	V825 H835 L853 Y925 D941 S944 V945 I948	V825-I838 HydrophobicContact CG2-CD1 3.79Å; V825-I838 HydrophobicContact CG2-CG1 4.23Å; H835-I838 HydrophobicContact CB-CD1 3.85Å; H835-I838 HydrophobicContact CB-CG1 3.83Å; H835-I838 WeakPolarHBondContact CD2-CD1 3.17Å; I838-L853 HydrophobicContact CD1-CD1 4.3Å; I838-L853 HydrophobicContact CD1-CD2 3.94Å; I838-Y925 WeakPolarHBondContact O-CB 3.47Å; I838-D941 HydrophobicContact CG1-CB 4.22Å; I838-S944 WeakPolarHBondContact O-CB 3.44Å; I838-V945 HydrophobicContact CG2-CG2 4.43Å; I838-I948 HydrophobicContact CG2-CD1 3.58Å
839	K	93.8	Very high	91.9	Very high	27 Å²	27	27.6 Å²	27.6	12%	0.117	14%	0.14	C	C	.	.			trans	-159.2	161.2	-177.6	65.9	-171.9	-167.3	-148.7	0	109.6	D837 D841 N842 T922 Y925	D837-K839 PolarHBondContact O-N 3.1Å; D837-K839 IonicContact OD1-NZ 3.38Å; D837-K839 IonicContact OD2-NZ 3.7Å; D837-K839 PolarHBondContact OD2-NZ 3.3Å; K839-D841 VanDerWaalsContact C-N 3.27Å; K839-D841 HydrophobicContact CD-CB 4.43Å; K839-D841 VanDerWaalsContact CD-OD2 3.23Å; K839-D841 WeakPolarHBondContact CD-OD2 3.37Å; K839-D841 WeakPolarHBondContact CE-OD2 3.43Å; K839-D841 HydrophobicContact CG-CB 4.28Å; K839-D841 VanDerWaalsContact CG-OD2 3.23Å; K839-D841 WeakPolarHBondContact CG-OD2 3.22Å; K839-D841 PolarHBondContact O-N 2.88Å; K839-N842 WeakPolarHBondContact CE-ND2 3.41Å; K839-N842 WeakPolarHBondContact CE-OD1 3.42Å; K839-N842 HydrophobicContact CG-CB 4.05Å; K839-N842 PolarHBondContact O-N 3.06Å; K839-T922 HydrophobicContact CD-CG2 4.32Å; K839-T922 VanDerWaalsContact CD-OG1 3.31Å; K839-T922 WeakPolarHBondContact CD-OG1 3.34Å; K839-T922 PolarHBondContact NZ-OG1 2.93Å; K839-Y925 HydrophobicContact CB-CD1 4.34Å; K839-Y925 HydrophobicContact CB-CD2 3.66Å; K839-Y925 HydrophobicContact CB-CE1 4.41Å; K839-Y925 HydrophobicContact CB-CE2 3.71Å; K839-Y925 HydrophobicContact CB-CG 3.99Å
840	P	94	Very high	92.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-58.4	-34.1	-176.7	-24.5	35.4	0	0	0	114.1	M799 M800 N842 I843 Y925 I948 E951	M799-P840 HydrophobicContact CB-CB 4.16Å; M799-P840 WeakPolarHBondContact CB-O 3.44Å; M799-P840 HydrophobicContact CG-CB 4.25Å; M799-P840 PolarHBondContact N-O 3.37Å; M800-P840 HydrophobicContact CB-CB 3.9Å; M800-P840 PolarHBondContact N-O 3.27Å; M800-P840 HydrophobicContact SD-CB 4.17Å; M800-P840 HydrophobicContact SD-CG 4.42Å; P840-N842 PolarHBondContact O-N 3.47Å; P840-I843 PolarHBondContact O-N 3.09Å; P840-Y925 VanDerWaalsContact CD-CZ 3.49Å; P840-Y925 WeakPolarHBondContact CD-OH 3.4Å; P840-Y925 HydrophobicContact CG-CE1 4.31Å; P840-I948 HydrophobicContact CG-CG1 4.34Å; P840-E951 WeakPolarHBondContact CG-OE2 3.07Å
841	D	90	Very high	92.4	Very high	68 Å²	68	20.3 Å²	20.3	36%	0.364	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-63	-28.5	178.3	-28.9	-116.2	0	0	0	112.7	K839	K839-D841 VanDerWaalsContact C-N 3.27Å; K839-D841 HydrophobicContact CD-CB 4.43Å; K839-D841 VanDerWaalsContact CD-OD2 3.23Å; K839-D841 WeakPolarHBondContact CD-OD2 3.37Å; K839-D841 WeakPolarHBondContact CE-OD2 3.43Å; K839-D841 HydrophobicContact CG-CB 4.28Å; K839-D841 VanDerWaalsContact CG-OD2 3.23Å; K839-D841 WeakPolarHBondContact CG-OD2 3.22Å; K839-D841 PolarHBondContact O-N 2.88Å
842	N	94.3	Very high	92.9	Very high	9 Å²	9	18.8 Å²	18.8	5%	0.048	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-94.4	6.4	-177.5	-70.9	-6.6	0	0	0	112.7	D837 K839 P840 T854	D837-N842 PolarHBondContact O-ND2 3.06Å; D837-N842 PolarHBondContact OD2-ND2 3.17Å; K839-N842 WeakPolarHBondContact CE-ND2 3.41Å; K839-N842 WeakPolarHBondContact CE-OD1 3.42Å; K839-N842 HydrophobicContact CG-CB 4.05Å; K839-N842 PolarHBondContact O-N 3.06Å; P840-N842 PolarHBondContact O-N 3.47Å; N842-T854 PolarHBondContact O-N 2.9Å
843	I	96.7	Very high	93.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	100.8	177.2	-57.7	167.1	0	0	0	107.7	D798 M799 L821 P840 I851 L853 I948	D798-I843 CarbonylContact C-O 3.57Å; D798-I843 WeakPolarHBondContact CA-O 3.39Å; M799-I843 HydrophobicContact CB-CB 4.04Å; M799-I843 HydrophobicContact CB-CG2 4.28Å; M799-I843 HydrophobicContact CE-CB 4.5Å; M799-I843 HydrophobicContact CE-CG2 3.72Å; M799-I843 PolarHBondContact N-O 3.47Å; M799-I843 HydrophobicContact SD-CB 4.46Å; M799-I843 HydrophobicContact SD-CD1 4.01Å; M799-I843 HydrophobicContact SD-CG2 4.29Å; L821-I843 HydrophobicContact CD1-CD1 3.81Å; L821-I843 HydrophobicContact CD1-CG1 4.24Å; L821-I843 HydrophobicContact CD2-CD1 3.87Å; L821-I843 HydrophobicContact CG-CD1 4.48Å; P840-I843 PolarHBondContact O-N 3.09Å; I843-I851 HydrophobicContact CG2-CB 3.73Å; I843-I851 HydrophobicContact CG2-CD1 4.17Å; I843-I851 HydrophobicContact CG2-CG1 4.48Å; I843-I851 HydrophobicContact CG2-CG2 3.79Å; I843-L853 HydrophobicContact CG1-CD2 3.96Å; I843-I948 HydrophobicContact CD1-CD1 3.88Å
844	L	96.4	Very high	93.6	Very high	29 Å²	29	17.3 Å²	17.3	15%	0.152	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	152.8	177.2	-53.2	-175.3	0	0	0	111	V775 I794 G797 D798 I851 K852 T854	V775-L844 HydrophobicContact CG2-CD1 3.99Å; I794-L844 HydrophobicContact CB-CB 4.22Å; I794-L844 HydrophobicContact CB-CD1 4.03Å; I794-L844 HydrophobicContact CG1-CD1 4.09Å; I794-L844 HydrophobicContact CG2-CB 3.65Å; I794-L844 HydrophobicContact CG2-CD1 4.38Å; G797-L844 CarbonylContact O-C 3.21Å; G797-L844 WeakPolarHBondContact O-CA 3.39Å; D798-L844 HydrophobicContact CB-CD2 3.8Å; L844-I851 CarbonylContact O-C 3.58Å; L844-I851 WeakPolarHBondContact O-CA 3.45Å; L844-K852 PolarHBondContact N-O 2.75Å; L844-K852 PolarHBondContact O-N 3.31Å; L844-T854 HydrophobicContact CD1-CG2 3.95Å; L844-T854 HydrophobicContact CD2-CG2 3.96Å; L844-T854 HydrophobicContact CG-CG2 3.69Å
845	I	95.6	Very high	93.4	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.1	179	-57	175.8	0	0	0	108.9	I794 G796 G797 L802 P1037	I794-I845 VanDerWaalsContact CG2-C 3.49Å; I794-I845 WeakPolarHBondContact CG2-O 3.49Å; G796-I845 CarbonylContact C-O 3.49Å; G796-I845 WeakPolarHBondContact CA-O 3.43Å; G796-I845 PolarHBondContact N-O 2.9Å; G796-I845 VanDerWaalsContact N-O 3.13Å; G797-I845 PolarHBondContact O-N 3.22Å; L802-I845 HydrophobicContact CB-CD1 4.26Å; L802-I845 HydrophobicContact CD2-CD1 3.46Å; L802-I845 VanDerWaalsContact CD2-CD1 3.46Å; L802-I845 HydrophobicContact CG-CD1 4.49Å; I845-P1037 HydrophobicContact CG2-CG 4.33Å
846	D	93.7	Very high	93	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.016	9%	0.094	C	C	.	.			trans	-81.6	172.5	179.7	71	40.9	0	0	0	113.6	I794 D848 G849 H850 K852 R1029 P1037	I794-D846 HydrophobicContact CG2-CB 4.24Å; D846-D848 PolarHBondContact O-N 3.46Å; D846-D848 VanDerWaalsContact O-N 3.11Å; D846-D848 PolarHBondContact OD1-N 2.88Å; D846-G849 PolarHBondContact O-N 2.86Å; D846-G849 PolarHBondContact OD1-N 2.95Å; D846-H850 VanDerWaalsContact CG-O 3.24Å; D846-H850 PolarHBondContact N-O 3.28Å; D846-H850 PolarHBondContact OD1-N 3.45Å; D846-K852 WeakPolarHBondContact OD2-CE 3.41Å; D846-R1029 IonicContact OD2-CZ 2.72Å; D846-R1029 IonicContact OD2-NH2 3.77Å; D846-R1029 PolarHBondContact OD2-NH2 3.35Å; D846-P1037 VanDerWaalsContact O-CG 3.25Å; D846-P1037 WeakPolarHBondContact O-CG 3.33Å
847	R	92.4	Very high	92.2	Very high	89 Å²	89	19 Å²	19	34%	0.336	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.6	-175.4	60.1	140.9	-137.2	-137.5	-8.8	114.4	P795 I1039 N1101	P795-R847 HydrophobicContact CG-CB 4.11Å; R847-I1039 HydrophobicContact CB-CD1 3.63Å; R847-N1101 HydrophobicContact CG-CB 4.15Å; R847-N1101 VanDerWaalsContact NH1-C 3.27Å; R847-N1101 VanDerWaalsContact NH1-CA 3.33Å; R847-N1101 PolarHBondContact NH1-O 2.93Å; R847-N1101 PolarHBondContact NH2-OD1 3.42Å; R847-N1101 VanDerWaalsContact NH2-OD1 3.07Å
848	D	92.8	Very high	91.6	Very high	56 Å²	56	20.4 Å²	20.4	30%	0.299	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-2.7	180	-56.6	-51.4	0	0	0	111.1	D846 N1101	D846-D848 PolarHBondContact O-N 3.46Å; D846-D848 VanDerWaalsContact O-N 3.11Å; D846-D848 PolarHBondContact OD1-N 2.88Å; D848-N1101 PolarHBondContact OD2-ND2 3.16Å
849	G	93.9	Very high	90.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	96.7	1.9	175.3	0	0	0	0	0	115.3	Y817 D846 A1033 Y1035	Y817-G849 WeakPolarHBondContact CE1-O 3.49Å; Y817-G849 PolarHBondContact OH-O 3.45Å; Y817-G849 VanDerWaalsContact OH-O 3.04Å; D846-G849 PolarHBondContact O-N 2.86Å; D846-G849 PolarHBondContact OD1-N 2.95Å; G849-A1033 WeakPolarHBondContact O-CB 3.4Å; G849-Y1035 WeakPolarHBondContact CA-O 3.4Å
850	H	95.6	Very high	90.1	Very high	9 Å²	9	19.7 Å²	19.7	4%	0.042	10%	0.1	C	C	.	.			trans	-93.5	152.4	-175.3	-64.3	-88.3	0	0	0	112.5	F816 E820 D846 Q1031	F816-H850 AromaticContact CZ-CE1 3.79Å; F816-H850 AromaticContact CZ-ND1 3.77Å; E820-H850 IonicContact OE1-CE1 3.41Å; E820-H850 IonicContact OE1-CG 2.78Å; E820-H850 IonicContact OE1-ND1 3.15Å; E820-H850 PolarHBondContact OE1-ND1 2.9Å; E820-H850 WeakPolarHBondContact OE2-CA 3.17Å; E820-H850 IonicContact OE2-ND1 3.22Å; D846-H850 VanDerWaalsContact CG-O 3.24Å; D846-H850 PolarHBondContact N-O 3.28Å; D846-H850 PolarHBondContact OD1-N 3.45Å; H850-Q1031 PolarHBondContact CE1-O 2.93Å; H850-Q1031 PolarHBondContact NE2-O 3.31Å
851	I	95.8	Very high	88.4	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	156.3	-175.6	75	176.9	0	0	0	114	W773 M799 Y817 E820 L821 A824 I843 L844 R1029	W773-I851 HydrophobicContact CE3-CG1 4.5Å; M799-I851 HydrophobicContact CE-CG2 4.02Å; Y817-I851 HydrophobicContact CD1-CG2 3.51Å; Y817-I851 HydrophobicContact CE1-CG2 3.77Å; Y817-I851 HydrophobicContact CG-CG2 4.36Å; E820-I851 HydrophobicContact CB-CD1 3.69Å; E820-I851 HydrophobicContact CB-CG1 3.82Å; E820-I851 PolarHBondContact OE2-N 2.86Å; L821-I851 HydrophobicContact CB-CD1 3.9Å; L821-I851 HydrophobicContact CD1-CD1 4.27Å; A824-I851 HydrophobicContact CB-CD1 4.38Å; I843-I851 HydrophobicContact CG2-CB 3.73Å; I843-I851 HydrophobicContact CG2-CD1 4.17Å; I843-I851 HydrophobicContact CG2-CG1 4.48Å; I843-I851 HydrophobicContact CG2-CG2 3.79Å; L844-I851 CarbonylContact O-C 3.58Å; L844-I851 WeakPolarHBondContact O-CA 3.45Å; I851-R1029 PolarHBondContact O-NH1 2.94Å
852	K	95.3	Very high	87.2	Confident	19 Å²	19	20.7 Å²	20.7	8%	0.083	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	134.5	164.8	-65.8	-179.5	-175.9	-71.4	0	111	E772 W773 V775 I794 L844 D846	E772-K852 PolarHBondContact O-NZ 2.9Å; W773-K852 CarbonylContact O-C 3.57Å; W773-K852 WeakPolarHBondContact O-CA 3.36Å; V775-K852 HydrophobicContact CG2-CB 4.03Å; I794-K852 HydrophobicContact CD1-CD 3.67Å; I794-K852 HydrophobicContact CG1-CD 4.43Å; L844-K852 PolarHBondContact N-O 2.75Å; L844-K852 PolarHBondContact O-N 3.31Å; D846-K852 WeakPolarHBondContact OD2-CE 3.41Å
853	L	95.7	Very high	85.9	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	141.9	176.9	-65.9	176.1	0	0	0	112	W773 V775 L821 A824 V825 V828 I838 I843 F856	W773-L853 PolarHBondContact O-N 2.74Å; V775-L853 WeakPolarHBondContact CG2-O 3.37Å; V775-L853 PolarHBondContact N-O 2.84Å; V775-L853 VanDerWaalsContact N-O 3.12Å; L821-L853 HydrophobicContact CD1-CD2 3.91Å; A824-L853 HydrophobicContact CB-CD1 3.72Å; A824-L853 HydrophobicContact CB-CG 4.02Å; V825-L853 HydrophobicContact CG2-CD1 4.44Å; V828-L853 HydrophobicContact CG2-CD1 3.95Å; I838-L853 HydrophobicContact CD1-CD1 4.3Å; I838-L853 HydrophobicContact CD1-CD2 3.94Å; I843-L853 HydrophobicContact CG1-CD2 3.96Å; L853-F856 HydrophobicContact CB-CE2 4.46Å; L853-F856 HydrophobicContact CB-CZ 3.73Å; L853-F856 WeakPolarHBondContact O-CE2 3.32Å
854	T	92.3	Very high	84	Confident	21 Å²	21	28.6 Å²	28.6	13%	0.129	14%	0.135	C	C	.	.			trans	-138.3	178.8	179.4	-161.8	0	0	0	0	112.8	H835 N842 L844	H835-T854 PolarHBondContact NE2-O 3.35Å; N842-T854 PolarHBondContact O-N 2.9Å; L844-T854 HydrophobicContact CD1-CG2 3.95Å; L844-T854 HydrophobicContact CD2-CG2 3.96Å; L844-T854 HydrophobicContact CG-CG2 3.69Å
855	D	84.1	Confident	82.6	Confident	51 Å²	51	27.4 Å²	27.4	27%	0.273	13%	0.129	S	C	.	.			trans	50.8	61.9	-178.5	-157.7	39.8	0	0	0	115.5	K743 G857	K743-D855 IonicContact NZ-OD1 3.6Å; K743-D855 PolarHBondContact NZ-OD1 2.76Å; D855-G857 PolarHBondContact O-N 2.8Å
856	F	84.4	Confident	81.5	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-72.8	16.5	177.4	-62.2	-93	0	0	0	114.2	E762 I765 L766 V774 V828 H835 L853 L858 C859	E762-F856 HydrophobicContact CB-CB 4.44Å; E762-F856 HydrophobicContact CG-CB 4.34Å; E762-F856 PolarHBondContact N-O 3.03Å; I765-F856 HydrophobicContact CB-CB 4.33Å; I765-F856 HydrophobicContact CB-CD1 4.43Å; I765-F856 HydrophobicContact CB-CG 4.44Å; I765-F856 HydrophobicContact CD1-CB 4.22Å; I765-F856 HydrophobicContact CD1-CD1 4.37Å; I765-F856 HydrophobicContact CG2-CB 4.35Å; I765-F856 HydrophobicContact CG2-CD1 3.59Å; I765-F856 HydrophobicContact CG2-CE1 4.05Å; I765-F856 HydrophobicContact CG2-CG 3.93Å; L766-F856 HydrophobicContact CD2-CD2 3.48Å; L766-F856 VanDerWaalsContact CD2-CD2 3.48Å; L766-F856 HydrophobicContact CD2-CE2 3.65Å; L766-F856 HydrophobicContact CD2-CG 4.49Å; L766-F856 HydrophobicContact CG-CD2 3.95Å; V774-F856 HydrophobicContact CB-CZ 4.29Å; V774-F856 HydrophobicContact CG1-CE2 3.66Å; V774-F856 HydrophobicContact CG1-CZ 3.62Å; V774-F856 HydrophobicContact CG2-CE1 4.48Å; V774-F856 HydrophobicContact CG2-CZ 3.9Å; V828-F856 HydrophobicContact CG2-CE1 4.04Å; H835-F856 AromaticContact CD2-CE1 3.75Å; H835-F856 AromaticContact NE2-CE1 3.82Å; L853-F856 HydrophobicContact CB-CE2 4.46Å; L853-F856 HydrophobicContact CB-CZ 3.73Å; L853-F856 WeakPolarHBondContact O-CE2 3.32Å; F856-L858 VanDerWaalsContact C-N 3.33Å; F856-L858 PolarHBondContact O-N 3.32Å; F856-C859 WeakPolarHBondContact CA-SG 3.42Å; F856-C859 HydrophobicContact CB-CB 4.39Å; F856-C859 VanDerWaalsContact CD1-SG 3.53Å; F856-C859 WeakPolarHBondContact O-CB 3.38Å; F856-C859 PolarHBondContact O-N 2.96Å; F856-C859 PolarHBondContact O-SG 2.72Å; F856-C859 VanDerWaalsContact O-SG 3.39Å
857	G	74.1	Confident	80.3	Confident	9 Å²	9	30.2 Å²	30.2	9%	0.093	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-60	-39.5	-178.7	0	0	0	0	0	113	H758 D855	H758-G857 WeakPolarHBondContact CA-O 3.17Å; H758-G857 WeakPolarHBondContact CB-O 3.23Å; H758-G857 PolarHBondContact CD2-O 2.98Å; D855-G857 PolarHBondContact O-N 2.8Å
858	L	78.1	Confident	79.3	Confident	36 Å²	36	27.1 Å²	27.1	19%	0.188	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-88.1	3.1	179.7	-66.5	-179.3	0	0	0	114.2	R836 D837 F856 V920	R836-L858 PolarHBondContact NE-O 3.17Å; R836-L858 PolarHBondContact NH2-O 2.64Å; D837-L858 HydrophobicContact CB-CB 4.2Å; D837-L858 HydrophobicContact CB-CD1 3.87Å; F856-L858 VanDerWaalsContact C-N 3.33Å; F856-L858 PolarHBondContact O-N 3.32Å; L858-V920 HydrophobicContact CD1-CB 4.39Å; L858-V920 HydrophobicContact CD2-CB 4.19Å; L858-V920 HydrophobicContact CD2-CG1 4.16Å
859	C	80.1	Confident	78.2	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.145	C	C	.	.			trans	-71.5	171.8	-175.9	-58.8	0	0	0	0	113.8	I765 I834 H835 R836 F856	I765-C859 HydrophobicContact CD1-CB 3.22Å; I834-C859 VanDerWaalsContact O-CA 3.23Å; I834-C859 WeakPolarHBondContact O-CA 3.49Å; I834-C859 VanDerWaalsContact O-CB 3.3Å; I834-C859 WeakPolarHBondContact O-CB 3.23Å; H835-C859 VanDerWaalsContact CA-SG 3.55Å; H835-C859 PolarHBondContact O-SG 2.8Å; R836-C859 PolarHBondContact NH2-O 2.92Å; F856-C859 WeakPolarHBondContact CA-SG 3.42Å; F856-C859 HydrophobicContact CB-CB 4.39Å; F856-C859 VanDerWaalsContact CD1-SG 3.53Å; F856-C859 WeakPolarHBondContact O-CB 3.38Å; F856-C859 PolarHBondContact O-N 2.96Å; F856-C859 PolarHBondContact O-SG 2.72Å; F856-C859 VanDerWaalsContact O-SG 3.39Å
860	T	76.1	Confident	76.9	Confident	13 Å²	13	33.2 Å²	33.2	8%	0.08	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-149	140.6	169.1	-178.7	0	0	0	0	111.4	F833 I834 F862 A916	F833-T860 CarbonylContact C-O 3.44Å; F833-T860 WeakPolarHBondContact CA-O 3.27Å; I834-T860 HydrophobicContact CB-CG2 4.22Å; I834-T860 HydrophobicContact CD1-CG2 4.45Å; I834-T860 PolarHBondContact N-O 2.79Å; I834-T860 PolarHBondContact O-N 3.2Å; T860-F862 PolarHBondContact OG1-N 3.02Å; T860-A916 HydrophobicContact CG2-CB 4.28Å
861	G	59.6	Low	75.6	Confident	15 Å²	15	34.4 Å²	34.4	16%	0.155	16%	0.162	C	C	.	.			trans	-113.5	22.9	168.5	0	0	0	0	0	113.2	G832 R863	G832-G861 WeakPolarHBondContact O-CA 3.27Å; G861-R863 PolarHBondContact O-N 3.23Å
862	F	63.8	Low	74.3	Confident	74 Å²	74	38.6 Å²	38.6	33%	0.325	18%	0.182	S	C	.	.	S	Bend	trans	56.8	9.4	-173.6	-56.9	-75	0	0	0	115.7	I834 T860 R913 C914 A916	I834-F862 HydrophobicContact CD1-CE2 3.65Å; I834-F862 HydrophobicContact CD1-CZ 3.44Å; I834-F862 VanDerWaalsContact CD1-CZ 3.44Å; I834-F862 HydrophobicContact CG1-CE2 4.26Å; I834-F862 HydrophobicContact CG1-CZ 4.49Å; T860-F862 PolarHBondContact OG1-N 3.02Å; F862-R913 WeakPolarHBondContact CD1-O 3.47Å; F862-R913 VanDerWaalsContact CG-O 3.22Å; F862-R913 WeakPolarHBondContact CG-O 3.41Å; F862-C914 VanDerWaalsContact CE1-C 3.43Å; F862-C914 HydrophobicContact CZ-CB 4.48Å; F862-C914 WeakPolarHBondContact CZ-O 3.32Å; F862-A916 HydrophobicContact CE1-CB 4.12Å
863	R	67.1	Low	72	Confident	87 Å²	87	42.5 Å²	42.5	33%	0.328	21%	0.212	S	C	.	.			trans	-73	130.1	172.3	-66.7	177.4	59.3	-143.6	-17.5	109.1	D764 G861 T865 H866	D764-R863 IonicContact OD2-CZ 3.56Å; D764-R863 VanDerWaalsContact OD2-CZ 3.28Å; D764-R863 IonicContact OD2-NH1 2.77Å; D764-R863 PolarHBondContact OD2-NH1 2.88Å; D764-R863 IonicContact OD2-NH2 3.4Å; D764-R863 PolarHBondContact OD2-NH2 2.59Å; D764-R863 VanDerWaalsContact OD2-NH2 3.15Å; G861-R863 PolarHBondContact O-N 3.23Å; R863-T865 PolarHBondContact NH2-OG1 3.21Å; R863-T865 PolarHBondContact O-N 3.44Å; R863-H866 PolarHBondContact NH1-NE2 2.85Å; R863-H866 WeakPolarHBondContact O-CA 3.44Å; R863-H866 WeakPolarHBondContact O-CB 3.46Å; R863-H866 PolarHBondContact O-N 3.33Å
864	W	58.1	Low	69.7	Low	89 Å²	89	44.6 Å²	44.6	34%	0.337	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-55.7	-26.4	-180	64.9	-96.8	0	0	0	113.7	F650 H866 D867 Y870	F650-W864 AromaticContact CD2-CH2 3.78Å; F650-W864 HydrophobicContact CD2-CH2 3.78Å; F650-W864 HydrophobicContact CD2-CZ2 4.35Å; F650-W864 AromaticContact CE2-CH2 3.53Å; F650-W864 HydrophobicContact CE2-CH2 3.53Å; F650-W864 AromaticContact CE2-CZ2 4Å; F650-W864 HydrophobicContact CE2-CZ2 4Å; F650-W864 HydrophobicContact CZ-CH2 4.37Å; W864-H866 PolarHBondContact O-N 3.24Å; W864-D867 PolarHBondContact O-N 3.05Å; W864-D867 VanDerWaalsContact O-N 3.15Å; W864-Y870 HydrophobicContact CE3-CD1 4.18Å; W864-Y870 AromaticContact CE3-CD2 3.97Å; W864-Y870 HydrophobicContact CE3-CD2 3.97Å; W864-Y870 HydrophobicContact CE3-CE1 4.44Å; W864-Y870 HydrophobicContact CE3-CE2 4.25Å; W864-Y870 AromaticContact CE3-CG 3.95Å; W864-Y870 HydrophobicContact CE3-CG 3.95Å; W864-Y870 AromaticContact CZ3-CD1 3.86Å; W864-Y870 HydrophobicContact CZ3-CD1 3.86Å; W864-Y870 AromaticContact CZ3-CD2 3.84Å; W864-Y870 HydrophobicContact CZ3-CD2 3.84Å; W864-Y870 AromaticContact CZ3-CE1 3.67Å; W864-Y870 HydrophobicContact CZ3-CE1 3.67Å; W864-Y870 AromaticContact CZ3-CE2 3.65Å; W864-Y870 HydrophobicContact CZ3-CE2 3.65Å; W864-Y870 AromaticContact CZ3-CG 3.95Å; W864-Y870 HydrophobicContact CZ3-CG 3.95Å; W864-Y870 AromaticContact CZ3-CZ 3.57Å
865	T	66.5	Low	67.1	Low	4 Å²	4	51.9 Å²	51.9	3%	0.025	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-64.5	-15.5	173.4	48.9	0	0	0	0	114.3	R863 Y871	R863-T865 PolarHBondContact NH2-OG1 3.21Å; R863-T865 PolarHBondContact O-N 3.44Å; T865-Y871 WeakPolarHBondContact O-CE2 3.39Å; T865-Y871 PolarHBondContact O-OH 2.93Å
866	H	71.8	Confident	65.3	Low	8 Å²	8	55 Å²	55	4%	0.037	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-103.2	-0.2	177.5	-52.8	168	0	0	0	112.6	K760 A761 D764 F833 R863 W864	K760-H866 PolarHBondContact O-NE2 3.41Å; A761-H866 HydrophobicContact CB-CB 4.26Å; D764-H866 WeakPolarHBondContact CB-NE2 3.32Å; D764-H866 IonicContact OD1-NE2 3.66Å; D764-H866 IonicContact OD2-CD2 2.81Å; D764-H866 IonicContact OD2-CE1 3.93Å; D764-H866 IonicContact OD2-NE2 2.66Å; D764-H866 PolarHBondContact OD2-NE2 3.36Å; F833-H866 AromaticContact CE1-CE1 3.2Å; F833-H866 WeakPolarHBondContact CE1-CE1 3.28Å; R863-H866 PolarHBondContact NH1-NE2 2.85Å; R863-H866 WeakPolarHBondContact O-CA 3.44Å; R863-H866 WeakPolarHBondContact O-CB 3.46Å; R863-H866 PolarHBondContact O-N 3.33Å; W864-H866 PolarHBondContact O-N 3.24Å
867	D	69.8	Low	63.1	Low	54 Å²	54	59.3 Å²	59.3	29%	0.289	32%	0.32	S	S	.	.			trans	-83.3	129	168	-165.6	-15.9	0	0	0	109.9	W864 K869 Y870	W864-D867 PolarHBondContact O-N 3.05Å; W864-D867 VanDerWaalsContact O-N 3.15Å; D867-K869 PolarHBondContact O-N 3.16Å; D867-K869 WeakPolarHBondContact OD1-CG 3.4Å; D867-K869 PolarHBondContact OD1-N 2.72Å; D867-K869 IonicContact OD1-NZ 2.93Å; D867-K869 IonicContact OD2-NZ 3.48Å; D867-K869 PolarHBondContact OD2-NZ 3.33Å; D867-Y870 PolarHBondContact O-N 3.34Å
868	S	69.9	Low	61.7	Low	24 Å²	24	64.1 Å²	64.1	17%	0.168	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-62.5	-29.3	173.6	-62.8	0	0	0	0	112.2	Y870 Y871 Q872	S868-Y870 PolarHBondContact O-N 3.08Å; S868-Y871 PolarHBondContact O-N 3.15Å; S868-Y871 VanDerWaalsContact O-N 3.16Å; S868-Q872 WeakPolarHBondContact O-CG 3.23Å; S868-Q872 PolarHBondContact O-N 2.81Å
