A0A3Q0KIQ0_SCHMA Loading...

DNA polymerase

AlphaFold DB , UniProt , Accession A0A3Q0KIQ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,259 aa.

						>A0A3Q0KIQ0_SCHMA|A0A3Q0KIQ0
MSNKRPSFVPQKGPGSFKKPRGNHDDAPEPSKFEQELMLLDDIETEDIALVDESSALSHLDVQTNSHWPRRKLEKLDPNKDVMLCCLNTPLQGFPFFGFEGAQLELRKTWAAMSNKRPSFVPQKGPGSFKKPRGNHDDAPEPSKFEQELMLLDDIETEDIALVDESSALSHLDVQTNSHWPRRKLEKLDPNKDGITFQQFDVSHYKGEHLPGMPGATQSPVPIIRLFGITEKGHSVCAHVHGFLPYFYVPAPKDFSTDHLSAFREALNSMLLKEKSKEFEGLQHLVLRVTCEEKQNIYGFHGNRSLPFLRITLALPRLIAPAKRILDNGLSFADYSLQSYPAFEANIDFEIRFMTDTQMTGCSWVEAPTQKYHLRDSTQKLDDMKKAINQKSNHSVNSSTISTTNGCNGVNDQSTLLTNQTRCQIEFDIAWDALIVHSPEGQWSNIAPLRILSFDIECASRKGVFPVPDKDPVIQIANMVINYGETTPFIRNVFTLNTCAPIVGSQVISHQTEKELLAKWSAFVREVDPDIITGYNIQNFDLPYLINRANTLKVDGFEFLGRIRGARSTIREAMTQSKQMGRRENKFVNIDGRVQFDLLQILFRDYKLRSYTLNAVSYHFLEEQKEDVHHNVITDLQNGDAQTRRRLAVYCLKDAYLPLRLLDKLMCIVNNIEMARVTGVPLTYLLTRGQQVKVVSQLLRKAHEHGYLLPTYQSQQGDEFVGATVLEPRKGFYNEPIATLDFASLYPSIMMAHNLCYTTLLQVNTTPHGSTGGGIQALVQRYNLTDEDYIKTPTGAYFVKSHICHGILPEILQQLLSARKKAKAELAKETDPLRKRVLDGRQLALKISANSVYGFTGAQVGKLPCLEISASVTSFGRLMIEQTKLHVEKKFTIANGYKHDAVVIYGDTDSVMCKFGVSTVTEAMELGRQAAEIISEEFPKPIRLEFEKVYCPYLLINKKRYAGLYFTKPDRHDKMDCKGIETVRRDNSPLVANLINACLERILIDRDPNAAISYAQSVISDLLCNRIDISQLVISKELTKTDEEYTGKQAHVELAAKMRKRDPGSAPNLGDRVPYVITAVGGKNTAAYAKAEDPLYVLEHNVPIDTKYYLENQLANPLLRIFEPILGEVKAKSVLLNGEHTRVKAVVHSTVGQLSAFTKVRASCIGCRTLLPADKTDSALCKYCESRASEIYQKEIVQLNLLEKKFTSLWTECQRCQQSIHEEVICTSRDCPIFYMRMKSRKDVDEAYKTIQRFGNPNW
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.5	Very low	27.8	Very low	247 Å²	247	160 Å²	160	100%	1.217	82%	0.824	S	S	*	*				0	143	0	-81	176.2	169.7	0	0	108.6
2	S	27.1	Very low	27.2	Very low	93 Å²	93	164 Å²	164	65%	0.65	83%	0.831	S	S	*	*			trans	-52	143.7	-171.1	48.4	0	0	0	0	116.4
3	N	32.1	Very low	26.8	Very low	148 Å²	148	156.9 Å²	156.9	79%	0.791	82%	0.824	S	S	*	*				-177.6	90.5	115	-86.4	-14.4	0	0	0	108.2
4	K	28.6	Very low	27	Very low	202 Å²	202	155.6 Å²	155.6	88%	0.878	83%	0.829	S	S	*	*				59.2	118.1	94	-81.2	-169	177.7	-179.9	0	114.8
5	R	21.4	Very low	26.8	Very low	222 Å²	222	149.5 Å²	149.5	84%	0.838	82%	0.818	S	S	*	*			trans	-49.9	165.1	172.2	-64.3	174.6	174.6	-174.2	-2	114.2
6	P	27.7	Very low	26.4	Very low	133 Å²	133	147.3 Å²	147.3	86%	0.864	82%	0.817	S	S	*	*				-123.1	140	101.8	35.4	-29.9	0	0	0	113.1
7	S	22.2	Very low	26.3	Very low	77 Å²	77	150.6 Å²	150.6	54%	0.538	82%	0.821	S	S	.	*			trans	-87.4	142.5	171.1	44.4	0	0	0	0	110.7
8	F	25.4	Very low	26	Very low	208 Å²	208	153.1 Å²	153.1	91%	0.912	82%	0.823	S	S	*	*			trans	-163.8	137.4	138.7	-107.9	-79.4	0	0	0	110.2
9	V	24.1	Very low	25.9	Very low	126 Å²	126	155.4 Å²	155.4	76%	0.764	82%	0.824	S	S	*	*			trans	-132.3	169.5	-176.5	-178.6	0	0	0	0	104.8
10	P	40	Very low	25.8	Very low	104 Å²	104	153.8 Å²	153.8	68%	0.675	82%	0.823	S	S	*	*			cis	-122.3	173.9	-48.4	36.9	-22	0	0	0	112.3
11	Q	23.8	Very low	25.5	Very low	200 Å²	200	158.7 Å²	158.7	94%	0.935	83%	0.83	S	S	*	*			trans	-130.6	120.8	145.3	-82.9	-167.9	-9.3	0	0	111.1
12	K	20.2	Very low	25.1	Very low	208 Å²	208	150.3 Å²	150.3	90%	0.904	81%	0.807	S	S	*	*			trans	-82.5	137.7	167.8	-72.2	176.3	172.8	177.6	0	108.7
13	G	22.2	Very low	25	Very low	72 Å²	72	152.7 Å²	152.7	74%	0.742	81%	0.813	S	S	*	*			trans	-177.8	142.3	164.2	0	0	0	0	0	111.3
14	P	29.9	Very low	24.7	Very low	139 Å²	139	153.4 Å²	153.4	90%	0.903	81%	0.811	S	S	*	*				-113.3	161.5	-128.6	38	-29.2	0	0	0	114.6
15	G	23.1	Very low	24.8	Very low	64 Å²	64	151.6 Å²	151.6	66%	0.66	81%	0.811	S	S	*	*			trans	155	57.6	164	0	0	0	0	0	115.9	F17	G15-F17 PolarHBondContact O-N 3.32Å
16	S	21.7	Very low	25	Very low	114 Å²	114	148 Å²	148	80%	0.797	81%	0.808	S	S	*	*			trans	-68.3	93.8	166.5	58.9	0	0	0	0	110	K18	S16-K18 PolarHBondContact O-N 3.46Å; S16-K18 VanDerWaalsContact O-N 3.07Å
17	F	24.3	Very low	25.1	Very low	204 Å²	204	145.6 Å²	145.6	90%	0.895	80%	0.8	S	S	*	*			trans	-70.1	99.3	164	-94.1	-89.7	0	0	0	108.6	G15 K19	G15-F17 PolarHBondContact O-N 3.32Å; F17-K19 PolarHBondContact O-N 2.86Å; F17-K19 VanDerWaalsContact O-N 3.1Å
18	K	21.5	Very low	25.3	Very low	194 Å²	194	147.9 Å²	147.9	84%	0.843	81%	0.813	S	S	*	*			trans	-58.2	109.8	165.5	-75.8	179.5	175.9	175.9	0	108	S16	S16-K18 PolarHBondContact O-N 3.46Å; S16-K18 VanDerWaalsContact O-N 3.07Å
19	K	23.9	Very low	25.3	Very low	197 Å²	197	145.7 Å²	145.7	86%	0.857	81%	0.805	S	S	*	*			trans	-57.7	129.1	167.1	-80.1	-175.9	174.9	-178.1	0	108.9	F17	F17-K19 PolarHBondContact O-N 2.86Å; F17-K19 VanDerWaalsContact O-N 3.1Å
20	P	23.2	Very low	25.5	Very low	123 Å²	123	142.4 Å²	142.4	80%	0.799	79%	0.787	S	S	*	*			trans	-67.8	136.8	178.2	27	-30.9	0	0	0	109.9	G22	P20-G22 VanDerWaalsContact C-N 3.3Å; P20-G22 PolarHBondContact O-N 3.16Å
21	R	20.2	Very low	25	Very low	257 Å²	257	139.6 Å²	139.6	97%	0.97	77%	0.77	S	S	*	*			trans	-66.5	88.4	168.6	-73.9	179.1	173.4	179.1	-3.2	108.4
22	G	24.8	Very low	25.4	Very low	71 Å²	71	135.3 Å²	135.3	73%	0.732	75%	0.748	S	S	*	*			trans	-82.9	116	164.3	0	0	0	0	0	109	P20	P20-G22 VanDerWaalsContact C-N 3.3Å; P20-G22 PolarHBondContact O-N 3.16Å
23	N	23.9	Very low	26.2	Very low	144 Å²	144	127.2 Å²	127.2	77%	0.77	71%	0.712	S	S	*	*			trans	-60.8	154.4	155.8	-80.4	-21.7	0	0	0	108.8
24	H	26.4	Very low	26.8	Very low	163 Å²	163	127.5 Å²	127.5	76%	0.755	70%	0.695	S	S	*	*			trans	112.7	124.1	162.4	-63.1	-71.9	0	0	0	117	D26	H24-D26 PolarHBondContact O-N 3.27Å
25	D	30.5	Very low	27	Very low	163 Å²	163	123.9 Å²	123.9	87%	0.872	67%	0.666	S	S	*	*			trans	-64.7	52.3	177.6	-63.8	-60	0	0	0	113.7
26	D	25.4	Very low	27.7	Very low	147 Å²	147	121.8 Å²	121.8	79%	0.786	64%	0.639	S	S	*	*			trans	-91.1	111.8	167	-71.9	-35.3	0	0	0	108.7	H24	H24-D26 PolarHBondContact O-N 3.27Å
27	A	31	Very low	28.2	Very low	83 Å²	83	119.2 Å²	119.2	69%	0.686	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-53	142.1	170.8	0	0	0	0	0	109.6	E29	A27-E29 PolarHBondContact O-N 3Å
28	P	26.5	Very low	28.5	Very low	125 Å²	125	113.9 Å²	113.9	81%	0.812	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-57	128.3	-174.9	21.3	-31.2	0	0	0	110.7
29	E	25.5	Very low	29.1	Very low	161 Å²	161	107.5 Å²	107.5	75%	0.752	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-56.1	136.1	170.4	-73.4	-170.8	152.7	0	0	109.2	A27 S31	A27-E29 PolarHBondContact O-N 3Å; E29-S31 PolarHBondContact O-N 3.4Å
30	P	27.3	Very low	29.5	Very low	58 Å²	58	101.1 Å²	101.1	38%	0.377	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-58.1	140.1	171.6	-17.2	28.3	0	0	0	110.1	E34 Q35	P30-E34 VanDerWaalsContact CA-OE2 3.25Å; P30-E34 WeakPolarHBondContact CA-OE2 3.2Å; P30-E34 HydrophobicContact CB-CB 3.57Å; P30-Q35 HydrophobicContact CB-CG 4.42Å; P30-Q35 PolarHBondContact O-NE2 2.97Å
31	S	29.1	Very low	29.6	Very low	45 Å²	45	98.1 Å²	98.1	32%	0.315	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-51.4	156.5	173.4	63.8	0	0	0	0	112	E29 F33 E34 Q35	E29-S31 PolarHBondContact O-N 3.4Å; S31-F33 PolarHBondContact O-N 3.33Å; S31-F33 VanDerWaalsContact O-N 3.09Å; S31-E34 WeakPolarHBondContact CB-OE2 3.15Å; S31-E34 PolarHBondContact N-OE2 2.92Å; S31-E34 WeakPolarHBondContact O-CA 3.31Å; S31-E34 WeakPolarHBondContact O-CB 3.3Å; S31-E34 PolarHBondContact O-N 3.37Å; S31-E34 WeakPolarHBondContact OG-CG 3.43Å; S31-E34 PolarHBondContact OG-N 3.07Å; S31-E34 PolarHBondContact OG-OE2 3.4Å; S31-Q35 PolarHBondContact O-N 2.99Å
32	K	33.7	Very low	29.8	Very low	110 Å²	110	90.4 Å²	90.4	48%	0.478	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-30.8	-174.7	-142.2	176.9	179.9	-166.7	0	113.2	A723	K32-A723 PolarHBondContact NZ-O 2.79Å
33	F	36.8	Very low	29.9	Very low	37 Å²	37	90.4 Å²	90.4	16%	0.162	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-36.2	172.5	179.6	-111.1	0	0	0	113.2	S31 Q35 E36 L37 F720	S31-F33 PolarHBondContact O-N 3.33Å; S31-F33 VanDerWaalsContact O-N 3.09Å; F33-Q35 PolarHBondContact O-N 3.43Å; F33-E36 PolarHBondContact O-N 3.41Å; F33-E36 VanDerWaalsContact O-N 3.13Å; F33-L37 HydrophobicContact CD1-CD1 4.36Å; F33-L37 HydrophobicContact CE1-CD1 3.59Å; F33-L37 HydrophobicContact CE2-CD1 4.12Å; F33-L37 HydrophobicContact CZ-CD1 3.45Å; F33-L37 VanDerWaalsContact CZ-CD1 3.45Å; F33-L37 PolarHBondContact O-N 3Å; F33-L37 VanDerWaalsContact O-N 3.16Å; F33-F720 HydrophobicContact CD2-CE1 4.47Å; F33-F720 HydrophobicContact CD2-CZ 4.44Å; F33-F720 HydrophobicContact CE2-CE1 4.43Å; F33-F720 HydrophobicContact CE2-CZ 4.48Å
34	E	34.9	Very low	30	Very low	79 Å²	79	87.3 Å²	87.3	37%	0.369	46%	0.463	S	S	.	.	H	α-helix	trans	-63.3	-30.9	173.4	-72.3	165.8	156.4	0	0	111.9	P30 S31 M38	P30-E34 VanDerWaalsContact CA-OE2 3.25Å; P30-E34 WeakPolarHBondContact CA-OE2 3.2Å; P30-E34 HydrophobicContact CB-CB 3.57Å; S31-E34 WeakPolarHBondContact CB-OE2 3.15Å; S31-E34 PolarHBondContact N-OE2 2.92Å; S31-E34 WeakPolarHBondContact O-CA 3.31Å; S31-E34 WeakPolarHBondContact O-CB 3.3Å; S31-E34 PolarHBondContact O-N 3.37Å; S31-E34 WeakPolarHBondContact OG-CG 3.43Å; S31-E34 PolarHBondContact OG-N 3.07Å; S31-E34 PolarHBondContact OG-OE2 3.4Å; E34-M38 VanDerWaalsContact O-CG 3.27Å; E34-M38 WeakPolarHBondContact O-CG 3.38Å; E34-M38 PolarHBondContact O-N 2.82Å
35	Q	33.2	Very low	29.9	Very low	63 Å²	63	83.1 Å²	83.1	29%	0.294	45%	0.449	S	S	.	.	H	α-helix	trans	-72.2	-25.8	173.7	-61.6	177.4	20.5	0	0	113.5	P30 S31 F33	P30-Q35 HydrophobicContact CB-CG 4.42Å; P30-Q35 PolarHBondContact O-NE2 2.97Å; S31-Q35 PolarHBondContact O-N 2.99Å; F33-Q35 PolarHBondContact O-N 3.43Å
36	E	37.8	Very low	29.7	Very low	19 Å²	19	80.2 Å²	80.2	9%	0.089	43%	0.43	C	S	.	.	H	α-helix	trans	-85.4	-36.4	-179.6	-77.1	-177.9	-168.8	0	0	113.3	F33 M38 L39 L40 G722 A723 Y853	F33-E36 PolarHBondContact O-N 3.41Å; F33-E36 VanDerWaalsContact O-N 3.13Å; E36-M38 PolarHBondContact O-N 3.04Å; E36-L39 WeakPolarHBondContact O-CB 3.38Å; E36-L39 PolarHBondContact O-N 2.89Å; E36-L40 PolarHBondContact O-N 3.14Å; E36-G722 VanDerWaalsContact OE1-C 3.28Å; E36-G722 WeakPolarHBondContact OE1-CA 3.38Å; E36-A723 PolarHBondContact OE1-N 3.04Å; E36-Y853 PolarHBondContact OE2-OH 3.2Å
37	L	31.9	Very low	29.6	Very low	61 Å²	61	78.5 Å²	78.5	32%	0.319	42%	0.421	S	S	.	.	H	α-helix	trans	-64.2	-33	170.9	-114.4	131.2	0	0	0	111.1	F33 L39 L40 K578	F33-L37 HydrophobicContact CD1-CD1 4.36Å; F33-L37 HydrophobicContact CE1-CD1 3.59Å; F33-L37 HydrophobicContact CE2-CD1 4.12Å; F33-L37 HydrophobicContact CZ-CD1 3.45Å; F33-L37 VanDerWaalsContact CZ-CD1 3.45Å; F33-L37 PolarHBondContact O-N 3Å; F33-L37 VanDerWaalsContact O-N 3.16Å; L37-L39 VanDerWaalsContact C-N 3.27Å; L37-L39 PolarHBondContact O-N 3.46Å; L37-L40 PolarHBondContact O-N 3Å; L37-K578 HydrophobicContact CD1-CD 4.4Å
38	M	31.1	Very low	29.3	Very low	91 Å²	91	77.5 Å²	77.5	45%	0.448	40%	0.403	S	S	.	.	H	α-helix	trans	-64.4	-29	171.6	-72.8	-179.4	124.5	0	0	113.1	E34 E36 D41 D42	E34-M38 VanDerWaalsContact O-CG 3.27Å; E34-M38 WeakPolarHBondContact O-CG 3.38Å; E34-M38 PolarHBondContact O-N 2.82Å; E36-M38 PolarHBondContact O-N 3.04Å; M38-D41 PolarHBondContact O-N 3.13Å; M38-D42 WeakPolarHBondContact O-CB 3.3Å; M38-D42 PolarHBondContact O-N 2.77Å
39	L	33.6	Very low	29.1	Very low	61 Å²	61	74.9 Å²	74.9	32%	0.319	39%	0.392	S	S	.	.	H	α-helix	trans	-77	-29.8	177.9	-76.8	166.9	0	0	0	113.1	E36 L37 D41 D42 I43	E36-L39 WeakPolarHBondContact O-CB 3.38Å; E36-L39 PolarHBondContact O-N 2.89Å; L37-L39 VanDerWaalsContact C-N 3.27Å; L37-L39 PolarHBondContact O-N 3.46Å; L39-D41 PolarHBondContact O-N 3.12Å; L39-D42 PolarHBondContact O-N 2.83Å; L39-I43 VanDerWaalsContact O-CG1 3.29Å; L39-I43 WeakPolarHBondContact O-CG1 3.17Å; L39-I43 PolarHBondContact O-N 3.06Å
40	L	32.1	Very low	29	Very low	63 Å²	63	74.7 Å²	74.7	33%	0.33	40%	0.396	S	S	.	.	H	α-helix	trans	-63.9	-25.8	171.2	-72.2	171.5	0	0	0	112	E36 L37 N850	E36-L40 PolarHBondContact O-N 3.14Å; L37-L40 PolarHBondContact O-N 3Å; L40-N850 HydrophobicContact CD2-CB 3.79Å
41	D	26.6	Very low	28.8	Very low	59 Å²	59	78.4 Å²	78.4	32%	0.316	42%	0.417	S	S	.	.	H	α-helix	trans	-94.5	-22.4	175.6	-68.1	-22.6	0	0	0	113.5	M38 L39	M38-D41 PolarHBondContact O-N 3.13Å; L39-D41 PolarHBondContact O-N 3.12Å
42	D	24	Very low	28.6	Very low	95 Å²	95	82.2 Å²	82.2	51%	0.508	43%	0.434	S	S	.	.	H	α-helix	trans	-88.7	0.1	179.1	-71	-13.6	0	0	0	113.2	M38 L39 E44 K607	M38-D42 WeakPolarHBondContact O-CB 3.3Å; M38-D42 PolarHBondContact O-N 2.77Å; L39-D42 PolarHBondContact O-N 2.83Å; D42-E44 PolarHBondContact O-N 3.31Å; D42-K607 IonicContact OD1-NZ 3.04Å; D42-K607 PolarHBondContact OD1-NZ 3.26Å; D42-K607 IonicContact OD2-NZ 3.96Å
43	I	25.9	Very low	28.1	Very low	71 Å²	71	85.5 Å²	85.5	36%	0.364	45%	0.451	S	S	.	.	S	Bend	trans	-71.7	84.2	168.7	-68.1	161.8	0	0	0	109	L39 K846	L39-I43 VanDerWaalsContact O-CG1 3.29Å; L39-I43 WeakPolarHBondContact O-CG1 3.17Å; L39-I43 PolarHBondContact O-N 3.06Å; I43-K846 HydrophobicContact CG2-CD 4.42Å
44	E	26.5	Very low	27.6	Very low	80 Å²	80	88.3 Å²	88.3	37%	0.374	48%	0.475	S	S	.	.			trans	60.6	79.1	154.5	-65	165.6	164.3	0	0	117	D42 E46 K846	D42-E44 PolarHBondContact O-N 3.31Å; E44-E46 VanDerWaalsContact C-N 3.3Å; E44-K846 IonicContact OE2-NZ 2.96Å; E44-K846 PolarHBondContact OE2-NZ 3.41Å
45	T	25.2	Very low	27.2	Very low	75 Å²	75	90.3 Å²	90.3	46%	0.46	50%	0.498	S	S	.	.	S	Bend	trans	-83.8	-3.5	147.6	46.7	0	0	0	0	112.8	Y606	T45-Y606 HydrophobicContact CG2-CD1 4.36Å; T45-Y606 HydrophobicContact CG2-CE1 4.13Å
46	E	25	Very low	26.7	Very low	101 Å²	101	91.1 Å²	91.1	47%	0.472	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-81	-19.8	178.2	-77.8	-171.2	-178.8	0	0	114.1	E44 I48 K974	E44-E46 VanDerWaalsContact C-N 3.3Å; E46-I48 PolarHBondContact O-N 3.47Å; E46-K974 IonicContact OE2-NZ 3.62Å; E46-K974 PolarHBondContact OE2-NZ 3.18Å
47	D	23.5	Very low	26.1	Very low	112 Å²	112	97.4 Å²	97.4	60%	0.599	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-79.6	-0.1	174.7	-79.2	-3.3	0	0	0	113.1	A49	D47-A49 VanDerWaalsContact C-N 3.34Å
48	I	24.3	Very low	25.7	Very low	61 Å²	61	99.4 Å²	99.4	31%	0.313	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-85.3	-10.1	175.3	-60.5	176.7	0	0	0	111.6	E46	E46-I48 PolarHBondContact O-N 3.47Å
49	A	23.4	Very low	25.3	Very low	70 Å²	70	103.7 Å²	103.7	58%	0.579	59%	0.586	S	S	*	*	S	Bend	trans	-108.5	117.8	169.7	0	0	0	0	0	109.3	D47	D47-A49 VanDerWaalsContact C-N 3.34Å
50	L	22.3	Very low	24.8	Very low	157 Å²	157	108.3 Å²	108.3	82%	0.822	61%	0.61	S	S	*	*			trans	90	64.5	171.9	-46.4	167.1	0	0	0	116	D52	L50-D52 PolarHBondContact O-N 2.83Å
51	V	23.2	Very low	24.2	Very low	136 Å²	136	113.2 Å²	113.2	82%	0.824	64%	0.637	S	S	*	*			trans	-79.1	93.7	134.8	-178.5	0	0	0	0	105.6	E53	V51-E53 PolarHBondContact O-N 3.33Å
52	D	24.7	Very low	24.1	Very low	125 Å²	125	116 Å²	116	67%	0.668	66%	0.656	S	S	*	*			trans	-56.7	122.2	173.3	-147.5	-3.3	0	0	0	108.2	L50 S54	L50-D52 PolarHBondContact O-N 2.83Å; D52-S54 PolarHBondContact O-N 3.26Å
53	E	23.4	Very low	23.9	Very low	179 Å²	179	120.8 Å²	120.8	84%	0.836	68%	0.675	S	S	*	*			trans	-69	71.4	172.2	-73.2	-178	154.6	0	0	109.2	V51	V51-E53 PolarHBondContact O-N 3.33Å
54	S	26.4	Very low	24	Very low	97 Å²	97	123.6 Å²	123.6	68%	0.678	70%	0.696	S	S	*	*			trans	-117.9	58.4	174.9	76.6	0	0	0	0	111.1	D52	D52-S54 PolarHBondContact O-N 3.26Å
55	S	26.4	Very low	23.8	Very low	120 Å²	120	127.7 Å²	127.7	84%	0.839	72%	0.72	S	S	*	*	S	Bend	trans	-168.2	11.6	155	69.6	0	0	0	0	116.9
56	A	24	Very low	23.9	Very low	80 Å²	80	128.6 Å²	128.6	66%	0.661	73%	0.73	S	S	*	*	S	Bend	trans	-142.6	48.3	-174	0	0	0	0	0	114.9
57	L	24.4	Very low	23.9	Very low	152 Å²	152	133 Å²	133	80%	0.796	75%	0.75	S	S	*	*			trans	-144.5	69.7	164.1	-77.3	176.9	0	0	0	110.4
58	S	23.2	Very low	23.8	Very low	103 Å²	103	138.9 Å²	138.9	72%	0.72	76%	0.764	S	S	*	*	S	Bend	trans	-101.6	119.6	152	58.7	0	0	0	0	107.2
59	H	23.8	Very low	23.8	Very low	180 Å²	180	140.8 Å²	140.8	83%	0.833	78%	0.78	S	S	*	*	S	Bend	trans	81	84.6	177.8	-53.5	-78	0	0	0	116.7
60	L	23.1	Very low	23.7	Very low	158 Å²	158	149.3 Å²	149.3	83%	0.827	80%	0.798	S	S	*	*			trans	-163.6	100.1	139.3	-103	147.1	0	0	0	108.7	V62	L60-V62 PolarHBondContact O-N 3.1Å
61	D	19.8	Very low	23.7	Very low	166 Å²	166	152.8 Å²	152.8	89%	0.888	80%	0.8	S	S	*	*			trans	-67.6	102	171.7	-84.3	-46.9	0	0	0	109.7
62	V	24.4	Very low	23.8	Very low	117 Å²	117	154.9 Å²	154.9	71%	0.709	80%	0.798	S	S	*	*			trans	-125.6	105.7	156.7	-179	0	0	0	0	108	L60 T64	L60-V62 PolarHBondContact O-N 3.1Å; V62-T64 PolarHBondContact O-N 2.94Å
63	Q	20.1	Very low	23.8	Very low	196 Å²	196	157.6 Å²	157.6	92%	0.916	81%	0.811	S	S	*	*			trans	-59.9	102.6	175.4	-70.1	177.4	-16.3	0	0	110.6
64	T	26.9	Very low	23.9	Very low	130 Å²	130	157.2 Å²	157.2	80%	0.798	81%	0.81	S	S	*	*			trans	-117.2	106.3	155.9	51.1	0	0	0	0	109.7	V62 S66	V62-T64 PolarHBondContact O-N 2.94Å; T64-S66 PolarHBondContact O-N 2.74Å
65	N	22.7	Very low	23.8	Very low	166 Å²	166	160.3 Å²	160.3	89%	0.888	81%	0.811	S	S	*	*			trans	-66.5	111.7	166.8	-91.1	-37.2	0	0	0	109.5
66	S	26.9	Very low	23.8	Very low	94 Å²	94	162.8 Å²	162.8	66%	0.657	81%	0.813	S	S	*	*				174.8	117.2	124.8	44.5	0	0	0	0	110.5	T64 W68	T64-S66 PolarHBondContact O-N 2.74Å; S66-W68 PolarHBondContact O-N 3.04Å
67	H	24.4	Very low	23.9	Very low	193 Å²	193	163.9 Å²	163.9	89%	0.894	81%	0.808	S	S	*	*			trans	-55.6	120.4	170.1	-86.1	38	0	0	0	110.9	P69	H67-P69 WeakPolarHBondContact O-CD 3.24Å
68	W	22.5	Very low	24.3	Very low	236 Å²	236	161.3 Å²	161.3	89%	0.894	80%	0.801	S	S	*	*			trans	-94.6	108.7	163.1	-78.9	83.9	0	0	0	109.4	S66	S66-W68 PolarHBondContact O-N 3.04Å
69	P	23.6	Very low	24.3	Very low	101 Å²	101	162.7 Å²	162.7	66%	0.656	80%	0.8	S	S	*	*			trans	-77.7	125.4	162	12.2	2.3	0	0	0	108.5	H67 R71	H67-P69 WeakPolarHBondContact O-CD 3.24Å; P69-R71 PolarHBondContact O-N 3.07Å
70	R	22	Very low	24.5	Very low	250 Å²	250	162.7 Å²	162.7	94%	0.943	80%	0.798	S	S	*	*			trans	-54.1	85.2	163.1	-74.6	178.5	172.7	178.6	-2.6	109.5	K72	R70-K72 VanDerWaalsContact C-N 3.27Å; R70-K72 PolarHBondContact O-N 3.47Å
71	R	22.4	Very low	24.6	Very low	229 Å²	229	162.8 Å²	162.8	86%	0.864	80%	0.799	S	S	*	*			trans	-74.4	91.5	161.3	-79.6	-170.1	-178.3	-170.8	1.3	107	P69 L73	P69-R71 PolarHBondContact O-N 3.07Å; R71-L73 PolarHBondContact O-N 2.94Å
72	K	24.8	Very low	24.7	Very low	181 Å²	181	162 Å²	162	79%	0.787	80%	0.8	S	S	*	*			trans	-42.8	136.6	147.4	-78.1	-178.8	173.1	-176.4	0	106.6	R70 E74	R70-K72 VanDerWaalsContact C-N 3.27Å; R70-K72 PolarHBondContact O-N 3.47Å; K72-E74 PolarHBondContact O-N 3.33Å
73	L	25.1	Very low	24.5	Very low	182 Å²	182	164.2 Å²	164.2	95%	0.953	80%	0.804	S	S	*	*			trans	-53.4	87.5	162.8	-88.9	145	0	0	0	107.7	R71 K75	R71-L73 PolarHBondContact O-N 2.94Å; L73-K75 PolarHBondContact O-N 2.94Å
74	E	24.4	Very low	24.5	Very low	171 Å²	171	163 Å²	163	80%	0.799	80%	0.804	S	S	*	*			trans	-63	117.4	170	-84.7	-178.8	155.6	0	0	106.4	K72 L76	K72-E74 PolarHBondContact O-N 3.33Å; E74-L76 PolarHBondContact O-N 3.03Å; E74-L76 VanDerWaalsContact O-N 3.08Å
75	K	25.8	Very low	24.1	Very low	162 Å²	162	161.7 Å²	161.7	70%	0.704	80%	0.798	S	S	*	*			trans	-11	104.9	155.2	-63.4	170.5	-179.8	172.9	0	111.5	L73 D77	L73-K75 PolarHBondContact O-N 2.94Å; K75-D77 PolarHBondContact O-N 2.8Å
76	L	25.9	Very low	23.9	Very low	171 Å²	171	159.5 Å²	159.5	90%	0.895	79%	0.794	S	S	*	*			trans	-59.9	92.6	149.1	-80.7	158.9	0	0	0	105.6	E74 P78	E74-L76 PolarHBondContact O-N 3.03Å; E74-L76 VanDerWaalsContact O-N 3.08Å; L76-P78 WeakPolarHBondContact O-CD 3.1Å
77	D	26.7	Very low	23.8	Very low	104 Å²	104	163.4 Å²	163.4	56%	0.556	81%	0.807	S	S	*	*			trans	-69.5	113.3	175.9	-174.7	-3.1	0	0	0	108.8	K75 N79	K75-D77 PolarHBondContact O-N 2.8Å; D77-N79 VanDerWaalsContact C-N 3.27Å; D77-N79 PolarHBondContact O-N 2.83Å; D77-N79 PolarHBondContact OD1-N 2.9Å
78	P	32.3	Very low	23.5	Very low	98 Å²	98	161.2 Å²	161.2	64%	0.636	80%	0.802	S	S	*	*			trans	-82.9	1.1	178.5	-6.9	26.9	0	0	0	113.3	L76	L76-P78 WeakPolarHBondContact O-CD 3.1Å
79	N	24	Very low	23.5	Very low	131 Å²	131	156.6 Å²	156.6	70%	0.701	80%	0.8	S	S	*	*			trans	-115.3	68.5	-174	-72.8	-18.1	0	0	0	112.6	D77	D77-N79 VanDerWaalsContact C-N 3.27Å; D77-N79 PolarHBondContact O-N 2.83Å; D77-N79 PolarHBondContact OD1-N 2.9Å
80	K	26.8	Very low	24.1	Very low	181 Å²	181	157.3 Å²	157.3	79%	0.787	81%	0.805	S	S	*	*			trans	-122.1	93.1	152.2	-80.7	-170.2	178.4	179.2	0	110	V82	K80-V82 PolarHBondContact O-N 3.18Å
81	D	24.4	Very low	24.2	Very low	160 Å²	160	152.8 Å²	152.8	86%	0.856	80%	0.798	S	S	*	*			trans	-49.5	114.5	156.8	-76.1	-46.5	0	0	0	109.4	M83	D81-M83 VanDerWaalsContact C-N 3.31Å; D81-M83 PolarHBondContact O-N 2.78Å; D81-M83 VanDerWaalsContact O-N 3.09Å
82	V	23.3	Very low	24.1	Very low	150 Å²	150	151 Å²	151	91%	0.909	80%	0.8	S	S	*	*			trans	-76.3	90.5	165.9	178.2	0	0	0	0	106.5	K80	K80-V82 PolarHBondContact O-N 3.18Å
83	M	18.9	Very low	23.9	Very low	162 Å²	162	145.5 Å²	145.5	80%	0.798	80%	0.795	S	S	*	*			trans	-133.4	90.4	168.6	-122.8	-92.1	-137.9	0	0	107.1	D81	D81-M83 VanDerWaalsContact C-N 3.31Å; D81-M83 PolarHBondContact O-N 2.78Å; D81-M83 VanDerWaalsContact O-N 3.09Å
84	L	21.2	Very low	23.7	Very low	172 Å²	172	146.4 Å²	146.4	90%	0.901	79%	0.791	S	S	*	*			trans	-154.3	108.9	142.5	-128.1	109.8	0	0	0	109.3
85	C	18.5	Very low	24	Very low	101 Å²	101	142.5 Å²	142.5	68%	0.682	78%	0.781	S	S	*	*			trans	-60.8	151.6	164.9	-65.6	0	0	0	0	111.3
86	C	19	Very low	23.8	Very low	120 Å²	120	142.9 Å²	142.9	81%	0.811	78%	0.783	S	S	*	*			trans	36.8	114	139.9	-57.9	0	0	0	0	118.2
87	L	23	Very low	23.6	Very low	176 Å²	176	144 Å²	144	92%	0.921	78%	0.781	S	S	*	*			trans	-151.2	101.3	130.5	-98.1	171.9	0	0	0	109.7
88	N	18.9	Very low	23.3	Very low	148 Å²	148	142 Å²	142	79%	0.791	79%	0.785	S	S	*	*			trans	-70	145	152	-92.8	-30.3	0	0	0	109
89	T	22.2	Very low	22.8	Very low	139 Å²	139	147.6 Å²	147.6	85%	0.853	80%	0.8	S	S	*	*			trans	122.3	145.4	145.3	58.8	0	0	0	0	118.7
90	P	36.8	Very low	22.6	Very low	115 Å²	115	150.6 Å²	150.6	75%	0.747	81%	0.81	S	S	*	*			trans	-110.5	148.4	-159.4	38.8	-25.8	0	0	0	114
91	L	24.1	Very low	22.4	Very low	156 Å²	156	145.8 Å²	145.8	82%	0.817	81%	0.812	S	S	*	*			trans	-145	111.7	165.8	-76.8	166.5	0	0	0	106.8
92	Q	19.4	Very low	22.3	Very low	190 Å²	190	143.2 Å²	143.2	89%	0.888	81%	0.812	S	S	*	*				58.7	118.6	80	-76.3	-171.4	-20.9	0	0	114.6
93	G	21.1	Very low	22.2	Very low	67 Å²	67	145.3 Å²	145.3	69%	0.691	81%	0.812	S	S	*	*			trans	120.1	89.3	158.4	0	0	0	0	0	114.5
94	F	21.6	Very low	22.4	Very low	200 Å²	200	145.8 Å²	145.8	88%	0.877	82%	0.817	S	S	*	*				74.1	150.6	90.4	-95.8	-85.9	0	0	0	115.2
95	P	30	Very low	22.5	Very low	89 Å²	89	143 Å²	143	58%	0.578	80%	0.799	S	S	*	*				-123.5	176.7	-68.6	40.7	-26.4	0	0	0	110.5
96	F	20.8	Very low	22.8	Very low	171 Å²	171	145.6 Å²	145.6	75%	0.75	81%	0.806	S	S	*	*				170.9	137.9	125.9	-103.8	-76.1	0	0	0	112.6
97	F	22.4	Very low	23.1	Very low	194 Å²	194	151.6 Å²	151.6	85%	0.851	81%	0.811	S	S	*	*			trans	70.5	108.3	168.1	-74.2	-75.6	0	0	0	119
98	G	20.1	Very low	23.2	Very low	63 Å²	63	149.9 Å²	149.9	65%	0.649	80%	0.797	S	S	*	*			trans	-88	161.9	176.5	0	0	0	0	0	113.7
99	F	21.9	Very low	23.5	Very low	214 Å²	214	147.7 Å²	147.7	94%	0.939	79%	0.789	S	S	*	*			trans	-140.3	116.4	142.4	-106	-88.7	0	0	0	105.8
100	E	20.2	Very low	23.6	Very low	195 Å²	195	154 Å²	154	91%	0.911	80%	0.797	S	S	*	*			trans	-67	146.2	176.6	-70	175.9	134.4	0	0	111
101	G	22.1	Very low	23	Very low	80 Å²	80	152.8 Å²	152.8	83%	0.825	80%	0.796	S	S	*	*			trans	87.9	79.1	147.6	0	0	0	0	0	117.5
102	A	23.3	Very low	23	Very low	105 Å²	105	149.4 Å²	149.4	87%	0.868	79%	0.791	S	S	*	*			trans	-163.7	53.4	148.2	0	0	0	0	0	111.8
103	Q	20.9	Very low	23.2	Very low	195 Å²	195	149.9 Å²	149.9	91%	0.911	80%	0.796	S	S	*	*			trans	-86	132.5	152.3	-105.5	179.1	-18	0	0	107.2
104	L	23.4	Very low	23.4	Very low	171 Å²	171	151.2 Å²	151.2	90%	0.895	80%	0.795	S	S	*	*	S	Bend	trans	85.2	74.3	168.2	-141.8	82.1	0	0	0	116.9
105	E	23.7	Very low	23.5	Very low	113 Å²	113	149.3 Å²	149.3	53%	0.528	79%	0.793	S	S	.	*			trans	-177.3	39.8	140.4	-97.3	-73.4	-172.1	0	0	111.9	R107 K108	E105-R107 PolarHBondContact O-N 2.83Å; E105-K108 IonicContact OE1-NZ 3.65Å; E105-K108 PolarHBondContact OE1-NZ 3.38Å; E105-K108 WeakPolarHBondContact OE2-CD 3.48Å; E105-K108 IonicContact OE2-NZ 2.71Å
106	L	24.5	Very low	23.3	Very low	157 Å²	157	155.2 Å²	155.2	82%	0.822	81%	0.81	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	18.6	169.5	-93.1	161.2	0	0	0	112.9
107	R	24	Very low	23.4	Very low	246 Å²	246	158.7 Å²	158.7	93%	0.928	82%	0.818	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	8.9	168.4	-103	-174.3	177	177.9	-0.4	113.7	E105	E105-R107 PolarHBondContact O-N 2.83Å
108	K	26.5	Very low	23.6	Very low	140 Å²	140	155.4 Å²	155.4	61%	0.609	82%	0.817	S	S	*	*	S	Bend	trans	-128.7	3.4	-179.5	-75.3	-177.6	-172.6	142.9	0	117.7	E105	E105-K108 IonicContact OE1-NZ 3.65Å; E105-K108 PolarHBondContact OE1-NZ 3.38Å; E105-K108 WeakPolarHBondContact OE2-CD 3.48Å; E105-K108 IonicContact OE2-NZ 2.71Å
109	T	25.1	Very low	23.6	Very low	102 Å²	102	157.7 Å²	157.7	63%	0.626	82%	0.823	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	10.4	176.1	46	0	0	0	0	115
110	W	22.6	Very low	23.7	Very low	271 Å²	271	157.6 Å²	157.6	100%	1.027	82%	0.822	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	5.1	164.3	-112.3	31.8	0	0	0	113.9
111	A	24.4	Very low	24	Very low	89 Å²	89	154.3 Å²	154.3	74%	0.736	82%	0.815	S	S	*	*	S	Bend	trans	-111.8	15.6	-178.3	0	0	0	0	0	115.2
112	A	24.5	Very low	24.1	Very low	85 Å²	85	156 Å²	156	70%	0.702	81%	0.811	S	S	*	*	S	Bend	trans	-128.3	16.6	-175.4	0	0	0	0	0	116.1
113	M	23.9	Very low	24.2	Very low	200 Å²	200	160.3 Å²	160.3	99%	0.985	81%	0.814	S	S	*	*			trans	-108.2	20.2	175.1	-91.3	179	149.9	0	0	114.7
114	S	24.8	Very low	24.4	Very low	96 Å²	96	160.8 Å²	160.8	67%	0.671	81%	0.813	S	S	*	*			trans	-105	99.5	162.1	71.8	0	0	0	0	109.7
115	N	24.6	Very low	24.3	Very low	159 Å²	159	155.9 Å²	155.9	85%	0.85	80%	0.804	S	S	*	*			trans	179.8	96.2	149.1	-92.8	-18.8	0	0	0	109.1
116	K	25.2	Very low	24.4	Very low	214 Å²	214	156.9 Å²	156.9	93%	0.93	82%	0.82	S	S	*	*			trans	165.2	72.9	148.4	-90.9	168.6	-173.8	-172.7	0	108.1
117	R	23.3	Very low	24.5	Very low	243 Å²	243	152.7 Å²	152.7	92%	0.917	81%	0.814	S	S	*	*			trans	-108.3	131.5	153.5	-85.6	-170.3	177.2	-163.2	-0.8	107.4
118	P	25.4	Very low	24.7	Very low	126 Å²	126	145.9 Å²	145.9	82%	0.818	80%	0.804	S	S	*	*			trans	-71.6	139.2	-175	28.5	-31.2	0	0	0	110.7	F120	P118-F120 PolarHBondContact O-N 3.12Å
119	S	20.8	Very low	24.8	Very low	111 Å²	111	149 Å²	149	78%	0.776	82%	0.819	S	S	*	*			trans	-53.3	118.3	173.2	38.7	0	0	0	0	112.8
120	F	25.4	Very low	24.8	Very low	212 Å²	212	153 Å²	153	93%	0.93	83%	0.827	S	S	*	*			trans	-121.4	125.2	151.6	-132.9	-98	0	0	0	108.1	P118	P118-F120 PolarHBondContact O-N 3.12Å
121	V	24.8	Very low	25.1	Very low	126 Å²	126	149.4 Å²	149.4	76%	0.764	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-73.4	147.1	-170.3	172.2	0	0	0	0	110.1
122	P	25.2	Very low	25.3	Very low	115 Å²	115	151.1 Å²	151.1	75%	0.747	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-89.5	132.5	-158.8	33.2	-29.6	0	0	0	112.5
123	Q	26	Very low	25.2	Very low	195 Å²	195	159.4 Å²	159.4	91%	0.911	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-93.5	126.3	157.1	-79.3	-171.5	-12.9	0	0	109.6
124	K	23.6	Very low	25.3	Very low	206 Å²	206	153.1 Å²	153.1	90%	0.896	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-56.1	132	-177.8	-69.3	171.5	173.3	176.1	0	110.9
125	G	21.4	Very low	25.4	Very low	68 Å²	68	155.8 Å²	155.8	70%	0.701	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-74.9	172.9	175	0	0	0	0	0	114.2
126	P	26.4	Very low	25.5	Very low	133 Å²	133	156.7 Å²	156.7	86%	0.864	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-91	140.2	150.4	27.5	-13.7	0	0	0	110
127	G	27.2	Very low	25.9	Very low	69 Å²	69	153.5 Å²	153.5	71%	0.711	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-71.7	136.9	-167.9	0	0	0	0	0	115.5	F129	G127-F129 PolarHBondContact O-N 3.43Å
128	S	26.6	Very low	26.5	Very low	103 Å²	103	149 Å²	149	72%	0.72	82%	0.815	S	S	*	*			trans	31	86	134.1	170.8	0	0	0	0	116.8	K130	S128-K130 PolarHBondContact O-N 3.03Å
129	F	29.5	Very low	27.3	Very low	207 Å²	207	147.1 Å²	147.1	91%	0.908	81%	0.809	S	S	*	*			trans	-72.6	107.5	152	-101.6	-99.2	0	0	0	109.2	G127 K131	G127-F129 PolarHBondContact O-N 3.43Å; F129-K131 PolarHBondContact O-N 3.16Å
130	K	24.4	Very low	28.6	Very low	184 Å²	184	144.7 Å²	144.7	80%	0.8	79%	0.791	S	S	*	*			trans	-64.4	111.2	166.8	-76.6	179.9	176	175.7	0	108.1	S128	S128-K130 PolarHBondContact O-N 3.03Å
131	K	29.2	Very low	30	Very low	196 Å²	196	142.6 Å²	142.6	85%	0.852	78%	0.784	S	S	*	*			trans	-53	126.9	167.2	-74	-176.7	174.1	-175.8	0	109.4	F129 R133	F129-K131 PolarHBondContact O-N 3.16Å; K131-R133 PolarHBondContact O-N 3.24Å
132	P	28.1	Very low	31.5	Very low	125 Å²	125	138.7 Å²	138.7	81%	0.812	76%	0.761	S	S	*	*			trans	-69.8	127.1	169	28.3	-28.9	0	0	0	108.5	G134	P132-G134 PolarHBondContact O-N 2.88Å
133	R	23.3	Very low	33.2	Very low	259 Å²	259	134.1 Å²	134.1	98%	0.977	73%	0.732	S	S	*	*			trans	-65.7	107.4	167.3	-79.5	175.5	161.2	164.8	-6.3	107.9	K131	K131-R133 PolarHBondContact O-N 3.24Å
134	G	26	Very low	35.1	Very low	68 Å²	68	131.6 Å²	131.6	70%	0.701	72%	0.718	S	S	*	*			trans	-171.9	108.9	173	0	0	0	0	0	110.7	P132	P132-G134 PolarHBondContact O-N 2.88Å
135	N	27.6	Very low	37.5	Very low	152 Å²	152	122.2 Å²	122.2	81%	0.813	68%	0.677	S	S	*	*			trans	50.9	112.1	172.1	-71.1	0.5	0	0	0	118.8	D137	N135-D137 VanDerWaalsContact C-N 3.32Å; N135-D137 PolarHBondContact O-N 2.87Å
136	H	26.5	Very low	39.8	Very low	179 Å²	179	119.2 Å²	119.2	83%	0.829	65%	0.645	S	S	*	*			trans	-58.3	94.1	154.8	-76.8	-92.1	0	0	0	108.8
137	D	33.8	Very low	41.9	Very low	146 Å²	146	117.3 Å²	117.3	78%	0.781	63%	0.625	S	S	*	*			trans	-80.9	110.5	151.5	-76	-26.6	0	0	0	105.7	N135 A139	N135-D137 VanDerWaalsContact C-N 3.32Å; N135-D137 PolarHBondContact O-N 2.87Å; D137-A139 PolarHBondContact O-N 3.38Å
138	D	35	Very low	44.1	Very low	150 Å²	150	116.3 Å²	116.3	80%	0.802	60%	0.601	S	S	*	*			trans	-62	77.9	172.2	-69.4	-44.7	0	0	0	109.2	P140	D138-P140 WeakPolarHBondContact O-CD 3.35Å
139	A	43.2	Very low	46.3	Very low	85 Å²	85	111.4 Å²	111.4	70%	0.702	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-69	118	166.2	0	0	0	0	0	107.2	D137	D137-A139 PolarHBondContact O-N 3.38Å
140	P	48.1	Very low	48.2	Very low	60 Å²	60	105 Å²	105	39%	0.39	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-60.4	143.1	179.5	22.5	-30.5	0	0	0	110.5	D138	D138-P140 WeakPolarHBondContact O-CD 3.35Å
141	E	54.3	Low	50.2	Low	169 Å²	169	101.3 Å²	101.3	79%	0.79	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-55.9	142.6	175	-71.2	-174	161.9	0	0	110.8	S143	E141-S143 PolarHBondContact O-N 2.89Å
142	P	56.2	Low	51.9	Low	43 Å²	43	92.7 Å²	92.7	28%	0.279	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-62.8	134.2	179.7	25	-32.5	0	0	0	110.8	E146 Q147 M150	P142-E146 HydrophobicContact CB-CB 3.85Å; P142-Q147 HydrophobicContact CB-CG 4.39Å; P142-Q147 HydrophobicContact CG-CG 4.26Å; P142-Q147 PolarHBondContact O-NE2 2.81Å; P142-M150 HydrophobicContact CB-SD 4.02Å; P142-M150 HydrophobicContact CG-SD 3.97Å
143	S	61.6	Low	53.2	Low	19 Å²	19	89.5 Å²	89.5	13%	0.133	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-59.4	164.2	174.1	65.5	0	0	0	0	111.6	E141 F145 E146 Q147	E141-S143 PolarHBondContact O-N 2.89Å; S143-F145 VanDerWaalsContact C-N 3.28Å; S143-F145 PolarHBondContact O-N 3.33Å; S143-E146 PolarHBondContact N-OE2 3Å; S143-E146 CarbonylContact O-C 3.55Å; S143-E146 WeakPolarHBondContact O-CA 3.24Å; S143-E146 WeakPolarHBondContact O-CB 3.4Å; S143-E146 PolarHBondContact O-N 3.2Å; S143-E146 WeakPolarHBondContact OG-CB 3.35Å; S143-E146 VanDerWaalsContact OG-CG 3.23Å; S143-E146 WeakPolarHBondContact OG-CG 2.9Å; S143-E146 PolarHBondContact OG-N 3.42Å; S143-E146 VanDerWaalsContact OG-N 3.16Å; S143-E146 PolarHBondContact OG-OE2 3.29Å; S143-Q147 WeakPolarHBondContact O-CG 3.36Å; S143-Q147 PolarHBondContact O-N 3.29Å
144	K	64.7	Low	54.4	Low	143 Å²	143	82.3 Å²	82.3	62%	0.622	45%	0.45	S	S	*	.	H	α-helix	trans	-62.5	-34.9	177.1	179.4	-170.4	175.7	-169.9	0	111.9	E146 Q147 E148 Q1218	K144-E146 VanDerWaalsContact C-N 3.33Å; K144-Q147 CarbonylContact O-C 3.59Å; K144-Q147 WeakPolarHBondContact O-CB 3.29Å; K144-Q147 PolarHBondContact O-N 2.75Å; K144-E148 WeakPolarHBondContact O-CB 3.49Å; K144-E148 PolarHBondContact O-N 3.15Å; K144-Q1218 HydrophobicContact CB-CG 4.41Å
145	F	74.7	Confident	55.3	Low	8 Å²	8	84.6 Å²	84.6	4%	0.035	44%	0.444	C	S	.	.	H	α-helix	trans	-65	-37.7	171.3	174.5	-121.5	0	0	0	111.5	S143 E148 L149 M479 V649 L652 K653 Y656	S143-F145 VanDerWaalsContact C-N 3.28Å; S143-F145 PolarHBondContact O-N 3.33Å; F145-E148 CarbonylContact O-C 3.47Å; F145-E148 WeakPolarHBondContact O-CB 3.07Å; F145-E148 PolarHBondContact O-N 3.34Å; F145-L149 HydrophobicContact CD1-CD1 4.18Å; F145-L149 HydrophobicContact CD2-CG 4.48Å; F145-L149 HydrophobicContact CE1-CD1 3.74Å; F145-L149 HydrophobicContact CE1-CG 4.31Å; F145-L149 HydrophobicContact CE2-CD1 4.42Å; F145-L149 HydrophobicContact CE2-CD2 4.17Å; F145-L149 HydrophobicContact CE2-CG 4.1Å; F145-L149 HydrophobicContact CZ-CD1 3.88Å; F145-L149 HydrophobicContact CZ-CD2 4.05Å; F145-L149 HydrophobicContact CZ-CG 4.02Å; F145-L149 WeakPolarHBondContact O-CG 3.21Å; F145-L149 PolarHBondContact O-N 3.42Å; F145-M479 HydrophobicContact CZ-CE 4.36Å; F145-V649 HydrophobicContact CD1-CG1 3.99Å; F145-V649 HydrophobicContact CE1-CG1 4.39Å; F145-L652 HydrophobicContact CE1-CB 4.22Å; F145-L652 HydrophobicContact CZ-CB 4.48Å; F145-K653 HydrophobicContact CD1-CB 4.38Å; F145-K653 HydrophobicContact CD1-CD 4.15Å; F145-K653 HydrophobicContact CD2-CD 3.68Å; F145-K653 HydrophobicContact CE1-CB 4.05Å; F145-K653 HydrophobicContact CE1-CD 4.23Å; F145-K653 HydrophobicContact CE2-CD 3.78Å; F145-K653 HydrophobicContact CG-CD 3.87Å; F145-K653 HydrophobicContact CZ-CB 4.32Å; F145-K653 HydrophobicContact CZ-CD 4.05Å; F145-Y656 HydrophobicContact CD2-CD1 4.41Å; F145-Y656 AromaticContact CE2-CD1 3.58Å; F145-Y656 HydrophobicContact CE2-CD1 3.58Å; F145-Y656 HydrophobicContact CE2-CE1 4.07Å; F145-Y656 HydrophobicContact CE2-CG 4.17Å; F145-Y656 HydrophobicContact CZ-CD1 4.35Å
146	E	70	Confident	55.9	Low	5 Å²	5	81.7 Å²	81.7	2%	0.023	43%	0.426	C	S	.	.	H	α-helix	trans	-68.7	-35.4	171.9	-70.4	178.3	115	0	0	112.5	P142 S143 K144 E148 L149 M150 R645	P142-E146 HydrophobicContact CB-CB 3.85Å; S143-E146 PolarHBondContact N-OE2 3Å; S143-E146 CarbonylContact O-C 3.55Å; S143-E146 WeakPolarHBondContact O-CA 3.24Å; S143-E146 WeakPolarHBondContact O-CB 3.4Å; S143-E146 PolarHBondContact O-N 3.2Å; S143-E146 WeakPolarHBondContact OG-CB 3.35Å; S143-E146 VanDerWaalsContact OG-CG 3.23Å; S143-E146 WeakPolarHBondContact OG-CG 2.9Å; S143-E146 PolarHBondContact OG-N 3.42Å; S143-E146 VanDerWaalsContact OG-N 3.16Å; S143-E146 PolarHBondContact OG-OE2 3.29Å; K144-E146 VanDerWaalsContact C-N 3.33Å; E146-E148 VanDerWaalsContact C-N 3.29Å; E146-L149 CarbonylContact O-C 3.54Å; E146-L149 WeakPolarHBondContact O-CB 3.14Å; E146-L149 PolarHBondContact O-N 3.06Å; E146-M150 WeakPolarHBondContact O-CB 3.38Å; E146-M150 WeakPolarHBondContact O-CG 3.28Å; E146-M150 PolarHBondContact O-N 2.79Å; E146-R645 IonicContact OE1-CZ 2.71Å; E146-R645 VanDerWaalsContact OE1-CZ 3.3Å; E146-R645 IonicContact OE1-NE 3.76Å; E146-R645 IonicContact OE1-NH2 3.66Å; E146-R645 PolarHBondContact OE1-NH2 3.44Å; E146-R645 IonicContact OE2-NH2 2.93Å; E146-R645 PolarHBondContact OE2-NH2 3.25Å; E146-R645 VanDerWaalsContact OE2-NH2 3.07Å
147	Q	70.2	Confident	56.2	Low	93 Å²	93	77.5 Å²	77.5	44%	0.435	41%	0.413	S	S	.	.	H	α-helix	trans	-65.3	-35.2	170.2	-66.1	167.8	23.6	0	0	110.9	P142 S143 K144 M150 L151	P142-Q147 HydrophobicContact CB-CG 4.39Å; P142-Q147 HydrophobicContact CG-CG 4.26Å; P142-Q147 PolarHBondContact O-NE2 2.81Å; S143-Q147 WeakPolarHBondContact O-CG 3.36Å; S143-Q147 PolarHBondContact O-N 3.29Å; K144-Q147 CarbonylContact O-C 3.59Å; K144-Q147 WeakPolarHBondContact O-CB 3.29Å; K144-Q147 PolarHBondContact O-N 2.75Å; Q147-M150 WeakPolarHBondContact O-CB 3.38Å; Q147-M150 PolarHBondContact O-N 2.94Å; Q147-L151 WeakPolarHBondContact O-CB 3.24Å; Q147-L151 WeakPolarHBondContact O-CG 3.39Å; Q147-L151 PolarHBondContact O-N 2.93Å
148	E	72.6	Confident	56.3	Low	48 Å²	48	79.3 Å²	79.3	22%	0.224	42%	0.417	C	S	.	.	H	α-helix	trans	-63.2	-47.7	170.7	-169.4	178.7	-173.5	0	0	109.2	K144 F145 E146 M150 L151 L152 Y656 R660	K144-E148 WeakPolarHBondContact O-CB 3.49Å; K144-E148 PolarHBondContact O-N 3.15Å; F145-E148 CarbonylContact O-C 3.47Å; F145-E148 WeakPolarHBondContact O-CB 3.07Å; F145-E148 PolarHBondContact O-N 3.34Å; E146-E148 VanDerWaalsContact C-N 3.29Å; E148-M150 VanDerWaalsContact C-N 3.27Å; E148-M150 PolarHBondContact O-N 3.22Å; E148-L151 PolarHBondContact O-N 2.97Å; E148-L152 WeakPolarHBondContact O-CB 3.32Å; E148-L152 WeakPolarHBondContact O-CG 3.46Å; E148-L152 PolarHBondContact O-N 3.21Å; E148-Y656 PolarHBondContact OE1-OH 3.35Å; E148-R660 IonicContact OE1-NH1 2.73Å; E148-R660 PolarHBondContact OE1-NH1 3.42Å; E148-R660 VanDerWaalsContact OE1-NH1 3.15Å
149	L	73.6	Confident	55.9	Low	1 Å²	1	79.6 Å²	79.6	1%	0.005	42%	0.418	C	S	.	.	H	α-helix	trans	-58.8	-34.9	172.3	-66.8	173.1	0	0	0	112.9	F145 E146 L152 M479 R491 I502 V503	F145-L149 HydrophobicContact CD1-CD1 4.18Å; F145-L149 HydrophobicContact CD2-CG 4.48Å; F145-L149 HydrophobicContact CE1-CD1 3.74Å; F145-L149 HydrophobicContact CE1-CG 4.31Å; F145-L149 HydrophobicContact CE2-CD1 4.42Å; F145-L149 HydrophobicContact CE2-CD2 4.17Å; F145-L149 HydrophobicContact CE2-CG 4.1Å; F145-L149 HydrophobicContact CZ-CD1 3.88Å; F145-L149 HydrophobicContact CZ-CD2 4.05Å; F145-L149 HydrophobicContact CZ-CG 4.02Å; F145-L149 WeakPolarHBondContact O-CG 3.21Å; F145-L149 PolarHBondContact O-N 3.42Å; E146-L149 CarbonylContact O-C 3.54Å; E146-L149 WeakPolarHBondContact O-CB 3.14Å; E146-L149 PolarHBondContact O-N 3.06Å; L149-L152 HydrophobicContact CD2-CD1 4.35Å; L149-M479 HydrophobicContact CD2-CE 4.42Å; L149-R491 PolarHBondContact O-NH1 3.13Å; L149-I502 HydrophobicContact CD1-CG2 4.4Å; L149-V503 WeakPolarHBondContact CB-O 3.15Å
150	M	70.2	Confident	55.2	Low	71 Å²	71	81.8 Å²	81.8	35%	0.35	42%	0.417	S	S	.	.	H	α-helix	trans	-71.8	-46	175.5	-73	172.2	81.8	0	0	112.2	P142 E146 Q147 E148 L152 D153 D154 V503	P142-M150 HydrophobicContact CB-SD 4.02Å; P142-M150 HydrophobicContact CG-SD 3.97Å; E146-M150 WeakPolarHBondContact O-CB 3.38Å; E146-M150 WeakPolarHBondContact O-CG 3.28Å; E146-M150 PolarHBondContact O-N 2.79Å; Q147-M150 WeakPolarHBondContact O-CB 3.38Å; Q147-M150 PolarHBondContact O-N 2.94Å; E148-M150 VanDerWaalsContact C-N 3.27Å; E148-M150 PolarHBondContact O-N 3.22Å; M150-L152 PolarHBondContact O-N 2.97Å; M150-D153 WeakPolarHBondContact O-CA 3.28Å; M150-D153 WeakPolarHBondContact O-CB 3.37Å; M150-D153 PolarHBondContact O-N 3.17Å; M150-D154 PolarHBondContact O-N 2.92Å; M150-V503 HydrophobicContact CE-CG1 4.01Å; M150-V503 HydrophobicContact CG-CB 3.82Å; M150-V503 HydrophobicContact CG-CG1 3.25Å; M150-V503 HydrophobicContact SD-CB 4.11Å; M150-V503 HydrophobicContact SD-CG1 3.76Å; M150-V503 HydrophobicContact SD-CG2 4.48Å
151	L	65.3	Low	54.3	Low	107 Å²	107	83.3 Å²	83.3	56%	0.56	44%	0.435	S	S	*	.	H	α-helix	trans	-63.5	-27.9	176.5	-71.8	169.2	0	0	0	111.4	Q147 E148 D153 D154 I155	Q147-L151 WeakPolarHBondContact O-CB 3.24Å; Q147-L151 WeakPolarHBondContact O-CG 3.39Å; Q147-L151 PolarHBondContact O-N 2.93Å; E148-L151 PolarHBondContact O-N 2.97Å; L151-D153 VanDerWaalsContact C-N 3.28Å; L151-D154 PolarHBondContact O-N 3.29Å; L151-I155 WeakPolarHBondContact O-CG1 3.42Å; L151-I155 PolarHBondContact O-N 3.46Å
152	L	64.4	Low	52.9	Low	15 Å²	15	83.7 Å²	83.7	8%	0.079	44%	0.441	C	S	.	.	H	α-helix	trans	-67.7	-25.8	171.6	-68.9	170.6	0	0	0	112.5	E148 L149 M150 T487 R491	E148-L152 WeakPolarHBondContact O-CB 3.32Å; E148-L152 WeakPolarHBondContact O-CG 3.46Å; E148-L152 PolarHBondContact O-N 3.21Å; L149-L152 HydrophobicContact CD2-CD1 4.35Å; M150-L152 PolarHBondContact O-N 2.97Å; L152-T487 HydrophobicContact CD2-CG2 3.22Å; L152-R491 PolarHBondContact O-NH2 2.79Å
153	D	55.1	Low	51.7	Low	59 Å²	59	88.2 Å²	88.2	32%	0.316	47%	0.468	S	S	.	.	H	α-helix	trans	-79.3	-35.1	173.9	-66.6	-9.3	0	0	0	112.3	M150 L151 I155 E156 T157 R491 G504	M150-D153 WeakPolarHBondContact O-CA 3.28Å; M150-D153 WeakPolarHBondContact O-CB 3.37Å; M150-D153 PolarHBondContact O-N 3.17Å; L151-D153 VanDerWaalsContact C-N 3.28Å; D153-I155 PolarHBondContact O-N 2.9Å; D153-E156 PolarHBondContact O-N 3.44Å; D153-E156 VanDerWaalsContact O-N 3.11Å; D153-T157 PolarHBondContact O-OG1 3.45Å; D153-R491 IonicContact OD1-CZ 2.78Å; D153-R491 IonicContact OD1-NH1 3.04Å; D153-R491 PolarHBondContact OD1-NH1 2.74Å; D153-R491 IonicContact OD1-NH2 3.41Å; D153-R491 PolarHBondContact OD1-NH2 2.96Å; D153-G504 VanDerWaalsContact OD2-CA 3.24Å; D153-G504 WeakPolarHBondContact OD2-CA 3.26Å
154	D	49.3	Very low	50.3	Low	108 Å²	108	93.3 Å²	93.3	58%	0.578	49%	0.494	S	S	*	.	H	α-helix	trans	-65.7	-27.5	179.3	-72.5	-21.4	0	0	0	112.4	M150 L151 E156 T157	M150-D154 PolarHBondContact O-N 2.92Å; L151-D154 PolarHBondContact O-N 3.29Å; D154-E156 VanDerWaalsContact C-N 3.28Å; D154-E156 PolarHBondContact O-N 3.5Å; D154-T157 WeakPolarHBondContact CA-OG1 3.37Å; D154-T157 PolarHBondContact O-OG1 3.38Å
155	I	44.1	Very low	49	Very low	115 Å²	115	95.3 Å²	95.3	59%	0.59	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-21.1	176	-65.1	168.4	0	0	0	111.9	L151 D153	L151-I155 WeakPolarHBondContact O-CG1 3.42Å; L151-I155 PolarHBondContact O-N 3.46Å; D153-I155 PolarHBondContact O-N 2.9Å
156	E	41.3	Very low	47.2	Very low	91 Å²	91	99.9 Å²	99.9	43%	0.425	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-15.9	-179.9	-69.3	-178.5	-173.7	0	0	113.3	D153 D154 E158 R491	D153-E156 PolarHBondContact O-N 3.44Å; D153-E156 VanDerWaalsContact O-N 3.11Å; D154-E156 VanDerWaalsContact C-N 3.28Å; D154-E156 PolarHBondContact O-N 3.5Å; E156-E158 PolarHBondContact O-N 3.08Å; E156-R491 IonicContact OE1-NH2 3.29Å
157	T	33.5	Very low	45.3	Very low	91 Å²	91	104.6 Å²	104.6	56%	0.558	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-88.3	5.8	-169.8	24.3	0	0	0	0	115.9	D153 D154 D159	D153-T157 PolarHBondContact O-OG1 3.45Å; D154-T157 WeakPolarHBondContact CA-OG1 3.37Å; D154-T157 PolarHBondContact O-OG1 3.38Å; T157-D159 PolarHBondContact O-N 3.31Å
158	E	34.1	Very low	43.4	Very low	184 Å²	184	104.5 Å²	104.5	86%	0.86	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-73.7	-6.6	171.6	-76.8	-167.1	161.2	0	0	114.3	E156	E156-E158 PolarHBondContact O-N 3.08Å
159	D	28.1	Very low	41.4	Very low	156 Å²	156	111 Å²	111	83%	0.834	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-131.5	43.9	-178	-88.7	-28.9	0	0	0	114.7	T157	T157-D159 PolarHBondContact O-N 3.31Å
160	I	29	Very low	39.3	Very low	131 Å²	131	115 Å²	115	67%	0.672	65%	0.65	S	S	*	*			trans	-138.5	111.4	168.1	-53.5	178.9	0	0	0	111.7	L162	I160-L162 PolarHBondContact O-N 3.32Å
161	A	28.4	Very low	37.4	Very low	93 Å²	93	119.6 Å²	119.6	77%	0.769	67%	0.671	S	S	*	*			trans	-66.6	123.2	172	0	0	0	0	0	111	V163	A161-V163 PolarHBondContact O-N 2.99Å
162	L	24.8	Very low	35.6	Very low	176 Å²	176	123.3 Å²	123.3	92%	0.921	69%	0.69	S	S	*	*			trans	-57.3	127.5	178.7	-66.3	163	0	0	0	112.2	I160	I160-L162 PolarHBondContact O-N 3.32Å
163	V	31.1	Very low	33.8	Very low	138 Å²	138	129.2 Å²	129.2	84%	0.836	72%	0.722	S	S	*	*			trans	-122.2	133.4	164.5	-176.5	0	0	0	0	109.3	A161	A161-V163 PolarHBondContact O-N 2.99Å
164	D	32.5	Very low	32.9	Very low	127 Å²	127	132.7 Å²	132.7	68%	0.679	75%	0.745	S	S	*	*			trans	-47.5	128.9	-171.8	-170.5	-23.9	0	0	0	116.3	S166	D164-S166 PolarHBondContact O-N 3.32Å; D164-S166 PolarHBondContact OD1-N 3.23Å; D164-S166 PolarHBondContact OD1-OG 2.68Å
165	E	37.8	Very low	32.1	Very low	184 Å²	184	136 Å²	136	86%	0.86	76%	0.757	S	S	*	*			trans	-80.2	7.4	-171.4	-80.9	-175.4	144.4	0	0	116.3	S167	E165-S167 VanDerWaalsContact C-N 3.33Å; E165-S167 PolarHBondContact O-N 3Å
166	S	35.1	Very low	31.9	Very low	104 Å²	104	135.6 Å²	135.6	73%	0.727	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	16.7	-170.8	51.9	0	0	0	0	116.9	D164	D164-S166 PolarHBondContact O-N 3.32Å; D164-S166 PolarHBondContact OD1-N 3.23Å; D164-S166 PolarHBondContact OD1-OG 2.68Å
167	S	30.8	Very low	32.5	Very low	105 Å²	105	133.4 Å²	133.4	73%	0.734	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.4	4.9	-179.8	61.2	0	0	0	0	117.9	E165 L169	E165-S167 VanDerWaalsContact C-N 3.33Å; E165-S167 PolarHBondContact O-N 3Å; S167-L169 PolarHBondContact O-N 2.97Å
168	A	30.2	Very low	34	Very low	91 Å²	91	133.7 Å²	133.7	75%	0.752	76%	0.757	S	S	*	*			trans	-100.1	28.8	-168.7	0	0	0	0	0	116.7
169	L	30.7	Very low	36.2	Very low	183 Å²	183	130.9 Å²	130.9	96%	0.958	74%	0.743	S	S	*	*			trans	-114.9	52.6	173.3	-74	175.1	0	0	0	112.5	S167	S167-L169 PolarHBondContact O-N 2.97Å
170	S	28.6	Very low	39.2	Very low	85 Å²	85	124.1 Å²	124.1	59%	0.594	71%	0.706	S	S	*	*	S	Bend	trans	-152.4	119.8	164.1	68.9	0	0	0	0	111.9
171	H	30.6	Very low	42.3	Very low	169 Å²	169	120.5 Å²	120.5	78%	0.782	69%	0.691	S	S	*	*			trans	82	99.9	166.1	-52.5	-70.3	0	0	0	117	D173	H171-D173 PolarHBondContact O-N 3.36Å
172	L	27.5	Very low	45.3	Very low	185 Å²	185	117 Å²	117	97%	0.969	66%	0.658	S	S	*	*			trans	-60.4	72.4	159.6	-74.3	151.7	0	0	0	110.3
173	D	27.7	Very low	48.4	Very low	138 Å²	138	118.5 Å²	118.5	74%	0.738	65%	0.652	S	S	*	*			trans	-86.7	129.3	155.7	-89.1	-32	0	0	0	107.9	H171 Q175	H171-D173 PolarHBondContact O-N 3.36Å; D173-Q175 VanDerWaalsContact C-N 3.3Å; D173-Q175 PolarHBondContact O-N 3.15Å
174	V	35.6	Very low	51.2	Low	132 Å²	132	121.3 Å²	121.3	80%	0.8	65%	0.653	S	S	*	*			trans	-56.9	90	-177.8	178.3	0	0	0	0	109.2	T176	V174-T176 PolarHBondContact O-N 3.02Å
175	Q	33.4	Very low	53.9	Low	178 Å²	178	117.6 Å²	117.6	83%	0.832	63%	0.632	S	S	*	*			trans	-60.2	111.4	174.7	-74.6	178.3	-13.5	0	0	108	D173 N177	D173-Q175 VanDerWaalsContact C-N 3.3Å; D173-Q175 PolarHBondContact O-N 3.15Å; Q175-N177 PolarHBondContact O-N 3.29Å; Q175-N177 VanDerWaalsContact O-N 3.11Å
176	T	38.4	Very low	56.3	Low	106 Å²	106	115.9 Å²	115.9	65%	0.65	62%	0.624	S	S	*	*			trans	-53.7	115	153.5	44.5	0	0	0	0	106.6	V174 S178	V174-T176 PolarHBondContact O-N 3.02Å; T176-S178 PolarHBondContact O-N 2.88Å; T176-S178 VanDerWaalsContact O-N 3.12Å
177	N	55.7	Low	58.8	Low	45 Å²	45	120.6 Å²	120.6	24%	0.241	63%	0.632	C	S	.	*			trans	-65.7	114.7	-178.5	-167.6	-16.7	0	0	0	107.8	Q175 H179 W180 Q506	Q175-N177 PolarHBondContact O-N 3.29Å; Q175-N177 VanDerWaalsContact O-N 3.11Å; N177-H179 PolarHBondContact O-N 3.02Å; N177-W180 HydrophobicContact CB-CD2 4.12Å; N177-W180 HydrophobicContact CB-CG 4.32Å; N177-W180 HydrophobicContact CB-CZ2 4.35Å; N177-W180 PolarHBondContact O-N 3.48Å; N177-Q506 PolarHBondContact ND2-OE1 3.47Å; N177-Q506 VanDerWaalsContact ND2-OE1 3.15Å
178	S	64	Low	61.6	Low	98 Å²	98	117.6 Å²	117.6	69%	0.685	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-14.1	-171.8	44.6	0	0	0	0	114.1	T176	T176-S178 PolarHBondContact O-N 2.88Å; T176-S178 VanDerWaalsContact O-N 3.12Å
179	H	80.2	Confident	64.6	Low	125 Å²	125	115.6 Å²	115.6	58%	0.579	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-14.1	-173.4	-62.4	-83.3	0	0	0	115.4	N177	N177-H179 PolarHBondContact O-N 3.02Å
180	W	91.6	Very high	67.4	Low	13 Å²	13	108.4 Å²	108.4	5%	0.049	55%	0.548	C	S	.	.	S	Bend	trans	-73.8	-47.9	-178	-62	-9.2	0	0	0	114.6	N177 R450 I490 F494 Q506 I508 F523 E526 V527	N177-W180 HydrophobicContact CB-CD2 4.12Å; N177-W180 HydrophobicContact CB-CG 4.32Å; N177-W180 HydrophobicContact CB-CZ2 4.35Å; N177-W180 PolarHBondContact O-N 3.48Å; W180-R450 PolarHBondContact O-NH1 2.88Å; W180-I490 HydrophobicContact CB-CD1 4.18Å; W180-I490 HydrophobicContact CG-CD1 4.12Å; W180-F494 HydrophobicContact CH2-CZ 4.4Å; W180-Q506 VanDerWaalsContact CZ2-OE1 3.28Å; W180-I508 HydrophobicContact CH2-CD1 3.76Å; W180-I508 HydrophobicContact CZ2-CD1 3.76Å; W180-F523 AromaticContact CD2-CD2 3.85Å; W180-F523 HydrophobicContact CD2-CD2 3.85Å; W180-F523 AromaticContact CD2-CE2 3.96Å; W180-F523 HydrophobicContact CD2-CE2 3.96Å; W180-F523 AromaticContact CE3-CD2 3.66Å; W180-F523 HydrophobicContact CE3-CD2 3.66Å; W180-F523 HydrophobicContact CE3-CE2 4.26Å; W180-F523 HydrophobicContact CG-CE2 4.32Å; W180-F523 AromaticContact CH2-CD2 4Å; W180-F523 HydrophobicContact CH2-CD2 4Å; W180-F523 HydrophobicContact CZ2-CD2 4.18Å; W180-F523 HydrophobicContact CZ2-CE2 4.32Å; W180-F523 AromaticContact CZ3-CD2 3.74Å; W180-F523 HydrophobicContact CZ3-CD2 3.74Å; W180-E526 HydrophobicContact CB-CG 4.44Å; W180-V527 HydrophobicContact CB-CG2 4.12Å; W180-V527 HydrophobicContact CG-CG2 4.49Å
181	P	93.3	Very high	70.5	Confident	56 Å²	56	109.1 Å²	109.1	36%	0.364	55%	0.546	S	S	.	.	S	Bend	trans	-60.9	156.6	-175.6	-22.5	34.7	0	0	0	112.4	E526	P181-E526 HydrophobicContact CG-CG 3.96Å
182	R	92.8	Very high	73.4	Confident	20 Å²	20	108.7 Å²	108.7	8%	0.075	54%	0.541	C	S	.	.	P	Polyproline II helix	trans	-61.1	153.3	165.7	-71.2	-175	-179.4	-90.7	-4.3	110	K184 G233 D528 D530	R182-K184 PolarHBondContact O-N 2.94Å; R182-G233 PolarHBondContact NH1-O 3.43Å; R182-D528 WeakPolarHBondContact CD-OD2 3.26Å; R182-D528 HydrophobicContact CG-CB 4.48Å; R182-D528 VanDerWaalsContact CZ-O 3.32Å; R182-D528 IonicContact CZ-OD2 3.77Å; R182-D528 PolarHBondContact NE-O 2.72Å; R182-D528 VanDerWaalsContact NE-O 3.14Å; R182-D528 IonicContact NE-OD2 3.55Å; R182-D528 PolarHBondContact NE-OD2 3.42Å; R182-D528 PolarHBondContact NH2-O 3.43Å; R182-D530 IonicContact CZ-OD2 3.96Å; R182-D530 IonicContact NH1-OD2 3.72Å; R182-D530 IonicContact NH2-OD1 3.45Å; R182-D530 PolarHBondContact NH2-OD1 3.3Å; R182-D530 IonicContact NH2-OD2 3.62Å; R182-D530 PolarHBondContact NH2-OD2 3.38Å
183	R	89.3	Confident	76.6	Confident	206 Å²	206	102.8 Å²	102.8	78%	0.777	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-49.7	135.3	172.8	-68.1	-177.8	-178.5	-178.7	1.2	109.8	L185 H234 Q424	R183-L185 PolarHBondContact O-N 3.46Å; R183-H234 PolarHBondContact O-CE1 2.96Å; R183-H234 VanDerWaalsContact O-CE1 3.31Å; R183-H234 PolarHBondContact O-ND1 3.27Å; R183-Q424 PolarHBondContact O-NE2 3.39Å
184	K	89	Confident	79.9	Confident	197 Å²	197	98 Å²	98	86%	0.857	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-61.2	131.9	-178.6	-171	176.1	179.3	-179.2	0	109.7	R182	R182-K184 PolarHBondContact O-N 2.94Å
185	L	89.8	Confident	82.8	Confident	49 Å²	49	92 Å²	92	26%	0.257	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-73.4	131.4	176.9	179.8	69.3	0	0	0	110	R183 L188 H234 Q424 I425	R183-L185 PolarHBondContact O-N 3.46Å; L185-L188 HydrophobicContact CD1-CD1 4.44Å; L185-L188 HydrophobicContact CD2-CD1 4.18Å; L185-H234 HydrophobicContact CD1-CB 4.46Å; L185-Q424 HydrophobicContact CB-CB 4.49Å; L185-Q424 HydrophobicContact CD2-CB 4.44Å; L185-Q424 WeakPolarHBondContact CD2-O 3.29Å; L185-I425 HydrophobicContact CD1-CD1 3.85Å; L185-I425 HydrophobicContact CD1-CG1 3.89Å; L185-I425 HydrophobicContact CD2-CD1 4.35Å; L185-I425 HydrophobicContact CD2-CG1 3.49Å; L185-I425 VanDerWaalsContact CD2-CG1 3.49Å; L185-I425 HydrophobicContact CG-CG1 4.34Å
186	E	88	Confident	85.9	Confident	148 Å²	148	85.5 Å²	85.5	69%	0.692	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-68.8	151.3	169.2	-68	174	172.5	0	0	110.6	L188	E186-L188 PolarHBondContact O-N 3.38Å; E186-L188 VanDerWaalsContact O-N 3.1Å
187	K	88	Confident	88.7	Confident	204 Å²	204	80.5 Å²	80.5	89%	0.887	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-65.6	116.9	-178	-172.6	-179.6	-179.9	-177	0	110
188	L	90.3	Very high	90.8	Very high	41 Å²	41	78.4 Å²	78.4	22%	0.215	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-80.6	134.7	175.8	-64.2	171	0	0	0	111	L185 E186 D193 I195 L374 I425	L185-L188 HydrophobicContact CD1-CD1 4.44Å; L185-L188 HydrophobicContact CD2-CD1 4.18Å; E186-L188 PolarHBondContact O-N 3.38Å; E186-L188 VanDerWaalsContact O-N 3.1Å; L188-D193 HydrophobicContact CD2-CB 4.18Å; L188-I195 HydrophobicContact CD1-CD1 4.28Å; L188-I195 HydrophobicContact CD1-CG1 4.35Å; L188-L374 HydrophobicContact CB-CD1 3.83Å; L188-L374 HydrophobicContact CD1-CD2 4.37Å; L188-I425 HydrophobicContact CD1-CD1 4Å; L188-I425 HydrophobicContact CD1-CG1 4Å; L188-I425 HydrophobicContact CD1-CG2 4.08Å
189	D	91.4	Very high	92.3	Very high	50 Å²	50	73.8 Å²	73.8	27%	0.267	36%	0.355	S	S	.	.			trans	-104.2	108.4	167.9	-179.9	-1.3	0	0	0	109.4	N191 K192 D193	D189-N191 PolarHBondContact O-N 2.92Å; D189-N191 WeakPolarHBondContact OD1-CB 3.14Å; D189-N191 PolarHBondContact OD1-N 3.22Å; D189-N191 PolarHBondContact OD1-ND2 2.87Å; D189-K192 HydrophobicContact CB-CB 4.33Å; D189-K192 PolarHBondContact O-N 3.29Å; D189-K192 WeakPolarHBondContact OD2-CD 2.76Å; D189-D193 PolarHBondContact N-OD2 3.46Å; D189-D193 PolarHBondContact O-N 2.91Å
190	P	91.3	Very high	93	Very high	32 Å²	32	68 Å²	68	21%	0.208	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-22.5	179.2	-27.3	35.5	0	0	0	114.9	Q370 Y372 L374	P190-Q370 PolarHBondContact O-N 3.08Å; P190-Y372 WeakPolarHBondContact CA-OH 3.14Å; P190-Y372 HydrophobicContact CB-CE2 4.01Å; P190-Y372 HydrophobicContact CG-CE2 4.18Å; P190-L374 HydrophobicContact CG-CB 4.38Å; P190-L374 HydrophobicContact CG-CD1 3.54Å; P190-L374 HydrophobicContact CG-CG 3.8Å
191	N	91.9	Very high	93.1	Very high	100 Å²	100	68.1 Å²	68.1	54%	0.535	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-16.3	-179.3	-56.2	-67.4	0	0	0	113.6	D189 Q370	D189-N191 PolarHBondContact O-N 2.92Å; D189-N191 WeakPolarHBondContact OD1-CB 3.14Å; D189-N191 PolarHBondContact OD1-N 3.22Å; D189-N191 PolarHBondContact OD1-ND2 2.87Å; N191-Q370 HydrophobicContact CB-CG 4.46Å
192	K	92.8	Very high	93.2	Very high	159 Å²	159	65.8 Å²	65.8	69%	0.691	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.6	-31.4	-173.5	-64.4	-178.9	-174	172.3	0	113.7	D189 T369	D189-K192 HydrophobicContact CB-CB 4.33Å; D189-K192 PolarHBondContact O-N 3.29Å; D189-K192 WeakPolarHBondContact OD2-CD 2.76Å; K192-T369 VanDerWaalsContact O-CG2 3.22Å; K192-T369 WeakPolarHBondContact O-CG2 3.48Å
193	D	94.8	Very high	93.3	Very high	61 Å²	61	65.9 Å²	65.9	33%	0.326	32%	0.319	S	S	.	.			trans	-101.9	122.5	-173.2	-57.6	-39.1	0	0	0	110.5	L188 D189 Y372	L188-D193 HydrophobicContact CD2-CB 4.18Å; D189-D193 PolarHBondContact N-OD2 3.46Å; D189-D193 PolarHBondContact O-N 2.91Å; D193-Y372 VanDerWaalsContact O-CE1 3.31Å; D193-Y372 WeakPolarHBondContact O-CE1 3.39Å; D193-Y372 PolarHBondContact O-OH 3.18Å
194	G	95.8	Very high	93.7	Very high	37 Å²	37	58.9 Å²	58.9	38%	0.381	30%	0.295	S	S	.	.			trans	-80.3	150.3	163.8	0	0	0	0	0	110.2	A367	G194-A367 WeakPolarHBondContact CA-O 3.46Å
195	I	97.6	Very high	94	Very high	6 Å²	6	51.5 Å²	51.5	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	110.2	175.5	-57.9	164.7	0	0	0	109	L188 F197 V236 E366 A367 Y372 L374 I425 F427	L188-I195 HydrophobicContact CD1-CD1 4.28Å; L188-I195 HydrophobicContact CD1-CG1 4.35Å; I195-F197 HydrophobicContact CG2-CD1 4.1Å; I195-V236 HydrophobicContact CG2-CG1 4.43Å; I195-E366 CarbonylContact O-C 3.59Å; I195-E366 WeakPolarHBondContact O-CA 3.45Å; I195-A367 HydrophobicContact CB-CB 4.27Å; I195-A367 PolarHBondContact N-O 2.79Å; I195-A367 PolarHBondContact O-N 3.01Å; I195-Y372 HydrophobicContact CD1-CD2 3.87Å; I195-Y372 HydrophobicContact CD1-CE1 4.19Å; I195-Y372 HydrophobicContact CD1-CE2 3.32Å; I195-Y372 HydrophobicContact CD1-CG 4.48Å; I195-Y372 HydrophobicContact CG1-CE1 4.29Å; I195-Y372 HydrophobicContact CG1-CE2 4.16Å; I195-L374 HydrophobicContact CD1-CD2 4.14Å; I195-I425 HydrophobicContact CD1-CG2 3.74Å; I195-I425 HydrophobicContact CG2-CD1 4.39Å; I195-I425 HydrophobicContact CG2-CG2 4.22Å; I195-F427 HydrophobicContact CB-CE1 4.33Å; I195-F427 HydrophobicContact CD1-CD1 3.67Å; I195-F427 HydrophobicContact CD1-CE1 3.93Å; I195-F427 HydrophobicContact CD1-CG 4.26Å; I195-F427 HydrophobicContact CG2-CE1 4.02Å
196	T	97.9	Very high	94.1	Very high	43 Å²	43	52.7 Å²	52.7	26%	0.264	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.9	177.5	-57	0	0	0	0	110.8	W364 V365 W443	T196-W364 HydrophobicContact CG2-CE3 3.93Å; T196-W364 HydrophobicContact CG2-CZ3 4.46Å; T196-V365 CarbonylContact C-O 3.59Å; T196-V365 WeakPolarHBondContact CA-O 3.45Å; T196-W443 HydrophobicContact CG2-CH2 3.64Å; T196-W443 HydrophobicContact CG2-CZ3 3.5Å
197	F	98.2	Very high	94.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	152.3	-175.6	65.7	-82.3	0	0	0	112.3	I195 Q199 L226 I229 T230 V236 A238 W364 V365 F427	I195-F197 HydrophobicContact CG2-CD1 4.1Å; F197-Q199 HydrophobicContact CE2-CB 4.14Å; F197-L226 HydrophobicContact CE2-CB 4.35Å; F197-L226 HydrophobicContact CZ-CB 4.46Å; F197-I229 CarbonylContact C-O 3.59Å; F197-I229 WeakPolarHBondContact CA-O 3.31Å; F197-T230 HydrophobicContact CB-CG2 4.16Å; F197-V236 HydrophobicContact CB-CB 4.31Å; F197-V236 HydrophobicContact CB-CG2 3.82Å; F197-V236 HydrophobicContact CD1-CB 4.44Å; F197-V236 HydrophobicContact CD1-CG1 3.89Å; F197-V236 HydrophobicContact CD1-CG2 4.48Å; F197-V236 HydrophobicContact CD2-CB 4.19Å; F197-V236 HydrophobicContact CD2-CG1 4.26Å; F197-V236 HydrophobicContact CE1-CG1 4.02Å; F197-V236 HydrophobicContact CE2-CG1 4.35Å; F197-V236 HydrophobicContact CG-CB 4.06Å; F197-V236 HydrophobicContact CG-CG1 4Å; F197-V236 HydrophobicContact CG-CG2 4.07Å; F197-V236 HydrophobicContact CZ-CG1 4.23Å; F197-A238 HydrophobicContact CZ-CB 4Å; F197-W364 VanDerWaalsContact C-CE3 3.41Å; F197-W364 WeakPolarHBondContact O-CA 3.43Å; F197-V365 HydrophobicContact CE1-CB 4.21Å; F197-V365 HydrophobicContact CE1-CG1 4.15Å; F197-V365 HydrophobicContact CE2-CB 4.34Å; F197-V365 HydrophobicContact CZ-CB 4.06Å; F197-V365 HydrophobicContact CZ-CG1 4.02Å; F197-V365 PolarHBondContact N-O 3.02Å; F197-V365 PolarHBondContact O-N 3.35Å; F197-F427 HydrophobicContact CE1-CE1 4.19Å; F197-F427 AromaticContact CE1-CZ 3.91Å; F197-F427 HydrophobicContact CE1-CZ 3.91Å; F197-F427 HydrophobicContact CZ-CZ 4.49Å
198	Q	98.1	Very high	94.5	Very high	2 Å²	2	43 Å²	43	1%	0.009	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	115.7	171.4	-170	-176.5	25.2	0	0	109.8	G228 I229 C362 S363 W364 A447	Q198-G228 CarbonylContact O-C 3.59Å; Q198-G228 WeakPolarHBondContact O-CA 3.39Å; Q198-I229 PolarHBondContact N-O 2.86Å; Q198-I229 PolarHBondContact O-N 3.28Å; Q198-C362 PolarHBondContact NE2-O 2.96Å; Q198-S363 WeakPolarHBondContact CA-O 3.36Å; Q198-W364 HydrophobicContact CB-CD2 3.98Å; Q198-W364 HydrophobicContact CB-CE3 4.18Å; Q198-W364 HydrophobicContact CB-CG 4.5Å; Q198-W364 HydrophobicContact CB-CH2 4.35Å; Q198-W364 HydrophobicContact CB-CZ2 4.15Å; Q198-W364 HydrophobicContact CB-CZ3 4.37Å; Q198-A447 HydrophobicContact CB-CB 3.94Å
199	Q	97	Very high	94.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	129.1	175.9	148	-83.8	-26.7	0	0	109.9	F197 V202 L226 F227 M359 T360 C362 S363 V365	F197-Q199 HydrophobicContact CE2-CB 4.14Å; Q199-V202 HydrophobicContact CG-CG2 4Å; Q199-V202 VanDerWaalsContact NE2-CG2 3.33Å; Q199-L226 HydrophobicContact CG-CD2 4.46Å; Q199-F227 CarbonylContact C-O 3.47Å; Q199-F227 WeakPolarHBondContact CA-O 3.46Å; Q199-M359 HydrophobicContact CG-SD 4.21Å; Q199-T360 PolarHBondContact OE1-O 3.5Å; Q199-T360 VanDerWaalsContact OE1-O 3.08Å; Q199-C362 WeakPolarHBondContact O-CA 3.43Å; Q199-C362 PolarHBondContact O-N 2.98Å; Q199-S363 PolarHBondContact N-O 2.87Å; Q199-S363 PolarHBondContact OE1-OG 2.84Å; Q199-V365 HydrophobicContact CB-CG2 4.03Å
200	F	93.7	Very high	94.6	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	-17.2	176.2	62	-97.3	0	0	0	113.3	F227 I229 L449 V594 L682	F200-F227 HydrophobicContact CE1-CB 4.45Å; F200-F227 HydrophobicContact CE2-CB 4.18Å; F200-F227 HydrophobicContact CZ-CB 3.87Å; F200-F227 PolarHBondContact N-O 3.35Å; F200-I229 HydrophobicContact CD1-CG1 4.4Å; F200-I229 HydrophobicContact CE1-CD1 4.48Å; F200-I229 HydrophobicContact CE1-CG1 3.93Å; F200-L449 HydrophobicContact CD1-CD2 4.27Å; F200-V594 HydrophobicContact CD2-CG2 3.47Å; F200-V594 VanDerWaalsContact CD2-CG2 3.47Å; F200-V594 HydrophobicContact CE2-CG2 3.84Å; F200-L682 HydrophobicContact CB-CD2 4.42Å; F200-L682 VanDerWaalsContact O-CB 3.27Å; F200-L682 WeakPolarHBondContact O-CB 3.31Å
201	D	94.5	Very high	94.6	Very high	16 Å²	16	44.9 Å²	44.9	9%	0.086	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	144.7	177.1	-167.3	33.7	0	0	0	111.3	F227 T683	D201-F227 HydrophobicContact CB-CB 4.28Å; D201-F227 HydrophobicContact CB-CD2 4.43Å; D201-F227 PolarHBondContact N-O 3.09Å; D201-F227 PolarHBondContact O-N 3.04Å; D201-T683 VanDerWaalsContact OD1-CG2 3.3Å; D201-T683 WeakPolarHBondContact OD1-CG2 3.38Å; D201-T683 PolarHBondContact OD1-OG1 2.96Å
202	V	95.8	Very high	94.5	Very high	6 Å²	6	44.1 Å²	44.1	4%	0.036	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	127.5	-177.3	-174.7	0	0	0	0	107.8	Q199 I224 R225 L226 E350 F353 M354 P681	Q199-V202 HydrophobicContact CG-CG2 4Å; Q199-V202 VanDerWaalsContact NE2-CG2 3.33Å; V202-I224 HydrophobicContact CG1-CG2 4.17Å; V202-R225 WeakPolarHBondContact CA-O 3.12Å; V202-L226 HydrophobicContact CB-CD2 4.26Å; V202-L226 HydrophobicContact CG1-CD2 3.81Å; V202-L226 HydrophobicContact CG2-CD2 3.79Å; V202-E350 HydrophobicContact CB-CB 4.49Å; V202-E350 HydrophobicContact CG1-CB 3.92Å; V202-E350 HydrophobicContact CG1-CG 3.91Å; V202-F353 HydrophobicContact CG1-CD1 4.47Å; V202-M354 HydrophobicContact CG2-SD 4.05Å; V202-P681 HydrophobicContact CB-CG 4.3Å
203	S	95.1	Very high	94.5	Very high	22 Å²	22	37.3 Å²	37.3	15%	0.154	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	175.2	176.3	58.4	0	0	0	0	110	I224 R225	S203-I224 CarbonylContact O-C 3.56Å; S203-R225 PolarHBondContact N-O 2.91Å; S203-R225 PolarHBondContact O-N 3.37Å
204	H	96.4	Very high	94.5	Very high	60 Å²	60	36.4 Å²	36.4	28%	0.278	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	158.5	169.3	75.8	-79.4	0	0	0	111.9	I223 I224 F349 E350	H204-I223 VanDerWaalsContact CA-O 3.26Å; H204-I223 WeakPolarHBondContact CA-O 3.44Å; H204-I224 HydrophobicContact CB-CD1 4.1Å; H204-F349 HydrophobicContact CB-CD1 3.82Å; H204-F349 HydrophobicContact CB-CE1 4.09Å; H204-F349 AromaticContact CG-CD1 3.7Å; H204-E350 IonicContact CE1-OE1 3.04Å; H204-E350 IonicContact CG-OE1 2.83Å; H204-E350 PolarHBondContact N-OE1 3.05Å; H204-E350 IonicContact ND1-OE1 3.85Å; H204-E350 PolarHBondContact ND1-OE1 3.06Å; H204-E350 IonicContact ND1-OE2 3.2Å
205	Y	95.3	Very high	94.3	Very high	41 Å²	41	36.5 Å²	36.5	16%	0.161	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	167.4	172.1	71.8	-77.3	0	0	0	110.7	I223 H239	Y205-I223 HydrophobicContact CD1-CB 4.17Å; Y205-I223 HydrophobicContact CD1-CG2 4.43Å; Y205-I223 HydrophobicContact CE1-CB 3.69Å; Y205-I223 HydrophobicContact CE1-CG2 3.59Å; Y205-I223 HydrophobicContact CE2-CB 4.48Å; Y205-I223 HydrophobicContact CE2-CD1 4.06Å; Y205-I223 PolarHBondContact N-O 3.45Å; Y205-I223 PolarHBondContact O-N 3.05Å; Y205-I223 WeakPolarHBondContact OH-CD1 3.5Å; Y205-H239 AromaticContact CE1-ND1 3.55Å; Y205-H239 AromaticContact CZ-ND1 3.74Å; Y205-H239 PolarHBondContact OH-ND1 3.46Å; Y205-H239 VanDerWaalsContact OH-ND1 3.14Å
206	K	92.4	Very high	93.9	Very high	75 Å²	75	36.9 Å²	36.9	33%	0.326	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128.3	172.3	-47.1	-175.8	-160.7	179.9	0	108.6	P220 V221 E278 L315	K206-P220 HydrophobicContact CB-CB 4.42Å; K206-V221 WeakPolarHBondContact CA-O 2.76Å; K206-E278 PolarHBondContact NZ-O 3.43Å; K206-E278 IonicContact NZ-OE2 2.91Å; K206-E278 PolarHBondContact NZ-OE2 3.42Å; K206-L315 HydrophobicContact CD-CD1 4.22Å; K206-L315 HydrophobicContact CD-CD2 4.39Å; K206-L315 HydrophobicContact CG-CD2 4.27Å
207	G	91.8	Very high	93.5	Very high	13 Å²	13	40.3 Å²	40.3	13%	0.134	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	-172	178.7	0	0	0	0	0	112.9	P220 V221	G207-P220 CarbonylContact O-C 3.51Å; G207-P220 WeakPolarHBondContact O-CA 3.41Å; G207-V221 PolarHBondContact N-O 2.9Å; G207-V221 PolarHBondContact O-N 3.34Å
208	E	91.9	Very high	93.1	Very high	136 Å²	136	42.9 Å²	42.9	64%	0.636	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-84.6	144.6	177.1	-65.2	-60.6	136.8	0	0	111	L210 S219	E208-L210 PolarHBondContact O-N 3.18Å; E208-S219 WeakPolarHBondContact CA-OG 3.26Å; E208-S219 WeakPolarHBondContact OE2-CB 3.33Å; E208-S219 PolarHBondContact OE2-OG 3.09Å
209	H	92.7	Very high	92.8	Very high	42 Å²	42	44.1 Å²	44.1	19%	0.194	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-62.5	131.6	169.7	171.3	73.1	0	0	0	110.4	M213 A216 S219 V221	H209-M213 PolarHBondContact CE1-O 2.91Å; H209-A216 PolarHBondContact ND1-O 2.9Å; H209-S219 PolarHBondContact N-OG 2.65Å; H209-V221 HydrophobicContact CB-CG1 4.1Å; H209-V221 HydrophobicContact CB-CG2 4.43Å
210	L	91.7	Very high	92.6	Very high	22 Å²	22	45.5 Å²	45.5	12%	0.115	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-96.4	121.4	175.2	-175.8	61.1	0	0	0	109.5	E208 G212 M213 L417 D428	E208-L210 PolarHBondContact O-N 3.18Å; L210-G212 PolarHBondContact O-N 3.31Å; L210-M213 HydrophobicContact CB-CB 4.4Å; L210-M213 HydrophobicContact CB-CG 3.83Å; L210-M213 HydrophobicContact CD2-CE 3.86Å; L210-M213 HydrophobicContact CD2-CG 3.94Å; L210-M213 HydrophobicContact CG-CG 4.09Å; L210-M213 VanDerWaalsContact O-CB 3.3Å; L210-M213 WeakPolarHBondContact O-CB 3.22Å; L210-M213 PolarHBondContact O-N 3.26Å; L210-L417 HydrophobicContact CD1-CD1 3.62Å; L210-L417 HydrophobicContact CD1-CG 4.15Å; L210-L417 HydrophobicContact CD2-CD1 3.86Å; L210-L417 HydrophobicContact CG-CD1 4.33Å; L210-D428 HydrophobicContact CD2-CB 3.74Å
211	P	90.7	Very high	92.7	Very high	97 Å²	97	45.8 Å²	45.8	63%	0.63	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	134.8	178.2	-29.5	36.4	0	0	0	112.7	M213	P211-M213 VanDerWaalsContact C-N 3.32Å
212	G	89.8	Confident	92.8	Very high	84 Å²	84	45.2 Å²	45.2	87%	0.866	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-12.6	-176.4	0	0	0	0	0	114.9	L210	L210-G212 PolarHBondContact O-N 3.31Å
213	M	93.5	Very high	92.9	Very high	16 Å²	16	45.1 Å²	45.1	8%	0.079	28%	0.277	C	S	.	.			trans	-81.9	149.3	172.5	-67.2	-64.1	175.3	0	0	111.8	H209 L210 P211 H241 H373 D428 A430	H209-M213 PolarHBondContact CE1-O 2.91Å; L210-M213 HydrophobicContact CB-CB 4.4Å; L210-M213 HydrophobicContact CB-CG 3.83Å; L210-M213 HydrophobicContact CD2-CE 3.86Å; L210-M213 HydrophobicContact CD2-CG 3.94Å; L210-M213 HydrophobicContact CG-CG 4.09Å; L210-M213 VanDerWaalsContact O-CB 3.3Å; L210-M213 WeakPolarHBondContact O-CB 3.22Å; L210-M213 PolarHBondContact O-N 3.26Å; P211-M213 VanDerWaalsContact C-N 3.32Å; M213-H241 HydrophobicContact CB-CB 3.74Å; M213-H241 HydrophobicContact CG-CB 3.75Å; M213-H241 HydrophobicContact SD-CB 3.99Å; M213-H373 WeakPolarHBondContact CE-ND1 3.23Å; M213-D428 HydrophobicContact CE-CB 4.02Å; M213-A430 HydrophobicContact SD-CB 3.97Å; M213-A430 PolarHBondContact SD-N 3.31Å
214	P	94.5	Very high	93	Very high	43 Å²	43	44.1 Å²	44.1	28%	0.279	27%	0.27	S	S	.	.	S	Bend	trans	-72.6	175.6	178.6	28.2	-31.9	0	0	0	112.6	G242 A430	P214-G242 WeakPolarHBondContact O-CA 3.41Å; P214-A430 HydrophobicContact CG-CB 3.82Å
215	G	91.9	Very high	93.1	Very high	38 Å²	38	41.9 Å²	41.9	39%	0.392	26%	0.259	S	S	.	.	S	Bend	trans	94.9	-148.6	174.7	0	0	0	0	0	113.5
216	A	90.1	Very high	93.2	Very high	15 Å²	15	39.9 Å²	39.9	12%	0.124	25%	0.251	C	S	.	.			trans	-72.1	136.6	179.1	0	0	0	0	0	111	H209 V221 L244 L287	H209-A216 PolarHBondContact ND1-O 2.9Å; A216-V221 HydrophobicContact CB-CG1 3.98Å; A216-V221 WeakPolarHBondContact O-CG1 3.42Å; A216-L244 HydrophobicContact CB-CD2 4.3Å; A216-L287 HydrophobicContact CB-CD1 3.79Å; A216-L287 HydrophobicContact CB-CD2 4.43Å
217	T	88.5	Confident	93.5	Very high	114 Å²	114	36.3 Å²	36.3	70%	0.699	24%	0.235	S	C	*	.	S	Bend	trans	-91.6	-13.5	177.2	54	0	0	0	0	113.2
218	Q	90.1	Very high	93.8	Very high	55 Å²	55	35.7 Å²	35.7	26%	0.257	23%	0.229	S	C	.	.	S	Bend	trans	-96.6	119.7	177.6	-174.1	173.2	48.6	0	0	110.2	V221 G281 L282	Q218-V221 WeakPolarHBondContact O-CG1 3.33Å; Q218-G281 PolarHBondContact NE2-O 3.39Å; Q218-G281 VanDerWaalsContact NE2-O 3.13Å; Q218-L282 HydrophobicContact CG-CD2 4.18Å
219	S	91.3	Very high	94.1	Very high	28 Å²	28	29.2 Å²	29.2	20%	0.196	20%	0.199	C	C	.	.	S	Bend	trans	-71.1	153.3	172.4	-61.9	0	0	0	0	112.4	E208 H209	E208-S219 WeakPolarHBondContact CA-OG 3.26Å; E208-S219 WeakPolarHBondContact OE2-CB 3.33Å; E208-S219 PolarHBondContact OE2-OG 3.09Å; H209-S219 PolarHBondContact N-OG 2.65Å
220	P	93.4	Very high	94.3	Very high	29 Å²	29	27.9 Å²	27.9	19%	0.188	19%	0.193	C	C	.	.	S	Bend	cis	-76.7	146.8	-4.4	30	-37.3	0	0	0	114	K206 G207 L282 L315	K206-P220 HydrophobicContact CB-CB 4.42Å; G207-P220 CarbonylContact O-C 3.51Å; G207-P220 WeakPolarHBondContact O-CA 3.41Å; P220-L282 HydrophobicContact CG-CG 4.44Å; P220-L315 HydrophobicContact CG-CD1 4.3Å
221	V	95	Very high	94.4	Very high	10 Å²	10	33.5 Å²	33.5	6%	0.061	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	153.2	176.8	-58.7	0	0	0	0	111.9	K206 G207 H209 A216 Q218 I223	K206-V221 WeakPolarHBondContact CA-O 2.76Å; G207-V221 PolarHBondContact N-O 2.9Å; G207-V221 PolarHBondContact O-N 3.34Å; H209-V221 HydrophobicContact CB-CG1 4.1Å; H209-V221 HydrophobicContact CB-CG2 4.43Å; A216-V221 HydrophobicContact CB-CG1 3.98Å; A216-V221 WeakPolarHBondContact O-CG1 3.42Å; Q218-V221 WeakPolarHBondContact O-CG1 3.33Å; V221-I223 HydrophobicContact CG2-CD1 4.45Å; V221-I223 HydrophobicContact CG2-CG1 4.17Å
222	P	96.7	Very high	94.5	Very high	4 Å²	4	35.7 Å²	35.7	3%	0.026	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	132.2	173.8	31.3	-28.4	0	0	0	110	L244 A314 L315 P316 F349	P222-L244 HydrophobicContact CG-CD2 4.26Å; P222-A314 VanDerWaalsContact CD-O 3.23Å; P222-A314 WeakPolarHBondContact CD-O 3.49Å; P222-L315 HydrophobicContact CB-CD2 4.45Å; P222-P316 HydrophobicContact CB-CG 4.29Å; P222-F349 HydrophobicContact CB-CE1 3.96Å; P222-F349 HydrophobicContact CB-CZ 4.03Å; P222-F349 HydrophobicContact CG-CZ 4.21Å
223	I	97.6	Very high	94.8	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.015	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	123.5	178	-59	171	0	0	0	107.6	H204 Y205 V221 H239	H204-I223 VanDerWaalsContact CA-O 3.26Å; H204-I223 WeakPolarHBondContact CA-O 3.44Å; Y205-I223 HydrophobicContact CD1-CB 4.17Å; Y205-I223 HydrophobicContact CD1-CG2 4.43Å; Y205-I223 HydrophobicContact CE1-CB 3.69Å; Y205-I223 HydrophobicContact CE1-CG2 3.59Å; Y205-I223 HydrophobicContact CE2-CB 4.48Å; Y205-I223 HydrophobicContact CE2-CD1 4.06Å; Y205-I223 PolarHBondContact N-O 3.45Å; Y205-I223 PolarHBondContact O-N 3.05Å; Y205-I223 WeakPolarHBondContact OH-CD1 3.5Å; V221-I223 HydrophobicContact CG2-CD1 4.45Å; V221-I223 HydrophobicContact CG2-CG1 4.17Å; I223-H239 HydrophobicContact CG2-CB 3.96Å
224	I	98.3	Very high	94.9	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	139.8	172.8	-68.9	-77.4	0	0	0	108	V202 S203 H204 L226 V240 F349 F353	V202-I224 HydrophobicContact CG1-CG2 4.17Å; S203-I224 CarbonylContact O-C 3.56Å; H204-I224 HydrophobicContact CB-CD1 4.1Å; I224-L226 HydrophobicContact CG2-CD2 3.81Å; I224-L226 HydrophobicContact CG2-CG 4.29Å; I224-V240 HydrophobicContact CB-CB 4.03Å; I224-V240 HydrophobicContact CG2-CB 4.24Å; I224-V240 PolarHBondContact N-O 2.58Å; I224-V240 PolarHBondContact O-N 2.97Å; I224-F349 HydrophobicContact CD1-CD1 3.7Å; I224-F349 HydrophobicContact CD1-CE1 3.6Å; I224-F349 HydrophobicContact CD1-CZ 4.45Å; I224-F349 HydrophobicContact CG1-CE1 3.94Å; I224-F353 HydrophobicContact CD1-CB 3.89Å; I224-F353 HydrophobicContact CD1-CD1 4.41Å; I224-F353 HydrophobicContact CD1-CG 4.01Å; I224-F353 HydrophobicContact CG1-CB 4.26Å; I224-F353 HydrophobicContact CG1-CD1 4.46Å; I224-F353 HydrophobicContact CG1-CD2 3.98Å; I224-F353 HydrophobicContact CG1-CE2 4.48Å; I224-F353 HydrophobicContact CG1-CG 3.96Å; I224-F353 HydrophobicContact CG2-CD1 3.9Å; I224-F353 HydrophobicContact CG2-CD2 4.48Å; I224-F353 HydrophobicContact CG2-CE1 3.83Å; I224-F353 HydrophobicContact CG2-CE2 4.4Å; I224-F353 HydrophobicContact CG2-CG 4.23Å; I224-F353 HydrophobicContact CG2-CZ 4.09Å
225	R	97.1	Very high	95.1	Very high	13 Å²	13	30.2 Å²	30.2	5%	0.049	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	120.8	175.4	-169.4	-176.8	-63.5	140.8	-6.6	109.9	V202 S203 F227 C237 A238 I563	V202-R225 WeakPolarHBondContact CA-O 3.12Å; S203-R225 PolarHBondContact N-O 2.91Å; S203-R225 PolarHBondContact O-N 3.37Å; R225-F227 VanDerWaalsContact CD-CE2 3.41Å; R225-F227 HydrophobicContact CG-CD2 4.41Å; R225-F227 HydrophobicContact CG-CE2 3.93Å; R225-F227 HydrophobicContact CG-CZ 4.02Å; R225-C237 VanDerWaalsContact CD-SG 3.6Å; R225-C237 WeakPolarHBondContact CG-SG 3.45Å; R225-A238 WeakPolarHBondContact CA-O 3.33Å; R225-I563 VanDerWaalsContact NH1-CG1 3.33Å
226	L	98.2	Very high	95.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.3	173.8	-49.7	177.6	0	0	0	109.1	F197 Q199 V202 I224 C237 A238 V240 F353 M359 L434	F197-L226 HydrophobicContact CE2-CB 4.35Å; F197-L226 HydrophobicContact CZ-CB 4.46Å; Q199-L226 HydrophobicContact CG-CD2 4.46Å; V202-L226 HydrophobicContact CB-CD2 4.26Å; V202-L226 HydrophobicContact CG1-CD2 3.81Å; V202-L226 HydrophobicContact CG2-CD2 3.79Å; I224-L226 HydrophobicContact CG2-CD2 3.81Å; I224-L226 HydrophobicContact CG2-CG 4.29Å; L226-C237 WeakPolarHBondContact O-CA 3.34Å; L226-A238 HydrophobicContact CB-CB 4.22Å; L226-A238 PolarHBondContact N-O 2.83Å; L226-A238 PolarHBondContact O-N 3.47Å; L226-V240 HydrophobicContact CD1-CG2 3.83Å; L226-V240 HydrophobicContact CG-CG2 4Å; L226-F353 HydrophobicContact CD1-CE1 4.49Å; L226-F353 HydrophobicContact CD2-CE1 3.89Å; L226-M359 HydrophobicContact CD1-CE 3.84Å; L226-M359 HydrophobicContact CD2-CE 4.41Å; L226-M359 HydrophobicContact CD2-SD 4.28Å; L226-L434 HydrophobicContact CD1-CD2 3.76Å
227	F	98.2	Very high	95.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	137.7	168.7	-64.9	-80.5	0	0	0	110	Q199 F200 D201 R225 V236 C237 R562 I563 G592	Q199-F227 CarbonylContact C-O 3.47Å; Q199-F227 WeakPolarHBondContact CA-O 3.46Å; F200-F227 HydrophobicContact CE1-CB 4.45Å; F200-F227 HydrophobicContact CE2-CB 4.18Å; F200-F227 HydrophobicContact CZ-CB 3.87Å; F200-F227 PolarHBondContact N-O 3.35Å; D201-F227 HydrophobicContact CB-CB 4.28Å; D201-F227 HydrophobicContact CB-CD2 4.43Å; D201-F227 PolarHBondContact N-O 3.09Å; D201-F227 PolarHBondContact O-N 3.04Å; R225-F227 VanDerWaalsContact CD-CE2 3.41Å; R225-F227 HydrophobicContact CG-CD2 4.41Å; R225-F227 HydrophobicContact CG-CE2 3.93Å; R225-F227 HydrophobicContact CG-CZ 4.02Å; F227-V236 WeakPolarHBondContact CA-O 3.46Å; F227-C237 HydrophobicContact CD1-CB 4.24Å; F227-C237 HydrophobicContact CE1-CB 4.19Å; F227-R562 HydrophobicContact CE1-CB 4.05Å; F227-I563 HydrophobicContact CZ-CG1 4.24Å; F227-G592 VanDerWaalsContact CD2-CA 3.4Å; F227-G592 VanDerWaalsContact CE2-CA 3.48Å; F227-G592 VanDerWaalsContact CG-CA 3.49Å
228	G	97.8	Very high	96.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	178.8	-177.7	0	0	0	0	0	114.7	Q198 V236	Q198-G228 CarbonylContact O-C 3.59Å; Q198-G228 WeakPolarHBondContact O-CA 3.39Å; G228-V236 PolarHBondContact N-O 3Å; G228-V236 VanDerWaalsContact N-O 3.13Å; G228-V236 PolarHBondContact O-N 2.93Å
229	I	98.1	Very high	96.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131.9	-177.4	-60.1	-61.4	0	0	0	110.3	F197 Q198 F200 H234 A447 L449 D530	F197-I229 CarbonylContact C-O 3.59Å; F197-I229 WeakPolarHBondContact CA-O 3.31Å; Q198-I229 PolarHBondContact N-O 2.86Å; Q198-I229 PolarHBondContact O-N 3.28Å; F200-I229 HydrophobicContact CD1-CG1 4.4Å; F200-I229 HydrophobicContact CE1-CD1 4.48Å; F200-I229 HydrophobicContact CE1-CG1 3.93Å; I229-H234 WeakPolarHBondContact CA-O 3.31Å; I229-A447 HydrophobicContact CB-CB 3.95Å; I229-A447 HydrophobicContact CG2-CB 3.96Å; I229-L449 HydrophobicContact CB-CD2 4.24Å; I229-L449 HydrophobicContact CG1-CD2 3.83Å; I229-D530 VanDerWaalsContact CD1-CG 3.44Å; I229-D530 WeakPolarHBondContact CD1-OD1 3.43Å; I229-D530 WeakPolarHBondContact CD1-OD2 3.47Å; I229-D530 WeakPolarHBondContact CG1-OD1 3.36Å; I229-D530 WeakPolarHBondContact CG1-OD2 3.41Å
230	T	97.3	Very high	96.9	Very high	13 Å²	13	18.4 Å²	18.4	8%	0.08	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	163.4	172.5	70.2	0	0	0	0	110.9	F197 K232 G233 H234 V236 I425	F197-T230 HydrophobicContact CB-CG2 4.16Å; T230-K232 PolarHBondContact O-N 3.28Å; T230-K232 VanDerWaalsContact O-N 3.14Å; T230-K232 PolarHBondContact OG1-N 3.39Å; T230-G233 PolarHBondContact O-N 3.01Å; T230-H234 HydrophobicContact CG2-CB 4.11Å; T230-H234 PolarHBondContact N-O 2.92Å; T230-H234 WeakPolarHBondContact OG1-CB 3.49Å; T230-H234 PolarHBondContact OG1-N 2.95Å; T230-V236 HydrophobicContact CG2-CG2 3.59Å; T230-I425 HydrophobicContact CG2-CD1 3.93Å
231	E	94.5	Very high	97.1	Very high	140 Å²	140	17.3 Å²	17.3	65%	0.654	8%	0.083	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-30	174.7	-170	171.5	-154.8	0	0	112.9	G233 W364	E231-G233 PolarHBondContact O-N 3.4Å; E231-W364 HydrophobicContact CB-CH2 3.89Å; E231-W364 HydrophobicContact CB-CZ3 4.27Å
232	K	93.5	Very high	97.2	Very high	144 Å²	144	17.5 Å²	17.5	63%	0.626	9%	0.087	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	1	175	-62.1	-174	179.7	-179.8	0	114.1	T230	T230-K232 PolarHBondContact O-N 3.28Å; T230-K232 VanDerWaalsContact O-N 3.14Å; T230-K232 PolarHBondContact OG1-N 3.39Å
233	G	95	Very high	97.3	Very high	11 Å²	11	17.7 Å²	17.7	11%	0.113	9%	0.088	C	C	.	.			trans	82.2	21	179.4	0	0	0	0	0	115.1	R182 T230 E231	R182-G233 PolarHBondContact NH1-O 3.43Å; T230-G233 PolarHBondContact O-N 3.01Å; E231-G233 PolarHBondContact O-N 3.4Å
234	H	96.9	Very high	97.3	Very high	17 Å²	17	19.1 Å²	19.1	8%	0.079	10%	0.095	C	C	.	.			trans	-86	134.7	175.8	-60.6	-55.7	0	0	0	111.7	R183 L185 I229 T230 Q424 I425	R183-H234 PolarHBondContact O-CE1 2.96Å; R183-H234 VanDerWaalsContact O-CE1 3.31Å; R183-H234 PolarHBondContact O-ND1 3.27Å; L185-H234 HydrophobicContact CD1-CB 4.46Å; I229-H234 WeakPolarHBondContact CA-O 3.31Å; T230-H234 HydrophobicContact CG2-CB 4.11Å; T230-H234 PolarHBondContact N-O 2.92Å; T230-H234 WeakPolarHBondContact OG1-CB 3.49Å; T230-H234 PolarHBondContact OG1-N 2.95Å; H234-Q424 VanDerWaalsContact CA-OE1 3.3Å; H234-Q424 PolarHBondContact ND1-OE1 3.22Å; H234-Q424 VanDerWaalsContact ND1-OE1 3.13Å; H234-I425 HydrophobicContact CB-CD1 4.09Å
235	S	97.8	Very high	97.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	133.3	175.6	55	0	0	0	0	112	C423 Q424 I425 D528	S235-C423 WeakPolarHBondContact OG-CA 3.46Å; S235-Q424 PolarHBondContact O-N 3.18Å; S235-Q424 PolarHBondContact OG-N 3.31Å; S235-I425 PolarHBondContact O-N 3.31Å; S235-D528 VanDerWaalsContact CB-OD2 3.25Å; S235-D528 WeakPolarHBondContact CB-OD2 3.21Å; S235-D528 PolarHBondContact OG-OD2 2.83Å
236	V	98	Very high	97.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	137.7	-174.6	-172.5	0	0	0	0	110.4	I195 F197 F227 G228 T230 I425 F427	I195-V236 HydrophobicContact CG2-CG1 4.43Å; F197-V236 HydrophobicContact CB-CB 4.31Å; F197-V236 HydrophobicContact CB-CG2 3.82Å; F197-V236 HydrophobicContact CD1-CB 4.44Å; F197-V236 HydrophobicContact CD1-CG1 3.89Å; F197-V236 HydrophobicContact CD1-CG2 4.48Å; F197-V236 HydrophobicContact CD2-CB 4.19Å; F197-V236 HydrophobicContact CD2-CG1 4.26Å; F197-V236 HydrophobicContact CE1-CG1 4.02Å; F197-V236 HydrophobicContact CE2-CG1 4.35Å; F197-V236 HydrophobicContact CG-CB 4.06Å; F197-V236 HydrophobicContact CG-CG1 4Å; F197-V236 HydrophobicContact CG-CG2 4.07Å; F197-V236 HydrophobicContact CZ-CG1 4.23Å; F227-V236 WeakPolarHBondContact CA-O 3.46Å; G228-V236 PolarHBondContact N-O 3Å; G228-V236 VanDerWaalsContact N-O 3.13Å; G228-V236 PolarHBondContact O-N 2.93Å; T230-V236 HydrophobicContact CG2-CG2 3.59Å; V236-I425 CarbonylContact C-O 3.58Å; V236-I425 WeakPolarHBondContact CA-O 3.26Å; V236-I425 HydrophobicContact CG1-CB 4.36Å; V236-I425 HydrophobicContact CG1-CG2 4.3Å; V236-I425 HydrophobicContact CG2-CB 4.17Å; V236-I425 HydrophobicContact CG2-CD1 4.09Å; V236-F427 HydrophobicContact CG1-CD1 4.35Å; V236-F427 HydrophobicContact CG1-CE1 3.7Å
237	C	98.1	Very high	97.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	111.8	164.2	175.6	0	0	0	0	109.4	R225 L226 F227 T421 C423 I425 E426 F427	R225-C237 VanDerWaalsContact CD-SG 3.6Å; R225-C237 WeakPolarHBondContact CG-SG 3.45Å; L226-C237 WeakPolarHBondContact O-CA 3.34Å; F227-C237 HydrophobicContact CD1-CB 4.24Å; F227-C237 HydrophobicContact CE1-CB 4.19Å; C237-T421 HydrophobicContact CB-CG2 4.05Å; C237-T421 VanDerWaalsContact SG-CG2 3.58Å; C237-C423 HydrophobicContact CB-CB 3.92Å; C237-I425 PolarHBondContact N-O 3.36Å; C237-E426 HydrophobicContact CB-CG 4.27Å; C237-E426 WeakPolarHBondContact O-CA 3.3Å; C237-F427 PolarHBondContact O-N 2.89Å
238	A	98.2	Very high	97.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	125	172.8	0	0	0	0	0	110	F197 R225 L226 V240 F427	F197-A238 HydrophobicContact CZ-CB 4Å; R225-A238 WeakPolarHBondContact CA-O 3.33Å; L226-A238 HydrophobicContact CB-CB 4.22Å; L226-A238 PolarHBondContact N-O 2.83Å; L226-A238 PolarHBondContact O-N 3.47Å; A238-V240 HydrophobicContact CB-CG2 4.3Å; A238-F427 HydrophobicContact CB-CD2 4.39Å; A238-F427 HydrophobicContact CB-CE1 3.88Å; A238-F427 HydrophobicContact CB-CE2 3.71Å; A238-F427 HydrophobicContact CB-CZ 3.42Å; A238-F427 VanDerWaalsContact CB-CZ 3.42Å
239	H	97.8	Very high	97.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	107.1	170.9	-59.2	-86.3	0	0	0	108.3	Y205 I223 H241 R375 E426 F427 D428 I429	Y205-H239 AromaticContact CE1-ND1 3.55Å; Y205-H239 AromaticContact CZ-ND1 3.74Å; Y205-H239 PolarHBondContact OH-ND1 3.46Å; Y205-H239 VanDerWaalsContact OH-ND1 3.14Å; I223-H239 HydrophobicContact CG2-CB 3.96Å; H239-H241 PolarHBondContact O-CD2 3.08Å; H239-H241 VanDerWaalsContact O-CD2 3.22Å; H239-R375 PolarHBondContact CD2-NH1 3.32Å; H239-R375 PolarHBondContact CE1-NH1 2.97Å; H239-R375 VanDerWaalsContact CE1-NH1 3.3Å; H239-R375 PolarHBondContact NE2-NH1 3.46Å; H239-E426 IonicContact CD2-OE1 2.72Å; H239-E426 IonicContact CE1-OE1 3.55Å; H239-E426 VanDerWaalsContact NE2-CG 3.34Å; H239-E426 WeakPolarHBondContact NE2-CG 3.47Å; H239-E426 IonicContact NE2-OE1 3.91Å; H239-E426 PolarHBondContact NE2-OE1 2.84Å; H239-F427 PolarHBondContact CD2-O 2.75Å; H239-F427 PolarHBondContact N-O 3.09Å; H239-D428 WeakPolarHBondContact CB-OD1 3.41Å; H239-D428 IonicContact CG-OD1 3.6Å; H239-D428 WeakPolarHBondContact O-CA 3.15Å; H239-I429 PolarHBondContact O-N 2.97Å
240	V	98	Very high	97.2	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.006	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	114.8	-171.5	-175.7	0	0	0	0	109.4	I224 L226 A238 F353 I429 W431	I224-V240 HydrophobicContact CB-CB 4.03Å; I224-V240 HydrophobicContact CG2-CB 4.24Å; I224-V240 PolarHBondContact N-O 2.58Å; I224-V240 PolarHBondContact O-N 2.97Å; L226-V240 HydrophobicContact CD1-CG2 3.83Å; L226-V240 HydrophobicContact CG-CG2 4Å; A238-V240 HydrophobicContact CB-CG2 4.3Å; V240-F353 HydrophobicContact CG1-CE2 3.85Å; V240-F353 HydrophobicContact CG1-CZ 4.01Å; V240-I429 CarbonylContact C-O 3.54Å; V240-I429 WeakPolarHBondContact CA-O 3.05Å; V240-I429 HydrophobicContact CB-CG2 4.46Å; V240-I429 HydrophobicContact CG2-CG2 3.93Å; V240-W431 HydrophobicContact CG1-CB 3.57Å
241	H	97.9	Very high	97.1	Very high	6 Å²	6	21.3 Å²	21.3	3%	0.028	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	152.2	-170.2	-68.4	-94.6	0	0	0	113.2	M213 H239 F243 D428 I429 W431	M213-H241 HydrophobicContact CB-CB 3.74Å; M213-H241 HydrophobicContact CG-CB 3.75Å; M213-H241 HydrophobicContact SD-CB 3.99Å; H239-H241 PolarHBondContact O-CD2 3.08Å; H239-H241 VanDerWaalsContact O-CD2 3.22Å; H241-F243 PolarHBondContact O-N 2.98Å; H241-D428 IonicContact CD2-OD1 4Å; H241-D428 IonicContact CE1-OD1 2.63Å; H241-D428 IonicContact NE2-OD1 3.72Å; H241-D428 PolarHBondContact NE2-OD1 2.68Å; H241-I429 PolarHBondContact N-O 3.22Å; H241-W431 WeakPolarHBondContact O-CB 3.24Å; H241-W431 PolarHBondContact O-N 3.23Å
242	G	97.1	Very high	97.1	Very high	15 Å²	15	15.2 Å²	15.2	16%	0.155	8%	0.084	C	C	.	.			trans	85	-2	167.4	0	0	0	0	0	116.5	P214 L244	P214-G242 WeakPolarHBondContact O-CA 3.41Å; G242-L244 PolarHBondContact O-N 2.75Å
243	F	97.8	Very high	96.9	Very high	8 Å²	8	16.4 Å²	16.4	4%	0.035	9%	0.089	C	C	.	.			trans	-74.2	124.1	168.9	-166.5	-106.1	0	0	0	109.8	H241 F349 R352 F353 D356 W431	H241-F243 PolarHBondContact O-N 2.98Å; F243-F349 HydrophobicContact CD1-CD2 4.35Å; F243-F349 HydrophobicContact CD1-CE1 4.44Å; F243-F349 AromaticContact CD1-CE2 3.51Å; F243-F349 HydrophobicContact CD1-CE2 3.51Å; F243-F349 AromaticContact CD1-CZ 3.59Å; F243-F349 HydrophobicContact CD1-CZ 3.59Å; F243-F349 HydrophobicContact CE1-CD2 4.25Å; F243-F349 AromaticContact CE1-CE2 3.77Å; F243-F349 HydrophobicContact CE1-CE2 3.77Å; F243-F349 HydrophobicContact CE1-CZ 4.29Å; F243-F349 WeakPolarHBondContact O-CZ 3.34Å; F243-R352 HydrophobicContact CE1-CB 4.48Å; F243-R352 HydrophobicContact CE1-CG 3.93Å; F243-R352 HydrophobicContact CZ-CG 3.78Å; F243-F353 HydrophobicContact CB-CD2 4.15Å; F243-F353 HydrophobicContact CD1-CB 3.8Å; F243-F353 AromaticContact CD1-CD2 3.91Å; F243-F353 HydrophobicContact CD1-CD2 3.91Å; F243-F353 HydrophobicContact CD1-CG 4.34Å; F243-F353 HydrophobicContact CD2-CD2 4.03Å; F243-F353 VanDerWaalsContact CE1-CA 3.4Å; F243-F353 HydrophobicContact CE1-CB 3.59Å; F243-F353 HydrophobicContact CE1-CD2 4.34Å; F243-F353 HydrophobicContact CE1-CG 4.49Å; F243-F353 HydrophobicContact CE2-CD2 4.43Å; F243-F353 HydrophobicContact CG-CB 4.48Å; F243-F353 AromaticContact CG-CD2 3.75Å; F243-F353 HydrophobicContact CG-CD2 3.75Å; F243-F353 VanDerWaalsContact CZ-CA 3.43Å; F243-F353 HydrophobicContact CZ-CB 4.11Å; F243-D356 HydrophobicContact CE2-CB 3.92Å; F243-D356 HydrophobicContact CZ-CB 4.11Å; F243-W431 HydrophobicContact CB-CB 4.08Å; F243-W431 HydrophobicContact CB-CG 4.07Å; F243-W431 AromaticContact CD2-CD2 3.96Å; F243-W431 HydrophobicContact CD2-CD2 3.96Å; F243-W431 AromaticContact CD2-CE3 3.99Å; F243-W431 HydrophobicContact CD2-CE3 3.99Å; F243-W431 HydrophobicContact CD2-CG 4.28Å; F243-W431 HydrophobicContact CD2-CZ3 4.5Å
244	L	97.7	Very high	96.6	Very high	33 Å²	33	22.1 Å²	22.1	17%	0.173	12%	0.117	C	C	.	.			trans	-115.7	141.6	-173.8	-66.8	172.3	0	0	0	111.8	A216 P222 G242 L287 T312	A216-L244 HydrophobicContact CB-CD2 4.3Å; P222-L244 HydrophobicContact CG-CD2 4.26Å; G242-L244 PolarHBondContact O-N 2.75Å; L244-L287 HydrophobicContact CD1-CD1 3.72Å; L244-L287 HydrophobicContact CD2-CD1 3.91Å; L244-L287 HydrophobicContact CG-CD1 4.4Å; L244-T312 HydrophobicContact CB-CG2 3.67Å; L244-T312 HydrophobicContact CD1-CG2 3.96Å; L244-T312 HydrophobicContact CG-CG2 4.47Å
245	P	97.8	Very high	96.3	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	12%	0.12	C	C	.	.			trans	-69.5	139.7	178.8	28.2	-35.2	0	0	0	111.3	T312 L313 L315 P316 I319 F349	P245-T312 WeakPolarHBondContact O-CA 3.36Å; P245-L313 WeakPolarHBondContact CD-O 3.49Å; P245-L313 HydrophobicContact CG-CB 4.18Å; P245-L313 WeakPolarHBondContact CG-O 3.16Å; P245-L313 PolarHBondContact O-N 3.24Å; P245-L315 VanDerWaalsContact CG-C 3.47Å; P245-P316 HydrophobicContact CB-CB 4.37Å; P245-P316 HydrophobicContact CB-CG 4.21Å; P245-P316 HydrophobicContact CG-CG 4.19Å; P245-I319 HydrophobicContact CB-CD1 4.12Å; P245-F349 HydrophobicContact CB-CD2 3.94Å; P245-F349 HydrophobicContact CB-CE2 3.88Å; P245-F349 HydrophobicContact CG-CE2 4.38Å
246	Y	98.2	Very high	96	Very high	9 Å²	9	24.8 Å²	24.8	4%	0.035	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	159.2	175.1	68.2	-90.2	0	0	0	112.2	Y248 R310 I311 R352 D356	Y246-Y248 AromaticContact CD2-CE2 3.81Å; Y246-Y248 HydrophobicContact CD2-CE2 3.81Å; Y246-Y248 AromaticContact CE2-CE2 3.55Å; Y246-Y248 HydrophobicContact CE2-CE2 3.55Å; Y246-Y248 AromaticContact CE2-CZ 3.75Å; Y246-Y248 WeakPolarHBondContact CE2-OH 3.49Å; Y246-R310 HydrophobicContact CD2-CG 3.88Å; Y246-R310 VanDerWaalsContact CD2-NE 3.33Å; Y246-R310 HydrophobicContact CG-CG 4.29Å; Y246-I311 WeakPolarHBondContact CA-O 3.27Å; Y246-I311 WeakPolarHBondContact CB-O 3.32Å; Y246-R352 HydrophobicContact CE1-CG 4.17Å; Y246-R352 WeakPolarHBondContact OH-CD 3.2Å; Y246-R352 PolarHBondContact OH-NH1 3.28Å; Y246-D356 VanDerWaalsContact CE1-OD2 3.23Å; Y246-D356 WeakPolarHBondContact CE1-OD2 3.45Å; Y246-D356 VanDerWaalsContact CZ-OD2 3.32Å; Y246-D356 VanDerWaalsContact OH-CG 3.26Å; Y246-D356 PolarHBondContact OH-OD1 2.9Å; Y246-D356 PolarHBondContact OH-OD2 3Å
247	F	98.2	Very high	95.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	177	171.1	72	-79	0	0	0	109.2	V249 I311 L313 I319 A322 L326 A342 F343 A345	F247-V249 HydrophobicContact CE2-CG1 3.99Å; F247-I311 HydrophobicContact CD1-CB 4.38Å; F247-I311 HydrophobicContact CE1-CB 3.97Å; F247-I311 HydrophobicContact CE1-CD1 4.34Å; F247-I311 HydrophobicContact CE1-CG2 3.97Å; F247-I311 HydrophobicContact CE2-CD1 3.94Å; F247-I311 HydrophobicContact CZ-CB 4.21Å; F247-I311 HydrophobicContact CZ-CD1 3.7Å; F247-I311 HydrophobicContact CZ-CG2 4.32Å; F247-I311 PolarHBondContact N-O 3.45Å; F247-I311 PolarHBondContact O-N 3.04Å; F247-L313 HydrophobicContact CD1-CD1 4.24Å; F247-L313 HydrophobicContact CE1-CD1 3.85Å; F247-L313 HydrophobicContact CE1-CG 4.46Å; F247-I319 HydrophobicContact CD1-CG2 4.29Å; F247-A322 HydrophobicContact CE1-CB 3.95Å; F247-A322 HydrophobicContact CZ-CB 3.89Å; F247-L326 HydrophobicContact CE2-CD1 3.71Å; F247-L326 HydrophobicContact CZ-CD1 3.54Å; F247-A342 HydrophobicContact CD2-CB 3.97Å; F247-A342 HydrophobicContact CE2-CB 4.06Å; F247-F343 WeakPolarHBondContact CB-O 3.29Å; F247-A345 HydrophobicContact CB-CB 4.06Å; F247-A345 HydrophobicContact CD2-CB 3.99Å; F247-A345 HydrophobicContact CG-CB 4.09Å
248	Y	98.4	Very high	95.3	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	153.6	-175.2	-58.9	-98.8	0	0	0	112.8	Y246 F308 L309 R310 A342 F343 L708	Y246-Y248 AromaticContact CD2-CE2 3.81Å; Y246-Y248 HydrophobicContact CD2-CE2 3.81Å; Y246-Y248 AromaticContact CE2-CE2 3.55Å; Y246-Y248 HydrophobicContact CE2-CE2 3.55Å; Y246-Y248 AromaticContact CE2-CZ 3.75Å; Y246-Y248 WeakPolarHBondContact CE2-OH 3.49Å; Y248-F308 HydrophobicContact CD1-CB 4.29Å; Y248-L309 CarbonylContact C-O 3.57Å; Y248-L309 VanDerWaalsContact CA-O 3.28Å; Y248-L309 WeakPolarHBondContact CA-O 3.45Å; Y248-R310 HydrophobicContact CD1-CB 3.7Å; Y248-R310 HydrophobicContact CD1-CG 4.16Å; Y248-R310 HydrophobicContact CE1-CB 3.51Å; Y248-R310 HydrophobicContact CE1-CG 3.69Å; Y248-A342 WeakPolarHBondContact O-CA 2.92Å; Y248-F343 PolarHBondContact N-O 2.95Å; Y248-F343 PolarHBondContact O-N 2.72Å; Y248-L708 HydrophobicContact CD1-CD1 4.02Å; Y248-L708 HydrophobicContact CD1-CD2 4.29Å; Y248-L708 HydrophobicContact CD2-CD1 4.12Å; Y248-L708 HydrophobicContact CD2-CD2 3.43Å; Y248-L708 VanDerWaalsContact CD2-CD2 3.43Å; Y248-L708 HydrophobicContact CD2-CG 4.4Å; Y248-L708 HydrophobicContact CE1-CD2 4.33Å; Y248-L708 HydrophobicContact CE2-CD2 3.46Å; Y248-L708 VanDerWaalsContact CE2-CD2 3.46Å; Y248-L708 HydrophobicContact CG-CD1 3.7Å; Y248-L708 HydrophobicContact CG-CD2 3.87Å; Y248-L708 HydrophobicContact CG-CG 4.45Å
249	V	97.6	Very high	95.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	153	164.3	-65.1	0	0	0	0	110.2	F247 F263 F308 L309 I311 L326	F247-V249 HydrophobicContact CE2-CG1 3.99Å; V249-F263 HydrophobicContact CG2-CZ 4.17Å; V249-F308 CarbonylContact O-C 3.56Å; V249-F308 WeakPolarHBondContact O-CA 2.92Å; V249-F308 WeakPolarHBondContact O-CD1 3.39Å; V249-L309 HydrophobicContact CG2-CB 3.84Å; V249-L309 HydrophobicContact CG2-CD1 4.28Å; V249-L309 HydrophobicContact CG2-CG 4.34Å; V249-L309 PolarHBondContact N-O 2.85Å; V249-L309 PolarHBondContact O-N 3.33Å; V249-I311 HydrophobicContact CG1-CD1 4.26Å; V249-I311 HydrophobicContact CG2-CD1 3.88Å; V249-L326 HydrophobicContact CG1-CD1 3.95Å
250	P	95.9	Very high	95.1	Very high	43 Å²	43	39.4 Å²	39.4	28%	0.279	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	138.2	172.3	-21.1	32.1	0	0	0	111.2	F308 P341 F343	P250-F308 HydrophobicContact CB-CE1 4.3Å; P250-F308 HydrophobicContact CG-CD1 4.39Å; P250-F308 HydrophobicContact CG-CE1 3.88Å; P250-P341 VanDerWaalsContact CD-O 3.28Å; P250-P341 WeakPolarHBondContact CD-O 3.48Å; P250-F343 HydrophobicContact CG-CE2 3.92Å
251	A	95.4	Very high	95	Very high	17 Å²	17	43.1 Å²	43.1	14%	0.14	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-69.7	139.6	168.8	0	0	0	0	0	109.7	F255 P307 L309	A251-F255 HydrophobicContact CB-CB 4.16Å; A251-F255 HydrophobicContact CB-CD1 4.17Å; A251-F255 HydrophobicContact CB-CG 4.23Å; A251-P307 HydrophobicContact CB-CB 3.87Å; A251-P307 HydrophobicContact CB-CG 4.07Å; A251-P307 VanDerWaalsContact CB-O 3.26Å; A251-P307 WeakPolarHBondContact CB-O 3.33Å; A251-P307 PolarHBondContact N-O 2.99Å; A251-L309 HydrophobicContact CB-CD2 3.85Å; A251-L309 HydrophobicContact CB-CG 4.07Å
252	P	93.5	Very high	94.9	Very high	12 Å²	12	44.6 Å²	44.6	8%	0.078	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-67.1	164.6	176.8	28.1	-30.9	0	0	0	110.7	F255 F332 Y335 Y340	P252-F255 HydrophobicContact CG-CB 4.03Å; P252-F255 HydrophobicContact CG-CD2 3.6Å; P252-F255 HydrophobicContact CG-CE2 4.45Å; P252-F255 HydrophobicContact CG-CG 4.18Å; P252-F255 WeakPolarHBondContact O-CB 3.13Å; P252-F255 PolarHBondContact O-N 3.39Å; P252-F332 HydrophobicContact CG-CZ 4.08Å; P252-Y335 HydrophobicContact CB-CD1 3.94Å; P252-Y335 HydrophobicContact CB-CE1 3.68Å; P252-Y335 HydrophobicContact CG-CD1 4.04Å; P252-Y335 HydrophobicContact CG-CE1 3.74Å; P252-Y335 HydrophobicContact CG-CE2 4.38Å; P252-Y335 HydrophobicContact CG-CG 4.46Å; P252-Y340 HydrophobicContact CB-CE1 4.13Å; P252-Y340 HydrophobicContact CG-CE1 4.13Å
253	K	89.3	Confident	94.9	Very high	170 Å²	170	43.9 Å²	43.9	74%	0.739	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	143.1	177.7	-163.9	-172.6	169.5	-172.7	0	110.6	F255 Y335	K253-F255 PolarHBondContact O-N 2.81Å; K253-Y335 VanDerWaalsContact O-CE1 3.23Å; K253-Y335 WeakPolarHBondContact O-CE1 3.37Å; K253-Y335 PolarHBondContact O-OH 3.45Å
254	D	88.8	Confident	94.9	Very high	131 Å²	131	45.6 Å²	45.6	70%	0.701	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	19.3	177.9	-48.3	-45.7	0	0	0	114.3	S256 Y335	D254-S256 PolarHBondContact O-N 3.05Å; D254-Y335 PolarHBondContact O-OH 3.42Å
255	F	91.1	Very high	94.8	Very high	29 Å²	29	47.4 Å²	47.4	13%	0.127	26%	0.26	C	S	.	.			trans	-73.7	116.8	179.9	-171.7	-88.7	0	0	0	112.2	A251 P252 K253 H259 L260 F263 L309 F332 Y335	A251-F255 HydrophobicContact CB-CB 4.16Å; A251-F255 HydrophobicContact CB-CD1 4.17Å; A251-F255 HydrophobicContact CB-CG 4.23Å; P252-F255 HydrophobicContact CG-CB 4.03Å; P252-F255 HydrophobicContact CG-CD2 3.6Å; P252-F255 HydrophobicContact CG-CE2 4.45Å; P252-F255 HydrophobicContact CG-CG 4.18Å; P252-F255 WeakPolarHBondContact O-CB 3.13Å; P252-F255 PolarHBondContact O-N 3.39Å; K253-F255 PolarHBondContact O-N 2.81Å; F255-H259 HydrophobicContact CD2-CB 3.81Å; F255-H259 HydrophobicContact CE2-CB 3.44Å; F255-H259 VanDerWaalsContact CE2-CB 3.44Å; F255-H259 HydrophobicContact CZ-CB 3.82Å; F255-L260 HydrophobicContact CE1-CD2 3.69Å; F255-L260 HydrophobicContact CE1-CG 4Å; F255-L260 HydrophobicContact CZ-CD2 3.8Å; F255-L260 HydrophobicContact CZ-CG 4.14Å; F255-F263 HydrophobicContact CE2-CB 4.49Å; F255-L309 HydrophobicContact CD1-CD2 3.94Å; F255-L309 HydrophobicContact CE1-CD2 3.38Å; F255-L309 HydrophobicContact CE2-CD1 4.16Å; F255-L309 HydrophobicContact CE2-CD2 4.43Å; F255-L309 HydrophobicContact CZ-CD1 4.01Å; F255-L309 HydrophobicContact CZ-CD2 3.65Å; F255-F332 HydrophobicContact CD2-CE2 4.35Å; F255-F332 HydrophobicContact CD2-CZ 4.25Å; F255-F332 AromaticContact CE2-CE2 3.91Å; F255-F332 HydrophobicContact CE2-CE2 3.91Å; F255-F332 AromaticContact CE2-CZ 3.98Å; F255-F332 HydrophobicContact CE2-CZ 3.98Å; F255-Y335 WeakPolarHBondContact CA-OH 3.44Å; F255-Y335 HydrophobicContact CD2-CE2 4.28Å; F255-Y335 PolarHBondContact N-OH 3.36Å; F255-Y335 VanDerWaalsContact N-OH 3.12Å
256	S	90.3	Very high	94.8	Very high	43 Å²	43	48.3 Å²	48.3	30%	0.301	27%	0.268	S	S	.	.			trans	-96.7	168	168.1	76.8	0	0	0	0	113.6	D254 D258 H259	D254-S256 PolarHBondContact O-N 3.05Å; S256-D258 PolarHBondContact O-N 3.03Å; S256-D258 PolarHBondContact OG-N 3.29Å; S256-D258 PolarHBondContact OG-OD2 3.04Å; S256-H259 PolarHBondContact N-ND1 3.46Å; S256-H259 VanDerWaalsContact N-ND1 3.11Å; S256-H259 PolarHBondContact O-N 3.11Å; S256-H259 PolarHBondContact O-ND1 3.5Å; S256-H259 PolarHBondContact OG-CE1 3.25Å; S256-H259 VanDerWaalsContact OG-CE1 3.31Å; S256-H259 PolarHBondContact OG-ND1 2.81Å; S256-H259 VanDerWaalsContact OG-ND1 3.17Å
257	T	90.4	Very high	94.7	Very high	101 Å²	101	47.9 Å²	47.9	62%	0.62	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.8	174.4	47.3	0	0	0	0	113.8	H259 L260	T257-H259 PolarHBondContact O-N 3.41Å; T257-L260 HydrophobicContact CG2-CD1 4.38Å; T257-L260 WeakPolarHBondContact O-CB 3.44Å; T257-L260 WeakPolarHBondContact O-CG 2.97Å; T257-L260 PolarHBondContact O-N 2.9Å
258	D	92.1	Very high	94.6	Very high	133 Å²	133	48.1 Å²	48.1	71%	0.711	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-24.9	-179.7	-55.1	-40.2	0	0	0	112.1	S256	S256-D258 PolarHBondContact O-N 3.03Å; S256-D258 PolarHBondContact OG-N 3.29Å; S256-D258 PolarHBondContact OG-OD2 3.04Å