869	K	70.7	Confident	60	Low	116 Å²	116	71.5 Å²	71.5	50%	0.504	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-58.9	-31.8	178.3	-62.7	-170.5	-145.5	92.1	0	113.2	D867 Y871 Q872 H876	D867-K869 PolarHBondContact O-N 3.16Å; D867-K869 WeakPolarHBondContact OD1-CG 3.4Å; D867-K869 PolarHBondContact OD1-N 2.72Å; D867-K869 IonicContact OD1-NZ 2.93Å; D867-K869 IonicContact OD2-NZ 3.48Å; D867-K869 PolarHBondContact OD2-NZ 3.33Å; K869-Y871 VanDerWaalsContact C-N 3.3Å; K869-Y871 PolarHBondContact O-N 2.71Å; K869-Q872 PolarHBondContact O-N 3.32Å; K869-H876 PolarHBondContact O-CD2 1.98Å; K869-H876 VanDerWaalsContact O-CD2 3.29Å
870	Y	66	Low	58.1	Low	68 Å²	68	75.7 Å²	75.7	27%	0.267	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-66.6	-30.8	179.8	170	-100.8	0	0	0	112.8	W864 D867 S868 H1082	W864-Y870 HydrophobicContact CE3-CD1 4.18Å; W864-Y870 AromaticContact CE3-CD2 3.97Å; W864-Y870 HydrophobicContact CE3-CD2 3.97Å; W864-Y870 HydrophobicContact CE3-CE1 4.44Å; W864-Y870 HydrophobicContact CE3-CE2 4.25Å; W864-Y870 AromaticContact CE3-CG 3.95Å; W864-Y870 HydrophobicContact CE3-CG 3.95Å; W864-Y870 AromaticContact CZ3-CD1 3.86Å; W864-Y870 HydrophobicContact CZ3-CD1 3.86Å; W864-Y870 AromaticContact CZ3-CD2 3.84Å; W864-Y870 HydrophobicContact CZ3-CD2 3.84Å; W864-Y870 AromaticContact CZ3-CE1 3.67Å; W864-Y870 HydrophobicContact CZ3-CE1 3.67Å; W864-Y870 AromaticContact CZ3-CE2 3.65Å; W864-Y870 HydrophobicContact CZ3-CE2 3.65Å; W864-Y870 AromaticContact CZ3-CG 3.95Å; W864-Y870 HydrophobicContact CZ3-CG 3.95Å; W864-Y870 AromaticContact CZ3-CZ 3.57Å; D867-Y870 PolarHBondContact O-N 3.34Å; S868-Y870 PolarHBondContact O-N 3.08Å; Y870-H1082 AromaticContact CE1-CD2 3.85Å; Y870-H1082 AromaticContact CZ-CD2 3.94Å; Y870-H1082 PolarHBondContact OH-CD2 3.26Å
871	Y	69	Low	56.3	Low	34 Å²	34	77.3 Å²	77.3	13%	0.133	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-9	178	-53.5	-80.2	0	0	0	113.2	V756 A757 K760 T865 S868 K869	V756-Y871 HydrophobicContact CB-CD1 4.05Å; V756-Y871 HydrophobicContact CB-CD2 4.1Å; V756-Y871 HydrophobicContact CB-CE1 4.4Å; V756-Y871 HydrophobicContact CB-CE2 4.45Å; V756-Y871 HydrophobicContact CB-CG 3.89Å; V756-Y871 HydrophobicContact CG1-CD1 3.53Å; V756-Y871 HydrophobicContact CG1-CD2 4.12Å; V756-Y871 HydrophobicContact CG1-CE1 3.47Å; V756-Y871 VanDerWaalsContact CG1-CE1 3.47Å; V756-Y871 HydrophobicContact CG1-CE2 4.07Å; V756-Y871 HydrophobicContact CG1-CG 3.86Å; A757-Y871 HydrophobicContact CB-CD2 3.86Å; A757-Y871 HydrophobicContact CB-CE2 3.77Å; K760-Y871 VanDerWaalsContact CD-OH 3.27Å; K760-Y871 WeakPolarHBondContact CD-OH 3.38Å; K760-Y871 WeakPolarHBondContact CE-OH 3.45Å; K760-Y871 PolarHBondContact NZ-OH 3.21Å; T865-Y871 WeakPolarHBondContact O-CE2 3.39Å; T865-Y871 PolarHBondContact O-OH 2.93Å; S868-Y871 PolarHBondContact O-N 3.15Å; S868-Y871 VanDerWaalsContact O-N 3.16Å; K869-Y871 VanDerWaalsContact C-N 3.3Å; K869-Y871 PolarHBondContact O-N 2.71Å
872	Q	67.2	Low	55	Low	88 Å²	88	85.4 Å²	85.4	41%	0.411	44%	0.439	S	S	.	.	S	Bend	trans	-76.9	132	173.3	-71.9	166.5	6.4	0	0	109.2	S868 K869 G874	S868-Q872 WeakPolarHBondContact O-CG 3.23Å; S868-Q872 PolarHBondContact O-N 2.81Å; K869-Q872 PolarHBondContact O-N 3.32Å; Q872-G874 PolarHBondContact O-N 2.86Å
873	S	48.1	Very low	53.4	Low	102 Å²	102	88 Å²	88	71%	0.713	46%	0.457	S	S	*	.	S	Bend	trans	-77.4	81.8	-170.8	62	0	0	0	0	112.5
874	G	46.5	Very low	51.5	Low	44 Å²	44	93.2 Å²	93.2	45%	0.454	48%	0.482	S	S	.	.	S	Bend	trans	-137.7	164.3	170.8	0	0	0	0	0	111.3	Q872 H876	Q872-G874 PolarHBondContact O-N 2.86Å; G874-H876 PolarHBondContact O-N 3.44Å
875	D	39	Very low	50.5	Low	173 Å²	173	92.1 Å²	92.1	93%	0.925	49%	0.488	S	S	*	.			trans	-79.5	68.7	-178.3	-158.6	4.8	0	0	0	111.1	A877	D875-A877 PolarHBondContact O-N 2.91Å
876	H	45.6	Very low	49.1	Very low	116 Å²	116	99.6 Å²	99.6	54%	0.537	53%	0.528	S	S	.	.			trans	-86.8	94.5	-172.6	-68.6	-43.8	0	0	0	111.6	K869 G874	K869-H876 PolarHBondContact O-CD2 1.98Å; K869-H876 VanDerWaalsContact O-CD2 3.29Å; G874-H876 PolarHBondContact O-N 3.44Å
877	A	38.5	Very low	47.3	Very low	91 Å²	91	107.4 Å²	107.4	75%	0.752	56%	0.564	S	S	*	*			trans	-53.2	139.7	171	0	0	0	0	0	112.1	D875 Q879	D875-A877 PolarHBondContact O-N 2.91Å; A877-Q879 PolarHBondContact O-N 2.93Å
878	R	43.9	Very low	46.3	Very low	111 Å²	111	113.1 Å²	113.1	42%	0.419	58%	0.582	S	S	.	*			trans	-63.1	104.9	-177.9	-76	-175.5	166.6	179.6	-3.9	111.9	E653 D880 S881	E653-R878 IonicContact OE1-CZ 2.74Å; E653-R878 IonicContact OE1-NH1 3.87Å; E653-R878 PolarHBondContact OE1-NH1 2.96Å; E653-R878 IonicContact OE1-NH2 2.74Å; E653-R878 PolarHBondContact OE1-NH2 2.85Å; E653-R878 IonicContact OE2-CZ 3.76Å; E653-R878 IonicContact OE2-NH1 3.06Å; E653-R878 IonicContact OE2-NH2 3.37Å; E653-R878 PolarHBondContact OE2-NH2 3.46Å; R878-D880 PolarHBondContact O-N 3.18Å; R878-S881 PolarHBondContact O-N 2.91Å
879	Q	42.6	Very low	44.6	Very low	190 Å²	190	115.2 Å²	115.2	89%	0.888	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-12.5	168.3	-96.6	-173.2	-16	0	0	114.3	A877	A877-Q879 PolarHBondContact O-N 2.93Å
880	D	40	Very low	43.1	Very low	89 Å²	89	114.6 Å²	114.6	48%	0.476	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.1	14.8	173.5	-84.8	-22.5	0	0	0	113.8	R878 R913	R878-D880 PolarHBondContact O-N 3.18Å; D880-R913 IonicContact OD1-CZ 3.1Å; D880-R913 IonicContact OD1-NE 3.6Å; D880-R913 IonicContact OD1-NH2 3.8Å; D880-R913 PolarHBondContact OD1-NH2 3.1Å
881	S	38.5	Very low	42	Very low	46 Å²	46	117.2 Å²	117.2	32%	0.322	64%	0.635	S	S	.	*	S	Bend	trans	-84.1	155.9	167.6	-157.5	0	0	0	0	111.6	R878 D883	R878-S881 PolarHBondContact O-N 2.91Å; S881-D883 WeakPolarHBondContact CB-OD2 3.46Å; S881-D883 PolarHBondContact O-N 3.38Å; S881-D883 PolarHBondContact OG-OD2 2.88Å
882	M	32.4	Very low	40.9	Very low	186 Å²	186	119.8 Å²	119.8	92%	0.916	66%	0.663	S	S	*	*	S	Bend	trans	-77.3	26.3	172.7	-96.7	-84.1	-162.8	0	0	112.6
883	D	30.8	Very low	39.9	Very low	129 Å²	129	121.8 Å²	121.8	69%	0.69	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-91.8	136.9	-174.2	-69.3	-57.3	0	0	0	111.7	S881	S881-D883 WeakPolarHBondContact CB-OD2 3.46Å; S881-D883 PolarHBondContact O-N 3.38Å; S881-D883 PolarHBondContact OG-OD2 2.88Å
884	F	27.7	Very low	39.7	Very low	195 Å²	195	119.6 Å²	119.6	86%	0.855	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-72.9	127.5	175.3	-71.7	-105.9	0	0	0	109.3	N886	F884-N886 PolarHBondContact O-N 3.12Å
885	S	35.9	Very low	39.6	Very low	66 Å²	66	128.9 Å²	128.9	46%	0.462	68%	0.682	S	S	.	*	P	Polyproline II helix	trans	-67	129.2	176.5	57.2	0	0	0	0	111	E887 W888	S885-E887 PolarHBondContact O-N 3.02Å; S885-W888 PolarHBondContact O-N 3.13Å
886	N	37.7	Very low	39.9	Very low	162 Å²	162	124.5 Å²	124.5	87%	0.866	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-65.9	2.4	-176.5	-86.6	-5	0	0	0	115	F884 W888 G889	F884-N886 PolarHBondContact O-N 3.12Å; N886-W888 PolarHBondContact O-N 2.86Å; N886-W888 VanDerWaalsContact O-N 3.15Å; N886-G889 PolarHBondContact O-N 3.42Å
887	E	34.4	Very low	39.6	Very low	172 Å²	172	122.2 Å²	122.2	80%	0.804	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-64.9	-9.5	171	-61.4	177.5	130.8	0	0	113.3	S885 G889	S885-E887 PolarHBondContact O-N 3.02Å; E887-G889 VanDerWaalsContact C-N 3.31Å
888	W	47.2	Very low	40.1	Very low	174 Å²	174	126 Å²	126	66%	0.659	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-90.4	17.2	176.5	-73.9	85.8	0	0	0	114.2	S885 N886 R899	S885-W888 PolarHBondContact O-N 3.13Å; N886-W888 PolarHBondContact O-N 2.86Å; N886-W888 VanDerWaalsContact O-N 3.15Å; W888-R899 VanDerWaalsContact CH2-NH1 3.26Å
889	G	35.6	Very low	40.6	Very low	68 Å²	68	126.5 Å²	126.5	70%	0.701	68%	0.681	S	S	*	*	S	Bend	trans	-76.3	-14	-178.9	0	0	0	0	0	116.4	N886 E887	N886-G889 PolarHBondContact O-N 3.42Å; E887-G889 VanDerWaalsContact C-N 3.31Å
890	D	39.3	Very low	41.3	Very low	103 Å²	103	122.6 Å²	122.6	55%	0.551	67%	0.666	S	S	*	*			trans	-122.1	106.4	-179	-173	-3.9	0	0	0	112.4	A892	D890-A892 PolarHBondContact O-N 2.7Å; D890-A892 VanDerWaalsContact OD1-CB 3.24Å; D890-A892 WeakPolarHBondContact OD1-CB 3.42Å; D890-A892 PolarHBondContact OD1-N 3.33Å
891	P	42.7	Very low	42.6	Very low	122 Å²	122	124.7 Å²	124.7	79%	0.792	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-64.8	-19.7	175.1	-22.9	34.8	0	0	0	115.2
892	A	45.3	Very low	43.1	Very low	89 Å²	89	127 Å²	127	74%	0.736	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-77.2	-23.5	-166.5	0	0	0	0	0	114.5	D890	D890-A892 PolarHBondContact O-N 2.7Å; D890-A892 VanDerWaalsContact OD1-CB 3.24Å; D890-A892 WeakPolarHBondContact OD1-CB 3.42Å; D890-A892 PolarHBondContact OD1-N 3.33Å
893	N	45.9	Very low	43.6	Very low	130 Å²	130	124.7 Å²	124.7	70%	0.695	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-105.3	9.9	-168.7	-152	2.1	0	0	0	114.9	R895	N893-R895 PolarHBondContact O-N 3.2Å
894	C	44.3	Very low	44.6	Very low	56 Å²	56	121.9 Å²	121.9	38%	0.378	66%	0.658	S	S	.	*			trans	-79.9	77.5	-177.1	-172.5	0	0	0	0	113.1	C896	C894-C896 PolarHBondContact O-N 2.85Å
895	R	44.3	Very low	45.6	Very low	239 Å²	239	116.8 Å²	116.8	90%	0.902	63%	0.633	S	S	*	*			trans	-71.8	65.6	170	-68.1	-175.6	69.9	-174.3	1.1	112.4	N893 G897	N893-R895 PolarHBondContact O-N 3.2Å; R895-G897 VanDerWaalsContact C-N 3.34Å; R895-G897 PolarHBondContact O-N 3.07Å
896	C	45.9	Very low	46.1	Very low	81 Å²	81	121.7 Å²	121.7	55%	0.547	64%	0.641	S	S	.	*			trans	-80.2	72.2	179.2	56.1	0	0	0	0	113.1	C894 R899	C894-C896 PolarHBondContact O-N 2.85Å; C896-R899 HydrophobicContact CB-CG 4.25Å
897	G	39.5	Very low	46.6	Very low	68 Å²	68	116.6 Å²	116.6	70%	0.701	62%	0.622	S	S	*	*	S	Bend	trans	-74.7	-67.9	167.4	0	0	0	0	0	111.7	R895	R895-G897 VanDerWaalsContact C-N 3.34Å; R895-G897 PolarHBondContact O-N 3.07Å
898	D	48.9	Very low	47.3	Very low	169 Å²	169	110.3 Å²	110.3	90%	0.904	60%	0.6	S	S	*	*			trans	-108	85.9	-177	-74.9	-67.6	0	0	0	112.3
899	R	54.3	Low	47.6	Very low	122 Å²	122	109 Å²	109	46%	0.46	60%	0.595	S	S	.	*			trans	-108.8	97	169.1	-77.3	-168.2	171.5	-148.6	3.2	111	W888 C896 R905	W888-R899 VanDerWaalsContact CH2-NH1 3.26Å; C896-R899 HydrophobicContact CB-CG 4.25Å; R899-R905 PolarHBondContact O-NH2 3.4Å
900	L	56	Low	48.3	Very low	108 Å²	108	111.8 Å²	111.8	57%	0.565	59%	0.589	S	S	*	*			trans	-24	135.6	163.4	-74.9	168.5	0	0	0	112.4	E904 R905	L900-E904 HydrophobicContact CB-CB 4.01Å; L900-E904 HydrophobicContact CD2-CB 4.26Å; L900-R905 HydrophobicContact CB-CG 4.47Å; L900-R905 PolarHBondContact O-NE 2.93Å; L900-R905 PolarHBondContact O-NH2 2.84Å
901	K	69.1	Low	48.9	Very low	134 Å²	134	112.2 Å²	112.2	58%	0.583	59%	0.588	S	S	*	*			trans	-54.1	154	-172.1	-61.3	178.3	-160.2	108.7	0	111.7	L903 E904 R905	K901-L903 PolarHBondContact O-N 3.21Å; K901-E904 HydrophobicContact CB-CB 4.45Å; K901-E904 HydrophobicContact CB-CG 4.24Å; K901-E904 WeakPolarHBondContact CB-OE2 3.48Å; K901-E904 WeakPolarHBondContact CG-OE2 3.49Å; K901-E904 PolarHBondContact N-OE2 3.47Å; K901-E904 IonicContact NZ-OE1 3.54Å; K901-E904 PolarHBondContact NZ-OE1 2.77Å; K901-E904 CarbonylContact O-C 3.5Å; K901-E904 WeakPolarHBondContact O-CA 3.2Å; K901-E904 WeakPolarHBondContact O-CB 3.46Å; K901-E904 PolarHBondContact O-N 3.43Å; K901-R905 PolarHBondContact O-N 3.31Å
902	P	47.9	Very low	49.2	Very low	95 Å²	95	112.4 Å²	112.4	62%	0.617	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54	-28.7	-178.3	-28.7	36.3	0	0	0	115.1	R906	P902-R906 WeakPolarHBondContact O-CB 3.4Å; P902-R906 PolarHBondContact O-N 3.43Å; P902-R906 VanDerWaalsContact O-N 3.08Å
903	L	43.3	Very low	49.3	Very low	136 Å²	136	115.6 Å²	115.6	71%	0.712	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-45.4	171.6	-69.1	174.1	0	0	0	112.8	K901 R905 R906 A907	K901-L903 PolarHBondContact O-N 3.21Å; L903-R905 VanDerWaalsContact C-N 3.32Å; L903-R905 PolarHBondContact O-N 2.8Å; L903-R906 CarbonylContact O-C 3.59Å; L903-R906 WeakPolarHBondContact O-CA 3.21Å; L903-R906 WeakPolarHBondContact O-CB 3.38Å; L903-R906 PolarHBondContact O-N 3.35Å; L903-A907 WeakPolarHBondContact O-CB 3.09Å; L903-A907 PolarHBondContact O-N 3.01Å
904	E	50.9	Low	49.8	Very low	71 Å²	71	112 Å²	112	33%	0.332	56%	0.556	S	S	.	*	H	α-helix	trans	-60.4	-42.1	173.3	-66.8	157.4	-173.4	0	0	110.5	L900 K901 R906 A907 A908	L900-E904 HydrophobicContact CB-CB 4.01Å; L900-E904 HydrophobicContact CD2-CB 4.26Å; K901-E904 HydrophobicContact CB-CB 4.45Å; K901-E904 HydrophobicContact CB-CG 4.24Å; K901-E904 WeakPolarHBondContact CB-OE2 3.48Å; K901-E904 WeakPolarHBondContact CG-OE2 3.49Å; K901-E904 PolarHBondContact N-OE2 3.47Å; K901-E904 IonicContact NZ-OE1 3.54Å; K901-E904 PolarHBondContact NZ-OE1 2.77Å; K901-E904 CarbonylContact O-C 3.5Å; K901-E904 WeakPolarHBondContact O-CA 3.2Å; K901-E904 WeakPolarHBondContact O-CB 3.46Å; K901-E904 PolarHBondContact O-N 3.43Å; E904-R906 VanDerWaalsContact C-N 3.26Å; E904-R906 PolarHBondContact O-N 3.15Å; E904-A907 PolarHBondContact O-N 2.84Å; E904-A908 VanDerWaalsContact O-CB 3.25Å; E904-A908 WeakPolarHBondContact O-CB 3.34Å; E904-A908 PolarHBondContact O-N 2.9Å
905	R	50.1	Low	50.3	Low	87 Å²	87	110.9 Å²	110.9	33%	0.328	55%	0.546	S	S	.	.	H	α-helix	trans	-65.3	-21	170	-106	-179.6	-72.4	151.6	-2.9	113.8	R899 L900 K901 L903 R909	R899-R905 PolarHBondContact O-NH2 3.4Å; L900-R905 HydrophobicContact CB-CG 4.47Å; L900-R905 PolarHBondContact O-NE 2.93Å; L900-R905 PolarHBondContact O-NH2 2.84Å; K901-R905 PolarHBondContact O-N 3.31Å; L903-R905 VanDerWaalsContact C-N 3.32Å; L903-R905 PolarHBondContact O-N 2.8Å; R905-R909 WeakPolarHBondContact O-CG 3.31Å; R905-R909 PolarHBondContact O-NE 3.12Å; R905-R909 PolarHBondContact O-NH2 3.06Å
906	R	46.2	Very low	50.8	Low	169 Å²	169	99.9 Å²	99.9	64%	0.638	51%	0.506	S	S	*	.	H	α-helix	trans	-84	-46.4	173	-174.2	179.2	-70.1	-156.6	-1.6	110.1	P902 L903 E904 R909 Q910	P902-R906 WeakPolarHBondContact O-CB 3.4Å; P902-R906 PolarHBondContact O-N 3.43Å; P902-R906 VanDerWaalsContact O-N 3.08Å; L903-R906 CarbonylContact O-C 3.59Å; L903-R906 WeakPolarHBondContact O-CA 3.21Å; L903-R906 WeakPolarHBondContact O-CB 3.38Å; L903-R906 PolarHBondContact O-N 3.35Å; E904-R906 VanDerWaalsContact C-N 3.26Å; E904-R906 PolarHBondContact O-N 3.15Å; R906-R909 PolarHBondContact O-N 2.84Å; R906-Q910 WeakPolarHBondContact O-CB 3.37Å; R906-Q910 PolarHBondContact O-N 3.02Å
907	A	48.3	Very low	51.2	Low	55 Å²	55	101.1 Å²	101.1	46%	0.455	50%	0.504	S	S	.	.	H	α-helix	trans	-59.8	-44.5	175.1	0	0	0	0	0	111.8	L903 E904 R909 Q910 H911	L903-A907 WeakPolarHBondContact O-CB 3.09Å; L903-A907 PolarHBondContact O-N 3.01Å; E904-A907 PolarHBondContact O-N 2.84Å; A907-R909 PolarHBondContact O-N 3.32Å; A907-Q910 PolarHBondContact O-N 3.08Å; A907-H911 VanDerWaalsContact O-CB 3.28Å; A907-H911 WeakPolarHBondContact O-CB 3.27Å; A907-H911 PolarHBondContact O-N 3.41Å
908	A	48.5	Very low	52.1	Low	41 Å²	41	100.3 Å²	100.3	34%	0.339	49%	0.487	S	S	.	.	H	α-helix	trans	-62.4	-41.5	175.5	0	0	0	0	0	112.5	E904 H911 Q912	E904-A908 VanDerWaalsContact O-CB 3.25Å; E904-A908 WeakPolarHBondContact O-CB 3.34Å; E904-A908 PolarHBondContact O-N 2.9Å; A908-H911 PolarHBondContact O-N 2.94Å; A908-Q912 WeakPolarHBondContact O-CB 2.84Å; A908-Q912 VanDerWaalsContact O-CG 3.3Å; A908-Q912 WeakPolarHBondContact O-CG 3.42Å; A908-Q912 PolarHBondContact O-N 3.44Å
909	R	53.3	Low	53	Low	147 Å²	147	95.7 Å²	95.7	56%	0.555	46%	0.462	S	S	*	.	H	α-helix	trans	-72	-27.4	175.1	-77.9	179.8	-68.7	-179.7	1.7	113.3	R905 R906 A907 R913	R905-R909 WeakPolarHBondContact O-CG 3.31Å; R905-R909 PolarHBondContact O-NE 3.12Å; R905-R909 PolarHBondContact O-NH2 3.06Å; R906-R909 PolarHBondContact O-N 2.84Å; A907-R909 PolarHBondContact O-N 3.32Å; R909-R913 WeakPolarHBondContact O-CB 3.2Å; R909-R913 PolarHBondContact O-N 3.29Å; R909-R913 VanDerWaalsContact O-N 3.07Å
910	Q	51.2	Low	53.3	Low	126 Å²	126	91 Å²	91	59%	0.589	45%	0.447	S	S	*	.	H	α-helix	trans	-73.5	-41.8	171.9	-176.8	174.2	-9.6	0	0	111.1	R906 A907 R913 C914	R906-Q910 WeakPolarHBondContact O-CB 3.37Å; R906-Q910 PolarHBondContact O-N 3.02Å; A907-Q910 PolarHBondContact O-N 3.08Å; Q910-R913 CarbonylContact O-C 3.55Å; Q910-R913 WeakPolarHBondContact O-CB 3.46Å; Q910-R913 PolarHBondContact O-N 3.13Å; Q910-C914 PolarHBondContact O-N 2.86Å; Q910-C914 VanDerWaalsContact O-N 3.1Å; Q910-C914 PolarHBondContact O-SG 2.92Å
911	H	50.6	Low	53.5	Low	111 Å²	111	86.9 Å²	86.9	51%	0.514	43%	0.431	S	S	.	.	H	α-helix	trans	-62.9	-47.3	173.7	-178.2	74	0	0	0	111	A907 A908 R913 C914 L915	A907-H911 VanDerWaalsContact O-CB 3.28Å; A907-H911 WeakPolarHBondContact O-CB 3.27Å; A907-H911 PolarHBondContact O-N 3.41Å; A908-H911 PolarHBondContact O-N 2.94Å; H911-R913 VanDerWaalsContact C-N 3.27Å; H911-R913 PolarHBondContact O-N 3.36Å; H911-C914 CarbonylContact O-C 3.56Å; H911-C914 WeakPolarHBondContact O-CA 3.48Å; H911-C914 PolarHBondContact O-N 3.16Å; H911-L915 WeakPolarHBondContact O-CG 3.37Å; H911-L915 PolarHBondContact O-N 3.41Å; H911-L915 VanDerWaalsContact O-N 3.12Å
912	Q	49.7	Very low	53.8	Low	126 Å²	126	82.5 Å²	82.5	59%	0.589	42%	0.415	S	S	*	.	H	α-helix	trans	-58.4	-35.3	171.1	-75.5	176	-39	0	0	113	A908 C914 L915	A908-Q912 WeakPolarHBondContact O-CB 2.84Å; A908-Q912 VanDerWaalsContact O-CG 3.3Å; A908-Q912 WeakPolarHBondContact O-CG 3.42Å; A908-Q912 PolarHBondContact O-N 3.44Å; Q912-C914 PolarHBondContact O-N 2.77Å; Q912-L915 PolarHBondContact O-N 3.16Å
913	R	48	Very low	55.3	Low	156 Å²	156	80 Å²	80	59%	0.589	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-13.1	171.6	-89.2	-178.8	154.9	146.4	-4.1	114.3	F862 D880 R909 Q910 H911	F862-R913 WeakPolarHBondContact CD1-O 3.47Å; F862-R913 VanDerWaalsContact CG-O 3.22Å; F862-R913 WeakPolarHBondContact CG-O 3.41Å; D880-R913 IonicContact OD1-CZ 3.1Å; D880-R913 IonicContact OD1-NE 3.6Å; D880-R913 IonicContact OD1-NH2 3.8Å; D880-R913 PolarHBondContact OD1-NH2 3.1Å; R909-R913 WeakPolarHBondContact O-CB 3.2Å; R909-R913 PolarHBondContact O-N 3.29Å; R909-R913 VanDerWaalsContact O-N 3.07Å; Q910-R913 CarbonylContact O-C 3.55Å; Q910-R913 WeakPolarHBondContact O-CB 3.46Å; Q910-R913 PolarHBondContact O-N 3.13Å; H911-R913 VanDerWaalsContact C-N 3.27Å; H911-R913 PolarHBondContact O-N 3.36Å
914	C	56.1	Low	57.4	Low	55 Å²	55	75.1 Å²	75.1	37%	0.372	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	10.6	173.5	-55.5	0	0	0	0	112.6	F862 Q910 H911 Q912	F862-C914 VanDerWaalsContact CE1-C 3.43Å; F862-C914 HydrophobicContact CZ-CB 4.48Å; F862-C914 WeakPolarHBondContact CZ-O 3.32Å; Q910-C914 PolarHBondContact O-N 2.86Å; Q910-C914 VanDerWaalsContact O-N 3.1Å; Q910-C914 PolarHBondContact O-SG 2.92Å; H911-C914 CarbonylContact O-C 3.56Å; H911-C914 WeakPolarHBondContact O-CA 3.48Å; H911-C914 PolarHBondContact O-N 3.16Å; Q912-C914 PolarHBondContact O-N 2.77Å
915	L	54.5	Low	59.5	Low	32 Å²	32	72.2 Å²	72.2	17%	0.168	36%	0.36	C	S	.	.			trans	-104	117	173.7	-72.6	172.7	0	0	0	109.8	H911 Q912 H917 Y936 T937	H911-L915 WeakPolarHBondContact O-CG 3.37Å; H911-L915 PolarHBondContact O-N 3.41Å; H911-L915 VanDerWaalsContact O-N 3.12Å; Q912-L915 PolarHBondContact O-N 3.16Å; L915-H917 PolarHBondContact O-CD2 3.49Å; L915-Y936 WeakPolarHBondContact CA-O 3.39Å; L915-T937 HydrophobicContact CD2-CG2 3.67Å
916	A	54.3	Low	61.4	Low	9 Å²	9	68.6 Å²	68.6	7%	0.074	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-86.5	145.1	169.2	0	0	0	0	0	109.6	T860 F862 G935 Y936	T860-A916 HydrophobicContact CG2-CB 4.28Å; F862-A916 HydrophobicContact CE1-CB 4.12Å; A916-G935 CarbonylContact O-C 3.55Å; A916-G935 WeakPolarHBondContact O-CA 3.28Å; A916-Y936 HydrophobicContact CB-CD2 4.05Å; A916-Y936 HydrophobicContact CB-CE1 4.11Å; A916-Y936 HydrophobicContact CB-CE2 3.49Å; A916-Y936 VanDerWaalsContact CB-CE2 3.49Å; A916-Y936 PolarHBondContact N-O 3.42Å; A916-Y936 WeakPolarHBondContact O-CD1 3.37Å; A916-Y936 WeakPolarHBondContact O-CE1 3.36Å; A916-Y936 PolarHBondContact O-N 2.84Å
917	H	54.2	Low	63.7	Low	107 Å²	107	60.6 Å²	60.6	50%	0.495	32%	0.317	S	S	.	.			trans	-123.7	1.3	-176	-68.6	-86	0	0	0	113.7	L915 G935	L915-H917 PolarHBondContact O-CD2 3.49Å; H917-G935 WeakPolarHBondContact CE1-CA 3.2Å; H917-G935 WeakPolarHBondContact ND1-CA 3.5Å; H917-G935 PolarHBondContact ND1-N 3.03Å
918	S	59.1	Low	65.8	Low	50 Å²	50	58.2 Å²	58.2	35%	0.35	30%	0.297	S	S	.	.			trans	-77.6	127.9	179	-44.8	0	0	0	0	110.7	V920 Y936	S918-V920 PolarHBondContact O-N 3.15Å; S918-Y936 VanDerWaalsContact O-CE1 3.31Å; S918-Y936 WeakPolarHBondContact O-CE1 3.49Å; S918-Y936 PolarHBondContact O-OH 3.42Å
919	L	66.6	Low	67.8	Low	72 Å²	72	56.7 Å²	56.7	38%	0.377	28%	0.283	S	S	.	.			trans	-75	107.7	167.4	177.1	61.9	0	0	0	108.8	V930 L931 R933	L919-V930 HydrophobicContact CD1-CG1 4.3Å; L919-L931 HydrophobicContact CD1-CD2 3.8Å; L919-R933 VanDerWaalsContact CD2-NH2 3.33Å
920	V	60.7	Low	69.4	Low	23 Å²	23	50 Å²	50	14%	0.139	26%	0.258	C	S	.	.			trans	-144.6	167.3	-179.1	-65.1	0	0	0	0	110.1	R836 L858 S918	R836-V920 HydrophobicContact CB-CG2 3.93Å; L858-V920 HydrophobicContact CD1-CB 4.39Å; L858-V920 HydrophobicContact CD2-CB 4.19Å; L858-V920 HydrophobicContact CD2-CG1 4.16Å; S918-V920 PolarHBondContact O-N 3.15Å