259	H	94.8	Very high	94.4	Very high	42 Å²	42	50.8 Å²	50.8	19%	0.194	29%	0.286	C	S	.	.	H	α-helix	trans	-82.3	-12.2	179.5	-55.1	114.2	0	0	0	114	F255 S256 T257 S261 A262 F263 F332	F255-H259 HydrophobicContact CD2-CB 3.81Å; F255-H259 HydrophobicContact CE2-CB 3.44Å; F255-H259 VanDerWaalsContact CE2-CB 3.44Å; F255-H259 HydrophobicContact CZ-CB 3.82Å; S256-H259 PolarHBondContact N-ND1 3.46Å; S256-H259 VanDerWaalsContact N-ND1 3.11Å; S256-H259 PolarHBondContact O-N 3.11Å; S256-H259 PolarHBondContact O-ND1 3.5Å; S256-H259 PolarHBondContact OG-CE1 3.25Å; S256-H259 VanDerWaalsContact OG-CE1 3.31Å; S256-H259 PolarHBondContact OG-ND1 2.81Å; S256-H259 VanDerWaalsContact OG-ND1 3.17Å; T257-H259 PolarHBondContact O-N 3.41Å; H259-S261 VanDerWaalsContact C-N 3.28Å; H259-S261 PolarHBondContact O-N 3.12Å; H259-A262 PolarHBondContact O-N 2.94Å; H259-F263 PolarHBondContact O-N 2.98Å; H259-F332 HydrophobicContact CB-CE2 4.2Å
260	L	96.1	Very high	94.3	Very high	32 Å²	32	54.2 Å²	54.2	17%	0.168	30%	0.303	C	S	.	.	H	α-helix	trans	-57.6	-41.4	-176.9	-72.2	169.1	0	0	0	112.1	F255 T257 R264 V289 C291 L309	F255-L260 HydrophobicContact CE1-CD2 3.69Å; F255-L260 HydrophobicContact CE1-CG 4Å; F255-L260 HydrophobicContact CZ-CD2 3.8Å; F255-L260 HydrophobicContact CZ-CG 4.14Å; T257-L260 HydrophobicContact CG2-CD1 4.38Å; T257-L260 WeakPolarHBondContact O-CB 3.44Å; T257-L260 WeakPolarHBondContact O-CG 2.97Å; T257-L260 PolarHBondContact O-N 2.9Å; L260-R264 VanDerWaalsContact O-CB 3.29Å; L260-R264 WeakPolarHBondContact O-CB 3.42Å; L260-R264 PolarHBondContact O-N 3.39Å; L260-V289 HydrophobicContact CD2-CB 4.44Å; L260-V289 HydrophobicContact CD2-CG1 3.85Å; L260-C291 HydrophobicContact CD2-CB 4.32Å; L260-L309 HydrophobicContact CD2-CD2 4.06Å
261	S	95.8	Very high	94.2	Very high	79 Å²	79	52.2 Å²	52.2	55%	0.552	29%	0.29	S	S	*	.	H	α-helix	trans	-65.8	-45.7	178.1	-172.9	0	0	0	0	111.5	H259 F263 R264 E265	H259-S261 VanDerWaalsContact C-N 3.28Å; H259-S261 PolarHBondContact O-N 3.12Å; S261-F263 PolarHBondContact O-N 3.11Å; S261-R264 PolarHBondContact O-N 3.01Å; S261-E265 WeakPolarHBondContact O-CG 3.36Å; S261-E265 PolarHBondContact O-N 3.41Å
262	A	96.3	Very high	94	Very high	36 Å²	36	55.3 Å²	55.3	30%	0.298	30%	0.304	S	S	.	.	H	α-helix	trans	-62.7	-43	178.1	0	0	0	0	0	112.1	H259 A266 F332 A333	H259-A262 PolarHBondContact O-N 2.94Å; A262-A266 VanDerWaalsContact O-CB 3.31Å; A262-A266 WeakPolarHBondContact O-CB 3.46Å; A262-A266 PolarHBondContact O-N 2.74Å; A262-F332 HydrophobicContact CB-CD2 4.17Å; A262-A333 HydrophobicContact CB-CB 4.21Å
263	F	97.2	Very high	93.9	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-61.5	-48.7	175	-175	-80.2	0	0	0	111.3	V249 F255 H259 S261 E265 A266 L267 V289 L309 I311 L326 L330 F332 Y340	V249-F263 HydrophobicContact CG2-CZ 4.17Å; F255-F263 HydrophobicContact CE2-CB 4.49Å; H259-F263 PolarHBondContact O-N 2.98Å; S261-F263 PolarHBondContact O-N 3.11Å; F263-E265 PolarHBondContact O-N 3Å; F263-A266 PolarHBondContact O-N 2.88Å; F263-L267 HydrophobicContact CE1-CD2 4.18Å; F263-L267 PolarHBondContact O-N 3.25Å; F263-V289 HydrophobicContact CD1-CG1 4.06Å; F263-V289 HydrophobicContact CD1-CG2 4.17Å; F263-L309 HydrophobicContact CD1-CD1 4.2Å; F263-L309 HydrophobicContact CD2-CD1 3.75Å; F263-L309 HydrophobicContact CE1-CD1 4.13Å; F263-L309 HydrophobicContact CE2-CD1 3.69Å; F263-L309 HydrophobicContact CG-CD1 4.03Å; F263-L309 HydrophobicContact CZ-CD1 3.88Å; F263-I311 HydrophobicContact CE1-CD1 3.91Å; F263-I311 HydrophobicContact CE1-CG1 4.25Å; F263-I311 HydrophobicContact CZ-CD1 4.27Å; F263-L326 HydrophobicContact CE1-CD2 4.47Å; F263-L326 HydrophobicContact CE2-CD2 4.44Å; F263-L326 HydrophobicContact CZ-CD2 3.7Å; F263-L330 HydrophobicContact CD2-CD2 4.17Å; F263-L330 HydrophobicContact CE1-CD2 4.44Å; F263-L330 HydrophobicContact CE2-CD2 3.89Å; F263-L330 HydrophobicContact CZ-CD2 4.04Å; F263-F332 HydrophobicContact CB-CD2 4.1Å; F263-F332 HydrophobicContact CB-CE2 4.08Å; F263-F332 HydrophobicContact CB-CG 4.39Å; F263-F332 HydrophobicContact CB-CZ 4.35Å; F263-F332 AromaticContact CD2-CD1 3.84Å; F263-F332 HydrophobicContact CD2-CD1 3.84Å; F263-F332 AromaticContact CD2-CE1 3.38Å; F263-F332 HydrophobicContact CD2-CE1 3.38Å; F263-F332 HydrophobicContact CD2-CE2 4.18Å; F263-F332 HydrophobicContact CD2-CG 4.42Å; F263-F332 AromaticContact CD2-CZ 3.59Å; F263-F332 HydrophobicContact CD2-CZ 3.59Å; F263-F332 AromaticContact CE2-CE1 3.96Å; F263-F332 HydrophobicContact CE2-CE1 3.96Å; F263-F332 HydrophobicContact CE2-CZ 4.44Å; F263-F332 HydrophobicContact CG-CE1 4.42Å; F263-F332 HydrophobicContact CG-CZ 4.47Å; F263-Y340 HydrophobicContact CE2-CE1 4.34Å; F263-Y340 HydrophobicContact CE2-CE2 4.44Å
264	R	97.2	Very high	93.5	Very high	44 Å²	44	56.7 Å²	56.7	17%	0.166	31%	0.309	C	S	.	.	H	α-helix	trans	-56.6	-50.2	178.5	176.1	177.8	166.8	-80	-10	111.2	L260 S261 L267 N268 H284 V286 L287 V289	L260-R264 VanDerWaalsContact O-CB 3.29Å; L260-R264 WeakPolarHBondContact O-CB 3.42Å; L260-R264 PolarHBondContact O-N 3.39Å; S261-R264 PolarHBondContact O-N 3.01Å; R264-L267 PolarHBondContact O-N 2.86Å; R264-N268 WeakPolarHBondContact O-CB 3.29Å; R264-N268 PolarHBondContact O-N 3.19Å; R264-H284 PolarHBondContact NH2-ND1 3.15Å; R264-V286 HydrophobicContact CG-CB 4.23Å; R264-V286 HydrophobicContact CG-CG1 3.91Å; R264-V286 PolarHBondContact NE-O 2.73Å; R264-V286 PolarHBondContact NH2-O 3.18Å; R264-V286 VanDerWaalsContact NH2-O 3.17Å; R264-L287 PolarHBondContact NE-O 3.12Å; R264-V289 HydrophobicContact CB-CB 4.31Å; R264-V289 HydrophobicContact CB-CG2 3.7Å; R264-V289 HydrophobicContact CG-CG2 4.14Å
265	E	96.7	Very high	92.5	Very high	71 Å²	71	60.5 Å²	60.5	33%	0.332	32%	0.32	S	S	.	.	H	α-helix	trans	-67.8	-38.1	-177.7	-70.8	-57	153.9	0	0	112.7	S261 F263 N268 S269	S261-E265 WeakPolarHBondContact O-CG 3.36Å; S261-E265 PolarHBondContact O-N 3.41Å; F263-E265 PolarHBondContact O-N 3Å; E265-N268 PolarHBondContact O-N 2.99Å; E265-S269 VanDerWaalsContact O-CB 3.23Å; E265-S269 WeakPolarHBondContact O-CB 3.18Å; E265-S269 PolarHBondContact O-N 3.48Å; E265-S269 PolarHBondContact O-OG 2.89Å
266	A	96.6	Very high	91.9	Very high	21 Å²	21	61.6 Å²	61.6	17%	0.174	33%	0.331	C	S	.	.	H	α-helix	trans	-63.2	-48	175.7	0	0	0	0	0	111.8	A262 F263 S269 M270 L330 F332	A262-A266 VanDerWaalsContact O-CB 3.31Å; A262-A266 WeakPolarHBondContact O-CB 3.46Å; A262-A266 PolarHBondContact O-N 2.74Å; F263-A266 PolarHBondContact O-N 2.88Å; A266-S269 PolarHBondContact O-N 2.92Å; A266-M270 WeakPolarHBondContact O-CG 3.46Å; A266-M270 PolarHBondContact O-N 3.46Å; A266-L330 HydrophobicContact CB-CD1 4.14Å; A266-L330 HydrophobicContact CB-CD2 4.34Å; A266-L330 HydrophobicContact CB-CG 4.36Å; A266-F332 HydrophobicContact CB-CB 3.63Å
267	L	97	Very high	91.4	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-65.2	-43.1	177.3	-177.6	60	0	0	0	111.6	F263 R264 S269 M270 L271 V286 I311 I325 L326 L330	F263-L267 HydrophobicContact CE1-CD2 4.18Å; F263-L267 PolarHBondContact O-N 3.25Å; R264-L267 PolarHBondContact O-N 2.86Å; L267-S269 VanDerWaalsContact C-N 3.34Å; L267-S269 PolarHBondContact O-N 3.37Å; L267-M270 PolarHBondContact O-N 3.39Å; L267-L271 HydrophobicContact CD1-CD1 4.45Å; L267-L271 HydrophobicContact CG-CD1 4.18Å; L267-L271 WeakPolarHBondContact O-CG 3.23Å; L267-L271 PolarHBondContact O-N 3.33Å; L267-V286 HydrophobicContact CB-CG2 4.25Å; L267-V286 HydrophobicContact CD2-CG2 4.04Å; L267-V286 HydrophobicContact CG-CG2 3.88Å; L267-I311 HydrophobicContact CD2-CD1 4.03Å; L267-I311 HydrophobicContact CD2-CG2 3.92Å; L267-I325 HydrophobicContact CD1-CB 4.39Å; L267-I325 HydrophobicContact CD1-CG2 3.94Å; L267-L326 HydrophobicContact CD1-CD1 4.43Å; L267-L326 HydrophobicContact CD1-CD2 4.17Å; L267-L326 HydrophobicContact CD1-CG 4.06Å; L267-L326 HydrophobicContact CD2-CD1 4.12Å; L267-L326 HydrophobicContact CD2-CD2 4.46Å; L267-L330 HydrophobicContact CB-CD2 4.01Å
268	N	96.1	Very high	90.6	Very high	4 Å²	4	67.2 Å²	67.2	2%	0.021	34%	0.343	C	S	.	.	H	α-helix	trans	-59.4	-45.2	176.7	-171.6	65.4	0	0	0	111.6	R264 E265 M270 L271 L272 L285 V286	R264-N268 WeakPolarHBondContact O-CB 3.29Å; R264-N268 PolarHBondContact O-N 3.19Å; E265-N268 PolarHBondContact O-N 2.99Å; N268-M270 VanDerWaalsContact C-N 3.32Å; N268-M270 PolarHBondContact O-N 3.3Å; N268-L271 PolarHBondContact O-N 3.31Å; N268-L272 WeakPolarHBondContact O-CG 3.32Å; N268-L272 PolarHBondContact O-N 2.91Å; N268-L285 PolarHBondContact OD1-N 3.2Å; N268-V286 HydrophobicContact CB-CB 4.13Å; N268-V286 HydrophobicContact CB-CG2 4Å; N268-V286 PolarHBondContact OD1-N 3.13Å; N268-V286 VanDerWaalsContact OD1-N 3.08Å
269	S	95.1	Very high	90.1	Very high	58 Å²	58	62 Å²	62	41%	0.406	31%	0.313	S	S	.	.	H	α-helix	trans	-62.2	-38.5	177.3	-63.3	0	0	0	0	112.3	E265 A266 L267 K273	E265-S269 VanDerWaalsContact O-CB 3.23Å; E265-S269 WeakPolarHBondContact O-CB 3.18Å; E265-S269 PolarHBondContact O-N 3.48Å; E265-S269 PolarHBondContact O-OG 2.89Å; A266-S269 PolarHBondContact O-N 2.92Å; L267-S269 VanDerWaalsContact C-N 3.34Å; L267-S269 PolarHBondContact O-N 3.37Å; S269-K273 WeakPolarHBondContact O-CG 3.4Å; S269-K273 PolarHBondContact O-N 3.4Å
270	M	94.1	Very high	89.5	Confident	72 Å²	72	67.2 Å²	67.2	36%	0.355	34%	0.338	S	S	.	.	H	α-helix	trans	-69.5	-39.4	176	-72.2	-61.3	-66	0	0	112.3	A266 L267 N268 K273 I325 L330	A266-M270 WeakPolarHBondContact O-CG 3.46Å; A266-M270 PolarHBondContact O-N 3.46Å; L267-M270 PolarHBondContact O-N 3.39Å; N268-M270 VanDerWaalsContact C-N 3.32Å; N268-M270 PolarHBondContact O-N 3.3Å; M270-K273 WeakPolarHBondContact O-CB 3.33Å; M270-K273 PolarHBondContact O-N 3.41Å; M270-K273 HydrophobicContact SD-CD 4.07Å; M270-K273 PolarHBondContact SD-NZ 2.95Å; M270-I325 HydrophobicContact CB-CD1 4.06Å; M270-I325 HydrophobicContact CB-CG2 4.03Å; M270-I325 HydrophobicContact CG-CG2 4.47Å; M270-L330 HydrophobicContact CG-CD1 4.01Å
271	L	93.9	Very high	88.8	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-66.6	-40	175.5	-74.7	168.4	0	0	0	112.4	L267 N268 K273 E274 L285 V286 L313 P321 A322 I325	L267-L271 HydrophobicContact CD1-CD1 4.45Å; L267-L271 HydrophobicContact CG-CD1 4.18Å; L267-L271 WeakPolarHBondContact O-CG 3.23Å; L267-L271 PolarHBondContact O-N 3.33Å; N268-L271 PolarHBondContact O-N 3.31Å; L271-K273 PolarHBondContact O-N 3.19Å; L271-E274 WeakPolarHBondContact O-CB 3.23Å; L271-E274 PolarHBondContact O-N 3.45Å; L271-L285 HydrophobicContact CB-CB 4.4Å; L271-L285 HydrophobicContact CB-CD1 3.79Å; L271-L285 HydrophobicContact CD1-CB 4.44Å; L271-V286 HydrophobicContact CD1-CG2 3.65Å; L271-L313 HydrophobicContact CD1-CD2 4.28Å; L271-P321 HydrophobicContact CD2-CB 3.68Å; L271-A322 HydrophobicContact CD1-CB 4.18Å; L271-A322 HydrophobicContact CD2-CB 4.22Å; L271-I325 HydrophobicContact CD2-CD1 3.64Å; L271-I325 HydrophobicContact CG-CD1 3.95Å
272	L	92	Very high	88.4	Confident	83 Å²	83	65.2 Å²	65.2	44%	0.435	33%	0.334	S	S	.	.	H	α-helix	trans	-64.3	-23.3	177.5	-75.2	170.7	0	0	0	113.2	N268 E274 L285	N268-L272 WeakPolarHBondContact O-CG 3.32Å; N268-L272 PolarHBondContact O-N 2.91Å; L272-E274 VanDerWaalsContact C-N 3.26Å; L272-E274 PolarHBondContact O-N 3.39Å; L272-L285 HydrophobicContact CD2-CD1 3.82Å; L272-L285 HydrophobicContact CD2-CG 3.93Å; L272-L285 HydrophobicContact CG-CD1 4.12Å; L272-L285 HydrophobicContact CG-CG 4.36Å
273	K	90.2	Very high	87.9	Confident	151 Å²	151	70 Å²	70	66%	0.657	35%	0.35	S	S	*	.	H	α-helix	trans	-69.8	-24.4	172.3	-69.1	170	-172.4	174.3	0	112.3	S269 M270 L271 K275	S269-K273 WeakPolarHBondContact O-CG 3.4Å; S269-K273 PolarHBondContact O-N 3.4Å; M270-K273 WeakPolarHBondContact O-CB 3.33Å; M270-K273 PolarHBondContact O-N 3.41Å; M270-K273 HydrophobicContact SD-CD 4.07Å; M270-K273 PolarHBondContact SD-NZ 2.95Å; L271-K273 PolarHBondContact O-N 3.19Å; K273-K275 PolarHBondContact O-N 3.19Å
274	E	81.5	Confident	87.6	Confident	59 Å²	59	73.5 Å²	73.5	28%	0.276	37%	0.366	S	S	.	.	S	Bend	trans	-75.7	90.2	172.3	-62.8	-161.8	-177.8	0	0	109.4	L271 L272 S276 P321 R324	L271-E274 WeakPolarHBondContact O-CB 3.23Å; L271-E274 PolarHBondContact O-N 3.45Å; L272-E274 VanDerWaalsContact C-N 3.26Å; L272-E274 PolarHBondContact O-N 3.39Å; E274-S276 PolarHBondContact O-N 2.86Å; E274-P321 WeakPolarHBondContact OE2-CB 3.3Å; E274-R324 IonicContact OE1-CZ 2.91Å; E274-R324 IonicContact OE1-NE 3.5Å; E274-R324 IonicContact OE1-NH2 3.48Å; E274-R324 PolarHBondContact OE1-NH2 2.77Å; E274-R324 IonicContact OE2-NH2 2.72Å; E274-R324 PolarHBondContact OE2-NH2 3.33Å
275	K	67.8	Low	87.4	Confident	212 Å²	212	71.5 Å²	71.5	92%	0.922	36%	0.359	S	S	*	.			trans	-58.8	108.4	174.9	-68.8	-173.1	179	-177	0	110	K273	K273-K275 PolarHBondContact O-N 3.19Å
276	S	79.4	Confident	87.4	Confident	51 Å²	51	68.1 Å²	68.1	36%	0.357	34%	0.343	S	S	.	.			trans	-135.2	130.1	172.6	-179.6	0	0	0	0	110.1	E274 E278 F279	E274-S276 PolarHBondContact O-N 2.86Å; S276-E278 PolarHBondContact O-N 3.31Å; S276-E278 WeakPolarHBondContact OG-CB 3.43Å; S276-E278 PolarHBondContact OG-N 3.36Å; S276-F279 PolarHBondContact O-N 3.22Å
277	K	79.3	Confident	87.4	Confident	191 Å²	191	69.3 Å²	69.3	83%	0.83	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-57.5	-20.5	172.4	-66.6	-172.7	177.1	-174.2	0	112.4	F279	K277-F279 VanDerWaalsContact C-N 3.25Å; K277-F279 PolarHBondContact O-N 2.73Å
278	E	74	Confident	87.3	Confident	72 Å²	72	75.6 Å²	75.6	34%	0.336	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-72.5	-15.5	-177.2	-67.2	-148	-177.8	0	0	115.4	K206 S276 R317	K206-E278 PolarHBondContact NZ-O 3.43Å; K206-E278 IonicContact NZ-OE2 2.91Å; K206-E278 PolarHBondContact NZ-OE2 3.42Å; S276-E278 PolarHBondContact O-N 3.31Å; S276-E278 WeakPolarHBondContact OG-CB 3.43Å; S276-E278 PolarHBondContact OG-N 3.36Å; E278-R317 IonicContact OE1-CZ 3.68Å; E278-R317 IonicContact OE1-NH1 3.98Å; E278-R317 PolarHBondContact OE1-NH1 3.43Å; E278-R317 WeakPolarHBondContact OE2-CD 3.38Å; E278-R317 IonicContact OE2-CZ 3.62Å; E278-R317 IonicContact OE2-NE 3.9Å; E278-R317 IonicContact OE2-NH1 2.8Å; E278-R317 PolarHBondContact OE2-NH1 2.88Å
279	F	81.3	Confident	87.4	Confident	23 Å²	23	75.9 Å²	75.9	10%	0.101	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-115.4	8.9	-175	-46.4	-39.8	0	0	0	112.1	S276 K277 L282 L285 L315 L318	S276-F279 PolarHBondContact O-N 3.22Å; K277-F279 VanDerWaalsContact C-N 3.25Å; K277-F279 PolarHBondContact O-N 2.73Å; F279-L282 WeakPolarHBondContact O-CB 3.33Å; F279-L282 PolarHBondContact O-N 3.27Å; F279-L285 HydrophobicContact CB-CD2 3.88Å; F279-L285 HydrophobicContact CD2-CD1 4.42Å; F279-L285 HydrophobicContact CG-CD2 4.37Å; F279-L315 HydrophobicContact CD1-CD1 4.18Å; F279-L318 HydrophobicContact CD1-CD2 3.8Å; F279-L318 HydrophobicContact CD1-CG 4.12Å; F279-L318 HydrophobicContact CD2-CD2 3.86Å; F279-L318 HydrophobicContact CE1-CD2 3.51Å; F279-L318 HydrophobicContact CE1-CG 3.75Å; F279-L318 HydrophobicContact CE2-CD2 3.57Å; F279-L318 HydrophobicContact CG-CD2 3.99Å; F279-L318 HydrophobicContact CZ-CD2 3.4Å; F279-L318 VanDerWaalsContact CZ-CD2 3.4Å; F279-L318 HydrophobicContact CZ-CG 4.04Å
280	E	81.4	Confident	87.5	Confident	151 Å²	151	74.9 Å²	74.9	71%	0.706	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	136	179.4	-169.4	169.6	-169	0	0	110.8
281	G	82.9	Confident	87.7	Confident	55 Å²	55	73.9 Å²	73.9	57%	0.567	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.3	-17.5	-175.1	0	0	0	0	0	115.1	Q218	Q218-G281 PolarHBondContact NE2-O 3.39Å; Q218-G281 VanDerWaalsContact NE2-O 3.13Å
282	L	86.6	Confident	87.8	Confident	15 Å²	15	76 Å²	76	8%	0.079	37%	0.373	C	S	.	.			trans	-89.1	126	178.6	-60.1	174.8	0	0	0	111.7	Q218 P220 F279 L285 A314 L315	Q218-L282 HydrophobicContact CG-CD2 4.18Å; P220-L282 HydrophobicContact CG-CG 4.44Å; F279-L282 WeakPolarHBondContact O-CB 3.33Å; F279-L282 PolarHBondContact O-N 3.27Å; L282-L285 HydrophobicContact CB-CD2 3.63Å; L282-L285 HydrophobicContact CD1-CD2 3.8Å; L282-L285 HydrophobicContact CG-CD2 4.37Å; L282-A314 HydrophobicContact CD1-CB 3.86Å; L282-L315 HydrophobicContact CD1-CD1 3.85Å; L282-L315 HydrophobicContact CD1-CG 4.21Å
283	Q	84.9	Confident	88	Confident	136 Å²	136	77.3 Å²	77.3	64%	0.636	38%	0.377	S	S	*	.	S	Bend	trans	-89	-32.2	172.7	-70.3	172.6	-0.8	0	0	111.6
284	H	90.9	Very high	88.3	Confident	73 Å²	73	71.5 Å²	71.5	34%	0.338	35%	0.352	S	S	.	.			trans	-122.5	110.9	177.7	-60.7	-69.7	0	0	0	110.3	R264	R264-H284 PolarHBondContact NH2-ND1 3.15Å
285	L	94.2	Very high	88.9	Confident	2 Å²	2	70 Å²	70	1%	0.01	35%	0.345	C	S	.	.	S	Bend	trans	-84.5	-33.9	175.7	-56.7	-176.7	0	0	0	111.4	N268 L271 L272 F279 L282 L313 A314 L318	N268-L285 PolarHBondContact OD1-N 3.2Å; L271-L285 HydrophobicContact CB-CB 4.4Å; L271-L285 HydrophobicContact CB-CD1 3.79Å; L271-L285 HydrophobicContact CD1-CB 4.44Å; L272-L285 HydrophobicContact CD2-CD1 3.82Å; L272-L285 HydrophobicContact CD2-CG 3.93Å; L272-L285 HydrophobicContact CG-CD1 4.12Å; L272-L285 HydrophobicContact CG-CG 4.36Å; F279-L285 HydrophobicContact CB-CD2 3.88Å; F279-L285 HydrophobicContact CD2-CD1 4.42Å; F279-L285 HydrophobicContact CG-CD2 4.37Å; L282-L285 HydrophobicContact CB-CD2 3.63Å; L282-L285 HydrophobicContact CD1-CD2 3.8Å; L282-L285 HydrophobicContact CG-CD2 4.37Å; L285-L313 WeakPolarHBondContact O-CA 3.49Å; L285-A314 PolarHBondContact O-N 3.25Å; L285-L318 HydrophobicContact CB-CD1 3.93Å; L285-L318 HydrophobicContact CB-CD2 4.25Å; L285-L318 HydrophobicContact CD1-CD2 4.04Å; L285-L318 HydrophobicContact CD2-CD1 4.2Å; L285-L318 HydrophobicContact CD2-CD2 4.43Å; L285-L318 HydrophobicContact CG-CD2 4.48Å
286	V	96.7	Very high	90.1	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	106.8	168.6	-169.8	0	0	0	0	108.3	R264 L267 N268 L271 V289 I311 L313	R264-V286 HydrophobicContact CG-CB 4.23Å; R264-V286 HydrophobicContact CG-CG1 3.91Å; R264-V286 PolarHBondContact NE-O 2.73Å; R264-V286 PolarHBondContact NH2-O 3.18Å; R264-V286 VanDerWaalsContact NH2-O 3.17Å; L267-V286 HydrophobicContact CB-CG2 4.25Å; L267-V286 HydrophobicContact CD2-CG2 4.04Å; L267-V286 HydrophobicContact CG-CG2 3.88Å; N268-V286 HydrophobicContact CB-CB 4.13Å; N268-V286 HydrophobicContact CB-CG2 4Å; N268-V286 PolarHBondContact OD1-N 3.13Å; N268-V286 VanDerWaalsContact OD1-N 3.08Å; L271-V286 HydrophobicContact CD1-CG2 3.65Å; V286-V289 HydrophobicContact CG1-CG2 3.8Å; V286-I311 HydrophobicContact CG1-CG2 4Å; V286-L313 HydrophobicContact CB-CD2 4.48Å; V286-L313 HydrophobicContact CG2-CD2 3.99Å
287	L	95.6	Very high	90.8	Very high	46 Å²	46	59.3 Å²	59.3	24%	0.241	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-46.4	-175.4	-63.4	179.9	0	0	0	111.1	A216 L244 R264 T312 A314	A216-L287 HydrophobicContact CB-CD1 3.79Å; A216-L287 HydrophobicContact CB-CD2 4.43Å; L244-L287 HydrophobicContact CD1-CD1 3.72Å; L244-L287 HydrophobicContact CD2-CD1 3.91Å; L244-L287 HydrophobicContact CG-CD1 4.4Å; R264-L287 PolarHBondContact NE-O 3.12Å; L287-T312 PolarHBondContact N-O 3.16Å; L287-A314 HydrophobicContact CD1-CB 4.24Å; L287-A314 HydrophobicContact CD2-CB 4.16Å; L287-A314 HydrophobicContact CG-CB 4.11Å
288	R	96.3	Very high	91.5	Very high	132 Å²	132	51.9 Å²	51.9	50%	0.498	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	145.3	-175.4	-166.2	172.9	66.4	-178.2	2.3	110.8	T290 T312	R288-T290 HydrophobicContact CG-CG2 3.93Å; R288-T312 PolarHBondContact N-O 3.13Å; R288-T312 PolarHBondContact O-N 3.42Å
289	V	97.9	Very high	92.4	Very high	11 Å²	11	48.5 Å²	48.5	7%	0.067	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123	165.8	-176.4	0	0	0	0	106.9	L260 F263 R264 V286 L309 R310	L260-V289 HydrophobicContact CD2-CB 4.44Å; L260-V289 HydrophobicContact CD2-CG1 3.85Å; F263-V289 HydrophobicContact CD1-CG1 4.06Å; F263-V289 HydrophobicContact CD1-CG2 4.17Å; R264-V289 HydrophobicContact CB-CB 4.31Å; R264-V289 HydrophobicContact CB-CG2 3.7Å; R264-V289 HydrophobicContact CG-CG2 4.14Å; V286-V289 HydrophobicContact CG1-CG2 3.8Å; V289-L309 HydrophobicContact CG1-CB 4.06Å; V289-R310 VanDerWaalsContact CA-O 3.32Å; V289-R310 WeakPolarHBondContact CA-O 3.47Å
290	T	97.4	Very high	93	Very high	37 Å²	37	47.9 Å²	47.9	23%	0.227	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	153.3	175.1	53.1	0	0	0	0	109.7	R288 L309 R310	R288-T290 HydrophobicContact CG-CG2 3.93Å; T290-L309 CarbonylContact O-C 3.57Å; T290-L309 VanDerWaalsContact O-CA 3.31Å; T290-L309 WeakPolarHBondContact O-CA 3.28Å; T290-R310 PolarHBondContact N-O 3.35Å; T290-R310 PolarHBondContact O-N 3.18Å
291	C	96.8	Very high	93.4	Very high	50 Å²	50	43.2 Å²	43.2	34%	0.338	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127	172.1	-163.7	0	0	0	0	108.9	L260 P307 F308 L309	L260-C291 HydrophobicContact CD2-CB 4.32Å; C291-P307 VanDerWaalsContact SG-CB 3.6Å; C291-F308 CarbonylContact C-O 3.54Å; C291-F308 WeakPolarHBondContact CA-O 3.22Å; C291-L309 HydrophobicContact CB-CD2 4.29Å
292	E	95.9	Very high	93.7	Very high	45 Å²	45	41.6 Å²	41.6	21%	0.21	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	140	179.9	-63.4	-176.3	-163.3	0	0	109.9	K294 F308 R310	E292-K294 HydrophobicContact CB-CG 4.33Å; E292-K294 PolarHBondContact O-N 2.93Å; E292-K294 WeakPolarHBondContact OE2-CE 3.07Å; E292-K294 IonicContact OE2-NZ 2.63Å; E292-F308 PolarHBondContact N-O 2.98Å; E292-F308 PolarHBondContact O-N 3.17Å; E292-R310 WeakPolarHBondContact OE1-CD 3.49Å; E292-R310 IonicContact OE1-CZ 3.96Å; E292-R310 IonicContact OE1-NE 2.69Å; E292-R310 IonicContact OE1-NH1 3.37Å; E292-R310 PolarHBondContact OE1-NH1 3.06Å; E292-R310 VanDerWaalsContact OE1-NH1 3.1Å
293	E	96.2	Very high	93.8	Very high	112 Å²	112	44.6 Å²	44.6	52%	0.523	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	116.8	173.7	-72.2	-60.2	145	0	0	109.9	S305 L306	E293-S305 WeakPolarHBondContact OE2-CB 3.37Å; E293-L306 PolarHBondContact OE2-N 2.75Å
294	K	96.7	Very high	94	Very high	28 Å²	28	45.4 Å²	45.4	12%	0.122	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	165.4	-177.1	-61.6	-69.6	-176.5	-176.6	0	111.4	E292 S305 L306 F308 G706 L708	E292-K294 HydrophobicContact CB-CG 4.33Å; E292-K294 PolarHBondContact O-N 2.93Å; E292-K294 WeakPolarHBondContact OE2-CE 3.07Å; E292-K294 IonicContact OE2-NZ 2.63Å; K294-S305 WeakPolarHBondContact O-CA 3.24Å; K294-L306 PolarHBondContact N-O 3.48Å; K294-L306 PolarHBondContact O-N 2.87Å; K294-F308 HydrophobicContact CB-CB 4.49Å; K294-F308 HydrophobicContact CB-CD2 3.71Å; K294-F308 HydrophobicContact CB-CE2 4.24Å; K294-F308 HydrophobicContact CB-CG 4.28Å; K294-G706 WeakPolarHBondContact CA-O 3.47Å; K294-L708 HydrophobicContact CB-CD1 3.64Å; K294-L708 HydrophobicContact CB-CG 3.83Å; K294-L708 HydrophobicContact CD-CD2 4.45Å; K294-L708 HydrophobicContact CD-CG 4.45Å; K294-L708 HydrophobicContact CG-CD1 3.88Å; K294-L708 HydrophobicContact CG-CD2 4.37Å; K294-L708 HydrophobicContact CG-CG 4.05Å
295	Q	94.9	Very high	94	Very high	29 Å²	29	44.5 Å²	44.5	14%	0.136	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.9	176.5	-64.6	-175.1	66	0	0	110.9	I297 G706 Y707 L708	Q295-I297 PolarHBondContact O-N 2.88Å; Q295-G706 PolarHBondContact N-O 3.42Å; Q295-Y707 HydrophobicContact CB-CD1 3.43Å; Q295-Y707 VanDerWaalsContact CB-CD1 3.43Å; Q295-Y707 HydrophobicContact CB-CE1 3.56Å; Q295-Y707 HydrophobicContact CB-CG 4.29Å; Q295-Y707 HydrophobicContact CG-CE1 4.39Å; Q295-Y707 CarbonylContact O-C 3.46Å; Q295-Y707 VanDerWaalsContact O-CA 3.24Å; Q295-Y707 WeakPolarHBondContact O-CA 3.33Å; Q295-L708 PolarHBondContact O-N 2.93Å
296	N	93.6	Very high	93.9	Very high	37 Å²	37	49.1 Å²	49.1	20%	0.198	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	126.6	167.3	176.8	9.2	0	0	0	108.8	Y298 F343	N296-Y298 PolarHBondContact ND2-O 2.81Å; N296-Y298 PolarHBondContact O-N 2.87Å; N296-Y298 PolarHBondContact OD1-N 3.06Å; N296-F343 HydrophobicContact CB-CE1 4.15Å
297	I	94.3	Very high	93.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-65.3	-27.1	177.9	-158.4	179.1	0	0	0	112.7	Q295 G299 L698 A702 Y707 L708 L709 Y757 T758 L863	Q295-I297 PolarHBondContact O-N 2.88Å; I297-G299 PolarHBondContact O-N 3.31Å; I297-L698 HydrophobicContact CD1-CD2 4.24Å; I297-A702 HydrophobicContact CD1-CB 4.25Å; I297-Y707 HydrophobicContact CB-CD1 4.32Å; I297-Y707 HydrophobicContact CB-CG 4.46Å; I297-Y707 HydrophobicContact CG1-CD1 4.46Å; I297-Y707 HydrophobicContact CG1-CG 4.37Å; I297-L708 WeakPolarHBondContact CG2-O 3.49Å; I297-L708 PolarHBondContact N-O 3.05Å; I297-L708 VanDerWaalsContact N-O 3.1Å; I297-L709 HydrophobicContact CD1-CD1 4.38Å; I297-L709 HydrophobicContact CG2-CG 4.36Å; I297-Y757 CarbonylContact O-C 3.51Å; I297-Y757 WeakPolarHBondContact O-CB 3.5Å; I297-T758 HydrophobicContact CB-CG2 4.42Å; I297-T758 HydrophobicContact CG1-CG2 3.48Å; I297-T758 VanDerWaalsContact CG1-CG2 3.48Å; I297-T758 WeakPolarHBondContact O-CA 3.12Å; I297-T758 PolarHBondContact O-N 3.37Å; I297-T758 VanDerWaalsContact O-N 3.13Å; I297-L863 HydrophobicContact CG2-CD2 4.33Å
298	Y	92.6	Very high	94	Very high	35 Å²	35	49.5 Å²	49.5	14%	0.137	25%	0.248	C	C	.	.	S	Bend	trans	-92	102.5	-171	-156.9	-76.4	0	0	0	111.4	N296 H301 Y757 L863 P864 C865	N296-Y298 PolarHBondContact ND2-O 2.81Å; N296-Y298 PolarHBondContact O-N 2.87Å; N296-Y298 PolarHBondContact OD1-N 3.06Å; Y298-H301 PolarHBondContact O-CE1 3Å; Y298-H301 VanDerWaalsContact O-CE1 3.32Å; Y298-Y757 AromaticContact CD2-CD1 3.77Å; Y298-Y757 HydrophobicContact CD2-CD1 3.77Å; Y298-Y757 HydrophobicContact CD2-CE1 4.38Å; Y298-Y757 AromaticContact CE2-CD1 3.83Å; Y298-Y757 HydrophobicContact CE2-CD1 3.83Å; Y298-Y757 HydrophobicContact CE2-CE1 4.14Å; Y298-L863 HydrophobicContact CD2-CD1 3.8Å; Y298-L863 HydrophobicContact CD2-CG 4.22Å; Y298-L863 HydrophobicContact CE2-CD1 4.23Å; Y298-L863 HydrophobicContact CE2-CG 4.44Å; Y298-P864 PolarHBondContact OH-O 3.38Å; Y298-C865 HydrophobicContact CE2-CB 4.43Å
299	G	92.5	Very high	94	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.021	22%	0.224	C	C	.	.	S	Bend	trans	96.1	148.2	-176.2	0	0	0	0	0	112.6	I297 H301 Y757 L760	I297-G299 PolarHBondContact O-N 3.31Å; G299-H301 PolarHBondContact O-CE1 3.03Å; G299-H301 PolarHBondContact O-ND1 3.22Å; G299-Y757 CarbonylContact C-O 3.55Å; G299-Y757 WeakPolarHBondContact CA-O 3.39Å; G299-Y757 PolarHBondContact N-O 3.14Å; G299-L760 CarbonylContact C-O 3.4Å; G299-L760 WeakPolarHBondContact CA-O 3.45Å
300	F	94.2	Very high	94.1	Very high	10 Å²	10	45.1 Å²	45.1	4%	0.044	23%	0.23	C	C	.	.			trans	-78.5	123.2	174.7	179.4	-109.9	0	0	0	110.8	G302 T758 L760 L761 Y782 L784 V799 I803 C804	F300-G302 VanDerWaalsContact CZ-CA 3.43Å; F300-T758 WeakPolarHBondContact CA-O 3.46Å; F300-T758 WeakPolarHBondContact CB-O 3.39Å; F300-T758 WeakPolarHBondContact CD2-O 3.28Å; F300-L760 PolarHBondContact N-O 2.99Å; F300-L761 HydrophobicContact CB-CD2 4.21Å; F300-L761 HydrophobicContact CD1-CD2 3.74Å; F300-L761 HydrophobicContact CG-CD2 4.4Å; F300-Y782 AromaticContact CD1-CD2 3.96Å; F300-Y782 HydrophobicContact CD1-CD2 3.96Å; F300-Y782 HydrophobicContact CD1-CE2 4.25Å; F300-Y782 HydrophobicContact CD1-CG 4.25Å; F300-Y782 HydrophobicContact CE1-CD1 4.48Å; F300-Y782 HydrophobicContact CE1-CD2 4.12Å; F300-Y782 AromaticContact CE1-CG 3.97Å; F300-Y782 HydrophobicContact CE1-CG 3.97Å; F300-Y782 PolarHBondContact O-OH 3.03Å; F300-L784 HydrophobicContact CE1-CD1 4.41Å; F300-L784 HydrophobicContact CE1-CD2 4.42Å; F300-V799 HydrophobicContact CD1-CG1 3.76Å; F300-V799 HydrophobicContact CD2-CG1 4.47Å; F300-V799 HydrophobicContact CD2-CG2 3.83Å; F300-V799 HydrophobicContact CE1-CG1 3.86Å; F300-V799 HydrophobicContact CE2-CG2 4.05Å; F300-V799 HydrophobicContact CG-CG1 4.05Å; F300-V799 HydrophobicContact CG-CG2 4.09Å; F300-V799 HydrophobicContact CZ-CG1 4.27Å; F300-V799 HydrophobicContact CZ-CG2 4.48Å; F300-I803 HydrophobicContact CE1-CG2 4.47Å; F300-I803 HydrophobicContact CE2-CG2 4.1Å; F300-I803 HydrophobicContact CZ-CG2 3.64Å; F300-C804 HydrophobicContact CD2-CB 4.25Å; F300-C804 HydrophobicContact CE2-CB 3.87Å
301	H	91.2	Very high	94.1	Very high	53 Å²	53	43.3 Å²	43.3	25%	0.245	22%	0.219	C	C	.	.			trans	-113.2	21.9	-176.8	-67.8	80.3	0	0	0	113.4	Y298 G299 R304	Y298-H301 PolarHBondContact O-CE1 3Å; Y298-H301 VanDerWaalsContact O-CE1 3.32Å; G299-H301 PolarHBondContact O-CE1 3.03Å; G299-H301 PolarHBondContact O-ND1 3.22Å; H301-R304 PolarHBondContact O-N 3.36Å
302	G	89.2	Confident	94.2	Very high	21 Å²	21	41.3 Å²	41.3	22%	0.216	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	74	28.5	178.4	0	0	0	0	0	114	F300 R304	F300-G302 VanDerWaalsContact CZ-CA 3.43Å; G302-R304 WeakPolarHBondContact O-CG 3.4Å; G302-R304 PolarHBondContact O-N 3.21Å
303	N	87.7	Confident	94.2	Very high	77 Å²	77	39.1 Å²	39.1	41%	0.412	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	25.1	-172.6	-59.2	-32.8	0	0	0	113.6	I803	N303-I803 PolarHBondContact ND2-O 2.86Å
304	R	88.4	Confident	94.2	Very high	153 Å²	153	33.9 Å²	33.9	58%	0.577	17%	0.171	S	C	*	.			trans	-90.2	121.9	179.4	-60.9	-175.1	-173.3	177	4	109.4	H301 G302	H301-R304 PolarHBondContact O-N 3.36Å; G302-R304 WeakPolarHBondContact O-CG 3.4Å; G302-R304 PolarHBondContact O-N 3.21Å
305	S	91.9	Very high	94.2	Very high	55 Å²	55	32.6 Å²	32.6	39%	0.385	17%	0.166	S	C	.	.			trans	-72	146.1	162.8	-60.9	0	0	0	0	110.2	E293 K294	E293-S305 WeakPolarHBondContact OE2-CB 3.37Å; K294-S305 WeakPolarHBondContact O-CA 3.24Å
306	L	92.9	Very high	94.2	Very high	98 Å²	98	32.2 Å²	32.2	51%	0.513	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	155.1	170.9	-65.5	174	0	0	0	108.6	E293 K294 F308	E293-L306 PolarHBondContact OE2-N 2.75Å; K294-L306 PolarHBondContact N-O 3.48Å; K294-L306 PolarHBondContact O-N 2.87Å; L306-F308 HydrophobicContact CB-CE2 4.07Å; L306-F308 VanDerWaalsContact O-CD2 3.26Å; L306-F308 WeakPolarHBondContact O-CD2 3.25Å; L306-F308 PolarHBondContact O-N 3.41Å
307	P	95.6	Very high	94.3	Very high	48 Å²	48	37.1 Å²	37.1	31%	0.312	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	124.8	173.7	26.1	-33.3	0	0	0	110.7	A251 C291	A251-P307 HydrophobicContact CB-CB 3.87Å; A251-P307 HydrophobicContact CB-CG 4.07Å; A251-P307 VanDerWaalsContact CB-O 3.26Å; A251-P307 WeakPolarHBondContact CB-O 3.33Å; A251-P307 PolarHBondContact N-O 2.99Å; C291-P307 VanDerWaalsContact SG-CB 3.6Å
308	F	97.3	Very high	94.3	Very high	7 Å²	7	37.1 Å²	37.1	3%	0.031	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141.1	171.5	-78.2	-100.4	0	0	0	110.5	Y248 V249 P250 C291 E292 K294 L306 F343 L708	Y248-F308 HydrophobicContact CD1-CB 4.29Å; V249-F308 CarbonylContact O-C 3.56Å; V249-F308 WeakPolarHBondContact O-CA 2.92Å; V249-F308 WeakPolarHBondContact O-CD1 3.39Å; P250-F308 HydrophobicContact CB-CE1 4.3Å; P250-F308 HydrophobicContact CG-CD1 4.39Å; P250-F308 HydrophobicContact CG-CE1 3.88Å; C291-F308 CarbonylContact C-O 3.54Å; C291-F308 WeakPolarHBondContact CA-O 3.22Å; E292-F308 PolarHBondContact N-O 2.98Å; E292-F308 PolarHBondContact O-N 3.17Å; K294-F308 HydrophobicContact CB-CB 4.49Å; K294-F308 HydrophobicContact CB-CD2 3.71Å; K294-F308 HydrophobicContact CB-CE2 4.24Å; K294-F308 HydrophobicContact CB-CG 4.28Å; L306-F308 HydrophobicContact CB-CE2 4.07Å; L306-F308 VanDerWaalsContact O-CD2 3.26Å; L306-F308 WeakPolarHBondContact O-CD2 3.25Å; L306-F308 PolarHBondContact O-N 3.41Å; F308-F343 HydrophobicContact CD1-CD2 4.39Å; F308-F343 HydrophobicContact CE1-CD1 4.46Å; F308-F343 AromaticContact CE1-CD2 3.75Å; F308-F343 HydrophobicContact CE1-CD2 3.75Å; F308-F343 HydrophobicContact CE1-CE1 4.41Å; F308-F343 AromaticContact CE1-CE2 3.7Å; F308-F343 HydrophobicContact CE1-CE2 3.7Å; F308-F343 HydrophobicContact CE1-CG 4.16Å; F308-F343 HydrophobicContact CE1-CZ 4.04Å; F308-F343 HydrophobicContact CZ-CE2 4.43Å; F308-F343 HydrophobicContact CZ-CZ 4.36Å; F308-L708 HydrophobicContact CB-CD1 4.13Å; F308-L708 HydrophobicContact CD1-CD1 3.57Å; F308-L708 HydrophobicContact CD2-CD1 4.11Å; F308-L708 HydrophobicContact CE1-CD1 3.94Å; F308-L708 HydrophobicContact CE2-CD1 4.43Å; F308-L708 HydrophobicContact CG-CD1 3.67Å; F308-L708 HydrophobicContact CZ-CD1 4.36Å
309	L	97.9	Very high	94.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	114.9	171.7	-49.5	-176.9	0	0	0	109	Y248 V249 A251 F255 L260 F263 V289 T290 C291	Y248-L309 CarbonylContact C-O 3.57Å; Y248-L309 VanDerWaalsContact CA-O 3.28Å; Y248-L309 WeakPolarHBondContact CA-O 3.45Å; V249-L309 HydrophobicContact CG2-CB 3.84Å; V249-L309 HydrophobicContact CG2-CD1 4.28Å; V249-L309 HydrophobicContact CG2-CG 4.34Å; V249-L309 PolarHBondContact N-O 2.85Å; V249-L309 PolarHBondContact O-N 3.33Å; A251-L309 HydrophobicContact CB-CD2 3.85Å; A251-L309 HydrophobicContact CB-CG 4.07Å; F255-L309 HydrophobicContact CD1-CD2 3.94Å; F255-L309 HydrophobicContact CE1-CD2 3.38Å; F255-L309 HydrophobicContact CE2-CD1 4.16Å; F255-L309 HydrophobicContact CE2-CD2 4.43Å; F255-L309 HydrophobicContact CZ-CD1 4.01Å; F255-L309 HydrophobicContact CZ-CD2 3.65Å; L260-L309 HydrophobicContact CD2-CD2 4.06Å; F263-L309 HydrophobicContact CD1-CD1 4.2Å; F263-L309 HydrophobicContact CD2-CD1 3.75Å; F263-L309 HydrophobicContact CE1-CD1 4.13Å; F263-L309 HydrophobicContact CE2-CD1 3.69Å; F263-L309 HydrophobicContact CG-CD1 4.03Å; F263-L309 HydrophobicContact CZ-CD1 3.88Å; V289-L309 HydrophobicContact CG1-CB 4.06Å; T290-L309 CarbonylContact O-C 3.57Å; T290-L309 VanDerWaalsContact O-CA 3.31Å; T290-L309 WeakPolarHBondContact O-CA 3.28Å; C291-L309 HydrophobicContact CB-CD2 4.29Å
310	R	98.1	Very high	94.6	Very high	50 Å²	50	39.4 Å²	39.4	19%	0.189	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	117.7	168.5	-177.2	179.9	174.6	-177.4	2.6	109.1	Y246 Y248 V289 T290 E292	Y246-R310 HydrophobicContact CD2-CG 3.88Å; Y246-R310 VanDerWaalsContact CD2-NE 3.33Å; Y246-R310 HydrophobicContact CG-CG 4.29Å; Y248-R310 HydrophobicContact CD1-CB 3.7Å; Y248-R310 HydrophobicContact CD1-CG 4.16Å; Y248-R310 HydrophobicContact CE1-CB 3.51Å; Y248-R310 HydrophobicContact CE1-CG 3.69Å; V289-R310 VanDerWaalsContact CA-O 3.32Å; V289-R310 WeakPolarHBondContact CA-O 3.47Å; T290-R310 PolarHBondContact N-O 3.35Å; T290-R310 PolarHBondContact O-N 3.18Å; E292-R310 WeakPolarHBondContact OE1-CD 3.49Å; E292-R310 IonicContact OE1-CZ 3.96Å; E292-R310 IonicContact OE1-NE 2.69Å; E292-R310 IonicContact OE1-NH1 3.37Å; E292-R310 PolarHBondContact OE1-NH1 3.06Å; E292-R310 VanDerWaalsContact OE1-NH1 3.1Å
311	I	98.5	Very high	94.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	110.1	-177.5	-58.3	167.5	0	0	0	108.1	Y246 F247 V249 F263 L267 V286 L313 L326	Y246-I311 WeakPolarHBondContact CA-O 3.27Å; Y246-I311 WeakPolarHBondContact CB-O 3.32Å; F247-I311 HydrophobicContact CD1-CB 4.38Å; F247-I311 HydrophobicContact CE1-CB 3.97Å; F247-I311 HydrophobicContact CE1-CD1 4.34Å; F247-I311 HydrophobicContact CE1-CG2 3.97Å; F247-I311 HydrophobicContact CE2-CD1 3.94Å; F247-I311 HydrophobicContact CZ-CB 4.21Å; F247-I311 HydrophobicContact CZ-CD1 3.7Å; F247-I311 HydrophobicContact CZ-CG2 4.32Å; F247-I311 PolarHBondContact N-O 3.45Å; F247-I311 PolarHBondContact O-N 3.04Å; V249-I311 HydrophobicContact CG1-CD1 4.26Å; V249-I311 HydrophobicContact CG2-CD1 3.88Å; F263-I311 HydrophobicContact CE1-CD1 3.91Å; F263-I311 HydrophobicContact CE1-CG1 4.25Å; F263-I311 HydrophobicContact CZ-CD1 4.27Å; L267-I311 HydrophobicContact CD2-CD1 4.03Å; L267-I311 HydrophobicContact CD2-CG2 3.92Å; V286-I311 HydrophobicContact CG1-CG2 4Å; I311-L313 HydrophobicContact CG2-CD2 3.99Å; I311-L313 HydrophobicContact CG2-CG 4.3Å; I311-L326 HydrophobicContact CD1-CD1 3.55Å
312	T	98.2	Very high	94.9	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.043	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	125.1	175.1	-52.5	0	0	0	0	110	L244 P245 L287 R288	L244-T312 HydrophobicContact CB-CG2 3.67Å; L244-T312 HydrophobicContact CD1-CG2 3.96Å; L244-T312 HydrophobicContact CG-CG2 4.47Å; P245-T312 WeakPolarHBondContact O-CA 3.36Å; L287-T312 PolarHBondContact N-O 3.16Å; R288-T312 PolarHBondContact N-O 3.13Å; R288-T312 PolarHBondContact O-N 3.42Å
313	L	97.4	Very high	95.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	159.5	-175.4	-62.9	171.8	0	0	0	111.4	P245 F247 L271 L285 V286 I311 L318 I319 A322	P245-L313 WeakPolarHBondContact CD-O 3.49Å; P245-L313 HydrophobicContact CG-CB 4.18Å; P245-L313 WeakPolarHBondContact CG-O 3.16Å; P245-L313 PolarHBondContact O-N 3.24Å; F247-L313 HydrophobicContact CD1-CD1 4.24Å; F247-L313 HydrophobicContact CE1-CD1 3.85Å; F247-L313 HydrophobicContact CE1-CG 4.46Å; L271-L313 HydrophobicContact CD1-CD2 4.28Å; L285-L313 WeakPolarHBondContact O-CA 3.49Å; V286-L313 HydrophobicContact CB-CD2 4.48Å; V286-L313 HydrophobicContact CG2-CD2 3.99Å; I311-L313 HydrophobicContact CG2-CD2 3.99Å; I311-L313 HydrophobicContact CG2-CG 4.3Å; L313-L318 HydrophobicContact CB-CB 4.22Å; L313-L318 HydrophobicContact CB-CD1 4.41Å; L313-L318 HydrophobicContact CD1-CB 3.81Å; L313-L318 HydrophobicContact CD2-CB 4.43Å; L313-L318 HydrophobicContact CG-CB 4.4Å; L313-I319 HydrophobicContact CD1-CB 4.38Å; L313-I319 HydrophobicContact CD1-CG1 3.82Å; L313-A322 HydrophobicContact CD1-CB 4.17Å; L313-A322 HydrophobicContact CD2-CB 4.49Å
314	A	95.7	Very high	95.6	Very high	2 Å²	2	40.2 Å²	40.2	2%	0.017	20%	0.196	C	C	.	.	S	Bend	trans	-70	-33.5	177.9	0	0	0	0	0	113.3	P222 L282 L285 L287 L318	P222-A314 VanDerWaalsContact CD-O 3.23Å; P222-A314 WeakPolarHBondContact CD-O 3.49Å; L282-A314 HydrophobicContact CD1-CB 3.86Å; L285-A314 PolarHBondContact O-N 3.25Å; L287-A314 HydrophobicContact CD1-CB 4.24Å; L287-A314 HydrophobicContact CD2-CB 4.16Å; L287-A314 HydrophobicContact CG-CB 4.11Å; A314-L318 HydrophobicContact CB-CD1 4.1Å
315	L	95.8	Very high	95.9	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.172	C	C	.	.	S	Bend	trans	-144.5	144.6	-173.8	-68.1	173.9	0	0	0	111.7	K206 P220 P222 P245 F279 L282 R317 L318	K206-L315 HydrophobicContact CD-CD1 4.22Å; K206-L315 HydrophobicContact CD-CD2 4.39Å; K206-L315 HydrophobicContact CG-CD2 4.27Å; P220-L315 HydrophobicContact CG-CD1 4.3Å; P222-L315 HydrophobicContact CB-CD2 4.45Å; P245-L315 VanDerWaalsContact CG-C 3.47Å; F279-L315 HydrophobicContact CD1-CD1 4.18Å; L282-L315 HydrophobicContact CD1-CD1 3.85Å; L282-L315 HydrophobicContact CD1-CG 4.21Å; L315-R317 PolarHBondContact O-N 3.42Å; L315-R317 VanDerWaalsContact O-N 3.16Å; L315-L318 HydrophobicContact CB-CD1 4.17Å; L315-L318 HydrophobicContact CB-CG 4.41Å; L315-L318 WeakPolarHBondContact O-CB 3.18Å; L315-L318 PolarHBondContact O-N 3.36Å
316	P	96	Very high	96.2	Very high	20 Å²	20	31 Å²	31	13%	0.13	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-59.2	-32.6	-176.4	-28.6	35.5	0	0	0	113.8	P222 P245 L318 I319 F349	P222-P316 HydrophobicContact CB-CG 4.29Å; P245-P316 HydrophobicContact CB-CB 4.37Å; P245-P316 HydrophobicContact CB-CG 4.21Å; P245-P316 HydrophobicContact CG-CG 4.19Å; P316-L318 PolarHBondContact O-N 2.86Å; P316-I319 WeakPolarHBondContact O-CB 3.49Å; P316-I319 VanDerWaalsContact O-CG1 3.27Å; P316-I319 WeakPolarHBondContact O-CG1 3.2Å; P316-I319 PolarHBondContact O-N 3.25Å; P316-I319 VanDerWaalsContact O-N 3.14Å; P316-F349 HydrophobicContact CB-CB 4.13Å; P316-F349 HydrophobicContact CB-CD2 4.45Å; P316-F349 HydrophobicContact CB-CG 4.15Å; P316-F349 HydrophobicContact CG-CB 4.08Å; P316-F349 HydrophobicContact CG-CD1 3.65Å; P316-F349 HydrophobicContact CG-CD2 3.85Å; P316-F349 HydrophobicContact CG-CE1 3.97Å; P316-F349 HydrophobicContact CG-CE2 4.17Å; P316-F349 HydrophobicContact CG-CG 3.58Å; P316-F349 HydrophobicContact CG-CZ 4.21Å
317	R	94.3	Very high	96.2	Very high	140 Å²	140	28.4 Å²	28.4	53%	0.528	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-67.3	-13.5	178.9	-68.3	-177.3	179.9	174	0.5	114.1	E278 L315 I319 P321	E278-R317 IonicContact OE1-CZ 3.68Å; E278-R317 IonicContact OE1-NH1 3.98Å; E278-R317 PolarHBondContact OE1-NH1 3.43Å; E278-R317 WeakPolarHBondContact OE2-CD 3.38Å; E278-R317 IonicContact OE2-CZ 3.62Å; E278-R317 IonicContact OE2-NE 3.9Å; E278-R317 IonicContact OE2-NH1 2.8Å; E278-R317 PolarHBondContact OE2-NH1 2.88Å; L315-R317 PolarHBondContact O-N 3.42Å; L315-R317 VanDerWaalsContact O-N 3.16Å; R317-I319 VanDerWaalsContact C-N 3.3Å; R317-P321 VanDerWaalsContact O-CD 3.25Å; R317-P321 WeakPolarHBondContact O-CD 3.32Å
318	L	95.3	Very high	96.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-76.3	-15.9	174.1	-70.2	165.2	0	0	0	112.9	F279 L285 L313 A314 L315 P316 A320 P321 A322	F279-L318 HydrophobicContact CD1-CD2 3.8Å; F279-L318 HydrophobicContact CD1-CG 4.12Å; F279-L318 HydrophobicContact CD2-CD2 3.86Å; F279-L318 HydrophobicContact CE1-CD2 3.51Å; F279-L318 HydrophobicContact CE1-CG 3.75Å; F279-L318 HydrophobicContact CE2-CD2 3.57Å; F279-L318 HydrophobicContact CG-CD2 3.99Å; F279-L318 HydrophobicContact CZ-CD2 3.4Å; F279-L318 VanDerWaalsContact CZ-CD2 3.4Å; F279-L318 HydrophobicContact CZ-CG 4.04Å; L285-L318 HydrophobicContact CB-CD1 3.93Å; L285-L318 HydrophobicContact CB-CD2 4.25Å; L285-L318 HydrophobicContact CD1-CD2 4.04Å; L285-L318 HydrophobicContact CD2-CD1 4.2Å; L285-L318 HydrophobicContact CD2-CD2 4.43Å; L285-L318 HydrophobicContact CG-CD2 4.48Å; L313-L318 HydrophobicContact CB-CB 4.22Å; L313-L318 HydrophobicContact CB-CD1 4.41Å; L313-L318 HydrophobicContact CD1-CB 3.81Å; L313-L318 HydrophobicContact CD2-CB 4.43Å; L313-L318 HydrophobicContact CG-CB 4.4Å; A314-L318 HydrophobicContact CB-CD1 4.1Å; L315-L318 HydrophobicContact CB-CD1 4.17Å; L315-L318 HydrophobicContact CB-CG 4.41Å; L315-L318 WeakPolarHBondContact O-CB 3.18Å; L315-L318 PolarHBondContact O-N 3.36Å; P316-L318 PolarHBondContact O-N 2.86Å; L318-A320 PolarHBondContact O-N 3.3Å; L318-P321 WeakPolarHBondContact O-CD 3.43Å; L318-A322 WeakPolarHBondContact O-CB 3.42Å; L318-A322 PolarHBondContact O-N 2.83Å
319	I	96.2	Very high	96	Very high	18 Å²	18	32.3 Å²	32.3	9%	0.092	16%	0.162	C	C	.	.	H	α-helix	trans	-60.6	-46.2	-177.3	-64.5	173.9	0	0	0	111.2	P245 F247 L313 P316 R317 A322 K323 A345	P245-I319 HydrophobicContact CB-CD1 4.12Å; F247-I319 HydrophobicContact CD1-CG2 4.29Å; L313-I319 HydrophobicContact CD1-CB 4.38Å; L313-I319 HydrophobicContact CD1-CG1 3.82Å; P316-I319 WeakPolarHBondContact O-CB 3.49Å; P316-I319 VanDerWaalsContact O-CG1 3.27Å; P316-I319 WeakPolarHBondContact O-CG1 3.2Å; P316-I319 PolarHBondContact O-N 3.25Å; P316-I319 VanDerWaalsContact O-N 3.14Å; R317-I319 VanDerWaalsContact C-N 3.3Å; I319-A322 PolarHBondContact O-N 3.33Å; I319-K323 VanDerWaalsContact O-CB 3.24Å; I319-K323 WeakPolarHBondContact O-CB 3.49Å; I319-K323 PolarHBondContact O-N 3.48Å; I319-A345 HydrophobicContact CG2-CB 3.8Å; I319-A345 WeakPolarHBondContact CG2-O 3.46Å
320	A	94.7	Very high	95.9	Very high	68 Å²	68	32.6 Å²	32.6	56%	0.562	16%	0.163	S	C	*	.	H	α-helix	trans	-67	-46.9	-176.5	0	0	0	0	0	113.3	L318 R324	L318-A320 PolarHBondContact O-N 3.3Å; A320-R324 WeakPolarHBondContact O-CB 3.49Å; A320-R324 PolarHBondContact O-N 3.17Å
321	P	95	Very high	95.7	Very high	17 Å²	17	33.5 Å²	33.5	11%	0.11	18%	0.177	C	C	.	.	H	α-helix	trans	-56.1	-47.4	168.5	-29.8	37.1	0	0	0	113.9	L271 E274 R317 L318 K323 R324 I325	L271-P321 HydrophobicContact CD2-CB 3.68Å; E274-P321 WeakPolarHBondContact OE2-CB 3.3Å; R317-P321 VanDerWaalsContact O-CD 3.25Å; R317-P321 WeakPolarHBondContact O-CD 3.32Å; L318-P321 WeakPolarHBondContact O-CD 3.43Å; P321-K323 PolarHBondContact O-N 3.1Å; P321-R324 PolarHBondContact O-N 3.11Å; P321-I325 WeakPolarHBondContact O-CG1 3.41Å; P321-I325 PolarHBondContact O-N 3.08Å
322	A	96.6	Very high	95.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.9	-47	-178.3	0	0	0	0	0	111.2	F247 L271 L313 L318 I319 R324 I325 L326	F247-A322 HydrophobicContact CE1-CB 3.95Å; F247-A322 HydrophobicContact CZ-CB 3.89Å; L271-A322 HydrophobicContact CD1-CB 4.18Å; L271-A322 HydrophobicContact CD2-CB 4.22Å; L313-A322 HydrophobicContact CD1-CB 4.17Å; L313-A322 HydrophobicContact CD2-CB 4.49Å; L318-A322 WeakPolarHBondContact O-CB 3.42Å; L318-A322 PolarHBondContact O-N 2.83Å; I319-A322 PolarHBondContact O-N 3.33Å; A322-R324 PolarHBondContact O-N 3.07Å; A322-I325 PolarHBondContact O-N 3.18Å; A322-L326 WeakPolarHBondContact O-CB 3.22Å; A322-L326 WeakPolarHBondContact O-CD1 3.27Å; A322-L326 WeakPolarHBondContact O-CG 3.49Å; A322-L326 PolarHBondContact O-N 3.1Å
323	K	96	Very high	95.1	Very high	36 Å²	36	37 Å²	37	16%	0.157	20%	0.204	C	C	.	.	H	α-helix	trans	-55	-49.3	172.9	175.8	-175.7	-175	-58.1	0	111.5	I319 P321 I325 L326 D327 A342 A345 T711	I319-K323 VanDerWaalsContact O-CB 3.24Å; I319-K323 WeakPolarHBondContact O-CB 3.49Å; I319-K323 PolarHBondContact O-N 3.48Å; P321-K323 PolarHBondContact O-N 3.1Å; K323-I325 PolarHBondContact O-N 3.47Å; K323-L326 PolarHBondContact O-N 2.84Å; K323-D327 IonicContact NZ-OD2 3.06Å; K323-D327 PolarHBondContact NZ-OD2 2.83Å; K323-D327 WeakPolarHBondContact O-CB 3.3Å; K323-D327 VanDerWaalsContact O-CG 3.27Å; K323-D327 PolarHBondContact O-N 3.28Å; K323-A342 HydrophobicContact CB-CB 4.4Å; K323-A342 HydrophobicContact CD-CB 4.27Å; K323-A342 HydrophobicContact CG-CB 3.8Å; K323-A345 HydrophobicContact CB-CB 4.37Å; K323-A345 HydrophobicContact CD-CB 3.93Å; K323-A345 HydrophobicContact CG-CB 4.39Å; K323-T711 HydrophobicContact CD-CG2 4.16Å
324	R	95.2	Very high	94.7	Very high	124 Å²	124	44.6 Å²	44.6	47%	0.468	25%	0.245	S	C	.	.	H	α-helix	trans	-61.4	-43.4	-179.2	179	179.4	61.7	-145.9	-4.1	112.2	E274 A320 P321 A322 L326 N328	E274-R324 IonicContact OE1-CZ 2.91Å; E274-R324 IonicContact OE1-NE 3.5Å; E274-R324 IonicContact OE1-NH2 3.48Å; E274-R324 PolarHBondContact OE1-NH2 2.77Å; E274-R324 IonicContact OE2-NH2 2.72Å; E274-R324 PolarHBondContact OE2-NH2 3.33Å; A320-R324 WeakPolarHBondContact O-CB 3.49Å; A320-R324 PolarHBondContact O-N 3.17Å; P321-R324 PolarHBondContact O-N 3.11Å; A322-R324 PolarHBondContact O-N 3.07Å; R324-L326 VanDerWaalsContact C-N 3.32Å; R324-N328 WeakPolarHBondContact O-CB 3.39Å; R324-N328 VanDerWaalsContact O-CG 3.22Å; R324-N328 PolarHBondContact O-N 3.38Å; R324-N328 PolarHBondContact O-ND2 3.23Å
325	I	96.4	Very high	94.5	Very high	15 Å²	15	46.2 Å²	46.2	8%	0.077	25%	0.251	C	S	.	.	H	α-helix	trans	-60.6	-46.3	176	-70.5	163.4	0	0	0	109.9	L267 M270 L271 P321 A322 K323 N328 G329 L330	L267-I325 HydrophobicContact CD1-CB 4.39Å; L267-I325 HydrophobicContact CD1-CG2 3.94Å; M270-I325 HydrophobicContact CB-CD1 4.06Å; M270-I325 HydrophobicContact CB-CG2 4.03Å; M270-I325 HydrophobicContact CG-CG2 4.47Å; L271-I325 HydrophobicContact CD2-CD1 3.64Å; L271-I325 HydrophobicContact CG-CD1 3.95Å; P321-I325 WeakPolarHBondContact O-CG1 3.41Å; P321-I325 PolarHBondContact O-N 3.08Å; A322-I325 PolarHBondContact O-N 3.18Å; K323-I325 PolarHBondContact O-N 3.47Å; I325-N328 PolarHBondContact O-N 2.99Å; I325-G329 CarbonylContact O-C 3.55Å; I325-G329 PolarHBondContact O-N 3.13Å; I325-L330 HydrophobicContact CG2-CD1 4.43Å
326	L	96.9	Very high	94.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-67.5	-40.2	-178.5	-71.8	167.4	0	0	0	112.9	F247 V249 F263 L267 I311 A322 K323 R324 N328 G329 L330 S339 Y340	F247-L326 HydrophobicContact CE2-CD1 3.71Å; F247-L326 HydrophobicContact CZ-CD1 3.54Å; V249-L326 HydrophobicContact CG1-CD1 3.95Å; F263-L326 HydrophobicContact CE1-CD2 4.47Å; F263-L326 HydrophobicContact CE2-CD2 4.44Å; F263-L326 HydrophobicContact CZ-CD2 3.7Å; L267-L326 HydrophobicContact CD1-CD1 4.43Å; L267-L326 HydrophobicContact CD1-CD2 4.17Å; L267-L326 HydrophobicContact CD1-CG 4.06Å; L267-L326 HydrophobicContact CD2-CD1 4.12Å; L267-L326 HydrophobicContact CD2-CD2 4.46Å; I311-L326 HydrophobicContact CD1-CD1 3.55Å; A322-L326 WeakPolarHBondContact O-CB 3.22Å; A322-L326 WeakPolarHBondContact O-CD1 3.27Å; A322-L326 WeakPolarHBondContact O-CG 3.49Å; A322-L326 PolarHBondContact O-N 3.1Å; K323-L326 PolarHBondContact O-N 2.84Å; R324-L326 VanDerWaalsContact C-N 3.32Å; L326-N328 VanDerWaalsContact C-N 3.34Å; L326-G329 PolarHBondContact O-N 3.16Å; L326-L330 HydrophobicContact CD2-CB 4.32Å; L326-L330 HydrophobicContact CD2-CD2 4.08Å; L326-S339 CarbonylContact O-C 3.54Å; L326-S339 WeakPolarHBondContact O-CA 3.48Å; L326-Y340 HydrophobicContact CD2-CD2 4.02Å; L326-Y340 HydrophobicContact CD2-CG 4.28Å; L326-Y340 PolarHBondContact O-N 3.43Å
327	D	93.8	Very high	94.2	Very high	44 Å²	44	55.3 Å²	55.3	24%	0.235	31%	0.305	C	S	.	.	H	α-helix	trans	-65.5	-35.3	174.5	-70.3	-24	0	0	0	112.1	K323 G329 S339	K323-D327 IonicContact NZ-OD2 3.06Å; K323-D327 PolarHBondContact NZ-OD2 2.83Å; K323-D327 WeakPolarHBondContact O-CB 3.3Å; K323-D327 VanDerWaalsContact O-CG 3.27Å; K323-D327 PolarHBondContact O-N 3.28Å; D327-G329 VanDerWaalsContact C-N 3.34Å; D327-S339 WeakPolarHBondContact O-CB 3.47Å; D327-S339 PolarHBondContact O-OG 3Å
328	N	94.6	Very high	94.1	Very high	127 Å²	127	52 Å²	52	68%	0.679	30%	0.296	S	S	*	.	H	α-helix	trans	-78.8	-22.7	176.5	-70.4	-17.6	0	0	0	112.8	R324 I325 L326	R324-N328 WeakPolarHBondContact O-CB 3.39Å; R324-N328 VanDerWaalsContact O-CG 3.22Å; R324-N328 PolarHBondContact O-N 3.38Å; R324-N328 PolarHBondContact O-ND2 3.23Å; I325-N328 PolarHBondContact O-N 2.99Å; L326-N328 VanDerWaalsContact C-N 3.34Å