921	G	60.3	Low	71	Confident	23 Å²	23	45 Å²	45	24%	0.237	24%	0.235	C	C	.	.	S	Bend	trans	103.4	175.5	177.2	0	0	0	0	0	113.6	R836 D837 I926	R836-G921 WeakPolarHBondContact O-CA 3.46Å; D837-G921 WeakPolarHBondContact OD1-CA 3.48Å; G921-I926 WeakPolarHBondContact O-CD1 3.25Å
922	T	76.5	Confident	72.6	Confident	42 Å²	42	44.5 Å²	44.5	26%	0.258	24%	0.236	S	C	.	.			trans	-93.9	119	-176.5	-56.9	0	0	0	0	110.7	D837 K839 N924 Y925 I926	D837-T922 WeakPolarHBondContact OD1-CB 3.22Å; D837-T922 PolarHBondContact OD1-N 2.57Å; D837-T922 PolarHBondContact OD1-OG1 2.79Å; K839-T922 HydrophobicContact CD-CG2 4.32Å; K839-T922 VanDerWaalsContact CD-OG1 3.31Å; K839-T922 WeakPolarHBondContact CD-OG1 3.34Å; K839-T922 PolarHBondContact NZ-OG1 2.93Å; T922-N924 VanDerWaalsContact C-N 3.3Å; T922-N924 PolarHBondContact O-N 2.72Å; T922-Y925 HydrophobicContact CG2-CD2 3.9Å; T922-Y925 HydrophobicContact CG2-CE2 3.97Å; T922-Y925 PolarHBondContact O-N 2.6Å; T922-I926 PolarHBondContact O-N 2.86Å
923	P	79.2	Confident	74	Confident	41 Å²	41	46 Å²	46	27%	0.266	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-31	-160.2	-33.7	36.3	0	0	0	119	Y925 T967	P923-Y925 VanDerWaalsContact C-N 3.28Å; P923-Y925 PolarHBondContact O-N 2.93Å; P923-T967 HydrophobicContact CB-CG2 4.07Å; P923-T967 WeakPolarHBondContact O-CG2 3.12Å
924	N	87.4	Confident	75.3	Confident	34 Å²	34	43.1 Å²	43.1	18%	0.182	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-28.7	177.7	-66.9	-30.5	0	0	0	113.1	T922 V947 P957 T967	T922-N924 VanDerWaalsContact C-N 3.3Å; T922-N924 PolarHBondContact O-N 2.72Å; N924-V947 WeakPolarHBondContact O-CG1 3.38Å; N924-P957 HydrophobicContact CB-CB 4.1Å; N924-P957 HydrophobicContact CB-CG 3.95Å; N924-T967 WeakPolarHBondContact OD1-CG2 3.34Å
925	Y	93.9	Very high	76.2	Confident	10 Å²	10	40.9 Å²	40.9	4%	0.039	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-6.9	-170.9	-46.7	-83.9	0	0	0	113.9	I838 K839 P840 T922 P923 S944 V947 I948 E951	I838-Y925 WeakPolarHBondContact O-CB 3.47Å; K839-Y925 HydrophobicContact CB-CD1 4.34Å; K839-Y925 HydrophobicContact CB-CD2 3.66Å; K839-Y925 HydrophobicContact CB-CE1 4.41Å; K839-Y925 HydrophobicContact CB-CE2 3.71Å; K839-Y925 HydrophobicContact CB-CG 3.99Å; P840-Y925 VanDerWaalsContact CD-CZ 3.49Å; P840-Y925 WeakPolarHBondContact CD-OH 3.4Å; P840-Y925 HydrophobicContact CG-CE1 4.31Å; T922-Y925 HydrophobicContact CG2-CD2 3.9Å; T922-Y925 HydrophobicContact CG2-CE2 3.97Å; T922-Y925 PolarHBondContact O-N 2.6Å; P923-Y925 VanDerWaalsContact C-N 3.28Å; P923-Y925 PolarHBondContact O-N 2.93Å; Y925-S944 PolarHBondContact O-OG 3.06Å; Y925-V947 HydrophobicContact CD1-CB 4.18Å; Y925-V947 HydrophobicContact CD1-CG1 3.42Å; Y925-V947 VanDerWaalsContact CD1-CG1 3.42Å; Y925-V947 HydrophobicContact CE1-CG1 3.93Å; Y925-V947 HydrophobicContact CG-CG1 4.26Å; Y925-I948 HydrophobicContact CD1-CG1 4.01Å; Y925-I948 HydrophobicContact CE1-CG1 4.1Å; Y925-E951 VanDerWaalsContact CE1-OE2 3.28Å; Y925-E951 WeakPolarHBondContact CE1-OE2 3.3Å; Y925-E951 PolarHBondContact OH-OE1 2.79Å; Y925-E951 PolarHBondContact OH-OE2 3.35Å
926	I	91.5	Very high	77.5	Confident	12 Å²	12	39.5 Å²	39.5	6%	0.062	22%	0.215	C	C	.	.			trans	-68.6	137.4	-179.8	-60.6	175.4	0	0	0	110.2	G921 T922 V930 L931 W943 V971	G921-I926 WeakPolarHBondContact O-CD1 3.25Å; T922-I926 PolarHBondContact O-N 2.86Å; I926-V930 HydrophobicContact CG2-CB 3.53Å; I926-V930 HydrophobicContact CG2-CG1 3.72Å; I926-V930 HydrophobicContact CG2-CG2 4.17Å; I926-L931 HydrophobicContact CB-CD2 4.3Å; I926-L931 HydrophobicContact CD1-CD2 4.14Å; I926-L931 HydrophobicContact CG2-CD2 3.71Å; I926-L931 HydrophobicContact CG2-CG 3.89Å; I926-W943 PolarHBondContact O-NE1 3.4Å; I926-V971 VanDerWaalsContact O-CG1 3.27Å; I926-V971 WeakPolarHBondContact O-CG1 3.28Å
927	A	93.1	Very high	79.1	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.008	22%	0.221	C	C	.	.			trans	-76.1	146.2	174.4	0	0	0	0	0	112.7	E929 V930 L931 C940 W943	A927-E929 VanDerWaalsContact C-N 3.29Å; A927-E929 VanDerWaalsContact CB-OE1 3.32Å; A927-E929 WeakPolarHBondContact CB-OE1 3.3Å; A927-E929 PolarHBondContact O-N 3.46Å; A927-V930 HydrophobicContact CB-CG2 4.2Å; A927-V930 VanDerWaalsContact O-CB 3.32Å; A927-V930 WeakPolarHBondContact O-CB 3.49Å; A927-V930 PolarHBondContact O-N 3.29Å; A927-L931 PolarHBondContact O-N 2.85Å; A927-C940 HydrophobicContact CB-CB 3.79Å; A927-W943 VanDerWaalsContact CA-CD1 3.47Å; A927-W943 HydrophobicContact CB-CB 3.67Å; A927-W943 HydrophobicContact CB-CD2 4.21Å; A927-W943 HydrophobicContact CB-CG 3.64Å
928	P	92.4	Very high	80.8	Confident	5 Å²	5	39.7 Å²	39.7	3%	0.032	22%	0.217	C	C	.	.	H	α-helix	trans	-58.8	-35.3	-173.3	21	-32.7	0	0	0	113.8	V930 L931 L932 W943 V971	P928-V930 PolarHBondContact O-N 3.18Å; P928-L931 PolarHBondContact O-N 2.78Å; P928-L932 WeakPolarHBondContact O-CB 3.25Å; P928-L932 VanDerWaalsContact O-CG 3.27Å; P928-L932 WeakPolarHBondContact O-CG 3.24Å; P928-L932 PolarHBondContact O-N 2.61Å; P928-W943 HydrophobicContact CG-CE3 4.26Å; P928-W943 HydrophobicContact CG-CH2 3.93Å; P928-W943 HydrophobicContact CG-CZ2 4.37Å; P928-W943 HydrophobicContact CG-CZ3 3.86Å; P928-V971 HydrophobicContact CB-CG1 4.23Å
929	E	90.6	Very high	82.4	Confident	9 Å²	9	38.1 Å²	38.1	4%	0.042	20%	0.204	C	C	.	.	H	α-helix	trans	-64.3	-25.3	176.8	66.2	-84.6	-168.2	0	0	114	A927 R933 P1001 R1004	A927-E929 VanDerWaalsContact C-N 3.29Å; A927-E929 VanDerWaalsContact CB-OE1 3.32Å; A927-E929 WeakPolarHBondContact CB-OE1 3.3Å; A927-E929 PolarHBondContact O-N 3.46Å; E929-R933 PolarHBondContact O-N 3.35Å; E929-P1001 HydrophobicContact CB-CG 4.24Å; E929-P1001 HydrophobicContact CG-CG 4.28Å; E929-R1004 IonicContact OE1-CZ 2.74Å; E929-R1004 IonicContact OE1-NH1 2.79Å; E929-R1004 PolarHBondContact OE1-NH1 3.29Å; E929-R1004 IonicContact OE1-NH2 2.74Å; E929-R1004 PolarHBondContact OE1-NH2 3.31Å; E929-R1004 IonicContact OE2-CZ 3.97Å; E929-R1004 IonicContact OE2-NH1 3.94Å; E929-R1004 IonicContact OE2-NH2 2.71Å; E929-R1004 PolarHBondContact OE2-NH2 2.72Å
930	V	87.3	Confident	83.7	Confident	7 Å²	7	34.9 Å²	34.9	4%	0.042	19%	0.188	C	C	.	.	H	α-helix	trans	-72.6	-42.6	174.1	-176.9	0	0	0	0	109.9	L919 I926 A927 P928 R933 Y936 C940	L919-V930 HydrophobicContact CD1-CG1 4.3Å; I926-V930 HydrophobicContact CG2-CB 3.53Å; I926-V930 HydrophobicContact CG2-CG1 3.72Å; I926-V930 HydrophobicContact CG2-CG2 4.17Å; A927-V930 HydrophobicContact CB-CG2 4.2Å; A927-V930 VanDerWaalsContact O-CB 3.32Å; A927-V930 WeakPolarHBondContact O-CB 3.49Å; A927-V930 PolarHBondContact O-N 3.29Å; P928-V930 PolarHBondContact O-N 3.18Å; V930-R933 PolarHBondContact O-N 3.29Å; V930-Y936 HydrophobicContact CB-CD1 4.04Å; V930-Y936 HydrophobicContact CB-CE1 4.2Å; V930-Y936 HydrophobicContact CB-CG 4.48Å; V930-Y936 HydrophobicContact CG1-CD1 4.14Å; V930-Y936 HydrophobicContact CG1-CE1 3.77Å; V930-Y936 HydrophobicContact CG2-CD1 3.72Å; V930-Y936 HydrophobicContact CG2-CD2 3.94Å; V930-Y936 HydrophobicContact CG2-CE1 4.06Å; V930-Y936 HydrophobicContact CG2-CE2 4.26Å; V930-Y936 HydrophobicContact CG2-CG 3.67Å; V930-C940 HydrophobicContact CG2-CB 3.92Å
931	L	85.4	Confident	85.4	Confident	20 Å²	20	33.9 Å²	33.9	11%	0.105	18%	0.181	C	C	.	.	H	α-helix	trans	-66.8	-40.2	176.5	-60.2	-176.2	0	0	0	112	L919 I926 A927 P928 R933 Q968 V971 I972	L919-L931 HydrophobicContact CD1-CD2 3.8Å; I926-L931 HydrophobicContact CB-CD2 4.3Å; I926-L931 HydrophobicContact CD1-CD2 4.14Å; I926-L931 HydrophobicContact CG2-CD2 3.71Å; I926-L931 HydrophobicContact CG2-CG 3.89Å; A927-L931 PolarHBondContact O-N 2.85Å; P928-L931 PolarHBondContact O-N 2.78Å; L931-R933 PolarHBondContact O-N 2.83Å; L931-Q968 HydrophobicContact CD1-CB 3.99Å; L931-Q968 HydrophobicContact CD1-CG 3.99Å; L931-Q968 HydrophobicContact CD2-CG 3.99Å; L931-V971 HydrophobicContact CD1-CB 3.74Å; L931-V971 HydrophobicContact CD1-CG1 3.54Å; L931-V971 HydrophobicContact CG-CG1 4.47Å; L931-I972 HydrophobicContact CB-CD1 4.2Å; L931-I972 HydrophobicContact CB-CG1 4.12Å; L931-I972 HydrophobicContact CD1-CD1 4.44Å; L931-I972 HydrophobicContact CD1-CG1 4.05Å
932	L	84.3	Confident	87.2	Confident	100 Å²	100	32.9 Å²	32.9	52%	0.524	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-11.1	177.8	-67.1	169.4	0	0	0	113.6	P928 T934 I972	P928-L932 WeakPolarHBondContact O-CB 3.25Å; P928-L932 VanDerWaalsContact O-CG 3.27Å; P928-L932 WeakPolarHBondContact O-CG 3.24Å; P928-L932 PolarHBondContact O-N 2.61Å; L932-T934 HydrophobicContact CB-CG2 4.22Å; L932-T934 PolarHBondContact O-N 3Å; L932-I972 HydrophobicContact CD2-CD1 4.49Å; L932-I972 HydrophobicContact CD2-CG1 4.42Å; L932-I972 HydrophobicContact CD2-CG2 4.25Å
933	R	79.3	Confident	88.2	Confident	157 Å²	157	30.9 Å²	30.9	59%	0.592	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	16.4	177.5	-52.9	-174.2	-177.5	-162.8	0.8	115.6	L919 E929 V930 L931 G935	L919-R933 VanDerWaalsContact CD2-NH2 3.33Å; E929-R933 PolarHBondContact O-N 3.35Å; V930-R933 PolarHBondContact O-N 3.29Å; L931-R933 PolarHBondContact O-N 2.83Å; R933-G935 PolarHBondContact O-N 2.89Å
934	T	74.8	Confident	89	Confident	96 Å²	96	29.2 Å²	29.2	59%	0.589	15%	0.147	S	C	*	.	S	Bend	trans	-62.3	-13.6	178.4	46.7	0	0	0	0	113.8	L932	L932-T934 HydrophobicContact CB-CG2 4.22Å; L932-T934 PolarHBondContact O-N 3Å
935	G	75.6	Confident	89.5	Confident	8 Å²	8	27.6 Å²	27.6	8%	0.082	14%	0.139	C	C	.	.			trans	100.1	140.4	-161.6	0	0	0	0	0	109.3	A916 H917 R933	A916-G935 CarbonylContact O-C 3.55Å; A916-G935 WeakPolarHBondContact O-CA 3.28Å; H917-G935 WeakPolarHBondContact CE1-CA 3.2Å; H917-G935 WeakPolarHBondContact ND1-CA 3.5Å; H917-G935 PolarHBondContact ND1-N 3.03Å; R933-G935 PolarHBondContact O-N 2.89Å
936	Y	80.9	Confident	89.7	Confident	4 Å²	4	27.1 Å²	27.1	2%	0.016	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-142.4	153	179.5	60.6	-93.6	0	0	0	111.9	R836 L915 A916 S918 V930 C940	R836-Y936 VanDerWaalsContact CD-OH 3.28Å; R836-Y936 WeakPolarHBondContact CD-OH 3.46Å; R836-Y936 HydrophobicContact CG-CE2 4.14Å; R836-Y936 PolarHBondContact NH1-OH 3.25Å; L915-Y936 WeakPolarHBondContact CA-O 3.39Å; A916-Y936 HydrophobicContact CB-CD2 4.05Å; A916-Y936 HydrophobicContact CB-CE1 4.11Å; A916-Y936 HydrophobicContact CB-CE2 3.49Å; A916-Y936 VanDerWaalsContact CB-CE2 3.49Å; A916-Y936 PolarHBondContact N-O 3.42Å; A916-Y936 WeakPolarHBondContact O-CD1 3.37Å; A916-Y936 WeakPolarHBondContact O-CE1 3.36Å; A916-Y936 PolarHBondContact O-N 2.84Å; S918-Y936 VanDerWaalsContact O-CE1 3.31Å; S918-Y936 WeakPolarHBondContact O-CE1 3.49Å; S918-Y936 PolarHBondContact O-OH 3.42Å; V930-Y936 HydrophobicContact CB-CD1 4.04Å; V930-Y936 HydrophobicContact CB-CE1 4.2Å; V930-Y936 HydrophobicContact CB-CG 4.48Å; V930-Y936 HydrophobicContact CG1-CD1 4.14Å; V930-Y936 HydrophobicContact CG1-CE1 3.77Å; V930-Y936 HydrophobicContact CG2-CD1 3.72Å; V930-Y936 HydrophobicContact CG2-CD2 3.94Å; V930-Y936 HydrophobicContact CG2-CE1 4.06Å; V930-Y936 HydrophobicContact CG2-CE2 4.26Å; V930-Y936 HydrophobicContact CG2-CG 3.67Å; Y936-C940 HydrophobicContact CD2-CB 4.25Å
937	T	87.9	Confident	90	Very high	33 Å²	33	26.6 Å²	26.6	20%	0.202	13%	0.134	C	C	.	.			trans	-110.8	-172	-178.6	64.4	0	0	0	0	110.6	L915 L939 C940	L915-T937 HydrophobicContact CD2-CG2 3.67Å; T937-L939 PolarHBondContact O-N 3.33Å; T937-L939 WeakPolarHBondContact OG1-CG 3.31Å; T937-L939 PolarHBondContact OG1-N 3.14Å; T937-C940 PolarHBondContact O-N 3.17Å; T937-C940 PolarHBondContact O-SG 2.76Å
938	Q	90.7	Very high	90.3	Very high	86 Å²	86	26.5 Å²	26.5	40%	0.402	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-17.9	175.5	77.1	-169.6	74.9	0	0	114.4	H829 I834 C940 D941	H829-Q938 PolarHBondContact CE1-O 3.42Å; H829-Q938 PolarHBondContact ND1-NE2 3.07Å; I834-Q938 HydrophobicContact CD1-CB 4.25Å; I834-Q938 HydrophobicContact CG1-CB 3.89Å; Q938-C940 PolarHBondContact O-N 3.26Å; Q938-C940 VanDerWaalsContact O-N 3.15Å; Q938-D941 PolarHBondContact O-N 3.5Å; Q938-D941 VanDerWaalsContact O-N 3.17Å
939	L	92.8	Very high	90.5	Very high	18 Å²	18	26.3 Å²	26.3	9%	0.094	13%	0.132	C	C	.	.	H	α-helix	trans	-62.6	-19.8	178.5	-56.2	-177.9	0	0	0	113.3	T937 D941 W942 W943 P1001 R1004 G1006 K1007	T937-L939 PolarHBondContact O-N 3.33Å; T937-L939 WeakPolarHBondContact OG1-CG 3.31Å; T937-L939 PolarHBondContact OG1-N 3.14Å; L939-D941 PolarHBondContact O-N 2.9Å; L939-W942 PolarHBondContact O-N 2.68Å; L939-W943 PolarHBondContact O-N 3.24Å; L939-P1001 HydrophobicContact CD1-CB 4.44Å; L939-R1004 PolarHBondContact O-NH1 2.73Å; L939-G1006 WeakPolarHBondContact CD2-O 3.32Å; L939-K1007 HydrophobicContact CD1-CB 4.33Å; L939-K1007 HydrophobicContact CD1-CG 4.2Å
940	C	93.7	Very high	90.9	Very high	4 Å²	4	26.1 Å²	26.1	3%	0.027	13%	0.131	C	C	.	.	H	α-helix	trans	-62.8	-30.3	175.4	64.3	0	0	0	0	112.8	A927 V930 Y936 T937 Q938 W942 W943 S944	A927-C940 HydrophobicContact CB-CB 3.79Å; V930-C940 HydrophobicContact CG2-CB 3.92Å; Y936-C940 HydrophobicContact CD2-CB 4.25Å; T937-C940 PolarHBondContact O-N 3.17Å; T937-C940 PolarHBondContact O-SG 2.76Å; Q938-C940 PolarHBondContact O-N 3.26Å; Q938-C940 VanDerWaalsContact O-N 3.15Å; C940-W942 VanDerWaalsContact C-N 3.35Å; C940-W943 WeakPolarHBondContact O-CB 3.06Å; C940-W943 PolarHBondContact O-N 2.83Å; C940-S944 PolarHBondContact O-N 2.81Å; C940-S944 PolarHBondContact O-OG 2.77Å
941	D	95.8	Very high	91.3	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-68.8	-34.1	175.8	-63.2	-31.9	0	0	0	111.3	V825 H829 I834 H835 R836 I838 Q938 L939 W943 S944 V945	V825-D941 HydrophobicContact CG1-CB 3.76Å; H829-D941 IonicContact CD2-OD2 2.7Å; H829-D941 IonicContact CE1-OD2 3.27Å; H829-D941 IonicContact NE2-OD2 3.97Å; H829-D941 PolarHBondContact NE2-OD2 3Å; I834-D941 WeakPolarHBondContact CG2-OD2 3.46Å; H835-D941 PolarHBondContact N-OD1 2.95Å; H835-D941 PolarHBondContact N-OD2 2.98Å; R836-D941 PolarHBondContact N-OD1 3.41Å; I838-D941 HydrophobicContact CG1-CB 4.22Å; Q938-D941 PolarHBondContact O-N 3.5Å; Q938-D941 VanDerWaalsContact O-N 3.17Å; L939-D941 PolarHBondContact O-N 2.9Å; D941-W943 VanDerWaalsContact C-N 3.31Å; D941-W943 PolarHBondContact O-N 3.35Å; D941-S944 WeakPolarHBondContact O-CB 3.44Å; D941-S944 PolarHBondContact O-N 3.17Å; D941-S944 VanDerWaalsContact O-N 3.13Å; D941-V945 WeakPolarHBondContact O-CG2 3.33Å; D941-V945 PolarHBondContact O-N 3.39Å
942	W	97.4	Very high	91.9	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-67.2	-29.6	176.7	-60.6	138.7	0	0	0	113.6	T822 V825 E826 H829 L939 C940 V945 G946 L997 A1010 I1013	T822-W942 HydrophobicContact CG2-CH2 4.37Å; T822-W942 HydrophobicContact CG2-CZ3 4.22Å; V825-W942 HydrophobicContact CB-CE3 4.45Å; V825-W942 HydrophobicContact CB-CH2 3.84Å; V825-W942 HydrophobicContact CB-CZ3 3.65Å; V825-W942 HydrophobicContact CG1-CD2 4.44Å; V825-W942 HydrophobicContact CG1-CE3 3.96Å; V825-W942 HydrophobicContact CG1-CH2 3.61Å; V825-W942 HydrophobicContact CG1-CZ2 4.13Å; V825-W942 HydrophobicContact CG1-CZ3 3.52Å; E826-W942 HydrophobicContact CB-CH2 4.22Å; H829-W942 AromaticContact CE1-CE2 3.89Å; H829-W942 AromaticContact CE1-CZ2 3.92Å; H829-W942 AromaticContact ND1-CE2 3.99Å; H829-W942 AromaticContact ND1-CZ2 3.72Å; L939-W942 PolarHBondContact O-N 2.68Å; C940-W942 VanDerWaalsContact C-N 3.35Å; W942-V945 HydrophobicContact CE3-CG2 4.05Å; W942-V945 HydrophobicContact CZ3-CG2 4.41Å; W942-G946 PolarHBondContact O-N 2.93Å; W942-L997 HydrophobicContact CB-CD2 4.3Å; W942-A1010 HydrophobicContact CH2-CB 3.85Å; W942-A1010 HydrophobicContact CZ2-CB 3.71Å; W942-I1013 HydrophobicContact CB-CD1 4.37Å; W942-I1013 HydrophobicContact CD2-CD1 3.41Å; W942-I1013 VanDerWaalsContact CD2-CD1 3.41Å; W942-I1013 HydrophobicContact CE3-CD1 3.47Å; W942-I1013 VanDerWaalsContact CE3-CD1 3.47Å; W942-I1013 HydrophobicContact CG-CD1 3.81Å; W942-I1013 HydrophobicContact CH2-CD1 4.35Å; W942-I1013 HydrophobicContact CZ2-CD1 4.29Å; W942-I1013 HydrophobicContact CZ3-CD1 3.96Å
943	W	97.3	Very high	92.5	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.2	-48	169.4	172.6	-83.8	0	0	0	110.5	I926 A927 P928 L939 C940 D941 V945 G946 V947 F959 V971 W974 C998 R999	I926-W943 PolarHBondContact O-NE1 3.4Å; A927-W943 VanDerWaalsContact CA-CD1 3.47Å; A927-W943 HydrophobicContact CB-CB 3.67Å; A927-W943 HydrophobicContact CB-CD2 4.21Å; A927-W943 HydrophobicContact CB-CG 3.64Å; P928-W943 HydrophobicContact CG-CE3 4.26Å; P928-W943 HydrophobicContact CG-CH2 3.93Å; P928-W943 HydrophobicContact CG-CZ2 4.37Å; P928-W943 HydrophobicContact CG-CZ3 3.86Å; L939-W943 PolarHBondContact O-N 3.24Å; C940-W943 WeakPolarHBondContact O-CB 3.06Å; C940-W943 PolarHBondContact O-N 2.83Å; D941-W943 VanDerWaalsContact C-N 3.31Å; D941-W943 PolarHBondContact O-N 3.35Å; W943-V945 VanDerWaalsContact C-N 3.31Å; W943-V945 PolarHBondContact O-N 2.79Å; W943-G946 WeakPolarHBondContact O-CA 3.36Å; W943-G946 PolarHBondContact O-N 3.08Å; W943-V947 WeakPolarHBondContact O-CG2 3.4Å; W943-V947 PolarHBondContact O-N 3.37Å; W943-F959 HydrophobicContact CH2-CE2 4.18Å; W943-F959 HydrophobicContact CH2-CZ 4.04Å; W943-F959 HydrophobicContact CZ2-CD2 4.3Å; W943-F959 AromaticContact CZ2-CE2 3.39Å; W943-F959 HydrophobicContact CZ2-CE2 3.39Å; W943-F959 AromaticContact CZ2-CZ 3.7Å; W943-F959 HydrophobicContact CZ2-CZ 3.7Å; W943-V971 HydrophobicContact CZ2-CG1 4.09Å; W943-W974 HydrophobicContact CH2-CB 3.59Å; W943-W974 AromaticContact CH2-CD1 3.94Å; W943-W974 HydrophobicContact CH2-CD2 4.19Å; W943-W974 AromaticContact CH2-CG 3.61Å; W943-W974 HydrophobicContact CH2-CG 3.61Å; W943-W974 HydrophobicContact CZ2-CB 4.37Å; W943-W974 HydrophobicContact CZ3-CD2 4.3Å; W943-W974 HydrophobicContact CZ3-CG 4.15Å; W943-C998 HydrophobicContact CE3-CB 4.34Å; W943-C998 HydrophobicContact CH2-CB 4.37Å; W943-C998 HydrophobicContact CZ3-CB 4.16Å; W943-C998 WeakPolarHBondContact CZ3-O 3.49Å; W943-R999 VanDerWaalsContact CE3-O 3.31Å; W943-R999 WeakPolarHBondContact CZ3-O 3.08Å
944	S	97.4	Very high	93.2	Very high	6 Å²	6	14.8 Å²	14.8	4%	0.042	8%	0.083	C	C	.	.	H	α-helix	trans	-61.2	-38	178.9	-49.6	0	0	0	0	112.2	I838 Y925 C940 D941 G946 V947 I948	I838-S944 WeakPolarHBondContact O-CB 3.44Å; Y925-S944 PolarHBondContact O-OG 3.06Å; C940-S944 PolarHBondContact O-N 2.81Å; C940-S944 PolarHBondContact O-OG 2.77Å; D941-S944 WeakPolarHBondContact O-CB 3.44Å; D941-S944 PolarHBondContact O-N 3.17Å; D941-S944 VanDerWaalsContact O-N 3.13Å; S944-G946 VanDerWaalsContact C-N 3.32Å; S944-G946 PolarHBondContact O-N 3.27Å; S944-V947 PolarHBondContact O-N 2.54Å; S944-I948 VanDerWaalsContact O-CG1 3.31Å; S944-I948 WeakPolarHBondContact O-CG1 3.35Å; S944-I948 PolarHBondContact O-N 3.45Å
945	V	98.1	Very high	93.9	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.006	7%	0.073	C	C	.	.	H	α-helix	trans	-58.6	-41.7	170.8	176.6	0	0	0	0	111.7	T818 L821 V825 I838 D941 W942 W943 I948 L949 L997	T818-V945 HydrophobicContact CG2-CG1 3.82Å; L821-V945 HydrophobicContact CD2-CB 4.42Å; L821-V945 HydrophobicContact CD2-CG1 4.22Å; L821-V945 HydrophobicContact CD2-CG2 3.93Å; L821-V945 HydrophobicContact CG-CG2 3.97Å; V825-V945 HydrophobicContact CG2-CG2 4.21Å; I838-V945 HydrophobicContact CG2-CG2 4.43Å; D941-V945 WeakPolarHBondContact O-CG2 3.33Å; D941-V945 PolarHBondContact O-N 3.39Å; W942-V945 HydrophobicContact CE3-CG2 4.05Å; W942-V945 HydrophobicContact CZ3-CG2 4.41Å; W943-V945 VanDerWaalsContact C-N 3.31Å; W943-V945 PolarHBondContact O-N 2.79Å; V945-I948 PolarHBondContact O-N 3.33Å; V945-L949 WeakPolarHBondContact O-CB 3.14Å; V945-L949 PolarHBondContact O-N 2.77Å; V945-L997 HydrophobicContact CG1-CD1 4.23Å
946	G	97.9	Very high	94.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-65.8	-37.9	175.1	0	0	0	0	0	113.9	W942 W943 S944 F950 C998	W942-G946 PolarHBondContact O-N 2.93Å; W943-G946 WeakPolarHBondContact O-CA 3.36Å; W943-G946 PolarHBondContact O-N 3.08Å; S944-G946 VanDerWaalsContact C-N 3.32Å; S944-G946 PolarHBondContact O-N 3.27Å; G946-F950 PolarHBondContact O-N 3.09Å; G946-F950 VanDerWaalsContact O-N 3.08Å; G946-C998 VanDerWaalsContact C-SG 3.56Å
947	V	98	Very high	95.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.7	-45.5	174.1	174.6	0	0	0	0	110.8	N924 Y925 W943 S944 F950 E951 P957 P958 F959	N924-V947 WeakPolarHBondContact O-CG1 3.38Å; Y925-V947 HydrophobicContact CD1-CB 4.18Å; Y925-V947 HydrophobicContact CD1-CG1 3.42Å; Y925-V947 VanDerWaalsContact CD1-CG1 3.42Å; Y925-V947 HydrophobicContact CE1-CG1 3.93Å; Y925-V947 HydrophobicContact CG-CG1 4.26Å; W943-V947 WeakPolarHBondContact O-CG2 3.4Å; W943-V947 PolarHBondContact O-N 3.37Å; S944-V947 PolarHBondContact O-N 2.54Å; V947-F950 PolarHBondContact O-N 2.7Å; V947-E951 WeakPolarHBondContact O-CB 3.46Å; V947-E951 PolarHBondContact O-N 2.73Å; V947-P957 HydrophobicContact CG1-CB 4.15Å; V947-P958 HydrophobicContact CG1-CG 4.37Å; V947-P958 HydrophobicContact CG2-CG 4.47Å; V947-F959 HydrophobicContact CG2-CE2 4.22Å