329	G	94.4	Very high	94.1	Very high	10 Å²	10	55 Å²	55	10%	0.103	32%	0.317	C	S	.	.			trans	116.3	148.6	171.9	0	0	0	0	0	114.7	I325 L326 D327 L337 Q338	I325-G329 CarbonylContact O-C 3.55Å; I325-G329 PolarHBondContact O-N 3.13Å; L326-G329 PolarHBondContact O-N 3.16Å; D327-G329 VanDerWaalsContact C-N 3.34Å; G329-L337 VanDerWaalsContact C-CD1 3.44Å; G329-L337 WeakPolarHBondContact O-CD1 3.23Å; G329-Q338 CarbonylContact C-O 3.51Å; G329-Q338 WeakPolarHBondContact CA-O 3.43Å
330	L	95.4	Very high	94	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.026	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	140.2	179.1	-173.8	71.5	0	0	0	109.8	F263 A266 L267 M270 I325 L326 F332 Q338 Y340	F263-L330 HydrophobicContact CD2-CD2 4.17Å; F263-L330 HydrophobicContact CE1-CD2 4.44Å; F263-L330 HydrophobicContact CE2-CD2 3.89Å; F263-L330 HydrophobicContact CZ-CD2 4.04Å; A266-L330 HydrophobicContact CB-CD1 4.14Å; A266-L330 HydrophobicContact CB-CD2 4.34Å; A266-L330 HydrophobicContact CB-CG 4.36Å; L267-L330 HydrophobicContact CB-CD2 4.01Å; M270-L330 HydrophobicContact CG-CD1 4.01Å; I325-L330 HydrophobicContact CG2-CD1 4.43Å; L326-L330 HydrophobicContact CD2-CB 4.32Å; L326-L330 HydrophobicContact CD2-CD2 4.08Å; L330-F332 HydrophobicContact CD2-CD1 4.33Å; L330-F332 HydrophobicContact CG-CD1 4.43Å; L330-Q338 PolarHBondContact N-O 3.47Å; L330-Q338 PolarHBondContact O-N 2.84Å; L330-Y340 HydrophobicContact CB-CD2 4.17Å; L330-Y340 HydrophobicContact CB-CE2 3.9Å
331	S	93.6	Very high	94	Very high	70 Å²	70	54.5 Å²	54.5	49%	0.49	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135	172.3	59.1	0	0	0	0	110	Y335	S331-Y335 WeakPolarHBondContact CA-O 3.24Å
332	F	93.7	Very high	94	Very high	12 Å²	12	54 Å²	54	5%	0.053	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	148.8	179.2	65.5	-82.5	0	0	0	110.3	P252 F255 H259 A262 F263 A266 L330 D334 Y335 Y340	P252-F332 HydrophobicContact CG-CZ 4.08Å; F255-F332 HydrophobicContact CD2-CE2 4.35Å; F255-F332 HydrophobicContact CD2-CZ 4.25Å; F255-F332 AromaticContact CE2-CE2 3.91Å; F255-F332 HydrophobicContact CE2-CE2 3.91Å; F255-F332 AromaticContact CE2-CZ 3.98Å; F255-F332 HydrophobicContact CE2-CZ 3.98Å; H259-F332 HydrophobicContact CB-CE2 4.2Å; A262-F332 HydrophobicContact CB-CD2 4.17Å; F263-F332 HydrophobicContact CB-CD2 4.1Å; F263-F332 HydrophobicContact CB-CE2 4.08Å; F263-F332 HydrophobicContact CB-CG 4.39Å; F263-F332 HydrophobicContact CB-CZ 4.35Å; F263-F332 AromaticContact CD2-CD1 3.84Å; F263-F332 HydrophobicContact CD2-CD1 3.84Å; F263-F332 AromaticContact CD2-CE1 3.38Å; F263-F332 HydrophobicContact CD2-CE1 3.38Å; F263-F332 HydrophobicContact CD2-CE2 4.18Å; F263-F332 HydrophobicContact CD2-CG 4.42Å; F263-F332 AromaticContact CD2-CZ 3.59Å; F263-F332 HydrophobicContact CD2-CZ 3.59Å; F263-F332 AromaticContact CE2-CE1 3.96Å; F263-F332 HydrophobicContact CE2-CE1 3.96Å; F263-F332 HydrophobicContact CE2-CZ 4.44Å; F263-F332 HydrophobicContact CG-CE1 4.42Å; F263-F332 HydrophobicContact CG-CZ 4.47Å; A266-F332 HydrophobicContact CB-CB 3.63Å; L330-F332 HydrophobicContact CD2-CD1 4.33Å; L330-F332 HydrophobicContact CG-CD1 4.43Å; F332-D334 PolarHBondContact O-N 3.04Å; F332-Y335 HydrophobicContact CD2-CD2 4.07Å; F332-Y335 HydrophobicContact CE1-CD2 4.22Å; F332-Y335 HydrophobicContact CE1-CG 4.23Å; F332-Y335 AromaticContact CE2-CD2 3.32Å; F332-Y335 HydrophobicContact CE2-CD2 3.32Å; F332-Y335 AromaticContact CE2-CE2 3.87Å; F332-Y335 HydrophobicContact CE2-CE2 3.87Å; F332-Y335 HydrophobicContact CE2-CG 4.13Å; F332-Y335 AromaticContact CZ-CD2 3.4Å; F332-Y335 HydrophobicContact CZ-CD2 3.4Å; F332-Y335 HydrophobicContact CZ-CE2 4.02Å; F332-Y335 AromaticContact CZ-CG 3.78Å; F332-Y335 HydrophobicContact CZ-CG 3.78Å; F332-Y335 PolarHBondContact N-O 2.83Å; F332-Y335 WeakPolarHBondContact O-CB 3.45Å; F332-Y335 PolarHBondContact O-N 2.93Å; F332-Y340 VanDerWaalsContact CE1-OH 3.29Å; F332-Y340 WeakPolarHBondContact CE1-OH 3.48Å
333	A	91	Very high	94	Very high	68 Å²	68	54.9 Å²	54.9	56%	0.562	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	47	-125.9	-174.2	0	0	0	0	0	111	A262	A262-A333 HydrophobicContact CB-CB 4.21Å
334	D	89.3	Confident	94	Very high	160 Å²	160	53.4 Å²	53.4	86%	0.856	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	0.7	177.7	-58.2	-37.3	0	0	0	113.5	F332 S336	F332-D334 PolarHBondContact O-N 3.04Å; D334-S336 PolarHBondContact O-N 3.47Å
335	Y	91.4	Very high	94	Very high	36 Å²	36	48.1 Å²	48.1	14%	0.141	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	115.2	177.9	-67.2	-81.2	0	0	0	111.2	P252 K253 D254 F255 S331 F332	P252-Y335 HydrophobicContact CB-CD1 3.94Å; P252-Y335 HydrophobicContact CB-CE1 3.68Å; P252-Y335 HydrophobicContact CG-CD1 4.04Å; P252-Y335 HydrophobicContact CG-CE1 3.74Å; P252-Y335 HydrophobicContact CG-CE2 4.38Å; P252-Y335 HydrophobicContact CG-CG 4.46Å; K253-Y335 VanDerWaalsContact O-CE1 3.23Å; K253-Y335 WeakPolarHBondContact O-CE1 3.37Å; K253-Y335 PolarHBondContact O-OH 3.45Å; D254-Y335 PolarHBondContact O-OH 3.42Å; F255-Y335 WeakPolarHBondContact CA-OH 3.44Å; F255-Y335 HydrophobicContact CD2-CE2 4.28Å; F255-Y335 PolarHBondContact N-OH 3.36Å; F255-Y335 VanDerWaalsContact N-OH 3.12Å; S331-Y335 WeakPolarHBondContact CA-O 3.24Å; F332-Y335 HydrophobicContact CD2-CD2 4.07Å; F332-Y335 HydrophobicContact CE1-CD2 4.22Å; F332-Y335 HydrophobicContact CE1-CG 4.23Å; F332-Y335 AromaticContact CE2-CD2 3.32Å; F332-Y335 HydrophobicContact CE2-CD2 3.32Å; F332-Y335 AromaticContact CE2-CE2 3.87Å; F332-Y335 HydrophobicContact CE2-CE2 3.87Å; F332-Y335 HydrophobicContact CE2-CG 4.13Å; F332-Y335 AromaticContact CZ-CD2 3.4Å; F332-Y335 HydrophobicContact CZ-CD2 3.4Å; F332-Y335 HydrophobicContact CZ-CE2 4.02Å; F332-Y335 AromaticContact CZ-CG 3.78Å; F332-Y335 HydrophobicContact CZ-CG 3.78Å; F332-Y335 PolarHBondContact N-O 2.83Å; F332-Y335 WeakPolarHBondContact O-CB 3.45Å; F332-Y335 PolarHBondContact O-N 2.93Å
336	S	90.3	Very high	93.8	Very high	91 Å²	91	49.5 Å²	49.5	64%	0.636	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	161.2	170.8	60.7	0	0	0	0	111.9	D334 Q338	D334-S336 PolarHBondContact O-N 3.47Å; S336-Q338 PolarHBondContact O-N 3.03Å
337	L	93.5	Very high	93.7	Very high	120 Å²	120	50.4 Å²	50.4	63%	0.628	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.1	113.2	176.6	-172.1	74.6	0	0	0	111.2	G329	G329-L337 VanDerWaalsContact C-CD1 3.44Å; G329-L337 WeakPolarHBondContact O-CD1 3.23Å
338	Q	93.9	Very high	93.7	Very high	71 Å²	71	50.9 Å²	50.9	33%	0.332	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	153.9	176.8	66.6	-174.7	-44.1	0	0	110.4	G329 L330 S336 Y340	G329-Q338 CarbonylContact C-O 3.51Å; G329-Q338 WeakPolarHBondContact CA-O 3.43Å; L330-Q338 PolarHBondContact N-O 3.47Å; L330-Q338 PolarHBondContact O-N 2.84Å; S336-Q338 PolarHBondContact O-N 3.03Å; Q338-Y340 VanDerWaalsContact CD-OH 3.26Å; Q338-Y340 HydrophobicContact CG-CE1 4.2Å; Q338-Y340 HydrophobicContact CG-CE2 3.71Å; Q338-Y340 VanDerWaalsContact CG-CZ 3.44Å; Q338-Y340 WeakPolarHBondContact CG-OH 3.4Å; Q338-Y340 PolarHBondContact NE2-OH 3.41Å; Q338-Y340 VanDerWaalsContact O-CD2 3.26Å; Q338-Y340 WeakPolarHBondContact O-CD2 3.46Å; Q338-Y340 WeakPolarHBondContact O-CE2 3.3Å
339	S	93.8	Very high	93.8	Very high	63 Å²	63	45.4 Å²	45.4	44%	0.441	27%	0.271	S	S	.	.			trans	-81.3	145.5	179.9	169.1	0	0	0	0	112.1	L326 D327	L326-S339 CarbonylContact O-C 3.54Å; L326-S339 WeakPolarHBondContact O-CA 3.48Å; D327-S339 WeakPolarHBondContact O-CB 3.47Å; D327-S339 PolarHBondContact O-OG 3Å
340	Y	95.3	Very high	93.9	Very high	5 Å²	5	46 Å²	46	2%	0.02	27%	0.271	C	S	.	.			trans	-125.8	88.6	178.8	-62.4	-84.4	0	0	0	110.2	P252 F263 L326 L330 F332 Q338 A342	P252-Y340 HydrophobicContact CB-CE1 4.13Å; P252-Y340 HydrophobicContact CG-CE1 4.13Å; F263-Y340 HydrophobicContact CE2-CE1 4.34Å; F263-Y340 HydrophobicContact CE2-CE2 4.44Å; L326-Y340 HydrophobicContact CD2-CD2 4.02Å; L326-Y340 HydrophobicContact CD2-CG 4.28Å; L326-Y340 PolarHBondContact O-N 3.43Å; L330-Y340 HydrophobicContact CB-CD2 4.17Å; L330-Y340 HydrophobicContact CB-CE2 3.9Å; F332-Y340 VanDerWaalsContact CE1-OH 3.29Å; F332-Y340 WeakPolarHBondContact CE1-OH 3.48Å; Q338-Y340 VanDerWaalsContact CD-OH 3.26Å; Q338-Y340 HydrophobicContact CG-CE1 4.2Å; Q338-Y340 HydrophobicContact CG-CE2 3.71Å; Q338-Y340 VanDerWaalsContact CG-CZ 3.44Å; Q338-Y340 WeakPolarHBondContact CG-OH 3.4Å; Q338-Y340 PolarHBondContact NE2-OH 3.41Å; Q338-Y340 VanDerWaalsContact O-CD2 3.26Å; Q338-Y340 WeakPolarHBondContact O-CD2 3.46Å; Q338-Y340 WeakPolarHBondContact O-CE2 3.3Å; Y340-A342 PolarHBondContact O-N 2.97Å
341	P	93.4	Very high	93.9	Very high	71 Å²	71	46 Å²	46	46%	0.461	27%	0.271	S	S	.	.			trans	-59.4	124.9	-177.6	-23.7	34.1	0	0	0	112	P250 F343	P250-P341 VanDerWaalsContact CD-O 3.28Å; P250-P341 WeakPolarHBondContact CD-O 3.48Å; P341-F343 WeakPolarHBondContact O-CD2 3.44Å
342	A	96	Very high	94.1	Very high	6 Å²	6	43 Å²	43	5%	0.05	25%	0.249	C	C	.	.			trans	-77.3	141.8	-175.5	0	0	0	0	0	114	F247 Y248 K323 Y340 A345 T711	F247-A342 HydrophobicContact CD2-CB 3.97Å; F247-A342 HydrophobicContact CE2-CB 4.06Å; Y248-A342 WeakPolarHBondContact O-CA 2.92Å; K323-A342 HydrophobicContact CB-CB 4.4Å; K323-A342 HydrophobicContact CD-CB 4.27Å; K323-A342 HydrophobicContact CG-CB 3.8Å; Y340-A342 PolarHBondContact O-N 2.97Å; A342-A345 HydrophobicContact CB-CB 3.76Å; A342-T711 WeakPolarHBondContact O-CB 3.16Å; A342-T711 PolarHBondContact O-N 3.42Å; A342-T711 PolarHBondContact O-OG1 3.37Å
343	F	96.6	Very high	94.3	Very high	18 Å²	18	42.5 Å²	42.5	8%	0.079	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-110.7	138.1	170.1	-72	-105.9	0	0	0	109.2	F247 Y248 P250 N296 F308 P341 A345 L708 L709 P710	F247-F343 WeakPolarHBondContact CB-O 3.29Å; Y248-F343 PolarHBondContact N-O 2.95Å; Y248-F343 PolarHBondContact O-N 2.72Å; P250-F343 HydrophobicContact CG-CE2 3.92Å; N296-F343 HydrophobicContact CB-CE1 4.15Å; F308-F343 HydrophobicContact CD1-CD2 4.39Å; F308-F343 HydrophobicContact CE1-CD1 4.46Å; F308-F343 AromaticContact CE1-CD2 3.75Å; F308-F343 HydrophobicContact CE1-CD2 3.75Å; F308-F343 HydrophobicContact CE1-CE1 4.41Å; F308-F343 AromaticContact CE1-CE2 3.7Å; F308-F343 HydrophobicContact CE1-CE2 3.7Å; F308-F343 HydrophobicContact CE1-CG 4.16Å; F308-F343 HydrophobicContact CE1-CZ 4.04Å; F308-F343 HydrophobicContact CZ-CE2 4.43Å; F308-F343 HydrophobicContact CZ-CZ 4.36Å; P341-F343 WeakPolarHBondContact O-CD2 3.44Å; F343-A345 PolarHBondContact O-N 3.16Å; F343-L708 HydrophobicContact CB-CB 4.14Å; F343-L708 HydrophobicContact CB-CD1 4.4Å; F343-L708 HydrophobicContact CD1-CB 3.79Å; F343-L708 HydrophobicContact CG-CB 4.27Å; F343-L709 CarbonylContact C-O 3.56Å; F343-L709 WeakPolarHBondContact CA-O 3.41Å; F343-P710 HydrophobicContact CD1-CB 4.1Å; F343-P710 HydrophobicContact CE1-CB 3.88Å; F343-P710 HydrophobicContact CZ-CB 4.47Å
344	E	95.7	Very high	94.6	Very high	5 Å²	5	39.2 Å²	39.2	2%	0.023	22%	0.22	C	C	.	.	S	Bend	trans	58.8	17.3	177.1	-51.4	-172.4	159.4	0	0	115.5	N346 I347 R352 L699 L708 L709 T711	E344-N346 PolarHBondContact O-N 2.77Å; E344-I347 HydrophobicContact CB-CG1 3.92Å; E344-I347 WeakPolarHBondContact O-CG1 2.93Å; E344-I347 PolarHBondContact O-N 2.96Å; E344-R352 VanDerWaalsContact CD-NH2 3.35Å; E344-R352 IonicContact OE1-NH2 3.9Å; E344-R352 IonicContact OE2-CZ 3.04Å; E344-R352 IonicContact OE2-NH2 2.86Å; E344-R352 PolarHBondContact OE2-NH2 3.12Å; E344-L699 HydrophobicContact CG-CD1 4.43Å; E344-L699 WeakPolarHBondContact OE1-CD1 3.34Å; E344-L708 HydrophobicContact CG-CD2 4.48Å; E344-L709 HydrophobicContact CG-CB 4.2Å; E344-L709 WeakPolarHBondContact CG-O 3.27Å; E344-L709 PolarHBondContact N-O 3.2Å; E344-L709 PolarHBondContact OE1-N 3.26Å; E344-T711 PolarHBondContact N-OG1 3.1Å
345	A	95.3	Very high	94.9	Very high	14 Å²	14	31.9 Å²	31.9	12%	0.116	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-4.3	179.7	0	0	0	0	0	113.7	F247 I319 K323 A342 F343 T711	F247-A345 HydrophobicContact CB-CB 4.06Å; F247-A345 HydrophobicContact CD2-CB 3.99Å; F247-A345 HydrophobicContact CG-CB 4.09Å; I319-A345 HydrophobicContact CG2-CB 3.8Å; I319-A345 WeakPolarHBondContact CG2-O 3.46Å; K323-A345 HydrophobicContact CB-CB 4.37Å; K323-A345 HydrophobicContact CD-CB 3.93Å; K323-A345 HydrophobicContact CG-CB 4.39Å; A342-A345 HydrophobicContact CB-CB 3.76Å; F343-A345 PolarHBondContact O-N 3.16Å; A345-T711 HydrophobicContact CB-CG2 4.4Å; A345-T711 PolarHBondContact N-OG1 3.17Å; A345-T711 VanDerWaalsContact N-OG1 3.14Å
346	N	91.5	Very high	95.2	Very high	44 Å²	44	32 Å²	32	24%	0.235	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	15.6	176	66.2	-12.9	0	0	0	113.2	E344 T711	E344-N346 PolarHBondContact O-N 2.77Å; N346-T711 HydrophobicContact CB-CG2 3.8Å
347	I	94.3	Very high	95.5	Very high	18 Å²	18	28.8 Å²	28.8	9%	0.092	16%	0.16	C	C	.	.	S	Bend	trans	-85.6	128.2	173.7	-57.3	-53.8	0	0	0	109	E344 I351 R352 V695 L699	E344-I347 HydrophobicContact CB-CG1 3.92Å; E344-I347 WeakPolarHBondContact O-CG1 2.93Å; E344-I347 PolarHBondContact O-N 2.96Å; I347-I351 HydrophobicContact CG2-CB 4.32Å; I347-I351 HydrophobicContact CG2-CG2 4.17Å; I347-R352 HydrophobicContact CG2-CB 4.03Å; I347-V695 HydrophobicContact CD1-CG1 3.99Å; I347-L699 HydrophobicContact CD1-CD1 4.3Å; I347-L699 HydrophobicContact CD1-CD2 4.14Å; I347-L699 HydrophobicContact CG1-CD1 4.28Å; I347-L699 HydrophobicContact CG1-CD2 4.17Å; I347-L699 HydrophobicContact CG2-CD2 3.54Å
348	D	94.3	Very high	95.5	Very high	55 Å²	55	30.6 Å²	30.6	29%	0.294	17%	0.165	S	C	.	.			trans	-62.9	142.5	176	-68.6	-15	0	0	0	110.5	E350 I351 R352 Y684	D348-E350 PolarHBondContact O-N 3.44Å; D348-I351 HydrophobicContact CB-CB 4.27Å; D348-I351 HydrophobicContact CB-CG1 3.98Å; D348-I351 PolarHBondContact O-N 2.84Å; D348-I351 VanDerWaalsContact O-N 3.09Å; D348-R352 PolarHBondContact O-N 3.39Å; D348-Y684 VanDerWaalsContact OD2-CE2 3.24Å; D348-Y684 WeakPolarHBondContact OD2-CE2 3.38Å; D348-Y684 PolarHBondContact OD2-OH 3.12Å
349	F	97.1	Very high	95.7	Very high	11 Å²	11	27.2 Å²	27.2	5%	0.048	15%	0.15	C	C	.	.	H	α-helix	trans	-61.2	-35.9	-174.8	-174.8	-122.5	0	0	0	112.3	H204 P222 I224 F243 P245 P316 R352 F353	H204-F349 HydrophobicContact CB-CD1 3.82Å; H204-F349 HydrophobicContact CB-CE1 4.09Å; H204-F349 AromaticContact CG-CD1 3.7Å; P222-F349 HydrophobicContact CB-CE1 3.96Å; P222-F349 HydrophobicContact CB-CZ 4.03Å; P222-F349 HydrophobicContact CG-CZ 4.21Å; I224-F349 HydrophobicContact CD1-CD1 3.7Å; I224-F349 HydrophobicContact CD1-CE1 3.6Å; I224-F349 HydrophobicContact CD1-CZ 4.45Å; I224-F349 HydrophobicContact CG1-CE1 3.94Å; F243-F349 HydrophobicContact CD1-CD2 4.35Å; F243-F349 HydrophobicContact CD1-CE1 4.44Å; F243-F349 AromaticContact CD1-CE2 3.51Å; F243-F349 HydrophobicContact CD1-CE2 3.51Å; F243-F349 AromaticContact CD1-CZ 3.59Å; F243-F349 HydrophobicContact CD1-CZ 3.59Å; F243-F349 HydrophobicContact CE1-CD2 4.25Å; F243-F349 AromaticContact CE1-CE2 3.77Å; F243-F349 HydrophobicContact CE1-CE2 3.77Å; F243-F349 HydrophobicContact CE1-CZ 4.29Å; F243-F349 WeakPolarHBondContact O-CZ 3.34Å; P245-F349 HydrophobicContact CB-CD2 3.94Å; P245-F349 HydrophobicContact CB-CE2 3.88Å; P245-F349 HydrophobicContact CG-CE2 4.38Å; P316-F349 HydrophobicContact CB-CB 4.13Å; P316-F349 HydrophobicContact CB-CD2 4.45Å; P316-F349 HydrophobicContact CB-CG 4.15Å; P316-F349 HydrophobicContact CG-CB 4.08Å; P316-F349 HydrophobicContact CG-CD1 3.65Å; P316-F349 HydrophobicContact CG-CD2 3.85Å; P316-F349 HydrophobicContact CG-CE1 3.97Å; P316-F349 HydrophobicContact CG-CE2 4.17Å; P316-F349 HydrophobicContact CG-CG 3.58Å; P316-F349 HydrophobicContact CG-CZ 4.21Å; F349-R352 PolarHBondContact O-N 3.31Å; F349-F353 WeakPolarHBondContact O-CB 3.49Å; F349-F353 PolarHBondContact O-N 2.66Å
350	E	96.6	Very high	95.8	Very high	23 Å²	23	25.5 Å²	25.5	11%	0.107	14%	0.137	C	C	.	.	H	α-helix	trans	-66.6	-43.8	174.8	-62	82.4	177.4	0	0	111.9	V202 H204 D348 R352 F353 M354	V202-E350 HydrophobicContact CB-CB 4.49Å; V202-E350 HydrophobicContact CG1-CB 3.92Å; V202-E350 HydrophobicContact CG1-CG 3.91Å; H204-E350 IonicContact CE1-OE1 3.04Å; H204-E350 IonicContact CG-OE1 2.83Å; H204-E350 PolarHBondContact N-OE1 3.05Å; H204-E350 IonicContact ND1-OE1 3.85Å; H204-E350 PolarHBondContact ND1-OE1 3.06Å; H204-E350 IonicContact ND1-OE2 3.2Å; D348-E350 PolarHBondContact O-N 3.44Å; E350-R352 VanDerWaalsContact C-N 3.3Å; E350-R352 PolarHBondContact O-N 2.88Å; E350-F353 PolarHBondContact O-N 3.13Å; E350-M354 WeakPolarHBondContact O-CB 3.47Å; E350-M354 VanDerWaalsContact O-CG 3.24Å; E350-M354 WeakPolarHBondContact O-CG 3.18Å; E350-M354 PolarHBondContact O-N 3.07Å
351	I	95.9	Very high	95.7	Very high	6 Å²	6	25.3 Å²	25.3	3%	0.031	14%	0.136	C	C	.	.	H	α-helix	trans	-65.2	-39	177.4	-63.8	-63.5	0	0	0	110.4	I347 D348 M354 T355 V680 Y684 L699	I347-I351 HydrophobicContact CG2-CB 4.32Å; I347-I351 HydrophobicContact CG2-CG2 4.17Å; D348-I351 HydrophobicContact CB-CB 4.27Å; D348-I351 HydrophobicContact CB-CG1 3.98Å; D348-I351 PolarHBondContact O-N 2.84Å; D348-I351 VanDerWaalsContact O-N 3.09Å; I351-M354 PolarHBondContact O-N 2.81Å; I351-T355 WeakPolarHBondContact O-CB 3.49Å; I351-T355 PolarHBondContact O-N 2.83Å; I351-T355 PolarHBondContact O-OG1 2.95Å; I351-V680 HydrophobicContact CD1-CB 4.18Å; I351-V680 HydrophobicContact CD1-CG1 4.01Å; I351-Y684 HydrophobicContact CD1-CD2 4.1Å; I351-Y684 HydrophobicContact CD1-CE2 4Å; I351-Y684 HydrophobicContact CG1-CE2 3.93Å; I351-L699 HydrophobicContact CG2-CD2 4.07Å
352	R	97.1	Very high	95.9	Very high	7 Å²	7	22 Å²	22	3%	0.026	11%	0.114	C	C	.	.	H	α-helix	trans	-61.7	-50.4	173.8	174.9	49.4	65.1	-167.5	5.3	111.2	F243 Y246 E344 I347 D348 F349 E350 M354 T355 D356	F243-R352 HydrophobicContact CE1-CB 4.48Å; F243-R352 HydrophobicContact CE1-CG 3.93Å; F243-R352 HydrophobicContact CZ-CG 3.78Å; Y246-R352 HydrophobicContact CE1-CG 4.17Å; Y246-R352 WeakPolarHBondContact OH-CD 3.2Å; Y246-R352 PolarHBondContact OH-NH1 3.28Å; E344-R352 VanDerWaalsContact CD-NH2 3.35Å; E344-R352 IonicContact OE1-NH2 3.9Å; E344-R352 IonicContact OE2-CZ 3.04Å; E344-R352 IonicContact OE2-NH2 2.86Å; E344-R352 PolarHBondContact OE2-NH2 3.12Å; I347-R352 HydrophobicContact CG2-CB 4.03Å; D348-R352 PolarHBondContact O-N 3.39Å; F349-R352 PolarHBondContact O-N 3.31Å; E350-R352 VanDerWaalsContact C-N 3.3Å; E350-R352 PolarHBondContact O-N 2.88Å; R352-M354 VanDerWaalsContact C-N 3.33Å; R352-M354 PolarHBondContact O-N 3.46Å; R352-T355 PolarHBondContact O-N 2.96Å; R352-T355 VanDerWaalsContact O-N 3.17Å; R352-D356 WeakPolarHBondContact CD-OD1 3.48Å; R352-D356 WeakPolarHBondContact CD-OD2 3.32Å; R352-D356 IonicContact CZ-OD1 2.64Å; R352-D356 IonicContact NE-OD1 3.82Å; R352-D356 IonicContact NH1-OD1 2.96Å; R352-D356 PolarHBondContact NH1-OD1 3.36Å; R352-D356 VanDerWaalsContact NH1-OD1 3.08Å; R352-D356 PolarHBondContact O-N 3.29Å
353	F	97.9	Very high	95.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-55	-48.5	174.8	170.5	-99.9	0	0	0	111.9	V202 I224 L226 V240 F243 F349 E350 T355 D356 T357 M359 W431 L434	V202-F353 HydrophobicContact CG1-CD1 4.47Å; I224-F353 HydrophobicContact CD1-CB 3.89Å; I224-F353 HydrophobicContact CD1-CD1 4.41Å; I224-F353 HydrophobicContact CD1-CG 4.01Å; I224-F353 HydrophobicContact CG1-CB 4.26Å; I224-F353 HydrophobicContact CG1-CD1 4.46Å; I224-F353 HydrophobicContact CG1-CD2 3.98Å; I224-F353 HydrophobicContact CG1-CE2 4.48Å; I224-F353 HydrophobicContact CG1-CG 3.96Å; I224-F353 HydrophobicContact CG2-CD1 3.9Å; I224-F353 HydrophobicContact CG2-CD2 4.48Å; I224-F353 HydrophobicContact CG2-CE1 3.83Å; I224-F353 HydrophobicContact CG2-CE2 4.4Å; I224-F353 HydrophobicContact CG2-CG 4.23Å; I224-F353 HydrophobicContact CG2-CZ 4.09Å; L226-F353 HydrophobicContact CD1-CE1 4.49Å; L226-F353 HydrophobicContact CD2-CE1 3.89Å; V240-F353 HydrophobicContact CG1-CE2 3.85Å; V240-F353 HydrophobicContact CG1-CZ 4.01Å; F243-F353 HydrophobicContact CB-CD2 4.15Å; F243-F353 HydrophobicContact CD1-CB 3.8Å; F243-F353 AromaticContact CD1-CD2 3.91Å; F243-F353 HydrophobicContact CD1-CD2 3.91Å; F243-F353 HydrophobicContact CD1-CG 4.34Å; F243-F353 HydrophobicContact CD2-CD2 4.03Å; F243-F353 VanDerWaalsContact CE1-CA 3.4Å; F243-F353 HydrophobicContact CE1-CB 3.59Å; F243-F353 HydrophobicContact CE1-CD2 4.34Å; F243-F353 HydrophobicContact CE1-CG 4.49Å; F243-F353 HydrophobicContact CE2-CD2 4.43Å; F243-F353 HydrophobicContact CG-CB 4.48Å; F243-F353 AromaticContact CG-CD2 3.75Å; F243-F353 HydrophobicContact CG-CD2 3.75Å; F243-F353 VanDerWaalsContact CZ-CA 3.43Å; F243-F353 HydrophobicContact CZ-CB 4.11Å; F349-F353 WeakPolarHBondContact O-CB 3.49Å; F349-F353 PolarHBondContact O-N 2.66Å; E350-F353 PolarHBondContact O-N 3.13Å; F353-T355 VanDerWaalsContact C-N 3.29Å; F353-T355 PolarHBondContact O-N 3.23Å; F353-D356 PolarHBondContact O-N 3.28Å; F353-T357 HydrophobicContact CD2-CG2 4.07Å; F353-T357 HydrophobicContact CE2-CG2 3.71Å; F353-T357 HydrophobicContact CZ-CG2 4.05Å; F353-T357 WeakPolarHBondContact O-CB 2.95Å; F353-T357 WeakPolarHBondContact O-CG2 3.01Å; F353-T357 PolarHBondContact O-N 3.21Å; F353-T357 PolarHBondContact O-OG1 3.18Å; F353-M359 HydrophobicContact CE1-CE 3.72Å; F353-M359 HydrophobicContact CE1-SD 4.03Å; F353-M359 HydrophobicContact CZ-CE 4.16Å; F353-W431 HydrophobicContact CE2-CB 4.22Å; F353-L434 HydrophobicContact CZ-CD2 4.26Å
354	M	97.6	Very high	96	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65.5	-32.3	179.7	-71.4	179.9	76.5	0	0	112.8	V202 E350 I351 R352 Q358 M359 T360 P681 R700	V202-M354 HydrophobicContact CG2-SD 4.05Å; E350-M354 WeakPolarHBondContact O-CB 3.47Å; E350-M354 VanDerWaalsContact O-CG 3.24Å; E350-M354 WeakPolarHBondContact O-CG 3.18Å; E350-M354 PolarHBondContact O-N 3.07Å; I351-M354 PolarHBondContact O-N 2.81Å; R352-M354 VanDerWaalsContact C-N 3.33Å; R352-M354 PolarHBondContact O-N 3.46Å; M354-Q358 CarbonylContact O-C 3.55Å; M354-Q358 PolarHBondContact O-N 3.45Å; M354-M359 HydrophobicContact CB-CB 4.33Å; M354-M359 WeakPolarHBondContact CB-O 3.33Å; M354-M359 HydrophobicContact CE-CG 4.24Å; M354-M359 HydrophobicContact CG-CB 4.39Å; M354-M359 HydrophobicContact CG-CG 4.33Å; M354-M359 HydrophobicContact CG-SD 4.07Å; M354-M359 PolarHBondContact O-N 2.9Å; M354-T360 VanDerWaalsContact CE-C 3.42Å; M354-P681 HydrophobicContact SD-CG 3.74Å; M354-R700 PolarHBondContact O-NH1 3Å; M354-R700 PolarHBondContact O-NH2 2.98Å
355	T	96.4	Very high	96.1	Very high	6 Å²	6	21 Å²	21	4%	0.037	11%	0.109	C	C	.	.	H	α-helix	trans	-70.4	-51.7	176.6	-61.8	0	0	0	0	111	I351 R352 F353 T357 Q358 L699 R700 H703	I351-T355 WeakPolarHBondContact O-CB 3.49Å; I351-T355 PolarHBondContact O-N 2.83Å; I351-T355 PolarHBondContact O-OG1 2.95Å; R352-T355 PolarHBondContact O-N 2.96Å; R352-T355 VanDerWaalsContact O-N 3.17Å; F353-T355 VanDerWaalsContact C-N 3.29Å; F353-T355 PolarHBondContact O-N 3.23Å; T355-T357 VanDerWaalsContact C-N 3.27Å; T355-T357 PolarHBondContact O-N 3.46Å; T355-Q358 PolarHBondContact O-N 3.45Å; T355-L699 HydrophobicContact CG2-CD2 4.34Å; T355-L699 HydrophobicContact CG2-CG 4.18Å; T355-R700 HydrophobicContact CG2-CB 4.42Å; T355-R700 HydrophobicContact CG2-CG 3.78Å; T355-H703 HydrophobicContact CG2-CB 4.34Å
356	D	96.2	Very high	96.2	Very high	37 Å²	37	22.7 Å²	22.7	20%	0.198	11%	0.114	C	C	.	.	H	α-helix	trans	-69.3	-25.9	-174.4	-68.3	15.5	0	0	0	112.4	F243 Y246 R352 F353	F243-D356 HydrophobicContact CE2-CB 3.92Å; F243-D356 HydrophobicContact CZ-CB 4.11Å; Y246-D356 VanDerWaalsContact CE1-OD2 3.23Å; Y246-D356 WeakPolarHBondContact CE1-OD2 3.45Å; Y246-D356 VanDerWaalsContact CZ-OD2 3.32Å; Y246-D356 VanDerWaalsContact OH-CG 3.26Å; Y246-D356 PolarHBondContact OH-OD1 2.9Å; Y246-D356 PolarHBondContact OH-OD2 3Å; R352-D356 WeakPolarHBondContact CD-OD1 3.48Å; R352-D356 WeakPolarHBondContact CD-OD2 3.32Å; R352-D356 IonicContact CZ-OD1 2.64Å; R352-D356 IonicContact NE-OD1 3.82Å; R352-D356 IonicContact NH1-OD1 2.96Å; R352-D356 PolarHBondContact NH1-OD1 3.36Å; R352-D356 VanDerWaalsContact NH1-OD1 3.08Å; R352-D356 PolarHBondContact O-N 3.29Å; F353-D356 PolarHBondContact O-N 3.28Å
357	T	96.3	Very high	96.5	Very high	24 Å²	24	20.6 Å²	20.6	15%	0.147	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	3	174.1	57.9	0	0	0	0	113.8	F353 T355 M359 W431	F353-T357 HydrophobicContact CD2-CG2 4.07Å; F353-T357 HydrophobicContact CE2-CG2 3.71Å; F353-T357 HydrophobicContact CZ-CG2 4.05Å; F353-T357 WeakPolarHBondContact O-CB 2.95Å; F353-T357 WeakPolarHBondContact O-CG2 3.01Å; F353-T357 PolarHBondContact O-N 3.21Å; F353-T357 PolarHBondContact O-OG1 3.18Å; T355-T357 VanDerWaalsContact C-N 3.27Å; T355-T357 PolarHBondContact O-N 3.46Å; T357-M359 PolarHBondContact O-N 2.88Å; T357-M359 WeakPolarHBondContact OG1-CB 3.5Å; T357-W431 HydrophobicContact CG2-CE3 3.96Å; T357-W431 HydrophobicContact CG2-CZ3 4.33Å
358	Q	95.2	Very high	96.7	Very high	158 Å²	158	20.9 Å²	20.9	74%	0.738	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	17.6	-172	-56.4	-176.9	-3.2	0	0	114.4	M354 T355	M354-Q358 CarbonylContact O-C 3.55Å; M354-Q358 PolarHBondContact O-N 3.45Å; T355-Q358 PolarHBondContact O-N 3.45Å
359	M	96.9	Very high	96.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-71.7	129.7	176.5	-178.6	-176.2	-63.4	0	0	111.7	Q199 L226 F353 M354 T357 S363 V365 L434 V436 R700	Q199-M359 HydrophobicContact CG-SD 4.21Å; L226-M359 HydrophobicContact CD1-CE 3.84Å; L226-M359 HydrophobicContact CD2-CE 4.41Å; L226-M359 HydrophobicContact CD2-SD 4.28Å; F353-M359 HydrophobicContact CE1-CE 3.72Å; F353-M359 HydrophobicContact CE1-SD 4.03Å; F353-M359 HydrophobicContact CZ-CE 4.16Å; M354-M359 HydrophobicContact CB-CB 4.33Å; M354-M359 WeakPolarHBondContact CB-O 3.33Å; M354-M359 HydrophobicContact CE-CG 4.24Å; M354-M359 HydrophobicContact CG-CB 4.39Å; M354-M359 HydrophobicContact CG-CG 4.33Å; M354-M359 HydrophobicContact CG-SD 4.07Å; M354-M359 PolarHBondContact O-N 2.9Å; T357-M359 PolarHBondContact O-N 2.88Å; T357-M359 WeakPolarHBondContact OG1-CB 3.5Å; M359-S363 WeakPolarHBondContact CG-OG 3.45Å; M359-V365 HydrophobicContact CE-CG2 3.95Å; M359-L434 HydrophobicContact CE-CD2 3.76Å; M359-V436 HydrophobicContact CB-CG1 3.88Å; M359-V436 HydrophobicContact CB-CG2 4.15Å; M359-V436 HydrophobicContact CE-CG2 3.84Å; M359-V436 HydrophobicContact CG-CG1 4.06Å; M359-R700 VanDerWaalsContact O-CZ 3.25Å; M359-R700 PolarHBondContact O-NH1 3.4Å; M359-R700 PolarHBondContact O-NH2 3.28Å
360	T	95.3	Very high	96.6	Very high	28 Å²	28	27.1 Å²	27.1	17%	0.172	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-100	164.8	169.5	57.5	0	0	0	0	110.3	Q199 M354 S363 R676	Q199-T360 PolarHBondContact OE1-O 3.5Å; Q199-T360 VanDerWaalsContact OE1-O 3.08Å; M354-T360 VanDerWaalsContact CE-C 3.42Å; T360-S363 WeakPolarHBondContact O-CB 3.42Å; T360-S363 PolarHBondContact O-OG 2.88Å; T360-R676 WeakPolarHBondContact CB-O 3.18Å; T360-R676 WeakPolarHBondContact CG2-O 3.5Å
361	G	94.8	Very high	96.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	141.6	175	0	0	0	0	0	110.6	S363 A675 R676 V680	G361-S363 PolarHBondContact O-N 2.89Å; G361-A675 PolarHBondContact N-O 3.47Å; G361-A675 CarbonylContact O-C 3.55Å; G361-R676 VanDerWaalsContact O-CA 3.28Å; G361-R676 WeakPolarHBondContact O-CA 3.36Å; G361-R676 WeakPolarHBondContact O-CG 3.42Å; G361-R676 PolarHBondContact O-N 3.22Å; G361-V680 VanDerWaalsContact CA-O 3.25Å; G361-V680 WeakPolarHBondContact CA-O 3.42Å
362	C	96.8	Very high	96.6	Very high	1 Å²	1	32 Å²	32	1%	0.007	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	62	26.3	176.8	-57.1	0	0	0	0	114.1	Q198 Q199 I672 R676	Q198-C362 PolarHBondContact NE2-O 2.96Å; Q199-C362 WeakPolarHBondContact O-CA 3.43Å; Q199-C362 PolarHBondContact O-N 2.98Å; C362-I672 HydrophobicContact CB-CB 4.37Å; C362-I672 HydrophobicContact CB-CG1 4.38Å; C362-I672 HydrophobicContact CB-CG2 3.69Å; C362-R676 HydrophobicContact CB-CG 4.14Å; C362-R676 PolarHBondContact O-NE 2.85Å; C362-R676 PolarHBondContact O-NH2 3.08Å
363	S	96.6	Very high	96.4	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.			trans	-81.2	156.9	174.1	64.3	0	0	0	0	111.5	Q198 Q199 M359 T360 G361	Q198-S363 WeakPolarHBondContact CA-O 3.36Å; Q199-S363 PolarHBondContact N-O 2.87Å; Q199-S363 PolarHBondContact OE1-OG 2.84Å; M359-S363 WeakPolarHBondContact CG-OG 3.45Å; T360-S363 WeakPolarHBondContact O-CB 3.42Å; T360-S363 PolarHBondContact O-OG 2.88Å; G361-S363 PolarHBondContact O-N 2.89Å
364	W	98.2	Very high	96.2	Very high	9 Å²	9	39.2 Å²	39.2	3%	0.034	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	136.6	170	-73	87.4	0	0	0	109.6	T196 F197 Q198 E231 H437 W443 N445 A447	T196-W364 HydrophobicContact CG2-CE3 3.93Å; T196-W364 HydrophobicContact CG2-CZ3 4.46Å; F197-W364 VanDerWaalsContact C-CE3 3.41Å; F197-W364 WeakPolarHBondContact O-CA 3.43Å; Q198-W364 HydrophobicContact CB-CD2 3.98Å; Q198-W364 HydrophobicContact CB-CE3 4.18Å; Q198-W364 HydrophobicContact CB-CG 4.5Å; Q198-W364 HydrophobicContact CB-CH2 4.35Å; Q198-W364 HydrophobicContact CB-CZ2 4.15Å; Q198-W364 HydrophobicContact CB-CZ3 4.37Å; E231-W364 HydrophobicContact CB-CH2 3.89Å; E231-W364 HydrophobicContact CB-CZ3 4.27Å; W364-H437 HydrophobicContact CB-CB 4.15Å; W364-H437 WeakPolarHBondContact O-CB 3.27Å; W364-H437 PolarHBondContact O-N 3.46Å; W364-W443 HydrophobicContact CB-CB 4.49Å; W364-W443 HydrophobicContact CB-CD2 4.05Å; W364-W443 HydrophobicContact CB-CE3 3.38Å; W364-W443 HydrophobicContact CB-CZ3 3.89Å; W364-W443 AromaticContact CD1-CE3 3.89Å; W364-W443 AromaticContact CD2-CE3 3.82Å; W364-W443 HydrophobicContact CD2-CE3 3.82Å; W364-W443 HydrophobicContact CD2-CZ3 4.09Å; W364-W443 HydrophobicContact CE3-CE3 4.32Å; W364-W443 HydrophobicContact CE3-CZ3 4.12Å; W364-W443 HydrophobicContact CG-CB 4.43Å; W364-W443 HydrophobicContact CG-CD2 4.31Å; W364-W443 AromaticContact CG-CE3 3.4Å; W364-W443 HydrophobicContact CG-CE3 3.4Å; W364-W443 VanDerWaalsContact CG-CE3 3.4Å; W364-W443 HydrophobicContact CG-CZ3 4.03Å; W364-W443 PolarHBondContact NE1-O 3.48Å; W364-N445 PolarHBondContact NE1-O 3.15Å; W364-A447 HydrophobicContact CH2-CB 4.1Å; W364-A447 HydrophobicContact CZ2-CB 4.25Å
365	V	98	Very high	96	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	140	-174.9	-179.3	0	0	0	0	108.1	T196 F197 Q199 M359 L434 I435 V436	T196-V365 CarbonylContact C-O 3.59Å; T196-V365 WeakPolarHBondContact CA-O 3.45Å; F197-V365 HydrophobicContact CE1-CB 4.21Å; F197-V365 HydrophobicContact CE1-CG1 4.15Å; F197-V365 HydrophobicContact CE2-CB 4.34Å; F197-V365 HydrophobicContact CZ-CB 4.06Å; F197-V365 HydrophobicContact CZ-CG1 4.02Å; F197-V365 PolarHBondContact N-O 3.02Å; F197-V365 PolarHBondContact O-N 3.35Å; Q199-V365 HydrophobicContact CB-CG2 4.03Å; M359-V365 HydrophobicContact CE-CG2 3.95Å; V365-L434 HydrophobicContact CG1-CD1 3.38Å; V365-L434 HydrophobicContact CG1-CD2 3.63Å; V365-L434 HydrophobicContact CG1-CG 3.45Å; V365-L434 VanDerWaalsContact CG1-CG 3.45Å; V365-I435 CarbonylContact C-O 3.13Å; V365-I435 WeakPolarHBondContact CA-O 3.18Å; V365-V436 HydrophobicContact CG2-CG1 4.5Å
366	E	98	Very high	95.2	Very high	50 Å²	50	42.4 Å²	42.4	23%	0.234	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.3	-179	174.7	-179.2	171.5	0	0	110.7	I195 P368 I435 H437	I195-E366 CarbonylContact O-C 3.59Å; I195-E366 WeakPolarHBondContact O-CA 3.45Å; E366-P368 WeakPolarHBondContact O-CD 3.35Å; E366-I435 HydrophobicContact CB-CB 4.17Å; E366-I435 PolarHBondContact N-O 2.96Å; E366-I435 PolarHBondContact O-N 3.35Å; E366-H437 IonicContact OE2-CE1 2.72Å; E366-H437 PolarHBondContact OE2-CE1 3.34Å; E366-H437 IonicContact OE2-NE2 3.31Å; E366-H437 PolarHBondContact OE2-NE2 3.19Å
367	A	98	Very high	93.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	107.6	165	0	0	0	0	0	108.6	G194 I195 Y372 F427 I429	G194-A367 WeakPolarHBondContact CA-O 3.46Å; I195-A367 HydrophobicContact CB-CB 4.27Å; I195-A367 PolarHBondContact N-O 2.79Å; I195-A367 PolarHBondContact O-N 3.01Å; A367-Y372 HydrophobicContact CB-CD1 3.87Å; A367-Y372 HydrophobicContact CB-CG 4.28Å; A367-F427 HydrophobicContact CB-CD2 4.46Å; A367-F427 HydrophobicContact CB-CE1 4.49Å; A367-F427 HydrophobicContact CB-CE2 3.59Å; A367-F427 HydrophobicContact CB-CZ 3.6Å; A367-I429 HydrophobicContact CB-CD1 3.76Å
368	P	97.6	Very high	91.5	Very high	24 Å²	24	46.9 Å²	46.9	16%	0.156	24%	0.241	C	C	.	.			trans	-65.8	158.5	-177.8	-22.3	34.6	0	0	0	112.7	E366 K371 Y372 A433 I435	E366-P368 WeakPolarHBondContact O-CD 3.35Å; P368-K371 HydrophobicContact CB-CB 4.46Å; P368-K371 HydrophobicContact CB-CG 4.12Å; P368-K371 PolarHBondContact O-N 3.47Å; P368-Y372 WeakPolarHBondContact O-CD1 3.11Å; P368-A433 WeakPolarHBondContact CD-O 3.29Å; P368-I435 HydrophobicContact CG-CD1 3.54Å; P368-I435 HydrophobicContact CG-CG1 3.85Å
369	T	95.9	Very high	89.2	Confident	58 Å²	58	42.1 Å²	42.1	36%	0.356	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	144.8	173.8	58.4	0	0	0	0	111.4	K192 K371	K192-T369 VanDerWaalsContact O-CG2 3.22Å; K192-T369 WeakPolarHBondContact O-CG2 3.48Å; T369-K371 PolarHBondContact O-N 3.21Å
370	Q	94.1	Very high	86.6	Confident	138 Å²	138	47.3 Å²	47.3	65%	0.645	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	8	179.3	-52.1	173.5	16.8	0	0	115.5	P190 N191	P190-Q370 PolarHBondContact O-N 3.08Å; N191-Q370 HydrophobicContact CB-CG 4.46Å
371	K	95.5	Very high	83.9	Confident	124 Å²	124	51.1 Å²	51.1	54%	0.539	26%	0.26	S	S	.	.	S	Bend	trans	-107.9	-9.8	-179.3	-64.9	-60.4	-174.3	177.7	0	114.5	P368 T369 A433	P368-K371 HydrophobicContact CB-CB 4.46Å; P368-K371 HydrophobicContact CB-CG 4.12Å; P368-K371 PolarHBondContact O-N 3.47Å; T369-K371 PolarHBondContact O-N 3.21Å; K371-A433 HydrophobicContact CB-CB 4.16Å; K371-A433 HydrophobicContact CD-CB 4.49Å
372	Y	95.8	Very high	81.2	Confident	7 Å²	7	55 Å²	55	3%	0.027	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	157	-179	68	-89.2	0	0	0	112.1	P190 D193 I195 A367 P368 L374 F427 D428	P190-Y372 WeakPolarHBondContact CA-OH 3.14Å; P190-Y372 HydrophobicContact CB-CE2 4.01Å; P190-Y372 HydrophobicContact CG-CE2 4.18Å; D193-Y372 VanDerWaalsContact O-CE1 3.31Å; D193-Y372 WeakPolarHBondContact O-CE1 3.39Å; D193-Y372 PolarHBondContact O-OH 3.18Å; I195-Y372 HydrophobicContact CD1-CD2 3.87Å; I195-Y372 HydrophobicContact CD1-CE1 4.19Å; I195-Y372 HydrophobicContact CD1-CE2 3.32Å; I195-Y372 HydrophobicContact CD1-CG 4.48Å; I195-Y372 HydrophobicContact CG1-CE1 4.29Å; I195-Y372 HydrophobicContact CG1-CE2 4.16Å; A367-Y372 HydrophobicContact CB-CD1 3.87Å; A367-Y372 HydrophobicContact CB-CG 4.28Å; P368-Y372 WeakPolarHBondContact O-CD1 3.11Å; Y372-L374 HydrophobicContact CD2-CD2 4.28Å; Y372-L374 HydrophobicContact CD2-CG 4.23Å; Y372-L374 HydrophobicContact CE2-CD1 4.41Å; Y372-L374 HydrophobicContact CE2-CD2 3.8Å; Y372-L374 HydrophobicContact CE2-CG 3.74Å; Y372-F427 HydrophobicContact CD2-CB 3.91Å; Y372-F427 HydrophobicContact CD2-CD2 4.32Å; Y372-F427 HydrophobicContact CD2-CG 4.16Å; Y372-F427 HydrophobicContact CG-CD2 4.21Å; Y372-F427 HydrophobicContact CG-CG 4.48Å; Y372-D428 CarbonylContact C-O 3.52Å; Y372-D428 VanDerWaalsContact CA-O 3.29Å; Y372-D428 WeakPolarHBondContact CA-O 3.2Å
373	H	94.1	Very high	78.7	Confident	113 Å²	113	58.7 Å²	58.7	52%	0.523	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	116.3	176.2	-57	82.9	0	0	0	108.8	M213 F427 D428	M213-H373 WeakPolarHBondContact CE-ND1 3.23Å; H373-F427 CarbonylContact O-C 3.57Å; H373-F427 WeakPolarHBondContact O-CA 3.49Å; H373-F427 WeakPolarHBondContact O-CB 3.37Å; H373-D428 HydrophobicContact CB-CB 4.48Å; H373-D428 PolarHBondContact N-O 3.05Å; H373-D428 PolarHBondContact O-N 2.87Å
374	L	93.8	Very high	76.1	Confident	47 Å²	47	63.8 Å²	63.8	25%	0.246	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	138.5	173.3	-72.9	172.1	0	0	0	110.3	L188 P190 I195 Y372 I425 F427	L188-L374 HydrophobicContact CB-CD1 3.83Å; L188-L374 HydrophobicContact CD1-CD2 4.37Å; P190-L374 HydrophobicContact CG-CB 4.38Å; P190-L374 HydrophobicContact CG-CD1 3.54Å; P190-L374 HydrophobicContact CG-CG 3.8Å; I195-L374 HydrophobicContact CD1-CD2 4.14Å; Y372-L374 HydrophobicContact CD2-CD2 4.28Å; Y372-L374 HydrophobicContact CD2-CG 4.23Å; Y372-L374 HydrophobicContact CE2-CD1 4.41Å; Y372-L374 HydrophobicContact CE2-CD2 3.8Å; Y372-L374 HydrophobicContact CE2-CG 3.74Å; L374-I425 HydrophobicContact CD2-CG2 4.49Å; L374-F427 HydrophobicContact CD2-CB 4.23Å
375	R	93.1	Very high	73.2	Confident	16 Å²	16	68.6 Å²	68.6	6%	0.06	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-86.4	137.4	167.7	-65.8	-162	-179	171.3	-1.1	110.2	H239 L417 N419 Q420 E426 D428	H239-R375 PolarHBondContact CD2-NH1 3.32Å; H239-R375 PolarHBondContact CE1-NH1 2.97Å; H239-R375 VanDerWaalsContact CE1-NH1 3.3Å; H239-R375 PolarHBondContact NE2-NH1 3.46Å; R375-L417 WeakPolarHBondContact CA-O 3.44Å; R375-L417 WeakPolarHBondContact CB-O 3.41Å; R375-L417 HydrophobicContact CG-CB 3.98Å; R375-N419 WeakPolarHBondContact CB-OD1 3.18Å; R375-N419 PolarHBondContact O-OD1 3.06Å; R375-Q420 VanDerWaalsContact NH1-CG 3.34Å; R375-E426 HydrophobicContact CB-CB 4.39Å; R375-E426 HydrophobicContact CB-CG 4.3Å; R375-E426 WeakPolarHBondContact CD-OE1 3.38Å; R375-E426 HydrophobicContact CG-CG 4.38Å; R375-E426 IonicContact CZ-OE1 3.08Å; R375-E426 PolarHBondContact N-O 3.24Å; R375-E426 IonicContact NE-OE1 2.7Å; R375-E426 IonicContact NH1-OE1 2.93Å; R375-E426 PolarHBondContact NH1-OE1 2.86Å; R375-D428 VanDerWaalsContact CG-OD2 3.25Å; R375-D428 WeakPolarHBondContact CG-OD2 3.49Å; R375-D428 IonicContact CZ-OD1 3.57Å; R375-D428 IonicContact CZ-OD2 2.91Å; R375-D428 IonicContact NE-OD1 2.76Å; R375-D428 PolarHBondContact NE-OD1 2.67Å; R375-D428 IonicContact NE-OD2 3.86Å; R375-D428 PolarHBondContact NE-OD2 3.5Å; R375-D428 IonicContact NH2-OD1 2.94Å; R375-D428 PolarHBondContact NH2-OD1 3.43Å; R375-D428 IonicContact NH2-OD2 3.49Å
376	D	78.2	Confident	70.4	Confident	57 Å²	57	74.5 Å²	74.5	31%	0.305	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-84.7	138.9	-177.1	-161.5	-20.9	0	0	0	111	T378 L417 N419	D376-T378 PolarHBondContact OD1-N 2.88Å; D376-T378 PolarHBondContact OD1-OG1 3.46Å; D376-T378 PolarHBondContact OD2-OG1 2.84Å; D376-T378 VanDerWaalsContact OD2-OG1 3.06Å; D376-L417 PolarHBondContact N-O 3.05Å; D376-N419 PolarHBondContact O-N 3.15Å
377	S	64.3	Low	67.8	Low	75 Å²	75	74.4 Å²	74.4	52%	0.524	38%	0.38	S	S	.	.	S	Bend	trans	-78.2	-23.9	173.6	-66	0	0	0	0	113	N419	S377-N419 PolarHBondContact OG-ND2 3.47Å
378	T	51.3	Low	65.2	Low	80 Å²	80	79.7 Å²	79.7	49%	0.491	41%	0.407	S	S	.	.	S	Bend	trans	-92.7	-23.1	-161.7	57.2	0	0	0	0	115.9	D376 K380 L381	D376-T378 PolarHBondContact OD1-N 2.88Å; D376-T378 PolarHBondContact OD1-OG1 3.46Å; D376-T378 PolarHBondContact OD2-OG1 2.84Å; D376-T378 VanDerWaalsContact OD2-OG1 3.06Å; T378-K380 VanDerWaalsContact C-N 3.33Å; T378-K380 PolarHBondContact O-N 3.24Å; T378-L381 PolarHBondContact O-N 2.86Å; T378-L381 VanDerWaalsContact O-N 3.08Å
379	Q	46.8	Very low	62.2	Low	57 Å²	57	83.7 Å²	83.7	27%	0.266	43%	0.427	S	S	.	.	H	α-helix	trans	-60.4	-32.7	-173.9	-95	-174.9	-2.3	0	0	114.9	L381 D382 D383 L416 T418	Q379-L381 PolarHBondContact O-N 3.28Å; Q379-D382 PolarHBondContact O-N 2.97Å; Q379-D383 WeakPolarHBondContact O-CB 3.24Å; Q379-D383 PolarHBondContact O-N 3.02Å; Q379-L416 PolarHBondContact OE1-O 2.82Å; Q379-T418 HydrophobicContact CB-CG2 3.84Å
380	K	42.4	Very low	59.3	Low	110 Å²	110	87.8 Å²	87.8	48%	0.478	44%	0.442	S	S	.	.	H	α-helix	trans	-63.7	-27.1	177.8	-90.9	-170.7	177.5	180	0	113.6	T378 M384	T378-K380 VanDerWaalsContact C-N 3.33Å; T378-K380 PolarHBondContact O-N 3.24Å; K380-M384 VanDerWaalsContact O-CB 3.32Å; K380-M384 WeakPolarHBondContact O-CB 3.35Å; K380-M384 WeakPolarHBondContact O-CE 3.46Å; K380-M384 PolarHBondContact O-N 3.33Å; K380-M384 VanDerWaalsContact O-N 3.14Å
381	L	39.5	Very low	56.6	Low	107 Å²	107	90.3 Å²	90.3	56%	0.56	45%	0.451	S	S	*	.	H	α-helix	trans	-77.6	-38.1	178.8	-160.3	73.5	0	0	0	111	T378 Q379 K385	T378-L381 PolarHBondContact O-N 2.86Å; T378-L381 VanDerWaalsContact O-N 3.08Å; Q379-L381 PolarHBondContact O-N 3.28Å; L381-K385 WeakPolarHBondContact O-CB 3.49Å; L381-K385 WeakPolarHBondContact O-CG 3.31Å; L381-K385 PolarHBondContact O-N 2.88Å
382	D	37.4	Very low	53.7	Low	82 Å²	82	88 Å²	88	44%	0.439	45%	0.45	S	S	.	.	H	α-helix	trans	-79.3	-33.1	179	-72.5	-19.7	0	0	0	112.8	Q379 K385 K386	Q379-D382 PolarHBondContact O-N 2.97Å; D382-K385 PolarHBondContact O-N 3.38Å; D382-K386 VanDerWaalsContact O-CB 3.29Å; D382-K386 WeakPolarHBondContact O-CB 3.39Å; D382-K386 VanDerWaalsContact O-CG 3.26Å; D382-K386 WeakPolarHBondContact O-CG 3.23Å; D382-K386 PolarHBondContact O-N 3.26Å
383	D	44.5	Very low	50.6	Low	78 Å²	78	93.9 Å²	93.9	42%	0.417	48%	0.482	S	S	.	.	H	α-helix	trans	-71.8	-33.9	172.2	-70.1	-23	0	0	0	111.8	Q379 A387	Q379-D383 WeakPolarHBondContact O-CB 3.24Å; Q379-D383 PolarHBondContact O-N 3.02Å; D383-A387 WeakPolarHBondContact O-CB 3.26Å; D383-A387 PolarHBondContact O-N 3.08Å
384	M	42.2	Very low	47.5	Very low	108 Å²	108	97.6 Å²	97.6	53%	0.532	50%	0.499	S	S	.	.	H	α-helix	trans	-66.8	-43.5	167.8	-98.1	-174.3	-75.6	0	0	111.6	K380 K386 A387 I388	K380-M384 VanDerWaalsContact O-CB 3.32Å; K380-M384 WeakPolarHBondContact O-CB 3.35Å; K380-M384 WeakPolarHBondContact O-CE 3.46Å; K380-M384 PolarHBondContact O-N 3.33Å; K380-M384 VanDerWaalsContact O-N 3.14Å; M384-K386 VanDerWaalsContact C-N 3.32Å; M384-K386 PolarHBondContact O-N 3.43Å; M384-A387 PolarHBondContact O-N 3.38Å; M384-I388 VanDerWaalsContact O-CB 3.29Å; M384-I388 WeakPolarHBondContact O-CB 3.42Å; M384-I388 WeakPolarHBondContact O-CD1 3.49Å; M384-I388 WeakPolarHBondContact O-CG1 3.29Å; M384-I388 PolarHBondContact O-N 2.84Å
385	K	37.3	Very low	44.4	Very low	109 Å²	109	100.2 Å²	100.2	47%	0.474	52%	0.522	S	S	.	.	H	α-helix	trans	-62.8	-38.4	175.3	-76.4	171.4	-178.5	175.5	0	111.8	L381 D382 I388 N389	L381-K385 WeakPolarHBondContact O-CB 3.49Å; L381-K385 WeakPolarHBondContact O-CG 3.31Å; L381-K385 PolarHBondContact O-N 2.88Å; D382-K385 PolarHBondContact O-N 3.38Å; K385-I388 PolarHBondContact O-N 3.38Å; K385-N389 VanDerWaalsContact O-CB 3.26Å; K385-N389 WeakPolarHBondContact O-CB 3.46Å; K385-N389 VanDerWaalsContact O-CG 3.27Å; K385-N389 PolarHBondContact O-N 3.26Å; K385-N389 PolarHBondContact O-ND2 2.86Å
386	K	38.3	Very low	41.1	Very low	125 Å²	125	105.2 Å²	105.2	54%	0.543	55%	0.554	S	S	.	*	H	α-helix	trans	-69.4	-41	174.2	-77.1	174.9	-176.9	172.3	0	111.9	D382 M384 I388 N389 Q390	D382-K386 VanDerWaalsContact O-CB 3.29Å; D382-K386 WeakPolarHBondContact O-CB 3.39Å; D382-K386 VanDerWaalsContact O-CG 3.26Å; D382-K386 WeakPolarHBondContact O-CG 3.23Å; D382-K386 PolarHBondContact O-N 3.26Å; M384-K386 VanDerWaalsContact C-N 3.32Å; M384-K386 PolarHBondContact O-N 3.43Å; K386-I388 VanDerWaalsContact C-N 3.32Å; K386-I388 PolarHBondContact O-N 3.26Å; K386-N389 PolarHBondContact O-N 3.04Å; K386-Q390 VanDerWaalsContact O-CB 3.22Å; K386-Q390 WeakPolarHBondContact O-CB 3.46Å; K386-Q390 VanDerWaalsContact O-CG 3.25Å; K386-Q390 WeakPolarHBondContact O-CG 3.4Å; K386-Q390 PolarHBondContact O-N 2.92Å
387	A	42.9	Very low	38.6	Very low	47 Å²	47	110.2 Å²	110.2	39%	0.388	58%	0.58	S	S	.	*	H	α-helix	trans	-68	-32	175.1	0	0	0	0	0	112.5	D383 M384 K391	D383-A387 WeakPolarHBondContact O-CB 3.26Å; D383-A387 PolarHBondContact O-N 3.08Å; M384-A387 PolarHBondContact O-N 3.38Å; A387-K391 WeakPolarHBondContact O-CB 3.46Å; A387-K391 WeakPolarHBondContact O-CG 3.43Å; A387-K391 PolarHBondContact O-N 2.9Å
388	I	43.7	Very low	36.6	Very low	111 Å²	111	111.2 Å²	111.2	57%	0.569	59%	0.588	S	S	*	*	H	α-helix	trans	-71.4	-44	172.3	-69.8	164.5	0	0	0	110.1	M384 K385 K386 K391 S392	M384-I388 VanDerWaalsContact O-CB 3.29Å; M384-I388 WeakPolarHBondContact O-CB 3.42Å; M384-I388 WeakPolarHBondContact O-CD1 3.49Å; M384-I388 WeakPolarHBondContact O-CG1 3.29Å; M384-I388 PolarHBondContact O-N 2.84Å; K385-I388 PolarHBondContact O-N 3.38Å; K386-I388 VanDerWaalsContact C-N 3.32Å; K386-I388 PolarHBondContact O-N 3.26Å; I388-K391 PolarHBondContact O-N 3.15Å; I388-S392 PolarHBondContact O-N 2.73Å
389	N	35.6	Very low	35.3	Very low	108 Å²	108	112.2 Å²	112.2	58%	0.578	60%	0.598	S	S	*	*	H	α-helix	trans	-72.6	-28.1	177.9	-76.5	-15.2	0	0	0	113.8	K385 K386 S392	K385-N389 VanDerWaalsContact O-CB 3.26Å; K385-N389 WeakPolarHBondContact O-CB 3.46Å; K385-N389 VanDerWaalsContact O-CG 3.27Å; K385-N389 PolarHBondContact O-N 3.26Å; K385-N389 PolarHBondContact O-ND2 2.86Å; K386-N389 PolarHBondContact O-N 3.04Å; N389-S392 PolarHBondContact O-N 3.15Å; N389-S392 PolarHBondContact O-OG 3.38Å
390	Q	35.2	Very low	34.4	Very low	145 Å²	145	115.5 Å²	115.5	68%	0.678	62%	0.622	S	S	*	*	H	α-helix	trans	-76.9	-25.5	173.4	-77.4	179.7	-3.1	0	0	111.9	K386 S392	K386-Q390 VanDerWaalsContact O-CB 3.22Å; K386-Q390 WeakPolarHBondContact O-CB 3.46Å; K386-Q390 VanDerWaalsContact O-CG 3.25Å; K386-Q390 WeakPolarHBondContact O-CG 3.4Å; K386-Q390 PolarHBondContact O-N 2.92Å; Q390-S392 VanDerWaalsContact C-N 3.3Å
391	K	36.2	Very low	33.5	Very low	190 Å²	190	118.5 Å²	118.5	83%	0.826	64%	0.642	S	S	*	*	H	α-helix	trans	-76.6	-14.9	171	-78.4	-178.1	178.7	-176.8	0	113.5	A387 I388	A387-K391 WeakPolarHBondContact O-CB 3.46Å; A387-K391 WeakPolarHBondContact O-CG 3.43Å; A387-K391 PolarHBondContact O-N 2.9Å; I388-K391 PolarHBondContact O-N 3.15Å
392	S	35.3	Very low	32.7	Very low	76 Å²	76	118 Å²	118	53%	0.531	65%	0.647	S	S	.	*	S	Bend	trans	-93.4	-7.5	177.2	59.3	0	0	0	0	115.1	I388 N389 Q390	I388-S392 PolarHBondContact O-N 2.73Å; N389-S392 PolarHBondContact O-N 3.15Å; N389-S392 PolarHBondContact O-OG 3.38Å; Q390-S392 VanDerWaalsContact C-N 3.3Å
393	N	30.6	Very low	32	Very low	131 Å²	131	120.5 Å²	120.5	70%	0.701	67%	0.665	S	S	*	*			trans	-139.9	80.8	178.1	-84.7	-20.8	0	0	0	112.2
394	H	28.8	Very low	31	Very low	190 Å²	190	123.5 Å²	123.5	88%	0.88	69%	0.686	S	S	*	*			trans	-153.2	87.6	148.3	-102	-34.6	0	0	0	111.8
395	S	27.8	Very low	30.1	Very low	102 Å²	102	126.5 Å²	126.5	71%	0.713	71%	0.705	S	S	*	*			trans	-86.4	126.7	146.6	63.7	0	0	0	0	109.4
396	V	25.2	Very low	29.6	Very low	121 Å²	121	124.9 Å²	124.9	73%	0.733	72%	0.719	S	S	*	*			trans	48.8	101.2	138.6	-170.3	0	0	0	0	117.1
397	N	24.8	Very low	28.8	Very low	162 Å²	162	124.3 Å²	124.3	87%	0.866	73%	0.73	S	S	*	*				-175.2	151.4	109.9	-102	-29.9	0	0	0	114.4
398	S	23.4	Very low	27.9	Very low	97 Å²	97	129.9 Å²	129.9	68%	0.678	75%	0.753	S	S	*	*			trans	-76.6	158.9	-173.5	175.4	0	0	0	0	113.9
399	S	24.4	Very low	27	Very low	100 Å²	100	127.4 Å²	127.4	70%	0.699	76%	0.755	S	S	*	*			trans	58.6	112	147.2	48.4	0	0	0	0	119.1
400	T	26.4	Very low	26.5	Very low	127 Å²	127	129.4 Å²	129.4	78%	0.779	77%	0.771	S	S	*	*				-179.3	122.1	110.6	-67	0	0	0	0	109.1
401	I	23.8	Very low	26.3	Very low	173 Å²	173	128.8 Å²	128.8	89%	0.887	77%	0.772	S	S	*	*			trans	-85.6	114.4	170.3	-67	167	0	0	0	106.5
402	S	23.3	Very low	26	Very low	97 Å²	97	126.9 Å²	126.9	68%	0.678	77%	0.771	S	S	*	*			trans	-147.9	116.3	163.3	59.2	0	0	0	0	110.8
403	T	21.4	Very low	26	Very low	134 Å²	134	130.5 Å²	130.5	82%	0.822	78%	0.779	S	S	*	*			trans	-44.2	129	162.5	40.2	0	0	0	0	114.4
404	T	24.3	Very low	26.4	Very low	140 Å²	140	127.9 Å²	127.9	86%	0.859	77%	0.771	S	S	*	*			trans	-144.3	127.1	143.9	42.5	0	0	0	0	110.8
405	N	23.5	Very low	27.3	Very low	172 Å²	172	123.5 Å²	123.5	92%	0.92	76%	0.758	S	S	*	*			trans	-52.9	142.2	168.5	-70.8	-33.9	0	0	0	112.3
406	G	26	Very low	28.5	Very low	75 Å²	75	122.5 Å²	122.5	77%	0.773	74%	0.744	S	S	*	*			trans	-164.1	75.6	173.2	0	0	0	0	0	110.4
407	C	21.2	Very low	30.8	Very low	113 Å²	113	119.5 Å²	119.5	76%	0.764	72%	0.724	S	S	*	*			trans	-62.2	126.4	161.7	44	0	0	0	0	110.5
408	N	24.2	Very low	33.6	Very low	163 Å²	163	114 Å²	114	87%	0.872	70%	0.696	S	S	*	*			trans	142.5	106.3	146.1	-76.1	-14.5	0	0	0	110.8
409	G	26.4	Very low	36.6	Very low	60 Å²	60	109.6 Å²	109.6	62%	0.619	67%	0.665	S	S	*	*			trans	165.6	94.3	172.8	0	0	0	0	0	107.8	N411	G409-N411 PolarHBondContact O-N 2.86Å
410	V	25.4	Very low	39.8	Very low	149 Å²	149	108.2 Å²	108.2	90%	0.903	65%	0.648	S	S	*	*			trans	-61.9	81.2	162.3	-178.5	0	0	0	0	105.7	D412	V410-D412 VanDerWaalsContact C-N 3.3Å; V410-D412 PolarHBondContact O-N 2.92Å
411	N	29.1	Very low	43.1	Very low	133 Å²	133	102.2 Å²	102.2	71%	0.711	61%	0.61	S	S	*	*			trans	-75	98	168.9	-84	-15.9	0	0	0	105.1	G409 Q413	G409-N411 PolarHBondContact O-N 2.86Å; N411-Q413 HydrophobicContact CB-CG 4.35Å; N411-Q413 PolarHBondContact O-N 3.09Å
412	D	31.8	Very low	46.5	Very low	149 Å²	149	97.9 Å²	97.9	80%	0.797	58%	0.583	S	S	*	*			trans	-54.8	75.7	160.3	-159.3	8.4	0	0	0	108.1	V410 S414	V410-D412 VanDerWaalsContact C-N 3.3Å; V410-D412 PolarHBondContact O-N 2.92Å; D412-S414 PolarHBondContact O-N 2.89Å