948	I	97.9	Very high	95.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-67	-39.2	178.5	-64.7	169.9	0	0	0	111.1	M799 L821 I838 P840 I843 Y925 S944 V945 F950 E951 M952	M799-I948 HydrophobicContact SD-CG2 4.31Å; L821-I948 HydrophobicContact CD2-CD1 4.19Å; I838-I948 HydrophobicContact CG2-CD1 3.58Å; P840-I948 HydrophobicContact CG-CG1 4.34Å; I843-I948 HydrophobicContact CD1-CD1 3.88Å; Y925-I948 HydrophobicContact CD1-CG1 4.01Å; Y925-I948 HydrophobicContact CE1-CG1 4.1Å; S944-I948 VanDerWaalsContact O-CG1 3.31Å; S944-I948 WeakPolarHBondContact O-CG1 3.35Å; S944-I948 PolarHBondContact O-N 3.45Å; V945-I948 PolarHBondContact O-N 3.33Å; I948-F950 PolarHBondContact O-N 2.8Å; I948-E951 PolarHBondContact O-N 2.92Å; I948-M952 HydrophobicContact CG2-CE 4.19Å; I948-M952 HydrophobicContact CG2-CG 4.21Å; I948-M952 HydrophobicContact CG2-SD 4.32Å; I948-M952 WeakPolarHBondContact O-CB 3.18Å; I948-M952 WeakPolarHBondContact O-CG 3.35Å; I948-M952 PolarHBondContact O-N 3Å
949	L	98.3	Very high	95.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.4	-43.1	173.6	173.8	61.6	0	0	0	111.9	A814 T818 V945 M952 L953 L993 I994 F1018	A814-L949 HydrophobicContact CB-CD1 4.43Å; T818-L949 HydrophobicContact CG2-CB 4.45Å; T818-L949 HydrophobicContact CG2-CD2 4.44Å; V945-L949 WeakPolarHBondContact O-CB 3.14Å; V945-L949 PolarHBondContact O-N 2.77Å; L949-M952 HydrophobicContact CD1-CE 4.47Å; L949-L953 HydrophobicContact CD1-CD1 3.56Å; L949-L953 HydrophobicContact CD1-CG 4.14Å; L949-L953 HydrophobicContact CG-CD1 4.14Å; L949-L953 WeakPolarHBondContact O-CB 3.16Å; L949-L953 VanDerWaalsContact O-CG 3.29Å; L949-L953 WeakPolarHBondContact O-CG 3.02Å; L949-L953 PolarHBondContact O-N 3.33Å; L949-L993 HydrophobicContact CD2-CB 4.15Å; L949-L993 HydrophobicContact CD2-CD2 3.59Å; L949-L993 HydrophobicContact CD2-CG 3.77Å; L949-I994 HydrophobicContact CB-CG1 4.33Å; L949-I994 HydrophobicContact CD2-CG1 3.68Å; L949-I994 HydrophobicContact CG-CD1 4.21Å; L949-I994 HydrophobicContact CG-CG1 3.72Å; L949-F1018 HydrophobicContact CD1-CE1 4.07Å; L949-F1018 HydrophobicContact CD1-CZ 3.93Å; L949-F1018 HydrophobicContact CD2-CE1 4.42Å
950	F	97.8	Very high	95.5	Very high	5 Å²	5	14.4 Å²	14.4	2%	0.022	8%	0.084	C	C	.	.	H	α-helix	trans	-61.4	-46.6	172.4	-178.5	-73.1	0	0	0	110.9	G946 V947 I948 L953 V954 Q956 P958 L978 I980 I994	G946-F950 PolarHBondContact O-N 3.09Å; G946-F950 VanDerWaalsContact O-N 3.08Å; V947-F950 PolarHBondContact O-N 2.7Å; I948-F950 PolarHBondContact O-N 2.8Å; F950-L953 CarbonylContact O-C 3.42Å; F950-L953 PolarHBondContact O-N 3.25Å; F950-L953 VanDerWaalsContact O-N 3.15Å; F950-V954 HydrophobicContact CD1-CB 3.85Å; F950-V954 HydrophobicContact CD1-CG1 4.37Å; F950-V954 HydrophobicContact CD1-CG2 3.91Å; F950-V954 HydrophobicContact CD2-CG2 4.25Å; F950-V954 HydrophobicContact CE1-CB 3.64Å; F950-V954 HydrophobicContact CE1-CG1 3.64Å; F950-V954 HydrophobicContact CE1-CG2 3.82Å; F950-V954 HydrophobicContact CE2-CG2 4.19Å; F950-V954 HydrophobicContact CG-CG2 4.14Å; F950-V954 HydrophobicContact CZ-CB 4.19Å; F950-V954 HydrophobicContact CZ-CG1 3.96Å; F950-V954 HydrophobicContact CZ-CG2 3.97Å; F950-V954 VanDerWaalsContact O-CB 3.27Å; F950-V954 WeakPolarHBondContact O-CB 3.27Å; F950-V954 WeakPolarHBondContact O-CG2 3.42Å; F950-V954 PolarHBondContact O-N 3.42Å; F950-Q956 VanDerWaalsContact CD1-O 3.27Å; F950-Q956 WeakPolarHBondContact CD1-O 3.47Å; F950-Q956 VanDerWaalsContact CE1-O 3.28Å; F950-Q956 WeakPolarHBondContact CE1-O 2.98Å; F950-P958 HydrophobicContact CB-CG 4.24Å; F950-P958 HydrophobicContact CD1-CB 3.83Å; F950-P958 VanDerWaalsContact CD1-CD 3.41Å; F950-P958 HydrophobicContact CD1-CG 4.02Å; F950-P958 HydrophobicContact CD2-CB 3.95Å; F950-P958 HydrophobicContact CD2-CG 4.38Å; F950-P958 HydrophobicContact CE1-CB 3.77Å; F950-P958 HydrophobicContact CE1-CG 4.44Å; F950-P958 HydrophobicContact CE2-CB 3.88Å; F950-P958 HydrophobicContact CG-CB 3.92Å; F950-P958 HydrophobicContact CG-CG 3.98Å; F950-P958 HydrophobicContact CZ-CB 3.79Å; F950-L978 HydrophobicContact CD2-CD1 4.34Å; F950-L978 HydrophobicContact CE2-CD1 4.36Å; F950-I980 HydrophobicContact CD2-CG1 4.17Å; F950-I980 HydrophobicContact CE2-CB 4.47Å; F950-I980 HydrophobicContact CE2-CG1 3.92Å; F950-I994 HydrophobicContact CB-CD1 4.08Å; F950-I994 HydrophobicContact CB-CG1 4.44Å; F950-I994 HydrophobicContact CB-CG2 4.15Å; F950-I994 HydrophobicContact CD2-CD1 4.4Å; F950-I994 HydrophobicContact CD2-CG2 4.11Å
951	E	96.3	Very high	95.4	Very high	10 Å²	10	15.5 Å²	15.5	5%	0.047	9%	0.093	C	C	.	.	H	α-helix	trans	-63.9	-43.6	-177.4	-167.5	178.5	-148.9	0	0	112.6	L803 P840 Y925 V947 I948 L953 V954 G955 P957	L803-E951 HydrophobicContact CD2-CB 4.5Å; L803-E951 HydrophobicContact CD2-CG 3.81Å; P840-E951 WeakPolarHBondContact CG-OE2 3.07Å; Y925-E951 VanDerWaalsContact CE1-OE2 3.28Å; Y925-E951 WeakPolarHBondContact CE1-OE2 3.3Å; Y925-E951 PolarHBondContact OH-OE1 2.79Å; Y925-E951 PolarHBondContact OH-OE2 3.35Å; V947-E951 WeakPolarHBondContact O-CB 3.46Å; V947-E951 PolarHBondContact O-N 2.73Å; I948-E951 PolarHBondContact O-N 2.92Å; E951-L953 PolarHBondContact O-N 3.38Å; E951-V954 PolarHBondContact O-N 2.82Å; E951-G955 VanDerWaalsContact O-CA 3.31Å; E951-G955 WeakPolarHBondContact O-CA 3.29Å; E951-G955 PolarHBondContact O-N 2.78Å; E951-P957 HydrophobicContact CG-CB 4.39Å; E951-P957 VanDerWaalsContact OE1-CD 3.29Å; E951-P957 WeakPolarHBondContact OE1-CD 3.5Å
952	M	97	Very high	94.8	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-58	-34.9	173.3	-72.2	-170.2	-61.1	0	0	112.3	M799 L803 V808 F809 A814 T818 I948 L949	M799-M952 HydrophobicContact SD-SD 3.98Å; L803-M952 HydrophobicContact CD2-CG 4.5Å; V808-M952 WeakPolarHBondContact CG1-O 3.34Å; F809-M952 HydrophobicContact CB-CB 4.33Å; F809-M952 HydrophobicContact CD2-CB 3.85Å; F809-M952 HydrophobicContact CD2-CG 3.6Å; F809-M952 HydrophobicContact CD2-SD 3.54Å; F809-M952 VanDerWaalsContact CD2-SD 3.54Å; F809-M952 HydrophobicContact CE2-CG 3.81Å; F809-M952 HydrophobicContact CE2-SD 3.67Å; F809-M952 HydrophobicContact CG-CB 4.32Å; F809-M952 HydrophobicContact CG-CG 4.47Å; F809-M952 PolarHBondContact N-O 3.02Å; A814-M952 HydrophobicContact CB-CB 4.09Å; A814-M952 HydrophobicContact CB-CE 4.11Å; A814-M952 HydrophobicContact CB-SD 4.48Å; T818-M952 WeakPolarHBondContact OG1-CE 3.36Å; I948-M952 HydrophobicContact CG2-CE 4.19Å; I948-M952 HydrophobicContact CG2-CG 4.21Å; I948-M952 HydrophobicContact CG2-SD 4.32Å; I948-M952 WeakPolarHBondContact O-CB 3.18Å; I948-M952 WeakPolarHBondContact O-CG 3.35Å; I948-M952 PolarHBondContact O-N 3Å; L949-M952 HydrophobicContact CD1-CE 4.47Å
953	L	96.9	Very high	94.2	Very high	8 Å²	8	27.7 Å²	27.7	4%	0.042	16%	0.155	C	C	.	.	H	α-helix	trans	-94.3	-16.8	-175	-70.1	179.3	0	0	0	115	V808 E811 A814 L949 F950 E951 L986 A990 I994	V808-L953 WeakPolarHBondContact CG1-O 3.41Å; E811-L953 HydrophobicContact CB-CD2 4.08Å; E811-L953 HydrophobicContact CG-CD2 3.94Å; A814-L953 HydrophobicContact CB-CD2 3.61Å; A814-L953 HydrophobicContact CB-CG 4.02Å; L949-L953 HydrophobicContact CD1-CD1 3.56Å; L949-L953 HydrophobicContact CD1-CG 4.14Å; L949-L953 HydrophobicContact CG-CD1 4.14Å; L949-L953 WeakPolarHBondContact O-CB 3.16Å; L949-L953 VanDerWaalsContact O-CG 3.29Å; L949-L953 WeakPolarHBondContact O-CG 3.02Å; L949-L953 PolarHBondContact O-N 3.33Å; F950-L953 CarbonylContact O-C 3.42Å; F950-L953 PolarHBondContact O-N 3.25Å; F950-L953 VanDerWaalsContact O-N 3.15Å; E951-L953 PolarHBondContact O-N 3.38Å; L953-L986 HydrophobicContact CB-CD1 4.09Å; L953-L986 HydrophobicContact CB-CD2 3.76Å; L953-L986 HydrophobicContact CD1-CD1 4.23Å; L953-L986 HydrophobicContact CD1-CD2 4.37Å; L953-L986 HydrophobicContact CD2-CD2 4.47Å; L953-L986 HydrophobicContact CG-CD2 4.43Å; L953-A990 HydrophobicContact CD1-CB 3.94Å; L953-I994 HydrophobicContact CD1-CD1 4.34Å
954	V	94.9	Very high	93.4	Very high	27 Å²	27	31.7 Å²	31.7	16%	0.164	18%	0.182	C	C	.	.	H	α-helix	trans	-121.3	-15.8	-175	-176.9	0	0	0	0	112.4	F950 E951 Q956 P981 A984 L986	F950-V954 HydrophobicContact CD1-CB 3.85Å; F950-V954 HydrophobicContact CD1-CG1 4.37Å; F950-V954 HydrophobicContact CD1-CG2 3.91Å; F950-V954 HydrophobicContact CD2-CG2 4.25Å; F950-V954 HydrophobicContact CE1-CB 3.64Å; F950-V954 HydrophobicContact CE1-CG1 3.64Å; F950-V954 HydrophobicContact CE1-CG2 3.82Å; F950-V954 HydrophobicContact CE2-CG2 4.19Å; F950-V954 HydrophobicContact CG-CG2 4.14Å; F950-V954 HydrophobicContact CZ-CB 4.19Å; F950-V954 HydrophobicContact CZ-CG1 3.96Å; F950-V954 HydrophobicContact CZ-CG2 3.97Å; F950-V954 VanDerWaalsContact O-CB 3.27Å; F950-V954 WeakPolarHBondContact O-CB 3.27Å; F950-V954 WeakPolarHBondContact O-CG2 3.42Å; F950-V954 PolarHBondContact O-N 3.42Å; E951-V954 PolarHBondContact O-N 2.82Å; V954-Q956 HydrophobicContact CG1-CG 4.5Å; V954-P981 HydrophobicContact CG1-CG 3.91Å; V954-A984 HydrophobicContact CG2-CB 4.27Å; V954-L986 HydrophobicContact CG2-CD1 4.25Å
955	G	89.2	Confident	92.9	Very high	36 Å²	36	36.9 Å²	36.9	37%	0.371	21%	0.208	S	C	.	.	S	Bend	trans	82	5.8	178.3	0	0	0	0	0	115.4	G807 E951	G807-G955 VanDerWaalsContact O-CA 3.25Å; G807-G955 WeakPolarHBondContact O-CA 3.37Å; E951-G955 VanDerWaalsContact O-CA 3.31Å; E951-G955 WeakPolarHBondContact O-CA 3.29Å; E951-G955 PolarHBondContact O-N 2.78Å
956	Q	90.7	Very high	92.5	Very high	99 Å²	99	40.4 Å²	40.4	46%	0.463	22%	0.224	S	C	.	.	S	Bend	trans	-158.7	153.3	173.7	60.3	174.8	-0.3	0	0	110.1	F950 V954 L960	F950-Q956 VanDerWaalsContact CD1-O 3.27Å; F950-Q956 WeakPolarHBondContact CD1-O 3.47Å; F950-Q956 VanDerWaalsContact CE1-O 3.28Å; F950-Q956 WeakPolarHBondContact CE1-O 2.98Å; V954-Q956 HydrophobicContact CG1-CG 4.5Å; Q956-L960 HydrophobicContact CB-CD2 4.28Å
957	P	93.2	Very high	92.2	Very high	8 Å²	8	40.6 Å²	40.6	5%	0.052	23%	0.226	C	C	.	.			trans	-76.4	146.3	-177.9	27.1	-27	0	0	0	111.3	N924 V947 E951 F959 L960	N924-P957 HydrophobicContact CB-CB 4.1Å; N924-P957 HydrophobicContact CB-CG 3.95Å; V947-P957 HydrophobicContact CG1-CB 4.15Å; E951-P957 HydrophobicContact CG-CB 4.39Å; E951-P957 VanDerWaalsContact OE1-CD 3.29Å; E951-P957 WeakPolarHBondContact OE1-CD 3.5Å; P957-F959 PolarHBondContact O-N 2.86Å; P957-L960 HydrophobicContact CG-CB 4.19Å; P957-L960 HydrophobicContact CG-CD1 4.4Å; P957-L960 WeakPolarHBondContact O-CB 3.29Å; P957-L960 PolarHBondContact O-N 3.09Å; P957-L960 VanDerWaalsContact O-N 3.16Å
958	P	94.8	Very high	91.8	Very high	19 Å²	19	43.3 Å²	43.3	12%	0.123	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.6	-168	21.8	-32.3	0	0	0	115.1	V947 F950 L978	V947-P958 HydrophobicContact CG1-CG 4.37Å; V947-P958 HydrophobicContact CG2-CG 4.47Å; F950-P958 HydrophobicContact CB-CG 4.24Å; F950-P958 HydrophobicContact CD1-CB 3.83Å; F950-P958 VanDerWaalsContact CD1-CD 3.41Å; F950-P958 HydrophobicContact CD1-CG 4.02Å; F950-P958 HydrophobicContact CD2-CB 3.95Å; F950-P958 HydrophobicContact CD2-CG 4.38Å; F950-P958 HydrophobicContact CE1-CB 3.77Å; F950-P958 HydrophobicContact CE1-CG 4.44Å; F950-P958 HydrophobicContact CE2-CB 3.88Å; F950-P958 HydrophobicContact CG-CB 3.92Å; F950-P958 HydrophobicContact CG-CG 3.98Å; F950-P958 HydrophobicContact CZ-CB 3.79Å; P958-L978 HydrophobicContact CB-CD1 3.6Å; P958-L978 HydrophobicContact CG-CD1 4.19Å
959	F	94.8	Very high	91.5	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	16.5	-176.3	-48.9	-62.9	0	0	0	113.2	W943 V947 P957 T967 K970 V971 W974 A977 L978	W943-F959 HydrophobicContact CH2-CE2 4.18Å; W943-F959 HydrophobicContact CH2-CZ 4.04Å; W943-F959 HydrophobicContact CZ2-CD2 4.3Å; W943-F959 AromaticContact CZ2-CE2 3.39Å; W943-F959 HydrophobicContact CZ2-CE2 3.39Å; W943-F959 AromaticContact CZ2-CZ 3.7Å; W943-F959 HydrophobicContact CZ2-CZ 3.7Å; V947-F959 HydrophobicContact CG2-CE2 4.22Å; P957-F959 PolarHBondContact O-N 2.86Å; F959-T967 HydrophobicContact CB-CG2 4.48Å; F959-T967 WeakPolarHBondContact O-CA 3.36Å; F959-T967 WeakPolarHBondContact O-CB 3.5Å; F959-T967 WeakPolarHBondContact O-CG2 3.41Å; F959-T967 PolarHBondContact O-OG1 3.15Å; F959-K970 HydrophobicContact CB-CB 4.01Å; F959-K970 HydrophobicContact CD1-CB 4.1Å; F959-K970 HydrophobicContact CG-CB 4.49Å; F959-V971 HydrophobicContact CB-CG2 3.69Å; F959-V971 HydrophobicContact CD2-CG2 3.69Å; F959-V971 HydrophobicContact CG-CG2 3.72Å; F959-W974 HydrophobicContact CE1-CB 3.92Å; F959-W974 HydrophobicContact CZ-CB 3.93Å; F959-A977 HydrophobicContact CD1-CB 4.26Å; F959-A977 HydrophobicContact CE1-CB 4.38Å; F959-L978 HydrophobicContact CE1-CB 4.02Å; F959-L978 HydrophobicContact CE1-CD1 4.4Å; F959-L978 HydrophobicContact CZ-CB 4.23Å; F959-L978 HydrophobicContact CZ-CD1 4.11Å
960	L	89.3	Confident	91.3	Very high	76 Å²	76	50.8 Å²	50.8	40%	0.398	27%	0.273	S	S	.	.			trans	-57.2	143.3	178.9	-169.9	62.3	0	0	0	111.6	Q956 P957 K970	Q956-L960 HydrophobicContact CB-CD2 4.28Å; P957-L960 HydrophobicContact CG-CB 4.19Å; P957-L960 HydrophobicContact CG-CD1 4.4Å; P957-L960 WeakPolarHBondContact O-CB 3.29Å; P957-L960 PolarHBondContact O-N 3.09Å; P957-L960 VanDerWaalsContact O-N 3.16Å; L960-K970 PolarHBondContact O-NZ 3.06Å
961	A	89.7	Confident	91.1	Very high	26 Å²	26	50.5 Å²	50.5	22%	0.215	27%	0.272	C	S	.	.			trans	-154.8	168.6	-173.1	0	0	0	0	0	111.6	T963 E966 T967 K970	A961-T963 VanDerWaalsContact C-N 3.3Å; A961-E966 HydrophobicContact CB-CB 3.74Å; A961-E966 VanDerWaalsContact CB-CD 3.47Å; A961-E966 HydrophobicContact CB-CG 3.82Å; A961-T967 WeakPolarHBondContact CB-OG1 3.43Å; A961-T967 PolarHBondContact N-OG1 3Å; A961-K970 HydrophobicContact CB-CD 4.37Å
962	Q	84	Confident	90.8	Very high	190 Å²	190	52.7 Å²	52.7	89%	0.888	28%	0.284	S	S	*	.	S	Bend	trans	-75.1	-22.1	177.3	-66	-174.2	-2.5	0	0	112.6	E966	Q962-E966 PolarHBondContact N-OE2 3.4Å
963	T	84.6	Confident	90.7	Very high	69 Å²	69	56.3 Å²	56.3	42%	0.423	30%	0.303	S	S	.	.	S	Bend	trans	-132.7	147.2	178.1	69.5	0	0	0	0	111.5	A961 L965 E966 T967	A961-T963 VanDerWaalsContact C-N 3.3Å; T963-L965 PolarHBondContact O-N 2.98Å; T963-E966 PolarHBondContact O-N 3.27Å; T963-E966 VanDerWaalsContact O-N 3.07Å; T963-E966 VanDerWaalsContact OG1-CB 3.32Å; T963-E966 WeakPolarHBondContact OG1-CB 3.42Å; T963-E966 PolarHBondContact OG1-N 2.87Å; T963-E966 VanDerWaalsContact OG1-N 3.16Å; T963-T967 PolarHBondContact O-N 3.17Å
964	P	81.8	Confident	90.5	Very high	85 Å²	85	57.7 Å²	57.7	55%	0.552	31%	0.308	S	S	*	.	H	α-helix	trans	-58	-29.9	175.8	-26.8	35.5	0	0	0	113.7	Q968	P964-Q968 WeakPolarHBondContact O-CB 3.42Å; P964-Q968 WeakPolarHBondContact O-CG 3.48Å; P964-Q968 PolarHBondContact O-N 3.26Å
965	L	85.5	Confident	90.4	Very high	115 Å²	115	63.9 Å²	63.9	60%	0.602	34%	0.335	S	S	*	.	H	α-helix	trans	-69.3	-41.5	175.7	-179.7	61.4	0	0	0	111.8	T963 Q968 M969	T963-L965 PolarHBondContact O-N 2.98Å; L965-Q968 PolarHBondContact O-N 3.37Å; L965-M969 WeakPolarHBondContact O-CG 3.36Å; L965-M969 PolarHBondContact O-N 2.99Å
966	E	90.8	Very high	90.7	Very high	74 Å²	74	68.1 Å²	68.1	35%	0.346	35%	0.354	S	S	.	.	H	α-helix	trans	-65.2	-40.6	174.6	-171.4	-155.2	147.6	0	0	110.9	A961 Q962 T963 M969 K970	A961-E966 HydrophobicContact CB-CB 3.74Å; A961-E966 VanDerWaalsContact CB-CD 3.47Å; A961-E966 HydrophobicContact CB-CG 3.82Å; Q962-E966 PolarHBondContact N-OE2 3.4Å; T963-E966 PolarHBondContact O-N 3.27Å; T963-E966 VanDerWaalsContact O-N 3.07Å; T963-E966 VanDerWaalsContact OG1-CB 3.32Å; T963-E966 WeakPolarHBondContact OG1-CB 3.42Å; T963-E966 PolarHBondContact OG1-N 2.87Å; T963-E966 VanDerWaalsContact OG1-N 3.16Å; E966-M969 PolarHBondContact O-N 3.37Å; E966-K970 WeakPolarHBondContact O-CG 3.44Å; E966-K970 PolarHBondContact O-N 2.92Å; E966-K970 WeakPolarHBondContact OE1-CE 2.99Å; E966-K970 IonicContact OE1-NZ 2.63Å; E966-K970 PolarHBondContact OE1-NZ 3.28Å
967	T	90.3	Very high	90.8	Very high	4 Å²	4	64.8 Å²	64.8	3%	0.025	34%	0.343	C	S	.	.	H	α-helix	trans	-58.6	-48.7	170.4	-75.1	0	0	0	0	111.5	P923 N924 F959 A961 T963 M969 K970 V971	P923-T967 HydrophobicContact CB-CG2 4.07Å; P923-T967 WeakPolarHBondContact O-CG2 3.12Å; N924-T967 WeakPolarHBondContact OD1-CG2 3.34Å; F959-T967 HydrophobicContact CB-CG2 4.48Å; F959-T967 WeakPolarHBondContact O-CA 3.36Å; F959-T967 WeakPolarHBondContact O-CB 3.5Å; F959-T967 WeakPolarHBondContact O-CG2 3.41Å; F959-T967 PolarHBondContact O-OG1 3.15Å; A961-T967 WeakPolarHBondContact CB-OG1 3.43Å; A961-T967 PolarHBondContact N-OG1 3Å; T963-T967 PolarHBondContact O-N 3.17Å; T967-M969 VanDerWaalsContact C-N 3.28Å; T967-M969 PolarHBondContact O-N 3.26Å; T967-K970 WeakPolarHBondContact O-CB 3.48Å; T967-K970 PolarHBondContact O-N 2.93Å; T967-K970 VanDerWaalsContact O-N 3.08Å; T967-V971 HydrophobicContact CG2-CG2 4.34Å; T967-V971 WeakPolarHBondContact O-CG2 3.44Å; T967-V971 PolarHBondContact O-N 2.68Å
968	Q	89.8	Confident	90.9	Very high	57 Å²	57	66 Å²	66	27%	0.266	35%	0.349	S	S	.	.	H	α-helix	trans	-58.8	-40.1	177.3	-75.1	168.9	5.2	0	0	112	L931 P964 L965 V971 I972	L931-Q968 HydrophobicContact CD1-CB 3.99Å; L931-Q968 HydrophobicContact CD1-CG 3.99Å; L931-Q968 HydrophobicContact CD2-CG 3.99Å; P964-Q968 WeakPolarHBondContact O-CB 3.42Å; P964-Q968 WeakPolarHBondContact O-CG 3.48Å; P964-Q968 PolarHBondContact O-N 3.26Å; L965-Q968 PolarHBondContact O-N 3.37Å; Q968-V971 PolarHBondContact O-N 2.7Å; Q968-I972 WeakPolarHBondContact O-CB 3.41Å; Q968-I972 VanDerWaalsContact O-CG1 3.28Å; Q968-I972 WeakPolarHBondContact O-CG1 3.49Å; Q968-I972 PolarHBondContact O-N 3.14Å
969	M	91.4	Very high	90.8	Very high	99 Å²	99	71.1 Å²	71.1	49%	0.488	37%	0.371	S	S	.	.	H	α-helix	trans	-67.9	-35.2	175.1	-70.2	-60.3	-67.2	0	0	112.6	L965 E966 T967 N973	L965-M969 WeakPolarHBondContact O-CG 3.36Å; L965-M969 PolarHBondContact O-N 2.99Å; E966-M969 PolarHBondContact O-N 3.37Å; T967-M969 VanDerWaalsContact C-N 3.28Å; T967-M969 PolarHBondContact O-N 3.26Å; M969-N973 WeakPolarHBondContact O-CB 3.29Å; M969-N973 PolarHBondContact O-N 2.98Å; M969-N973 PolarHBondContact O-ND2 3.4Å
970	K	93.9	Very high	90.7	Very high	58 Å²	58	72.7 Å²	72.7	25%	0.252	38%	0.379	S	S	.	.	H	α-helix	trans	-66.2	-43.1	171.6	-72.8	176	-171.2	172.5	0	112.1	F959 L960 A961 E966 T967 N973 W974 A977	F959-K970 HydrophobicContact CB-CB 4.01Å; F959-K970 HydrophobicContact CD1-CB 4.1Å; F959-K970 HydrophobicContact CG-CB 4.49Å; L960-K970 PolarHBondContact O-NZ 3.06Å; A961-K970 HydrophobicContact CB-CD 4.37Å; E966-K970 WeakPolarHBondContact O-CG 3.44Å; E966-K970 PolarHBondContact O-N 2.92Å; E966-K970 WeakPolarHBondContact OE1-CE 2.99Å; E966-K970 IonicContact OE1-NZ 2.63Å; E966-K970 PolarHBondContact OE1-NZ 3.28Å; T967-K970 WeakPolarHBondContact O-CB 3.48Å; T967-K970 PolarHBondContact O-N 2.93Å; T967-K970 VanDerWaalsContact O-N 3.08Å; K970-N973 CarbonylContact O-C 3.57Å; K970-N973 PolarHBondContact O-N 3.43Å; K970-W974 WeakPolarHBondContact O-CA 3.4Å; K970-W974 PolarHBondContact O-N 3.49Å; K970-A977 HydrophobicContact CB-CB 3.9Å; K970-A977 HydrophobicContact CG-CB 4.17Å; K970-A977 WeakPolarHBondContact O-CB 3.34Å
971	V	93.5	Very high	90.8	Very high	0 Å²	0	70 Å²	70	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-62.6	-45.1	175.8	171.6	0	0	0	0	111.2	I926 P928 L931 W943 F959 T967 Q968 N973 W974	I926-V971 VanDerWaalsContact O-CG1 3.27Å; I926-V971 WeakPolarHBondContact O-CG1 3.28Å; P928-V971 HydrophobicContact CB-CG1 4.23Å; L931-V971 HydrophobicContact CD1-CB 3.74Å; L931-V971 HydrophobicContact CD1-CG1 3.54Å; L931-V971 HydrophobicContact CG-CG1 4.47Å; W943-V971 HydrophobicContact CZ2-CG1 4.09Å; F959-V971 HydrophobicContact CB-CG2 3.69Å; F959-V971 HydrophobicContact CD2-CG2 3.69Å; F959-V971 HydrophobicContact CG-CG2 3.72Å; T967-V971 HydrophobicContact CG2-CG2 4.34Å; T967-V971 WeakPolarHBondContact O-CG2 3.44Å; T967-V971 PolarHBondContact O-N 2.68Å; Q968-V971 PolarHBondContact O-N 2.7Å; V971-N973 VanDerWaalsContact C-N 3.34Å; V971-N973 PolarHBondContact O-N 2.95Å; V971-W974 WeakPolarHBondContact O-CB 3.06Å; V971-W974 PolarHBondContact O-N 3.38Å
972	I	91.8	Very high	90.8	Very high	55 Å²	55	73.6 Å²	73.6	28%	0.282	39%	0.388	S	S	.	.	H	α-helix	trans	-63	-42.5	176.8	-70.5	165.6	0	0	0	110.7	L931 L932 Q968 W974	L931-I972 HydrophobicContact CB-CD1 4.2Å; L931-I972 HydrophobicContact CB-CG1 4.12Å; L931-I972 HydrophobicContact CD1-CD1 4.44Å; L931-I972 HydrophobicContact CD1-CG1 4.05Å; L932-I972 HydrophobicContact CD2-CD1 4.49Å; L932-I972 HydrophobicContact CD2-CG1 4.42Å; L932-I972 HydrophobicContact CD2-CG2 4.25Å; Q968-I972 WeakPolarHBondContact O-CB 3.41Å; Q968-I972 VanDerWaalsContact O-CG1 3.28Å; Q968-I972 WeakPolarHBondContact O-CG1 3.49Å; Q968-I972 PolarHBondContact O-N 3.14Å; I972-W974 VanDerWaalsContact C-N 3.31Å; I972-W974 PolarHBondContact O-N 3.25Å
973	N	93.1	Very high	90.9	Very high	77 Å²	77	71.7 Å²	71.7	41%	0.412	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	34.4	178.7	-60.8	-80.4	0	0	0	112.8	M969 K970 V971 Q975 T976 A977	M969-N973 WeakPolarHBondContact O-CB 3.29Å; M969-N973 PolarHBondContact O-N 2.98Å; M969-N973 PolarHBondContact O-ND2 3.4Å; K970-N973 CarbonylContact O-C 3.57Å; K970-N973 PolarHBondContact O-N 3.43Å; V971-N973 VanDerWaalsContact C-N 3.34Å; V971-N973 PolarHBondContact O-N 2.95Å; N973-Q975 PolarHBondContact O-N 3.14Å; N973-T976 PolarHBondContact O-N 2.8Å; N973-T976 PolarHBondContact O-OG1 3.5Å; N973-A977 PolarHBondContact O-N 2.99Å
974	W	94.1	Very high	91	Very high	37 Å²	37	69.9 Å²	69.9	14%	0.14	37%	0.371	C	S	.	.	H	α-helix	trans	-52.9	-30.6	-175	62.8	-87.8	0	0	0	114.4	W943 F959 K970 V971 I972 T976 A977 L978 C998 R999	W943-W974 HydrophobicContact CH2-CB 3.59Å; W943-W974 AromaticContact CH2-CD1 3.94Å; W943-W974 HydrophobicContact CH2-CD2 4.19Å; W943-W974 AromaticContact CH2-CG 3.61Å; W943-W974 HydrophobicContact CH2-CG 3.61Å; W943-W974 HydrophobicContact CZ2-CB 4.37Å; W943-W974 HydrophobicContact CZ3-CD2 4.3Å; W943-W974 HydrophobicContact CZ3-CG 4.15Å; F959-W974 HydrophobicContact CE1-CB 3.92Å; F959-W974 HydrophobicContact CZ-CB 3.93Å; K970-W974 WeakPolarHBondContact O-CA 3.4Å; K970-W974 PolarHBondContact O-N 3.49Å; V971-W974 WeakPolarHBondContact O-CB 3.06Å; V971-W974 PolarHBondContact O-N 3.38Å; I972-W974 VanDerWaalsContact C-N 3.31Å; I972-W974 PolarHBondContact O-N 3.25Å; W974-T976 PolarHBondContact O-N 2.91Å; W974-A977 PolarHBondContact O-N 3.47Å; W974-L978 WeakPolarHBondContact O-CB 3.38Å; W974-L978 PolarHBondContact O-N 3Å; W974-C998 WeakPolarHBondContact CZ3-O 3.14Å; W974-R999 HydrophobicContact CH2-CB 4.01Å; W974-R999 HydrophobicContact CH2-CG 4.09Å; W974-R999 HydrophobicContact CZ3-CB 4.43Å; W974-R999 HydrophobicContact CZ3-CG 4.18Å
975	Q	93.4	Very high	91.5	Very high	157 Å²	157	74.8 Å²	74.8	73%	0.734	38%	0.383	S	S	*	.	H	α-helix	trans	-59.5	-24.6	177.9	-64.5	-177.7	-22	0	0	113.7	N973	N973-Q975 PolarHBondContact O-N 3.14Å
976	T	93.6	Very high	91.9	Very high	125 Å²	125	70.6 Å²	70.6	77%	0.767	36%	0.361	S	S	*	.	H	α-helix	trans	-114.6	-19.9	175.8	57.8	0	0	0	0	113	N973 W974	N973-T976 PolarHBondContact O-N 2.8Å; N973-T976 PolarHBondContact O-OG1 3.5Å; W974-T976 PolarHBondContact O-N 2.91Å
977	A	93.6	Very high	92.1	Very high	30 Å²	30	69.2 Å²	69.2	25%	0.248	36%	0.358	C	S	.	.	H	α-helix	trans	-90.6	-26.2	-179.3	0	0	0	0	0	114.7	F959 K970 N973 W974 H979	F959-A977 HydrophobicContact CD1-CB 4.26Å; F959-A977 HydrophobicContact CE1-CB 4.38Å; K970-A977 HydrophobicContact CB-CB 3.9Å; K970-A977 HydrophobicContact CG-CB 4.17Å; K970-A977 WeakPolarHBondContact O-CB 3.34Å; N973-A977 PolarHBondContact O-N 2.99Å; W974-A977 PolarHBondContact O-N 3.47Å; A977-H979 PolarHBondContact O-N 3.22Å; A977-H979 VanDerWaalsContact O-N 3.13Å
978	L	94.9	Very high	92.4	Very high	34 Å²	34	73.7 Å²	73.7	18%	0.178	39%	0.388	C	S	.	.			trans	-75.5	100.9	-180	-179	62.3	0	0	0	110.5	F950 P958 F959 W974 C998	F950-L978 HydrophobicContact CD2-CD1 4.34Å; F950-L978 HydrophobicContact CE2-CD1 4.36Å; P958-L978 HydrophobicContact CB-CD1 3.6Å; P958-L978 HydrophobicContact CG-CD1 4.19Å; F959-L978 HydrophobicContact CE1-CB 4.02Å; F959-L978 HydrophobicContact CE1-CD1 4.4Å; F959-L978 HydrophobicContact CZ-CB 4.23Å; F959-L978 HydrophobicContact CZ-CD1 4.11Å; W974-L978 WeakPolarHBondContact O-CB 3.38Å; W974-L978 PolarHBondContact O-N 3Å; L978-C998 HydrophobicContact CD2-CB 3.7Å
979	H	92.3	Very high	92.7	Very high	126 Å²	126	75 Å²	75	58%	0.583	39%	0.394	S	S	*	.			trans	-124.3	118.4	176.7	-177.5	66.3	0	0	0	111.1	A977 P981	A977-H979 PolarHBondContact O-N 3.22Å; A977-H979 VanDerWaalsContact O-N 3.13Å; H979-P981 WeakPolarHBondContact O-CD 3.5Å
980	I	93.8	Very high	93	Very high	33 Å²	33	70.3 Å²	70.3	17%	0.169	37%	0.37	C	S	.	.			trans	-79.8	117.2	171.1	-61.4	176.5	0	0	0	107.9	F950 L986 I994 I995	F950-I980 HydrophobicContact CD2-CG1 4.17Å; F950-I980 HydrophobicContact CE2-CB 4.47Å; F950-I980 HydrophobicContact CE2-CG1 3.92Å; I980-L986 HydrophobicContact CG2-CD1 3.76Å; I980-L986 HydrophobicContact CG2-CG 4.27Å; I980-I994 HydrophobicContact CD1-CD1 4.44Å; I980-I995 HydrophobicContact CD1-CD1 4.09Å; I980-I995 HydrophobicContact CD1-CG1 4.25Å
981	P	91.4	Very high	93.1	Very high	19 Å²	19	68.8 Å²	68.8	12%	0.123	37%	0.367	C	S	.	.			trans	-70.4	128.9	-175.4	-17.8	32	0	0	0	111.5	V954 H979 Q983 A984	V954-P981 HydrophobicContact CG1-CG 3.91Å; H979-P981 WeakPolarHBondContact O-CD 3.5Å; P981-Q983 VanDerWaalsContact CB-CD 3.41Å; P981-Q983 HydrophobicContact CB-CG 4.32Å; P981-Q983 PolarHBondContact O-N 3.1Å; P981-A984 WeakPolarHBondContact O-CB 3.4Å; P981-A984 PolarHBondContact O-N 3.5Å
982	P	88.5	Confident	93.3	Very high	102 Å²	102	71.5 Å²	71.5	66%	0.662	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-56.8	-27.9	-176.9	-28.2	35.7	0	0	0	114.8	A984 K985	P982-A984 PolarHBondContact O-N 3.14Å; P982-K985 PolarHBondContact O-N 3.22Å
983	Q	87.1	Confident	93.6	Very high	149 Å²	149	68.9 Å²	68.9	70%	0.696	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-66.5	-17.6	176.8	66.7	-87.3	24	0	0	114.4	P981 K985	P981-Q983 VanDerWaalsContact CB-CD 3.41Å; P981-Q983 HydrophobicContact CB-CG 4.32Å; P981-Q983 PolarHBondContact O-N 3.1Å; Q983-K985 VanDerWaalsContact C-N 3.3Å
984	A	87.6	Confident	93.8	Very high	32 Å²	32	65.2 Å²	65.2	26%	0.264	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-72.4	-22.2	176.9	0	0	0	0	0	113	V954 P981 P982 L986	V954-A984 HydrophobicContact CG2-CB 4.27Å; P981-A984 WeakPolarHBondContact O-CB 3.4Å; P981-A984 PolarHBondContact O-N 3.5Å; P982-A984 PolarHBondContact O-N 3.14Å; A984-L986 HydrophobicContact CB-CD2 3.92Å; A984-L986 HydrophobicContact CB-CG 3.98Å; A984-L986 PolarHBondContact O-N 3.21Å
985	K	90.8	Very high	93.9	Very high	187 Å²	187	66.7 Å²	66.7	81%	0.813	36%	0.358	S	S	*	.			trans	54.4	30.9	175.8	-55.8	173.9	-175.1	172.6	0	115.1	P982 Q983	P982-K985 PolarHBondContact O-N 3.22Å; Q983-K985 VanDerWaalsContact C-N 3.3Å
986	L	93.7	Very high	94.1	Very high	27 Å²	27	62.4 Å²	62.4	14%	0.141	34%	0.338	C	S	.	.			trans	-59.9	152.6	179.5	-49.7	-170.7	0	0	0	111.7	L953 V954 I980 A984 A990 I994	L953-L986 HydrophobicContact CB-CD1 4.09Å; L953-L986 HydrophobicContact CB-CD2 3.76Å; L953-L986 HydrophobicContact CD1-CD1 4.23Å; L953-L986 HydrophobicContact CD1-CD2 4.37Å; L953-L986 HydrophobicContact CD2-CD2 4.47Å; L953-L986 HydrophobicContact CG-CD2 4.43Å; V954-L986 HydrophobicContact CG2-CD1 4.25Å; I980-L986 HydrophobicContact CG2-CD1 3.76Å; I980-L986 HydrophobicContact CG2-CG 4.27Å; A984-L986 HydrophobicContact CB-CD2 3.92Å; A984-L986 HydrophobicContact CB-CG 3.98Å; A984-L986 PolarHBondContact O-N 3.21Å; L986-A990 HydrophobicContact CB-CB 4.42Å; L986-I994 HydrophobicContact CD1-CD1 4.11Å
987	T	95.8	Very high	94.3	Very high	46 Å²	46	56.5 Å²	56.5	28%	0.282	30%	0.301	S	S	.	.			trans	-62.5	156.3	171	59.3	0	0	0	0	111.9	E811 E989 A990 S991	E811-T987 VanDerWaalsContact CD-OG1 3.3Å; E811-T987 WeakPolarHBondContact OE1-CB 3.37Å; E811-T987 WeakPolarHBondContact OE1-CG2 3.39Å; E811-T987 PolarHBondContact OE1-OG1 3Å; E811-T987 PolarHBondContact OE2-N 2.94Å; E811-T987 PolarHBondContact OE2-OG1 3.47Å; T987-E989 PolarHBondContact O-N 2.94Å; T987-A990 PolarHBondContact O-N 3.12Å; T987-A990 VanDerWaalsContact OG1-CB 3.28Å; T987-A990 WeakPolarHBondContact OG1-CB 3.29Å; T987-A990 PolarHBondContact OG1-N 2.9Å; T987-S991 WeakPolarHBondContact O-CB 3.39Å; T987-S991 PolarHBondContact O-N 3.27Å; T987-S991 PolarHBondContact O-OG 3.02Å
988	P	96	Very high	94.4	Very high	98 Å²	98	55 Å²	55	64%	0.636	29%	0.289	S	S	*	.	H	α-helix	trans	-53	-39.9	166.9	-25.3	34.8	0	0	0	112.2	S991 D992	P988-S991 PolarHBondContact O-N 3.4Å; P988-D992 WeakPolarHBondContact O-CB 3.1Å; P988-D992 PolarHBondContact O-N 3.17Å
989	E	97	Very high	94.4	Very high	84 Å²	84	57.7 Å²	57.7	39%	0.393	30%	0.297	S	S	.	.	H	α-helix	trans	-66.2	-46.4	-178.9	-68.9	72.8	-165.9	0	0	112.5	T987 D992 L993 H1016 P1017 F1018	T987-E989 PolarHBondContact O-N 2.94Å; E989-D992 PolarHBondContact O-N 3.31Å; E989-L993 PolarHBondContact O-N 2.89Å; E989-H1016 PolarHBondContact O-CE1 3.48Å; E989-P1017 HydrophobicContact CG-CB 4.07Å; E989-F1018 HydrophobicContact CB-CB 4.22Å; E989-F1018 HydrophobicContact CB-CD2 4.46Å
990	A	97	Very high	94.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.2	-45.4	174.5	0	0	0	0	0	111.5	E811 L953 L986 T987 D992 L993 I994 F1018	E811-A990 HydrophobicContact CG-CB 4.45Å; L953-A990 HydrophobicContact CD1-CB 3.94Å; L986-A990 HydrophobicContact CB-CB 4.42Å; T987-A990 PolarHBondContact O-N 3.12Å; T987-A990 VanDerWaalsContact OG1-CB 3.28Å; T987-A990 WeakPolarHBondContact OG1-CB 3.29Å; T987-A990 PolarHBondContact OG1-N 2.9Å; A990-D992 PolarHBondContact O-N 3.24Å; A990-L993 PolarHBondContact O-N 2.85Å; A990-I994 WeakPolarHBondContact O-CG1 3.35Å; A990-I994 PolarHBondContact O-N 2.89Å; A990-F1018 HydrophobicContact CB-CD2 3.81Å; A990-F1018 HydrophobicContact CB-CE2 3.61Å
991	S	96.8	Very high	94.1	Very high	26 Å²	26	52.7 Å²	52.7	18%	0.182	28%	0.28	C	S	.	.	H	α-helix	trans	-62	-43.9	179.4	-57.5	0	0	0	0	112.1	T987 P988 I995	T987-S991 WeakPolarHBondContact O-CB 3.39Å; T987-S991 PolarHBondContact O-N 3.27Å; T987-S991 PolarHBondContact O-OG 3.02Å; P988-S991 PolarHBondContact O-N 3.4Å; S991-I995 WeakPolarHBondContact O-CB 3.47Å; S991-I995 WeakPolarHBondContact O-CD1 3.13Å; S991-I995 VanDerWaalsContact O-CG1 3.23Å; S991-I995 WeakPolarHBondContact O-CG1 3.37Å; S991-I995 PolarHBondContact O-N 2.99Å
992	D	97.3	Very high	94.1	Very high	57 Å²	57	58 Å²	58	31%	0.305	30%	0.303	S	S	.	.	H	α-helix	trans	-66.5	-38.6	177.3	175.9	56.2	0	0	0	112	P988 E989 A990 I995 K996 H1016	P988-D992 WeakPolarHBondContact O-CB 3.1Å; P988-D992 PolarHBondContact O-N 3.17Å; E989-D992 PolarHBondContact O-N 3.31Å; A990-D992 PolarHBondContact O-N 3.24Å; D992-I995 PolarHBondContact O-N 3.14Å; D992-K996 VanDerWaalsContact O-CB 3.28Å; D992-K996 WeakPolarHBondContact O-CB 3.4Å; D992-K996 WeakPolarHBondContact O-CD 3.26Å; D992-K996 VanDerWaalsContact O-CG 3.24Å; D992-K996 WeakPolarHBondContact O-CG 3.46Å; D992-K996 PolarHBondContact O-N 3.2Å; D992-K996 WeakPolarHBondContact OD1-CD 3.36Å; D992-K996 WeakPolarHBondContact OD1-CE 3.45Å; D992-K996 IonicContact OD1-NZ 3.28Å; D992-K996 PolarHBondContact OD1-NZ 3.47Å; D992-K996 WeakPolarHBondContact OD2-CE 3.36Å; D992-K996 IonicContact OD2-NZ 2.71Å; D992-K996 PolarHBondContact OD2-NZ 2.98Å; D992-H1016 IonicContact OD1-NE2 3.15Å; D992-H1016 PolarHBondContact OD1-NE2 3.04Å; D992-H1016 IonicContact OD2-CD2 2.77Å; D992-H1016 IonicContact OD2-CE1 3.22Å; D992-H1016 PolarHBondContact OD2-CE1 2.88Å; D992-H1016 IonicContact OD2-NE2 2.77Å; D992-H1016 PolarHBondContact OD2-NE2 2.94Å
993	L	98.1	Very high	94.2	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.3	-48.1	174.7	-178.4	57.3	0	0	0	111.8	L949 E989 A990 I995 K996 L997 L1005 H1016 F1018 F1019	L949-L993 HydrophobicContact CD2-CB 4.15Å; L949-L993 HydrophobicContact CD2-CD2 3.59Å; L949-L993 HydrophobicContact CD2-CG 3.77Å; E989-L993 PolarHBondContact O-N 2.89Å; A990-L993 PolarHBondContact O-N 2.85Å; L993-I995 VanDerWaalsContact C-N 3.34Å; L993-I995 PolarHBondContact O-N 2.83Å; L993-K996 PolarHBondContact O-N 3.48Å; L993-K996 VanDerWaalsContact O-N 3.12Å; L993-L997 HydrophobicContact CD1-CD1 3.8Å; L993-L997 HydrophobicContact CD1-CG 3.94Å; L993-L997 HydrophobicContact CD2-CD1 4.5Å; L993-L997 HydrophobicContact CG-CD1 3.87Å; L993-L997 HydrophobicContact CG-CG 4.4Å; L993-L997 WeakPolarHBondContact O-CG 3.31Å; L993-L997 PolarHBondContact O-N 3.43Å; L993-L1005 HydrophobicContact CD1-CD2 3.67Å; L993-H1016 HydrophobicContact CD1-CB 4.19Å; L993-H1016 PolarHBondContact N-CE1 2.71Å; L993-H1016 VanDerWaalsContact N-CE1 3.25Å; L993-F1018 HydrophobicContact CB-CB 4.28Å; L993-F1018 HydrophobicContact CD2-CB 3.99Å; L993-F1018 HydrophobicContact CD2-CD1 3.29Å; L993-F1018 HydrophobicContact CD2-CE1 3.96Å; L993-F1018 HydrophobicContact CD2-CG 3.87Å; L993-F1019 HydrophobicContact CD2-CD2 4.5Å; L993-F1019 HydrophobicContact CD2-CE2 3.57Å; L993-F1019 HydrophobicContact CD2-CZ 3.63Å
994	I	97.7	Very high	94.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-55.8	-50.6	175.2	-66.7	165	0	0	0	110	L949 F950 L953 I980 L986 A990 K996 L997 C998	L949-I994 HydrophobicContact CB-CG1 4.33Å; L949-I994 HydrophobicContact CD2-CG1 3.68Å; L949-I994 HydrophobicContact CG-CD1 4.21Å; L949-I994 HydrophobicContact CG-CG1 3.72Å; F950-I994 HydrophobicContact CB-CD1 4.08Å; F950-I994 HydrophobicContact CB-CG1 4.44Å; F950-I994 HydrophobicContact CB-CG2 4.15Å; F950-I994 HydrophobicContact CD2-CD1 4.4Å; F950-I994 HydrophobicContact CD2-CG2 4.11Å; L953-I994 HydrophobicContact CD1-CD1 4.34Å; I980-I994 HydrophobicContact CD1-CD1 4.44Å; L986-I994 HydrophobicContact CD1-CD1 4.11Å; A990-I994 WeakPolarHBondContact O-CG1 3.35Å; A990-I994 PolarHBondContact O-N 2.89Å; I994-K996 PolarHBondContact O-N 3.47Å; I994-K996 VanDerWaalsContact O-N 3.16Å; I994-L997 PolarHBondContact O-N 3.03Å; I994-C998 WeakPolarHBondContact O-CB 3.41Å; I994-C998 PolarHBondContact O-N 2.74Å
995	I	96.5	Very high	94.9	Very high	68 Å²	68	51.8 Å²	51.8	35%	0.349	27%	0.265	S	S	.	.	H	α-helix	trans	-65.6	-17.6	-178.4	-71.1	168.3	0	0	0	112.8	I980 S991 D992 L993 R999	I980-I995 HydrophobicContact CD1-CD1 4.09Å; I980-I995 HydrophobicContact CD1-CG1 4.25Å; S991-I995 WeakPolarHBondContact O-CB 3.47Å; S991-I995 WeakPolarHBondContact O-CD1 3.13Å; S991-I995 VanDerWaalsContact O-CG1 3.23Å; S991-I995 WeakPolarHBondContact O-CG1 3.37Å; S991-I995 PolarHBondContact O-N 2.99Å; D992-I995 PolarHBondContact O-N 3.14Å; L993-I995 VanDerWaalsContact C-N 3.34Å; L993-I995 PolarHBondContact O-N 2.83Å; I995-R999 WeakPolarHBondContact O-CD 3.47Å; I995-R999 WeakPolarHBondContact O-CG 3.28Å; I995-R999 PolarHBondContact O-NE 3.48Å
996	K	96.8	Very high	94.9	Very high	68 Å²	68	43 Å²	43	30%	0.296	23%	0.227	S	C	.	.	H	α-helix	trans	-93.7	-32.5	176.5	-81.4	170.4	171.6	164.9	0	113.8	D992 L993 I994 L1005 H1016	D992-K996 VanDerWaalsContact O-CB 3.28Å; D992-K996 WeakPolarHBondContact O-CB 3.4Å; D992-K996 WeakPolarHBondContact O-CD 3.26Å; D992-K996 VanDerWaalsContact O-CG 3.24Å; D992-K996 WeakPolarHBondContact O-CG 3.46Å; D992-K996 PolarHBondContact O-N 3.2Å; D992-K996 WeakPolarHBondContact OD1-CD 3.36Å; D992-K996 WeakPolarHBondContact OD1-CE 3.45Å; D992-K996 IonicContact OD1-NZ 3.28Å; D992-K996 PolarHBondContact OD1-NZ 3.47Å; D992-K996 WeakPolarHBondContact OD2-CE 3.36Å; D992-K996 IonicContact OD2-NZ 2.71Å; D992-K996 PolarHBondContact OD2-NZ 2.98Å; L993-K996 PolarHBondContact O-N 3.48Å; L993-K996 VanDerWaalsContact O-N 3.12Å; I994-K996 PolarHBondContact O-N 3.47Å; I994-K996 VanDerWaalsContact O-N 3.16Å; K996-L1005 HydrophobicContact CB-CB 4.02Å; K996-L1005 HydrophobicContact CB-CD2 4.26Å; K996-L1005 PolarHBondContact O-N 3.45Å; K996-H1016 WeakPolarHBondContact CD-NE2 3.36Å; K996-H1016 WeakPolarHBondContact CE-NE2 3.29Å; K996-H1016 PolarHBondContact NZ-NE2 3.34Å
997	L	97.3	Very high	94.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-78.1	-40.9	173.2	-68.7	172.6	0	0	0	111.5	W942 V945 L993 I994 R999 R1004 L1005 I1013	W942-L997 HydrophobicContact CB-CD2 4.3Å; V945-L997 HydrophobicContact CG1-CD1 4.23Å; L993-L997 HydrophobicContact CD1-CD1 3.8Å; L993-L997 HydrophobicContact CD1-CG 3.94Å; L993-L997 HydrophobicContact CD2-CD1 4.5Å; L993-L997 HydrophobicContact CG-CD1 3.87Å; L993-L997 HydrophobicContact CG-CG 4.4Å; L993-L997 WeakPolarHBondContact O-CG 3.31Å; L993-L997 PolarHBondContact O-N 3.43Å; I994-L997 PolarHBondContact O-N 3.03Å; L997-R999 PolarHBondContact O-N 3.49Å; L997-R1004 VanDerWaalsContact O-CD 3.29Å; L997-R1004 WeakPolarHBondContact O-CD 3.46Å; L997-R1004 VanDerWaalsContact O-CG 3.27Å; L997-R1004 WeakPolarHBondContact O-CG 3.35Å; L997-R1004 PolarHBondContact O-NE 3.42Å; L997-L1005 HydrophobicContact CD2-CB 4.33Å; L997-I1013 HydrophobicContact CD2-CD1 3.86Å; L997-I1013 HydrophobicContact CD2-CG1 4.08Å
998	C	96.4	Very high	94.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-83.8	53.6	177.4	-61.3	0	0	0	0	112.5	W943 G946 W974 L978 I994	W943-C998 HydrophobicContact CE3-CB 4.34Å; W943-C998 HydrophobicContact CH2-CB 4.37Å; W943-C998 HydrophobicContact CZ3-CB 4.16Å; W943-C998 WeakPolarHBondContact CZ3-O 3.49Å; G946-C998 VanDerWaalsContact C-SG 3.56Å; W974-C998 WeakPolarHBondContact CZ3-O 3.14Å; L978-C998 HydrophobicContact CD2-CB 3.7Å; I994-C998 WeakPolarHBondContact O-CB 3.41Å; I994-C998 PolarHBondContact O-N 2.74Å
999	R	94.4	Very high	94.1	Very high	90 Å²	90	46.5 Å²	46.5	34%	0.34	24%	0.242	S	C	.	.	S	Bend	trans	-116.3	168.3	172.6	-63.3	-162.1	165.7	-137.2	-7.3	113	W943 W974 I995 L997 D1003 R1004	W943-R999 VanDerWaalsContact CE3-O 3.31Å; W943-R999 WeakPolarHBondContact CZ3-O 3.08Å; W974-R999 HydrophobicContact CH2-CB 4.01Å; W974-R999 HydrophobicContact CH2-CG 4.09Å; W974-R999 HydrophobicContact CZ3-CB 4.43Å; W974-R999 HydrophobicContact CZ3-CG 4.18Å; I995-R999 WeakPolarHBondContact O-CD 3.47Å; I995-R999 WeakPolarHBondContact O-CG 3.28Å; I995-R999 PolarHBondContact O-NE 3.48Å; L997-R999 PolarHBondContact O-N 3.49Å; R999-D1003 HydrophobicContact CB-CB 4.43Å; R999-D1003 WeakPolarHBondContact CD-O 3.33Å; R999-R1004 HydrophobicContact CB-CB 4.46Å; R999-R1004 PolarHBondContact O-NE 3.36Å; R999-R1004 PolarHBondContact O-NH2 3.18Å
1000	G	90.8	Very high	94	Very high	16 Å²	16	42.8 Å²	42.8	17%	0.165	23%	0.225	C	C	.	.			trans	-59.8	151.1	164.2	0	0	0	0	0	111.5	E1002 D1003 R1004	G1000-E1002 PolarHBondContact O-N 2.85Å; G1000-D1003 PolarHBondContact O-N 2.91Å; G1000-R1004 PolarHBondContact O-N 3.22Å
1001	P	90.4	Very high	93.8	Very high	37 Å²	37	47.6 Å²	47.6	24%	0.24	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-20	-165.9	24.9	-35.4	0	0	0	114.7	E929 L939	E929-P1001 HydrophobicContact CB-CG 4.24Å; E929-P1001 HydrophobicContact CG-CG 4.28Å; L939-P1001 HydrophobicContact CD1-CB 4.44Å
1002	E	89.4	Confident	93.8	Very high	130 Å²	130	49.4 Å²	49.4	61%	0.607	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-26.5	176.7	-65.5	-56	141.3	0	0	113.9	G1000 K1007	G1000-E1002 PolarHBondContact O-N 2.85Å; E1002-K1007 VanDerWaalsContact O-CD 3.26Å; E1002-K1007 WeakPolarHBondContact O-CD 3.27Å; E1002-K1007 WeakPolarHBondContact O-CE 3.32Å; E1002-K1007 PolarHBondContact O-NZ 2.96Å; E1002-K1007 WeakPolarHBondContact OE2-CE 3.14Å; E1002-K1007 IonicContact OE2-NZ 2.64Å; E1002-K1007 PolarHBondContact OE2-NZ 3.38Å
1003	D	91.8	Very high	93.7	Very high	118 Å²	118	46.7 Å²	46.7	63%	0.631	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.8	6.8	-177.7	-59.1	-50	0	0	0	112.6	R999 G1000	R999-D1003 HydrophobicContact CB-CB 4.43Å; R999-D1003 WeakPolarHBondContact CD-O 3.33Å; G1000-D1003 PolarHBondContact O-N 2.91Å
1004	R	95.3	Very high	93.6	Very high	5 Å²	5	48.3 Å²	48.3	2%	0.019	25%	0.249	C	C	.	.			trans	-78.6	133.1	-174.7	-168.3	176	-58.5	147.3	5.4	111.3	E929 L939 L997 R999 G1000 G1006 K1007	E929-R1004 IonicContact OE1-CZ 2.74Å; E929-R1004 IonicContact OE1-NH1 2.79Å; E929-R1004 PolarHBondContact OE1-NH1 3.29Å; E929-R1004 IonicContact OE1-NH2 2.74Å; E929-R1004 PolarHBondContact OE1-NH2 3.31Å; E929-R1004 IonicContact OE2-CZ 3.97Å; E929-R1004 IonicContact OE2-NH1 3.94Å; E929-R1004 IonicContact OE2-NH2 2.71Å; E929-R1004 PolarHBondContact OE2-NH2 2.72Å; L939-R1004 PolarHBondContact O-NH1 2.73Å; L997-R1004 VanDerWaalsContact O-CD 3.29Å; L997-R1004 WeakPolarHBondContact O-CD 3.46Å; L997-R1004 VanDerWaalsContact O-CG 3.27Å; L997-R1004 WeakPolarHBondContact O-CG 3.35Å; L997-R1004 PolarHBondContact O-NE 3.42Å; R999-R1004 HydrophobicContact CB-CB 4.46Å; R999-R1004 PolarHBondContact O-NE 3.36Å; R999-R1004 PolarHBondContact O-NH2 3.18Å; G1000-R1004 PolarHBondContact O-N 3.22Å; R1004-G1006 PolarHBondContact O-N 3.29Å; R1004-K1007 VanDerWaalsContact O-CB 3.29Å; R1004-K1007 WeakPolarHBondContact O-CB 3.46Å; R1004-K1007 PolarHBondContact O-N 3.2Å
1005	L	93.5	Very high	93.5	Very high	31 Å²	31	52.2 Å²	52.2	16%	0.162	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	135	172.6	-167.8	72	0	0	0	110.4	L993 K996 L997 E1012 I1013 H1016	L993-L1005 HydrophobicContact CD1-CD2 3.67Å; K996-L1005 HydrophobicContact CB-CB 4.02Å; K996-L1005 HydrophobicContact CB-CD2 4.26Å; K996-L1005 PolarHBondContact O-N 3.45Å; L997-L1005 HydrophobicContact CD2-CB 4.33Å; L1005-E1012 HydrophobicContact CD1-CB 3.85Å; L1005-E1012 HydrophobicContact CG-CB 4.27Å; L1005-I1013 HydrophobicContact CD2-CB 4.48Å; L1005-I1013 HydrophobicContact CD2-CG1 4.16Å; L1005-I1013 HydrophobicContact CG-CG1 3.95Å; L1005-H1016 HydrophobicContact CD2-CB 4.4Å
1006	G	91.3	Very high	93.6	Very high	2 Å²	2	49.4 Å²	49.4	2%	0.021	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.9	-1.7	-171.5	0	0	0	0	0	113.8	L939 R1004 N1008 G1009 E1012	L939-G1006 WeakPolarHBondContact CD2-O 3.32Å; R1004-G1006 PolarHBondContact O-N 3.29Å; G1006-N1008 VanDerWaalsContact C-N 3.26Å; G1006-N1008 PolarHBondContact O-N 3.46Å; G1006-G1009 WeakPolarHBondContact CA-O 3.3Å; G1006-G1009 PolarHBondContact O-N 2.69Å; G1006-E1012 WeakPolarHBondContact CA-OE2 3.34Å; G1006-E1012 PolarHBondContact N-OE2 3.14Å
1007	K	90.9	Very high	93.6	Very high	85 Å²	85	49.9 Å²	49.9	37%	0.37	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-37.3	174.1	-176.2	179.2	-170.7	-175.8	0	112.5	L939 E1002 R1004 E1012	L939-K1007 HydrophobicContact CD1-CB 4.33Å; L939-K1007 HydrophobicContact CD1-CG 4.2Å; E1002-K1007 VanDerWaalsContact O-CD 3.26Å; E1002-K1007 WeakPolarHBondContact O-CD 3.27Å; E1002-K1007 WeakPolarHBondContact O-CE 3.32Å; E1002-K1007 PolarHBondContact O-NZ 2.96Å; E1002-K1007 WeakPolarHBondContact OE2-CE 3.14Å; E1002-K1007 IonicContact OE2-NZ 2.64Å; E1002-K1007 PolarHBondContact OE2-NZ 3.38Å; R1004-K1007 VanDerWaalsContact O-CB 3.29Å; R1004-K1007 WeakPolarHBondContact O-CB 3.46Å; R1004-K1007 PolarHBondContact O-N 3.2Å; K1007-E1012 PolarHBondContact N-OE2 2.84Å