413	Q	33.4	Very low	50	Low	153 Å²	153	93.6 Å²	93.6	72%	0.715	55%	0.553	S	S	*	*			trans	-74.6	71.6	171.1	-74	-170.7	-2.5	0	0	107.1	N411 T415	N411-Q413 HydrophobicContact CB-CG 4.35Å; N411-Q413 PolarHBondContact O-N 3.09Å; Q413-T415 PolarHBondContact O-N 3.14Å
414	S	40.2	Very low	53.5	Low	76 Å²	76	89.5 Å²	89.5	53%	0.531	53%	0.525	S	S	.	.			trans	-62	85.8	151.1	118.9	0	0	0	0	105.5	D412 L416	D412-S414 PolarHBondContact O-N 2.89Å; S414-L416 PolarHBondContact O-N 3.38Å; S414-L416 WeakPolarHBondContact OG-CG 3.32Å
415	T	48	Very low	56.9	Low	97 Å²	97	83.2 Å²	83.2	60%	0.595	49%	0.485	S	S	*	.			trans	-63.9	84.1	163.8	28.6	0	0	0	0	106.7	Q413 L417	Q413-T415 PolarHBondContact O-N 3.14Å; T415-L417 PolarHBondContact O-N 3.3Å; T415-L417 VanDerWaalsContact O-N 3.1Å
416	L	52.9	Low	60.4	Low	82 Å²	82	75.2 Å²	75.2	43%	0.429	44%	0.443	S	S	.	.			trans	-57	115.6	176.6	-70.4	165.6	0	0	0	107.8	Q379 S414	Q379-L416 PolarHBondContact OE1-O 2.82Å; S414-L416 PolarHBondContact O-N 3.38Å; S414-L416 WeakPolarHBondContact OG-CG 3.32Å
417	L	72.8	Confident	63.8	Low	58 Å²	58	71.6 Å²	71.6	30%	0.304	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-72.2	136.4	-179.6	-70.5	170.4	0	0	0	110.1	L210 R375 D376 T415 D428	L210-L417 HydrophobicContact CD1-CD1 3.62Å; L210-L417 HydrophobicContact CD1-CG 4.15Å; L210-L417 HydrophobicContact CD2-CD1 3.86Å; L210-L417 HydrophobicContact CG-CD1 4.33Å; R375-L417 WeakPolarHBondContact CA-O 3.44Å; R375-L417 WeakPolarHBondContact CB-O 3.41Å; R375-L417 HydrophobicContact CG-CB 3.98Å; D376-L417 PolarHBondContact N-O 3.05Å; T415-L417 PolarHBondContact O-N 3.3Å; T415-L417 VanDerWaalsContact O-N 3.1Å; L417-D428 WeakPolarHBondContact CD1-OD2 3.38Å
418	T	83.9	Confident	67.4	Low	46 Å²	46	66.3 Å²	66.3	28%	0.282	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-77.9	145.9	176.9	64.5	0	0	0	0	112.1	Q379 Q420	Q379-T418 HydrophobicContact CB-CG2 3.84Å; T418-Q420 PolarHBondContact O-N 2.74Å
419	N	87	Confident	70.9	Confident	5 Å²	5	58.5 Å²	58.5	3%	0.027	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-54.5	125.6	173.8	-76.9	-6.6	0	0	0	113.6	R375 D376 S377	R375-N419 WeakPolarHBondContact CB-OD1 3.18Å; R375-N419 PolarHBondContact O-OD1 3.06Å; D376-N419 PolarHBondContact O-N 3.15Å; S377-N419 PolarHBondContact OG-ND2 3.47Å
420	Q	91.5	Very high	74.3	Confident	71 Å²	71	56.3 Å²	56.3	33%	0.332	30%	0.304	S	S	.	.			trans	-97.7	-9.5	174.4	-64.4	179	7.1	0	0	112	R375 T418 E426 R564	R375-Q420 VanDerWaalsContact NH1-CG 3.34Å; T418-Q420 PolarHBondContact O-N 2.74Å; Q420-E426 PolarHBondContact N-OE1 3.35Å; Q420-E426 PolarHBondContact N-OE2 2.68Å; Q420-E426 VanDerWaalsContact N-OE2 3.14Å; Q420-R564 VanDerWaalsContact O-CB 3.32Å; Q420-R564 WeakPolarHBondContact O-CB 3.27Å; Q420-R564 WeakPolarHBondContact O-CG 3.3Å; Q420-R564 PolarHBondContact O-N 3.15Å
421	T	95.3	Very high	77.7	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-124.5	173.4	-176.3	76.7	0	0	0	0	113.1	C237 C423 E426 R562 R564	C237-T421 HydrophobicContact CB-CG2 4.05Å; C237-T421 VanDerWaalsContact SG-CG2 3.58Å; T421-C423 PolarHBondContact OG1-N 3.01Å; T421-E426 WeakPolarHBondContact CA-OE2 3.33Å; T421-E426 WeakPolarHBondContact CB-OE2 3.3Å; T421-E426 PolarHBondContact N-OE2 3.47Å; T421-E426 PolarHBondContact OG1-OE2 3.48Å; T421-R562 CarbonylContact C-O 3.58Å; T421-R562 WeakPolarHBondContact CA-O 3.32Å; T421-R562 WeakPolarHBondContact CB-O 3.27Å; T421-R564 PolarHBondContact O-NE 3.4Å; T421-R564 PolarHBondContact O-NH2 2.72Å
422	R	94.3	Very high	80.9	Confident	82 Å²	82	51.7 Å²	51.7	31%	0.309	27%	0.268	S	S	.	.	S	Bend	trans	-95.7	3.1	173.2	-60.5	-177.5	-174.2	-74.3	-0.7	112.6	R562 R564	R422-R562 PolarHBondContact N-O 3.45Å; R422-R564 HydrophobicContact CG-CG 4.26Å
423	C	96.3	Very high	84	Confident	7 Å²	7	45.7 Å²	45.7	5%	0.047	24%	0.239	C	C	.	.			trans	-62.7	148.8	175.5	-67	0	0	0	0	110.6	S235 C237 T421 I425	S235-C423 WeakPolarHBondContact OG-CA 3.46Å; C237-C423 HydrophobicContact CB-CB 3.92Å; T421-C423 PolarHBondContact OG1-N 3.01Å; C423-I425 VanDerWaalsContact C-N 3.33Å
424	Q	95.4	Very high	87	Confident	49 Å²	49	39.3 Å²	39.3	23%	0.229	21%	0.21	C	C	.	.	S	Bend	trans	-69.2	-35	176.7	-63.2	-176.7	-75.9	0	0	111.6	R183 L185 H234 S235	R183-Q424 PolarHBondContact O-NE2 3.39Å; L185-Q424 HydrophobicContact CB-CB 4.49Å; L185-Q424 HydrophobicContact CD2-CB 4.44Å; L185-Q424 WeakPolarHBondContact CD2-O 3.29Å; H234-Q424 VanDerWaalsContact CA-OE1 3.3Å; H234-Q424 PolarHBondContact ND1-OE1 3.22Å; H234-Q424 VanDerWaalsContact ND1-OE1 3.13Å; S235-Q424 PolarHBondContact O-N 3.18Å; S235-Q424 PolarHBondContact OG-N 3.31Å
425	I	96.4	Very high	89.8	Confident	7 Å²	7	39.1 Å²	39.1	4%	0.036	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.2	176.5	-55.6	173.8	0	0	0	108.1	L185 L188 I195 T230 H234 S235 V236 C237 L374 C423 F427	L185-I425 HydrophobicContact CD1-CD1 3.85Å; L185-I425 HydrophobicContact CD1-CG1 3.89Å; L185-I425 HydrophobicContact CD2-CD1 4.35Å; L185-I425 HydrophobicContact CD2-CG1 3.49Å; L185-I425 VanDerWaalsContact CD2-CG1 3.49Å; L185-I425 HydrophobicContact CG-CG1 4.34Å; L188-I425 HydrophobicContact CD1-CD1 4Å; L188-I425 HydrophobicContact CD1-CG1 4Å; L188-I425 HydrophobicContact CD1-CG2 4.08Å; I195-I425 HydrophobicContact CD1-CG2 3.74Å; I195-I425 HydrophobicContact CG2-CD1 4.39Å; I195-I425 HydrophobicContact CG2-CG2 4.22Å; T230-I425 HydrophobicContact CG2-CD1 3.93Å; H234-I425 HydrophobicContact CB-CD1 4.09Å; S235-I425 PolarHBondContact O-N 3.31Å; V236-I425 CarbonylContact C-O 3.58Å; V236-I425 WeakPolarHBondContact CA-O 3.26Å; V236-I425 HydrophobicContact CG1-CB 4.36Å; V236-I425 HydrophobicContact CG1-CG2 4.3Å; V236-I425 HydrophobicContact CG2-CB 4.17Å; V236-I425 HydrophobicContact CG2-CD1 4.09Å; C237-I425 PolarHBondContact N-O 3.36Å; L374-I425 HydrophobicContact CD2-CG2 4.49Å; C423-I425 VanDerWaalsContact C-N 3.33Å; I425-F427 HydrophobicContact CG2-CD1 4.04Å
426	E	97.1	Very high	92.1	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.019	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	125.9	174.3	-171.3	176.2	158.7	0	0	109.3	C237 H239 R375 Q420 T421	C237-E426 HydrophobicContact CB-CG 4.27Å; C237-E426 WeakPolarHBondContact O-CA 3.3Å; H239-E426 IonicContact CD2-OE1 2.72Å; H239-E426 IonicContact CE1-OE1 3.55Å; H239-E426 VanDerWaalsContact NE2-CG 3.34Å; H239-E426 WeakPolarHBondContact NE2-CG 3.47Å; H239-E426 IonicContact NE2-OE1 3.91Å; H239-E426 PolarHBondContact NE2-OE1 2.84Å; R375-E426 HydrophobicContact CB-CB 4.39Å; R375-E426 HydrophobicContact CB-CG 4.3Å; R375-E426 WeakPolarHBondContact CD-OE1 3.38Å; R375-E426 HydrophobicContact CG-CG 4.38Å; R375-E426 IonicContact CZ-OE1 3.08Å; R375-E426 PolarHBondContact N-O 3.24Å; R375-E426 IonicContact NE-OE1 2.7Å; R375-E426 IonicContact NH1-OE1 2.93Å; R375-E426 PolarHBondContact NH1-OE1 2.86Å; Q420-E426 PolarHBondContact N-OE1 3.35Å; Q420-E426 PolarHBondContact N-OE2 2.68Å; Q420-E426 VanDerWaalsContact N-OE2 3.14Å; T421-E426 WeakPolarHBondContact CA-OE2 3.33Å; T421-E426 WeakPolarHBondContact CB-OE2 3.3Å; T421-E426 PolarHBondContact N-OE2 3.47Å; T421-E426 PolarHBondContact OG1-OE2 3.48Å
427	F	96.8	Very high	94.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	159.2	-177.3	67.7	-92.8	0	0	0	113	I195 F197 V236 C237 A238 H239 A367 Y372 H373 L374 I425 I429	I195-F427 HydrophobicContact CB-CE1 4.33Å; I195-F427 HydrophobicContact CD1-CD1 3.67Å; I195-F427 HydrophobicContact CD1-CE1 3.93Å; I195-F427 HydrophobicContact CD1-CG 4.26Å; I195-F427 HydrophobicContact CG2-CE1 4.02Å; F197-F427 HydrophobicContact CE1-CE1 4.19Å; F197-F427 AromaticContact CE1-CZ 3.91Å; F197-F427 HydrophobicContact CE1-CZ 3.91Å; F197-F427 HydrophobicContact CZ-CZ 4.49Å; V236-F427 HydrophobicContact CG1-CD1 4.35Å; V236-F427 HydrophobicContact CG1-CE1 3.7Å; C237-F427 PolarHBondContact O-N 2.89Å; A238-F427 HydrophobicContact CB-CD2 4.39Å; A238-F427 HydrophobicContact CB-CE1 3.88Å; A238-F427 HydrophobicContact CB-CE2 3.71Å; A238-F427 HydrophobicContact CB-CZ 3.42Å; A238-F427 VanDerWaalsContact CB-CZ 3.42Å; H239-F427 PolarHBondContact CD2-O 2.75Å; H239-F427 PolarHBondContact N-O 3.09Å; A367-F427 HydrophobicContact CB-CD2 4.46Å; A367-F427 HydrophobicContact CB-CE1 4.49Å; A367-F427 HydrophobicContact CB-CE2 3.59Å; A367-F427 HydrophobicContact CB-CZ 3.6Å; Y372-F427 HydrophobicContact CD2-CB 3.91Å; Y372-F427 HydrophobicContact CD2-CD2 4.32Å; Y372-F427 HydrophobicContact CD2-CG 4.16Å; Y372-F427 HydrophobicContact CG-CD2 4.21Å; Y372-F427 HydrophobicContact CG-CG 4.48Å; H373-F427 CarbonylContact O-C 3.57Å; H373-F427 WeakPolarHBondContact O-CA 3.49Å; H373-F427 WeakPolarHBondContact O-CB 3.37Å; L374-F427 HydrophobicContact CD2-CB 4.23Å; I425-F427 HydrophobicContact CG2-CD1 4.04Å; F427-I429 HydrophobicContact CD2-CB 4.07Å; F427-I429 HydrophobicContact CD2-CG2 4.24Å; F427-I429 HydrophobicContact CE2-CB 3.91Å; F427-I429 HydrophobicContact CE2-CD1 4.36Å; F427-I429 HydrophobicContact CE2-CG2 3.75Å
428	D	97.1	Very high	95.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	136.1	173.3	-61.8	-88.7	0	0	0	110.5	L210 M213 H239 H241 Y372 H373 R375 L417	L210-D428 HydrophobicContact CD2-CB 3.74Å; M213-D428 HydrophobicContact CE-CB 4.02Å; H239-D428 WeakPolarHBondContact CB-OD1 3.41Å; H239-D428 IonicContact CG-OD1 3.6Å; H239-D428 WeakPolarHBondContact O-CA 3.15Å; H241-D428 IonicContact CD2-OD1 4Å; H241-D428 IonicContact CE1-OD1 2.63Å; H241-D428 IonicContact NE2-OD1 3.72Å; H241-D428 PolarHBondContact NE2-OD1 2.68Å; Y372-D428 CarbonylContact C-O 3.52Å; Y372-D428 VanDerWaalsContact CA-O 3.29Å; Y372-D428 WeakPolarHBondContact CA-O 3.2Å; H373-D428 HydrophobicContact CB-CB 4.48Å; H373-D428 PolarHBondContact N-O 3.05Å; H373-D428 PolarHBondContact O-N 2.87Å; R375-D428 VanDerWaalsContact CG-OD2 3.25Å; R375-D428 WeakPolarHBondContact CG-OD2 3.49Å; R375-D428 IonicContact CZ-OD1 3.57Å; R375-D428 IonicContact CZ-OD2 2.91Å; R375-D428 IonicContact NE-OD1 2.76Å; R375-D428 PolarHBondContact NE-OD1 2.67Å; R375-D428 IonicContact NE-OD2 3.86Å; R375-D428 PolarHBondContact NE-OD2 3.5Å; R375-D428 IonicContact NH2-OD1 2.94Å; R375-D428 PolarHBondContact NH2-OD1 3.43Å; R375-D428 IonicContact NH2-OD2 3.49Å; L417-D428 WeakPolarHBondContact CD1-OD2 3.38Å
429	I	97.4	Very high	95.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	149.7	179.7	-168.6	168	0	0	0	110.7	H239 V240 H241 A367 F427 A433 L434	H239-I429 PolarHBondContact O-N 2.97Å; V240-I429 CarbonylContact C-O 3.54Å; V240-I429 WeakPolarHBondContact CA-O 3.05Å; V240-I429 HydrophobicContact CB-CG2 4.46Å; V240-I429 HydrophobicContact CG2-CG2 3.93Å; H241-I429 PolarHBondContact N-O 3.22Å; A367-I429 HydrophobicContact CB-CD1 3.76Å; F427-I429 HydrophobicContact CD2-CB 4.07Å; F427-I429 HydrophobicContact CD2-CG2 4.24Å; F427-I429 HydrophobicContact CE2-CB 3.91Å; F427-I429 HydrophobicContact CE2-CD1 4.36Å; F427-I429 HydrophobicContact CE2-CG2 3.75Å; I429-A433 HydrophobicContact CD1-CB 4.27Å; I429-A433 HydrophobicContact CG1-CB 4.01Å; I429-L434 HydrophobicContact CD1-CD1 4.07Å; I429-L434 HydrophobicContact CG2-CD1 4.24Å
430	A	97.9	Very high	95.5	Very high	13 Å²	13	38.3 Å²	38.3	11%	0.107	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	139.9	169.6	0	0	0	0	0	110.5	M213 P214 D432 A433	M213-A430 HydrophobicContact SD-CB 3.97Å; M213-A430 PolarHBondContact SD-N 3.31Å; P214-A430 HydrophobicContact CG-CB 3.82Å; A430-D432 VanDerWaalsContact CB-OD1 3.25Å; A430-D432 WeakPolarHBondContact CB-OD1 3.15Å; A430-D432 PolarHBondContact O-N 3.02Å; A430-A433 HydrophobicContact CB-CB 4.17Å; A430-A433 PolarHBondContact O-N 3.29Å
431	W	97.2	Very high	95.3	Very high	80 Å²	80	37.9 Å²	37.9	30%	0.303	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-58.9	-31.4	-176	76.7	-83.6	0	0	0	114.4	V240 H241 F243 F353 T357	V240-W431 HydrophobicContact CG1-CB 3.57Å; H241-W431 WeakPolarHBondContact O-CB 3.24Å; H241-W431 PolarHBondContact O-N 3.23Å; F243-W431 HydrophobicContact CB-CB 4.08Å; F243-W431 HydrophobicContact CB-CG 4.07Å; F243-W431 AromaticContact CD2-CD2 3.96Å; F243-W431 HydrophobicContact CD2-CD2 3.96Å; F243-W431 AromaticContact CD2-CE3 3.99Å; F243-W431 HydrophobicContact CD2-CE3 3.99Å; F243-W431 HydrophobicContact CD2-CG 4.28Å; F243-W431 HydrophobicContact CD2-CZ3 4.5Å; F353-W431 HydrophobicContact CE2-CB 4.22Å; T357-W431 HydrophobicContact CG2-CE3 3.96Å; T357-W431 HydrophobicContact CG2-CZ3 4.33Å
432	D	95.8	Very high	94.9	Very high	106 Å²	106	44.4 Å²	44.4	57%	0.567	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-85.6	-6.9	179	58.2	-15.5	0	0	0	113.6	A430	A430-D432 VanDerWaalsContact CB-OD1 3.25Å; A430-D432 WeakPolarHBondContact CB-OD1 3.15Å; A430-D432 PolarHBondContact O-N 3.02Å
433	A	97.4	Very high	94.9	Very high	23 Å²	23	43 Å²	43	19%	0.19	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-94.4	-6.7	173.7	0	0	0	0	0	113.4	P368 K371 I429 A430	P368-A433 WeakPolarHBondContact CD-O 3.29Å; K371-A433 HydrophobicContact CB-CB 4.16Å; K371-A433 HydrophobicContact CD-CB 4.49Å; I429-A433 HydrophobicContact CD1-CB 4.27Å; I429-A433 HydrophobicContact CG1-CB 4.01Å; A430-A433 HydrophobicContact CB-CB 4.17Å; A430-A433 PolarHBondContact O-N 3.29Å
434	L	96.6	Very high	94.5	Very high	19 Å²	19	44.3 Å²	44.3	10%	0.099	25%	0.247	C	C	.	.			trans	-79.4	130	179.8	-163.4	74.3	0	0	0	110.6	L226 F353 M359 V365 I429 V436	L226-L434 HydrophobicContact CD1-CD2 3.76Å; F353-L434 HydrophobicContact CZ-CD2 4.26Å; M359-L434 HydrophobicContact CE-CD2 3.76Å; V365-L434 HydrophobicContact CG1-CD1 3.38Å; V365-L434 HydrophobicContact CG1-CD2 3.63Å; V365-L434 HydrophobicContact CG1-CG 3.45Å; V365-L434 VanDerWaalsContact CG1-CG 3.45Å; I429-L434 HydrophobicContact CD1-CD1 4.07Å; I429-L434 HydrophobicContact CG2-CD1 4.24Å; L434-V436 HydrophobicContact CD2-CG2 4.34Å
435	I	97.8	Very high	94.3	Very high	72 Å²	72	44.5 Å²	44.5	37%	0.369	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.1	173.9	-59.7	-179.4	0	0	0	108.5	V365 E366 P368	V365-I435 CarbonylContact C-O 3.13Å; V365-I435 WeakPolarHBondContact CA-O 3.18Å; E366-I435 HydrophobicContact CB-CB 4.17Å; E366-I435 PolarHBondContact N-O 2.96Å; E366-I435 PolarHBondContact O-N 3.35Å; P368-I435 HydrophobicContact CG-CD1 3.54Å; P368-I435 HydrophobicContact CG-CG1 3.85Å
436	V	97.5	Very high	94.2	Very high	36 Å²	36	45.3 Å²	45.3	22%	0.218	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124.8	177.8	-172.6	0	0	0	0	110.1	M359 V365 L434	M359-V436 HydrophobicContact CB-CG1 3.88Å; M359-V436 HydrophobicContact CB-CG2 4.15Å; M359-V436 HydrophobicContact CE-CG2 3.84Å; M359-V436 HydrophobicContact CG-CG1 4.06Å; V365-V436 HydrophobicContact CG2-CG1 4.5Å; L434-V436 HydrophobicContact CD2-CG2 4.34Å
437	H	97.2	Very high	94.1	Very high	34 Å²	34	45.2 Å²	45.2	16%	0.157	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	133.1	-177.1	-64.8	-74.1	0	0	0	110.9	W364 E366 W443	W364-H437 HydrophobicContact CB-CB 4.15Å; W364-H437 WeakPolarHBondContact O-CB 3.27Å; W364-H437 PolarHBondContact O-N 3.46Å; E366-H437 IonicContact OE2-CE1 2.72Å; E366-H437 PolarHBondContact OE2-CE1 3.34Å; E366-H437 IonicContact OE2-NE2 3.31Å; E366-H437 PolarHBondContact OE2-NE2 3.19Å; H437-W443 HydrophobicContact CB-CB 4.39Å; H437-W443 HydrophobicContact CB-CD2 3.8Å; H437-W443 HydrophobicContact CB-CG 3.74Å; H437-W443 HydrophobicContact CB-CZ2 4.45Å; H437-W443 AromaticContact CD2-CE2 3.86Å; H437-W443 AromaticContact CD2-CH2 3.89Å; H437-W443 AromaticContact CD2-CZ2 3.63Å; H437-W443 AromaticContact CE1-CE2 3.91Å; H437-W443 AromaticContact CE1-CZ2 3.51Å; H437-W443 AromaticContact CG-CD2 3.91Å; H437-W443 AromaticContact CG-CE2 3.43Å; H437-W443 VanDerWaalsContact CG-CE2 3.43Å; H437-W443 AromaticContact CG-CZ2 3.65Å; H437-W443 AromaticContact CG-NE1 3.57Å; H437-W443 AromaticContact ND1-CE2 3.48Å; H437-W443 AromaticContact ND1-CZ2 3.59Å; H437-W443 AromaticContact ND1-NE1 3.32Å; H437-W443 PolarHBondContact ND1-NE1 3.31Å; H437-W443 AromaticContact NE2-CH2 3.9Å; H437-W443 AromaticContact NE2-CZ2 3.53Å
438	S	92.5	Very high	94	Very high	89 Å²	89	47.2 Å²	47.2	62%	0.622	27%	0.266	S	S	*	.			trans	-64.2	137.8	172.2	-71	0	0	0	0	110.3	E440 W443	S438-E440 PolarHBondContact O-N 2.88Å; S438-W443 WeakPolarHBondContact O-CB 3.22Å
439	P	90.9	Very high	93.9	Very high	13 Å²	13	47.3 Å²	47.3	8%	0.084	27%	0.267	C	S	.	.	S	Bend	trans	-77.1	61.1	-176	33.1	-36.6	0	0	0	112	R676	P439-R676 HydrophobicContact CB-CG 4.03Å; P439-R676 HydrophobicContact CG-CB 4.07Å; P439-R676 HydrophobicContact CG-CG 4.06Å
440	E	86.7	Confident	93.9	Very high	98 Å²	98	48.2 Å²	48.2	46%	0.458	27%	0.27	S	S	.	.	S	Bend	trans	-131.4	159.3	177.7	-58.6	-158.7	165.6	0	0	110.6	S438 Q442 W443 K821	S438-E440 PolarHBondContact O-N 2.88Å; E440-Q442 PolarHBondContact O-N 3.48Å; E440-W443 PolarHBondContact O-N 3.12Å; E440-W443 VanDerWaalsContact O-N 3.08Å; E440-K821 IonicContact OE1-NZ 3.89Å; E440-K821 PolarHBondContact OE1-NZ 3.37Å; E440-K821 IonicContact OE2-NZ 3.3Å; E440-K821 PolarHBondContact OE2-NZ 3.41Å
441	G	86.9	Confident	94	Very high	62 Å²	62	48 Å²	48	64%	0.639	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	57.5	-128.2	179.1	0	0	0	0	0	111.8	W443 S444	G441-W443 PolarHBondContact O-N 2.94Å; G441-S444 WeakPolarHBondContact O-CB 3.29Å; G441-S444 PolarHBondContact O-N 2.96Å; G441-S444 VanDerWaalsContact O-N 3.11Å; G441-S444 PolarHBondContact O-OG 3.37Å
442	Q	88.2	Confident	94	Very high	138 Å²	138	44.3 Å²	44.3	65%	0.645	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-60.3	-28.7	178.8	71.5	-176.2	10.1	0	0	113.4	E440 S444	E440-Q442 PolarHBondContact O-N 3.48Å; Q442-S444 VanDerWaalsContact C-N 3.26Å; Q442-S444 PolarHBondContact O-N 3.19Å
443	W	92.8	Very high	94.2	Very high	52 Å²	52	39.2 Å²	39.2	20%	0.197	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-84.6	1.9	-179.1	-54	119.2	0	0	0	113.2	T196 W364 H437 S438 E440 G441 N445 R676	T196-W443 HydrophobicContact CG2-CH2 3.64Å; T196-W443 HydrophobicContact CG2-CZ3 3.5Å; W364-W443 HydrophobicContact CB-CB 4.49Å; W364-W443 HydrophobicContact CB-CD2 4.05Å; W364-W443 HydrophobicContact CB-CE3 3.38Å; W364-W443 HydrophobicContact CB-CZ3 3.89Å; W364-W443 AromaticContact CD1-CE3 3.89Å; W364-W443 AromaticContact CD2-CE3 3.82Å; W364-W443 HydrophobicContact CD2-CE3 3.82Å; W364-W443 HydrophobicContact CD2-CZ3 4.09Å; W364-W443 HydrophobicContact CE3-CE3 4.32Å; W364-W443 HydrophobicContact CE3-CZ3 4.12Å; W364-W443 HydrophobicContact CG-CB 4.43Å; W364-W443 HydrophobicContact CG-CD2 4.31Å; W364-W443 AromaticContact CG-CE3 3.4Å; W364-W443 HydrophobicContact CG-CE3 3.4Å; W364-W443 VanDerWaalsContact CG-CE3 3.4Å; W364-W443 HydrophobicContact CG-CZ3 4.03Å; W364-W443 PolarHBondContact NE1-O 3.48Å; H437-W443 HydrophobicContact CB-CB 4.39Å; H437-W443 HydrophobicContact CB-CD2 3.8Å; H437-W443 HydrophobicContact CB-CG 3.74Å; H437-W443 HydrophobicContact CB-CZ2 4.45Å; H437-W443 AromaticContact CD2-CE2 3.86Å; H437-W443 AromaticContact CD2-CH2 3.89Å; H437-W443 AromaticContact CD2-CZ2 3.63Å; H437-W443 AromaticContact CE1-CE2 3.91Å; H437-W443 AromaticContact CE1-CZ2 3.51Å; H437-W443 AromaticContact CG-CD2 3.91Å; H437-W443 AromaticContact CG-CE2 3.43Å; H437-W443 VanDerWaalsContact CG-CE2 3.43Å; H437-W443 AromaticContact CG-CZ2 3.65Å; H437-W443 AromaticContact CG-NE1 3.57Å; H437-W443 AromaticContact ND1-CE2 3.48Å; H437-W443 AromaticContact ND1-CZ2 3.59Å; H437-W443 AromaticContact ND1-NE1 3.32Å; H437-W443 PolarHBondContact ND1-NE1 3.31Å; H437-W443 AromaticContact NE2-CH2 3.9Å; H437-W443 AromaticContact NE2-CZ2 3.53Å; S438-W443 WeakPolarHBondContact O-CB 3.22Å; E440-W443 PolarHBondContact O-N 3.12Å; E440-W443 VanDerWaalsContact O-N 3.08Å; G441-W443 PolarHBondContact O-N 2.94Å; W443-N445 VanDerWaalsContact C-N 3.27Å; W443-R676 PolarHBondContact O-NH2 2.98Å
444	S	89.7	Confident	94.2	Very high	35 Å²	35	38.2 Å²	38.2	25%	0.245	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-72.6	-22.1	170.9	66.1	0	0	0	0	112.6	G441 Q442 R676	G441-S444 WeakPolarHBondContact O-CB 3.29Å; G441-S444 PolarHBondContact O-N 2.96Å; G441-S444 VanDerWaalsContact O-N 3.11Å; G441-S444 PolarHBondContact O-OG 3.37Å; Q442-S444 VanDerWaalsContact C-N 3.26Å; Q442-S444 PolarHBondContact O-N 3.19Å; S444-R676 PolarHBondContact O-NH1 3.22Å; S444-R676 PolarHBondContact O-NH2 3.36Å
445	N	90.6	Very high	94.3	Very high	52 Å²	52	38 Å²	38	28%	0.278	22%	0.217	S	C	.	.	S	Bend	trans	-57.9	150.4	178.5	-68.5	-15.6	0	0	0	111.7	W364 W443 R676	W364-N445 PolarHBondContact NE1-O 3.15Å; W443-N445 VanDerWaalsContact C-N 3.27Å; N445-R676 PolarHBondContact O-NH2 2.93Å
446	I	93.8	Very high	94.3	Very high	25 Å²	25	34.8 Å²	34.8	13%	0.128	20%	0.2	C	C	.	.			trans	-104.3	132.3	174	-61.5	173.2	0	0	0	107.1	L449 Y483 V669 I672 V837	I446-L449 HydrophobicContact CG2-CD1 4.43Å; I446-Y483 HydrophobicContact CB-CD1 4.2Å; I446-Y483 HydrophobicContact CB-CE1 3.85Å; I446-Y483 HydrophobicContact CD1-CE1 4.05Å; I446-Y483 HydrophobicContact CG2-CD1 3.71Å; I446-Y483 HydrophobicContact CG2-CE1 3.76Å; I446-V669 HydrophobicContact CD1-CG2 4.26Å; I446-I672 HydrophobicContact CD1-CD1 4.07Å; I446-I672 HydrophobicContact CD1-CG2 4.11Å; I446-I672 HydrophobicContact CG1-CD1 4.42Å; I446-I672 HydrophobicContact CG1-CG2 4.23Å; I446-I672 HydrophobicContact CG2-CD1 3.74Å; I446-V837 HydrophobicContact CD1-CG2 3.91Å
447	A	94.7	Very high	94.2	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.008	19%	0.193	C	C	.	.			trans	-62.8	155.6	177.4	0	0	0	0	0	110.9	Q198 I229 W364 L449	Q198-A447 HydrophobicContact CB-CB 3.94Å; I229-A447 HydrophobicContact CB-CB 3.95Å; I229-A447 HydrophobicContact CG2-CB 3.96Å; W364-A447 HydrophobicContact CH2-CB 4.1Å; W364-A447 HydrophobicContact CZ2-CB 4.25Å; A447-L449 PolarHBondContact O-N 2.96Å
448	P	94.6	Very high	94.2	Very high	42 Å²	42	32.3 Å²	32.3	27%	0.273	19%	0.187	S	C	.	.			trans	-72.4	78.4	179.4	30.2	-35.4	0	0	0	110.7	R450 N482	P448-R450 PolarHBondContact O-N 2.98Å; P448-N482 HydrophobicContact CB-CB 4.49Å
449	L	96.7	Very high	94.2	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.016	16%	0.161	C	C	.	.			trans	-66.1	126.6	-179.8	-60.8	179.6	0	0	0	109.5	F200 I229 I446 A447 N482 Y483 D530 I531 I668 I672	F200-L449 HydrophobicContact CD1-CD2 4.27Å; I229-L449 HydrophobicContact CB-CD2 4.24Å; I229-L449 HydrophobicContact CG1-CD2 3.83Å; I446-L449 HydrophobicContact CG2-CD1 4.43Å; A447-L449 PolarHBondContact O-N 2.96Å; L449-N482 CarbonylContact O-C 3.4Å; L449-N482 WeakPolarHBondContact O-CA 3.42Å; L449-Y483 PolarHBondContact O-N 2.7Å; L449-D530 WeakPolarHBondContact CA-OD2 3.43Å; L449-D530 HydrophobicContact CB-CB 4.34Å; L449-D530 HydrophobicContact CD2-CB 4.22Å; L449-I531 HydrophobicContact CB-CD1 4.36Å; L449-I531 HydrophobicContact CD1-CD1 3.82Å; L449-I668 HydrophobicContact CD1-CG2 4.43Å; L449-I672 HydrophobicContact CD1-CD1 4Å
450	R	97.3	Very high	94.1	Very high	19 Å²	19	28.3 Å²	28.3	7%	0.072	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	118.8	176.5	-172.6	173.3	-78	-160.7	-13.8	109.6	W180 P448 V480 F489 V527 P529 D530 I531	W180-R450 PolarHBondContact O-NH1 2.88Å; P448-R450 PolarHBondContact O-N 2.98Å; R450-V480 HydrophobicContact CG-CG1 3.5Å; R450-F489 HydrophobicContact CG-CZ 4.31Å; R450-V527 WeakPolarHBondContact CD-O 3.42Å; R450-V527 PolarHBondContact NH1-O 3.43Å; R450-P529 CarbonylContact O-C 3.59Å; R450-D530 PolarHBondContact N-OD2 3.11Å; R450-D530 PolarHBondContact O-N 3.43Å; R450-I531 PolarHBondContact O-N 2.81Å; R450-I531 VanDerWaalsContact O-N 3.15Å
451	I	98.2	Very high	94.1	Very high	10 Å²	10	28.4 Å²	28.4	5%	0.051	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.9	-175.5	-50.6	177.3	0	0	0	108.4	V480 I481 I531 T533 L659 I668	I451-V480 VanDerWaalsContact O-CA 3.29Å; I451-V480 WeakPolarHBondContact O-CA 3.01Å; I451-I481 HydrophobicContact CB-CG2 4.01Å; I451-I481 HydrophobicContact CD1-CG2 4.49Å; I451-I481 PolarHBondContact N-O 3.3Å; I451-I481 PolarHBondContact O-N 2.62Å; I451-I481 VanDerWaalsContact O-N 3.07Å; I451-I531 WeakPolarHBondContact CA-O 3.48Å; I451-I531 HydrophobicContact CB-CB 4.49Å; I451-I531 HydrophobicContact CG1-CB 4.22Å; I451-I531 HydrophobicContact CG1-CD1 4.27Å; I451-I531 HydrophobicContact CG2-CB 4.23Å; I451-I531 HydrophobicContact CG2-CG2 4.03Å; I451-T533 HydrophobicContact CG2-CG2 3.71Å; I451-L659 HydrophobicContact CB-CD2 4.42Å; I451-L659 HydrophobicContact CG2-CD2 3.74Å; I451-I668 HydrophobicContact CD1-CG1 4.29Å
452	L	98.6	Very high	93.8	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	115.9	170.4	167.2	64.1	0	0	0	109	F454 N478 V480 F523 V524 P529 I531 I532 T533	L452-F454 HydrophobicContact CD1-CB 4.49Å; L452-N478 HydrophobicContact CD1-CB 3.82Å; L452-V480 HydrophobicContact CB-CG2 4.48Å; L452-V480 HydrophobicContact CD1-CG2 3.75Å; L452-F523 HydrophobicContact CD1-CE1 4.16Å; L452-V524 HydrophobicContact CD2-CG2 4.03Å; L452-P529 HydrophobicContact CB-CB 3.59Å; L452-P529 HydrophobicContact CB-CG 3.87Å; L452-P529 HydrophobicContact CD2-CG 3.97Å; L452-I531 PolarHBondContact N-O 2.71Å; L452-I532 CarbonylContact O-C 3.57Å; L452-I532 WeakPolarHBondContact O-CA 3.46Å; L452-T533 PolarHBondContact O-N 3.13Å
453	S	98.7	Very high	93.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	133.1	165.5	-169.9	0	0	0	0	110	N478 M479 T533 A655 L659	S453-N478 WeakPolarHBondContact O-CA 3.37Å; S453-M479 PolarHBondContact N-O 3.08Å; S453-M479 PolarHBondContact O-N 3.05Å; S453-T533 WeakPolarHBondContact CA-O 3.48Å; S453-A655 WeakPolarHBondContact CB-O 3.42Å; S453-A655 PolarHBondContact OG-O 3.01Å; S453-L659 VanDerWaalsContact CB-CG 3.44Å
454	F	98.6	Very high	92.6	Very high	1 Å²	1	28.8 Å²	28.8	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	160.1	179.7	82.2	-78.8	0	0	0	111.9	L452 I456 I476 A477 W520 I532 T533 I537 D541 L542 L545	L452-F454 HydrophobicContact CD1-CB 4.49Å; F454-I456 HydrophobicContact CD2-CG2 4.14Å; F454-I456 HydrophobicContact CE2-CG2 4.04Å; F454-I476 HydrophobicContact CD2-CG2 4.19Å; F454-A477 WeakPolarHBondContact CA-O 3.48Å; F454-A477 WeakPolarHBondContact CB-O 3.36Å; F454-W520 HydrophobicContact CD1-CZ2 4.39Å; F454-W520 HydrophobicContact CD2-CH2 4.44Å; F454-W520 AromaticContact CD2-CZ2 3.74Å; F454-W520 HydrophobicContact CD2-CZ2 3.74Å; F454-W520 HydrophobicContact CE2-CH2 4.12Å; F454-W520 AromaticContact CE2-CZ2 3.88Å; F454-W520 HydrophobicContact CE2-CZ2 3.88Å; F454-W520 HydrophobicContact CG-CZ2 4Å; F454-W520 HydrophobicContact CZ-CH2 4.26Å; F454-W520 HydrophobicContact CZ-CZ2 4.27Å; F454-I532 HydrophobicContact CD1-CG2 3.99Å; F454-I532 HydrophobicContact CE1-CG2 3.65Å; F454-T533 PolarHBondContact N-O 3.45Å; F454-T533 VanDerWaalsContact N-O 3.16Å; F454-I537 HydrophobicContact CD1-CG2 4.32Å; F454-I537 HydrophobicContact CE1-CB 4.1Å; F454-I537 HydrophobicContact CE1-CD1 4.03Å; F454-I537 HydrophobicContact CE1-CG2 3.8Å; F454-I537 HydrophobicContact CE2-CG2 4.4Å; F454-I537 HydrophobicContact CZ-CB 4.06Å; F454-I537 HydrophobicContact CZ-CG2 3.84Å; F454-D541 HydrophobicContact CE2-CB 3.77Å; F454-D541 HydrophobicContact CZ-CB 4.01Å; F454-L542 HydrophobicContact CE1-CD2 4.2Å; F454-L542 HydrophobicContact CE1-CG 4.41Å; F454-L542 HydrophobicContact CZ-CD2 3.72Å; F454-L542 HydrophobicContact CZ-CG 3.88Å; F454-L545 HydrophobicContact CE2-CD1 3.74Å; F454-L545 HydrophobicContact CZ-CD1 4.41Å
455	D	98.3	Very high	92.3	Very high	15 Å²	15	31.4 Å²	31.4	8%	0.08	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	151.9	178.1	179.5	78.8	0	0	0	109.1	I476 A477 C651 D654 A655	D455-I476 WeakPolarHBondContact O-CA 3.18Å; D455-A477 PolarHBondContact N-O 3.29Å; D455-A477 PolarHBondContact O-N 2.95Å; D455-C651 PolarHBondContact O-SG 3.16Å; D455-C651 VanDerWaalsContact O-SG 3.42Å; D455-C651 PolarHBondContact OD2-SG 2.97Å; D455-D654 HydrophobicContact CB-CB 4.06Å; D455-A655 HydrophobicContact CB-CB 4.16Å
456	I	98	Very high	92.3	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.7	179.4	77.5	178.2	0	0	0	112.6	F454 Q475 I476 F540 D541 Y544 L545	F454-I456 HydrophobicContact CD2-CG2 4.14Å; F454-I456 HydrophobicContact CE2-CG2 4.04Å; I456-Q475 WeakPolarHBondContact CA-O 3.29Å; I456-I476 HydrophobicContact CG2-CB 4.48Å; I456-I476 HydrophobicContact CG2-CG1 4.05Å; I456-I476 HydrophobicContact CG2-CG2 4.07Å; I456-F540 HydrophobicContact CD1-CE1 4.32Å; I456-F540 HydrophobicContact CG1-CE1 4.17Å; I456-D541 HydrophobicContact CD1-CB 4.11Å; I456-D541 HydrophobicContact CG1-CB 4.21Å; I456-D541 WeakPolarHBondContact CG1-OD1 3.41Å; I456-D541 HydrophobicContact CG2-CB 4.27Å; I456-D541 PolarHBondContact N-OD1 3.04Å; I456-Y544 HydrophobicContact CD1-CD1 4.09Å; I456-Y544 HydrophobicContact CD1-CG 4.14Å; I456-L545 HydrophobicContact CD1-CG 4.15Å; I456-L545 HydrophobicContact CG2-CD1 3.91Å; I456-L545 HydrophobicContact CG2-CD2 4.2Å; I456-L545 HydrophobicContact CG2-CG 4.13Å
457	E	96.4	Very high	92.2	Very high	14 Å²	14	30.7 Å²	30.7	7%	0.065	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	138.7	167.7	-65.1	-58.1	154.9	0	0	111.2	I474 Q475 I633 L647 Y650 C651	E457-I474 HydrophobicContact CB-CD1 4.38Å; E457-I474 HydrophobicContact CB-CG1 4.06Å; E457-I474 WeakPolarHBondContact O-CG1 3.2Å; E457-I474 PolarHBondContact O-N 3.34Å; E457-Q475 HydrophobicContact CB-CB 4.16Å; E457-Q475 PolarHBondContact N-O 3.22Å; E457-Q475 PolarHBondContact O-N 2.89Å; E457-I633 VanDerWaalsContact OE2-CD1 3.24Å; E457-I633 WeakPolarHBondContact OE2-CD1 3.26Å; E457-L647 HydrophobicContact CB-CD2 4.34Å; E457-L647 HydrophobicContact CG-CD1 4.21Å; E457-L647 HydrophobicContact CG-CG 4.29Å; E457-Y650 WeakPolarHBondContact OE1-CE1 3.48Å; E457-C651 HydrophobicContact CG-CB 3.83Å
458	C	95.6	Very high	92.2	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.034	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.3	-178.2	-59.6	0	0	0	0	110.7	P466 P472 Y544	C458-P466 HydrophobicContact CB-CB 3.73Å; C458-P466 HydrophobicContact CB-CG 4.03Å; C458-P472 CarbonylContact C-O 3.59Å; C458-P472 VanDerWaalsContact CA-O 3.27Å; C458-P472 WeakPolarHBondContact CA-O 3.36Å; C458-Y544 HydrophobicContact CB-CE1 4.34Å; C458-Y544 WeakPolarHBondContact SG-CE1 3.5Å
459	A	93	Very high	92.3	Very high	10 Å²	10	33.9 Å²	33.9	8%	0.083	18%	0.176	C	C	.	.			trans	-79.7	131.9	171.2	0	0	0	0	0	109.5	D471 P472 I474 T634	A459-D471 VanDerWaalsContact O-CB 3.28Å; A459-D471 WeakPolarHBondContact O-CB 3.46Å; A459-P472 HydrophobicContact CB-CG 4.16Å; A459-P472 PolarHBondContact N-O 2.74Å; A459-P472 WeakPolarHBondContact O-CD 3.38Å; A459-I474 HydrophobicContact CB-CD1 4.19Å; A459-I474 HydrophobicContact CB-CG2 3.77Å; A459-T634 HydrophobicContact CB-CG2 4.31Å
460	S	88.1	Confident	92.2	Very high	7 Å²	7	39.5 Å²	39.5	5%	0.049	20%	0.201	C	C	.	.			trans	-119.4	157.4	-174.8	59.9	0	0	0	0	112	V464 T634	S460-V464 VanDerWaalsContact CB-O 3.28Å; S460-V464 WeakPolarHBondContact CB-O 3.44Å; S460-V464 PolarHBondContact OG-O 3.28Å; S460-T634 PolarHBondContact N-OG1 3.45Å; S460-T634 PolarHBondContact O-OG1 2.93Å
461	R	88.3	Confident	92.1	Very high	100 Å²	100	38.9 Å²	38.9	38%	0.377	20%	0.198	S	C	.	.			trans	-66.4	141	167.4	-69.3	159.9	-71.3	142.7	6.2	109.6	G463 V464 V467 D471	R461-G463 PolarHBondContact O-N 2.99Å; R461-V464 PolarHBondContact O-N 3.28Å; R461-V467 VanDerWaalsContact NH2-CG2 3.26Å; R461-D471 IonicContact CZ-OD1 3.81Å; R461-D471 IonicContact CZ-OD2 3.53Å; R461-D471 PolarHBondContact N-OD1 3.11Å; R461-D471 IonicContact NE-OD1 3.79Å; R461-D471 PolarHBondContact NE-OD1 3.19Å; R461-D471 IonicContact NE-OD2 3.63Å; R461-D471 IonicContact NH2-OD1 3.13Å; R461-D471 IonicContact NH2-OD2 3.9Å; R461-D471 PolarHBondContact NH2-OD2 3.43Å
462	K	79.4	Confident	92	Very high	165 Å²	165	40 Å²	40	72%	0.717	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52	126.9	-175.9	-70.4	-164.9	174.5	-164.2	0	112.1	V464 D635	K462-V464 VanDerWaalsContact C-N 3.3Å; K462-V464 PolarHBondContact O-N 2.94Å; K462-D635 IonicContact NZ-OD1 2.73Å
463	G	75.5	Confident	92	Very high	36 Å²	36	40 Å²	40	37%	0.371	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	13.7	178.5	0	0	0	0	0	114.9	R461 N631	R461-G463 PolarHBondContact O-N 2.99Å; G463-N631 PolarHBondContact N-OD1 3.3Å
464	V	81.5	Confident	92	Very high	60 Å²	60	40 Å²	40	36%	0.364	21%	0.207	S	C	.	.	S	Bend	trans	-127.7	132.9	178.2	-172.6	0	0	0	0	108.6	S460 R461 K462	S460-V464 VanDerWaalsContact CB-O 3.28Å; S460-V464 WeakPolarHBondContact CB-O 3.44Å; S460-V464 PolarHBondContact OG-O 3.28Å; R461-V464 PolarHBondContact O-N 3.28Å; K462-V464 VanDerWaalsContact C-N 3.3Å; K462-V464 PolarHBondContact O-N 2.94Å
465	F	83.6	Confident	92	Very high	89 Å²	89	40 Å²	40	39%	0.39	21%	0.207	S	C	.	.			trans	-65.9	139.7	172.1	-168.9	-96.1	0	0	0	110	V467 F540	F465-V467 PolarHBondContact O-N 2.93Å; F465-F540 HydrophobicContact CE1-CD2 4.19Å; F465-F540 AromaticContact CE1-CE2 3.51Å; F465-F540 HydrophobicContact CE1-CE2 3.51Å; F465-F540 HydrophobicContact CE1-CZ 4.14Å; F465-F540 HydrophobicContact CZ-CD2 4.37Å; F465-F540 AromaticContact CZ-CE2 3.75Å; F465-F540 HydrophobicContact CZ-CE2 3.75Å; F465-F540 HydrophobicContact CZ-CZ 4.02Å
466	P	89.4	Confident	92	Very high	11 Å²	11	39.3 Å²	39.3	7%	0.071	20%	0.203	C	C	.	.			trans	-57.5	137.3	-175.2	21.4	-33.5	0	0	0	112.5	C458 D471 F540 Y544	C458-P466 HydrophobicContact CB-CB 3.73Å; C458-P466 HydrophobicContact CB-CG 4.03Å; P466-D471 HydrophobicContact CB-CB 4.05Å; P466-F540 HydrophobicContact CG-CZ 4.4Å; P466-Y544 HydrophobicContact CB-CE2 4.02Å
467	V	92.6	Very high	92	Very high	51 Å²	51	39.1 Å²	39.1	31%	0.309	20%	0.202	S	C	.	.			trans	-126.5	135.5	172.9	-67.4	0	0	0	0	111.3	R461 F465 D469 K470 D471 Y544	R461-V467 VanDerWaalsContact NH2-CG2 3.26Å; F465-V467 PolarHBondContact O-N 2.93Å; V467-D469 WeakPolarHBondContact CB-OD1 3.38Å; V467-D469 WeakPolarHBondContact CG2-OD1 3.41Å; V467-D469 PolarHBondContact O-N 2.82Å; V467-D469 VanDerWaalsContact O-N 3.1Å; V467-K470 HydrophobicContact CG2-CB 4.38Å; V467-K470 PolarHBondContact O-N 3.25Å; V467-D471 VanDerWaalsContact CG2-OD2 3.25Å; V467-D471 WeakPolarHBondContact CG2-OD2 3.31Å; V467-D471 PolarHBondContact N-OD2 3.16Å; V467-D471 WeakPolarHBondContact O-CB 3.22Å; V467-D471 PolarHBondContact O-N 2.79Å; V467-Y544 VanDerWaalsContact C-OH 3.31Å; V467-Y544 PolarHBondContact O-OH 3.28Å
468	P	95.1	Very high	92.1	Very high	25 Å²	25	38.4 Å²	38.4	16%	0.162	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-18.8	-167.1	25.7	-35	0	0	0	114.3	K470 Y544 N547 R548	P468-K470 VanDerWaalsContact C-N 3.27Å; P468-K470 PolarHBondContact O-N 2.93Å; P468-Y544 HydrophobicContact CB-CD1 4.1Å; P468-Y544 HydrophobicContact CB-CD2 4.2Å; P468-Y544 HydrophobicContact CB-CE1 4.03Å; P468-Y544 HydrophobicContact CB-CE2 4.16Å; P468-Y544 HydrophobicContact CB-CG 4.17Å; P468-Y544 HydrophobicContact CG-CD2 4.35Å; P468-Y544 HydrophobicContact CG-CE2 4.43Å; P468-N547 HydrophobicContact CB-CB 3.76Å; P468-N547 HydrophobicContact CG-CB 3.65Å; P468-R548 HydrophobicContact CB-CB 4.1Å; P468-R548 WeakPolarHBondContact O-CD 3.46Å; P468-R548 PolarHBondContact O-NH1 3.02Å; P468-R548 VanDerWaalsContact O-NH1 3.13Å
469	D	95.2	Very high	92.2	Very high	85 Å²	85	38.2 Å²	38.2	46%	0.455	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-23.1	175.9	60.5	-54.8	0	0	0	113	V467	V467-D469 WeakPolarHBondContact CB-OD1 3.38Å; V467-D469 WeakPolarHBondContact CG2-OD1 3.41Å; V467-D469 PolarHBondContact O-N 2.82Å; V467-D469 VanDerWaalsContact O-N 3.1Å
470	K	94.3	Very high	92.5	Very high	122 Å²	122	37.7 Å²	37.7	53%	0.53	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-42.8	-172.1	-71.4	167.9	-172.9	168.1	0	113.5	V467 P468	V467-K470 HydrophobicContact CG2-CB 4.38Å; V467-K470 PolarHBondContact O-N 3.25Å; P468-K470 VanDerWaalsContact C-N 3.27Å; P468-K470 PolarHBondContact O-N 2.93Å
471	D	95.7	Very high	92.8	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.027	20%	0.196	C	C	.	.	S	Bend	trans	-97	123.2	-163.6	-61.4	-55.6	0	0	0	109.4	A459 R461 P466 V467 Y544	A459-D471 VanDerWaalsContact O-CB 3.28Å; A459-D471 WeakPolarHBondContact O-CB 3.46Å; R461-D471 IonicContact CZ-OD1 3.81Å; R461-D471 IonicContact CZ-OD2 3.53Å; R461-D471 PolarHBondContact N-OD1 3.11Å; R461-D471 IonicContact NE-OD1 3.79Å; R461-D471 PolarHBondContact NE-OD1 3.19Å; R461-D471 IonicContact NE-OD2 3.63Å; R461-D471 IonicContact NH2-OD1 3.13Å; R461-D471 IonicContact NH2-OD2 3.9Å; R461-D471 PolarHBondContact NH2-OD2 3.43Å; P466-D471 HydrophobicContact CB-CB 4.05Å; V467-D471 VanDerWaalsContact CG2-OD2 3.25Å; V467-D471 WeakPolarHBondContact CG2-OD2 3.31Å; V467-D471 PolarHBondContact N-OD2 3.16Å; V467-D471 WeakPolarHBondContact O-CB 3.22Å; V467-D471 PolarHBondContact O-N 2.79Å; D471-Y544 WeakPolarHBondContact CB-OH 3.35Å; D471-Y544 PolarHBondContact O-OH 3.07Å
472	P	97.1	Very high	93.2	Very high	35 Å²	35	34.8 Å²	34.8	23%	0.227	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-76	147.2	-170.7	30.4	-37	0	0	0	113.4	C458 A459 I474 E513	C458-P472 CarbonylContact C-O 3.59Å; C458-P472 VanDerWaalsContact CA-O 3.27Å; C458-P472 WeakPolarHBondContact CA-O 3.36Å; A459-P472 HydrophobicContact CB-CG 4.16Å; A459-P472 PolarHBondContact N-O 2.74Å; A459-P472 WeakPolarHBondContact O-CD 3.38Å; P472-I474 HydrophobicContact CB-CG2 4.48Å; P472-I474 HydrophobicContact CG-CG2 4.24Å; P472-E513 VanDerWaalsContact CA-OE1 3.29Å; P472-E513 WeakPolarHBondContact CA-OE1 3.42Å; P472-E513 WeakPolarHBondContact CB-OE2 3.4Å
473	V	98.2	Very high	93.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	124.8	161.8	179	0	0	0	0	107.7	I476 E513 L516 L517 Y544 L545 R548	V473-I476 HydrophobicContact CG1-CD1 4.11Å; V473-I476 HydrophobicContact CG1-CG1 3.77Å; V473-E513 PolarHBondContact N-OE1 3.06Å; V473-L516 HydrophobicContact CG1-CD2 4.29Å; V473-L517 HydrophobicContact CB-CD2 4.35Å; V473-L517 HydrophobicContact CG1-CD2 4.46Å; V473-L517 HydrophobicContact CG2-CD2 4.44Å; V473-Y544 HydrophobicContact CG2-CD1 3.69Å; V473-Y544 HydrophobicContact CG2-CE1 3.64Å; V473-L545 HydrophobicContact CG1-CD2 4.18Å; V473-L545 HydrophobicContact CG2-CD2 4.14Å; V473-R548 HydrophobicContact CG2-CB 4.4Å; V473-R548 HydrophobicContact CG2-CG 4.12Å
474	I	97.9	Very high	94.3	Very high	1 Å²	1	29 Å²	29	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-27.7	-173.9	56.5	166.5	0	0	0	112.4	E457 A459 P472 T495 L496 I633 Q637 L647	E457-I474 HydrophobicContact CB-CD1 4.38Å; E457-I474 HydrophobicContact CB-CG1 4.06Å; E457-I474 WeakPolarHBondContact O-CG1 3.2Å; E457-I474 PolarHBondContact O-N 3.34Å; A459-I474 HydrophobicContact CB-CD1 4.19Å; A459-I474 HydrophobicContact CB-CG2 3.77Å; P472-I474 HydrophobicContact CB-CG2 4.48Å; P472-I474 HydrophobicContact CG-CG2 4.24Å; I474-T495 CarbonylContact O-C 3.58Å; I474-T495 WeakPolarHBondContact O-CA 3.28Å; I474-L496 HydrophobicContact CB-CB 4.47Å; I474-L496 HydrophobicContact CG2-CD2 4.17Å; I474-L496 PolarHBondContact O-N 3.02Å; I474-I633 HydrophobicContact CD1-CG2 3.63Å; I474-Q637 HydrophobicContact CB-CG 4.24Å; I474-Q637 HydrophobicContact CD1-CB 3.74Å; I474-Q637 HydrophobicContact CD1-CG 3.89Å; I474-Q637 HydrophobicContact CG2-CG 3.95Å; I474-L647 HydrophobicContact CD1-CD2 3.42Å; I474-L647 VanDerWaalsContact CD1-CD2 3.42Å; I474-L647 HydrophobicContact CG1-CD2 4.38Å
475	Q	98.1	Very high	94.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	146.4	175.6	-54.6	-175.2	-23.2	0	0	111.7	I456 E457 V493 F494 T495 R644 L647	I456-Q475 WeakPolarHBondContact CA-O 3.29Å; E457-Q475 HydrophobicContact CB-CB 4.16Å; E457-Q475 PolarHBondContact N-O 3.22Å; E457-Q475 PolarHBondContact O-N 2.89Å; Q475-V493 HydrophobicContact CB-CG2 4.36Å; Q475-F494 CarbonylContact C-O 3.57Å; Q475-F494 WeakPolarHBondContact CA-O 3.33Å; Q475-T495 HydrophobicContact CG-CG2 4.07Å; Q475-R644 PolarHBondContact NE2-O 3.4Å; Q475-L647 HydrophobicContact CG-CD2 4.39Å; Q475-L647 VanDerWaalsContact OE1-CG 3.3Å; Q475-L647 PolarHBondContact OE1-O 2.69Å
476	I	98.6	Very high	94.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	107.6	170.1	-51.1	171	0	0	0	108.5	F454 D455 I456 V473 N478 V493 F494 L516 L517 W520 L545	F454-I476 HydrophobicContact CD2-CG2 4.19Å; D455-I476 WeakPolarHBondContact O-CA 3.18Å; I456-I476 HydrophobicContact CG2-CB 4.48Å; I456-I476 HydrophobicContact CG2-CG1 4.05Å; I456-I476 HydrophobicContact CG2-CG2 4.07Å; V473-I476 HydrophobicContact CG1-CD1 4.11Å; V473-I476 HydrophobicContact CG1-CG1 3.77Å; I476-N478 PolarHBondContact O-ND2 3.21Å; I476-V493 WeakPolarHBondContact O-CA 3.47Å; I476-F494 HydrophobicContact CB-CB 4.41Å; I476-F494 PolarHBondContact N-O 2.56Å; I476-F494 PolarHBondContact O-N 2.95Å; I476-L516 HydrophobicContact CD1-CD2 3.5Å; I476-L516 HydrophobicContact CG1-CD2 3.97Å; I476-L517 HydrophobicContact CD1-CD2 4.26Å; I476-W520 HydrophobicContact CB-CG 4.46Å; I476-W520 HydrophobicContact CD1-CB 3.85Å; I476-W520 HydrophobicContact CD1-CD2 4.01Å; I476-W520 HydrophobicContact CD1-CG 3.66Å; I476-W520 VanDerWaalsContact CG2-CD1 3.43Å; I476-W520 HydrophobicContact CG2-CD2 4.26Å; I476-W520 HydrophobicContact CG2-CG 4.08Å; I476-W520 HydrophobicContact CG2-CZ2 4.35Å; I476-L545 HydrophobicContact CD1-CD2 3.66Å; I476-L545 HydrophobicContact CG1-CD2 4.33Å
477	A	98.5	Very high	94.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	144.3	177.7	0	0	0	0	0	111.3	F454 D455 V493 C651 L652 A655	F454-A477 WeakPolarHBondContact CA-O 3.48Å; F454-A477 WeakPolarHBondContact CB-O 3.36Å; D455-A477 PolarHBondContact N-O 3.29Å; D455-A477 PolarHBondContact O-N 2.95Å; A477-V493 HydrophobicContact CB-CG2 4.23Å; A477-C651 VanDerWaalsContact CB-C 3.46Å; A477-C651 HydrophobicContact CB-CB 4.04Å; A477-C651 WeakPolarHBondContact CB-O 3.38Å; A477-C651 WeakPolarHBondContact CB-SG 3.39Å; A477-L652 HydrophobicContact CB-CB 4.49Å; A477-L652 HydrophobicContact CB-CD2 3.97Å; A477-L652 HydrophobicContact CB-CG 4.07Å; A477-A655 HydrophobicContact CB-CB 4.01Å
478	N	98.6	Very high	94.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	134.2	-177.7	-50.3	-89.5	0	0	0	111	L452 S453 I476 N492 F494 W520 F523	L452-N478 HydrophobicContact CD1-CB 3.82Å; S453-N478 WeakPolarHBondContact O-CA 3.37Å; I476-N478 PolarHBondContact O-ND2 3.21Å; N478-N492 WeakPolarHBondContact CB-OD1 3.36Å; N478-N492 PolarHBondContact N-O 3.06Å; N478-N492 PolarHBondContact ND2-OD1 2.72Å; N478-N492 PolarHBondContact O-N 3.05Å; N478-F494 WeakPolarHBondContact ND2-CD2 3.18Å; N478-W520 PolarHBondContact OD1-NE1 3.05Å; N478-F523 HydrophobicContact CB-CE1 3.76Å; N478-F523 HydrophobicContact CB-CZ 3.97Å
479	M	97.9	Very high	94.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	123.5	171.2	-60.8	-63.9	-176.6	0	0	108.5	F145 L149 S453 P488 I490 R491 L652 A655 L659	F145-M479 HydrophobicContact CZ-CE 4.36Å; L149-M479 HydrophobicContact CD2-CE 4.42Å; S453-M479 PolarHBondContact N-O 3.08Å; S453-M479 PolarHBondContact O-N 3.05Å; M479-P488 HydrophobicContact CB-CB 4.39Å; M479-I490 CarbonylContact C-O 3.36Å; M479-I490 WeakPolarHBondContact CA-O 3.43Å; M479-R491 HydrophobicContact SD-CB 3.93Å; M479-R491 HydrophobicContact SD-CG 3.69Å; M479-L652 HydrophobicContact CE-CB 3.91Å; M479-L652 HydrophobicContact CE-CD2 3.52Å; M479-L652 HydrophobicContact CE-CG 4.31Å; M479-L652 WeakPolarHBondContact CE-O 3.33Å; M479-L652 HydrophobicContact SD-CD2 4.5Å; M479-A655 HydrophobicContact CG-CB 4.06Å; M479-L659 HydrophobicContact CB-CD1 3.46Å; M479-L659 VanDerWaalsContact CB-CD1 3.46Å
480	V	98.1	Very high	94.7	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128	178.7	-167.6	0	0	0	0	110.5	R450 I451 L452 P488 F489 I490 F523 V527	R450-V480 HydrophobicContact CG-CG1 3.5Å; I451-V480 VanDerWaalsContact O-CA 3.29Å; I451-V480 WeakPolarHBondContact O-CA 3.01Å; L452-V480 HydrophobicContact CB-CG2 4.48Å; L452-V480 HydrophobicContact CD1-CG2 3.75Å; V480-P488 CarbonylContact O-C 3.06Å; V480-P488 WeakPolarHBondContact O-CA 3.39Å; V480-P488 WeakPolarHBondContact O-CB 3.46Å; V480-F489 HydrophobicContact CB-CE1 4.21Å; V480-F489 HydrophobicContact CB-CZ 4.18Å; V480-F489 HydrophobicContact CG1-CE1 3.72Å; V480-F489 HydrophobicContact CG1-CZ 3.61Å; V480-F489 VanDerWaalsContact O-CD1 3.31Å; V480-F489 WeakPolarHBondContact O-CD1 3.46Å; V480-F489 PolarHBondContact O-N 2.91Å; V480-I490 HydrophobicContact CB-CB 3.82Å; V480-I490 HydrophobicContact CB-CD1 4.05Å; V480-I490 HydrophobicContact CB-CG1 4.16Å; V480-I490 HydrophobicContact CG1-CD1 4.45Å; V480-I490 HydrophobicContact CG2-CB 3.86Å; V480-I490 HydrophobicContact CG2-CD1 4.01Å; V480-I490 HydrophobicContact CG2-CG1 4.39Å; V480-I490 HydrophobicContact CG2-CG2 4.34Å; V480-I490 PolarHBondContact N-O 3.33Å; V480-I490 PolarHBondContact O-N 3.41Å; V480-F523 HydrophobicContact CG2-CZ 4.26Å; V480-V527 HydrophobicContact CG1-CG1 3.86Å; V480-V527 HydrophobicContact CG2-CG1 3.98Å
481	I	96.4	Very high	94.8	Very high	20 Å²	20	23.1 Å²	23.1	10%	0.103	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	146.3	179.9	-168.9	164.1	0	0	0	109.9	I451 E485 P488 L659	I451-I481 HydrophobicContact CB-CG2 4.01Å; I451-I481 HydrophobicContact CD1-CG2 4.49Å; I451-I481 PolarHBondContact N-O 3.3Å; I451-I481 PolarHBondContact O-N 2.62Å; I451-I481 VanDerWaalsContact O-N 3.07Å; I481-E485 WeakPolarHBondContact CD1-O 3.26Å; I481-E485 HydrophobicContact CG1-CB 4.11Å; I481-P488 HydrophobicContact CB-CB 4.48Å; I481-L659 HydrophobicContact CG2-CD1 4.06Å; I481-L659 HydrophobicContact CG2-CD2 3.86Å
482	N	95	Very high	94.9	Very high	26 Å²	26	22.9 Å²	22.9	14%	0.139	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	135.6	166.4	-50.9	-58.1	0	0	0	109	P448 L449 G484 E485	P448-N482 HydrophobicContact CB-CB 4.49Å; L449-N482 CarbonylContact O-C 3.4Å; L449-N482 WeakPolarHBondContact O-CA 3.42Å; N482-G484 PolarHBondContact O-N 2.87Å; N482-E485 HydrophobicContact CB-CG 4.31Å; N482-E485 WeakPolarHBondContact CB-OE2 3.39Å; N482-E485 PolarHBondContact N-OE2 3.17Å; N482-E485 PolarHBondContact ND2-OE1 2.89Å; N482-E485 PolarHBondContact ND2-OE2 3.41Å; N482-E485 WeakPolarHBondContact O-CB 3.45Å; N482-E485 PolarHBondContact O-N 3.13Å
483	Y	92.6	Very high	94.9	Very high	30 Å²	30	21.2 Å²	21.2	12%	0.118	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	127.8	178.5	175.2	-94.3	0	0	0	110.9	I446 L449 I668 V669 L833	I446-Y483 HydrophobicContact CB-CD1 4.2Å; I446-Y483 HydrophobicContact CB-CE1 3.85Å; I446-Y483 HydrophobicContact CD1-CE1 4.05Å; I446-Y483 HydrophobicContact CG2-CD1 3.71Å; I446-Y483 HydrophobicContact CG2-CE1 3.76Å; L449-Y483 PolarHBondContact O-N 2.7Å; Y483-I668 HydrophobicContact CD2-CB 4.38Å; Y483-I668 HydrophobicContact CD2-CG2 4.12Å; Y483-I668 HydrophobicContact CE2-CB 4.34Å; Y483-I668 HydrophobicContact CE2-CG2 4.28Å; Y483-V669 HydrophobicContact CE2-CG2 3.94Å; Y483-V669 WeakPolarHBondContact OH-CG2 3.41Å; Y483-L833 HydrophobicContact CE1-CD1 4.07Å; Y483-L833 WeakPolarHBondContact OH-CD1 3.46Å
484	G	86.8	Confident	95	Very high	50 Å²	50	21.2 Å²	21.2	52%	0.515	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.4	-19.8	-175.1	0	0	0	0	0	114.1	N482	N482-G484 PolarHBondContact O-N 2.87Å
485	E	90.1	Very high	95	Very high	94 Å²	94	21.1 Å²	21.1	44%	0.439	12%	0.121	S	C	.	.			trans	-80.1	157.6	169	-64.5	169.4	-177.1	0	0	110.5	I481 N482	I481-E485 WeakPolarHBondContact CD1-O 3.26Å; I481-E485 HydrophobicContact CG1-CB 4.11Å; N482-E485 HydrophobicContact CB-CG 4.31Å; N482-E485 WeakPolarHBondContact CB-OE2 3.39Å; N482-E485 PolarHBondContact N-OE2 3.17Å; N482-E485 PolarHBondContact ND2-OE1 2.89Å; N482-E485 PolarHBondContact ND2-OE2 3.41Å; N482-E485 WeakPolarHBondContact O-CB 3.45Å; N482-E485 PolarHBondContact O-N 3.13Å
486	T	84.6	Confident	95	Very high	125 Å²	125	22.2 Å²	22.2	77%	0.767	13%	0.127	S	C	*	.	S	Bend	trans	-97.2	-22.7	179.8	49.8	0	0	0	0	113
487	T	87.5	Confident	94.9	Very high	19 Å²	19	25 Å²	25	12%	0.117	14%	0.142	C	C	.	.	S	Bend	trans	-120.5	135.7	-171.1	60.8	0	0	0	0	111.2	L152 F489	L152-T487 HydrophobicContact CD2-CG2 3.22Å; T487-F489 PolarHBondContact O-N 2.85Å
488	P	94	Very high	94.7	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.019	17%	0.165	C	C	.	.			trans	-68.7	122.7	171.3	-18	31.1	0	0	0	111.2	M479 V480 I481 R491 Y656 L659	M479-P488 HydrophobicContact CB-CB 4.39Å; V480-P488 CarbonylContact O-C 3.06Å; V480-P488 WeakPolarHBondContact O-CA 3.39Å; V480-P488 WeakPolarHBondContact O-CB 3.46Å; I481-P488 HydrophobicContact CB-CB 4.48Å; P488-R491 HydrophobicContact CB-CG 4.08Å; P488-R491 PolarHBondContact O-NE 2.81Å; P488-Y656 HydrophobicContact CG-CD2 4.22Å; P488-Y656 HydrophobicContact CG-CE2 3.98Å; P488-L659 HydrophobicContact CG-CD1 4.14Å
489	F	93.2	Very high	94.6	Very high	51 Å²	51	29.6 Å²	29.6	22%	0.224	17%	0.171	C	C	.	.	S	Bend	trans	-83.4	-10.9	178.6	72.6	-87	0	0	0	113.3	R450 V480 T487	R450-F489 HydrophobicContact CG-CZ 4.31Å; V480-F489 HydrophobicContact CB-CE1 4.21Å; V480-F489 HydrophobicContact CB-CZ 4.18Å; V480-F489 HydrophobicContact CG1-CE1 3.72Å; V480-F489 HydrophobicContact CG1-CZ 3.61Å; V480-F489 VanDerWaalsContact O-CD1 3.31Å; V480-F489 WeakPolarHBondContact O-CD1 3.46Å; V480-F489 PolarHBondContact O-N 2.91Å; T487-F489 PolarHBondContact O-N 2.85Å
490	I	96.1	Very high	94.5	Very high	7 Å²	7	30 Å²	30	4%	0.036	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124.9	166.2	-54.4	172.3	0	0	0	108.4	W180 M479 V480 F523 V527	W180-I490 HydrophobicContact CB-CD1 4.18Å; W180-I490 HydrophobicContact CG-CD1 4.12Å; M479-I490 CarbonylContact C-O 3.36Å; M479-I490 WeakPolarHBondContact CA-O 3.43Å; V480-I490 HydrophobicContact CB-CB 3.82Å; V480-I490 HydrophobicContact CB-CD1 4.05Å; V480-I490 HydrophobicContact CB-CG1 4.16Å; V480-I490 HydrophobicContact CG1-CD1 4.45Å; V480-I490 HydrophobicContact CG2-CB 3.86Å; V480-I490 HydrophobicContact CG2-CD1 4.01Å; V480-I490 HydrophobicContact CG2-CG1 4.39Å; V480-I490 HydrophobicContact CG2-CG2 4.34Å; V480-I490 PolarHBondContact N-O 3.33Å; V480-I490 PolarHBondContact O-N 3.41Å; I490-F523 HydrophobicContact CG2-CE2 4.04Å; I490-F523 HydrophobicContact CG2-CZ 4.07Å; I490-V527 HydrophobicContact CD1-CG1 4.29Å; I490-V527 HydrophobicContact CD1-CG2 3.72Å
491	R	95.8	Very high	94.3	Very high	19 Å²	19	35.3 Å²	35.3	7%	0.072	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	103.6	176.9	-58.1	174	-111.6	143.5	0.3	106.7	L149 L152 D153 E156 M479 P488 G504 S505 Q506	L149-R491 PolarHBondContact O-NH1 3.13Å; L152-R491 PolarHBondContact O-NH2 2.79Å; D153-R491 IonicContact OD1-CZ 2.78Å; D153-R491 IonicContact OD1-NH1 3.04Å; D153-R491 PolarHBondContact OD1-NH1 2.74Å; D153-R491 IonicContact OD1-NH2 3.41Å; D153-R491 PolarHBondContact OD1-NH2 2.96Å; E156-R491 IonicContact OE1-NH2 3.29Å; M479-R491 HydrophobicContact SD-CB 3.93Å; M479-R491 HydrophobicContact SD-CG 3.69Å; P488-R491 HydrophobicContact CB-CG 4.08Å; P488-R491 PolarHBondContact O-NE 2.81Å; R491-G504 PolarHBondContact NH1-O 3.22Å; R491-G504 VanDerWaalsContact NH1-O 3.15Å; R491-S505 CarbonylContact O-C 3.56Å; R491-S505 WeakPolarHBondContact O-CA 3.25Å; R491-Q506 PolarHBondContact O-N 2.95Å
492	N	97.5	Very high	94.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	159.7	-178.1	73.4	34.1	0	0	0	112.6	N478 Q506 I508 F523	N478-N492 WeakPolarHBondContact CB-OD1 3.36Å; N478-N492 PolarHBondContact N-O 3.06Å; N478-N492 PolarHBondContact ND2-OD1 2.72Å; N478-N492 PolarHBondContact O-N 3.05Å; N492-Q506 CarbonylContact C-O 3.52Å; N492-Q506 WeakPolarHBondContact CA-O 3.33Å; N492-Q506 HydrophobicContact CB-CB 3.91Å; N492-Q506 WeakPolarHBondContact CB-O 3.49Å; N492-I508 HydrophobicContact CB-CD1 4.11Å; N492-F523 WeakPolarHBondContact ND2-CE2 3.14Å; N492-F523 WeakPolarHBondContact ND2-CZ 3.42Å
493	V	98.3	Very high	93.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	121	175.2	61.8	0	0	0	0	109.7	Q475 I476 A477 T495 I502 Q506 V507 I508 A648 L652	Q475-V493 HydrophobicContact CB-CG2 4.36Å; I476-V493 WeakPolarHBondContact O-CA 3.47Å; A477-V493 HydrophobicContact CB-CG2 4.23Å; V493-T495 HydrophobicContact CG1-CG2 4.15Å; V493-T495 HydrophobicContact CG2-CG2 3.85Å; V493-I502 HydrophobicContact CG1-CD1 4.18Å; V493-Q506 PolarHBondContact N-O 2.75Å; V493-V507 HydrophobicContact CG1-CG2 4.11Å; V493-I508 PolarHBondContact O-N 3.45Å; V493-A648 HydrophobicContact CG1-CB 4.07Å; V493-A648 HydrophobicContact CG2-CB 4.02Å; V493-L652 HydrophobicContact CB-CD1 4.34Å; V493-L652 HydrophobicContact CB-CD2 4.24Å; V493-L652 HydrophobicContact CB-CG 4.19Å; V493-L652 HydrophobicContact CG1-CD1 4.21Å
494	F	98.5	Very high	93.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	130.1	169.5	-66.4	-93.7	0	0	0	108.2	W180 Q475 I476 N478 I508 H510 L516 K519 W520 F523	W180-F494 HydrophobicContact CH2-CZ 4.4Å; Q475-F494 CarbonylContact C-O 3.57Å; Q475-F494 WeakPolarHBondContact CA-O 3.33Å; I476-F494 HydrophobicContact CB-CB 4.41Å; I476-F494 PolarHBondContact N-O 2.56Å; I476-F494 PolarHBondContact O-N 2.95Å; N478-F494 WeakPolarHBondContact ND2-CD2 3.18Å; F494-I508 CarbonylContact C-O 3.35Å; F494-I508 VanDerWaalsContact CA-O 3.31Å; F494-I508 WeakPolarHBondContact CA-O 3.01Å; F494-I508 HydrophobicContact CD1-CB 3.91Å; F494-I508 HydrophobicContact CD1-CD1 4.21Å; F494-I508 HydrophobicContact CD1-CG2 3.76Å; F494-I508 HydrophobicContact CE1-CB 4.09Å; F494-I508 HydrophobicContact CE1-CD1 3.66Å; F494-I508 HydrophobicContact CE1-CG1 4.49Å; F494-I508 HydrophobicContact CE1-CG2 3.75Å; F494-I508 HydrophobicContact CE2-CD1 4.06Å; F494-I508 HydrophobicContact CG-CB 4.42Å; F494-I508 HydrophobicContact CZ-CD1 3.58Å; F494-H510 AromaticContact CD1-NE2 3.91Å; F494-L516 HydrophobicContact CB-CD1 4.44Å; F494-L516 HydrophobicContact CB-CG 4.11Å; F494-K519 HydrophobicContact CD1-CB 4.49Å; F494-K519 HydrophobicContact CD1-CG 4.31Å; F494-K519 HydrophobicContact CE1-CB 4.16Å; F494-K519 HydrophobicContact CE1-CG 3.59Å; F494-K519 HydrophobicContact CZ-CG 4.49Å; F494-W520 AromaticContact CD2-CD1 3.77Å; F494-W520 AromaticContact CE2-CD1 3.91Å; F494-F523 HydrophobicContact CE2-CB 4.21Å; F494-F523 HydrophobicContact CE2-CD1 4.06Å; F494-F523 HydrophobicContact CE2-CD2 4.41Å; F494-F523 AromaticContact CE2-CG 3.97Å; F494-F523 HydrophobicContact CE2-CG 3.97Å; F494-F523 HydrophobicContact CZ-CB 3.76Å; F494-F523 HydrophobicContact CZ-CD1 4.44Å; F494-F523 HydrophobicContact CZ-CD2 4.24Å; F494-F523 AromaticContact CZ-CG 3.91Å; F494-F523 HydrophobicContact CZ-CG 3.91Å
495	T	98.2	Very high	93.8	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	141.9	-175.1	60.4	0	0	0	0	111.5	I474 Q475 V493 N497 C499 I508 S509 H510 L516 A648	I474-T495 CarbonylContact O-C 3.58Å; I474-T495 WeakPolarHBondContact O-CA 3.28Å; Q475-T495 HydrophobicContact CG-CG2 4.07Å; V493-T495 HydrophobicContact CG1-CG2 4.15Å; V493-T495 HydrophobicContact CG2-CG2 3.85Å; T495-N497 PolarHBondContact OG1-O 3.01Å; T495-C499 HydrophobicContact CG2-CB 4Å; T495-I508 PolarHBondContact N-O 2.98Å; T495-S509 CarbonylContact O-C 3.58Å; T495-S509 WeakPolarHBondContact O-CA 3.47Å; T495-S509 WeakPolarHBondContact OG1-CA 3.18Å; T495-S509 PolarHBondContact OG1-OG 2.95Å; T495-H510 PolarHBondContact O-N 3.02Å; T495-L516 VanDerWaalsContact C-CD1 3.45Å; T495-A648 HydrophobicContact CG2-CB 4.37Å
496	L	97.8	Very high	94.1	Very high	22 Å²	22	33.3 Å²	33.3	12%	0.115	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	126.6	169.7	-177.5	64.9	0	0	0	108.6	I474 E513 L516 Q637	I474-L496 HydrophobicContact CB-CB 4.47Å; I474-L496 HydrophobicContact CG2-CD2 4.17Å; I474-L496 PolarHBondContact O-N 3.02Å; L496-E513 HydrophobicContact CD1-CB 4.41Å; L496-L516 HydrophobicContact CB-CD1 4.14Å; L496-Q637 PolarHBondContact O-NE2 2.84Å
497	N	96.5	Very high	94.6	Very high	60 Å²	60	29.2 Å²	29.2	32%	0.321	17%	0.169	S	C	.	.	S	Bend	trans	68	179	-168.9	-55.4	-42.9	0	0	0	113.9	T495 S509 H510	T495-N497 PolarHBondContact OG1-O 3.01Å; N497-S509 VanDerWaalsContact O-CB 3.29Å; N497-S509 WeakPolarHBondContact O-CB 3.14Å; N497-S509 PolarHBondContact O-OG 3.26Å; N497-H510 PolarHBondContact N-O 3.19Å
498	T	95.9	Very high	95.1	Very high	80 Å²	80	29.4 Å²	29.4	49%	0.491	17%	0.17	S	C	.	.			trans	-65.1	131.5	-177.3	54.5	0	0	0	0	112.2	R644	T498-R644 VanDerWaalsContact O-CZ 3.22Å; T498-R644 PolarHBondContact O-NE 2.7Å; T498-R644 PolarHBondContact O-NH2 2.96Å; T498-R644 PolarHBondContact OG1-NH2 3.2Å
499	C	96.7	Very high	95.3	Very high	16 Å²	16	31.7 Å²	31.7	11%	0.108	19%	0.186	C	C	.	.			trans	-122.2	137.3	172.9	175.7	0	0	0	0	109	T495 V507 S509 R644 R645	T495-C499 HydrophobicContact CG2-CB 4Å; C499-V507 HydrophobicContact CB-CG1 3.57Å; C499-S509 PolarHBondContact N-OG 3.36Å; C499-R644 HydrophobicContact CB-CB 4.46Å; C499-R645 WeakPolarHBondContact SG-CA 3.45Å
500	A	94.8	Very high	95.5	Very high	8 Å²	8	30.8 Å²	30.8	7%	0.066	18%	0.182	C	C	.	.			trans	-64.9	150.6	176.3	0	0	0	0	0	110.2	A641 Q642 R645	A500-A641 HydrophobicContact CB-CB 4.22Å; A500-A641 WeakPolarHBondContact CB-O 3.34Å; A500-A641 PolarHBondContact N-O 2.84Å; A500-Q642 HydrophobicContact CB-CG 4.47Å; A500-R645 HydrophobicContact CB-CB 3.93Å; A500-R645 HydrophobicContact CB-CG 4.35Å
501	P	94.1	Very high	95.5	Very high	112 Å²	112	36.8 Å²	36.8	73%	0.727	21%	0.21	S	C	*	.			trans	-57	142.9	-178.5	-25	34.3	0	0	0	113	R645	P501-R645 VanDerWaalsContact O-CD 3.3Å; P501-R645 WeakPolarHBondContact O-CD 3.3Å; P501-R645 PolarHBondContact O-NE 3.2Å
502	I	92.3	Very high	95.6	Very high	8 Å²	8	38.8 Å²	38.8	4%	0.041	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-114.1	127.4	173.7	-60.8	171.3	0	0	0	106.9	L149 V493 S505 V507 R645 A648 V649 L652	L149-I502 HydrophobicContact CD1-CG2 4.4Å; V493-I502 HydrophobicContact CG1-CD1 4.18Å; I502-S505 PolarHBondContact O-N 2.77Å; I502-V507 HydrophobicContact CB-CG2 4.13Å; I502-V507 HydrophobicContact CD1-CG2 4.1Å; I502-V507 HydrophobicContact CG1-CG2 3.96Å; I502-R645 HydrophobicContact CD1-CG 4.32Å; I502-R645 HydrophobicContact CG1-CG 3.72Å; I502-A648 HydrophobicContact CD1-CB 3.58Å; I502-V649 HydrophobicContact CD1-CG2 3.88Å; I502-V649 HydrophobicContact CG1-CG2 4.06Å; I502-V649 HydrophobicContact CG2-CG2 4.06Å; I502-L652 HydrophobicContact CD1-CD1 3.75Å; I502-L652 HydrophobicContact CG2-CD1 4.17Å
503	V	86.4	Confident	95.6	Very high	63 Å²	63	39.7 Å²	39.7	38%	0.382	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	137.6	-177.3	-161.6	0	0	0	0	109.8	L149 M150 S505	L149-V503 WeakPolarHBondContact CB-O 3.15Å; M150-V503 HydrophobicContact CE-CG1 4.01Å; M150-V503 HydrophobicContact CG-CB 3.82Å; M150-V503 HydrophobicContact CG-CG1 3.25Å; M150-V503 HydrophobicContact SD-CB 4.11Å; M150-V503 HydrophobicContact SD-CG1 3.76Å; M150-V503 HydrophobicContact SD-CG2 4.48Å; V503-S505 PolarHBondContact O-N 2.97Å
504	G	87.8	Confident	95.6	Very high	13 Å²	13	44 Å²	44	13%	0.134	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	15.7	-176.5	0	0	0	0	0	115.1	D153 R491	D153-G504 VanDerWaalsContact OD2-CA 3.24Å; D153-G504 WeakPolarHBondContact OD2-CA 3.26Å; R491-G504 PolarHBondContact NH1-O 3.22Å; R491-G504 VanDerWaalsContact NH1-O 3.15Å
505	S	93.7	Very high	95.5	Very high	15 Å²	15	48.3 Å²	48.3	11%	0.105	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-145.6	134.3	175.9	-71.2	0	0	0	0	112.6	R491 I502 V503 V507	R491-S505 CarbonylContact O-C 3.56Å; R491-S505 WeakPolarHBondContact O-CA 3.25Å; I502-S505 PolarHBondContact O-N 2.77Å; V503-S505 PolarHBondContact O-N 2.97Å; S505-V507 PolarHBondContact O-N 3.06Å
506	Q	95.4	Very high	95.5	Very high	78 Å²	78	48.3 Å²	48.3	36%	0.364	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	117.7	177.8	-172.7	178.8	22.3	0	0	111	N177 W180 R491 N492 V493 I508	N177-Q506 PolarHBondContact ND2-OE1 3.47Å; N177-Q506 VanDerWaalsContact ND2-OE1 3.15Å; W180-Q506 VanDerWaalsContact CZ2-OE1 3.28Å; R491-Q506 PolarHBondContact O-N 2.95Å; N492-Q506 CarbonylContact C-O 3.52Å; N492-Q506 WeakPolarHBondContact CA-O 3.33Å; N492-Q506 HydrophobicContact CB-CB 3.91Å; N492-Q506 WeakPolarHBondContact CB-O 3.49Å; V493-Q506 PolarHBondContact N-O 2.75Å; Q506-I508 HydrophobicContact CG-CD1 4.4Å; Q506-I508 HydrophobicContact CG-CG1 3.94Å
507	V	97	Very high	95.6	Very high	39 Å²	39	47.2 Å²	47.2	24%	0.236	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.2	174	179.4	0	0	0	0	109.7	V493 C499 I502 S505	V493-V507 HydrophobicContact CG1-CG2 4.11Å; C499-V507 HydrophobicContact CB-CG1 3.57Å; I502-V507 HydrophobicContact CB-CG2 4.13Å; I502-V507 HydrophobicContact CD1-CG2 4.1Å; I502-V507 HydrophobicContact CG1-CG2 3.96Å; S505-V507 PolarHBondContact O-N 3.06Å
508	I	97.2	Very high	95.6	Very high	23 Å²	23	46.1 Å²	46.1	12%	0.118	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	90.1	-176.9	-51.6	168.1	0	0	0	109	W180 N492 V493 F494 T495 Q506	W180-I508 HydrophobicContact CH2-CD1 3.76Å; W180-I508 HydrophobicContact CZ2-CD1 3.76Å; N492-I508 HydrophobicContact CB-CD1 4.11Å; V493-I508 PolarHBondContact O-N 3.45Å; F494-I508 CarbonylContact C-O 3.35Å; F494-I508 VanDerWaalsContact CA-O 3.31Å; F494-I508 WeakPolarHBondContact CA-O 3.01Å; F494-I508 HydrophobicContact CD1-CB 3.91Å; F494-I508 HydrophobicContact CD1-CD1 4.21Å; F494-I508 HydrophobicContact CD1-CG2 3.76Å; F494-I508 HydrophobicContact CE1-CB 4.09Å; F494-I508 HydrophobicContact CE1-CD1 3.66Å; F494-I508 HydrophobicContact CE1-CG1 4.49Å; F494-I508 HydrophobicContact CE1-CG2 3.75Å; F494-I508 HydrophobicContact CE2-CD1 4.06Å; F494-I508 HydrophobicContact CG-CB 4.42Å; F494-I508 HydrophobicContact CZ-CD1 3.58Å; T495-I508 PolarHBondContact N-O 2.98Å; Q506-I508 HydrophobicContact CG-CD1 4.4Å; Q506-I508 HydrophobicContact CG-CG1 3.94Å
509	S	97.5	Very high	95.7	Very high	52 Å²	52	45.4 Å²	45.4	36%	0.364	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	137.8	-178.6	-62.4	0	0	0	0	113	T495 N497 C499	T495-S509 CarbonylContact O-C 3.58Å; T495-S509 WeakPolarHBondContact O-CA 3.47Å; T495-S509 WeakPolarHBondContact OG1-CA 3.18Å; T495-S509 PolarHBondContact OG1-OG 2.95Å; N497-S509 VanDerWaalsContact O-CB 3.29Å; N497-S509 WeakPolarHBondContact O-CB 3.14Å; N497-S509 PolarHBondContact O-OG 3.26Å; C499-S509 PolarHBondContact N-OG 3.36Å
510	H	97.7	Very high	95.8	Very high	32 Å²	32	44.8 Å²	44.8	15%	0.148	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.9	174.6	-71.3	-76	0	0	0	110.8	F494 T495 N497 E515 L516	F494-H510 AromaticContact CD1-NE2 3.91Å; T495-H510 PolarHBondContact O-N 3.02Å; N497-H510 PolarHBondContact N-O 3.19Å; H510-E515 HydrophobicContact CB-CB 4.06Å; H510-E515 IonicContact ND1-OE2 3.93Å; H510-L516 HydrophobicContact CB-CB 4.09Å
511	Q	96.5	Very high	95.9	Very high	132 Å²	132	44.5 Å²	44.5	62%	0.617	24%	0.244	S	C	*	.	S	Bend	trans	-81.6	-26.5	-179.1	-63.3	-66.5	42.7	0	0	112.6
512	T	97.5	Very high	96.1	Very high	61 Å²	61	40.7 Å²	40.7	37%	0.374	22%	0.222	S	C	.	.	S	Bend	trans	-121.3	146.1	177.3	71.7	0	0	0	0	111.3	K514 E515 L516	T512-K514 PolarHBondContact O-N 3.25Å; T512-E515 WeakPolarHBondContact O-CB 3.35Å; T512-E515 PolarHBondContact O-N 2.9Å; T512-E515 VanDerWaalsContact OG1-CG 3.24Å; T512-E515 WeakPolarHBondContact OG1-CG 3.25Å; T512-E515 PolarHBondContact OG1-N 3.08Å; T512-E515 PolarHBondContact OG1-OE1 3.18Å; T512-L516 PolarHBondContact O-N 3.43Å; T512-L516 VanDerWaalsContact O-N 3.16Å
513	E	97.4	Very high	96.3	Very high	19 Å²	19	40.3 Å²	40.3	9%	0.089	22%	0.22	C	C	.	.	H	α-helix	trans	-62.6	-33.1	176.5	-176	-178.3	-178	0	0	111.8	P472 V473 L496 E515 L516 L517 R548 L552	P472-E513 VanDerWaalsContact CA-OE1 3.29Å; P472-E513 WeakPolarHBondContact CA-OE1 3.42Å; P472-E513 WeakPolarHBondContact CB-OE2 3.4Å; V473-E513 PolarHBondContact N-OE1 3.06Å; L496-E513 HydrophobicContact CD1-CB 4.41Å; E513-E515 VanDerWaalsContact C-N 3.33Å; E513-E515 PolarHBondContact O-N 2.67Å; E513-L516 WeakPolarHBondContact O-CB 3.34Å; E513-L516 PolarHBondContact O-N 3.07Å; E513-L517 HydrophobicContact CG-CD1 4.1Å; E513-L517 HydrophobicContact CG-CG 4.34Å; E513-L517 WeakPolarHBondContact O-CG 3.41Å; E513-L517 PolarHBondContact O-N 3.14Å; E513-R548 VanDerWaalsContact CD-NE 3.28Å; E513-R548 WeakPolarHBondContact OE1-CD 3.48Å; E513-R548 WeakPolarHBondContact OE1-CG 3.24Å; E513-R548 IonicContact OE1-CZ 2.79Å; E513-R548 IonicContact OE1-NE 3.45Å; E513-R548 PolarHBondContact OE1-NE 3.3Å; E513-R548 IonicContact OE1-NH2 3.66Å; E513-R548 IonicContact OE2-CZ 2.6Å; E513-R548 IonicContact OE2-NE 3.65Å; E513-R548 PolarHBondContact OE2-NE 2.94Å; E513-R548 IonicContact OE2-NH2 2.7Å; E513-R548 PolarHBondContact OE2-NH2 3.39Å; E513-L552 HydrophobicContact CB-CD1 4.11Å; E513-L552 VanDerWaalsContact CD-CD1 3.43Å; E513-L552 HydrophobicContact CG-CD1 3.72Å; E513-L552 WeakPolarHBondContact OE2-CD1 3.45Å
514	K	97.9	Very high	96.8	Very high	92 Å²	92	37.4 Å²	37.4	40%	0.4	20%	0.202	S	C	.	.	H	α-helix	trans	-60.4	-42.7	175.5	176.1	160	-177.7	165.1	0	111.6	T512 A518 K553 V554	T512-K514 PolarHBondContact O-N 3.25Å; K514-A518 WeakPolarHBondContact O-CB 3.25Å; K514-A518 PolarHBondContact O-N 3.08Å; K514-K553 PolarHBondContact NZ-O 3.28Å; K514-V554 HydrophobicContact CB-CG2 4.38Å; K514-V554 HydrophobicContact CG-CG1 4.46Å; K514-V554 HydrophobicContact CG-CG2 4.05Å
515	E	97.8	Very high	97.2	Very high	89 Å²	89	39.3 Å²	39.3	42%	0.416	21%	0.206	S	C	.	.	H	α-helix	trans	-65.1	-44.3	175.2	-74.5	158.8	-143.2	0	0	111.8	H510 T512 E513 A518 K519	H510-E515 HydrophobicContact CB-CB 4.06Å; H510-E515 IonicContact ND1-OE2 3.93Å; T512-E515 WeakPolarHBondContact O-CB 3.35Å; T512-E515 PolarHBondContact O-N 2.9Å; T512-E515 VanDerWaalsContact OG1-CG 3.24Å; T512-E515 WeakPolarHBondContact OG1-CG 3.25Å; T512-E515 PolarHBondContact OG1-N 3.08Å; T512-E515 PolarHBondContact OG1-OE1 3.18Å; E513-E515 VanDerWaalsContact C-N 3.33Å; E513-E515 PolarHBondContact O-N 2.67Å; E515-A518 PolarHBondContact O-N 3.04Å; E515-K519 VanDerWaalsContact O-CB 3.29Å; E515-K519 WeakPolarHBondContact O-CB 3.27Å; E515-K519 PolarHBondContact O-N 2.95Å
516	L	98.2	Very high	97.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-55.7	-53.7	177.4	-177.8	153.9	0	0	0	111.3	V473 I476 F494 T495 L496 H510 T512 E513 K519 W520	V473-L516 HydrophobicContact CG1-CD2 4.29Å; I476-L516 HydrophobicContact CD1-CD2 3.5Å; I476-L516 HydrophobicContact CG1-CD2 3.97Å; F494-L516 HydrophobicContact CB-CD1 4.44Å; F494-L516 HydrophobicContact CB-CG 4.11Å; T495-L516 VanDerWaalsContact C-CD1 3.45Å; L496-L516 HydrophobicContact CB-CD1 4.14Å; H510-L516 HydrophobicContact CB-CB 4.09Å; T512-L516 PolarHBondContact O-N 3.43Å; T512-L516 VanDerWaalsContact O-N 3.16Å; E513-L516 WeakPolarHBondContact O-CB 3.34Å; E513-L516 PolarHBondContact O-N 3.07Å; L516-K519 PolarHBondContact O-N 2.82Å; L516-W520 WeakPolarHBondContact O-CB 3.36Å; L516-W520 PolarHBondContact O-N 3.28Å
517	L	98.5	Very high	97.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.6	-43.3	-179.7	-67.2	174	0	0	0	111.7	V473 I476 E513 K519 W520 S521 L545 R548 A549 L552 V554 F557	V473-L517 HydrophobicContact CB-CD2 4.35Å; V473-L517 HydrophobicContact CG1-CD2 4.46Å; V473-L517 HydrophobicContact CG2-CD2 4.44Å; I476-L517 HydrophobicContact CD1-CD2 4.26Å; E513-L517 HydrophobicContact CG-CD1 4.1Å; E513-L517 HydrophobicContact CG-CG 4.34Å; E513-L517 WeakPolarHBondContact O-CG 3.41Å; E513-L517 PolarHBondContact O-N 3.14Å; L517-K519 VanDerWaalsContact C-N 3.35Å; L517-K519 PolarHBondContact O-N 2.99Å; L517-W520 PolarHBondContact O-N 3.28Å; L517-S521 PolarHBondContact O-N 3.06Å; L517-S521 PolarHBondContact O-OG 2.87Å; L517-L545 HydrophobicContact CD2-CD2 3.59Å; L517-R548 HydrophobicContact CD1-CG 4Å; L517-A549 HydrophobicContact CD1-CB 4.39Å; L517-L552 HydrophobicContact CD1-CD1 4.01Å; L517-V554 HydrophobicContact CB-CG1 4.25Å; L517-V554 HydrophobicContact CB-CG2 4.26Å; L517-V554 HydrophobicContact CD1-CG2 4.09Å; L517-F557 HydrophobicContact CB-CD2 3.9Å; L517-F557 HydrophobicContact CB-CE2 3.93Å; L517-F557 HydrophobicContact CD2-CE2 4.02Å; L517-F557 VanDerWaalsContact O-CD2 3.27Å; L517-F557 WeakPolarHBondContact O-CD2 3.47Å; L517-F557 WeakPolarHBondContact O-CE2 3.32Å
518	A	98.1	Very high	97.4	Very high	36 Å²	36	36.1 Å²	36.1	30%	0.298	19%	0.187	S	C	.	.	H	α-helix	trans	-60.3	-45.8	177.6	0	0	0	0	0	111.2	K514 E515 S521 A522 V554	K514-A518 WeakPolarHBondContact O-CB 3.25Å; K514-A518 PolarHBondContact O-N 3.08Å; E515-A518 PolarHBondContact O-N 3.04Å; A518-S521 PolarHBondContact O-OG 3.23Å; A518-A522 PolarHBondContact O-N 3.06Å; A518-A522 VanDerWaalsContact O-N 3.07Å; A518-V554 HydrophobicContact CB-CG1 3.81Å
519	K	97.4	Very high	97.4	Very high	65 Å²	65	35 Å²	35	28%	0.283	18%	0.181	S	C	.	.	H	α-helix	trans	-69.8	-38.9	-179.7	-169.2	67.8	177.3	173.6	0	112	F494 E515 L516 L517 A522 F523	F494-K519 HydrophobicContact CD1-CB 4.49Å; F494-K519 HydrophobicContact CD1-CG 4.31Å; F494-K519 HydrophobicContact CE1-CB 4.16Å; F494-K519 HydrophobicContact CE1-CG 3.59Å; F494-K519 HydrophobicContact CZ-CG 4.49Å; E515-K519 VanDerWaalsContact O-CB 3.29Å; E515-K519 WeakPolarHBondContact O-CB 3.27Å; E515-K519 PolarHBondContact O-N 2.95Å; L516-K519 PolarHBondContact O-N 2.82Å; L517-K519 VanDerWaalsContact C-N 3.35Å; L517-K519 PolarHBondContact O-N 2.99Å; K519-A522 WeakPolarHBondContact O-CB 3.41Å; K519-A522 PolarHBondContact O-N 3.18Å; K519-F523 WeakPolarHBondContact O-CB 3.35Å; K519-F523 PolarHBondContact O-N 3.27Å
520	W	98.2	Very high	97.5	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.015	16%	0.164	C	C	.	.	H	α-helix	trans	-62.8	-45.3	174.8	-176.9	80.5	0	0	0	112.2	F454 I476 N478 F494 L516 L517 A522 F523 V524 L545 F557 L560	F454-W520 HydrophobicContact CD1-CZ2 4.39Å; F454-W520 HydrophobicContact CD2-CH2 4.44Å; F454-W520 AromaticContact CD2-CZ2 3.74Å; F454-W520 HydrophobicContact CD2-CZ2 3.74Å; F454-W520 HydrophobicContact CE2-CH2 4.12Å; F454-W520 AromaticContact CE2-CZ2 3.88Å; F454-W520 HydrophobicContact CE2-CZ2 3.88Å; F454-W520 HydrophobicContact CG-CZ2 4Å; F454-W520 HydrophobicContact CZ-CH2 4.26Å; F454-W520 HydrophobicContact CZ-CZ2 4.27Å; I476-W520 HydrophobicContact CB-CG 4.46Å; I476-W520 HydrophobicContact CD1-CB 3.85Å; I476-W520 HydrophobicContact CD1-CD2 4.01Å; I476-W520 HydrophobicContact CD1-CG 3.66Å; I476-W520 VanDerWaalsContact CG2-CD1 3.43Å; I476-W520 HydrophobicContact CG2-CD2 4.26Å; I476-W520 HydrophobicContact CG2-CG 4.08Å; I476-W520 HydrophobicContact CG2-CZ2 4.35Å; N478-W520 PolarHBondContact OD1-NE1 3.05Å; F494-W520 AromaticContact CD2-CD1 3.77Å; F494-W520 AromaticContact CE2-CD1 3.91Å; L516-W520 WeakPolarHBondContact O-CB 3.36Å; L516-W520 PolarHBondContact O-N 3.28Å; L517-W520 PolarHBondContact O-N 3.28Å; W520-A522 PolarHBondContact O-N 3.38Å; W520-F523 WeakPolarHBondContact O-CB 3.4Å; W520-F523 PolarHBondContact O-N 3.41Å; W520-F523 VanDerWaalsContact O-N 3.11Å; W520-V524 HydrophobicContact CD2-CG2 4.09Å; W520-V524 HydrophobicContact CE3-CG2 4.21Å; W520-V524 HydrophobicContact CH2-CG2 3.94Å; W520-V524 HydrophobicContact CZ2-CG2 3.78Å; W520-V524 HydrophobicContact CZ3-CG2 4.13Å; W520-V524 WeakPolarHBondContact O-CG2 3.47Å; W520-V524 PolarHBondContact O-N 3.36Å; W520-L545 HydrophobicContact CE3-CD1 4.28Å; W520-L545 HydrophobicContact CH2-CD1 3.64Å; W520-L545 HydrophobicContact CZ2-CD1 4.19Å; W520-L545 HydrophobicContact CZ3-CD1 3.72Å; W520-F557 AromaticContact CE3-CE2 3.81Å; W520-F557 HydrophobicContact CE3-CE2 3.81Å; W520-F557 AromaticContact CE3-CZ 3.74Å; W520-F557 HydrophobicContact CE3-CZ 3.74Å; W520-F557 HydrophobicContact CZ3-CE2 4.24Å; W520-F557 AromaticContact CZ3-CZ 3.7Å; W520-F557 HydrophobicContact CZ3-CZ 3.7Å; W520-L560 HydrophobicContact CZ3-CD2 4.12Å
521	S	97.8	Very high	97.5	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.007	16%	0.158	C	C	.	.	H	α-helix	trans	-63.5	-31.2	175.3	73.2	0	0	0	0	112.7	L517 A518 R525	L517-S521 PolarHBondContact O-N 3.06Å; L517-S521 PolarHBondContact O-OG 2.87Å; A518-S521 PolarHBondContact O-OG 3.23Å; S521-R525 WeakPolarHBondContact O-CG 3.37Å; S521-R525 PolarHBondContact O-N 3.46Å; S521-R525 PolarHBondContact O-NE 3.33Å; S521-R525 VanDerWaalsContact O-NE 3.17Å; S521-R525 PolarHBondContact O-NH2 2.98Å; S521-R525 PolarHBondContact OG-NH2 3.42Å; S521-R525 VanDerWaalsContact OG-NH2 3.07Å
522	A	96.8	Very high	97.6	Very high	33 Å²	33	25.1 Å²	25.1	27%	0.273	13%	0.129	S	C	.	.	H	α-helix	trans	-69	-42.9	171.7	0	0	0	0	0	111.9	A518 K519 W520 V524 R525 E526	A518-A522 PolarHBondContact O-N 3.06Å; A518-A522 VanDerWaalsContact O-N 3.07Å; K519-A522 WeakPolarHBondContact O-CB 3.41Å; K519-A522 PolarHBondContact O-N 3.18Å; W520-A522 PolarHBondContact O-N 3.38Å; A522-V524 PolarHBondContact O-N 3.29Å; A522-R525 WeakPolarHBondContact O-CB 3.4Å; A522-R525 PolarHBondContact O-N 3.48Å; A522-R525 VanDerWaalsContact O-N 3.11Å; A522-E526 WeakPolarHBondContact O-CB 3.47Å; A522-E526 PolarHBondContact O-N 3.09Å
523	F	97.3	Very high	97.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-56.8	-48	174.8	165.2	-99.3	0	0	0	112	W180 L452 N478 V480 I490 N492 F494 K519 W520 R525 E526 V527	W180-F523 AromaticContact CD2-CD2 3.85Å; W180-F523 HydrophobicContact CD2-CD2 3.85Å; W180-F523 AromaticContact CD2-CE2 3.96Å; W180-F523 HydrophobicContact CD2-CE2 3.96Å; W180-F523 AromaticContact CE3-CD2 3.66Å; W180-F523 HydrophobicContact CE3-CD2 3.66Å; W180-F523 HydrophobicContact CE3-CE2 4.26Å; W180-F523 HydrophobicContact CG-CE2 4.32Å; W180-F523 AromaticContact CH2-CD2 4Å; W180-F523 HydrophobicContact CH2-CD2 4Å; W180-F523 HydrophobicContact CZ2-CD2 4.18Å; W180-F523 HydrophobicContact CZ2-CE2 4.32Å; W180-F523 AromaticContact CZ3-CD2 3.74Å; W180-F523 HydrophobicContact CZ3-CD2 3.74Å; L452-F523 HydrophobicContact CD1-CE1 4.16Å; N478-F523 HydrophobicContact CB-CE1 3.76Å; N478-F523 HydrophobicContact CB-CZ 3.97Å; V480-F523 HydrophobicContact CG2-CZ 4.26Å; I490-F523 HydrophobicContact CG2-CE2 4.04Å; I490-F523 HydrophobicContact CG2-CZ 4.07Å; N492-F523 WeakPolarHBondContact ND2-CE2 3.14Å; N492-F523 WeakPolarHBondContact ND2-CZ 3.42Å; F494-F523 HydrophobicContact CE2-CB 4.21Å; F494-F523 HydrophobicContact CE2-CD1 4.06Å; F494-F523 HydrophobicContact CE2-CD2 4.41Å; F494-F523 AromaticContact CE2-CG 3.97Å; F494-F523 HydrophobicContact CE2-CG 3.97Å; F494-F523 HydrophobicContact CZ-CB 3.76Å; F494-F523 HydrophobicContact CZ-CD1 4.44Å; F494-F523 HydrophobicContact CZ-CD2 4.24Å; F494-F523 AromaticContact CZ-CG 3.91Å; F494-F523 HydrophobicContact CZ-CG 3.91Å; K519-F523 WeakPolarHBondContact O-CB 3.35Å; K519-F523 PolarHBondContact O-N 3.27Å; W520-F523 WeakPolarHBondContact O-CB 3.4Å; W520-F523 PolarHBondContact O-N 3.41Å; W520-F523 VanDerWaalsContact O-N 3.11Å; F523-R525 PolarHBondContact O-N 3.42Å; F523-E526 PolarHBondContact O-N 2.95Å; F523-V527 HydrophobicContact CD1-CG2 4.48Å; F523-V527 HydrophobicContact CD2-CG2 3.64Å; F523-V527 HydrophobicContact CE1-CG2 4.15Å; F523-V527 HydrophobicContact CE2-CG2 3.24Å; F523-V527 HydrophobicContact CG-CG2 4.25Å; F523-V527 HydrophobicContact CZ-CG2 3.54Å; F523-V527 WeakPolarHBondContact O-CB 3.41Å; F523-V527 WeakPolarHBondContact O-CG2 3.19Å; F523-V527 PolarHBondContact O-N 3.15Å
524	V	97.7	Very high	97.6	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.012	11%	0.107	C	C	.	.	H	α-helix	trans	-57	-37.7	176.2	175.1	0	0	0	0	111.7	L452 W520 A522 D528 P529	L452-V524 HydrophobicContact CD2-CG2 4.03Å; W520-V524 HydrophobicContact CD2-CG2 4.09Å; W520-V524 HydrophobicContact CE3-CG2 4.21Å; W520-V524 HydrophobicContact CH2-CG2 3.94Å; W520-V524 HydrophobicContact CZ2-CG2 3.78Å; W520-V524 HydrophobicContact CZ3-CG2 4.13Å; W520-V524 WeakPolarHBondContact O-CG2 3.47Å; W520-V524 PolarHBondContact O-N 3.36Å; A522-V524 PolarHBondContact O-N 3.29Å; V524-D528 PolarHBondContact O-N 2.98Å; V524-P529 HydrophobicContact CG1-CG 4.41Å; V524-P529 WeakPolarHBondContact O-CD 3.36Å
525	R	96.3	Very high	97.5	Very high	53 Å²	53	18.1 Å²	18.1	20%	0.2	9%	0.093	C	C	.	.	H	α-helix	trans	-73	-34.2	177.2	-70.1	179.6	-75.5	-116.6	1.2	113.2	S521 A522 F523 G556 F559	S521-R525 WeakPolarHBondContact O-CG 3.37Å; S521-R525 PolarHBondContact O-N 3.46Å; S521-R525 PolarHBondContact O-NE 3.33Å; S521-R525 VanDerWaalsContact O-NE 3.17Å; S521-R525 PolarHBondContact O-NH2 2.98Å; S521-R525 PolarHBondContact OG-NH2 3.42Å; S521-R525 VanDerWaalsContact OG-NH2 3.07Å; A522-R525 WeakPolarHBondContact O-CB 3.4Å; A522-R525 PolarHBondContact O-N 3.48Å; A522-R525 VanDerWaalsContact O-N 3.11Å; F523-R525 PolarHBondContact O-N 3.42Å; R525-G556 PolarHBondContact NH1-O 2.73Å; R525-F559 PolarHBondContact NH1-O 3.09Å
526	E	95.8	Very high	97.4	Very high	56 Å²	56	16.2 Å²	16.2	26%	0.262	9%	0.086	S	C	.	.	H	α-helix	trans	-76.2	-45.6	-178.9	-174.5	171.5	-178.5	0	0	111.8	W180 P181 A522 F523 D528	W180-E526 HydrophobicContact CB-CG 4.44Å; P181-E526 HydrophobicContact CG-CG 3.96Å; A522-E526 WeakPolarHBondContact O-CB 3.47Å; A522-E526 PolarHBondContact O-N 3.09Å; F523-E526 PolarHBondContact O-N 2.95Å; E526-D528 VanDerWaalsContact C-N 3.26Å; E526-D528 PolarHBondContact O-N 3.02Å
527	V	96.9	Very high	97.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.5	-33.9	173.9	171	0	0	0	0	111.7	W180 R450 V480 I490 F523	W180-V527 HydrophobicContact CB-CG2 4.12Å; W180-V527 HydrophobicContact CG-CG2 4.49Å; R450-V527 WeakPolarHBondContact CD-O 3.42Å; R450-V527 PolarHBondContact NH1-O 3.43Å; V480-V527 HydrophobicContact CG1-CG1 3.86Å; V480-V527 HydrophobicContact CG2-CG1 3.98Å; I490-V527 HydrophobicContact CD1-CG1 4.29Å; I490-V527 HydrophobicContact CD1-CG2 3.72Å; F523-V527 HydrophobicContact CD1-CG2 4.48Å; F523-V527 HydrophobicContact CD2-CG2 3.64Å; F523-V527 HydrophobicContact CE1-CG2 4.15Å; F523-V527 HydrophobicContact CE2-CG2 3.24Å; F523-V527 HydrophobicContact CG-CG2 4.25Å; F523-V527 HydrophobicContact CZ-CG2 3.54Å; F523-V527 WeakPolarHBondContact O-CB 3.41Å; F523-V527 WeakPolarHBondContact O-CG2 3.19Å; F523-V527 PolarHBondContact O-N 3.15Å
528	D	97.2	Very high	97.1	Very high	9 Å²	9	17.3 Å²	17.3	5%	0.048	9%	0.091	C	C	.	.			trans	52.2	59.8	-178.3	-175	36.6	0	0	0	114.1	R182 S235 V524 E526 R562 R593	R182-D528 WeakPolarHBondContact CD-OD2 3.26Å; R182-D528 HydrophobicContact CG-CB 4.48Å; R182-D528 VanDerWaalsContact CZ-O 3.32Å; R182-D528 IonicContact CZ-OD2 3.77Å; R182-D528 PolarHBondContact NE-O 2.72Å; R182-D528 VanDerWaalsContact NE-O 3.14Å; R182-D528 IonicContact NE-OD2 3.55Å; R182-D528 PolarHBondContact NE-OD2 3.42Å; R182-D528 PolarHBondContact NH2-O 3.43Å; S235-D528 VanDerWaalsContact CB-OD2 3.25Å; S235-D528 WeakPolarHBondContact CB-OD2 3.21Å; S235-D528 PolarHBondContact OG-OD2 2.83Å; V524-D528 PolarHBondContact O-N 2.98Å; E526-D528 VanDerWaalsContact C-N 3.26Å; E526-D528 PolarHBondContact O-N 3.02Å; D528-R562 PolarHBondContact O-NH2 2.7Å; D528-R562 IonicContact OD1-CZ 2.74Å; D528-R562 IonicContact OD1-NE 3.6Å; D528-R562 PolarHBondContact OD1-NE 3.44Å; D528-R562 IonicContact OD1-NH2 2.92Å; D528-R562 PolarHBondContact OD1-NH2 2.51Å; D528-R562 IonicContact OD2-CZ 2.78Å; D528-R562 IonicContact OD2-NE 3.5Å; D528-R562 IonicContact OD2-NH2 3.15Å; D528-R562 PolarHBondContact OD2-NH2 2.67Å; D528-R593 IonicContact OD1-CZ 3.74Å; D528-R593 IonicContact OD1-NH1 2.63Å; D528-R593 PolarHBondContact OD1-NH1 3.47Å; D528-R593 IonicContact OD1-NH2 3.15Å
529	P	98	Very high	96.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.085	C	C	.	.			trans	-68.6	144.4	179.5	29.8	-35.6	0	0	0	113.7	R450 L452 V524 I532 R593	R450-P529 CarbonylContact O-C 3.59Å; L452-P529 HydrophobicContact CB-CB 3.59Å; L452-P529 HydrophobicContact CB-CG 3.87Å; L452-P529 HydrophobicContact CD2-CG 3.97Å; V524-P529 HydrophobicContact CG1-CG 4.41Å; V524-P529 WeakPolarHBondContact O-CD 3.36Å; P529-I532 HydrophobicContact CG-CG1 4.13Å; P529-R593 VanDerWaalsContact CD-NH1 3.34Å; P529-R593 VanDerWaalsContact N-NH1 3.18Å; P529-R593 WeakPolarHBondContact O-CD 3.25Å; P529-R593 WeakPolarHBondContact O-CG 3.18Å; P529-R593 PolarHBondContact O-NH1 2.76Å
530	D	98	Very high	96.7	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	8%	0.082	C	C	.	.	S	Bend	trans	-82.5	-40.1	173.1	-59.7	-51.8	0	0	0	111.9	R182 I229 L449 R450 R562 R593 V594	R182-D530 IonicContact CZ-OD2 3.96Å; R182-D530 IonicContact NH1-OD2 3.72Å; R182-D530 IonicContact NH2-OD1 3.45Å; R182-D530 PolarHBondContact NH2-OD1 3.3Å; R182-D530 IonicContact NH2-OD2 3.62Å; R182-D530 PolarHBondContact NH2-OD2 3.38Å; I229-D530 VanDerWaalsContact CD1-CG 3.44Å; I229-D530 WeakPolarHBondContact CD1-OD1 3.43Å; I229-D530 WeakPolarHBondContact CD1-OD2 3.47Å; I229-D530 WeakPolarHBondContact CG1-OD1 3.36Å; I229-D530 WeakPolarHBondContact CG1-OD2 3.41Å; L449-D530 WeakPolarHBondContact CA-OD2 3.43Å; L449-D530 HydrophobicContact CB-CB 4.34Å; L449-D530 HydrophobicContact CD2-CB 4.22Å; R450-D530 PolarHBondContact N-OD2 3.11Å; R450-D530 PolarHBondContact O-N 3.43Å; D530-R562 IonicContact OD1-CZ 2.7Å; D530-R562 VanDerWaalsContact OD1-CZ 3.29Å; D530-R562 IonicContact OD1-NH1 2.74Å; D530-R562 PolarHBondContact OD1-NH1 2.85Å; D530-R562 IonicContact OD1-NH2 3.99Å; D530-R562 PolarHBondContact OD1-NH2 2.58Å; D530-R593 CarbonylContact O-C 3.57Å; D530-R593 WeakPolarHBondContact O-CA 3.08Å; D530-V594 PolarHBondContact O-N 2.92Å
531	I	97.8	Very high	96.7	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.01	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	133.9	177.9	-65.5	164.3	0	0	0	108.3	L449 R450 I451 L452 V594 F596 I668	L449-I531 HydrophobicContact CB-CD1 4.36Å; L449-I531 HydrophobicContact CD1-CD1 3.82Å; R450-I531 PolarHBondContact O-N 2.81Å; R450-I531 VanDerWaalsContact O-N 3.15Å; I451-I531 WeakPolarHBondContact CA-O 3.48Å; I451-I531 HydrophobicContact CB-CB 4.49Å; I451-I531 HydrophobicContact CG1-CB 4.22Å; I451-I531 HydrophobicContact CG1-CD1 4.27Å; I451-I531 HydrophobicContact CG2-CB 4.23Å; I451-I531 HydrophobicContact CG2-CG2 4.03Å; L452-I531 PolarHBondContact N-O 2.71Å; I531-V594 CarbonylContact C-O 3.49Å; I531-V594 VanDerWaalsContact CA-O 3.24Å; I531-V594 WeakPolarHBondContact CA-O 3.33Å; I531-V594 HydrophobicContact CG1-CB 4.38Å; I531-F596 HydrophobicContact CD1-CE2 4.45Å; I531-F596 HydrophobicContact CG1-CD2 4.32Å; I531-F596 HydrophobicContact CG2-CB 3.84Å; I531-F596 HydrophobicContact CG2-CD2 3.75Å; I531-F596 HydrophobicContact CG2-CG 4.07Å; I531-I668 HydrophobicContact CD1-CD1 3.81Å; I531-I668 HydrophobicContact CD1-CG1 4.39Å; I531-I668 HydrophobicContact CD1-CG2 4.22Å
532	I	98.2	Very high	96.6	Very high	5 Å²	5	16.4 Å²	16.4	3%	0.026	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	128	169	-60.9	175.3	0	0	0	107.5	L452 F454 P529 I537 I590 R593 V594 Q595 F596	L452-I532 CarbonylContact O-C 3.57Å; L452-I532 WeakPolarHBondContact O-CA 3.46Å; F454-I532 HydrophobicContact CD1-CG2 3.99Å; F454-I532 HydrophobicContact CE1-CG2 3.65Å; P529-I532 HydrophobicContact CG-CG1 4.13Å; I532-I537 HydrophobicContact CG2-CD1 3.93Å; I532-I590 HydrophobicContact CD1-CD1 4.05Å; I532-I590 HydrophobicContact CD1-CG2 4.13Å; I532-R593 HydrophobicContact CD1-CB 4.43Å; I532-V594 PolarHBondContact N-O 3.39Å; I532-Q595 CarbonylContact O-C 3.56Å; I532-Q595 WeakPolarHBondContact O-CA 3.47Å; I532-F596 PolarHBondContact O-N 3.41Å
533	T	98.1	Very high	96.6	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	178.6	-178.8	-167.8	0	0	0	0	110.8	I451 L452 S453 F454 F596 L659 L662	I451-T533 HydrophobicContact CG2-CG2 3.71Å; L452-T533 PolarHBondContact O-N 3.13Å; S453-T533 WeakPolarHBondContact CA-O 3.48Å; F454-T533 PolarHBondContact N-O 3.45Å; F454-T533 VanDerWaalsContact N-O 3.16Å; T533-F596 WeakPolarHBondContact CA-O 3.28Å; T533-F596 WeakPolarHBondContact CB-O 3.29Å; T533-F596 PolarHBondContact OG1-O 2.99Å; T533-L659 HydrophobicContact CG2-CD2 3.96Å; T533-L662 HydrophobicContact CG2-CD1 3.61Å; T533-L662 WeakPolarHBondContact OG1-CD1 3.35Å
534	G	97.7	Very high	96.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.8	-168.3	-172.8	0	0	0	0	0	108.7	L598	G534-L598 WeakPolarHBondContact O-CB 3.35Å; G534-L598 PolarHBondContact O-N 3.46Å; G534-L598 VanDerWaalsContact O-N 3.15Å
535	Y	96.9	Very high	96.7	Very high	24 Å²	24	15.3 Å²	15.3	9%	0.094	7%	0.071	C	C	.	.	S	Bend	trans	-115.8	110	179.3	-155.3	-94.4	0	0	0	110.5	I537 L598 L599 L602 Y611 L613 V616	Y535-I537 VanDerWaalsContact C-N 3.28Å; Y535-I537 PolarHBondContact O-N 2.95Å; Y535-L598 HydrophobicContact CD2-CB 4.31Å; Y535-L598 HydrophobicContact CD2-CD2 4.09Å; Y535-L598 HydrophobicContact CD2-CG 4.33Å; Y535-L598 HydrophobicContact CE2-CD2 4.35Å; Y535-L598 HydrophobicContact CE2-CG 4.45Å; Y535-L599 HydrophobicContact CD1-CB 4.49Å; Y535-L599 HydrophobicContact CE1-CB 4.34Å; Y535-L599 HydrophobicContact CE1-CD1 4.01Å; Y535-L599 HydrophobicContact CE1-CD2 4.44Å; Y535-L599 HydrophobicContact CE1-CG 4.49Å; Y535-L602 HydrophobicContact CE2-CD1 3.84Å; Y535-Y611 WeakPolarHBondContact CE1-O 3.49Å; Y535-Y611 VanDerWaalsContact OH-C 3.23Å; Y535-Y611 PolarHBondContact OH-O 2.75Å; Y535-L613 HydrophobicContact CD1-CB 3.9Å; Y535-L613 HydrophobicContact CD2-CB 4.28Å; Y535-L613 HydrophobicContact CD2-CD1 3.63Å; Y535-L613 HydrophobicContact CD2-CG 4.44Å; Y535-L613 HydrophobicContact CE1-CB 3.98Å; Y535-L613 HydrophobicContact CE2-CB 4.34Å; Y535-L613 HydrophobicContact CE2-CD1 3.91Å; Y535-L613 HydrophobicContact CG-CB 4.04Å; Y535-L613 HydrophobicContact CG-CD1 4.04Å; Y535-L613 HydrophobicContact CG-CD2 4.46Å; Y535-L613 HydrophobicContact CG-CG 4.4Å; Y535-V616 WeakPolarHBondContact OH-CG2 3.45Å
536	N	94.6	Very high	96.8	Very high	50 Å²	50	13 Å²	13	27%	0.267	6%	0.062	S	C	.	.	S	Bend	trans	70.3	17.1	-176.9	-159.3	38.5	0	0	0	115.5	Q538 N539 F540 D597 L599	N536-Q538 PolarHBondContact O-N 3.48Å; N536-Q538 VanDerWaalsContact O-N 3.13Å; N536-N539 PolarHBondContact O-N 3.04Å; N536-N539 WeakPolarHBondContact OD1-CB 3.36Å; N536-F540 PolarHBondContact O-N 3.16Å; N536-D597 WeakPolarHBondContact CA-OD1 3.47Å; N536-D597 VanDerWaalsContact CA-OD2 3.23Å; N536-D597 WeakPolarHBondContact CA-OD2 3.45Å; N536-D597 PolarHBondContact N-OD1 2.89Å; N536-L599 HydrophobicContact CB-CD2 3.68Å; N536-L599 WeakPolarHBondContact OD1-CD2 3.27Å
537	I	97.1	Very high	96.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-30.1	-179.8	57.5	158.8	0	0	0	113.9	F454 I532 Y535 D541 L542 P543 D597	F454-I537 HydrophobicContact CD1-CG2 4.32Å; F454-I537 HydrophobicContact CE1-CB 4.1Å; F454-I537 HydrophobicContact CE1-CD1 4.03Å; F454-I537 HydrophobicContact CE1-CG2 3.8Å; F454-I537 HydrophobicContact CE2-CG2 4.4Å; F454-I537 HydrophobicContact CZ-CB 4.06Å; F454-I537 HydrophobicContact CZ-CG2 3.84Å; I532-I537 HydrophobicContact CG2-CD1 3.93Å; Y535-I537 VanDerWaalsContact C-N 3.28Å; Y535-I537 PolarHBondContact O-N 2.95Å; I537-D541 WeakPolarHBondContact CA-OD2 3.43Å; I537-D541 HydrophobicContact CB-CB 4.17Å; I537-D541 HydrophobicContact CG2-CB 4.04Å; I537-D541 PolarHBondContact O-N 3.37Å; I537-L542 HydrophobicContact CD1-CD1 4.41Å; I537-L542 VanDerWaalsContact O-CB 3.31Å; I537-L542 WeakPolarHBondContact O-CB 3.3Å; I537-L542 PolarHBondContact O-N 3.48Å; I537-P543 WeakPolarHBondContact O-CD 3.22Å; I537-D597 HydrophobicContact CG1-CB 3.98Å; I537-D597 PolarHBondContact N-OD2 3.14Å; I537-D597 VanDerWaalsContact N-OD2 3.11Å
538	Q	93.9	Very high	96.9	Very high	22 Å²	22	14.2 Å²	14.2	10%	0.103	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-34.2	-175	-178.5	175.8	-22.4	0	0	111.5	N536 P543 K586 F587 D597	N536-Q538 PolarHBondContact O-N 3.48Å; N536-Q538 VanDerWaalsContact O-N 3.13Å; Q538-P543 WeakPolarHBondContact O-CD 3.49Å; Q538-P543 WeakPolarHBondContact O-CG 3.42Å; Q538-K586 WeakPolarHBondContact CG-O 3.39Å; Q538-K586 PolarHBondContact NE2-O 2.98Å; Q538-K586 WeakPolarHBondContact O-CB 3.44Å; Q538-F587 VanDerWaalsContact NE2-CD1 3.29Å; Q538-F587 VanDerWaalsContact NE2-CE1 3.32Å; Q538-D597 HydrophobicContact CB-CB 4.02Å; Q538-D597 VanDerWaalsContact CB-OD2 3.24Å; Q538-D597 WeakPolarHBondContact CB-OD2 3.16Å; Q538-D597 PolarHBondContact N-OD2 2.83Å
539	N	91.9	Very high	96.9	Very high	33 Å²	33	13.9 Å²	13.9	18%	0.176	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-24.9	-177	-71.8	-28.5	0	0	0	113.2	N536 N585 K586 Q600	N536-N539 PolarHBondContact O-N 3.04Å; N536-N539 WeakPolarHBondContact OD1-CB 3.36Å; N539-N585 PolarHBondContact ND2-OD1 3.33Å; N539-N585 WeakPolarHBondContact OD1-CA 3.36Å; N539-K586 PolarHBondContact OD1-N 3.29Å; N539-Q600 PolarHBondContact ND2-NE2 3.26Å
540	F	94.2	Very high	96.9	Very high	49 Å²	49	17.9 Å²	17.9	22%	0.215	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-74.1	-179.3	-174.6	-114.4	0	0	0	112.4	I456 F465 P466 N536 L542 P543 Y544	I456-F540 HydrophobicContact CD1-CE1 4.32Å; I456-F540 HydrophobicContact CG1-CE1 4.17Å; F465-F540 HydrophobicContact CE1-CD2 4.19Å; F465-F540 AromaticContact CE1-CE2 3.51Å; F465-F540 HydrophobicContact CE1-CE2 3.51Å; F465-F540 HydrophobicContact CE1-CZ 4.14Å; F465-F540 HydrophobicContact CZ-CD2 4.37Å; F465-F540 AromaticContact CZ-CE2 3.75Å; F465-F540 HydrophobicContact CZ-CE2 3.75Å; F465-F540 HydrophobicContact CZ-CZ 4.02Å; P466-F540 HydrophobicContact CG-CZ 4.4Å; N536-F540 PolarHBondContact O-N 3.16Å; F540-L542 PolarHBondContact O-N 3.13Å; F540-P543 VanDerWaalsContact O-CD 3.29Å; F540-P543 WeakPolarHBondContact O-CD 3.29Å; F540-Y544 HydrophobicContact CD2-CD2 4.47Å; F540-Y544 AromaticContact CE2-CD2 3.7Å; F540-Y544 HydrophobicContact CE2-CD2 3.7Å; F540-Y544 HydrophobicContact CE2-CE2 4.28Å; F540-Y544 AromaticContact CZ-CD2 3.99Å; F540-Y544 HydrophobicContact CZ-CD2 3.99Å; F540-Y544 HydrophobicContact CZ-CE2 4.41Å; F540-Y544 VanDerWaalsContact O-CB 3.22Å; F540-Y544 WeakPolarHBondContact O-CB 3.31Å; F540-Y544 PolarHBondContact O-N 2.94Å
541	D	97.6	Very high	96.8	Very high	4 Å²	4	21 Å²	21	2%	0.021	11%	0.109	C	C	.	.	H	α-helix	trans	-61.4	-53.7	-162.7	-52.2	-120.7	0	0	0	113.7	F454 I456 I537 Y544 L545	F454-D541 HydrophobicContact CE2-CB 3.77Å; F454-D541 HydrophobicContact CZ-CB 4.01Å; I456-D541 HydrophobicContact CD1-CB 4.11Å; I456-D541 HydrophobicContact CG1-CB 4.21Å; I456-D541 WeakPolarHBondContact CG1-OD1 3.41Å; I456-D541 HydrophobicContact CG2-CB 4.27Å; I456-D541 PolarHBondContact N-OD1 3.04Å; I537-D541 WeakPolarHBondContact CA-OD2 3.43Å; I537-D541 HydrophobicContact CB-CB 4.17Å; I537-D541 HydrophobicContact CG2-CB 4.04Å; I537-D541 PolarHBondContact O-N 3.37Å; D541-Y544 PolarHBondContact O-N 3.35Å; D541-L545 VanDerWaalsContact O-CB 3.29Å; D541-L545 WeakPolarHBondContact O-CB 3.44Å; D541-L545 VanDerWaalsContact O-CG 3.24Å; D541-L545 WeakPolarHBondContact O-CG 3.43Å; D541-L545 PolarHBondContact O-N 3.23Å
542	L	97.7	Very high	96.8	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-62.7	-49.7	179.4	-70.1	169.9	0	0	0	111.5	F454 I537 F540 Y544 L545 I546 L560 V588 I590	F454-L542 HydrophobicContact CE1-CD2 4.2Å; F454-L542 HydrophobicContact CE1-CG 4.41Å; F454-L542 HydrophobicContact CZ-CD2 3.72Å; F454-L542 HydrophobicContact CZ-CG 3.88Å; I537-L542 HydrophobicContact CD1-CD1 4.41Å; I537-L542 VanDerWaalsContact O-CB 3.31Å; I537-L542 WeakPolarHBondContact O-CB 3.3Å; I537-L542 PolarHBondContact O-N 3.48Å; F540-L542 PolarHBondContact O-N 3.13Å; L542-Y544 VanDerWaalsContact C-N 3.31Å; L542-Y544 PolarHBondContact O-N 3.43Å; L542-L545 PolarHBondContact O-N 3.48Å; L542-I546 WeakPolarHBondContact O-CB 3.44Å; L542-I546 VanDerWaalsContact O-CG1 3.31Å; L542-I546 WeakPolarHBondContact O-CG1 3.48Å; L542-I546 PolarHBondContact O-N 3.09Å; L542-L560 HydrophobicContact CD2-CD1 4.29Å; L542-V588 HydrophobicContact CB-CG2 4.05Å; L542-I590 HydrophobicContact CD1-CD1 3.94Å; L542-I590 HydrophobicContact CD2-CD1 4.16Å
543	P	96.7	Very high	96.8	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.013	15%	0.153	C	C	.	.	H	α-helix	trans	-56.7	-41.6	172.7	-27.7	34.9	0	0	0	114.1	I537 Q538 F540 N547 I570 K586 V588	I537-P543 WeakPolarHBondContact O-CD 3.22Å; Q538-P543 WeakPolarHBondContact O-CD 3.49Å; Q538-P543 WeakPolarHBondContact O-CG 3.42Å; F540-P543 VanDerWaalsContact O-CD 3.29Å; F540-P543 WeakPolarHBondContact O-CD 3.29Å; P543-N547 VanDerWaalsContact O-CB 3.28Å; P543-N547 WeakPolarHBondContact O-CB 3.37Å; P543-N547 VanDerWaalsContact O-CG 3.26Å; P543-N547 PolarHBondContact O-N 3.45Å; P543-N547 PolarHBondContact O-ND2 3.22Å; P543-I570 HydrophobicContact CB-CD1 3.95Å; P543-I570 HydrophobicContact CB-CG1 4.36Å; P543-I570 HydrophobicContact CB-CG2 4.47Å; P543-K586 HydrophobicContact CB-CD 3.88Å; P543-K586 HydrophobicContact CG-CB 4.06Å; P543-K586 HydrophobicContact CG-CD 3.66Å; P543-K586 HydrophobicContact CG-CG 4.49Å; P543-V588 HydrophobicContact CG-CG2 4.45Å
544	Y	97.7	Very high	96.7	Very high	8 Å²	8	31.3 Å²	31.3	3%	0.031	16%	0.156	C	C	.	.	H	α-helix	trans	-63.9	-51.2	-179.1	-163.1	-75.4	0	0	0	110.5	I456 C458 P466 V467 P468 D471 V473 F540 D541 L542 I546 N547 R548	I456-Y544 HydrophobicContact CD1-CD1 4.09Å; I456-Y544 HydrophobicContact CD1-CG 4.14Å; C458-Y544 HydrophobicContact CB-CE1 4.34Å; C458-Y544 WeakPolarHBondContact SG-CE1 3.5Å; P466-Y544 HydrophobicContact CB-CE2 4.02Å; V467-Y544 VanDerWaalsContact C-OH 3.31Å; V467-Y544 PolarHBondContact O-OH 3.28Å; P468-Y544 HydrophobicContact CB-CD1 4.1Å; P468-Y544 HydrophobicContact CB-CD2 4.2Å; P468-Y544 HydrophobicContact CB-CE1 4.03Å; P468-Y544 HydrophobicContact CB-CE2 4.16Å; P468-Y544 HydrophobicContact CB-CG 4.17Å; P468-Y544 HydrophobicContact CG-CD2 4.35Å; P468-Y544 HydrophobicContact CG-CE2 4.43Å; D471-Y544 WeakPolarHBondContact CB-OH 3.35Å; D471-Y544 PolarHBondContact O-OH 3.07Å; V473-Y544 HydrophobicContact CG2-CD1 3.69Å; V473-Y544 HydrophobicContact CG2-CE1 3.64Å; F540-Y544 HydrophobicContact CD2-CD2 4.47Å; F540-Y544 AromaticContact CE2-CD2 3.7Å; F540-Y544 HydrophobicContact CE2-CD2 3.7Å; F540-Y544 HydrophobicContact CE2-CE2 4.28Å; F540-Y544 AromaticContact CZ-CD2 3.99Å; F540-Y544 HydrophobicContact CZ-CD2 3.99Å; F540-Y544 HydrophobicContact CZ-CE2 4.41Å; F540-Y544 VanDerWaalsContact O-CB 3.22Å; F540-Y544 WeakPolarHBondContact O-CB 3.31Å; F540-Y544 PolarHBondContact O-N 2.94Å; D541-Y544 PolarHBondContact O-N 3.35Å; L542-Y544 VanDerWaalsContact C-N 3.31Å; L542-Y544 PolarHBondContact O-N 3.43Å; Y544-I546 PolarHBondContact O-N 3.41Å; Y544-N547 PolarHBondContact O-N 2.98Å; Y544-R548 HydrophobicContact CD1-CB 4.33Å; Y544-R548 HydrophobicContact CE1-CB 4.36Å; Y544-R548 WeakPolarHBondContact O-CB 3.37Å; Y544-R548 PolarHBondContact O-N 2.89Å
545	L	98.4	Very high	96.4	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-57.5	-47.2	178.2	-77.2	173.2	0	0	0	112.4	F454 I456 V473 I476 L517 W520 D541 L542 R548 A549 F557	F454-L545 HydrophobicContact CE2-CD1 3.74Å; F454-L545 HydrophobicContact CZ-CD1 4.41Å; I456-L545 HydrophobicContact CD1-CG 4.15Å; I456-L545 HydrophobicContact CG2-CD1 3.91Å; I456-L545 HydrophobicContact CG2-CD2 4.2Å; I456-L545 HydrophobicContact CG2-CG 4.13Å; V473-L545 HydrophobicContact CG1-CD2 4.18Å; V473-L545 HydrophobicContact CG2-CD2 4.14Å; I476-L545 HydrophobicContact CD1-CD2 3.66Å; I476-L545 HydrophobicContact CG1-CD2 4.33Å; L517-L545 HydrophobicContact CD2-CD2 3.59Å; W520-L545 HydrophobicContact CE3-CD1 4.28Å; W520-L545 HydrophobicContact CH2-CD1 3.64Å; W520-L545 HydrophobicContact CZ2-CD1 4.19Å; W520-L545 HydrophobicContact CZ3-CD1 3.72Å; D541-L545 VanDerWaalsContact O-CB 3.29Å; D541-L545 WeakPolarHBondContact O-CB 3.44Å; D541-L545 VanDerWaalsContact O-CG 3.24Å; D541-L545 WeakPolarHBondContact O-CG 3.43Å; D541-L545 PolarHBondContact O-N 3.23Å; L542-L545 PolarHBondContact O-N 3.48Å; L545-R548 PolarHBondContact O-N 3.4Å; L545-A549 VanDerWaalsContact O-CB 3.22Å; L545-A549 WeakPolarHBondContact O-CB 3.26Å; L545-A549 PolarHBondContact O-N 3.21Å; L545-F557 HydrophobicContact CB-CE1 3.95Å; L545-F557 HydrophobicContact CB-CZ 3.69Å; L545-F557 HydrophobicContact CD2-CZ 4.32Å; L545-F557 HydrophobicContact CG-CZ 4.41Å
546	I	97.7	Very high	96.1	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-63.5	-47.8	178.8	-70.2	168.5	0	0	0	110.8	L542 Y544 R548 A549 N550 F557 I570 V588	L542-I546 WeakPolarHBondContact O-CB 3.44Å; L542-I546 VanDerWaalsContact O-CG1 3.31Å; L542-I546 WeakPolarHBondContact O-CG1 3.48Å; L542-I546 PolarHBondContact O-N 3.09Å; Y544-I546 PolarHBondContact O-N 3.41Å; I546-R548 VanDerWaalsContact C-N 3.35Å; I546-R548 PolarHBondContact O-N 3.01Å; I546-A549 PolarHBondContact O-N 3.41Å; I546-N550 WeakPolarHBondContact O-CB 3.5Å; I546-N550 PolarHBondContact O-N 3.33Å; I546-N550 PolarHBondContact O-ND2 2.82Å; I546-F557 HydrophobicContact CG1-CE1 4.13Å; I546-I570 HydrophobicContact CB-CD1 4.08Å; I546-I570 HydrophobicContact CB-CG1 4.46Å; I546-I570 HydrophobicContact CD1-CG1 4.23Å; I546-I570 HydrophobicContact CG2-CD1 3.93Å; I546-I570 HydrophobicContact CG2-CG1 4.25Å; I546-V588 HydrophobicContact CD1-CB 4.49Å; I546-V588 HydrophobicContact CD1-CG1 3.48Å; I546-V588 VanDerWaalsContact CD1-CG1 3.48Å; I546-V588 HydrophobicContact CD1-CG2 4.13Å
547	N	97.7	Very high	96.2	Very high	63 Å²	63	35.4 Å²	35.4	34%	0.337	18%	0.184	S	C	.	.	H	α-helix	trans	-66.5	-37.2	-180	-74	-25.9	0	0	0	112.2	P468 P543 Y544 N550 T551 I570	P468-N547 HydrophobicContact CB-CB 3.76Å; P468-N547 HydrophobicContact CG-CB 3.65Å; P543-N547 VanDerWaalsContact O-CB 3.28Å; P543-N547 WeakPolarHBondContact O-CB 3.37Å; P543-N547 VanDerWaalsContact O-CG 3.26Å; P543-N547 PolarHBondContact O-N 3.45Å; P543-N547 PolarHBondContact O-ND2 3.22Å; Y544-N547 PolarHBondContact O-N 2.98Å; N547-N550 PolarHBondContact O-N 3.05Å; N547-T551 WeakPolarHBondContact O-CB 3.4Å; N547-T551 PolarHBondContact O-N 3.46Å; N547-T551 PolarHBondContact O-OG1 2.93Å; N547-I570 WeakPolarHBondContact OD1-CD1 3.31Å