1008	N	88.8	Confident	93.6	Very high	132 Å²	132	50.1 Å²	50.1	71%	0.706	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	10.8	177.3	-52.8	-66.6	0	0	0	113	G1006 E1012	G1006-N1008 VanDerWaalsContact C-N 3.26Å; G1006-N1008 PolarHBondContact O-N 3.46Å; N1008-E1012 HydrophobicContact CB-CG 4.25Å; N1008-E1012 WeakPolarHBondContact CB-OE1 3.29Å; N1008-E1012 PolarHBondContact N-OE2 3.25Å; N1008-E1012 PolarHBondContact ND2-OE1 2.92Å
1009	G	89.6	Confident	93.6	Very high	28 Å²	28	50.2 Å²	50.2	29%	0.289	28%	0.278	S	S	.	.			trans	119.3	161.5	179.2	0	0	0	0	0	113.4	G1006 D1011 E1012	G1006-G1009 WeakPolarHBondContact CA-O 3.3Å; G1006-G1009 PolarHBondContact O-N 2.69Å; G1009-D1011 PolarHBondContact O-N 3.41Å; G1009-D1011 VanDerWaalsContact O-N 3.08Å; G1009-E1012 PolarHBondContact O-N 2.92Å; G1009-E1012 VanDerWaalsContact O-N 3.16Å
1010	A	93.8	Very high	93.5	Very high	5 Å²	5	56.9 Å²	56.9	4%	0.041	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-21.1	-175.7	0	0	0	0	0	113.9	T822 E826 W942 E1012 I1013 K1014	T822-A1010 HydrophobicContact CG2-CB 4.43Å; E826-A1010 HydrophobicContact CB-CB 3.84Å; E826-A1010 HydrophobicContact CG-CB 3.62Å; W942-A1010 HydrophobicContact CH2-CB 3.85Å; W942-A1010 HydrophobicContact CZ2-CB 3.71Å; A1010-E1012 PolarHBondContact O-N 2.84Å; A1010-I1013 WeakPolarHBondContact O-CA 3.35Å; A1010-I1013 WeakPolarHBondContact O-CB 3.43Å; A1010-I1013 PolarHBondContact O-N 3.1Å; A1010-K1014 WeakPolarHBondContact O-CG 3.44Å; A1010-K1014 PolarHBondContact O-N 3.35Å
1011	D	94.1	Very high	93.5	Very high	102 Å²	102	61.3 Å²	61.3	55%	0.545	33%	0.327	S	S	.	.	H	α-helix	trans	-64.6	-24.1	178.7	-58.3	-37.5	0	0	0	112.6	G1009 I1013 K1014 A1015	G1009-D1011 PolarHBondContact O-N 3.41Å; G1009-D1011 VanDerWaalsContact O-N 3.08Å; D1011-I1013 VanDerWaalsContact C-N 3.29Å; D1011-I1013 PolarHBondContact O-N 3.48Å; D1011-K1014 WeakPolarHBondContact OD1-CE 3.47Å; D1011-K1014 IonicContact OD1-NZ 1.9Å; D1011-K1014 PolarHBondContact OD1-NZ 2.94Å; D1011-A1015 WeakPolarHBondContact O-CB 3.19Å; D1011-A1015 PolarHBondContact O-N 2.86Å
1012	E	95.3	Very high	93.5	Very high	63 Å²	63	60.5 Å²	60.5	29%	0.294	32%	0.321	S	S	.	.	H	α-helix	trans	-63.7	-34.7	168.8	-62.7	-171.4	126.9	0	0	112.5	L1005 G1006 K1007 N1008 G1009 A1010	L1005-E1012 HydrophobicContact CD1-CB 3.85Å; L1005-E1012 HydrophobicContact CG-CB 4.27Å; G1006-E1012 WeakPolarHBondContact CA-OE2 3.34Å; G1006-E1012 PolarHBondContact N-OE2 3.14Å; K1007-E1012 PolarHBondContact N-OE2 2.84Å; N1008-E1012 HydrophobicContact CB-CG 4.25Å; N1008-E1012 WeakPolarHBondContact CB-OE1 3.29Å; N1008-E1012 PolarHBondContact N-OE2 3.25Å; N1008-E1012 PolarHBondContact ND2-OE1 2.92Å; G1009-E1012 PolarHBondContact O-N 2.92Å; G1009-E1012 VanDerWaalsContact O-N 3.16Å; A1010-E1012 PolarHBondContact O-N 2.84Å
1013	I	96.6	Very high	93.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-76.3	-47.9	179.1	-57.4	171.4	0	0	0	108.9	T822 W942 L997 L1005 A1010 D1011 A1015 H1016 F1019	T822-I1013 HydrophobicContact CG2-CB 4.08Å; T822-I1013 HydrophobicContact CG2-CG2 3.84Å; W942-I1013 HydrophobicContact CB-CD1 4.37Å; W942-I1013 HydrophobicContact CD2-CD1 3.41Å; W942-I1013 VanDerWaalsContact CD2-CD1 3.41Å; W942-I1013 HydrophobicContact CE3-CD1 3.47Å; W942-I1013 VanDerWaalsContact CE3-CD1 3.47Å; W942-I1013 HydrophobicContact CG-CD1 3.81Å; W942-I1013 HydrophobicContact CH2-CD1 4.35Å; W942-I1013 HydrophobicContact CZ2-CD1 4.29Å; W942-I1013 HydrophobicContact CZ3-CD1 3.96Å; L997-I1013 HydrophobicContact CD2-CD1 3.86Å; L997-I1013 HydrophobicContact CD2-CG1 4.08Å; L1005-I1013 HydrophobicContact CD2-CB 4.48Å; L1005-I1013 HydrophobicContact CD2-CG1 4.16Å; L1005-I1013 HydrophobicContact CG-CG1 3.95Å; A1010-I1013 WeakPolarHBondContact O-CA 3.35Å; A1010-I1013 WeakPolarHBondContact O-CB 3.43Å; A1010-I1013 PolarHBondContact O-N 3.1Å; D1011-I1013 VanDerWaalsContact C-N 3.29Å; D1011-I1013 PolarHBondContact O-N 3.48Å; I1013-A1015 VanDerWaalsContact C-N 3.27Å; I1013-A1015 PolarHBondContact O-N 3.27Å; I1013-H1016 WeakPolarHBondContact O-CB 3.48Å; I1013-H1016 PolarHBondContact O-N 2.91Å; I1013-F1019 HydrophobicContact CG2-CE2 3.92Å; I1013-F1019 HydrophobicContact CG2-CZ 4.49Å; I1013-F1019 WeakPolarHBondContact O-CD2 3.3Å; I1013-F1019 VanDerWaalsContact O-CE2 3.31Å; I1013-F1019 WeakPolarHBondContact O-CE2 3.42Å
1014	K	95.8	Very high	93.3	Very high	34 Å²	34	54.5 Å²	54.5	15%	0.148	29%	0.29	C	S	.	.	H	α-helix	trans	-59	-35.5	177.2	-61.2	174.2	-158.2	159.9	0	112.9	T822 E826 A1010 D1011 H1016 F1024	T822-K1014 HydrophobicContact CG2-CG 4.1Å; E826-K1014 IonicContact OE1-NZ 3.99Å; E826-K1014 PolarHBondContact OE1-NZ 2.72Å; E826-K1014 IonicContact OE2-NZ 3.57Å; E826-K1014 PolarHBondContact OE2-NZ 3.27Å; A1010-K1014 WeakPolarHBondContact O-CG 3.44Å; A1010-K1014 PolarHBondContact O-N 3.35Å; D1011-K1014 WeakPolarHBondContact OD1-CE 3.47Å; D1011-K1014 IonicContact OD1-NZ 1.9Å; D1011-K1014 PolarHBondContact OD1-NZ 2.94Å; K1014-H1016 PolarHBondContact O-N 3.23Å; K1014-F1024 HydrophobicContact CB-CD1 4.46Å; K1014-F1024 HydrophobicContact CB-CD2 3.74Å; K1014-F1024 HydrophobicContact CB-CE1 4.41Å; K1014-F1024 HydrophobicContact CB-CE2 3.68Å; K1014-F1024 HydrophobicContact CB-CG 4.14Å; K1014-F1024 HydrophobicContact CB-CZ 4.03Å; K1014-F1024 HydrophobicContact CD-CB 4.38Å; K1014-F1024 HydrophobicContact CD-CD1 4.12Å; K1014-F1024 HydrophobicContact CD-CG 4.14Å; K1014-F1024 HydrophobicContact CG-CD1 3.98Å; K1014-F1024 HydrophobicContact CG-CD2 4.17Å; K1014-F1024 HydrophobicContact CG-CE1 3.91Å; K1014-F1024 HydrophobicContact CG-CE2 4.11Å; K1014-F1024 HydrophobicContact CG-CG 4.1Å; K1014-F1024 HydrophobicContact CG-CZ 3.98Å; K1014-F1024 WeakPolarHBondContact O-CE2 3.46Å
1015	A	95.6	Very high	92.6	Very high	83 Å²	83	59.6 Å²	59.6	69%	0.686	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	0.5	177.9	0	0	0	0	0	114.3	D1011 I1013	D1011-A1015 WeakPolarHBondContact O-CB 3.19Å; D1011-A1015 PolarHBondContact O-N 2.86Å; I1013-A1015 VanDerWaalsContact C-N 3.27Å; I1013-A1015 PolarHBondContact O-N 3.27Å
1016	H	97.5	Very high	91.5	Very high	9 Å²	9	60.6 Å²	60.6	4%	0.042	34%	0.336	C	S	.	.	S	Bend	trans	-70	138.9	-179.1	-167.3	-85.1	0	0	0	111.6	E989 D992 L993 K996 L1005 I1013 K1014 F1018 F1019	E989-H1016 PolarHBondContact O-CE1 3.48Å; D992-H1016 IonicContact OD1-NE2 3.15Å; D992-H1016 PolarHBondContact OD1-NE2 3.04Å; D992-H1016 IonicContact OD2-CD2 2.77Å; D992-H1016 IonicContact OD2-CE1 3.22Å; D992-H1016 PolarHBondContact OD2-CE1 2.88Å; D992-H1016 IonicContact OD2-NE2 2.77Å; D992-H1016 PolarHBondContact OD2-NE2 2.94Å; L993-H1016 HydrophobicContact CD1-CB 4.19Å; L993-H1016 PolarHBondContact N-CE1 2.71Å; L993-H1016 VanDerWaalsContact N-CE1 3.25Å; K996-H1016 WeakPolarHBondContact CD-NE2 3.36Å; K996-H1016 WeakPolarHBondContact CE-NE2 3.29Å; K996-H1016 PolarHBondContact NZ-NE2 3.34Å; L1005-H1016 HydrophobicContact CD2-CB 4.4Å; I1013-H1016 WeakPolarHBondContact O-CB 3.48Å; I1013-H1016 PolarHBondContact O-N 2.91Å; K1014-H1016 PolarHBondContact O-N 3.23Å; H1016-F1018 WeakPolarHBondContact ND1-CB 3.29Å; H1016-F1018 PolarHBondContact ND1-N 2.99Å; H1016-F1018 VanDerWaalsContact ND1-N 3.16Å; H1016-F1018 PolarHBondContact O-N 3.27Å; H1016-F1019 HydrophobicContact CB-CD2 4.18Å; H1016-F1019 PolarHBondContact O-N 3.22Å
1017	P	96.9	Very high	90.9	Very high	77 Å²	77	63.2 Å²	63.2	50%	0.5	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-53.1	-26.2	-179.3	-30.5	36.8	0	0	0	115.6	E989 F1019 R1020	E989-P1017 HydrophobicContact CG-CB 4.07Å; P1017-F1019 PolarHBondContact O-N 3.08Å; P1017-R1020 WeakPolarHBondContact O-CB 3.34Å; P1017-R1020 PolarHBondContact O-N 2.84Å; P1017-R1020 VanDerWaalsContact O-N 3.1Å
1018	F	97.3	Very high	90.6	Very high	5 Å²	5	59.4 Å²	59.4	2%	0.022	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-57.8	-28.1	173.5	179.3	-109.3	0	0	0	113.4	E811 Q815 L949 E989 A990 L993 H1016	E811-F1018 HydrophobicContact CG-CE2 3.89Å; E811-F1018 HydrophobicContact CG-CZ 4.44Å; Q815-F1018 HydrophobicContact CB-CE1 3.92Å; Q815-F1018 HydrophobicContact CB-CE2 4.37Å; Q815-F1018 HydrophobicContact CB-CZ 3.7Å; Q815-F1018 HydrophobicContact CG-CD1 4.44Å; Q815-F1018 HydrophobicContact CG-CE1 4.06Å; Q815-F1018 HydrophobicContact CG-CZ 4.21Å; Q815-F1018 PolarHBondContact NE2-O 3.39Å; L949-F1018 HydrophobicContact CD1-CE1 4.07Å; L949-F1018 HydrophobicContact CD1-CZ 3.93Å; L949-F1018 HydrophobicContact CD2-CE1 4.42Å; E989-F1018 HydrophobicContact CB-CB 4.22Å; E989-F1018 HydrophobicContact CB-CD2 4.46Å; A990-F1018 HydrophobicContact CB-CD2 3.81Å; A990-F1018 HydrophobicContact CB-CE2 3.61Å; L993-F1018 HydrophobicContact CB-CB 4.28Å; L993-F1018 HydrophobicContact CD2-CB 3.99Å; L993-F1018 HydrophobicContact CD2-CD1 3.29Å; L993-F1018 HydrophobicContact CD2-CE1 3.96Å; L993-F1018 HydrophobicContact CD2-CG 3.87Å; H1016-F1018 WeakPolarHBondContact ND1-CB 3.29Å; H1016-F1018 PolarHBondContact ND1-N 2.99Å; H1016-F1018 VanDerWaalsContact ND1-N 3.16Å; H1016-F1018 PolarHBondContact O-N 3.27Å
1019	F	96.2	Very high	90.5	Very high	3 Å²	3	54.7 Å²	54.7	1%	0.013	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-98.3	15.5	177.8	-56.4	-70.4	0	0	0	113.9	Q815 T818 A819 L993 I1013 H1016 P1017 T1021 I1022 F1024	Q815-F1019 HydrophobicContact CG-CD1 4.17Å; T818-F1019 HydrophobicContact CG2-CE1 4.25Å; T818-F1019 HydrophobicContact CG2-CZ 3.83Å; A819-F1019 HydrophobicContact CB-CD1 3.92Å; A819-F1019 HydrophobicContact CB-CE1 3.91Å; L993-F1019 HydrophobicContact CD2-CD2 4.5Å; L993-F1019 HydrophobicContact CD2-CE2 3.57Å; L993-F1019 HydrophobicContact CD2-CZ 3.63Å; I1013-F1019 HydrophobicContact CG2-CE2 3.92Å; I1013-F1019 HydrophobicContact CG2-CZ 4.49Å; I1013-F1019 WeakPolarHBondContact O-CD2 3.3Å; I1013-F1019 VanDerWaalsContact O-CE2 3.31Å; I1013-F1019 WeakPolarHBondContact O-CE2 3.42Å; H1016-F1019 HydrophobicContact CB-CD2 4.18Å; H1016-F1019 PolarHBondContact O-N 3.22Å; P1017-F1019 PolarHBondContact O-N 3.08Å; F1019-T1021 PolarHBondContact O-N 2.71Å; F1019-I1022 HydrophobicContact CB-CB 4.35Å; F1019-I1022 HydrophobicContact CB-CG1 4.47Å; F1019-I1022 HydrophobicContact CD1-CG1 4.34Å; F1019-I1022 PolarHBondContact O-N 3.3Å; F1019-F1024 HydrophobicContact CB-CE2 3.64Å; F1019-F1024 HydrophobicContact CB-CZ 4.01Å; F1019-F1024 HydrophobicContact CD1-CZ 4.06Å; F1019-F1024 HydrophobicContact CD2-CE2 4.5Å; F1019-F1024 HydrophobicContact CD2-CZ 4.34Å; F1019-F1024 HydrophobicContact CG-CE2 4.02Å; F1019-F1024 AromaticContact CG-CZ 3.89Å; F1019-F1024 HydrophobicContact CG-CZ 3.89Å
1020	R	92.4	Very high	90.3	Very high	229 Å²	229	63.1 Å²	63.1	86%	0.864	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-23.4	-177	-179.8	175.9	178.6	-171.5	-0.3	114.8	P1017	P1017-R1020 WeakPolarHBondContact O-CB 3.34Å; P1017-R1020 PolarHBondContact O-N 2.84Å; P1017-R1020 VanDerWaalsContact O-N 3.1Å
1021	T	90.4	Very high	89.8	Confident	109 Å²	109	66 Å²	66	67%	0.669	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-6.5	176.5	38.9	0	0	0	0	114.3	Q815 F1019	Q815-T1021 PolarHBondContact NE2-OG1 3.49Å; Q815-T1021 PolarHBondContact OE1-OG1 3.21Å; F1019-T1021 PolarHBondContact O-N 2.71Å
1022	I	90.8	Very high	89.3	Confident	20 Å²	20	66.1 Å²	66.1	10%	0.103	35%	0.35	C	S	.	.			trans	-100.5	126.9	179	-54.7	-59.6	0	0	0	109.5	Q815 A819 F1019 F1024 L1028	Q815-I1022 HydrophobicContact CG-CD1 4.25Å; Q815-I1022 HydrophobicContact CG-CG1 3.96Å; A819-I1022 HydrophobicContact CB-CG1 4.24Å; A819-I1022 HydrophobicContact CB-CG2 3.95Å; F1019-I1022 HydrophobicContact CB-CB 4.35Å; F1019-I1022 HydrophobicContact CB-CG1 4.47Å; F1019-I1022 HydrophobicContact CD1-CG1 4.34Å; F1019-I1022 PolarHBondContact O-N 3.3Å; I1022-F1024 HydrophobicContact CB-CE2 4.31Å; I1022-F1024 HydrophobicContact CG2-CD1 4.41Å; I1022-F1024 HydrophobicContact CG2-CD2 4.32Å; I1022-F1024 HydrophobicContact CG2-CE1 4.22Å; I1022-F1024 HydrophobicContact CG2-CE2 4.13Å; I1022-F1024 HydrophobicContact CG2-CG 4.47Å; I1022-F1024 HydrophobicContact CG2-CZ 4.07Å; I1022-L1028 HydrophobicContact CG2-CD1 4.03Å; I1022-L1028 HydrophobicContact CG2-CD2 4.39Å
1023	D	88.2	Confident	88.9	Confident	67 Å²	67	63.5 Å²	63.5	36%	0.358	34%	0.339	S	S	.	.			trans	-91.6	113.8	167.6	173.4	34.6	0	0	0	110.4	S1025 S1026	D1023-S1025 WeakPolarHBondContact OD1-CA 3.34Å; D1023-S1025 VanDerWaalsContact OD1-CB 3.3Å; D1023-S1025 WeakPolarHBondContact OD1-CB 3.39Å; D1023-S1025 PolarHBondContact OD1-N 3.44Å; D1023-S1025 PolarHBondContact OD1-OG 3.44Å; D1023-S1025 PolarHBondContact OD2-OG 3.01Å; D1023-S1026 WeakPolarHBondContact OD2-CB 3.5Å; D1023-S1026 PolarHBondContact OD2-N 3.36Å; D1023-S1026 PolarHBondContact OD2-OG 3.37Å
1024	F	88.7	Confident	88.5	Confident	55 Å²	55	69 Å²	69	24%	0.241	36%	0.364	C	S	.	.	S	Bend	trans	-88.3	-0.6	173.6	-64.8	-81.9	0	0	0	113.6	A819 K1014 F1019 I1022	A819-F1024 HydrophobicContact CB-CE1 3.72Å; A819-F1024 HydrophobicContact CB-CZ 3.77Å; K1014-F1024 HydrophobicContact CB-CD1 4.46Å; K1014-F1024 HydrophobicContact CB-CD2 3.74Å; K1014-F1024 HydrophobicContact CB-CE1 4.41Å; K1014-F1024 HydrophobicContact CB-CE2 3.68Å; K1014-F1024 HydrophobicContact CB-CG 4.14Å; K1014-F1024 HydrophobicContact CB-CZ 4.03Å; K1014-F1024 HydrophobicContact CD-CB 4.38Å; K1014-F1024 HydrophobicContact CD-CD1 4.12Å; K1014-F1024 HydrophobicContact CD-CG 4.14Å; K1014-F1024 HydrophobicContact CG-CD1 3.98Å; K1014-F1024 HydrophobicContact CG-CD2 4.17Å; K1014-F1024 HydrophobicContact CG-CE1 3.91Å; K1014-F1024 HydrophobicContact CG-CE2 4.11Å; K1014-F1024 HydrophobicContact CG-CG 4.1Å; K1014-F1024 HydrophobicContact CG-CZ 3.98Å; K1014-F1024 WeakPolarHBondContact O-CE2 3.46Å; F1019-F1024 HydrophobicContact CB-CE2 3.64Å; F1019-F1024 HydrophobicContact CB-CZ 4.01Å; F1019-F1024 HydrophobicContact CD1-CZ 4.06Å; F1019-F1024 HydrophobicContact CD2-CE2 4.5Å; F1019-F1024 HydrophobicContact CD2-CZ 4.34Å; F1019-F1024 HydrophobicContact CG-CE2 4.02Å; F1019-F1024 AromaticContact CG-CZ 3.89Å; F1019-F1024 HydrophobicContact CG-CZ 3.89Å; I1022-F1024 HydrophobicContact CB-CE2 4.31Å; I1022-F1024 HydrophobicContact CG2-CD1 4.41Å; I1022-F1024 HydrophobicContact CG2-CD2 4.32Å; I1022-F1024 HydrophobicContact CG2-CE1 4.22Å; I1022-F1024 HydrophobicContact CG2-CE2 4.13Å; I1022-F1024 HydrophobicContact CG2-CG 4.47Å; I1022-F1024 HydrophobicContact CG2-CZ 4.07Å
1025	S	80.8	Confident	88.3	Confident	113 Å²	113	69.7 Å²	69.7	79%	0.79	37%	0.365	S	S	*	.	S	Bend	trans	-91	-30.5	178	75.3	0	0	0	0	113	D1023	D1023-S1025 WeakPolarHBondContact OD1-CA 3.34Å; D1023-S1025 VanDerWaalsContact OD1-CB 3.3Å; D1023-S1025 WeakPolarHBondContact OD1-CB 3.39Å; D1023-S1025 PolarHBondContact OD1-N 3.44Å; D1023-S1025 PolarHBondContact OD1-OG 3.44Å; D1023-S1025 PolarHBondContact OD2-OG 3.01Å
1026	S	70.8	Confident	88.2	Confident	51 Å²	51	70.5 Å²	70.5	36%	0.357	36%	0.357	S	S	.	.	S	Bend	trans	-78	161.4	161.7	60.8	0	0	0	0	112.2	D1023 L1028 Q1031	D1023-S1026 WeakPolarHBondContact OD2-CB 3.5Å; D1023-S1026 PolarHBondContact OD2-N 3.36Å; D1023-S1026 PolarHBondContact OD2-OG 3.37Å; S1026-L1028 PolarHBondContact O-N 2.91Å; S1026-Q1031 PolarHBondContact OG-NE2 2.98Å; S1026-Q1031 VanDerWaalsContact OG-NE2 3.17Å
1027	D	77.9	Confident	88	Confident	57 Å²	57	70.3 Å²	70.3	31%	0.305	36%	0.357	S	S	.	.			trans	-72.9	96.1	176.2	-174	-6.7	0	0	0	109.5	R1029 R1030	D1027-R1029 PolarHBondContact O-N 3.37Å; D1027-R1029 PolarHBondContact OD1-N 3.38Å; D1027-R1030 HydrophobicContact CB-CG 3.95Å; D1027-R1030 WeakPolarHBondContact O-CB 3.44Å; D1027-R1030 PolarHBondContact O-N 2.88Å; D1027-R1030 IonicContact OD2-CZ 3.83Å; D1027-R1030 VanDerWaalsContact OD2-CZ 3.27Å; D1027-R1030 IonicContact OD2-NE 3.73Å; D1027-R1030 PolarHBondContact OD2-NE 3.33Å; D1027-R1030 IonicContact OD2-NH2 2.69Å; D1027-R1030 PolarHBondContact OD2-NH2 2.98Å
1028	L	85.5	Confident	87.8	Confident	6 Å²	6	75.2 Å²	75.2	3%	0.031	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-53.9	-28.3	-175.2	-173.7	59	0	0	0	112.7	F816 A819 E820 I1022 S1026 R1030 Q1031	F816-L1028 HydrophobicContact CD2-CD1 4.44Å; F816-L1028 HydrophobicContact CE2-CD1 4.07Å; F816-L1028 HydrophobicContact CE2-CG 4.39Å; A819-L1028 HydrophobicContact CB-CD2 4.03Å; E820-L1028 HydrophobicContact CG-CD2 3.87Å; E820-L1028 HydrophobicContact CG-CG 4.29Å; I1022-L1028 HydrophobicContact CG2-CD1 4.03Å; I1022-L1028 HydrophobicContact CG2-CD2 4.39Å; S1026-L1028 PolarHBondContact O-N 2.91Å; L1028-R1030 PolarHBondContact O-N 3.23Å; L1028-Q1031 PolarHBondContact O-N 3.33Å
1029	R	87.3	Confident	87.7	Confident	33 Å²	33	77.5 Å²	77.5	13%	0.125	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-76.2	-1	177	-61	-173.2	63.5	86.1	7.6	114.7	W773 D846 I851 D1027	W773-R1029 HydrophobicContact CH2-CG 3.41Å; W773-R1029 VanDerWaalsContact CH2-CG 3.41Å; W773-R1029 HydrophobicContact CZ2-CG 3.87Å; W773-R1029 HydrophobicContact CZ3-CG 3.78Å; D846-R1029 IonicContact OD2-CZ 2.72Å; D846-R1029 IonicContact OD2-NH2 3.77Å; D846-R1029 PolarHBondContact OD2-NH2 3.35Å; I851-R1029 PolarHBondContact O-NH1 2.94Å; D1027-R1029 PolarHBondContact O-N 3.37Å; D1027-R1029 PolarHBondContact OD1-N 3.38Å
1030	R	83.9	Confident	87.5	Confident	204 Å²	204	81.7 Å²	81.7	77%	0.77	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-98.9	-13.1	170.2	-60.4	-177.4	-165.9	-92.6	-26.1	113.3	D1027 L1028	D1027-R1030 HydrophobicContact CB-CG 3.95Å; D1027-R1030 WeakPolarHBondContact O-CB 3.44Å; D1027-R1030 PolarHBondContact O-N 2.88Å; D1027-R1030 IonicContact OD2-CZ 3.83Å; D1027-R1030 VanDerWaalsContact OD2-CZ 3.27Å; D1027-R1030 IonicContact OD2-NE 3.73Å; D1027-R1030 PolarHBondContact OD2-NE 3.33Å; D1027-R1030 IonicContact OD2-NH2 2.69Å; D1027-R1030 PolarHBondContact OD2-NH2 2.98Å; L1028-R1030 PolarHBondContact O-N 3.23Å
1031	Q	83.6	Confident	87.4	Confident	67 Å²	67	75.7 Å²	75.7	31%	0.313	40%	0.399	S	S	.	.	S	Bend	trans	-78.5	138.7	173.5	-54	-178.4	19.7	0	0	107.7	H850 S1026 L1028 A1033	H850-Q1031 PolarHBondContact CE1-O 2.93Å; H850-Q1031 PolarHBondContact NE2-O 3.31Å; S1026-Q1031 PolarHBondContact OG-NE2 2.98Å; S1026-Q1031 VanDerWaalsContact OG-NE2 3.17Å; L1028-Q1031 PolarHBondContact O-N 3.33Å; Q1031-A1033 PolarHBondContact O-N 3.4Å
1032	S	83.3	Confident	87.4	Confident	104 Å²	104	74.4 Å²	74.4	73%	0.727	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-64.3	121.4	179.1	54.2	0	0	0	0	110.9
1033	A	88.3	Confident	87.5	Confident	8 Å²	8	75.3 Å²	75.3	7%	0.066	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-58	143.9	177.5	0	0	0	0	0	112.6	F816 G849 Q1031 Y1035	F816-A1033 HydrophobicContact CE1-CB 3.8Å; F816-A1033 HydrophobicContact CZ-CB 3.94Å; G849-A1033 WeakPolarHBondContact O-CB 3.4Å; Q1031-A1033 PolarHBondContact O-N 3.4Å; A1033-Y1035 PolarHBondContact O-N 2.86Å
1034	F	88.4	Confident	87.7	Confident	116 Å²	116	73 Å²	73	51%	0.509	39%	0.386	S	S	.	.	S	Bend	trans	-68.3	-19.3	-178.8	-77.3	-89.7	0	0	0	114.1	N812 L813 F816	N812-F1034 VanDerWaalsContact ND2-CD1 3.25Å; N812-F1034 WeakPolarHBondContact ND2-CD1 3.42Å; N812-F1034 WeakPolarHBondContact ND2-CE1 3.34Å; L813-F1034 HydrophobicContact CD1-CB 3.65Å; F816-F1034 HydrophobicContact CB-CD2 3.63Å; F816-F1034 HydrophobicContact CB-CE2 4.04Å; F816-F1034 HydrophobicContact CD1-CD2 4.35Å; F816-F1034 AromaticContact CD2-CD2 3.82Å; F816-F1034 HydrophobicContact CD2-CD2 3.82Å; F816-F1034 HydrophobicContact CD2-CE2 4.01Å; F816-F1034 AromaticContact CG-CD2 3.67Å; F816-F1034 HydrophobicContact CG-CD2 3.67Å; F816-F1034 HydrophobicContact CG-CE2 4.22Å
1035	Y	91.7	Very high	87.9	Confident	47 Å²	47	70.9 Å²	70.9	18%	0.184	38%	0.378	C	S	.	.			trans	-131.6	124.4	170.8	169.9	-94.5	0	0	0	108.9	L802 R805 G849 A1033 P1037	L802-Y1035 HydrophobicContact CD1-CD1 4.23Å; L802-Y1035 HydrophobicContact CD1-CD2 4.37Å; L802-Y1035 HydrophobicContact CD1-CE1 3.67Å; L802-Y1035 HydrophobicContact CD1-CE2 3.82Å; L802-Y1035 VanDerWaalsContact CD1-CZ 3.43Å; L802-Y1035 HydrophobicContact CD2-CD1 3.64Å; L802-Y1035 HydrophobicContact CD2-CE1 3.71Å; L802-Y1035 HydrophobicContact CD2-CG 4.21Å; L802-Y1035 HydrophobicContact CG-CE1 4.33Å; R805-Y1035 PolarHBondContact NH1-OH 3.05Å; G849-Y1035 WeakPolarHBondContact CA-O 3.4Å; A1033-Y1035 PolarHBondContact O-N 2.86Å; Y1035-P1037 HydrophobicContact CE1-CB 4.02Å
1036	I	93.3	Very high	88.4	Confident	100 Å²	100	69.1 Å²	69.1	51%	0.513	37%	0.366	S	S	.	.			trans	-109.3	122.9	173.2	-59.8	176.1	0	0	0	107.2
1037	P	93	Very high	89.3	Confident	6 Å²	6	67 Å²	67	4%	0.039	35%	0.351	C	S	.	.			trans	-66.5	138.1	-179.3	26.6	-33.9	0	0	0	111.3	I845 D846 Y1035 I1039	I845-P1037 HydrophobicContact CG2-CG 4.33Å; D846-P1037 VanDerWaalsContact O-CG 3.25Å; D846-P1037 WeakPolarHBondContact O-CG 3.33Å; Y1035-P1037 HydrophobicContact CE1-CB 4.02Å; P1037-I1039 HydrophobicContact CB-CD1 4.41Å; P1037-I1039 HydrophobicContact CG-CD1 3.95Å; P1037-I1039 PolarHBondContact O-N 3.28Å
1038	K	92.9	Very high	89.8	Confident	180 Å²	180	66.2 Å²	66.2	78%	0.783	34%	0.344	S	S	*	.			trans	-70.9	123.2	172.6	-65.3	-178	-179.2	179.6	0	108.9	N1047	K1038-N1047 PolarHBondContact O-ND2 3.45Å