548	R	97.9	Very high	96	Very high	20 Å²	20	37 Å²	37	8%	0.075	19%	0.192	C	C	.	.	H	α-helix	trans	-67.8	-45.4	177.2	-176.1	61.4	-176.9	171.3	-2.6	111.4	P468 V473 E513 L517 Y544 L545 I546 N550 T551 L552	P468-R548 HydrophobicContact CB-CB 4.1Å; P468-R548 WeakPolarHBondContact O-CD 3.46Å; P468-R548 PolarHBondContact O-NH1 3.02Å; P468-R548 VanDerWaalsContact O-NH1 3.13Å; V473-R548 HydrophobicContact CG2-CB 4.4Å; V473-R548 HydrophobicContact CG2-CG 4.12Å; E513-R548 VanDerWaalsContact CD-NE 3.28Å; E513-R548 WeakPolarHBondContact OE1-CD 3.48Å; E513-R548 WeakPolarHBondContact OE1-CG 3.24Å; E513-R548 IonicContact OE1-CZ 2.79Å; E513-R548 IonicContact OE1-NE 3.45Å; E513-R548 PolarHBondContact OE1-NE 3.3Å; E513-R548 IonicContact OE1-NH2 3.66Å; E513-R548 IonicContact OE2-CZ 2.6Å; E513-R548 IonicContact OE2-NE 3.65Å; E513-R548 PolarHBondContact OE2-NE 2.94Å; E513-R548 IonicContact OE2-NH2 2.7Å; E513-R548 PolarHBondContact OE2-NH2 3.39Å; L517-R548 HydrophobicContact CD1-CG 4Å; Y544-R548 HydrophobicContact CD1-CB 4.33Å; Y544-R548 HydrophobicContact CE1-CB 4.36Å; Y544-R548 WeakPolarHBondContact O-CB 3.37Å; Y544-R548 PolarHBondContact O-N 2.89Å; L545-R548 PolarHBondContact O-N 3.4Å; I546-R548 VanDerWaalsContact C-N 3.35Å; I546-R548 PolarHBondContact O-N 3.01Å; R548-N550 VanDerWaalsContact C-N 3.29Å; R548-N550 PolarHBondContact O-N 2.77Å; R548-T551 WeakPolarHBondContact O-CB 3.49Å; R548-T551 PolarHBondContact O-N 2.71Å; R548-T551 VanDerWaalsContact O-N 3.16Å; R548-L552 HydrophobicContact CG-CD1 4.26Å; R548-L552 PolarHBondContact O-N 3.06Å
549	A	97.8	Very high	96.1	Very high	1 Å²	1	38 Å²	38	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-59.7	-40	174.9	0	0	0	0	0	112.2	L517 L545 I546 L552 K553 V554 F557	L517-A549 HydrophobicContact CD1-CB 4.39Å; L545-A549 VanDerWaalsContact O-CB 3.22Å; L545-A549 WeakPolarHBondContact O-CB 3.26Å; L545-A549 PolarHBondContact O-N 3.21Å; I546-A549 PolarHBondContact O-N 3.41Å; A549-L552 CarbonylContact O-C 3.59Å; A549-L552 PolarHBondContact O-N 3.43Å; A549-K553 WeakPolarHBondContact O-CA 3.43Å; A549-K553 PolarHBondContact O-N 2.97Å; A549-V554 HydrophobicContact CB-CB 4.09Å; A549-V554 HydrophobicContact CB-CG2 4.25Å; A549-V554 PolarHBondContact O-N 3.1Å; A549-F557 HydrophobicContact CB-CB 3.59Å; A549-F557 HydrophobicContact CB-CD1 3.4Å; A549-F557 VanDerWaalsContact CB-CD1 3.4Å; A549-F557 HydrophobicContact CB-CD2 3.84Å; A549-F557 HydrophobicContact CB-CE1 4.09Å; A549-F557 HydrophobicContact CB-CE2 4.44Å; A549-F557 HydrophobicContact CB-CG 3.29Å
550	N	96.5	Very high	96.4	Very high	84 Å²	84	36.5 Å²	36.5	45%	0.449	19%	0.188	S	C	.	.	H	α-helix	trans	-64.4	-43.6	174	-73.2	-24.4	0	0	0	112	I546 N547 R548 L552 K553	I546-N550 WeakPolarHBondContact O-CB 3.5Å; I546-N550 PolarHBondContact O-N 3.33Å; I546-N550 PolarHBondContact O-ND2 2.82Å; N547-N550 PolarHBondContact O-N 3.05Å; R548-N550 VanDerWaalsContact C-N 3.29Å; R548-N550 PolarHBondContact O-N 2.77Å; N550-L552 VanDerWaalsContact C-N 3.32Å; N550-L552 PolarHBondContact O-N 2.79Å; N550-K553 PolarHBondContact O-N 3.32Å
551	T	97.6	Very high	96.4	Very high	68 Å²	68	34.3 Å²	34.3	42%	0.417	18%	0.179	S	C	.	.	H	α-helix	trans	-59.6	-42.7	177.1	-60	0	0	0	0	111.5	N547 R548 K553	N547-T551 WeakPolarHBondContact O-CB 3.4Å; N547-T551 PolarHBondContact O-N 3.46Å; N547-T551 PolarHBondContact O-OG1 2.93Å; R548-T551 WeakPolarHBondContact O-CB 3.49Å; R548-T551 PolarHBondContact O-N 2.71Å; R548-T551 VanDerWaalsContact O-N 3.16Å; T551-K553 VanDerWaalsContact C-N 3.34Å
552	L	97.4	Very high	96.4	Very high	55 Å²	55	34.1 Å²	34.1	29%	0.288	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-1.8	179.2	-65.5	179.9	0	0	0	114.4	E513 L517 R548 A549 N550 V554	E513-L552 HydrophobicContact CB-CD1 4.11Å; E513-L552 VanDerWaalsContact CD-CD1 3.43Å; E513-L552 HydrophobicContact CG-CD1 3.72Å; E513-L552 WeakPolarHBondContact OE2-CD1 3.45Å; L517-L552 HydrophobicContact CD1-CD1 4.01Å; R548-L552 HydrophobicContact CG-CD1 4.26Å; R548-L552 PolarHBondContact O-N 3.06Å; A549-L552 CarbonylContact O-C 3.59Å; A549-L552 PolarHBondContact O-N 3.43Å; N550-L552 VanDerWaalsContact C-N 3.32Å; N550-L552 PolarHBondContact O-N 2.79Å; L552-V554 HydrophobicContact CB-CG2 3.83Å; L552-V554 PolarHBondContact O-N 2.88Å
553	K	96.7	Very high	96.3	Very high	158 Å²	158	35.2 Å²	35.2	69%	0.687	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	54.4	-176.2	-54.3	176.3	-178	177.4	0	111.3	K514 A549 N550 T551 D555	K514-K553 PolarHBondContact NZ-O 3.28Å; A549-K553 WeakPolarHBondContact O-CA 3.43Å; A549-K553 PolarHBondContact O-N 2.97Å; N550-K553 PolarHBondContact O-N 3.32Å; T551-K553 VanDerWaalsContact C-N 3.34Å; K553-D555 PolarHBondContact O-N 2.97Å
554	V	97	Very high	96.1	Very high	9 Å²	9	39.6 Å²	39.6	6%	0.055	20%	0.2	C	C	.	.			trans	-83.4	97.3	175.7	-171.5	0	0	0	0	108.8	K514 L517 A518 A549 L552 G556 F557	K514-V554 HydrophobicContact CB-CG2 4.38Å; K514-V554 HydrophobicContact CG-CG1 4.46Å; K514-V554 HydrophobicContact CG-CG2 4.05Å; L517-V554 HydrophobicContact CB-CG1 4.25Å; L517-V554 HydrophobicContact CB-CG2 4.26Å; L517-V554 HydrophobicContact CD1-CG2 4.09Å; A518-V554 HydrophobicContact CB-CG1 3.81Å; A549-V554 HydrophobicContact CB-CB 4.09Å; A549-V554 HydrophobicContact CB-CG2 4.25Å; A549-V554 PolarHBondContact O-N 3.1Å; L552-V554 HydrophobicContact CB-CG2 3.83Å; L552-V554 PolarHBondContact O-N 2.88Å; V554-G556 PolarHBondContact O-N 3.22Å; V554-F557 HydrophobicContact CB-CB 4.3Å; V554-F557 HydrophobicContact CG1-CB 4.26Å; V554-F557 PolarHBondContact O-N 3.25Å
555	D	90.7	Very high	95.7	Very high	137 Å²	137	42 Å²	42	73%	0.733	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	129.6	-177	-61.1	-54.1	0	0	0	111.5	K553 F557	K553-D555 PolarHBondContact O-N 2.97Å; D555-F557 VanDerWaalsContact C-N 3.34Å; D555-F557 PolarHBondContact O-N 2.8Å
556	G	90.7	Very high	95.4	Very high	20 Å²	20	43.1 Å²	43.1	21%	0.206	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	-1.1	174.9	0	0	0	0	0	116.2	R525 V554 E558 F559	R525-G556 PolarHBondContact NH1-O 2.73Å; V554-G556 PolarHBondContact O-N 3.22Å; G556-E558 VanDerWaalsContact C-N 3.31Å; G556-E558 PolarHBondContact O-N 3.35Å; G556-F559 WeakPolarHBondContact O-CD2 3.47Å; G556-F559 PolarHBondContact O-N 2.8Å
557	F	97.2	Very high	95.3	Very high	3 Å²	3	49.6 Å²	49.6	1%	0.013	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-44.3	177.5	-173.1	-86.9	0	0	0	112.4	L517 W520 L545 I546 A549 V554 D555 F559 L560	L517-F557 HydrophobicContact CB-CD2 3.9Å; L517-F557 HydrophobicContact CB-CE2 3.93Å; L517-F557 HydrophobicContact CD2-CE2 4.02Å; L517-F557 VanDerWaalsContact O-CD2 3.27Å; L517-F557 WeakPolarHBondContact O-CD2 3.47Å; L517-F557 WeakPolarHBondContact O-CE2 3.32Å; W520-F557 AromaticContact CE3-CE2 3.81Å; W520-F557 HydrophobicContact CE3-CE2 3.81Å; W520-F557 AromaticContact CE3-CZ 3.74Å; W520-F557 HydrophobicContact CE3-CZ 3.74Å; W520-F557 HydrophobicContact CZ3-CE2 4.24Å; W520-F557 AromaticContact CZ3-CZ 3.7Å; W520-F557 HydrophobicContact CZ3-CZ 3.7Å; L545-F557 HydrophobicContact CB-CE1 3.95Å; L545-F557 HydrophobicContact CB-CZ 3.69Å; L545-F557 HydrophobicContact CD2-CZ 4.32Å; L545-F557 HydrophobicContact CG-CZ 4.41Å; I546-F557 HydrophobicContact CG1-CE1 4.13Å; A549-F557 HydrophobicContact CB-CB 3.59Å; A549-F557 HydrophobicContact CB-CD1 3.4Å; A549-F557 VanDerWaalsContact CB-CD1 3.4Å; A549-F557 HydrophobicContact CB-CD2 3.84Å; A549-F557 HydrophobicContact CB-CE1 4.09Å; A549-F557 HydrophobicContact CB-CE2 4.44Å; A549-F557 HydrophobicContact CB-CG 3.29Å; V554-F557 HydrophobicContact CB-CB 4.3Å; V554-F557 HydrophobicContact CG1-CB 4.26Å; V554-F557 PolarHBondContact O-N 3.25Å; D555-F557 VanDerWaalsContact C-N 3.34Å; D555-F557 PolarHBondContact O-N 2.8Å; F557-F559 PolarHBondContact O-N 2.9Å; F557-L560 WeakPolarHBondContact O-CD2 3.29Å
558	E	93.2	Very high	95.2	Very high	34 Å²	34	46.8 Å²	46.8	16%	0.159	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-4.7	-176.5	56.8	-165.4	162.2	0	0	115.2	G556 L560 R567 S568	G556-E558 VanDerWaalsContact C-N 3.31Å; G556-E558 PolarHBondContact O-N 3.35Å; E558-L560 PolarHBondContact O-N 3.02Å; E558-R567 HydrophobicContact CB-CB 4.46Å; E558-R567 VanDerWaalsContact CD-NH1 3.27Å; E558-R567 HydrophobicContact CG-CB 4.44Å; E558-R567 HydrophobicContact CG-CG 4.06Å; E558-R567 CarbonylContact O-C 3.59Å; E558-R567 IonicContact OE1-CZ 3.94Å; E558-R567 VanDerWaalsContact OE1-CZ 3.3Å; E558-R567 IonicContact OE1-NE 3.21Å; E558-R567 IonicContact OE1-NH1 3.27Å; E558-R567 PolarHBondContact OE1-NH1 3.44Å; E558-R567 IonicContact OE1-NH2 3.58Å; E558-R567 WeakPolarHBondContact OE2-CD 3.35Å; E558-R567 IonicContact OE2-CZ 3.37Å; E558-R567 IonicContact OE2-NE 3.68Å; E558-R567 IonicContact OE2-NH1 3.59Å; E558-R567 PolarHBondContact OE2-NH1 3.26Å; E558-S568 VanDerWaalsContact O-CB 3.31Å; E558-S568 WeakPolarHBondContact O-CB 3.28Å; E558-S568 PolarHBondContact O-N 2.79Å; E558-S568 PolarHBondContact O-OG 3.09Å
559	F	96.4	Very high	95	Very high	42 Å²	42	48.8 Å²	48.8	18%	0.184	26%	0.26	C	S	.	.			trans	-99.3	67.3	178.4	-53.9	-70.6	0	0	0	112.3	R525 G556 F557 G565 A566 R567	R525-F559 PolarHBondContact NH1-O 3.09Å; G556-F559 WeakPolarHBondContact O-CD2 3.47Å; G556-F559 PolarHBondContact O-N 2.8Å; F557-F559 PolarHBondContact O-N 2.9Å; F559-G565 WeakPolarHBondContact CE1-O 3.5Å; F559-A566 WeakPolarHBondContact CD1-O 3.35Å; F559-R567 HydrophobicContact CD1-CG 4.34Å; F559-R567 HydrophobicContact CE1-CG 3.61Å; F559-R567 HydrophobicContact CZ-CG 4.1Å
560	L	96.7	Very high	94.8	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	27%	0.271	C	S	.	.			trans	-85.8	-28.4	-179.1	-57.7	177	0	0	0	113.3	W520 L542 F557 E558 S568 I590 R593	W520-L560 HydrophobicContact CZ3-CD2 4.12Å; L542-L560 HydrophobicContact CD2-CD1 4.29Å; F557-L560 WeakPolarHBondContact O-CD2 3.29Å; E558-L560 PolarHBondContact O-N 3.02Å; L560-S568 PolarHBondContact N-OG 3.34Å; L560-I590 HydrophobicContact CB-CG2 4.18Å; L560-I590 HydrophobicContact CD1-CD1 4.44Å; L560-R593 PolarHBondContact O-NE 3.25Å
561	G	95.7	Very high	94.6	Very high	3 Å²	3	55.3 Å²	55.3	3%	0.031	28%	0.282	C	S	.	.	S	Bend	trans	-70.3	174.8	177.4	0	0	0	0	0	114.2
562	R	96.5	Very high	94.1	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.296	C	S	.	.	S	Bend	trans	-81.7	-22.9	176.7	-70.7	-174.8	164.6	143.8	-11.7	113.2	F227 T421 R422 D528 D530 R564 D591 G592 R593	F227-R562 HydrophobicContact CE1-CB 4.05Å; T421-R562 CarbonylContact C-O 3.58Å; T421-R562 WeakPolarHBondContact CA-O 3.32Å; T421-R562 WeakPolarHBondContact CB-O 3.27Å; R422-R562 PolarHBondContact N-O 3.45Å; D528-R562 PolarHBondContact O-NH2 2.7Å; D528-R562 IonicContact OD1-CZ 2.74Å; D528-R562 IonicContact OD1-NE 3.6Å; D528-R562 PolarHBondContact OD1-NE 3.44Å; D528-R562 IonicContact OD1-NH2 2.92Å; D528-R562 PolarHBondContact OD1-NH2 2.51Å; D528-R562 IonicContact OD2-CZ 2.78Å; D528-R562 IonicContact OD2-NE 3.5Å; D528-R562 IonicContact OD2-NH2 3.15Å; D528-R562 PolarHBondContact OD2-NH2 2.67Å; D530-R562 IonicContact OD1-CZ 2.7Å; D530-R562 VanDerWaalsContact OD1-CZ 3.29Å; D530-R562 IonicContact OD1-NH1 2.74Å; D530-R562 PolarHBondContact OD1-NH1 2.85Å; D530-R562 IonicContact OD1-NH2 3.99Å; D530-R562 PolarHBondContact OD1-NH2 2.58Å; R562-R564 PolarHBondContact O-N 3.24Å; R562-D591 PolarHBondContact N-O 3.31Å; R562-G592 WeakPolarHBondContact CD-O 3.13Å; R562-G592 PolarHBondContact NH1-O 3.36Å; R562-R593 HydrophobicContact CG-CG 4.25Å
563	I	95.3	Very high	93.3	Very high	25 Å²	25	58.9 Å²	58.9	13%	0.128	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-73.4	125.4	176.8	-52.2	167.5	0	0	0	109.8	R225 F227 G565 A566 D591	R225-I563 VanDerWaalsContact NH1-CG1 3.33Å; F227-I563 HydrophobicContact CZ-CG1 4.24Å; I563-G565 PolarHBondContact O-N 3.33Å; I563-A566 HydrophobicContact CB-CB 3.73Å; I563-A566 HydrophobicContact CD1-CB 4.33Å; I563-A566 HydrophobicContact CG2-CB 3.85Å; I563-A566 PolarHBondContact O-N 2.84Å; I563-D591 HydrophobicContact CD1-CB 3.25Å; I563-D591 HydrophobicContact CG1-CB 3.75Å
564	R	93	Very high	92.2	Very high	94 Å²	94	55.6 Å²	55.6	36%	0.355	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	127.2	176.9	-63.6	177.9	179.6	-167.8	-5.7	109.9	Q420 T421 R422 R562 A566	Q420-R564 VanDerWaalsContact O-CB 3.32Å; Q420-R564 WeakPolarHBondContact O-CB 3.27Å; Q420-R564 WeakPolarHBondContact O-CG 3.3Å; Q420-R564 PolarHBondContact O-N 3.15Å; T421-R564 PolarHBondContact O-NE 3.4Å; T421-R564 PolarHBondContact O-NH2 2.72Å; R422-R564 HydrophobicContact CG-CG 4.26Å; R562-R564 PolarHBondContact O-N 3.24Å; R564-A566 VanDerWaalsContact C-N 3.3Å; R564-A566 PolarHBondContact O-N 3.34Å
565	G	89.7	Confident	91	Very high	58 Å²	58	56.8 Å²	56.8	60%	0.598	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	-7.8	178.8	0	0	0	0	0	115.2	F559 I563 R567	F559-G565 WeakPolarHBondContact CE1-O 3.5Å; I563-G565 PolarHBondContact O-N 3.33Å; G565-R567 PolarHBondContact O-N 2.91Å
566	A	92.4	Very high	89.9	Confident	26 Å²	26	57.7 Å²	57.7	22%	0.215	30%	0.295	C	S	.	.			trans	-78.1	117.3	171.5	0	0	0	0	0	110.1	F559 I563 R564	F559-A566 WeakPolarHBondContact CD1-O 3.35Å; I563-A566 HydrophobicContact CB-CB 3.73Å; I563-A566 HydrophobicContact CD1-CB 4.33Å; I563-A566 HydrophobicContact CG2-CB 3.85Å; I563-A566 PolarHBondContact O-N 2.84Å; R564-A566 VanDerWaalsContact C-N 3.3Å; R564-A566 PolarHBondContact O-N 3.34Å
567	R	94.4	Very high	88.9	Confident	140 Å²	140	59.2 Å²	59.2	53%	0.528	30%	0.302	S	S	.	.			trans	-79.7	139.8	177.6	-62.7	177.3	179.8	-136.7	5.4	110.2	E558 F559 G565 T569 N589	E558-R567 HydrophobicContact CB-CB 4.46Å; E558-R567 VanDerWaalsContact CD-NH1 3.27Å; E558-R567 HydrophobicContact CG-CB 4.44Å; E558-R567 HydrophobicContact CG-CG 4.06Å; E558-R567 CarbonylContact O-C 3.59Å; E558-R567 IonicContact OE1-CZ 3.94Å; E558-R567 VanDerWaalsContact OE1-CZ 3.3Å; E558-R567 IonicContact OE1-NE 3.21Å; E558-R567 IonicContact OE1-NH1 3.27Å; E558-R567 PolarHBondContact OE1-NH1 3.44Å; E558-R567 IonicContact OE1-NH2 3.58Å; E558-R567 WeakPolarHBondContact OE2-CD 3.35Å; E558-R567 IonicContact OE2-CZ 3.37Å; E558-R567 IonicContact OE2-NE 3.68Å; E558-R567 IonicContact OE2-NH1 3.59Å; E558-R567 PolarHBondContact OE2-NH1 3.26Å; F559-R567 HydrophobicContact CD1-CG 4.34Å; F559-R567 HydrophobicContact CE1-CG 3.61Å; F559-R567 HydrophobicContact CZ-CG 4.1Å; G565-R567 PolarHBondContact O-N 2.91Å; R567-T569 HydrophobicContact CB-CG2 4.37Å; R567-T569 PolarHBondContact O-N 3Å; R567-N589 PolarHBondContact O-ND2 2.93Å; R567-N589 PolarHBondContact O-OD1 3.1Å
568	S	96.2	Very high	87.4	Confident	4 Å²	4	64.9 Å²	64.9	3%	0.028	33%	0.327	C	S	.	.			trans	-81.1	113.4	172.6	-40.7	0	0	0	0	107.1	E558 L560 N589	E558-S568 VanDerWaalsContact O-CB 3.31Å; E558-S568 WeakPolarHBondContact O-CB 3.28Å; E558-S568 PolarHBondContact O-N 2.79Å; E558-S568 PolarHBondContact O-OG 3.09Å; L560-S568 PolarHBondContact N-OG 3.34Å; S568-N589 WeakPolarHBondContact CA-O 3.1Å; S568-N589 WeakPolarHBondContact CB-O 3.26Å
569	T	93.9	Very high	85.9	Confident	61 Å²	61	66.3 Å²	66.3	37%	0.374	33%	0.333	S	S	.	.			trans	-117.7	141.7	-174.6	60.3	0	0	0	0	109.7	R567 V588 N589	R567-T569 HydrophobicContact CB-CG2 4.37Å; R567-T569 PolarHBondContact O-N 3Å; T569-V588 WeakPolarHBondContact O-CA 3.31Å; T569-N589 PolarHBondContact N-OD1 3.41Å; T569-N589 PolarHBondContact O-N 3.39Å; T569-N589 PolarHBondContact O-OD1 3.42Å; T569-N589 PolarHBondContact OG1-OD1 3.47Å
570	I	94.5	Very high	84.4	Confident	45 Å²	45	66.2 Å²	66.2	23%	0.231	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	130	178.2	-54.6	157.3	0	0	0	108.1	P543 I546 N547 K586 F587 V588	P543-I570 HydrophobicContact CB-CD1 3.95Å; P543-I570 HydrophobicContact CB-CG1 4.36Å; P543-I570 HydrophobicContact CB-CG2 4.47Å; I546-I570 HydrophobicContact CB-CD1 4.08Å; I546-I570 HydrophobicContact CB-CG1 4.46Å; I546-I570 HydrophobicContact CD1-CG1 4.23Å; I546-I570 HydrophobicContact CG2-CD1 3.93Å; I546-I570 HydrophobicContact CG2-CG1 4.25Å; N547-I570 WeakPolarHBondContact OD1-CD1 3.31Å; I570-K586 HydrophobicContact CG2-CB 4.19Å; I570-K586 HydrophobicContact CG2-CD 4.21Å; I570-K586 HydrophobicContact CG2-CG 4.27Å; I570-F587 CarbonylContact C-O 3.5Å; I570-V588 HydrophobicContact CG1-CG2 4.08Å
571	R	90.9	Very high	83.2	Confident	178 Å²	178	67.3 Å²	67.3	67%	0.672	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.4	169.7	-64	-175.7	-178.1	-177.7	1.3	109.1	K586 F587	R571-K586 CarbonylContact O-C 3.58Å; R571-K586 WeakPolarHBondContact O-CA 3.07Å; R571-F587 PolarHBondContact N-O 2.8Å; R571-F587 PolarHBondContact O-N 3Å
572	E	87	Confident	82.3	Confident	156 Å²	156	69.9 Å²	69.9	73%	0.729	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	134.4	172.6	-60.6	-176.9	163.8	0	0	108.8	K586	E572-K586 HydrophobicContact CG-CG 4.23Å
573	A	80.5	Confident	81.4	Confident	42 Å²	42	70.9 Å²	70.9	35%	0.347	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	131.7	175	0	0	0	0	0	109.9	T575 N585 F587	A573-T575 PolarHBondContact O-N 3.19Å; A573-N585 PolarHBondContact N-O 3.33Å; A573-N585 PolarHBondContact O-N 3.1Å; A573-F587 HydrophobicContact CB-CD2 3.93Å; A573-F587 HydrophobicContact CB-CE2 3.79Å
574	M	75.3	Confident	80.7	Confident	88 Å²	88	76.3 Å²	76.3	43%	0.433	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	113.2	172	-168.5	169.9	-124.8	0	0	108.5	R582 E584 L1069	M574-R582 HydrophobicContact CE-CG 3.94Å; M574-R582 HydrophobicContact CG-CG 4.36Å; M574-R582 HydrophobicContact SD-CG 4.33Å; M574-R582 PolarHBondContact SD-NE 3.43Å; M574-R582 PolarHBondContact SD-NH2 3.01Å; M574-R582 VanDerWaalsContact SD-NH2 3.4Å; M574-E584 HydrophobicContact CE-CG 4.5Å; M574-L1069 HydrophobicContact CE-CD2 3.96Å
575	T	70.9	Confident	80.3	Confident	35 Å²	35	72.3 Å²	72.3	22%	0.215	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.4	174	52.4	0	0	0	0	108.3	A573 R582 R583 N585 F587	A573-T575 PolarHBondContact O-N 3.19Å; T575-R582 WeakPolarHBondContact O-CA 3.24Å; T575-R583 PolarHBondContact N-O 2.94Å; T575-R583 PolarHBondContact O-N 2.82Å; T575-R583 PolarHBondContact OG1-O 3.18Å; T575-N585 HydrophobicContact CG2-CB 4.22Å; T575-N585 PolarHBondContact OG1-ND2 3.32Å; T575-N585 VanDerWaalsContact OG1-ND2 3.15Å; T575-F587 HydrophobicContact CG2-CE2 4.46Å; T575-F587 HydrophobicContact CG2-CZ 4.41Å
576	Q	67.8	Low	80.3	Confident	156 Å²	156	72.6 Å²	72.6	73%	0.729	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	108.1	172.7	-172.4	178.4	7.1	0	0	108.2	G581 R582	Q576-G581 WeakPolarHBondContact CA-O 3.35Å; Q576-R582 HydrophobicContact CG-CB 4.46Å
577	S	69.2	Low	80.1	Confident	51 Å²	51	74.2 Å²	74.2	36%	0.357	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	156.2	172.3	75.2	0	0	0	0	110	Q579 M580 G581	S577-Q579 PolarHBondContact O-N 3.31Å; S577-M580 WeakPolarHBondContact OG-CB 3.2Å; S577-M580 PolarHBondContact OG-N 3.01Å; S577-G581 PolarHBondContact N-O 3.41Å; S577-G581 VanDerWaalsContact N-O 3.16Å; S577-G581 WeakPolarHBondContact O-CA 3.43Å; S577-G581 PolarHBondContact O-N 3.33Å
578	K	66.3	Low	80.1	Confident	123 Å²	123	68 Å²	68	54%	0.535	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-30.9	175.4	-69.9	-168.6	178.5	-167.8	0	112.1	L37	L37-K578 HydrophobicContact CD1-CD 4.4Å
579	Q	60.8	Low	80	Confident	63 Å²	63	70 Å²	70	29%	0.294	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-47.5	-178.2	-174	175.3	3	0	0	112.5	S577 R604	S577-Q579 PolarHBondContact O-N 3.31Å; Q579-R604 PolarHBondContact NE2-O 3.41Å
580	M	65.9	Low	80	Confident	40 Å²	40	67.4 Å²	67.4	20%	0.197	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-11.2	-174.9	-61.1	-176.1	73.6	0	0	114.3	S577 R583 F603	S577-M580 WeakPolarHBondContact OG-CB 3.2Å; S577-M580 PolarHBondContact OG-N 3.01Å; M580-R583 WeakPolarHBondContact O-CD 3.43Å; M580-R583 PolarHBondContact O-NE 2.85Å; M580-F603 HydrophobicContact CE-CB 4.39Å
581	G	71	Confident	80	Confident	25 Å²	25	67.8 Å²	67.8	26%	0.258	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	76.8	-163.9	-170.8	0	0	0	0	0	112.8	Q576 S577	Q576-G581 WeakPolarHBondContact CA-O 3.35Å; S577-G581 PolarHBondContact N-O 3.41Å; S577-G581 VanDerWaalsContact N-O 3.16Å; S577-G581 WeakPolarHBondContact O-CA 3.43Å; S577-G581 PolarHBondContact O-N 3.33Å
582	R	75.8	Confident	80.2	Confident	58 Å²	58	59.3 Å²	59.3	22%	0.219	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	115.9	174.6	-172.8	179.6	-175.4	-173	-4.5	108.6	M574 T575 Q576 E1044 L1069	M574-R582 HydrophobicContact CE-CG 3.94Å; M574-R582 HydrophobicContact CG-CG 4.36Å; M574-R582 HydrophobicContact SD-CG 4.33Å; M574-R582 PolarHBondContact SD-NE 3.43Å; M574-R582 PolarHBondContact SD-NH2 3.01Å; M574-R582 VanDerWaalsContact SD-NH2 3.4Å; T575-R582 WeakPolarHBondContact O-CA 3.24Å; Q576-R582 HydrophobicContact CG-CB 4.46Å; R582-E1044 IonicContact CZ-OE1 3.17Å; R582-E1044 IonicContact CZ-OE2 3.3Å; R582-E1044 IonicContact NH1-OE1 2.71Å; R582-E1044 PolarHBondContact NH1-OE1 2.56Å; R582-E1044 IonicContact NH1-OE2 2.72Å; R582-E1044 PolarHBondContact NH1-OE2 3.02Å; R582-E1044 IonicContact NH2-OE1 2.7Å; R582-L1069 HydrophobicContact CG-CD2 4.32Å
583	R	78.5	Confident	80.7	Confident	20 Å²	20	52.2 Å²	52.2	8%	0.075	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	149.6	-177.4	-65.4	177.9	-179.3	-90.8	-12	110.5	T575 M580 E1037 G1070	T575-R583 PolarHBondContact N-O 2.94Å; T575-R583 PolarHBondContact O-N 2.82Å; T575-R583 PolarHBondContact OG1-O 3.18Å; M580-R583 WeakPolarHBondContact O-CD 3.43Å; M580-R583 PolarHBondContact O-NE 2.85Å; R583-E1037 IonicContact CZ-OE1 3.77Å; R583-E1037 IonicContact NH2-OE1 3.6Å; R583-E1037 PolarHBondContact NH2-OE1 3.3Å; R583-G1070 VanDerWaalsContact CZ-O 3.26Å; R583-G1070 PolarHBondContact NH1-O 2.96Å; R583-G1070 PolarHBondContact NH2-O 2.89Å
584	E	80.2	Confident	81.4	Confident	140 Å²	140	50.2 Å²	50.2	65%	0.654	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	118.2	166.8	-69.4	-179.2	-178	0	0	108.2	M574	M574-E584 HydrophobicContact CE-CG 4.5Å
585	N	84.4	Confident	82.4	Confident	9 Å²	9	47.7 Å²	47.7	5%	0.048	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144.8	176.5	-82.2	-15.7	0	0	0	110	N539 A573 T575 F587 Q600	N539-N585 PolarHBondContact ND2-OD1 3.33Å; N539-N585 WeakPolarHBondContact OD1-CA 3.36Å; A573-N585 PolarHBondContact N-O 3.33Å; A573-N585 PolarHBondContact O-N 3.1Å; T575-N585 HydrophobicContact CG2-CB 4.22Å; T575-N585 PolarHBondContact OG1-ND2 3.32Å; T575-N585 VanDerWaalsContact OG1-ND2 3.15Å; N585-F587 HydrophobicContact CB-CE2 3.9Å; N585-F587 HydrophobicContact CB-CZ 4.33Å; N585-Q600 PolarHBondContact ND2-OE1 3.07Å
586	K	90.2	Very high	83.5	Confident	65 Å²	65	46 Å²	46	28%	0.283	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	151.5	169.5	-68	176.6	-175.4	168.4	0	109	Q538 N539 P543 I570 R571 E572	Q538-K586 WeakPolarHBondContact CG-O 3.39Å; Q538-K586 PolarHBondContact NE2-O 2.98Å; Q538-K586 WeakPolarHBondContact O-CB 3.44Å; N539-K586 PolarHBondContact OD1-N 3.29Å; P543-K586 HydrophobicContact CB-CD 3.88Å; P543-K586 HydrophobicContact CG-CB 4.06Å; P543-K586 HydrophobicContact CG-CD 3.66Å; P543-K586 HydrophobicContact CG-CG 4.49Å; I570-K586 HydrophobicContact CG2-CB 4.19Å; I570-K586 HydrophobicContact CG2-CD 4.21Å; I570-K586 HydrophobicContact CG2-CG 4.27Å; R571-K586 CarbonylContact O-C 3.58Å; R571-K586 WeakPolarHBondContact O-CA 3.07Å; E572-K586 HydrophobicContact CG-CG 4.23Å
587	F	89.3	Confident	84.8	Confident	60 Å²	60	38.8 Å²	38.8	26%	0.263	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	125.2	176.4	-69	-87.9	0	0	0	108.1	Q538 I570 R571 A573 T575 N585 T687	Q538-F587 VanDerWaalsContact NE2-CD1 3.29Å; Q538-F587 VanDerWaalsContact NE2-CE1 3.32Å; I570-F587 CarbonylContact C-O 3.5Å; R571-F587 PolarHBondContact N-O 2.8Å; R571-F587 PolarHBondContact O-N 3Å; A573-F587 HydrophobicContact CB-CD2 3.93Å; A573-F587 HydrophobicContact CB-CE2 3.79Å; T575-F587 HydrophobicContact CG2-CE2 4.46Å; T575-F587 HydrophobicContact CG2-CZ 4.41Å; N585-F587 HydrophobicContact CB-CE2 3.9Å; N585-F587 HydrophobicContact CB-CZ 4.33Å; F587-T687 HydrophobicContact CE1-CG2 4.37Å
588	V	93.6	Very high	86	Confident	8 Å²	8	36.3 Å²	36.3	5%	0.048	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.9	174.3	-179	0	0	0	0	108	L542 P543 I546 T569 I570 I590 Q595	L542-V588 HydrophobicContact CB-CG2 4.05Å; P543-V588 HydrophobicContact CG-CG2 4.45Å; I546-V588 HydrophobicContact CD1-CB 4.49Å; I546-V588 HydrophobicContact CD1-CG1 3.48Å; I546-V588 VanDerWaalsContact CD1-CG1 3.48Å; I546-V588 HydrophobicContact CD1-CG2 4.13Å; T569-V588 WeakPolarHBondContact O-CA 3.31Å; I570-V588 HydrophobicContact CG1-CG2 4.08Å; V588-I590 HydrophobicContact CG1-CD1 4.28Å; V588-I590 HydrophobicContact CG1-CG1 3.91Å; V588-I590 PolarHBondContact O-N 2.96Å; V588-Q595 PolarHBondContact O-NE2 2.94Å
589	N	93.2	Very high	87.3	Confident	48 Å²	48	31.2 Å²	31.2	26%	0.257	15%	0.152	S	C	.	.			trans	-77.1	120.6	173	65.7	-70.7	0	0	0	110.1	R567 S568 T569 D591	R567-N589 PolarHBondContact O-ND2 2.93Å; R567-N589 PolarHBondContact O-OD1 3.1Å; S568-N589 WeakPolarHBondContact CA-O 3.1Å; S568-N589 WeakPolarHBondContact CB-O 3.26Å; T569-N589 PolarHBondContact N-OD1 3.41Å; T569-N589 PolarHBondContact O-N 3.39Å; T569-N589 PolarHBondContact O-OD1 3.42Å; T569-N589 PolarHBondContact OG1-OD1 3.47Å; N589-D591 PolarHBondContact ND2-OD2 3.03Å
590	I	95.6	Very high	88.6	Confident	6 Å²	6	29.2 Å²	29.2	3%	0.031	14%	0.143	C	C	.	.			trans	-130.3	70.1	174.9	-52.2	-176.9	0	0	0	107.5	I532 L542 L560 V588 G592 R593 Q595	I532-I590 HydrophobicContact CD1-CD1 4.05Å; I532-I590 HydrophobicContact CD1-CG2 4.13Å; L542-I590 HydrophobicContact CD1-CD1 3.94Å; L542-I590 HydrophobicContact CD2-CD1 4.16Å; L560-I590 HydrophobicContact CB-CG2 4.18Å; L560-I590 HydrophobicContact CD1-CD1 4.44Å; V588-I590 HydrophobicContact CG1-CD1 4.28Å; V588-I590 HydrophobicContact CG1-CG1 3.91Å; V588-I590 PolarHBondContact O-N 2.96Å; I590-G592 PolarHBondContact O-N 3.37Å; I590-R593 HydrophobicContact CG2-CB 3.93Å; I590-R593 HydrophobicContact CG2-CG 4.01Å; I590-R593 PolarHBondContact O-N 3.36Å; I590-R593 VanDerWaalsContact O-O 3.09Å; I590-Q595 HydrophobicContact CD1-CG 4.19Å
591	D	93.2	Very high	89.8	Confident	52 Å²	52	27.5 Å²	27.5	28%	0.278	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	132.6	-168.2	-58.4	-90.6	0	0	0	113	R562 I563 N589 R593	R562-D591 PolarHBondContact N-O 3.31Å; I563-D591 HydrophobicContact CD1-CB 3.25Å; I563-D591 HydrophobicContact CG1-CB 3.75Å; N589-D591 PolarHBondContact ND2-OD2 3.03Å; D591-R593 VanDerWaalsContact C-N 3.31Å
592	G	95.6	Very high	90.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	6.8	-176.8	0	0	0	0	0	115.2	F227 R562 I590	F227-G592 VanDerWaalsContact CD2-CA 3.4Å; F227-G592 VanDerWaalsContact CE2-CA 3.48Å; F227-G592 VanDerWaalsContact CG-CA 3.49Å; R562-G592 WeakPolarHBondContact CD-O 3.13Å; R562-G592 PolarHBondContact NH1-O 3.36Å; I590-G592 PolarHBondContact O-N 3.37Å
593	R	96.6	Very high	91.1	Very high	7 Å²	7	24.9 Å²	24.9	3%	0.026	12%	0.118	C	C	.	.	S	Bend	trans	-128.1	140.3	169.3	-49.3	-172.9	-168.3	-76.9	4.2	109.5	D528 P529 D530 I532 L560 R562 I590 D591	D528-R593 IonicContact OD1-CZ 3.74Å; D528-R593 IonicContact OD1-NH1 2.63Å; D528-R593 PolarHBondContact OD1-NH1 3.47Å; D528-R593 IonicContact OD1-NH2 3.15Å; P529-R593 VanDerWaalsContact CD-NH1 3.34Å; P529-R593 VanDerWaalsContact N-NH1 3.18Å; P529-R593 WeakPolarHBondContact O-CD 3.25Å; P529-R593 WeakPolarHBondContact O-CG 3.18Å; P529-R593 PolarHBondContact O-NH1 2.76Å; D530-R593 CarbonylContact O-C 3.57Å; D530-R593 WeakPolarHBondContact O-CA 3.08Å; I532-R593 HydrophobicContact CD1-CB 4.43Å; L560-R593 PolarHBondContact O-NE 3.25Å; R562-R593 HydrophobicContact CG-CG 4.25Å; I590-R593 HydrophobicContact CG2-CB 3.93Å; I590-R593 HydrophobicContact CG2-CG 4.01Å; I590-R593 PolarHBondContact O-N 3.36Å; I590-R593 VanDerWaalsContact O-O 3.09Å; D591-R593 VanDerWaalsContact C-N 3.31Å
594	V	96.1	Very high	91.4	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	128.4	179.3	-168.8	0	0	0	0	109.8	F200 D530 I531 I532 F596 L682 T683 L686	F200-V594 HydrophobicContact CD2-CG2 3.47Å; F200-V594 VanDerWaalsContact CD2-CG2 3.47Å; F200-V594 HydrophobicContact CE2-CG2 3.84Å; D530-V594 PolarHBondContact O-N 2.92Å; I531-V594 CarbonylContact C-O 3.49Å; I531-V594 VanDerWaalsContact CA-O 3.24Å; I531-V594 WeakPolarHBondContact CA-O 3.33Å; I531-V594 HydrophobicContact CG1-CB 4.38Å; I532-V594 PolarHBondContact N-O 3.39Å; V594-F596 HydrophobicContact CB-CD2 4.25Å; V594-F596 HydrophobicContact CB-CE2 4.2Å; V594-F596 HydrophobicContact CG1-CD2 3.63Å; V594-F596 HydrophobicContact CG1-CE2 3.45Å; V594-F596 VanDerWaalsContact CG1-CE2 3.45Å; V594-L682 HydrophobicContact CG2-CD2 4.42Å; V594-T683 HydrophobicContact CG1-CG2 4.07Å; V594-T683 HydrophobicContact CG2-CG2 4.08Å; V594-L686 HydrophobicContact CG1-CD1 3.63Å
595	Q	95.3	Very high	91.5	Very high	34 Å²	34	22.2 Å²	22.2	16%	0.159	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	111.9	176	-73.8	164.9	79.6	0	0	109.8	I532 V588 I590 L686	I532-Q595 CarbonylContact O-C 3.56Å; I532-Q595 WeakPolarHBondContact O-CA 3.47Å; V588-Q595 PolarHBondContact O-NE2 2.94Å; I590-Q595 HydrophobicContact CD1-CG 4.19Å; Q595-L686 VanDerWaalsContact O-CD1 3.3Å; Q595-L686 WeakPolarHBondContact O-CD1 3.48Å
596	F	94.8	Very high	91.5	Very high	1 Å²	1	23.2 Å²	23.2	0%	0.004	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	76.1	172.9	-88.8	-107.7	0	0	0	108.8	I531 I532 T533 V594 L598 I601 I668 N671 L682 L686	I531-F596 HydrophobicContact CD1-CE2 4.45Å; I531-F596 HydrophobicContact CG1-CD2 4.32Å; I531-F596 HydrophobicContact CG2-CB 3.84Å; I531-F596 HydrophobicContact CG2-CD2 3.75Å; I531-F596 HydrophobicContact CG2-CG 4.07Å; I532-F596 PolarHBondContact O-N 3.41Å; T533-F596 WeakPolarHBondContact CA-O 3.28Å; T533-F596 WeakPolarHBondContact CB-O 3.29Å; T533-F596 PolarHBondContact OG1-O 2.99Å; V594-F596 HydrophobicContact CB-CD2 4.25Å; V594-F596 HydrophobicContact CB-CE2 4.2Å; V594-F596 HydrophobicContact CG1-CD2 3.63Å; V594-F596 HydrophobicContact CG1-CE2 3.45Å; V594-F596 VanDerWaalsContact CG1-CE2 3.45Å; F596-L598 PolarHBondContact O-N 2.79Å; F596-I601 HydrophobicContact CB-CD1 4.21Å; F596-I601 HydrophobicContact CD1-CD1 3.49Å; F596-I601 VanDerWaalsContact CD1-CD1 3.49Å; F596-I601 HydrophobicContact CE1-CD1 4.3Å; F596-I601 HydrophobicContact CG-CD1 4.27Å; F596-I668 HydrophobicContact CD1-CD1 3.46Å; F596-I668 VanDerWaalsContact CD1-CD1 3.46Å; F596-I668 HydrophobicContact CD2-CD1 4.15Å; F596-I668 HydrophobicContact CE1-CD1 3.53Å; F596-I668 HydrophobicContact CE2-CD1 4.15Å; F596-I668 HydrophobicContact CG-CD1 3.82Å; F596-I668 HydrophobicContact CZ-CD1 3.88Å; F596-N671 HydrophobicContact CE1-CB 4.13Å; F596-N671 HydrophobicContact CZ-CB 4.07Å; F596-L682 HydrophobicContact CE2-CD2 4.03Å; F596-L682 HydrophobicContact CE2-CG 4.27Å; F596-L682 HydrophobicContact CZ-CD1 4.18Å; F596-L682 HydrophobicContact CZ-CD2 4.2Å; F596-L682 HydrophobicContact CZ-CG 4.24Å; F596-L686 HydrophobicContact CD2-CD1 3.88Å; F596-L686 HydrophobicContact CE1-CD2 4.22Å; F596-L686 HydrophobicContact CE2-CD1 3.79Å; F596-L686 HydrophobicContact CG-CD1 4.32Å; F596-L686 HydrophobicContact CZ-CD1 4.12Å; F596-L686 HydrophobicContact CZ-CD2 4.37Å
597	D	95.3	Very high	91	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.016	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	113.9	170.5	-173.5	-24.9	0	0	0	109.1	N536 I537 Q538 L599 Q600 I601	N536-D597 WeakPolarHBondContact CA-OD1 3.47Å; N536-D597 VanDerWaalsContact CA-OD2 3.23Å; N536-D597 WeakPolarHBondContact CA-OD2 3.45Å; N536-D597 PolarHBondContact N-OD1 2.89Å; I537-D597 HydrophobicContact CG1-CB 3.98Å; I537-D597 PolarHBondContact N-OD2 3.14Å; I537-D597 VanDerWaalsContact N-OD2 3.11Å; Q538-D597 HydrophobicContact CB-CB 4.02Å; Q538-D597 VanDerWaalsContact CB-OD2 3.24Å; Q538-D597 WeakPolarHBondContact CB-OD2 3.16Å; Q538-D597 PolarHBondContact N-OD2 2.83Å; D597-L599 PolarHBondContact O-N 2.89Å; D597-L599 WeakPolarHBondContact OD1-CB 3.29Å; D597-L599 PolarHBondContact OD1-N 2.77Å; D597-Q600 HydrophobicContact CB-CB 4.33Å; D597-Q600 HydrophobicContact CB-CG 3.95Å; D597-Q600 PolarHBondContact O-N 3.25Å; D597-Q600 VanDerWaalsContact O-N 3.12Å; D597-I601 PolarHBondContact O-N 2.82Å
598	L	95.4	Very high	90.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.8	-34.3	-174.7	179.1	61.7	0	0	0	111.8	G534 Y535 F596 Q600 I601 L602 P658 L661 L662	G534-L598 WeakPolarHBondContact O-CB 3.35Å; G534-L598 PolarHBondContact O-N 3.46Å; G534-L598 VanDerWaalsContact O-N 3.15Å; Y535-L598 HydrophobicContact CD2-CB 4.31Å; Y535-L598 HydrophobicContact CD2-CD2 4.09Å; Y535-L598 HydrophobicContact CD2-CG 4.33Å; Y535-L598 HydrophobicContact CE2-CD2 4.35Å; Y535-L598 HydrophobicContact CE2-CG 4.45Å; F596-L598 PolarHBondContact O-N 2.79Å; L598-Q600 VanDerWaalsContact C-N 3.32Å; L598-Q600 PolarHBondContact O-N 2.86Å; L598-I601 PolarHBondContact O-N 2.88Å; L598-L602 HydrophobicContact CD1-CD1 4.39Å; L598-L602 HydrophobicContact CD1-CG 4.21Å; L598-L602 HydrophobicContact CG-CD1 3.97Å; L598-L602 HydrophobicContact CG-CG 4.28Å; L598-L602 VanDerWaalsContact O-CG 3.26Å; L598-L602 WeakPolarHBondContact O-CG 3.26Å; L598-L602 PolarHBondContact O-N 2.76Å; L598-P658 HydrophobicContact CD2-CB 4.04Å; L598-L661 HydrophobicContact CD1-CB 4.44Å; L598-L661 HydrophobicContact CD2-CB 3.41Å; L598-L661 VanDerWaalsContact CD2-CB 3.41Å; L598-L661 HydrophobicContact CD2-CD1 3.57Å; L598-L661 HydrophobicContact CD2-CG 4.12Å; L598-L662 HydrophobicContact CD1-CD2 4.15Å; L598-L662 HydrophobicContact CD1-CG 4.45Å
599	L	93.1	Very high	89.8	Confident	15 Å²	15	25.9 Å²	25.9	8%	0.079	12%	0.119	C	C	.	.	H	α-helix	trans	-63.8	-40	179	179.7	60	0	0	0	111.4	Y535 N536 D597 I601 L602 F603 Y611	Y535-L599 HydrophobicContact CD1-CB 4.49Å; Y535-L599 HydrophobicContact CE1-CB 4.34Å; Y535-L599 HydrophobicContact CE1-CD1 4.01Å; Y535-L599 HydrophobicContact CE1-CD2 4.44Å; Y535-L599 HydrophobicContact CE1-CG 4.49Å; N536-L599 HydrophobicContact CB-CD2 3.68Å; N536-L599 WeakPolarHBondContact OD1-CD2 3.27Å; D597-L599 PolarHBondContact O-N 2.89Å; D597-L599 WeakPolarHBondContact OD1-CB 3.29Å; D597-L599 PolarHBondContact OD1-N 2.77Å; L599-I601 VanDerWaalsContact C-N 3.34Å; L599-I601 PolarHBondContact O-N 2.99Å; L599-L602 PolarHBondContact O-N 3.3Å; L599-F603 HydrophobicContact CD1-CD2 4.1Å; L599-F603 HydrophobicContact CD1-CE1 4.33Å; L599-F603 HydrophobicContact CD1-CE2 3.56Å; L599-F603 HydrophobicContact CD1-CZ 3.68Å; L599-F603 HydrophobicContact CD2-CE2 3.89Å; L599-F603 HydrophobicContact CD2-CZ 4.42Å; L599-F603 HydrophobicContact CG-CD2 3.94Å; L599-F603 HydrophobicContact CG-CE2 3.48Å; L599-F603 VanDerWaalsContact CG-CE2 3.48Å; L599-F603 HydrophobicContact CG-CZ 4.1Å; L599-F603 VanDerWaalsContact O-CD2 3.31Å; L599-F603 WeakPolarHBondContact O-CD2 3.24Å; L599-F603 PolarHBondContact O-N 3.32Å; L599-Y611 HydrophobicContact CD1-CD1 4.43Å
600	Q	88.7	Confident	89.3	Confident	22 Å²	22	24.7 Å²	24.7	10%	0.103	12%	0.115	C	C	.	.	H	α-helix	trans	-65.8	-38.6	177.1	-62.7	-58.7	-50.6	0	0	111.8	N539 N585 D597 L598 F603 R604	N539-Q600 PolarHBondContact ND2-NE2 3.26Å; N585-Q600 PolarHBondContact ND2-OE1 3.07Å; D597-Q600 HydrophobicContact CB-CB 4.33Å; D597-Q600 HydrophobicContact CB-CG 3.95Å; D597-Q600 PolarHBondContact O-N 3.25Å; D597-Q600 VanDerWaalsContact O-N 3.12Å; L598-Q600 VanDerWaalsContact C-N 3.32Å; L598-Q600 PolarHBondContact O-N 2.86Å; Q600-F603 PolarHBondContact O-N 3.41Å; Q600-R604 WeakPolarHBondContact O-CB 3.35Å; Q600-R604 PolarHBondContact O-N 3.28Å; Q600-R604 VanDerWaalsContact O-N 3.1Å
601	I	89.7	Confident	88.9	Confident	4 Å²	4	26.4 Å²	26.4	2%	0.021	12%	0.121	C	C	.	.	H	α-helix	trans	-64.1	-45	175.6	-62.2	167.8	0	0	0	110.2	F596 D597 L598 L599 F603 R604 D605 L662 C667	F596-I601 HydrophobicContact CB-CD1 4.21Å; F596-I601 HydrophobicContact CD1-CD1 3.49Å; F596-I601 VanDerWaalsContact CD1-CD1 3.49Å; F596-I601 HydrophobicContact CE1-CD1 4.3Å; F596-I601 HydrophobicContact CG-CD1 4.27Å; D597-I601 PolarHBondContact O-N 2.82Å; L598-I601 PolarHBondContact O-N 2.88Å; L599-I601 VanDerWaalsContact C-N 3.34Å; L599-I601 PolarHBondContact O-N 2.99Å; I601-F603 PolarHBondContact O-N 3.27Å; I601-R604 PolarHBondContact O-N 3.25Å; I601-R604 VanDerWaalsContact O-N 3.17Å; I601-D605 WeakPolarHBondContact CG2-OD2 3.5Å; I601-D605 WeakPolarHBondContact O-CB 3.45Å; I601-D605 PolarHBondContact O-N 3.27Å; I601-L662 HydrophobicContact CD1-CD2 4.11Å; I601-C667 HydrophobicContact CD1-CB 4.43Å
602	L	90.5	Very high	88.7	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.5	-40.5	178.7	-69	169.1	0	0	0	112.4	Y535 L598 L599 R604 Y606 Y611 V616 F620 L665	Y535-L602 HydrophobicContact CE2-CD1 3.84Å; L598-L602 HydrophobicContact CD1-CD1 4.39Å; L598-L602 HydrophobicContact CD1-CG 4.21Å; L598-L602 HydrophobicContact CG-CD1 3.97Å; L598-L602 HydrophobicContact CG-CG 4.28Å; L598-L602 VanDerWaalsContact O-CG 3.26Å; L598-L602 WeakPolarHBondContact O-CG 3.26Å; L598-L602 PolarHBondContact O-N 2.76Å; L599-L602 PolarHBondContact O-N 3.3Å; L602-R604 VanDerWaalsContact C-N 3.28Å; L602-R604 PolarHBondContact O-N 3.48Å; L602-Y606 HydrophobicContact CD2-CD2 3.76Å; L602-Y606 HydrophobicContact CD2-CE2 4.19Å; L602-Y606 HydrophobicContact CD2-CG 4.41Å; L602-Y606 WeakPolarHBondContact O-CA 3.48Å; L602-Y606 WeakPolarHBondContact O-CB 3.47Å; L602-Y606 PolarHBondContact O-N 2.89Å; L602-Y606 VanDerWaalsContact O-O 3.08Å; L602-Y611 HydrophobicContact CB-CD1 4.08Å; L602-Y611 HydrophobicContact CB-CE1 4.19Å; L602-V616 HydrophobicContact CD1-CB 4.41Å; L602-V616 HydrophobicContact CD1-CG1 3.57Å; L602-V616 HydrophobicContact CD1-CG2 4.07Å; L602-V616 HydrophobicContact CD2-CG1 4.34Å; L602-F620 HydrophobicContact CD2-CE2 3.95Å; L602-L665 HydrophobicContact CD2-CD1 3.7Å
603	F	84.8	Confident	88.6	Confident	27 Å²	27	27.3 Å²	27.3	12%	0.118	13%	0.128	C	C	.	.	H	α-helix	trans	-64.2	-33.9	174.5	-76.4	-43.7	0	0	0	113.1	M580 L599 Q600 I601 Y611	M580-F603 HydrophobicContact CE-CB 4.39Å; L599-F603 HydrophobicContact CD1-CD2 4.1Å; L599-F603 HydrophobicContact CD1-CE1 4.33Å; L599-F603 HydrophobicContact CD1-CE2 3.56Å; L599-F603 HydrophobicContact CD1-CZ 3.68Å; L599-F603 HydrophobicContact CD2-CE2 3.89Å; L599-F603 HydrophobicContact CD2-CZ 4.42Å; L599-F603 HydrophobicContact CG-CD2 3.94Å; L599-F603 HydrophobicContact CG-CE2 3.48Å; L599-F603 VanDerWaalsContact CG-CE2 3.48Å; L599-F603 HydrophobicContact CG-CZ 4.1Å; L599-F603 VanDerWaalsContact O-CD2 3.31Å; L599-F603 WeakPolarHBondContact O-CD2 3.24Å; L599-F603 PolarHBondContact O-N 3.32Å; Q600-F603 PolarHBondContact O-N 3.41Å; I601-F603 PolarHBondContact O-N 3.27Å; F603-Y611 AromaticContact CD1-CD1 3.74Å; F603-Y611 HydrophobicContact CD1-CD1 3.74Å; F603-Y611 HydrophobicContact CD1-CD2 4.27Å; F603-Y611 AromaticContact CD1-CE1 3.64Å; F603-Y611 HydrophobicContact CD1-CE1 3.64Å; F603-Y611 HydrophobicContact CD1-CE2 4.19Å; F603-Y611 HydrophobicContact CD1-CG 4.06Å; F603-Y611 AromaticContact CD1-CZ 3.87Å; F603-Y611 AromaticContact CE1-CD1 3.69Å; F603-Y611 HydrophobicContact CE1-CD1 3.69Å; F603-Y611 AromaticContact CE1-CD2 3.7Å; F603-Y611 HydrophobicContact CE1-CD2 3.7Å; F603-Y611 HydrophobicContact CE1-CE1 4.01Å; F603-Y611 HydrophobicContact CE1-CE2 4.01Å; F603-Y611 AromaticContact CE1-CG 3.53Å; F603-Y611 HydrophobicContact CE1-CG 3.53Å; F603-Y611 HydrophobicContact CZ-CG 4.29Å
604	R	83.6	Confident	88.2	Confident	39 Å²	39	27.2 Å²	27.2	15%	0.147	13%	0.128	C	C	.	.	H	α-helix	trans	-73.8	-46.2	178.1	-171.4	-172.3	68.3	-174.8	-2.3	111.4	Q579 Q600 I601 L602 N671 L685	Q579-R604 PolarHBondContact NE2-O 3.41Å; Q600-R604 WeakPolarHBondContact O-CB 3.35Å; Q600-R604 PolarHBondContact O-N 3.28Å; Q600-R604 VanDerWaalsContact O-N 3.1Å; I601-R604 PolarHBondContact O-N 3.25Å; I601-R604 VanDerWaalsContact O-N 3.17Å; L602-R604 VanDerWaalsContact C-N 3.28Å; L602-R604 PolarHBondContact O-N 3.48Å; R604-N671 PolarHBondContact NH1-OD1 2.7Å; R604-N671 VanDerWaalsContact NH1-OD1 3.13Å; R604-N671 PolarHBondContact NH2-ND2 3.3Å; R604-N671 PolarHBondContact NH2-OD1 2.7Å; R604-N671 VanDerWaalsContact NH2-OD1 3.11Å; R604-L685 PolarHBondContact NH1-O 3.32Å
605	D	83.2	Confident	87.8	Confident	65 Å²	65	28 Å²	28	35%	0.348	14%	0.135	S	C	.	.	H	α-helix	trans	-102.3	-15.4	-163.4	-61.5	-14.4	0	0	0	113.6	I601	I601-D605 WeakPolarHBondContact CG2-OD2 3.5Å; I601-D605 WeakPolarHBondContact O-CB 3.45Å; I601-D605 PolarHBondContact O-N 3.27Å
606	Y	84.4	Confident	87.6	Confident	30 Å²	30	26.4 Å²	26.4	12%	0.118	13%	0.127	C	C	.	.			trans	-135	151.3	-173.3	-61.6	-91	0	0	0	113.6	T45 L602 Y611 F620 L665	T45-Y606 HydrophobicContact CG2-CD1 4.36Å; T45-Y606 HydrophobicContact CG2-CE1 4.13Å; L602-Y606 HydrophobicContact CD2-CD2 3.76Å; L602-Y606 HydrophobicContact CD2-CE2 4.19Å; L602-Y606 HydrophobicContact CD2-CG 4.41Å; L602-Y606 WeakPolarHBondContact O-CA 3.48Å; L602-Y606 WeakPolarHBondContact O-CB 3.47Å; L602-Y606 PolarHBondContact O-N 2.89Å; L602-Y606 VanDerWaalsContact O-O 3.08Å; Y606-Y611 PolarHBondContact O-OH 3.32Å; Y606-F620 HydrophobicContact CD1-CE1 4.17Å; Y606-F620 AromaticContact CD1-CZ 3.72Å; Y606-F620 HydrophobicContact CD1-CZ 3.72Å; Y606-F620 AromaticContact CE1-CE1 3.99Å; Y606-F620 HydrophobicContact CE1-CE1 3.99Å; Y606-F620 AromaticContact CE1-CZ 3.89Å; Y606-F620 HydrophobicContact CE1-CZ 3.89Å; Y606-F620 HydrophobicContact CG-CZ 4.13Å; Y606-L665 HydrophobicContact CE2-CD1 4.15Å
607	K	78.7	Confident	87.5	Confident	86 Å²	86	26.3 Å²	26.3	37%	0.374	13%	0.127	S	C	.	.			trans	-114.7	78	178.1	-71.4	178.5	-170.7	160.8	0	111.7	D42 Y611 R985	D42-K607 IonicContact OD1-NZ 3.04Å; D42-K607 PolarHBondContact OD1-NZ 3.26Å; D42-K607 IonicContact OD2-NZ 3.96Å; K607-Y611 WeakPolarHBondContact CA-OH 3.27Å; K607-R985 VanDerWaalsContact C-NH1 3.26Å
608	L	82.2	Confident	87.1	Confident	18 Å²	18	32.7 Å²	32.7	9%	0.094	15%	0.151	C	C	.	.			trans	-91.8	164.4	-173.9	-54.2	178.9	0	0	0	113.3	S610 Y611 V616 F620 R985	L608-S610 WeakPolarHBondContact CB-O 3.39Å; L608-Y611 HydrophobicContact CB-CD1 4.44Å; L608-Y611 HydrophobicContact CB-CD2 4.29Å; L608-Y611 HydrophobicContact CB-CE1 4.08Å; L608-Y611 HydrophobicContact CB-CE2 3.91Å; L608-Y611 HydrophobicContact CD1-CD1 4.12Å; L608-Y611 HydrophobicContact CD1-CE1 4.06Å; L608-Y611 HydrophobicContact CG-CE1 4.07Å; L608-Y611 PolarHBondContact N-OH 3.13Å; L608-V616 HydrophobicContact CD1-CG2 3.8Å; L608-F620 HydrophobicContact CD1-CE2 3.95Å; L608-F620 HydrophobicContact CD1-CZ 4.34Å; L608-F620 HydrophobicContact CD2-CE2 4.46Å; L608-F620 HydrophobicContact CD2-CZ 4.14Å; L608-R985 VanDerWaalsContact O-CD 3.29Å; L608-R985 WeakPolarHBondContact O-CD 3.43Å; L608-R985 PolarHBondContact O-NH1 3.18Å
609	R	75.9	Confident	86.7	Confident	86 Å²	86	38.2 Å²	38.2	33%	0.325	18%	0.177	S	C	.	.	S	Bend	trans	-77.6	-39.1	172.7	-79.4	-171.8	-178.4	-99.4	-0.6	112.2	R984 R985 N987 R1072	R609-R984 PolarHBondContact NH2-O 2.82Å; R609-R985 HydrophobicContact CG-CG 4.11Å; R609-N987 PolarHBondContact NH1-O 3.1Å; R609-R1072 PolarHBondContact O-NH1 2.88Å
610	S	82.1	Confident	86.6	Confident	23 Å²	23	39.1 Å²	39.1	16%	0.161	18%	0.181	C	C	.	.			trans	-134.1	145.7	175.4	177.3	0	0	0	0	108.9	L608 T612 D1230	L608-S610 WeakPolarHBondContact CB-O 3.39Å; S610-T612 PolarHBondContact OG-N 3.3Å; S610-T612 PolarHBondContact OG-OG1 3.25Å; S610-D1230 VanDerWaalsContact CB-OD1 3.3Å; S610-D1230 WeakPolarHBondContact CB-OD1 3.42Å; S610-D1230 VanDerWaalsContact OG-CG 3.26Å; S610-D1230 PolarHBondContact OG-OD1 3.08Å; S610-D1230 PolarHBondContact OG-OD2 3.05Å
611	Y	88.2	Confident	86.6	Confident	41 Å²	41	39.3 Å²	39.3	16%	0.161	18%	0.182	C	C	.	.			trans	-120.7	32.8	175.7	-65.2	-101.3	0	0	0	109.7	Y535 L599 L602 F603 Y606 K607 L608	Y535-Y611 WeakPolarHBondContact CE1-O 3.49Å; Y535-Y611 VanDerWaalsContact OH-C 3.23Å; Y535-Y611 PolarHBondContact OH-O 2.75Å; L599-Y611 HydrophobicContact CD1-CD1 4.43Å; L602-Y611 HydrophobicContact CB-CD1 4.08Å; L602-Y611 HydrophobicContact CB-CE1 4.19Å; F603-Y611 AromaticContact CD1-CD1 3.74Å; F603-Y611 HydrophobicContact CD1-CD1 3.74Å; F603-Y611 HydrophobicContact CD1-CD2 4.27Å; F603-Y611 AromaticContact CD1-CE1 3.64Å; F603-Y611 HydrophobicContact CD1-CE1 3.64Å; F603-Y611 HydrophobicContact CD1-CE2 4.19Å; F603-Y611 HydrophobicContact CD1-CG 4.06Å; F603-Y611 AromaticContact CD1-CZ 3.87Å; F603-Y611 AromaticContact CE1-CD1 3.69Å; F603-Y611 HydrophobicContact CE1-CD1 3.69Å; F603-Y611 AromaticContact CE1-CD2 3.7Å; F603-Y611 HydrophobicContact CE1-CD2 3.7Å; F603-Y611 HydrophobicContact CE1-CE1 4.01Å; F603-Y611 HydrophobicContact CE1-CE2 4.01Å; F603-Y611 AromaticContact CE1-CG 3.53Å; F603-Y611 HydrophobicContact CE1-CG 3.53Å; F603-Y611 HydrophobicContact CZ-CG 4.29Å; Y606-Y611 PolarHBondContact O-OH 3.32Å; K607-Y611 WeakPolarHBondContact CA-OH 3.27Å; L608-Y611 HydrophobicContact CB-CD1 4.44Å; L608-Y611 HydrophobicContact CB-CD2 4.29Å; L608-Y611 HydrophobicContact CB-CE1 4.08Å; L608-Y611 HydrophobicContact CB-CE2 3.91Å; L608-Y611 HydrophobicContact CD1-CD1 4.12Å; L608-Y611 HydrophobicContact CD1-CE1 4.06Å; L608-Y611 HydrophobicContact CG-CE1 4.07Å; L608-Y611 PolarHBondContact N-OH 3.13Å
612	T	89.1	Confident	86.4	Confident	61 Å²	61	47.3 Å²	47.3	37%	0.374	22%	0.219	S	C	.	.	S	Bend	trans	-75.7	147	163.8	64.5	0	0	0	0	108.2	S610 N614 A615 V616 D1230	S610-T612 PolarHBondContact OG-N 3.3Å; S610-T612 PolarHBondContact OG-OG1 3.25Å; T612-N614 PolarHBondContact O-N 3.02Å; T612-A615 PolarHBondContact O-N 3.38Å; T612-A615 VanDerWaalsContact O-N 3.08Å; T612-A615 WeakPolarHBondContact OG1-CB 3.5Å; T612-A615 PolarHBondContact OG1-N 3.43Å; T612-A615 VanDerWaalsContact OG1-N 3.12Å; T612-V616 WeakPolarHBondContact O-CG2 3.35Å; T612-V616 PolarHBondContact O-N 3.29Å; T612-D1230 WeakPolarHBondContact CG2-OD2 3.43Å; T612-D1230 PolarHBondContact OG1-OD2 3.06Å
613	L	92.4	Very high	85.9	Confident	10 Å²	10	49.8 Å²	49.8	5%	0.052	23%	0.231	C	C	.	.	H	α-helix	trans	-53.7	-42.7	177.1	178.8	56.9	0	0	0	110.9	Y535 A615 V616 S617 D654 L657 L661	Y535-L613 HydrophobicContact CD1-CB 3.9Å; Y535-L613 HydrophobicContact CD2-CB 4.28Å; Y535-L613 HydrophobicContact CD2-CD1 3.63Å; Y535-L613 HydrophobicContact CD2-CG 4.44Å; Y535-L613 HydrophobicContact CE1-CB 3.98Å; Y535-L613 HydrophobicContact CE2-CB 4.34Å; Y535-L613 HydrophobicContact CE2-CD1 3.91Å; Y535-L613 HydrophobicContact CG-CB 4.04Å; Y535-L613 HydrophobicContact CG-CD1 4.04Å; Y535-L613 HydrophobicContact CG-CD2 4.46Å; Y535-L613 HydrophobicContact CG-CG 4.4Å; L613-A615 PolarHBondContact O-N 3.03Å; L613-V616 PolarHBondContact O-N 3.4Å; L613-S617 VanDerWaalsContact O-CB 3.31Å; L613-S617 WeakPolarHBondContact O-CB 3.33Å; L613-S617 PolarHBondContact O-N 2.94Å; L613-S617 PolarHBondContact O-OG 3.41Å; L613-D654 HydrophobicContact CD2-CB 4.13Å; L613-D654 WeakPolarHBondContact CD2-OD1 3.33Å; L613-L657 HydrophobicContact CD1-CB 3.98Å; L613-L657 HydrophobicContact CD2-CB 4.37Å; L613-L657 HydrophobicContact CD2-CD1 4.3Å; L613-L657 HydrophobicContact CG-CB 4.42Å; L613-L657 HydrophobicContact CG-CD1 4.22Å; L613-L661 HydrophobicContact CD1-CD1 3.86Å
614	N	89.1	Confident	85.6	Confident	6 Å²	6	51.2 Å²	51.2	3%	0.032	24%	0.238	C	C	.	.	H	α-helix	trans	-59.9	-46.4	176.6	-177.5	64.7	0	0	0	113.2	T612 Y618 K625 S1228	T612-N614 PolarHBondContact O-N 3.02Å; N614-Y618 WeakPolarHBondContact O-CB 3.47Å; N614-Y618 PolarHBondContact O-N 3.41Å; N614-K625 HydrophobicContact CB-CD 4.43Å; N614-K625 HydrophobicContact CB-CG 3.77Å; N614-K625 WeakPolarHBondContact OD1-CG 3.38Å; N614-K625 PolarHBondContact OD1-N 3.49Å; N614-K625 PolarHBondContact OD1-O 3.31Å; N614-S1228 PolarHBondContact ND2-OG 3.19Å
615	A	87.1	Confident	85.4	Confident	17 Å²	17	50.2 Å²	50.2	14%	0.14	24%	0.235	C	C	.	.	H	α-helix	trans	-66.8	-38.5	179.9	0	0	0	0	0	112.2	T612 L613 Y618 H619 D1230	T612-A615 PolarHBondContact O-N 3.38Å; T612-A615 VanDerWaalsContact O-N 3.08Å; T612-A615 WeakPolarHBondContact OG1-CB 3.5Å; T612-A615 PolarHBondContact OG1-N 3.43Å; T612-A615 VanDerWaalsContact OG1-N 3.12Å; L613-A615 PolarHBondContact O-N 3.03Å; A615-Y618 PolarHBondContact O-N 3.35Å; A615-H619 VanDerWaalsContact O-CB 3.29Å; A615-H619 WeakPolarHBondContact O-CB 3.44Å; A615-H619 PolarHBondContact O-N 3.03Å; A615-D1230 HydrophobicContact CB-CB 4.12Å
616	V	91.8	Very high	85.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-69.4	-44.3	178.4	172.5	0	0	0	0	111.1	Y535 L602 L608 T612 L613 Y618 H619 F620 L661	Y535-V616 WeakPolarHBondContact OH-CG2 3.45Å; L602-V616 HydrophobicContact CD1-CB 4.41Å; L602-V616 HydrophobicContact CD1-CG1 3.57Å; L602-V616 HydrophobicContact CD1-CG2 4.07Å; L602-V616 HydrophobicContact CD2-CG1 4.34Å; L608-V616 HydrophobicContact CD1-CG2 3.8Å; T612-V616 WeakPolarHBondContact O-CG2 3.35Å; T612-V616 PolarHBondContact O-N 3.29Å; L613-V616 PolarHBondContact O-N 3.4Å; V616-Y618 VanDerWaalsContact C-N 3.33Å; V616-Y618 PolarHBondContact O-N 2.91Å; V616-H619 PolarHBondContact O-N 2.88Å; V616-F620 HydrophobicContact CG1-CD2 3.63Å; V616-F620 HydrophobicContact CG1-CE2 3.87Å; V616-F620 WeakPolarHBondContact O-CD2 3.48Å; V616-F620 PolarHBondContact O-N 3.33Å; V616-L661 HydrophobicContact CG1-CD1 3.83Å; V616-L661 HydrophobicContact CG1-CD2 4.06Å