1039	I	94.1	Very high	89.7	Confident	53 Å²	53	71.8 Å²	71.8	27%	0.272	37%	0.374	S	S	.	.			trans	-137.3	114.6	-177.5	-65.7	159.6	0	0	0	106.8	P795 R847 P1037 D1044	P795-I1039 HydrophobicContact CB-CD1 3.93Å; P795-I1039 HydrophobicContact CB-CG1 4.19Å; P795-I1039 HydrophobicContact CB-CG2 4.4Å; P795-I1039 HydrophobicContact CG-CD1 3.64Å; P795-I1039 HydrophobicContact CG-CG1 4.42Å; R847-I1039 HydrophobicContact CB-CD1 3.63Å; P1037-I1039 HydrophobicContact CB-CD1 4.41Å; P1037-I1039 HydrophobicContact CG-CD1 3.95Å; P1037-I1039 PolarHBondContact O-N 3.28Å; I1039-D1044 WeakPolarHBondContact CA-OD2 3.19Å; I1039-D1044 HydrophobicContact CG2-CB 4.14Å
1040	A	91.9	Very high	89.4	Confident	90 Å²	90	75.9 Å²	75.9	74%	0.744	41%	0.405	S	S	*	.	S	Bend	trans	-80.5	-33.3	-175.3	0	0	0	0	0	113.5	D1044	A1040-D1044 PolarHBondContact N-OD2 3.42Å
1041	H	91.3	Very high	89.2	Confident	103 Å²	103	68 Å²	68	48%	0.477	38%	0.38	S	S	.	.	S	Bend	trans	-157.9	163	-179.7	56.4	27.4	0	0	0	111.1	T1043 D1044	H1041-T1043 PolarHBondContact O-N 2.95Å; H1041-D1044 PolarHBondContact CE1-N 3.21Å; H1041-D1044 WeakPolarHBondContact ND1-CA 3.48Å; H1041-D1044 WeakPolarHBondContact ND1-CB 3.25Å; H1041-D1044 PolarHBondContact ND1-N 2.8Å; H1041-D1044 WeakPolarHBondContact O-CB 3.5Å; H1041-D1044 PolarHBondContact O-N 2.68Å
1042	P	89.5	Confident	88.7	Confident	83 Å²	83	67.6 Å²	67.6	54%	0.539	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-20	-174.3	-28.4	36.8	0	0	0	116.2	L739	L739-P1042 HydrophobicContact CD1-CB 3.89Å; L739-P1042 WeakPolarHBondContact CD1-O 3.15Å
1043	T	92.8	Very high	87.9	Confident	38 Å²	38	66.6 Å²	66.6	23%	0.233	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	20.3	174.8	48.9	0	0	0	0	113.3	I717 L730 L739 H1041 T1045	I717-T1043 HydrophobicContact CD1-CG2 3.93Å; L730-T1043 HydrophobicContact CD2-CG2 4.24Å; L739-T1043 HydrophobicContact CD1-CG2 3.62Å; L739-T1043 HydrophobicContact CD2-CG2 3.88Å; L739-T1043 HydrophobicContact CG-CG2 4.42Å; H1041-T1043 PolarHBondContact O-N 2.95Å; T1043-T1045 PolarHBondContact O-N 3.31Å
1044	D	92.6	Very high	86.4	Confident	18 Å²	18	72.5 Å²	72.5	10%	0.096	40%	0.401	C	S	.	.			trans	-78	114.9	-176	-172.2	5.6	0	0	0	111.8	Y793 I1039 A1040 H1041 S1046	Y793-D1044 PolarHBondContact OH-O 3.49Å; I1039-D1044 WeakPolarHBondContact CA-OD2 3.19Å; I1039-D1044 HydrophobicContact CG2-CB 4.14Å; A1040-D1044 PolarHBondContact N-OD2 3.42Å; H1041-D1044 PolarHBondContact CE1-N 3.21Å; H1041-D1044 WeakPolarHBondContact ND1-CA 3.48Å; H1041-D1044 WeakPolarHBondContact ND1-CB 3.25Å; H1041-D1044 PolarHBondContact ND1-N 2.8Å; H1041-D1044 WeakPolarHBondContact O-CB 3.5Å; H1041-D1044 PolarHBondContact O-N 2.68Å; D1044-S1046 WeakPolarHBondContact OD1-CB 3.36Å; D1044-S1046 PolarHBondContact OD1-N 3.25Å; D1044-S1046 PolarHBondContact OD1-OG 3.42Å; D1044-S1046 PolarHBondContact OD2-OG 3.04Å
1045	T	92.7	Very high	85	Confident	12 Å²	12	74 Å²	74	7%	0.074	41%	0.408	C	S	.	.			trans	-103.6	19	176	90.5	0	0	0	0	112.5	K718 L720 L730 T1043 N1047 F1048	K718-T1045 HydrophobicContact CD-CG2 3.93Å; K718-T1045 WeakPolarHBondContact CE-OG1 3.2Å; K718-T1045 PolarHBondContact NZ-OG1 3.36Å; L720-T1045 HydrophobicContact CD2-CG2 3.65Å; L730-T1045 HydrophobicContact CD2-CG2 4.09Å; T1043-T1045 PolarHBondContact O-N 3.31Å; T1045-N1047 PolarHBondContact O-N 3.37Å; T1045-F1048 WeakPolarHBondContact O-CB 3.31Å; T1045-F1048 PolarHBondContact O-N 3.04Å
1046	S	90.7	Very high	83.2	Confident	76 Å²	76	73.4 Å²	73.4	53%	0.531	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.3	-177.8	61.3	0	0	0	0	114.2	D1044 F1048	D1044-S1046 WeakPolarHBondContact OD1-CB 3.36Å; D1044-S1046 PolarHBondContact OD1-N 3.25Å; D1044-S1046 PolarHBondContact OD1-OG 3.42Å; D1044-S1046 PolarHBondContact OD2-OG 3.04Å; S1046-F1048 VanDerWaalsContact C-N 3.35Å
1047	N	91.4	Very high	81.2	Confident	6 Å²	6	76.6 Å²	76.6	3%	0.032	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	9.9	171.6	-60.2	-65.5	0	0	0	114.3	P795 G796 G797 R805 K1038 T1045	P795-N1047 PolarHBondContact O-ND2 2.94Å; G796-N1047 VanDerWaalsContact C-CB 3.47Å; G796-N1047 VanDerWaalsContact O-CB 3.3Å; G796-N1047 WeakPolarHBondContact O-CB 3.47Å; G797-N1047 WeakPolarHBondContact CA-O 3.29Å; R805-N1047 PolarHBondContact NH1-OD1 3.02Å; R805-N1047 PolarHBondContact NH2-OD1 2.82Å; R805-N1047 VanDerWaalsContact NH2-OD1 3.17Å; K1038-N1047 PolarHBondContact O-ND2 3.45Å; T1045-N1047 PolarHBondContact O-N 3.37Å
1048	F	88.1	Confident	78.8	Confident	40 Å²	40	80.9 Å²	80.9	18%	0.175	44%	0.443	C	S	.	.	S	Bend	trans	-115.7	145.5	174.8	-64.2	-101.2	0	0	0	110.2	L720 Y793 I794 T1045 S1046	L720-F1048 HydrophobicContact CB-CD1 3.91Å; L720-F1048 HydrophobicContact CB-CE1 4.06Å; L720-F1048 HydrophobicContact CD1-CE1 4.22Å; L720-F1048 HydrophobicContact CD1-CZ 4.32Å; L720-F1048 HydrophobicContact CD2-CD1 4.02Å; L720-F1048 HydrophobicContact CD2-CD2 4Å; L720-F1048 HydrophobicContact CD2-CE1 4.12Å; L720-F1048 HydrophobicContact CD2-CE2 4.1Å; L720-F1048 HydrophobicContact CD2-CG 3.95Å; L720-F1048 HydrophobicContact CD2-CZ 4.15Å; L720-F1048 HydrophobicContact CG-CD1 4.44Å; L720-F1048 HydrophobicContact CG-CE1 4.36Å; Y793-F1048 AromaticContact CE2-CE2 3.86Å; Y793-F1048 HydrophobicContact CE2-CE2 3.86Å; Y793-F1048 AromaticContact CE2-CZ 3.8Å; Y793-F1048 HydrophobicContact CE2-CZ 3.8Å; I794-F1048 VanDerWaalsContact O-CZ 3.28Å; I794-F1048 WeakPolarHBondContact O-CZ 3.39Å; T1045-F1048 WeakPolarHBondContact O-CB 3.31Å; T1045-F1048 PolarHBondContact O-N 3.04Å; S1046-F1048 VanDerWaalsContact C-N 3.35Å
1049	D	83.8	Confident	76.3	Confident	123 Å²	123	78.3 Å²	78.3	66%	0.658	44%	0.438	S	S	*	.			trans	-60	144.7	176.5	-87.4	-21	0	0	0	112.6	V1051	D1049-V1051 PolarHBondContact O-N 3.27Å
1050	P	80.6	Confident	73.9	Confident	119 Å²	119	81.7 Å²	81.7	77%	0.773	46%	0.457	S	S	*	.			trans	-64	101.6	174.4	-22.1	34.2	0	0	0	112.1	D1052	P1050-D1052 PolarHBondContact O-N 2.89Å
1051	V	79.8	Confident	71.7	Confident	40 Å²	40	81.5 Å²	81.5	24%	0.242	44%	0.443	C	S	.	.			trans	-69	113.5	171	179.2	0	0	0	0	109.9	T719 V722 D1049 L1056	T719-V1051 HydrophobicContact CG2-CB 4.41Å; T719-V1051 HydrophobicContact CG2-CG1 3.93Å; T719-V1051 HydrophobicContact CG2-CG2 4.26Å; V722-V1051 HydrophobicContact CG2-CG1 3.55Å; V722-V1051 HydrophobicContact CG2-CG2 4.44Å; D1049-V1051 PolarHBondContact O-N 3.27Å; V1051-L1056 HydrophobicContact CG1-CD2 3.99Å; V1051-L1056 HydrophobicContact CG1-CG 4.37Å
1052	D	72.8	Confident	69.6	Low	57 Å²	57	84.6 Å²	84.6	31%	0.305	46%	0.455	S	S	.	.			trans	-63.8	117.1	170.5	-178.7	-14.9	0	0	0	110.1	P1050 D1054 K1055	P1050-D1052 PolarHBondContact O-N 2.89Å; D1052-D1054 VanDerWaalsContact C-N 3.27Å; D1052-D1054 PolarHBondContact O-N 3.36Å; D1052-D1054 PolarHBondContact OD1-N 3.15Å; D1052-K1055 HydrophobicContact CB-CB 4.25Å; D1052-K1055 HydrophobicContact CB-CD 4.19Å; D1052-K1055 HydrophobicContact CB-CG 4.11Å; D1052-K1055 PolarHBondContact O-N 3.48Å; D1052-K1055 IonicContact OD2-NZ 2.76Å; D1052-K1055 PolarHBondContact OD2-NZ 2.9Å
1053	P	65.4	Low	67.9	Low	84 Å²	84	87.4 Å²	87.4	55%	0.545	46%	0.461	S	S	.	.	S	Bend	trans	-66.6	-28.6	-176.5	28.7	-35.2	0	0	0	112.8	K1055 L1056	P1053-K1055 VanDerWaalsContact C-N 3.3Å; P1053-K1055 PolarHBondContact O-N 3.4Å; P1053-L1056 VanDerWaalsContact O-CB 3.31Å; P1053-L1056 WeakPolarHBondContact O-CB 3.47Å; P1053-L1056 PolarHBondContact O-N 3.39Å
1054	D	58.2	Low	65.6	Low	131 Å²	131	89 Å²	89	70%	0.701	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-76.9	-23.1	-176.3	-60.1	-19.1	0	0	0	110.8	D1052 L1056	D1052-D1054 VanDerWaalsContact C-N 3.27Å; D1052-D1054 PolarHBondContact O-N 3.36Å; D1052-D1054 PolarHBondContact OD1-N 3.15Å; D1054-L1056 VanDerWaalsContact C-N 3.31Å; D1054-L1056 PolarHBondContact O-N 3.35Å
1055	K	57.7	Low	63.4	Low	148 Å²	148	94.3 Å²	94.3	64%	0.643	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-75.9	-12.9	170.8	-70	-171.4	-178	77.3	0	114.1	D1052 P1053 W1057	D1052-K1055 HydrophobicContact CB-CB 4.25Å; D1052-K1055 HydrophobicContact CB-CD 4.19Å; D1052-K1055 HydrophobicContact CB-CG 4.11Å; D1052-K1055 PolarHBondContact O-N 3.48Å; D1052-K1055 IonicContact OD2-NZ 2.76Å; D1052-K1055 PolarHBondContact OD2-NZ 2.9Å; P1053-K1055 VanDerWaalsContact C-N 3.3Å; P1053-K1055 PolarHBondContact O-N 3.4Å; K1055-W1057 VanDerWaalsContact C-N 3.25Å; K1055-W1057 PolarHBondContact O-N 2.93Å
1056	L	54.8	Low	61.3	Low	34 Å²	34	98.9 Å²	98.9	18%	0.178	54%	0.537	C	S	.	.	G	3₁₀ helix	trans	-69.4	-27.4	174.8	-63.2	171.6	0	0	0	112.1	T719 V722 V1051 P1053 D1054	T719-L1056 HydrophobicContact CG2-CD2 4.17Å; V722-L1056 HydrophobicContact CB-CD2 4.48Å; V722-L1056 HydrophobicContact CG1-CD2 4.23Å; V722-L1056 HydrophobicContact CG2-CD2 3.42Å; V722-L1056 VanDerWaalsContact CG2-CD2 3.42Å; V1051-L1056 HydrophobicContact CG1-CD2 3.99Å; V1051-L1056 HydrophobicContact CG1-CG 4.37Å; P1053-L1056 VanDerWaalsContact O-CB 3.31Å; P1053-L1056 WeakPolarHBondContact O-CB 3.47Å; P1053-L1056 PolarHBondContact O-N 3.39Å; D1054-L1056 VanDerWaalsContact C-N 3.31Å; D1054-L1056 PolarHBondContact O-N 3.35Å
1057	W	52	Low	59.2	Low	167 Å²	167	99.1 Å²	99.1	63%	0.633	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-134.2	62.2	-173.3	-50.2	94.2	0	0	0	110.2	K1055 D1059	K1055-W1057 VanDerWaalsContact C-N 3.25Å; K1055-W1057 PolarHBondContact O-N 2.93Å; W1057-D1059 VanDerWaalsContact C-N 3.26Å; W1057-D1059 PolarHBondContact O-N 3.29Å
1058	S	40.8	Very low	57.2	Low	97 Å²	97	103.9 Å²	103.9	68%	0.678	56%	0.558	S	S	*	*			trans	-66.1	96.4	154.9	-65.5	0	0	0	0	107.9	D1060	S1058-D1060 PolarHBondContact O-N 3.01Å
1059	D	42	Very low	55.4	Low	126 Å²	126	106.2 Å²	106.2	67%	0.674	58%	0.575	S	S	*	*			trans	-71.1	61.3	177.8	-70	-22.6	0	0	0	111.4	W1057 D1061	W1057-D1059 VanDerWaalsContact C-N 3.26Å; W1057-D1059 PolarHBondContact O-N 3.29Å; D1059-D1061 PolarHBondContact O-N 3.35Å
1060	D	43.2	Very low	53.8	Low	124 Å²	124	102.6 Å²	102.6	66%	0.663	56%	0.556	S	S	*	*			trans	-76.8	12.2	160.4	-131.5	-2.6	0	0	0	110.9	S1058 K1062	S1058-D1060 PolarHBondContact O-N 3.01Å; D1060-K1062 PolarHBondContact O-N 3.48Å
1061	D	45.8	Very low	52.3	Low	86 Å²	86	100.2 Å²	100.2	46%	0.46	54%	0.536	S	S	.	.			trans	-65.1	65	155.3	-87.3	-31.3	0	0	0	109.3	K748 D1059 E1063	K748-D1061 IonicContact NZ-OD1 2.72Å; K748-D1061 PolarHBondContact NZ-OD1 3.42Å; K748-D1061 IonicContact NZ-OD2 3.03Å; D1059-D1061 PolarHBondContact O-N 3.35Å; D1061-E1063 HydrophobicContact CB-CG 4.11Å; D1061-E1063 PolarHBondContact O-N 2.97Å
1062	K	47.7	Very low	50.7	Low	167 Å²	167	99.2 Å²	99.2	73%	0.726	54%	0.535	S	S	*	.			trans	-65.2	72.9	150.9	-76.9	173.6	179.9	149.4	0	107.9	D1060 G1064	D1060-K1062 PolarHBondContact O-N 3.48Å; K1062-G1064 VanDerWaalsContact C-N 3.3Å; K1062-G1064 PolarHBondContact O-N 3.47Å
1063	E	52.7	Low	49.7	Very low	142 Å²	142	102.2 Å²	102.2	66%	0.664	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	86.6	178.7	-74.4	-150.4	107.4	0	0	110.8	D1061 N1067	D1061-E1063 HydrophobicContact CB-CG 4.11Å; D1061-E1063 PolarHBondContact O-N 2.97Å; E1063-N1067 PolarHBondContact OE1-ND2 3.01Å
1064	G	44.1	Very low	49.1	Very low	73 Å²	73	102 Å²	102	75%	0.753	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151.3	-11	173.9	0	0	0	0	0	115.6	K1062	K1062-G1064 VanDerWaalsContact C-N 3.3Å; K1062-G1064 PolarHBondContact O-N 3.47Å
1065	N	46.4	Very low	48.3	Very low	128 Å²	128	103.3 Å²	103.3	68%	0.684	53%	0.53	S	S	*	.	S	Bend	trans	-150.7	-24.2	-175	-142.4	-16.2	0	0	0	115.4
1066	I	49.4	Very low	47.5	Very low	109 Å²	109	102.1 Å²	102.1	56%	0.559	53%	0.531	S	S	*	.	H	α-helix	trans	-76.5	-37.3	-172.7	-53.4	177.8	0	0	0	112.1	D1068 T1069 L1070	I1066-D1068 PolarHBondContact O-N 3.3Å; I1066-T1069 WeakPolarHBondContact O-CB 3.43Å; I1066-T1069 PolarHBondContact O-N 2.95Å; I1066-L1070 PolarHBondContact O-N 3.02Å
1067	N	45.6	Very low	46.9	Very low	80 Å²	80	103.4 Å²	103.4	43%	0.428	55%	0.552	S	S	.	*	H	α-helix	trans	-59.1	-32.6	178.2	-76.9	-31.3	0	0	0	112.5	E1063 N1071	E1063-N1067 PolarHBondContact OE1-ND2 3.01Å; N1067-N1071 VanDerWaalsContact O-CB 3.27Å; N1067-N1071 WeakPolarHBondContact O-CB 3.36Å; N1067-N1071 VanDerWaalsContact O-CG 3.24Å; N1067-N1071 PolarHBondContact O-N 3.41Å; N1067-N1071 PolarHBondContact O-ND2 2.94Å; N1067-N1071 VanDerWaalsContact O-ND2 3.13Å
1068	D	49.9	Very low	46.9	Very low	107 Å²	107	102.3 Å²	102.3	57%	0.572	55%	0.552	S	S	*	*	H	α-helix	trans	-73.4	-25	175.5	-103.9	-28.3	0	0	0	113.6	I1066 G1072	I1066-D1068 PolarHBondContact O-N 3.3Å; D1068-G1072 WeakPolarHBondContact O-CA 3.49Å; D1068-G1072 PolarHBondContact O-N 3.33Å
1069	T	51	Low	47.5	Very low	89 Å²	89	100.4 Å²	100.4	55%	0.546	53%	0.532	S	S	.	.	H	α-helix	trans	-70	-43.5	173.3	-58.3	0	0	0	0	110.8	I1066 G1072 W1073	I1066-T1069 WeakPolarHBondContact O-CB 3.43Å; I1066-T1069 PolarHBondContact O-N 2.95Å; T1069-G1072 PolarHBondContact O-N 3.2Å; T1069-W1073 PolarHBondContact O-N 3.3Å
1070	L	49.3	Very low	48.2	Very low	46 Å²	46	96 Å²	96	24%	0.241	51%	0.511	C	S	.	.	H	α-helix	trans	-69.4	-43.9	177.1	-162.3	72.6	0	0	0	111.2	K748 I1066 G1072 W1073 Y1074	K748-L1070 HydrophobicContact CB-CD2 4.17Å; I1066-L1070 PolarHBondContact O-N 3.02Å; L1070-G1072 VanDerWaalsContact C-N 3.32Å; L1070-G1072 PolarHBondContact O-N 2.86Å; L1070-W1073 WeakPolarHBondContact O-CB 3.2Å; L1070-W1073 PolarHBondContact O-N 3.09Å; L1070-W1073 VanDerWaalsContact O-N 3.15Å; L1070-Y1074 HydrophobicContact CD2-CE2 3.91Å; L1070-Y1074 HydrophobicContact CG-CD2 4.45Å; L1070-Y1074 HydrophobicContact CG-CE2 3.67Å; L1070-Y1074 VanDerWaalsContact O-CD2 3.31Å; L1070-Y1074 WeakPolarHBondContact O-CD2 3.2Å; L1070-Y1074 PolarHBondContact O-N 3.26Å
1071	N	48.7	Very low	48.7	Very low	69 Å²	69	92.2 Å²	92.2	37%	0.369	49%	0.489	S	S	.	.	H	α-helix	trans	-64.3	-33.8	173.5	-73.9	-32.8	0	0	0	112.6	N1067 W1073 Y1074 K1075	N1067-N1071 VanDerWaalsContact O-CB 3.27Å; N1067-N1071 WeakPolarHBondContact O-CB 3.36Å; N1067-N1071 VanDerWaalsContact O-CG 3.24Å; N1067-N1071 PolarHBondContact O-N 3.41Å; N1067-N1071 PolarHBondContact O-ND2 2.94Å; N1067-N1071 VanDerWaalsContact O-ND2 3.13Å; N1071-W1073 VanDerWaalsContact C-N 3.35Å; N1071-Y1074 PolarHBondContact O-N 2.84Å; N1071-K1075 WeakPolarHBondContact O-CB 3.38Å; N1071-K1075 WeakPolarHBondContact O-CG 3.34Å; N1071-K1075 PolarHBondContact O-N 3.18Å
1072	G	47.3	Very low	49.4	Very low	20 Å²	20	89.9 Å²	89.9	21%	0.206	48%	0.475	C	S	.	.	H	α-helix	trans	-62.7	-41	171.3	0	0	0	0	0	111.9	D1068 T1069 L1070 Y1074 K1075 N1076	D1068-G1072 WeakPolarHBondContact O-CA 3.49Å; D1068-G1072 PolarHBondContact O-N 3.33Å; T1069-G1072 PolarHBondContact O-N 3.2Å; L1070-G1072 VanDerWaalsContact C-N 3.32Å; L1070-G1072 PolarHBondContact O-N 2.86Å; G1072-Y1074 VanDerWaalsContact C-N 3.35Å; G1072-Y1074 PolarHBondContact O-N 2.71Å; G1072-K1075 PolarHBondContact O-N 3.18Å; G1072-N1076 VanDerWaalsContact O-CB 3.25Å; G1072-N1076 WeakPolarHBondContact O-CB 3.35Å; G1072-N1076 PolarHBondContact O-N 3.29Å; G1072-N1076 PolarHBondContact O-ND2 3.29Å; G1072-N1076 VanDerWaalsContact O-ND2 3.15Å
1073	W	50.8	Low	50.3	Low	119 Å²	119	81.9 Å²	81.9	45%	0.451	44%	0.44	S	S	.	.	H	α-helix	trans	-63.1	-40.1	174.3	-148.7	-56.8	0	0	0	112.2	T1069 L1070 N1071 K1078	T1069-W1073 PolarHBondContact O-N 3.3Å; L1070-W1073 WeakPolarHBondContact O-CB 3.2Å; L1070-W1073 PolarHBondContact O-N 3.09Å; L1070-W1073 VanDerWaalsContact O-N 3.15Å; N1071-W1073 VanDerWaalsContact C-N 3.35Å; W1073-K1078 PolarHBondContact NE1-O 3.09Å
1074	Y	52.7	Low	51.5	Low	81 Å²	81	76 Å²	76	32%	0.318	41%	0.413	S	S	.	.	H	α-helix	trans	-69	-41.3	174.9	-59.8	-37.8	0	0	0	112.9	L1070 N1071 G1072 H1079	L1070-Y1074 HydrophobicContact CD2-CE2 3.91Å; L1070-Y1074 HydrophobicContact CG-CD2 4.45Å; L1070-Y1074 HydrophobicContact CG-CE2 3.67Å; L1070-Y1074 VanDerWaalsContact O-CD2 3.31Å; L1070-Y1074 WeakPolarHBondContact O-CD2 3.2Å; L1070-Y1074 PolarHBondContact O-N 3.26Å; N1071-Y1074 PolarHBondContact O-N 2.84Å; G1072-Y1074 VanDerWaalsContact C-N 3.35Å; G1072-Y1074 PolarHBondContact O-N 2.71Å; Y1074-H1079 AromaticContact CD1-CD2 3.85Å; Y1074-H1079 AromaticContact CD1-CE1 3.35Å; Y1074-H1079 WeakPolarHBondContact CD1-CE1 3.41Å; Y1074-H1079 AromaticContact CD1-ND1 3.73Å; Y1074-H1079 AromaticContact CD1-NE2 3.41Å; Y1074-H1079 WeakPolarHBondContact CD1-NE2 3.29Å; Y1074-H1079 AromaticContact CE1-CE1 3.49Å; Y1074-H1079 VanDerWaalsContact CE1-CE1 3.49Å; Y1074-H1079 WeakPolarHBondContact CE1-CE1 3.41Å; Y1074-H1079 AromaticContact CE1-ND1 3.98Å; Y1074-H1079 AromaticContact CE1-NE2 3.96Å
1075	K	42.6	Very low	52.5	Low	158 Å²	158	75.9 Å²	75.9	69%	0.687	39%	0.39	S	S	*	.	H	α-helix	trans	-68.3	-33.2	178.6	-74.2	167.5	-178.1	172.5	0	113.1	N1071 G1072 G1077	N1071-K1075 WeakPolarHBondContact O-CB 3.38Å; N1071-K1075 WeakPolarHBondContact O-CG 3.34Å; N1071-K1075 PolarHBondContact O-N 3.18Å; G1072-K1075 PolarHBondContact O-N 3.18Å; K1075-G1077 PolarHBondContact O-N 3.05Å
1076	N	41.1	Very low	53.8	Low	122 Å²	122	71.3 Å²	71.3	65%	0.652	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	12.5	-174	-72.2	-20	0	0	0	115	G1072 K1078	G1072-N1076 VanDerWaalsContact O-CB 3.25Å; G1072-N1076 WeakPolarHBondContact O-CB 3.35Å; G1072-N1076 PolarHBondContact O-N 3.29Å; G1072-N1076 PolarHBondContact O-ND2 3.29Å; G1072-N1076 VanDerWaalsContact O-ND2 3.15Å; N1076-K1078 PolarHBondContact O-N 3.21Å
1077	G	42.7	Very low	55.3	Low	61 Å²	61	66.3 Å²	66.3	63%	0.629	34%	0.339	S	S	*	.	S	Bend	trans	67.7	-5.2	178.2	0	0	0	0	0	115.8	K1075 H1079	K1075-G1077 PolarHBondContact O-N 3.05Å; G1077-H1079 PolarHBondContact O-N 3.36Å
1078	K	51.4	Low	57	Low	145 Å²	145	66.6 Å²	66.6	63%	0.63	34%	0.343	S	S	*	.			trans	-81.4	35.7	176.5	-64.3	-173.8	178.6	-177	0	112.3	W1073 N1076 P1080	W1073-K1078 PolarHBondContact NE1-O 3.09Å; N1076-K1078 PolarHBondContact O-N 3.21Å; K1078-P1080 WeakPolarHBondContact O-CD 3.46Å
1079	H	52.9	Low	58.5	Low	57 Å²	57	63.5 Å²	63.5	26%	0.264	33%	0.325	S	S	.	.			trans	-73.6	125.6	-168.8	-156.2	-34.2	0	0	0	110.3	Y1074 G1077 E1081	Y1074-H1079 AromaticContact CD1-CD2 3.85Å; Y1074-H1079 AromaticContact CD1-CE1 3.35Å; Y1074-H1079 WeakPolarHBondContact CD1-CE1 3.41Å; Y1074-H1079 AromaticContact CD1-ND1 3.73Å; Y1074-H1079 AromaticContact CD1-NE2 3.41Å; Y1074-H1079 WeakPolarHBondContact CD1-NE2 3.29Å; Y1074-H1079 AromaticContact CE1-CE1 3.49Å; Y1074-H1079 VanDerWaalsContact CE1-CE1 3.49Å; Y1074-H1079 WeakPolarHBondContact CE1-CE1 3.41Å; Y1074-H1079 AromaticContact CE1-ND1 3.98Å; Y1074-H1079 AromaticContact CE1-NE2 3.96Å; G1077-H1079 PolarHBondContact O-N 3.36Å; H1079-E1081 HydrophobicContact CB-CG 3.75Å; H1079-E1081 IonicContact CD2-OE1 3.86Å; H1079-E1081 IonicContact CG-OE1 2.69Å; H1079-E1081 PolarHBondContact O-N 3.48Å
1080	P	56.3	Low	59.8	Low	34 Å²	34	61.8 Å²	61.8	22%	0.221	31%	0.308	C	S	.	.			trans	-76.8	47.8	178.6	30.8	-35.9	0	0	0	112.3	L751 K1078 H1082 A1083	L751-P1080 HydrophobicContact CD1-CG 3.78Å; L751-P1080 HydrophobicContact CD2-CB 3.86Å; L751-P1080 HydrophobicContact CD2-CG 3.6Å; L751-P1080 HydrophobicContact CG-CG 4.3Å; K1078-P1080 WeakPolarHBondContact O-CD 3.46Å; P1080-H1082 PolarHBondContact O-N 3.27Å; P1080-A1083 HydrophobicContact CB-CB 4.16Å; P1080-A1083 WeakPolarHBondContact O-CB 3.46Å; P1080-A1083 PolarHBondContact O-N 2.58Å
1081	E	53.6	Low	60.7	Low	44 Å²	44	60.6 Å²	60.6	21%	0.206	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-29.4	-172.7	-68.1	166.1	156.6	0	0	113.6	Y643 S644 H1079	Y643-E1081 WeakPolarHBondContact CA-OE2 3.25Å; Y643-E1081 HydrophobicContact CD1-CB 4.26Å; Y643-E1081 HydrophobicContact CD1-CG 4.29Å; S644-E1081 PolarHBondContact N-OE2 3.31Å; H1079-E1081 HydrophobicContact CB-CG 3.75Å; H1079-E1081 IonicContact CD2-OE1 3.86Å; H1079-E1081 IonicContact CG-OE1 2.69Å; H1079-E1081 PolarHBondContact O-N 3.48Å
1082	H	61.7	Low	61.1	Low	36 Å²	36	58.1 Å²	58.1	17%	0.167	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-1.7	179	55.6	-85.2	0	0	0	113.7	A647 F650 K760 Y870 P1080 F1084	A647-H1082 HydrophobicContact CB-CB 4.29Å; F650-H1082 HydrophobicContact CD1-CB 3.81Å; F650-H1082 HydrophobicContact CE1-CB 4.24Å; K760-H1082 PolarHBondContact NZ-O 2.97Å; Y870-H1082 AromaticContact CE1-CD2 3.85Å; Y870-H1082 AromaticContact CZ-CD2 3.94Å; Y870-H1082 PolarHBondContact OH-CD2 3.26Å; P1080-H1082 PolarHBondContact O-N 3.27Å; H1082-F1084 VanDerWaalsContact C-N 3.34Å; H1082-F1084 PolarHBondContact O-N 3.49Å
1083	A	67	Low	61.3	Low	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.291	C	S	.	.	S	Bend	trans	-60.5	-41	179	0	0	0	0	0	112.5	L751 V756 K760 P1080	L751-A1083 HydrophobicContact CD2-CB 4.17Å; V756-A1083 HydrophobicContact CB-CB 4.37Å; V756-A1083 HydrophobicContact CG1-CB 3.52Å; V756-A1083 WeakPolarHBondContact CG1-O 3.05Å; V756-A1083 HydrophobicContact CG2-CB 3.87Å; K760-A1083 WeakPolarHBondContact CE-O 3.15Å; P1080-A1083 HydrophobicContact CB-CB 4.16Å; P1080-A1083 WeakPolarHBondContact O-CB 3.46Å; P1080-A1083 PolarHBondContact O-N 2.58Å
1084	F	78.1	Confident	60.9	Low	19 Å²	19	57.7 Å²	57.7	8%	0.083	29%	0.285	C	S	.	.	S	Bend	trans	-121	15.6	-175.1	-48	-56.3	0	0	0	113	K747 V750 L751 V756 Q782 L787 H1082 E1086 F1087	K747-F1084 HydrophobicContact CB-CE2 4.31Å; K747-F1084 HydrophobicContact CD-CD2 4.35Å; K747-F1084 HydrophobicContact CG-CD2 4.3Å; K747-F1084 HydrophobicContact CG-CE2 4.06Å; V750-F1084 HydrophobicContact CB-CZ 4.33Å; V750-F1084 HydrophobicContact CG1-CE1 3.94Å; V750-F1084 HydrophobicContact CG1-CZ 3.82Å; L751-F1084 HydrophobicContact CD1-CE2 4.29Å; L751-F1084 HydrophobicContact CD2-CE2 3.88Å; L751-F1084 HydrophobicContact CD2-CZ 3.87Å; L751-F1084 HydrophobicContact CG-CE2 3.99Å; L751-F1084 HydrophobicContact CG-CZ 4.11Å; V756-F1084 HydrophobicContact CG1-CE1 4.27Å; V756-F1084 HydrophobicContact CG2-CE1 4.22Å; V756-F1084 HydrophobicContact CG2-CZ 4.1Å; Q782-F1084 PolarHBondContact NE2-O 3.4Å; L787-F1084 HydrophobicContact CD1-CD1 3.65Å; L787-F1084 HydrophobicContact CD1-CE1 3.58Å; L787-F1084 HydrophobicContact CD1-CG 4.26Å; L787-F1084 HydrophobicContact CD1-CZ 4.11Å; L787-F1084 HydrophobicContact CD2-CB 4.12Å; L787-F1084 HydrophobicContact CD2-CD1 4.08Å; L787-F1084 HydrophobicContact CD2-CD2 4.38Å; L787-F1084 HydrophobicContact CD2-CG 3.92Å; H1082-F1084 VanDerWaalsContact C-N 3.34Å; H1082-F1084 PolarHBondContact O-N 3.49Å; F1084-E1086 VanDerWaalsContact C-N 3.28Å; F1084-E1086 PolarHBondContact O-N 3.33Å; F1084-F1087 HydrophobicContact CB-CB 4.11Å; F1084-F1087 WeakPolarHBondContact O-CB 3.31Å; F1084-F1087 PolarHBondContact O-N 2.71Å
1085	Y	64.9	Low	60.4	Low	70 Å²	70	58.6 Å²	58.6	28%	0.275	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-41	-174.3	167.4	-123.1	0	0	0	113.6	F650 F651	F650-Y1085 HydrophobicContact CD1-CD1 4.31Å; F650-Y1085 AromaticContact CE1-CD1 3.85Å; F650-Y1085 HydrophobicContact CE1-CD1 3.85Å; F651-Y1085 HydrophobicContact CB-CE1 4.23Å; F651-Y1085 AromaticContact CD2-CD2 3.94Å; F651-Y1085 HydrophobicContact CD2-CD2 3.94Å; F651-Y1085 HydrophobicContact CD2-CE1 4.19Å; F651-Y1085 AromaticContact CD2-CE2 3.14Å; F651-Y1085 HydrophobicContact CD2-CE2 3.14Å; F651-Y1085 AromaticContact CD2-CZ 3.29Å; F651-Y1085 VanDerWaalsContact CD2-OH 3.29Å; F651-Y1085 WeakPolarHBondContact CD2-OH 3.25Å; F651-Y1085 HydrophobicContact CE2-CD2 4.43Å; F651-Y1085 AromaticContact CE2-CE2 3.41Å; F651-Y1085 HydrophobicContact CE2-CE2 3.41Å; F651-Y1085 VanDerWaalsContact CE2-CE2 3.41Å; F651-Y1085 AromaticContact CE2-CZ 3.72Å; F651-Y1085 WeakPolarHBondContact CE2-OH 3.5Å; F651-Y1085 HydrophobicContact CG-CE1 4.3Å; F651-Y1085 HydrophobicContact CG-CE2 4.03Å; F651-Y1085 AromaticContact CG-CZ 3.7Å; F651-Y1085 WeakPolarHBondContact CG-OH 3.39Å; F651-Y1085 HydrophobicContact CZ-CE2 4.45Å
1086	E	72.1	Confident	60.2	Low	31 Å²	31	56.6 Å²	56.6	15%	0.145	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	9.4	177.7	-63.3	-165.2	106.9	0	0	114	Q654 N658 R763 F1084 T1088	Q654-E1086 VanDerWaalsContact CG-CD 3.4Å; Q654-E1086 HydrophobicContact CG-CG 4.38Å; Q654-E1086 VanDerWaalsContact CG-OE1 3.27Å; Q654-E1086 WeakPolarHBondContact CG-OE1 3.42Å; Q654-E1086 WeakPolarHBondContact CG-OE2 3.35Å; N658-E1086 PolarHBondContact ND2-OE1 3.38Å; R763-E1086 PolarHBondContact NH1-O 3.06Å; F1084-E1086 VanDerWaalsContact C-N 3.28Å; F1084-E1086 PolarHBondContact O-N 3.33Å; E1086-T1088 PolarHBondContact O-N 3.24Å
1087	F	81.6	Confident	60.2	Low	5 Å²	5	51.6 Å²	51.6	2%	0.022	27%	0.27	C	S	.	.			trans	-59.8	-24.6	-169.7	-173	-93.6	0	0	0	113.7	V759 R763 S780 F781 Q782 L787 Y788 F789 F1084 F1089	V759-F1087 HydrophobicContact CG1-CD2 4.17Å; V759-F1087 HydrophobicContact CG1-CE2 3.69Å; R763-F1087 HydrophobicContact CB-CE2 4.35Å; R763-F1087 WeakPolarHBondContact CD-O 3.49Å; R763-F1087 HydrophobicContact CG-CE2 4.46Å; S780-F1087 PolarHBondContact OG-O 3.19Å; F781-F1087 VanDerWaalsContact O-CE1 3.26Å; F781-F1087 WeakPolarHBondContact O-CE1 3.46Å; Q782-F1087 HydrophobicContact CB-CD1 4.3Å; L787-F1087 HydrophobicContact CB-CD1 4.24Å; L787-F1087 HydrophobicContact CB-CE1 3.74Å; L787-F1087 HydrophobicContact CB-CE2 4.31Å; L787-F1087 HydrophobicContact CB-CZ 3.79Å; L787-F1087 HydrophobicContact CD1-CD2 4.4Å; L787-F1087 HydrophobicContact CD1-CE2 4.35Å; L787-F1087 HydrophobicContact CD2-CB 4.44Å; L787-F1087 HydrophobicContact CD2-CD1 3.8Å; L787-F1087 HydrophobicContact CD2-CD2 4.36Å; L787-F1087 HydrophobicContact CD2-CE1 4.2Å; L787-F1087 HydrophobicContact CD2-CG 3.91Å; L787-F1087 HydrophobicContact CG-CE1 4.49Å; Y788-F1087 WeakPolarHBondContact O-CE1 3.38Å; F789-F1087 HydrophobicContact CD1-CZ 4.34Å; F789-F1087 AromaticContact CD2-CZ 3.85Å; F789-F1087 HydrophobicContact CD2-CZ 3.85Å; F789-F1087 HydrophobicContact CE1-CE2 4.08Å; F789-F1087 HydrophobicContact CE1-CZ 4.1Å; F789-F1087 AromaticContact CE2-CE2 3.8Å; F789-F1087 HydrophobicContact CE2-CE2 3.8Å; F789-F1087 AromaticContact CE2-CZ 3.57Å; F789-F1087 HydrophobicContact CE2-CZ 3.57Å; F789-F1087 HydrophobicContact CG-CZ 4.23Å; F789-F1087 AromaticContact CZ-CE2 3.57Å; F789-F1087 HydrophobicContact CZ-CE2 3.57Å; F789-F1087 AromaticContact CZ-CZ 3.72Å; F789-F1087 HydrophobicContact CZ-CZ 3.72Å; F1084-F1087 HydrophobicContact CB-CB 4.11Å; F1084-F1087 WeakPolarHBondContact O-CB 3.31Å; F1084-F1087 PolarHBondContact O-N 2.71Å; F1087-F1089 PolarHBondContact O-N 3.39Å
1088	T	82	Confident	60	Low	86 Å²	86	53.2 Å²	53.2	53%	0.528	26%	0.258	S	S	.	.			trans	-75.1	112.9	178.8	-50.4	0	0	0	0	112.3	S780 F781 E1086	S780-T1088 CarbonylContact O-C 3.58Å; S780-T1088 VanDerWaalsContact O-CA 3.23Å; S780-T1088 WeakPolarHBondContact O-CA 3.3Å; F781-T1088 HydrophobicContact CB-CG2 4.41Å; E1086-T1088 PolarHBondContact O-N 3.24Å
1089	F	81.6	Confident	59.8	Low	42 Å²	42	47.4 Å²	47.4	18%	0.184	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	155.7	172.8	165.5	-98.8	0	0	0	110.9	A767 L777 S780 F1087 R1091	A767-F1089 HydrophobicContact CB-CD1 3.91Å; A767-F1089 HydrophobicContact CB-CD2 3.75Å; A767-F1089 HydrophobicContact CB-CE1 3.83Å; A767-F1089 HydrophobicContact CB-CE2 3.67Å; A767-F1089 HydrophobicContact CB-CG 3.86Å; A767-F1089 HydrophobicContact CB-CZ 3.7Å; L777-F1089 HydrophobicContact CD2-CD1 3.65Å; L777-F1089 HydrophobicContact CD2-CE1 4.06Å; L777-F1089 HydrophobicContact CG-CD1 4.05Å; L777-F1089 HydrophobicContact CG-CE1 4.21Å; S780-F1089 PolarHBondContact N-O 2.99Å; S780-F1089 PolarHBondContact O-N 2.99Å; S780-F1089 WeakPolarHBondContact OG-CB 3.26Å; S780-F1089 PolarHBondContact OG-N 3.49Å; F1087-F1089 PolarHBondContact O-N 3.39Å; F1089-R1091 HydrophobicContact CE1-CB 3.86Å; F1089-R1091 VanDerWaalsContact CE1-N 3.29Å; F1089-R1091 HydrophobicContact CZ-CB 3.88Å
1090	R	77.1	Confident	59.1	Low	53 Å²	53	51.4 Å²	51.4	20%	0.2	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	115.5	171.6	178	160.1	-167.4	167.6	10.1	107.4	Y778 Y779 F1092	Y778-R1090 CarbonylContact O-C 3.49Å; Y779-R1090 HydrophobicContact CD1-CB 4.41Å; Y779-R1090 HydrophobicContact CD1-CG 3.84Å; Y779-R1090 HydrophobicContact CE1-CG 4.02Å; R1090-F1092 HydrophobicContact CB-CD2 4.42Å; R1090-F1092 HydrophobicContact CB-CE2 3.77Å; R1090-F1092 HydrophobicContact CB-CZ 3.88Å; R1090-F1092 HydrophobicContact CG-CD1 4.32Å; R1090-F1092 HydrophobicContact CG-CD2 4.25Å; R1090-F1092 HydrophobicContact CG-CE1 3.92Å; R1090-F1092 HydrophobicContact CG-CE2 3.84Å; R1090-F1092 HydrophobicContact CG-CG 4.48Å; R1090-F1092 HydrophobicContact CG-CZ 3.66Å; R1090-F1092 WeakPolarHBondContact O-CD2 3.49Å; R1090-F1092 WeakPolarHBondContact O-CE2 3.48Å; R1090-F1092 PolarHBondContact O-N 3.34Å
1091	R	69.1	Low	58.4	Low	20 Å²	20	52.1 Å²	52.1	8%	0.075	25%	0.25	C	S	.	.			trans	-66.1	118.1	161.3	-167.1	171.2	-62.9	-110.1	0.1	105.9	L766 A769 D770 L777 Y778 F1089	L766-R1091 PolarHBondContact O-NH2 3.46Å; A769-R1091 VanDerWaalsContact O-CZ 3.28Å; A769-R1091 PolarHBondContact O-NH1 2.99Å; A769-R1091 PolarHBondContact O-NH2 3.24Å; D770-R1091 IonicContact OD1-NH1 3.81Å; D770-R1091 PolarHBondContact OD1-NH1 2.94Å; D770-R1091 VanDerWaalsContact OD1-NH1 3.14Å; L777-R1091 WeakPolarHBondContact O-CB 3.33Å; L777-R1091 PolarHBondContact O-NE 3.23Å; Y778-R1091 PolarHBondContact O-N 3.46Å; F1089-R1091 HydrophobicContact CE1-CB 3.86Å; F1089-R1091 VanDerWaalsContact CE1-N 3.29Å; F1089-R1091 HydrophobicContact CZ-CB 3.88Å
1092	F	56.9	Low	57.5	Low	18 Å²	18	54 Å²	54	8%	0.079	26%	0.261	C	S	.	.			trans	-90	158.6	166	-62.8	-90.2	0	0	0	106.9	Y701 L704 R705 R1090	Y701-F1092 HydrophobicContact CD2-CB 4.29Å; Y701-F1092 AromaticContact CD2-CD1 3.93Å; Y701-F1092 HydrophobicContact CD2-CD1 3.93Å; Y701-F1092 HydrophobicContact CD2-CD2 4.08Å; Y701-F1092 HydrophobicContact CD2-CE1 4.31Å; Y701-F1092 HydrophobicContact CD2-CE2 4.45Å; Y701-F1092 AromaticContact CD2-CG 3.81Å; Y701-F1092 HydrophobicContact CD2-CG 3.81Å; Y701-F1092 HydrophobicContact CE2-CB 4.21Å; Y701-F1092 HydrophobicContact CE2-CD1 4.17Å; Y701-F1092 AromaticContact CE2-CD2 3.46Å; Y701-F1092 HydrophobicContact CE2-CD2 3.46Å; Y701-F1092 VanDerWaalsContact CE2-CD2 3.46Å; Y701-F1092 HydrophobicContact CE2-CE1 4.46Å; Y701-F1092 AromaticContact CE2-CE2 3.82Å; Y701-F1092 HydrophobicContact CE2-CE2 3.82Å; Y701-F1092 AromaticContact CE2-CG 3.66Å; Y701-F1092 HydrophobicContact CE2-CG 3.66Å; Y701-F1092 HydrophobicContact CE2-CZ 4.31Å; L704-F1092 HydrophobicContact CB-CE1 4Å; L704-F1092 HydrophobicContact CD2-CD1 3.98Å; L704-F1092 HydrophobicContact CD2-CE1 3.88Å; L704-F1092 HydrophobicContact CG-CD1 4.47Å; L704-F1092 HydrophobicContact CG-CE1 3.86Å; R705-F1092 HydrophobicContact CB-CZ 3.94Å; R705-F1092 HydrophobicContact CG-CE2 4.44Å; R705-F1092 HydrophobicContact CG-CZ 4.14Å; R1090-F1092 HydrophobicContact CB-CD2 4.42Å; R1090-F1092 HydrophobicContact CB-CE2 3.77Å; R1090-F1092 HydrophobicContact CB-CZ 3.88Å; R1090-F1092 HydrophobicContact CG-CD1 4.32Å; R1090-F1092 HydrophobicContact CG-CD2 4.25Å; R1090-F1092 HydrophobicContact CG-CE1 3.92Å; R1090-F1092 HydrophobicContact CG-CE2 3.84Å; R1090-F1092 HydrophobicContact CG-CG 4.48Å; R1090-F1092 HydrophobicContact CG-CZ 3.66Å; R1090-F1092 WeakPolarHBondContact O-CD2 3.49Å; R1090-F1092 WeakPolarHBondContact O-CE2 3.48Å; R1090-F1092 PolarHBondContact O-N 3.34Å
1093	F	52.2	Low	56.1	Low	67 Å²	67	56.8 Å²	56.8	29%	0.294	28%	0.283	S	S	.	.			trans	79	52.2	159.2	-58.6	-47.3	0	0	0	117.6	A20 S21 N22 Y701	A20-F1093 HydrophobicContact CB-CD1 3.55Å; A20-F1093 HydrophobicContact CB-CE1 3.58Å; A20-F1093 HydrophobicContact CB-CG 4.39Å; A20-F1093 HydrophobicContact CB-CZ 4.43Å; A20-F1093 WeakPolarHBondContact O-CA 3.15Å; A20-F1093 WeakPolarHBondContact O-CB 3.47Å; A20-F1093 WeakPolarHBondContact O-CD1 3.41Å; S21-F1093 WeakPolarHBondContact O-CD2 3.42Å; N22-F1093 HydrophobicContact CB-CB 4.11Å; N22-F1093 HydrophobicContact CB-CD2 3.86Å; N22-F1093 VanDerWaalsContact N-CB 3.26Å; Y701-F1093 HydrophobicContact CD2-CE2 4.08Å; Y701-F1093 HydrophobicContact CD2-CZ 4.09Å; Y701-F1093 HydrophobicContact CE2-CE2 4.45Å
1094	D	41.1	Very low	54.2	Low	63 Å²	63	65.9 Å²	65.9	34%	0.337	32%	0.323	S	S	.	.	S	Bend	trans	-130.7	156.6	157.9	-79.2	-57.2	0	0	0	110.2	R776 N1096	R776-D1094 WeakPolarHBondContact CD-OD2 3.45Å; R776-D1094 IonicContact CZ-OD2 3.96Å; R776-D1094 IonicContact NH1-OD1 3.3Å; R776-D1094 PolarHBondContact NH1-OD1 3.09Å; R776-D1094 IonicContact NH1-OD2 2.74Å; R776-D1094 PolarHBondContact NH1-OD2 2.99Å; D1094-N1096 PolarHBondContact O-N 3.36Å; D1094-N1096 VanDerWaalsContact O-N 3.16Å
1095	D	42.8	Very low	51.9	Low	100 Å²	100	69.5 Å²	69.5	54%	0.535	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-48.1	107.5	-164.8	-78.1	-35.4	0	0	0	116.1	G1097 Y1098	D1095-G1097 PolarHBondContact O-N 3.26Å; D1095-Y1098 PolarHBondContact O-N 2.88Å
1096	N	37.2	Very low	50.3	Low	115 Å²	115	72.2 Å²	72.2	62%	0.615	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	49.3	12.2	169.7	-71.7	3	0	0	0	117.2	D1094 Y1098	D1094-N1096 PolarHBondContact O-N 3.36Å; D1094-N1096 VanDerWaalsContact O-N 3.16Å; N1096-Y1098 HydrophobicContact CB-CD2 4.01Å; N1096-Y1098 HydrophobicContact CB-CE2 4.06Å
1097	G	41.5	Very low	48.2	Very low	17 Å²	17	79.3 Å²	79.3	18%	0.175	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	77.8	30.6	-173	0	0	0	0	0	114.5	T736 A738 Y740 D1095	T736-G1097 WeakPolarHBondContact CB-O 3.48Å; T736-G1097 PolarHBondContact OG1-O 2.69Å; A738-G1097 WeakPolarHBondContact CB-O 3.43Å; Y740-G1097 PolarHBondContact OH-O 3.45Å; Y740-G1097 VanDerWaalsContact OH-O 3.1Å; D1095-G1097 PolarHBondContact O-N 3.26Å
1098	Y	39.8	Very low	45.8	Very low	96 Å²	96	87.8 Å²	87.8	38%	0.376	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-97.1	148.7	159.8	-63.4	-78.8	0	0	0	110	A738 D1095 N1096	A738-Y1098 HydrophobicContact CB-CD1 4.46Å; D1095-Y1098 PolarHBondContact O-N 2.88Å; N1096-Y1098 HydrophobicContact CB-CD2 4.01Å; N1096-Y1098 HydrophobicContact CB-CE2 4.06Å
1099	P	45.5	Very low	43.1	Very low	22 Å²	22	92.8 Å²	92.8	14%	0.143	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-66	154.4	163.1	32.1	-38	0	0	0	110	Y778	Y778-P1099 WeakPolarHBondContact OH-CA 3.35Å
1100	Y	40	Very low	40.7	Very low	141 Å²	141	101.5 Å²	101.5	55%	0.553	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	148.8	161.6	-153.6	-105.3	0	0	0	108.8
1101	N	40.5	Very low	38.3	Very low	50 Å²	50	102.1 Å²	102.1	27%	0.267	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	23.4	-178.6	-73.2	-0.9	0	0	0	119.7	R847 D848	R847-N1101 HydrophobicContact CG-CB 4.15Å; R847-N1101 VanDerWaalsContact NH1-C 3.27Å; R847-N1101 VanDerWaalsContact NH1-CA 3.33Å; R847-N1101 PolarHBondContact NH1-O 2.93Å; R847-N1101 PolarHBondContact NH2-OD1 3.42Å; R847-N1101 VanDerWaalsContact NH2-OD1 3.07Å; D848-N1101 PolarHBondContact OD2-ND2 3.16Å
1102	N	35	Very low	36.4	Very low	82 Å²	82	107.8 Å²	107.8	44%	0.439	54%	0.537	S	S	.	.			trans	-107.7	125.7	154.6	-156.5	48.2	0	0	0	110.4
1103	P	31.6	Very low	35.2	Very low	96 Å²	96	112.4 Å²	112.4	62%	0.623	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-62.3	149.7	172.4	27.7	-33.9	0	0	0	110
1104	K	28.7	Very low	34	Very low	190 Å²	190	117 Å²	117	83%	0.826	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-58.7	136.9	172.3	-67.7	175.4	-177.7	171.3	0	108.5	I1106	K1104-I1106 PolarHBondContact O-N 3.06Å
1105	P	29.7	Very low	33.4	Very low	96 Å²	96	121.6 Å²	121.6	62%	0.623	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-51.5	133.9	170	-25.2	34.4	0	0	0	109.6	E1107	P1105-E1107 PolarHBondContact O-N 3.16Å; P1105-E1107 VanDerWaalsContact O-N 3.08Å
1106	I	30.5	Very low	32.7	Very low	127 Å²	127	122.7 Å²	122.7	65%	0.651	63%	0.632	S	S	*	*			trans	-67.4	110.7	175	-62.6	173	0	0	0	106.6	K1104 Y1108	K1104-I1106 PolarHBondContact O-N 3.06Å; I1106-Y1108 HydrophobicContact CB-CD2 4.12Å; I1106-Y1108 HydrophobicContact CB-CE2 3.9Å; I1106-Y1108 HydrophobicContact CG2-CD2 3.79Å; I1106-Y1108 HydrophobicContact CG2-CE1 4.48Å; I1106-Y1108 HydrophobicContact CG2-CE2 3.72Å; I1106-Y1108 HydrophobicContact CG2-CG 4.23Å; I1106-Y1108 WeakPolarHBondContact O-CD2 3.44Å; I1106-Y1108 PolarHBondContact O-N 3.39Å
1107	E	28.6	Very low	32.4	Very low	180 Å²	180	126 Å²	126	84%	0.841	64%	0.643	S	S	*	*			trans	-68.2	88.4	167.7	-70.6	-177.3	150.1	0	0	107.4	P1105 E1109	P1105-E1107 PolarHBondContact O-N 3.16Å; P1105-E1107 VanDerWaalsContact O-N 3.08Å; E1107-E1109 PolarHBondContact O-N 3.44Å
1108	Y	29.5	Very low	31.8	Very low	182 Å²	182	134.2 Å²	134.2	71%	0.714	68%	0.677	S	S	*	*			trans	-65.9	100.4	170.3	-79.6	-86.7	0	0	0	108.6	I1106 Y1110	I1106-Y1108 HydrophobicContact CB-CD2 4.12Å; I1106-Y1108 HydrophobicContact CB-CE2 3.9Å; I1106-Y1108 HydrophobicContact CG2-CD2 3.79Å; I1106-Y1108 HydrophobicContact CG2-CE1 4.48Å; I1106-Y1108 HydrophobicContact CG2-CE2 3.72Å; I1106-Y1108 HydrophobicContact CG2-CG 4.23Å; I1106-Y1108 WeakPolarHBondContact O-CD2 3.44Å; I1106-Y1108 PolarHBondContact O-N 3.39Å; Y1108-Y1110 PolarHBondContact O-N 3.46Å; Y1108-Y1110 VanDerWaalsContact O-N 3.12Å
1109	E	26.8	Very low	31.2	Very low	191 Å²	191	137.3 Å²	137.3	89%	0.893	70%	0.695	S	S	*	*			trans	-60.5	112.9	167.3	-70.2	-170.7	132.2	0	0	108.8	E1107 G1111	E1107-E1109 PolarHBondContact O-N 3.44Å; E1109-G1111 VanDerWaalsContact C-N 3.31Å; E1109-G1111 PolarHBondContact O-N 3.47Å
1110	Y	29.7	Very low	30.3	Very low	226 Å²	226	141 Å²	141	89%	0.886	72%	0.722	S	S	*	*			trans	-69.3	90.9	171.3	-102.3	-97.9	0	0	0	109.2	Y1108 N1112	Y1108-Y1110 PolarHBondContact O-N 3.46Å; Y1108-Y1110 VanDerWaalsContact O-N 3.12Å; Y1110-N1112 PolarHBondContact O-N 3.5Å
1111	G	27.4	Very low	29.8	Very low	65 Å²	65	141 Å²	141	67%	0.67	73%	0.731	S	S	*	*			trans	-59.8	118.9	166.5	0	0	0	0	0	109.5	E1109 P1113	E1109-G1111 VanDerWaalsContact C-N 3.31Å; E1109-G1111 PolarHBondContact O-N 3.47Å; G1111-P1113 VanDerWaalsContact O-CD 3.28Å; G1111-P1113 WeakPolarHBondContact O-CD 3.46Å
1112	N	29.7	Very low	29.5	Very low	139 Å²	139	145.6 Å²	145.6	74%	0.743	76%	0.756	S	S	*	*			trans	-81.9	114.5	-174.6	178.6	47.8	0	0	0	111.6	Y1110	Y1110-N1112 PolarHBondContact O-N 3.5Å
1113	P	30.7	Very low	29.3	Very low	116 Å²	116	148.4 Å²	148.4	75%	0.753	77%	0.771	S	S	*	*			trans	-102.6	116.5	177.4	31.9	-17	0	0	0	111	G1111	G1111-P1113 VanDerWaalsContact O-CD 3.28Å; G1111-P1113 WeakPolarHBondContact O-CD 3.46Å
1114	Q	28.3	Very low	29.4	Very low	162 Å²	162	151 Å²	151	76%	0.757	78%	0.779	S	S	*	*			trans	-121.7	147.3	163.6	-97.8	-172.5	-36.1	0	0	109.7
1115	N	28.8	Very low	29.6	Very low	161 Å²	161	148.7 Å²	148.7	86%	0.861	78%	0.776	S	S	*	*			trans	67.7	125	-169.1	-48.3	-16.6	0	0	0	111.7
1116	S	28.4	Very low	29.9	Very low	122 Å²	122	151.1 Å²	151.1	85%	0.853	78%	0.784	S	S	*	*			cis	-144.6	162	41.4	40	0	0	0	0	114.3
1117	E	29.3	Very low	30	Very low	184 Å²	184	152 Å²	152	86%	0.86	79%	0.79	S	S	*	*			trans	-100.2	139.8	178.3	-58.3	168.5	123.6	0	0	111.5
1118	Q	28.8	Very low	30.3	Very low	190 Å²	190	150.3 Å²	150.3	89%	0.888	79%	0.787	S	S	*	*			trans	163	156.3	151.7	-93.3	154.1	16.8	0	0	109.5
1119	Q	28.2	Very low	30.5	Very low	161 Å²	161	148.7 Å²	148.7	75%	0.752	79%	0.786	S	S	*	*			cis	174.1	158.5	-44.4	175.3	164.4	10.1	0	0	106.4
1120	S	26.9	Very low	30.6	Very low	101 Å²	101	147 Å²	147	71%	0.706	78%	0.778	S	S	*	*			trans	64.6	122.4	-174.4	45.1	0	0	0	0	114.6
1121	D	28.9	Very low	30.6	Very low	139 Å²	139	141.1 Å²	141.1	74%	0.743	78%	0.776	S	S	*	*			cis	88.3	129.8	27.8	-49.2	-40.7	0	0	0	114.7
1122	D	33.5	Very low	30.6	Very low	147 Å²	147	142 Å²	142	79%	0.786	79%	0.785	S	S	*	*			trans	88.6	143.4	151.3	-56.1	-19.4	0	0	0	124.9
1123	D	32.3	Very low	30.7	Very low	141 Å²	141	147.7 Å²	147.7	75%	0.754	80%	0.796	S	S	*	*			trans	73.8	89.4	156.8	-57.4	-10.3	0	0	0	124.6
1124	D	33.8	Very low	30.5	Very low	151 Å²	151	145.6 Å²	145.6	81%	0.807	80%	0.795	S	S	*	*				60	160.1	107	-69.8	-2	0	0	0	127.2
1125	D	32.7	Very low	30.5	Very low	141 Å²	141	145 Å²	145	75%	0.754	80%	0.802	S	S	*	*			trans	77.7	88.6	162.4	-67.4	-0.3	0	0	0	124.1
1126	D	34.8	Very low	30.4	Very low	148 Å²	148	146.2 Å²	146.2	79%	0.791	80%	0.803	S	S	*	*				77.3	143.3	116.3	-76	-2.7	0	0	0	128.4
1127	D	33.8	Very low	30.4	Very low	145 Å²	145	147.7 Å²	147.7	78%	0.775	80%	0.801	S	S	*	*			trans	76.4	90.6	150.1	-77.6	-3.6	0	0	0	125.9
1128	D	34	Very low	30.3	Very low	145 Å²	145	150.5 Å²	150.5	78%	0.775	80%	0.804	S	S	*	*				107.9	144.2	105.6	-145.7	13.2	0	0	0	122.3
1129	E	32.8	Very low	30.3	Very low	148 Å²	148	148.4 Å²	148.4	69%	0.692	80%	0.798	S	S	*	*			trans	53	139.2	176.2	-62.4	-143.4	123.2	0	0	119.2
1130	Q	29.8	Very low	30.2	Very low	155 Å²	155	149.2 Å²	149.2	72%	0.724	81%	0.807	S	S	*	*			cis	-161.2	147.5	21.2	-141	170.8	65.8	0	0	113.6
1131	A	30	Very low	30.1	Very low	102 Å²	102	150.4 Å²	150.4	84%	0.843	81%	0.81	S	S	*	*			trans	49.2	113.9	153.1	0	0	0	0	0	123.2
1132	G	27.8	Very low	30	Very low	83 Å²	83	154 Å²	154	86%	0.856	81%	0.814	S	S	*	*			trans	179.9	122.5	157.3	0	0	0	0	0	115.7
1133	R	30.4	Very low	29.8	Very low	260 Å²	260	157 Å²	157	98%	0.981	84%	0.837	S	S	*	*			trans	-91.1	144.4	175.7	-66.4	-177.7	175.8	-162.4	-1	111.4
1134	G	27.3	Very low	29.7	Very low	72 Å²	72	157.8 Å²	157.8	74%	0.742	84%	0.842	S	S	*	*			trans	-144.9	-67.4	-176	0	0	0	0	0	117.7
1135	V	29.3	Very low	29.5	Very low	148 Å²	148	158.1 Å²	158.1	90%	0.897	84%	0.843	S	S	*	*			trans	67.3	128.8	-170.9	-173	0	0	0	0	114.7
1136	Q	26	Very low	29.3	Very low	188 Å²	188	159.1 Å²	159.1	88%	0.879	85%	0.848	S	S	*	*			trans	-126	166.6	173.8	-80.1	-167.5	-1.9	0	0	112.7
1137	N	27.3	Very low	29	Very low	152 Å²	152	159.7 Å²	159.7	81%	0.813	85%	0.852	S	S	*	*			trans	-55.3	162.5	-178.1	-59.8	-51.6	0	0	0	115.5
1138	R	27.1	Very low	28.7	Very low	244 Å²	244	160.6 Å²	160.6	92%	0.921	86%	0.857	S	S	*	*			trans	-148	150.2	131.7	-122.7	176	-175	173.1	3.2	112.3
1139	D	28.7	Very low	28.4	Very low	145 Å²	145	161.7 Å²	161.7	78%	0.775	86%	0.862	S	S	*	*			trans	-76.6	167.5	-171.3	-49.5	-93.2	0	0	0	113.9
1140	L	26.7	Very low	28	Very low	179 Å²	179	162.6 Å²	162.6	94%	0.937	87%	0.874	S	S	*	*			trans	-124.2	137.9	163.3	-97.1	170.1	0	0	0	110.8
1141	V	25.7	Very low	27.9	Very low	125 Å²	125	163.2 Å²	163.2	76%	0.758	89%	0.886	S	S	*	*			trans	-107.5	147.3	-176.7	171.5	0	0	0	0	109.9
1142	Y	25.9	Very low	27.7	Very low	214 Å²	214	168.3 Å²	168.3	84%	0.839	89%	0.889	S	S	*	*			trans	-6.7	127.2	167	-82.4	-93.9	0	0	0	119
1143	V	30.5	Very low	27.7	Very low	210 Å²	210	176.1 Å²	176.1	100%	1.273	89%	0.892	S	S	*	*				-127.7	0	123.9	-179.1	0	0	0	0	107.5

Retrieved 1,143 of 1,143 residues in 262.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).