617	S	91.6	Very high	84.8	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.8	-43.6	173.5	-65.1	0	0	0	0	111.3	L613 H619 L621 E622 E623	L613-S617 VanDerWaalsContact O-CB 3.31Å; L613-S617 WeakPolarHBondContact O-CB 3.33Å; L613-S617 PolarHBondContact O-N 2.94Å; L613-S617 PolarHBondContact O-OG 3.41Å; S617-H619 VanDerWaalsContact C-N 3.33Å; S617-H619 PolarHBondContact O-N 2.94Å; S617-L621 CarbonylContact O-C 3.53Å; S617-L621 VanDerWaalsContact O-CA 3.31Å; S617-L621 WeakPolarHBondContact O-CA 3.29Å; S617-L621 VanDerWaalsContact O-CB 3.22Å; S617-L621 WeakPolarHBondContact O-CB 3.33Å; S617-L621 PolarHBondContact O-N 3.26Å; S617-E622 PolarHBondContact O-N 2.96Å; S617-E623 CarbonylContact C-O 3.52Å; S617-E623 WeakPolarHBondContact CB-O 3.38Å
618	Y	88.4	Confident	85	Confident	136 Å²	136	45.2 Å²	45.2	53%	0.533	21%	0.214	S	C	.	.	H	α-helix	trans	-63.4	-41.4	175.9	179	-109.2	0	0	0	111.8	N614 A615 V616 E622 E623 Q624	N614-Y618 WeakPolarHBondContact O-CB 3.47Å; N614-Y618 PolarHBondContact O-N 3.41Å; A615-Y618 PolarHBondContact O-N 3.35Å; V616-Y618 VanDerWaalsContact C-N 3.33Å; V616-Y618 PolarHBondContact O-N 2.91Å; Y618-E622 VanDerWaalsContact O-CA 3.3Å; Y618-E622 WeakPolarHBondContact O-CA 3.45Å; Y618-E622 PolarHBondContact O-N 3.37Å; Y618-E623 VanDerWaalsContact CA-O 3.23Å; Y618-E623 WeakPolarHBondContact CA-O 3.45Å; Y618-E623 PolarHBondContact N-O 3.08Å; Y618-Q624 HydrophobicContact CD2-CG 3.6Å; Y618-Q624 HydrophobicContact CE2-CG 4.35Å; Y618-Q624 HydrophobicContact CG-CG 4.21Å
619	H	87.1	Confident	84.9	Confident	116 Å²	116	46.4 Å²	46.4	54%	0.537	22%	0.219	S	C	.	.	H	α-helix	trans	-67.7	-41.1	-177.8	-175.1	60.3	0	0	0	113.5	A615 V616 S617	A615-H619 VanDerWaalsContact O-CB 3.29Å; A615-H619 WeakPolarHBondContact O-CB 3.44Å; A615-H619 PolarHBondContact O-N 3.03Å; V616-H619 PolarHBondContact O-N 2.88Å; S617-H619 VanDerWaalsContact C-N 3.33Å; S617-H619 PolarHBondContact O-N 2.94Å
620	F	89.4	Confident	84.9	Confident	35 Å²	35	43.6 Å²	43.6	15%	0.154	21%	0.209	C	C	.	.	H	α-helix	trans	-103.8	-27.4	-173.3	-65.4	-64.9	0	0	0	114.9	L602 Y606 L608 V616 L661 K664 L665	L602-F620 HydrophobicContact CD2-CE2 3.95Å; Y606-F620 HydrophobicContact CD1-CE1 4.17Å; Y606-F620 AromaticContact CD1-CZ 3.72Å; Y606-F620 HydrophobicContact CD1-CZ 3.72Å; Y606-F620 AromaticContact CE1-CE1 3.99Å; Y606-F620 HydrophobicContact CE1-CE1 3.99Å; Y606-F620 AromaticContact CE1-CZ 3.89Å; Y606-F620 HydrophobicContact CE1-CZ 3.89Å; Y606-F620 HydrophobicContact CG-CZ 4.13Å; L608-F620 HydrophobicContact CD1-CE2 3.95Å; L608-F620 HydrophobicContact CD1-CZ 4.34Å; L608-F620 HydrophobicContact CD2-CE2 4.46Å; L608-F620 HydrophobicContact CD2-CZ 4.14Å; V616-F620 HydrophobicContact CG1-CD2 3.63Å; V616-F620 HydrophobicContact CG1-CE2 3.87Å; V616-F620 WeakPolarHBondContact O-CD2 3.48Å; V616-F620 PolarHBondContact O-N 3.33Å; F620-L661 HydrophobicContact CB-CD2 3.82Å; F620-L661 HydrophobicContact CD2-CD2 4.14Å; F620-L661 HydrophobicContact CG-CD2 4.42Å; F620-K664 WeakPolarHBondContact O-CE 3.38Å; F620-L665 HydrophobicContact CB-CD2 4.5Å; F620-L665 HydrophobicContact CD1-CD2 3.65Å; F620-L665 HydrophobicContact CD2-CD1 4.33Å; F620-L665 HydrophobicContact CD2-CD2 4.4Å; F620-L665 HydrophobicContact CE1-CD2 3.8Å; F620-L665 HydrophobicContact CE2-CD1 4.26Å; F620-L665 HydrophobicContact CG-CD2 3.96Å; F620-L665 HydrophobicContact CZ-CD2 4.24Å
621	L	89.5	Confident	84.8	Confident	26 Å²	26	45 Å²	45	14%	0.136	22%	0.215	C	C	.	.	H	α-helix	trans	-109	-9.6	-178.2	-53.2	178.8	0	0	0	113	S617 E623 L657 R660 L661 K664	S617-L621 CarbonylContact O-C 3.53Å; S617-L621 VanDerWaalsContact O-CA 3.31Å; S617-L621 WeakPolarHBondContact O-CA 3.29Å; S617-L621 VanDerWaalsContact O-CB 3.22Å; S617-L621 WeakPolarHBondContact O-CB 3.33Å; S617-L621 PolarHBondContact O-N 3.26Å; L621-E623 HydrophobicContact CB-CB 4.17Å; L621-E623 HydrophobicContact CB-CG 4.32Å; L621-E623 PolarHBondContact O-N 3.25Å; L621-E623 VanDerWaalsContact O-N 3.16Å; L621-L657 HydrophobicContact CD1-CD2 3.97Å; L621-R660 HydrophobicContact CD1-CB 3.99Å; L621-L661 HydrophobicContact CD1-CD2 4.03Å; L621-L661 HydrophobicContact CD1-CG 4.03Å; L621-L661 HydrophobicContact CD2-CD2 4.24Å; L621-L661 HydrophobicContact CG-CD2 3.83Å; L621-L661 HydrophobicContact CG-CG 4.37Å; L621-K664 HydrophobicContact CD2-CB 3.91Å; L621-K664 HydrophobicContact CD2-CG 3.94Å
622	E	84.5	Confident	84.6	Confident	172 Å²	172	45 Å²	45	80%	0.804	22%	0.219	S	C	*	.	S	Bend	trans	57.1	21.9	-169.7	-56.2	-175.8	172.2	0	0	113	S617 Y618	S617-E622 PolarHBondContact O-N 2.96Å; Y618-E622 VanDerWaalsContact O-CA 3.3Å; Y618-E622 WeakPolarHBondContact O-CA 3.45Å; Y618-E622 PolarHBondContact O-N 3.37Å
623	E	81.1	Confident	84.7	Confident	51 Å²	51	42.6 Å²	42.6	24%	0.238	20%	0.204	C	C	.	.			trans	-111.6	135.2	179.6	-71.5	-178.8	-153.3	0	0	110.4	S617 Y618 L621 K653 R660	S617-E623 CarbonylContact C-O 3.52Å; S617-E623 WeakPolarHBondContact CB-O 3.38Å; Y618-E623 VanDerWaalsContact CA-O 3.23Å; Y618-E623 WeakPolarHBondContact CA-O 3.45Å; Y618-E623 PolarHBondContact N-O 3.08Å; L621-E623 HydrophobicContact CB-CB 4.17Å; L621-E623 HydrophobicContact CB-CG 4.32Å; L621-E623 PolarHBondContact O-N 3.25Å; L621-E623 VanDerWaalsContact O-N 3.16Å; E623-K653 IonicContact OE2-NZ 2.75Å; E623-K653 PolarHBondContact OE2-NZ 3.48Å; E623-R660 IonicContact OE1-CZ 3.98Å; E623-R660 IonicContact OE1-NH1 3.64Å; E623-R660 PolarHBondContact OE1-NH1 3.15Å; E623-R660 IonicContact OE1-NH2 2.94Å; E623-R660 PolarHBondContact OE1-NH2 3.37Å; E623-R660 IonicContact OE2-NH1 3.65Å; E623-R660 PolarHBondContact OE2-NH1 2.97Å
624	Q	78.1	Confident	84.7	Confident	58 Å²	58	43.1 Å²	43.1	27%	0.271	21%	0.208	S	C	.	.			trans	-103.7	159	171.4	-65.3	-175.1	-32.9	0	0	110.1	Y618 C1216	Y618-Q624 HydrophobicContact CD2-CG 3.6Å; Y618-Q624 HydrophobicContact CE2-CG 4.35Å; Y618-Q624 HydrophobicContact CG-CG 4.21Å; Q624-C1216 WeakPolarHBondContact CB-SG 3.39Å
625	K	80.5	Confident	84.9	Confident	17 Å²	17	46.9 Å²	46.9	7%	0.074	23%	0.228	C	C	.	.			trans	-117.8	157	169.6	65.7	164.2	-172.5	159.6	0	111.2	N614 D627 Y650 D654 L657	N614-K625 HydrophobicContact CB-CD 4.43Å; N614-K625 HydrophobicContact CB-CG 3.77Å; N614-K625 WeakPolarHBondContact OD1-CG 3.38Å; N614-K625 PolarHBondContact OD1-N 3.49Å; N614-K625 PolarHBondContact OD1-O 3.31Å; K625-D627 PolarHBondContact O-N 3.32Å; K625-Y650 HydrophobicContact CD-CE2 4.38Å; K625-Y650 PolarHBondContact NZ-OH 3.31Å; K625-D654 WeakPolarHBondContact CD-OD1 3.23Å; K625-D654 WeakPolarHBondContact CE-OD1 3.5Å; K625-D654 IonicContact NZ-OD1 3.61Å; K625-D654 PolarHBondContact NZ-OD1 3.37Å; K625-D654 IonicContact NZ-OD2 2.89Å; K625-D654 PolarHBondContact NZ-OD2 3.45Å; K625-L657 HydrophobicContact CB-CD1 4.32Å; K625-L657 HydrophobicContact CD-CD1 4.25Å
626	E	76.7	Confident	85.1	Confident	26 Å²	26	47 Å²	47	12%	0.121	23%	0.226	C	C	.	.			trans	-65	123.3	162.3	179.4	170.9	-143	0	0	108.4	V628 R646 Y650 I1225 C1226	E626-V628 HydrophobicContact CG-CG2 4.18Å; E626-R646 IonicContact OE1-CZ 3Å; E626-R646 IonicContact OE1-NH2 3.62Å; E626-R646 PolarHBondContact OE1-NH2 2.84Å; E626-R646 IonicContact OE2-NE 3.64Å; E626-R646 IonicContact OE2-NH2 3.88Å; E626-Y650 WeakPolarHBondContact O-CD2 3.41Å; E626-Y650 WeakPolarHBondContact O-CE2 3.33Å; E626-I1225 WeakPolarHBondContact OE1-CG1 3.5Å; E626-C1226 HydrophobicContact CG-CB 4.39Å
627	D	77.9	Confident	85.3	Confident	40 Å²	40	47.2 Å²	47.2	21%	0.214	23%	0.227	C	C	.	.			trans	-98.4	104.8	179.3	-174.5	52.2	0	0	0	109.6	K625 C1226 T1227 S1228	K625-D627 PolarHBondContact O-N 3.32Å; D627-C1226 CarbonylContact O-C 3.54Å; D627-C1226 VanDerWaalsContact O-CA 3.29Å; D627-C1226 WeakPolarHBondContact O-CA 3.35Å; D627-T1227 PolarHBondContact O-N 3.03Å; D627-T1227 PolarHBondContact O-OG1 2.88Å; D627-T1227 PolarHBondContact OD2-OG1 3.23Å; D627-S1228 WeakPolarHBondContact OD2-CA 3.44Å; D627-S1228 PolarHBondContact OD2-N 2.89Å
628	V	82.5	Confident	85.4	Confident	11 Å²	11	53 Å²	53	7%	0.067	26%	0.258	C	S	.	.			trans	-89.3	118.8	-176.1	-177.9	0	0	0	0	110	E626 V632 I633 L636 Y650 I1225	E626-V628 HydrophobicContact CG-CG2 4.18Å; V628-V632 HydrophobicContact CG1-CB 4.42Å; V628-I633 HydrophobicContact CG1-CG1 4.15Å; V628-L636 HydrophobicContact CG1-CD1 4.27Å; V628-Y650 HydrophobicContact CB-CD1 4.44Å; V628-Y650 HydrophobicContact CB-CD2 4.44Å; V628-Y650 HydrophobicContact CB-CE1 4.22Å; V628-Y650 HydrophobicContact CB-CE2 4.28Å; V628-Y650 HydrophobicContact CG2-CD1 4.29Å; V628-Y650 HydrophobicContact CG2-CD2 3.79Å; V628-Y650 HydrophobicContact CG2-CE1 4.48Å; V628-Y650 HydrophobicContact CG2-CE2 4.05Å; V628-Y650 HydrophobicContact CG2-CG 3.95Å; V628-I1225 HydrophobicContact CG1-CD1 4.1Å; V628-I1225 HydrophobicContact CG2-CD1 4.16Å
629	H	79.7	Confident	85.7	Confident	42 Å²	42	48.2 Å²	48.2	19%	0.194	25%	0.249	C	C	.	.			trans	-67.2	139.3	177.5	-162.2	-91.6	0	0	0	111.7	N631 V632 T1227	H629-N631 PolarHBondContact CE1-ND2 3.33Å; H629-N631 PolarHBondContact ND1-N 2.72Å; H629-N631 PolarHBondContact O-N 2.73Å; H629-V632 HydrophobicContact CB-CG2 4.45Å; H629-V632 PolarHBondContact O-N 2.79Å; H629-T1227 HydrophobicContact CB-CG2 3.74Å; H629-T1227 WeakPolarHBondContact CB-OG1 3.3Å
630	H	77.1	Confident	86	Confident	27 Å²	27	47 Å²	47	13%	0.125	25%	0.247	C	C	.	.	H	α-helix	trans	-55.9	-29.5	-175.2	70.3	90.4	0	0	0	114.8	V632 I633	H630-V632 VanDerWaalsContact C-N 3.28Å; H630-V632 PolarHBondContact O-N 3.31Å; H630-I633 HydrophobicContact CB-CD1 4.26Å; H630-I633 WeakPolarHBondContact O-CB 3.12Å; H630-I633 PolarHBondContact O-N 2.78Å
631	N	78.8	Confident	86.3	Confident	52 Å²	52	46.8 Å²	46.8	28%	0.278	25%	0.252	S	S	.	.	H	α-helix	trans	-65.5	-27.4	176.3	-72.4	-31.7	0	0	0	113.6	G463 H629	G463-N631 PolarHBondContact N-OD1 3.3Å; H629-N631 PolarHBondContact CE1-ND2 3.33Å; H629-N631 PolarHBondContact ND1-N 2.72Å; H629-N631 PolarHBondContact O-N 2.73Å
632	V	85.2	Confident	86.5	Confident	43 Å²	43	49.8 Å²	49.8	26%	0.261	27%	0.265	S	S	.	.	H	α-helix	trans	-86.3	-25.2	-177.5	-175.3	0	0	0	0	111.5	V628 H629 H630 T634 D635 L636 I1225	V628-V632 HydrophobicContact CG1-CB 4.42Å; H629-V632 HydrophobicContact CB-CG2 4.45Å; H629-V632 PolarHBondContact O-N 2.79Å; H630-V632 VanDerWaalsContact C-N 3.28Å; H630-V632 PolarHBondContact O-N 3.31Å; V632-T634 PolarHBondContact O-N 2.91Å; V632-D635 PolarHBondContact O-N 3.02Å; V632-L636 HydrophobicContact CG1-CD1 4.14Å; V632-L636 HydrophobicContact CG1-CG 4.1Å; V632-L636 PolarHBondContact O-N 2.97Å; V632-I1225 HydrophobicContact CG1-CD1 4Å
633	I	90.6	Very high	86.9	Confident	10 Å²	10	43.4 Å²	43.4	5%	0.051	24%	0.238	C	C	.	.	H	α-helix	trans	-52.2	-43.9	179.9	-64	175.6	0	0	0	111.5	E457 I474 V628 H630 L636 Q637 L647	E457-I633 VanDerWaalsContact OE2-CD1 3.24Å; E457-I633 WeakPolarHBondContact OE2-CD1 3.26Å; I474-I633 HydrophobicContact CD1-CG2 3.63Å; V628-I633 HydrophobicContact CG1-CG1 4.15Å; H630-I633 HydrophobicContact CB-CD1 4.26Å; H630-I633 WeakPolarHBondContact O-CB 3.12Å; H630-I633 PolarHBondContact O-N 2.78Å; I633-L636 PolarHBondContact O-N 2.63Å; I633-Q637 WeakPolarHBondContact O-CB 3.44Å; I633-Q637 PolarHBondContact O-N 2.86Å; I633-L647 HydrophobicContact CG1-CD1 4.22Å; I633-L647 HydrophobicContact CG2-CD1 4.15Å; I633-L647 HydrophobicContact CG2-CD2 3.94Å
634	T	92.1	Very high	87.6	Confident	21 Å²	21	41.9 Å²	41.9	13%	0.129	23%	0.23	C	C	.	.	H	α-helix	trans	-70.8	-35.1	-177.2	-55.7	0	0	0	0	112	A459 S460 V632 Q637 N638	A459-T634 HydrophobicContact CB-CG2 4.31Å; S460-T634 PolarHBondContact N-OG1 3.45Å; S460-T634 PolarHBondContact O-OG1 2.93Å; V632-T634 PolarHBondContact O-N 2.91Å; T634-Q637 PolarHBondContact O-N 2.86Å; T634-N638 WeakPolarHBondContact O-CB 3.21Å; T634-N638 VanDerWaalsContact O-CG 3.23Å; T634-N638 PolarHBondContact O-N 3.22Å; T634-N638 VanDerWaalsContact O-N 3.08Å; T634-N638 PolarHBondContact O-ND2 3.19Å
635	D	92.2	Very high	88.3	Confident	85 Å²	85	40.2 Å²	40.2	46%	0.455	22%	0.221	S	C	.	.	H	α-helix	trans	-69.3	-40.8	176.1	-66.2	-23.6	0	0	0	110.2	K462 V632 N638 G639	K462-D635 IonicContact NZ-OD1 2.73Å; V632-D635 PolarHBondContact O-N 3.02Å; D635-N638 PolarHBondContact O-N 3.34Å; D635-G639 PolarHBondContact O-N 3.37Å
636	L	92.5	Very high	88.8	Confident	18 Å²	18	40.8 Å²	40.8	9%	0.094	22%	0.223	C	C	.	.	H	α-helix	trans	-64.1	-40.3	173	-69.9	172.9	0	0	0	112.5	V628 V632 I633 N638 G639 T643 L647 I1225	V628-L636 HydrophobicContact CG1-CD1 4.27Å; V632-L636 HydrophobicContact CG1-CD1 4.14Å; V632-L636 HydrophobicContact CG1-CG 4.1Å; V632-L636 PolarHBondContact O-N 2.97Å; I633-L636 PolarHBondContact O-N 2.63Å; L636-N638 VanDerWaalsContact C-N 3.34Å; L636-N638 PolarHBondContact O-N 3.24Å; L636-G639 PolarHBondContact O-N 3.07Å; L636-T643 HydrophobicContact CD2-CG2 4.43Å; L636-T643 WeakPolarHBondContact O-CB 3.45Å; L636-T643 PolarHBondContact O-OG1 2.64Å; L636-L647 HydrophobicContact CD1-CD1 4.49Å; L636-I1225 HydrophobicContact CD1-CD1 4.13Å
637	Q	95.2	Very high	89.6	Confident	6 Å²	6	39.6 Å²	39.6	3%	0.028	22%	0.217	C	C	.	.	H	α-helix	trans	-63.9	-40.7	177.5	176.6	59.3	16.7	0	0	112.3	I474 L496 I633 T634 G639 R644	I474-Q637 HydrophobicContact CB-CG 4.24Å; I474-Q637 HydrophobicContact CD1-CB 3.74Å; I474-Q637 HydrophobicContact CD1-CG 3.89Å; I474-Q637 HydrophobicContact CG2-CG 3.95Å; L496-Q637 PolarHBondContact O-NE2 2.84Å; I633-Q637 WeakPolarHBondContact O-CB 3.44Å; I633-Q637 PolarHBondContact O-N 2.86Å; T634-Q637 PolarHBondContact O-N 2.86Å; Q637-G639 VanDerWaalsContact C-N 3.27Å; Q637-G639 PolarHBondContact O-N 2.93Å; Q637-R644 WeakPolarHBondContact O-CD 3.48Å; Q637-R644 PolarHBondContact O-NH1 2.76Å; Q637-R644 VanDerWaalsContact OE1-CD 3.28Å
638	N	94.5	Very high	90.4	Very high	121 Å²	121	37.7 Å²	37.7	65%	0.647	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-4.9	-177.8	-69.7	-32.1	0	0	0	113.9	T634 D635 L636	T634-N638 WeakPolarHBondContact O-CB 3.21Å; T634-N638 VanDerWaalsContact O-CG 3.23Å; T634-N638 PolarHBondContact O-N 3.22Å; T634-N638 VanDerWaalsContact O-N 3.08Å; T634-N638 PolarHBondContact O-ND2 3.19Å; D635-N638 PolarHBondContact O-N 3.34Å; L636-N638 VanDerWaalsContact C-N 3.34Å; L636-N638 PolarHBondContact O-N 3.24Å
639	G	93.6	Very high	90.9	Very high	35 Å²	35	38.3 Å²	38.3	36%	0.361	21%	0.211	S	C	.	.	S	Bend	trans	-75	-146.4	173.8	0	0	0	0	0	113	D635 L636 Q637 T643 R644	D635-G639 PolarHBondContact O-N 3.37Å; L636-G639 PolarHBondContact O-N 3.07Å; Q637-G639 VanDerWaalsContact C-N 3.27Å; Q637-G639 PolarHBondContact O-N 2.93Å; G639-T643 VanDerWaalsContact CA-OG1 3.3Å; G639-T643 WeakPolarHBondContact CA-OG1 3.39Å; G639-R644 PolarHBondContact O-NH1 3.05Å
640	D	95.1	Very high	91.5	Very high	91 Å²	91	37.6 Å²	37.6	49%	0.487	21%	0.206	S	C	.	.			trans	-94.4	-172.9	178.2	62.9	27.3	0	0	0	113.1	Q642 T643 R644	D640-Q642 PolarHBondContact O-N 3.28Å; D640-Q642 WeakPolarHBondContact OD1-CA 3.35Å; D640-Q642 WeakPolarHBondContact OD1-CB 3.3Å; D640-Q642 PolarHBondContact OD1-N 2.81Å; D640-T643 PolarHBondContact N-OG1 3.02Å; D640-T643 PolarHBondContact O-N 2.96Å; D640-T643 PolarHBondContact O-OG1 2.86Å; D640-T643 PolarHBondContact OD1-N 3.41Å; D640-T643 PolarHBondContact OD1-OG1 3.47Å; D640-R644 PolarHBondContact O-N 3.18Å
641	A	95.5	Very high	92.3	Very high	30 Å²	30	36.3 Å²	36.3	25%	0.248	20%	0.2	C	C	.	.	H	α-helix	trans	-63.4	-26.4	178.6	0	0	0	0	0	113.5	A500 R645	A500-A641 HydrophobicContact CB-CB 4.22Å; A500-A641 WeakPolarHBondContact CB-O 3.34Å; A500-A641 PolarHBondContact N-O 2.84Å; A641-R645 WeakPolarHBondContact O-CB 3.4Å; A641-R645 PolarHBondContact O-N 3.12Å
642	Q	93.5	Very high	93.1	Very high	90 Å²	90	33.8 Å²	33.8	42%	0.421	19%	0.187	S	C	.	.	H	α-helix	trans	-78.3	-41.3	179.5	-67	-64	-14.8	0	0	111.5	A500 D640 R644 R645 R646	A500-Q642 HydrophobicContact CB-CG 4.47Å; D640-Q642 PolarHBondContact O-N 3.28Å; D640-Q642 WeakPolarHBondContact OD1-CA 3.35Å; D640-Q642 WeakPolarHBondContact OD1-CB 3.3Å; D640-Q642 PolarHBondContact OD1-N 2.81Å; Q642-R644 VanDerWaalsContact C-N 3.33Å; Q642-R644 PolarHBondContact O-N 3.1Å; Q642-R645 WeakPolarHBondContact O-CA 3.28Å; Q642-R645 WeakPolarHBondContact O-CB 3.45Å; Q642-R645 PolarHBondContact O-N 3.35Å; Q642-R645 VanDerWaalsContact O-N 3.12Å; Q642-R646 PolarHBondContact O-N 2.86Å
643	T	92.5	Very high	93.5	Very high	38 Å²	38	32.8 Å²	32.8	23%	0.233	18%	0.179	C	C	.	.	H	α-helix	trans	-62.2	-39.5	174	55.9	0	0	0	0	112.2	L636 G639 D640 R646 L647	L636-T643 HydrophobicContact CD2-CG2 4.43Å; L636-T643 WeakPolarHBondContact O-CB 3.45Å; L636-T643 PolarHBondContact O-OG1 2.64Å; G639-T643 VanDerWaalsContact CA-OG1 3.3Å; G639-T643 WeakPolarHBondContact CA-OG1 3.39Å; D640-T643 PolarHBondContact N-OG1 3.02Å; D640-T643 PolarHBondContact O-N 2.96Å; D640-T643 PolarHBondContact O-OG1 2.86Å; D640-T643 PolarHBondContact OD1-N 3.41Å; D640-T643 PolarHBondContact OD1-OG1 3.47Å; T643-R646 PolarHBondContact O-N 2.98Å; T643-L647 PolarHBondContact O-N 3.31Å
644	R	95.4	Very high	93.7	Very high	18 Å²	18	32.7 Å²	32.7	7%	0.068	18%	0.179	C	C	.	.	H	α-helix	trans	-67.2	-34.1	171.3	-74.9	-171.8	-67.8	-77.7	-6.2	113.2	Q475 T498 C499 Q637 G639 D640 Q642 L647 A648	Q475-R644 PolarHBondContact NE2-O 3.4Å; T498-R644 VanDerWaalsContact O-CZ 3.22Å; T498-R644 PolarHBondContact O-NE 2.7Å; T498-R644 PolarHBondContact O-NH2 2.96Å; T498-R644 PolarHBondContact OG1-NH2 3.2Å; C499-R644 HydrophobicContact CB-CB 4.46Å; Q637-R644 WeakPolarHBondContact O-CD 3.48Å; Q637-R644 PolarHBondContact O-NH1 2.76Å; Q637-R644 VanDerWaalsContact OE1-CD 3.28Å; G639-R644 PolarHBondContact O-NH1 3.05Å; D640-R644 PolarHBondContact O-N 3.18Å; Q642-R644 VanDerWaalsContact C-N 3.33Å; Q642-R644 PolarHBondContact O-N 3.1Å; R644-L647 PolarHBondContact O-N 3.43Å; R644-A648 WeakPolarHBondContact O-CB 3.45Å; R644-A648 PolarHBondContact O-N 3.13Å
645	R	94.3	Very high	93.9	Very high	23 Å²	23	31.7 Å²	31.7	9%	0.087	17%	0.173	C	C	.	.	H	α-helix	trans	-61.1	-45.1	172.1	177.1	-174.2	168.9	-88.8	8.4	111.6	E146 C499 A500 P501 I502 A641 Q642 L647 A648 V649	E146-R645 IonicContact OE1-CZ 2.71Å; E146-R645 VanDerWaalsContact OE1-CZ 3.3Å; E146-R645 IonicContact OE1-NE 3.76Å; E146-R645 IonicContact OE1-NH2 3.66Å; E146-R645 PolarHBondContact OE1-NH2 3.44Å; E146-R645 IonicContact OE2-NH2 2.93Å; E146-R645 PolarHBondContact OE2-NH2 3.25Å; E146-R645 VanDerWaalsContact OE2-NH2 3.07Å; C499-R645 WeakPolarHBondContact SG-CA 3.45Å; A500-R645 HydrophobicContact CB-CB 3.93Å; A500-R645 HydrophobicContact CB-CG 4.35Å; P501-R645 VanDerWaalsContact O-CD 3.3Å; P501-R645 WeakPolarHBondContact O-CD 3.3Å; P501-R645 PolarHBondContact O-NE 3.2Å; I502-R645 HydrophobicContact CD1-CG 4.32Å; I502-R645 HydrophobicContact CG1-CG 3.72Å; A641-R645 WeakPolarHBondContact O-CB 3.4Å; A641-R645 PolarHBondContact O-N 3.12Å; Q642-R645 WeakPolarHBondContact O-CA 3.28Å; Q642-R645 WeakPolarHBondContact O-CB 3.45Å; Q642-R645 PolarHBondContact O-N 3.35Å; Q642-R645 VanDerWaalsContact O-N 3.12Å; R645-L647 VanDerWaalsContact C-N 3.32Å; R645-L647 PolarHBondContact O-N 3.14Å; R645-A648 PolarHBondContact O-N 3.44Å; R645-A648 VanDerWaalsContact O-N 3.09Å; R645-V649 HydrophobicContact CG-CG2 4.48Å; R645-V649 WeakPolarHBondContact O-CG2 3.19Å; R645-V649 PolarHBondContact O-N 3.07Å
646	R	90.8	Very high	94.1	Very high	30 Å²	30	28.3 Å²	28.3	11%	0.113	15%	0.154	C	C	.	.	H	α-helix	trans	-58	-44.8	176.2	-176.9	174.5	176	179.8	1.6	111.8	E626 Q642 T643 A648 V649 Y650 E1222 E1223	E626-R646 IonicContact OE1-CZ 3Å; E626-R646 IonicContact OE1-NH2 3.62Å; E626-R646 PolarHBondContact OE1-NH2 2.84Å; E626-R646 IonicContact OE2-NE 3.64Å; E626-R646 IonicContact OE2-NH2 3.88Å; Q642-R646 PolarHBondContact O-N 2.86Å; T643-R646 PolarHBondContact O-N 2.98Å; R646-A648 VanDerWaalsContact C-N 3.32Å; R646-A648 PolarHBondContact O-N 2.81Å; R646-V649 PolarHBondContact O-N 3.21Å; R646-Y650 PolarHBondContact O-N 3.33Å; R646-Y650 VanDerWaalsContact O-N 3.1Å; R646-E1222 WeakPolarHBondContact CD-OE2 3.14Å; R646-E1222 IonicContact CZ-OE2 2.77Å; R646-E1222 IonicContact NE-OE2 2.76Å; R646-E1222 PolarHBondContact NE-OE2 2.85Å; R646-E1222 IonicContact NH1-OE2 3.6Å; R646-E1222 IonicContact NH2-OE2 3.53Å; R646-E1223 PolarHBondContact NH1-O 3.24Å; R646-E1223 PolarHBondContact NH2-O 3.14Å
647	L	92.8	Very high	94.2	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-62.7	-38.9	174.8	-171.6	68.6	0	0	0	112.2	E457 I474 Q475 I633 L636 T643 R644 R645 Y650 C651	E457-L647 HydrophobicContact CB-CD2 4.34Å; E457-L647 HydrophobicContact CG-CD1 4.21Å; E457-L647 HydrophobicContact CG-CG 4.29Å; I474-L647 HydrophobicContact CD1-CD2 3.42Å; I474-L647 VanDerWaalsContact CD1-CD2 3.42Å; I474-L647 HydrophobicContact CG1-CD2 4.38Å; Q475-L647 HydrophobicContact CG-CD2 4.39Å; Q475-L647 VanDerWaalsContact OE1-CG 3.3Å; Q475-L647 PolarHBondContact OE1-O 2.69Å; I633-L647 HydrophobicContact CG1-CD1 4.22Å; I633-L647 HydrophobicContact CG2-CD1 4.15Å; I633-L647 HydrophobicContact CG2-CD2 3.94Å; L636-L647 HydrophobicContact CD1-CD1 4.49Å; T643-L647 PolarHBondContact O-N 3.31Å; R644-L647 PolarHBondContact O-N 3.43Å; R645-L647 VanDerWaalsContact C-N 3.32Å; R645-L647 PolarHBondContact O-N 3.14Å; L647-Y650 HydrophobicContact CD1-CD1 4.21Å; L647-Y650 WeakPolarHBondContact O-CB 3.4Å; L647-Y650 PolarHBondContact O-N 3.49Å; L647-C651 PolarHBondContact O-N 3.22Å
648	A	95.1	Very high	94.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-69.2	-36.9	179.5	0	0	0	0	0	112.6	V493 T495 I502 R644 R645 R646 Y650 C651 L652	V493-A648 HydrophobicContact CG1-CB 4.07Å; V493-A648 HydrophobicContact CG2-CB 4.02Å; T495-A648 HydrophobicContact CG2-CB 4.37Å; I502-A648 HydrophobicContact CD1-CB 3.58Å; R644-A648 WeakPolarHBondContact O-CB 3.45Å; R644-A648 PolarHBondContact O-N 3.13Å; R645-A648 PolarHBondContact O-N 3.44Å; R645-A648 VanDerWaalsContact O-N 3.09Å; R646-A648 VanDerWaalsContact C-N 3.32Å; R646-A648 PolarHBondContact O-N 2.81Å; A648-Y650 VanDerWaalsContact C-N 3.33Å; A648-C651 PolarHBondContact O-N 2.88Å; A648-L652 WeakPolarHBondContact O-CB 3.29Å; A648-L652 WeakPolarHBondContact O-CD1 3.4Å; A648-L652 VanDerWaalsContact O-CG 3.25Å; A648-L652 WeakPolarHBondContact O-CG 3.42Å; A648-L652 PolarHBondContact O-N 3.2Å
649	V	92.7	Very high	94.4	Very high	23 Å²	23	22.1 Å²	22.1	14%	0.139	12%	0.121	C	C	.	.	H	α-helix	trans	-63.4	-41.4	172	173.4	0	0	0	0	110.7	F145 I502 R645 R646 L652 K653	F145-V649 HydrophobicContact CD1-CG1 3.99Å; F145-V649 HydrophobicContact CE1-CG1 4.39Å; I502-V649 HydrophobicContact CD1-CG2 3.88Å; I502-V649 HydrophobicContact CG1-CG2 4.06Å; I502-V649 HydrophobicContact CG2-CG2 4.06Å; R645-V649 HydrophobicContact CG-CG2 4.48Å; R645-V649 WeakPolarHBondContact O-CG2 3.19Å; R645-V649 PolarHBondContact O-N 3.07Å; R646-V649 PolarHBondContact O-N 3.21Å; V649-L652 PolarHBondContact O-N 3.43Å; V649-K653 PolarHBondContact O-N 2.99Å
650	Y	91	Very high	94.4	Very high	27 Å²	27	23.7 Å²	23.7	11%	0.106	12%	0.116	C	C	.	.	H	α-helix	trans	-59.5	-52.2	174	168.3	-102.8	0	0	0	111.7	E457 K625 E626 V628 R646 L647 A648 L652 K653 D654	E457-Y650 WeakPolarHBondContact OE1-CE1 3.48Å; K625-Y650 HydrophobicContact CD-CE2 4.38Å; K625-Y650 PolarHBondContact NZ-OH 3.31Å; E626-Y650 WeakPolarHBondContact O-CD2 3.41Å; E626-Y650 WeakPolarHBondContact O-CE2 3.33Å; V628-Y650 HydrophobicContact CB-CD1 4.44Å; V628-Y650 HydrophobicContact CB-CD2 4.44Å; V628-Y650 HydrophobicContact CB-CE1 4.22Å; V628-Y650 HydrophobicContact CB-CE2 4.28Å; V628-Y650 HydrophobicContact CG2-CD1 4.29Å; V628-Y650 HydrophobicContact CG2-CD2 3.79Å; V628-Y650 HydrophobicContact CG2-CE1 4.48Å; V628-Y650 HydrophobicContact CG2-CE2 4.05Å; V628-Y650 HydrophobicContact CG2-CG 3.95Å; R646-Y650 PolarHBondContact O-N 3.33Å; R646-Y650 VanDerWaalsContact O-N 3.1Å; L647-Y650 HydrophobicContact CD1-CD1 4.21Å; L647-Y650 WeakPolarHBondContact O-CB 3.4Å; L647-Y650 PolarHBondContact O-N 3.49Å; A648-Y650 VanDerWaalsContact C-N 3.33Å; Y650-L652 VanDerWaalsContact C-N 3.34Å; Y650-L652 PolarHBondContact O-N 2.84Å; Y650-K653 WeakPolarHBondContact O-CB 3.4Å; Y650-K653 PolarHBondContact O-N 3.48Å; Y650-K653 VanDerWaalsContact O-N 3.12Å; Y650-D654 PolarHBondContact O-N 2.93Å; Y650-D654 PolarHBondContact OH-OD2 3.34Å
651	C	95.4	Very high	94.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.3	-39	177.6	-170.4	0	0	0	0	112.3	D455 E457 A477 L647 A648 K653 D654 A655	D455-C651 PolarHBondContact O-SG 3.16Å; D455-C651 VanDerWaalsContact O-SG 3.42Å; D455-C651 PolarHBondContact OD2-SG 2.97Å; E457-C651 HydrophobicContact CG-CB 3.83Å; A477-C651 VanDerWaalsContact CB-C 3.46Å; A477-C651 HydrophobicContact CB-CB 4.04Å; A477-C651 WeakPolarHBondContact CB-O 3.38Å; A477-C651 WeakPolarHBondContact CB-SG 3.39Å; L647-C651 PolarHBondContact O-N 3.22Å; A648-C651 PolarHBondContact O-N 2.88Å; C651-K653 PolarHBondContact O-N 3.4Å; C651-D654 PolarHBondContact O-N 3.25Å; C651-A655 PolarHBondContact O-N 3.38Å
652	L	95.6	Very high	94.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.1	-40.9	173.7	-78.3	164.1	0	0	0	112.5	F145 A477 M479 V493 I502 A648 V649 Y650 D654 A655 Y656	F145-L652 HydrophobicContact CE1-CB 4.22Å; F145-L652 HydrophobicContact CZ-CB 4.48Å; A477-L652 HydrophobicContact CB-CB 4.49Å; A477-L652 HydrophobicContact CB-CD2 3.97Å; A477-L652 HydrophobicContact CB-CG 4.07Å; M479-L652 HydrophobicContact CE-CB 3.91Å; M479-L652 HydrophobicContact CE-CD2 3.52Å; M479-L652 HydrophobicContact CE-CG 4.31Å; M479-L652 WeakPolarHBondContact CE-O 3.33Å; M479-L652 HydrophobicContact SD-CD2 4.5Å; V493-L652 HydrophobicContact CB-CD1 4.34Å; V493-L652 HydrophobicContact CB-CD2 4.24Å; V493-L652 HydrophobicContact CB-CG 4.19Å; V493-L652 HydrophobicContact CG1-CD1 4.21Å; I502-L652 HydrophobicContact CD1-CD1 3.75Å; I502-L652 HydrophobicContact CG2-CD1 4.17Å; A648-L652 WeakPolarHBondContact O-CB 3.29Å; A648-L652 WeakPolarHBondContact O-CD1 3.4Å; A648-L652 VanDerWaalsContact O-CG 3.25Å; A648-L652 WeakPolarHBondContact O-CG 3.42Å; A648-L652 PolarHBondContact O-N 3.2Å; V649-L652 PolarHBondContact O-N 3.43Å; Y650-L652 VanDerWaalsContact C-N 3.34Å; Y650-L652 PolarHBondContact O-N 2.84Å; L652-D654 VanDerWaalsContact C-N 3.3Å; L652-A655 PolarHBondContact O-N 2.88Å; L652-Y656 WeakPolarHBondContact O-CB 3.38Å; L652-Y656 PolarHBondContact O-N 3.31Å
653	K	93.1	Very high	94.2	Very high	21 Å²	21	18.1 Å²	18.1	9%	0.091	9%	0.085	C	C	.	.	H	α-helix	trans	-64.9	-38.4	175.4	-170.5	68.7	177.7	175.6	0	110.7	F145 E623 V649 Y650 C651 Y656 L657	F145-K653 HydrophobicContact CD1-CB 4.38Å; F145-K653 HydrophobicContact CD1-CD 4.15Å; F145-K653 HydrophobicContact CD2-CD 3.68Å; F145-K653 HydrophobicContact CE1-CB 4.05Å; F145-K653 HydrophobicContact CE1-CD 4.23Å; F145-K653 HydrophobicContact CE2-CD 3.78Å; F145-K653 HydrophobicContact CG-CD 3.87Å; F145-K653 HydrophobicContact CZ-CB 4.32Å; F145-K653 HydrophobicContact CZ-CD 4.05Å; E623-K653 IonicContact OE2-NZ 2.75Å; E623-K653 PolarHBondContact OE2-NZ 3.48Å; V649-K653 PolarHBondContact O-N 2.99Å; Y650-K653 WeakPolarHBondContact O-CB 3.4Å; Y650-K653 PolarHBondContact O-N 3.48Å; Y650-K653 VanDerWaalsContact O-N 3.12Å; C651-K653 PolarHBondContact O-N 3.4Å; K653-Y656 PolarHBondContact O-N 3.35Å; K653-Y656 VanDerWaalsContact O-N 3.15Å; K653-L657 HydrophobicContact CD-CG 4.3Å; K653-L657 HydrophobicContact CG-CD1 3.99Å; K653-L657 HydrophobicContact CG-CG 4.19Å; K653-L657 VanDerWaalsContact O-CG 3.32Å; K653-L657 WeakPolarHBondContact O-CG 3.45Å; K653-L657 PolarHBondContact O-N 2.98Å
654	D	95	Very high	94.1	Very high	8 Å²	8	22.2 Å²	22.2	4%	0.043	10%	0.099	C	C	.	.	H	α-helix	trans	-69.4	-29.5	177.1	-82	5.3	0	0	0	113.6	D455 L613 K625 Y650 C651 L652 P658	D455-D654 HydrophobicContact CB-CB 4.06Å; L613-D654 HydrophobicContact CD2-CB 4.13Å; L613-D654 WeakPolarHBondContact CD2-OD1 3.33Å; K625-D654 WeakPolarHBondContact CD-OD1 3.23Å; K625-D654 WeakPolarHBondContact CE-OD1 3.5Å; K625-D654 IonicContact NZ-OD1 3.61Å; K625-D654 PolarHBondContact NZ-OD1 3.37Å; K625-D654 IonicContact NZ-OD2 2.89Å; K625-D654 PolarHBondContact NZ-OD2 3.45Å; Y650-D654 PolarHBondContact O-N 2.93Å; Y650-D654 PolarHBondContact OH-OD2 3.34Å; C651-D654 PolarHBondContact O-N 3.25Å; L652-D654 VanDerWaalsContact C-N 3.3Å; D654-P658 WeakPolarHBondContact O-CD 3.46Å; D654-P658 VanDerWaalsContact O-CG 3.24Å; D654-P658 WeakPolarHBondContact O-CG 3.37Å
655	A	97	Very high	93.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-76.4	-28.4	167.8	0	0	0	0	0	113.1	S453 D455 A477 M479 C651 L652	S453-A655 WeakPolarHBondContact CB-O 3.42Å; S453-A655 PolarHBondContact OG-O 3.01Å; D455-A655 HydrophobicContact CB-CB 4.16Å; A477-A655 HydrophobicContact CB-CB 4.01Å; M479-A655 HydrophobicContact CG-CB 4.06Å; C651-A655 PolarHBondContact O-N 3.38Å; L652-A655 PolarHBondContact O-N 2.88Å
656	Y	96	Very high	93.7	Very high	15 Å²	15	22 Å²	22	6%	0.059	10%	0.101	C	C	.	.	H	α-helix	trans	-81.6	-43.4	-177	-177.5	-124.7	0	0	0	114	F145 E148 P488 L652 K653 P658 L659 R660	F145-Y656 HydrophobicContact CD2-CD1 4.41Å; F145-Y656 AromaticContact CE2-CD1 3.58Å; F145-Y656 HydrophobicContact CE2-CD1 3.58Å; F145-Y656 HydrophobicContact CE2-CE1 4.07Å; F145-Y656 HydrophobicContact CE2-CG 4.17Å; F145-Y656 HydrophobicContact CZ-CD1 4.35Å; E148-Y656 PolarHBondContact OE1-OH 3.35Å; P488-Y656 HydrophobicContact CG-CD2 4.22Å; P488-Y656 HydrophobicContact CG-CE2 3.98Å; L652-Y656 WeakPolarHBondContact O-CB 3.38Å; L652-Y656 PolarHBondContact O-N 3.31Å; K653-Y656 PolarHBondContact O-N 3.35Å; K653-Y656 VanDerWaalsContact O-N 3.15Å; Y656-P658 VanDerWaalsContact C-N 3.34Å; Y656-L659 WeakPolarHBondContact O-CB 3.39Å; Y656-L659 PolarHBondContact O-N 2.94Å; Y656-R660 HydrophobicContact CD1-CG 4.46Å; Y656-R660 HydrophobicContact CE1-CG 4Å; Y656-R660 HydrophobicContact CE2-CG 4.12Å; Y656-R660 VanDerWaalsContact CZ-CD 3.44Å; Y656-R660 PolarHBondContact O-N 3.38Å; Y656-R660 WeakPolarHBondContact OH-CD 3.45Å
657	L	95.1	Very high	93.8	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-56.3	-39.7	-178	-73	169.8	0	0	0	113.3	L613 L621 K625 K653 L659 R660 L661	L613-L657 HydrophobicContact CD1-CB 3.98Å; L613-L657 HydrophobicContact CD2-CB 4.37Å; L613-L657 HydrophobicContact CD2-CD1 4.3Å; L613-L657 HydrophobicContact CG-CB 4.42Å; L613-L657 HydrophobicContact CG-CD1 4.22Å; L621-L657 HydrophobicContact CD1-CD2 3.97Å; K625-L657 HydrophobicContact CB-CD1 4.32Å; K625-L657 HydrophobicContact CD-CD1 4.25Å; K653-L657 HydrophobicContact CD-CG 4.3Å; K653-L657 HydrophobicContact CG-CD1 3.99Å; K653-L657 HydrophobicContact CG-CG 4.19Å; K653-L657 VanDerWaalsContact O-CG 3.32Å; K653-L657 WeakPolarHBondContact O-CG 3.45Å; K653-L657 PolarHBondContact O-N 2.98Å; L657-L659 VanDerWaalsContact C-N 3.34Å; L657-L659 PolarHBondContact O-N 2.73Å; L657-R660 PolarHBondContact O-N 3.23Å; L657-L661 WeakPolarHBondContact O-CB 3.38Å; L657-L661 WeakPolarHBondContact O-CG 3.29Å; L657-L661 PolarHBondContact O-N 2.99Å
658	P	96.5	Very high	93.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.9	-37.4	174.2	-27.4	36.3	0	0	0	114.1	L598 D654 Y656 L661 L662	L598-P658 HydrophobicContact CD2-CB 4.04Å; D654-P658 WeakPolarHBondContact O-CD 3.46Å; D654-P658 VanDerWaalsContact O-CG 3.24Å; D654-P658 WeakPolarHBondContact O-CG 3.37Å; Y656-P658 VanDerWaalsContact C-N 3.34Å; P658-L661 PolarHBondContact O-N 3Å; P658-L662 WeakPolarHBondContact O-CB 3.34Å; P658-L662 VanDerWaalsContact O-CG 3.31Å; P658-L662 WeakPolarHBondContact O-CG 3.39Å; P658-L662 PolarHBondContact O-N 3.4Å
659	L	95.9	Very high	93.7	Very high	14 Å²	14	21.3 Å²	21.3	7%	0.073	10%	0.1	C	C	.	.	H	α-helix	trans	-63.6	-45.8	174.9	-70.8	178.6	0	0	0	111.3	I451 S453 M479 I481 P488 T533 Y656 L657 L661 L662 D663	I451-L659 HydrophobicContact CB-CD2 4.42Å; I451-L659 HydrophobicContact CG2-CD2 3.74Å; S453-L659 VanDerWaalsContact CB-CG 3.44Å; M479-L659 HydrophobicContact CB-CD1 3.46Å; M479-L659 VanDerWaalsContact CB-CD1 3.46Å; I481-L659 HydrophobicContact CG2-CD1 4.06Å; I481-L659 HydrophobicContact CG2-CD2 3.86Å; P488-L659 HydrophobicContact CG-CD1 4.14Å; T533-L659 HydrophobicContact CG2-CD2 3.96Å; Y656-L659 WeakPolarHBondContact O-CB 3.39Å; Y656-L659 PolarHBondContact O-N 2.94Å; L657-L659 VanDerWaalsContact C-N 3.34Å; L657-L659 PolarHBondContact O-N 2.73Å; L659-L661 VanDerWaalsContact C-N 3.33Å; L659-L661 PolarHBondContact O-N 3.47Å; L659-L662 PolarHBondContact O-N 3.46Å; L659-D663 PolarHBondContact O-N 2.94Å; L659-D663 VanDerWaalsContact O-N 3.07Å
660	R	94.2	Very high	93.7	Very high	68 Å²	68	21.6 Å²	21.6	26%	0.257	10%	0.1	S	C	.	.	H	α-helix	trans	-64.3	-39	178.6	-69.7	-164.6	63.6	-169.1	-18.3	112.2	E148 L621 E623 Y656 L657 K664	E148-R660 IonicContact OE1-NH1 2.73Å; E148-R660 PolarHBondContact OE1-NH1 3.42Å; E148-R660 VanDerWaalsContact OE1-NH1 3.15Å; L621-R660 HydrophobicContact CD1-CB 3.99Å; E623-R660 IonicContact OE1-CZ 3.98Å; E623-R660 IonicContact OE1-NH1 3.64Å; E623-R660 PolarHBondContact OE1-NH1 3.15Å; E623-R660 IonicContact OE1-NH2 2.94Å; E623-R660 PolarHBondContact OE1-NH2 3.37Å; E623-R660 IonicContact OE2-NH1 3.65Å; E623-R660 PolarHBondContact OE2-NH1 2.97Å; Y656-R660 HydrophobicContact CD1-CG 4.46Å; Y656-R660 HydrophobicContact CE1-CG 4Å; Y656-R660 HydrophobicContact CE2-CG 4.12Å; Y656-R660 VanDerWaalsContact CZ-CD 3.44Å; Y656-R660 PolarHBondContact O-N 3.38Å; Y656-R660 WeakPolarHBondContact OH-CD 3.45Å; L657-R660 PolarHBondContact O-N 3.23Å; R660-K664 VanDerWaalsContact O-CB 3.22Å; R660-K664 WeakPolarHBondContact O-CB 3.31Å; R660-K664 PolarHBondContact O-N 3.49Å
661	L	94.8	Very high	93.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-68.2	-41.7	175.5	-73.6	167.3	0	0	0	112	L598 L613 V616 F620 L621 L657 P658 L659 D663 K664 L665	L598-L661 HydrophobicContact CD1-CB 4.44Å; L598-L661 HydrophobicContact CD2-CB 3.41Å; L598-L661 VanDerWaalsContact CD2-CB 3.41Å; L598-L661 HydrophobicContact CD2-CD1 3.57Å; L598-L661 HydrophobicContact CD2-CG 4.12Å; L613-L661 HydrophobicContact CD1-CD1 3.86Å; V616-L661 HydrophobicContact CG1-CD1 3.83Å; V616-L661 HydrophobicContact CG1-CD2 4.06Å; F620-L661 HydrophobicContact CB-CD2 3.82Å; F620-L661 HydrophobicContact CD2-CD2 4.14Å; F620-L661 HydrophobicContact CG-CD2 4.42Å; L621-L661 HydrophobicContact CD1-CD2 4.03Å; L621-L661 HydrophobicContact CD1-CG 4.03Å; L621-L661 HydrophobicContact CD2-CD2 4.24Å; L621-L661 HydrophobicContact CG-CD2 3.83Å; L621-L661 HydrophobicContact CG-CG 4.37Å; L657-L661 WeakPolarHBondContact O-CB 3.38Å; L657-L661 WeakPolarHBondContact O-CG 3.29Å; L657-L661 PolarHBondContact O-N 2.99Å; P658-L661 PolarHBondContact O-N 3Å; L659-L661 VanDerWaalsContact C-N 3.33Å; L659-L661 PolarHBondContact O-N 3.47Å; L661-D663 VanDerWaalsContact C-N 3.3Å; L661-D663 PolarHBondContact O-N 3.22Å; L661-K664 PolarHBondContact O-N 3Å; L661-L665 VanDerWaalsContact O-CB 3.3Å; L661-L665 WeakPolarHBondContact O-CB 3.42Å; L661-L665 VanDerWaalsContact O-CG 3.26Å; L661-L665 WeakPolarHBondContact O-CG 3.3Å; L661-L665 PolarHBondContact O-N 3.32Å
662	L	93.9	Very high	93.9	Very high	8 Å²	8	20.8 Å²	20.8	4%	0.042	10%	0.098	C	C	.	.	H	α-helix	trans	-58	-41.9	174.9	-81.8	176.2	0	0	0	112.1	T533 L598 I601 P658 L659 M666 C667	T533-L662 HydrophobicContact CG2-CD1 3.61Å; T533-L662 WeakPolarHBondContact OG1-CD1 3.35Å; L598-L662 HydrophobicContact CD1-CD2 4.15Å; L598-L662 HydrophobicContact CD1-CG 4.45Å; I601-L662 HydrophobicContact CD1-CD2 4.11Å; P658-L662 WeakPolarHBondContact O-CB 3.34Å; P658-L662 VanDerWaalsContact O-CG 3.31Å; P658-L662 WeakPolarHBondContact O-CG 3.39Å; P658-L662 PolarHBondContact O-N 3.4Å; L659-L662 PolarHBondContact O-N 3.46Å; L662-M666 PolarHBondContact O-N 3Å; L662-C667 HydrophobicContact CD2-CB 3.49Å; L662-C667 VanDerWaalsContact CD2-CB 3.49Å; L662-C667 PolarHBondContact O-N 2.95Å
663	D	92	Very high	93.8	Very high	86 Å²	86	20.9 Å²	20.9	46%	0.46	10%	0.098	S	C	.	.	H	α-helix	trans	-70.6	-50.2	176.7	-171.9	55.9	0	0	0	111.4	L659 L661 L665 M666 R836	L659-D663 PolarHBondContact O-N 2.94Å; L659-D663 VanDerWaalsContact O-N 3.07Å; L661-D663 VanDerWaalsContact C-N 3.3Å; L661-D663 PolarHBondContact O-N 3.22Å; D663-L665 PolarHBondContact O-N 2.8Å; D663-M666 PolarHBondContact O-N 3Å; D663-R836 IonicContact OD1-NH1 2.8Å; D663-R836 PolarHBondContact OD1-NH1 2.92Å; D663-R836 IonicContact OD2-NH1 2.7Å; D663-R836 PolarHBondContact OD2-NH1 3.25Å
664	K	90.4	Very high	93.9	Very high	123 Å²	123	20.5 Å²	20.5	54%	0.535	10%	0.097	S	C	.	.	H	α-helix	trans	-56.3	-37.7	-180	180	63	175.8	-177.8	0	112.7	F620 L621 R660 L661	F620-K664 WeakPolarHBondContact O-CE 3.38Å; L621-K664 HydrophobicContact CD2-CB 3.91Å; L621-K664 HydrophobicContact CD2-CG 3.94Å; R660-K664 VanDerWaalsContact O-CB 3.22Å; R660-K664 WeakPolarHBondContact O-CB 3.31Å; R660-K664 PolarHBondContact O-N 3.49Å; L661-K664 PolarHBondContact O-N 3Å
665	L	90.6	Very high	93.9	Very high	7 Å²	7	20.1 Å²	20.1	4%	0.037	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	4.8	-179.7	-56.3	178.4	0	0	0	113	L602 Y606 F620 L661 D663 C667	L602-L665 HydrophobicContact CD2-CD1 3.7Å; Y606-L665 HydrophobicContact CE2-CD1 4.15Å; F620-L665 HydrophobicContact CB-CD2 4.5Å; F620-L665 HydrophobicContact CD1-CD2 3.65Å; F620-L665 HydrophobicContact CD2-CD1 4.33Å; F620-L665 HydrophobicContact CD2-CD2 4.4Å; F620-L665 HydrophobicContact CE1-CD2 3.8Å; F620-L665 HydrophobicContact CE2-CD1 4.26Å; F620-L665 HydrophobicContact CG-CD2 3.96Å; F620-L665 HydrophobicContact CZ-CD2 4.24Å; L661-L665 VanDerWaalsContact O-CB 3.3Å; L661-L665 WeakPolarHBondContact O-CB 3.42Å; L661-L665 VanDerWaalsContact O-CG 3.26Å; L661-L665 WeakPolarHBondContact O-CG 3.3Å; L661-L665 PolarHBondContact O-N 3.32Å; D663-L665 PolarHBondContact O-N 2.8Å; L665-C667 PolarHBondContact O-N 2.81Å; L665-C667 VanDerWaalsContact O-N 3.11Å
666	M	90.5	Very high	93.9	Very high	31 Å²	31	20.4 Å²	20.4	15%	0.153	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	33.9	179.3	-58.5	-174.7	-70.8	0	0	113.7	L662 D663 I668 V669 N670 R836	L662-M666 PolarHBondContact O-N 3Å; D663-M666 PolarHBondContact O-N 3Å; M666-I668 PolarHBondContact O-N 3.49Å; M666-V669 PolarHBondContact O-N 2.77Å; M666-N670 WeakPolarHBondContact O-CB 3.09Å; M666-N670 VanDerWaalsContact O-CG 3.23Å; M666-N670 PolarHBondContact O-N 2.98Å; M666-N670 PolarHBondContact O-ND2 2.93Å; M666-R836 HydrophobicContact SD-CB 4.23Å; M666-R836 HydrophobicContact SD-CG 4.07Å
667	C	92.2	Very high	93.8	Very high	5 Å²	5	20.9 Å²	20.9	3%	0.034	10%	0.101	C	C	.	.	H	α-helix	trans	-59.6	-44.5	-168.2	-66.5	0	0	0	0	112.3	I601 L662 L665 N671	I601-C667 HydrophobicContact CD1-CB 4.43Å; L662-C667 HydrophobicContact CD2-CB 3.49Å; L662-C667 VanDerWaalsContact CD2-CB 3.49Å; L662-C667 PolarHBondContact O-N 2.95Å; L665-C667 PolarHBondContact O-N 2.81Å; L665-C667 VanDerWaalsContact O-N 3.11Å; C667-N671 PolarHBondContact O-N 3.48Å; C667-N671 PolarHBondContact O-ND2 3.29Å
668	I	93.3	Very high	93.8	Very high	7 Å²	7	20.9 Å²	20.9	4%	0.036	10%	0.101	C	C	.	.	H	α-helix	trans	-65.2	-50.2	-176.7	-58.7	-49.6	0	0	0	111.1	L449 I451 Y483 I531 F596 M666 N670 N671 I672	L449-I668 HydrophobicContact CD1-CG2 4.43Å; I451-I668 HydrophobicContact CD1-CG1 4.29Å; Y483-I668 HydrophobicContact CD2-CB 4.38Å; Y483-I668 HydrophobicContact CD2-CG2 4.12Å; Y483-I668 HydrophobicContact CE2-CB 4.34Å; Y483-I668 HydrophobicContact CE2-CG2 4.28Å; I531-I668 HydrophobicContact CD1-CD1 3.81Å; I531-I668 HydrophobicContact CD1-CG1 4.39Å; I531-I668 HydrophobicContact CD1-CG2 4.22Å; F596-I668 HydrophobicContact CD1-CD1 3.46Å; F596-I668 VanDerWaalsContact CD1-CD1 3.46Å; F596-I668 HydrophobicContact CD2-CD1 4.15Å; F596-I668 HydrophobicContact CE1-CD1 3.53Å; F596-I668 HydrophobicContact CE2-CD1 4.15Å; F596-I668 HydrophobicContact CG-CD1 3.82Å; F596-I668 HydrophobicContact CZ-CD1 3.88Å; M666-I668 PolarHBondContact O-N 3.49Å; I668-N670 PolarHBondContact O-N 2.64Å; I668-N671 PolarHBondContact O-N 2.87Å; I668-I672 HydrophobicContact CG2-CD1 3.69Å; I668-I672 HydrophobicContact CG2-CG1 4.41Å; I668-I672 WeakPolarHBondContact O-CB 3.31Å; I668-I672 WeakPolarHBondContact O-CG1 3.5Å; I668-I672 PolarHBondContact O-N 3.4Å
669	V	92.8	Very high	93.8	Very high	4 Å²	4	21 Å²	21	2%	0.024	10%	0.101	C	C	.	.	H	α-helix	trans	-59.6	-48.7	-179.6	179.7	0	0	0	0	111.4	I446 Y483 M666 N671 I672 E673 V837	I446-V669 HydrophobicContact CD1-CG2 4.26Å; Y483-V669 HydrophobicContact CE2-CG2 3.94Å; Y483-V669 WeakPolarHBondContact OH-CG2 3.41Å; M666-V669 PolarHBondContact O-N 2.77Å; V669-N671 VanDerWaalsContact C-N 3.28Å; V669-N671 PolarHBondContact O-N 2.6Å; V669-I672 PolarHBondContact O-N 2.9Å; V669-E673 HydrophobicContact CG1-CG 4.43Å; V669-E673 PolarHBondContact O-N 3.28Å; V669-V837 HydrophobicContact CG1-CB 4.45Å; V669-V837 HydrophobicContact CG1-CG2 4.23Å
670	N	92.3	Very high	93.7	Very high	29 Å²	29	20.3 Å²	20.3	16%	0.155	10%	0.098	C	C	.	.	H	α-helix	trans	-61.1	-38.8	-177.8	-70.8	-16.7	0	0	0	111.7	M666 I668 M674 G840	M666-N670 WeakPolarHBondContact O-CB 3.09Å; M666-N670 VanDerWaalsContact O-CG 3.23Å; M666-N670 PolarHBondContact O-N 2.98Å; M666-N670 PolarHBondContact O-ND2 2.93Å; I668-N670 PolarHBondContact O-N 2.64Å; N670-M674 VanDerWaalsContact O-CB 3.22Å; N670-M674 WeakPolarHBondContact O-CB 3.39Å; N670-M674 PolarHBondContact O-N 3.4Å; N670-M674 VanDerWaalsContact O-N 3.08Å; N670-G840 WeakPolarHBondContact OD1-CA 3.33Å
671	N	94	Very high	93.8	Very high	9 Å²	9	17 Å²	17	5%	0.048	9%	0.085	C	C	.	.	H	α-helix	trans	-75.9	-37.1	177.1	-72.5	-93.2	0	0	0	111.9	F596 R604 C667 I668 V669 M674 A675 L682 L685	F596-N671 HydrophobicContact CE1-CB 4.13Å; F596-N671 HydrophobicContact CZ-CB 4.07Å; R604-N671 PolarHBondContact NH1-OD1 2.7Å; R604-N671 VanDerWaalsContact NH1-OD1 3.13Å; R604-N671 PolarHBondContact NH2-ND2 3.3Å; R604-N671 PolarHBondContact NH2-OD1 2.7Å; R604-N671 VanDerWaalsContact NH2-OD1 3.11Å; C667-N671 PolarHBondContact O-N 3.48Å; C667-N671 PolarHBondContact O-ND2 3.29Å; I668-N671 PolarHBondContact O-N 2.87Å; V669-N671 VanDerWaalsContact C-N 3.28Å; V669-N671 PolarHBondContact O-N 2.6Å; N671-M674 PolarHBondContact O-N 2.86Å; N671-A675 WeakPolarHBondContact O-CB 3.38Å; N671-A675 PolarHBondContact O-N 2.69Å; N671-L682 HydrophobicContact CB-CD1 3.75Å; N671-L685 HydrophobicContact CB-CD1 4.16Å; N671-L685 WeakPolarHBondContact O-CD1 3.29Å
672	I	95.7	Very high	93.8	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-61.2	-49.1	174.5	-76.2	174.5	0	0	0	111.2	C362 I446 L449 I668 V669 M674 A675 R676 L682	C362-I672 HydrophobicContact CB-CB 4.37Å; C362-I672 HydrophobicContact CB-CG1 4.38Å; C362-I672 HydrophobicContact CB-CG2 3.69Å; I446-I672 HydrophobicContact CD1-CD1 4.07Å; I446-I672 HydrophobicContact CD1-CG2 4.11Å; I446-I672 HydrophobicContact CG1-CD1 4.42Å; I446-I672 HydrophobicContact CG1-CG2 4.23Å; I446-I672 HydrophobicContact CG2-CD1 3.74Å; L449-I672 HydrophobicContact CD1-CD1 4Å; I668-I672 HydrophobicContact CG2-CD1 3.69Å; I668-I672 HydrophobicContact CG2-CG1 4.41Å; I668-I672 WeakPolarHBondContact O-CB 3.31Å; I668-I672 WeakPolarHBondContact O-CG1 3.5Å; I668-I672 PolarHBondContact O-N 3.4Å; V669-I672 PolarHBondContact O-N 2.9Å; I672-M674 VanDerWaalsContact C-N 3.34Å; I672-M674 PolarHBondContact O-N 3.26Å; I672-A675 WeakPolarHBondContact O-CB 3.45Å; I672-A675 PolarHBondContact O-N 3.12Å; I672-A675 VanDerWaalsContact O-N 3.13Å; I672-R676 WeakPolarHBondContact O-CG 3.32Å; I672-R676 PolarHBondContact O-N 2.97Å; I672-L682 HydrophobicContact CG1-CD1 4.37Å; I672-L682 HydrophobicContact CG1-CD2 4.27Å
673	E	95.1	Very high	93.7	Very high	2 Å²	2	18 Å²	18	1%	0.009	9%	0.092	C	C	.	.	H	α-helix	trans	-66.4	-36.8	179.1	-72.5	-55.9	126.3	0	0	112	V669 A675 R676 V677 V837 R841 A844	V669-E673 HydrophobicContact CG1-CG 4.43Å; V669-E673 PolarHBondContact O-N 3.28Å; E673-A675 VanDerWaalsContact C-N 3.3Å; E673-A675 PolarHBondContact O-N 3.08Å; E673-R676 PolarHBondContact O-N 3.25Å; E673-R676 VanDerWaalsContact OE1-CD 3.29Å; E673-R676 WeakPolarHBondContact OE1-CD 3.49Å; E673-R676 IonicContact OE1-CZ 2.9Å; E673-R676 IonicContact OE1-NE 3.74Å; E673-R676 IonicContact OE1-NH1 2.7Å; E673-R676 PolarHBondContact OE1-NH1 3.48Å; E673-V677 WeakPolarHBondContact O-CB 3.42Å; E673-V677 VanDerWaalsContact O-CG2 3.25Å; E673-V677 WeakPolarHBondContact O-CG2 3.36Å; E673-V677 PolarHBondContact O-N 3.49Å; E673-V837 HydrophobicContact CG-CG1 4.47Å; E673-R841 HydrophobicContact CB-CB 4.32Å; E673-R841 HydrophobicContact CG-CB 3.96Å; E673-R841 WeakPolarHBondContact OE2-CB 2.96Å; E673-R841 WeakPolarHBondContact OE2-CG 3.31Å; E673-R841 IonicContact OE2-CZ 3.22Å; E673-R841 IonicContact OE2-NH1 3.75Å; E673-R841 PolarHBondContact OE2-NH1 3.41Å; E673-A844 HydrophobicContact CB-CB 4.23Å
674	M	94.4	Very high	93.7	Very high	13 Å²	13	15 Å²	15	6%	0.064	7%	0.074	C	C	.	.	H	α-helix	trans	-59.7	-40.3	171.1	-178.3	64.1	64.3	0	0	112.2	N670 N671 I672 T678 L685 K693 A844 I847	N670-M674 VanDerWaalsContact O-CB 3.22Å; N670-M674 WeakPolarHBondContact O-CB 3.39Å; N670-M674 PolarHBondContact O-N 3.4Å; N670-M674 VanDerWaalsContact O-N 3.08Å; N671-M674 PolarHBondContact O-N 2.86Å; I672-M674 VanDerWaalsContact C-N 3.34Å; I672-M674 PolarHBondContact O-N 3.26Å; M674-T678 WeakPolarHBondContact O-CB 3.46Å; M674-T678 WeakPolarHBondContact O-CG2 3.35Å; M674-T678 PolarHBondContact O-N 3.45Å; M674-T678 PolarHBondContact O-OG1 2.92Å; M674-T678 HydrophobicContact SD-CG2 3.74Å; M674-L685 HydrophobicContact CB-CD1 3.76Å; M674-L685 HydrophobicContact CG-CD1 3.75Å; M674-L685 HydrophobicContact CG-CD2 3.66Å; M674-L685 HydrophobicContact CG-CG 4.39Å; M674-K693 HydrophobicContact CG-CD 4.48Å; M674-K693 HydrophobicContact SD-CD 3.99Å; M674-A844 HydrophobicContact CB-CB 4.26Å; M674-A844 HydrophobicContact CE-CB 4Å; M674-I847 HydrophobicContact CE-CB 3.94Å; M674-I847 HydrophobicContact CE-CD1 4.29Å; M674-I847 HydrophobicContact CE-CG2 3.83Å
675	A	96	Very high	93.8	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-67.7	-39.8	178.5	0	0	0	0	0	111.5	G361 N671 I672 E673 G679 V680 L682 L685	G361-A675 PolarHBondContact N-O 3.47Å; G361-A675 CarbonylContact O-C 3.55Å; N671-A675 WeakPolarHBondContact O-CB 3.38Å; N671-A675 PolarHBondContact O-N 2.69Å; I672-A675 WeakPolarHBondContact O-CB 3.45Å; I672-A675 PolarHBondContact O-N 3.12Å; I672-A675 VanDerWaalsContact O-N 3.13Å; E673-A675 VanDerWaalsContact C-N 3.3Å; E673-A675 PolarHBondContact O-N 3.08Å; A675-G679 WeakPolarHBondContact O-CA 3.17Å; A675-G679 PolarHBondContact O-N 2.85Å; A675-V680 WeakPolarHBondContact CB-O 3.44Å; A675-V680 PolarHBondContact O-N 2.86Å; A675-L682 HydrophobicContact CB-CD1 4.39Å; A675-L685 HydrophobicContact CB-CD1 3.86Å
676	R	95.9	Very high	93.5	Very high	6 Å²	6	11.5 Å²	11.5	2%	0.023	6%	0.061	C	C	.	.	H	α-helix	trans	-62.3	-48.9	174	-73.3	170.6	165.8	-179.5	-8.1	111.8	T360 G361 C362 P439 W443 S444 N445 I672 E673	T360-R676 WeakPolarHBondContact CB-O 3.18Å; T360-R676 WeakPolarHBondContact CG2-O 3.5Å; G361-R676 VanDerWaalsContact O-CA 3.28Å; G361-R676 WeakPolarHBondContact O-CA 3.36Å; G361-R676 WeakPolarHBondContact O-CG 3.42Å; G361-R676 PolarHBondContact O-N 3.22Å; C362-R676 HydrophobicContact CB-CG 4.14Å; C362-R676 PolarHBondContact O-NE 2.85Å; C362-R676 PolarHBondContact O-NH2 3.08Å; P439-R676 HydrophobicContact CB-CG 4.03Å; P439-R676 HydrophobicContact CG-CB 4.07Å; P439-R676 HydrophobicContact CG-CG 4.06Å; W443-R676 PolarHBondContact O-NH2 2.98Å; S444-R676 PolarHBondContact O-NH1 3.22Å; S444-R676 PolarHBondContact O-NH2 3.36Å; N445-R676 PolarHBondContact O-NH2 2.93Å; I672-R676 WeakPolarHBondContact O-CG 3.32Å; I672-R676 PolarHBondContact O-N 2.97Å; E673-R676 PolarHBondContact O-N 3.25Å; E673-R676 VanDerWaalsContact OE1-CD 3.29Å; E673-R676 WeakPolarHBondContact OE1-CD 3.49Å; E673-R676 IonicContact OE1-CZ 2.9Å; E673-R676 IonicContact OE1-NE 3.74Å; E673-R676 IonicContact OE1-NH1 2.7Å; E673-R676 PolarHBondContact OE1-NH1 3.48Å
677	V	94.9	Very high	93.2	Very high	25 Å²	25	13.4 Å²	13.4	15%	0.152	7%	0.074	C	C	.	.	H	α-helix	trans	-66.3	-42.9	-178.1	168.4	0	0	0	0	112	E673 L815 A844 L845	E673-V677 WeakPolarHBondContact O-CB 3.42Å; E673-V677 VanDerWaalsContact O-CG2 3.25Å; E673-V677 WeakPolarHBondContact O-CG2 3.36Å; E673-V677 PolarHBondContact O-N 3.49Å; V677-L815 HydrophobicContact CG1-CD2 3.71Å; V677-A844 HydrophobicContact CG2-CB 4.19Å; V677-L845 HydrophobicContact CB-CD2 4.39Å; V677-L845 HydrophobicContact CG1-CD2 3.69Å; V677-L845 HydrophobicContact CG1-CG 4.34Å; V677-L845 HydrophobicContact CG2-CD2 3.73Å; V677-L845 HydrophobicContact CG2-CG 3.83Å
678	T	94.7	Very high	92.7	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	10%	0.098	C	C	.	.	H	α-helix	trans	-94.1	-10.2	-172.4	61.9	0	0	0	0	113.6	M674 V680 K693 S696 S848	M674-T678 WeakPolarHBondContact O-CB 3.46Å; M674-T678 WeakPolarHBondContact O-CG2 3.35Å; M674-T678 PolarHBondContact O-N 3.45Å; M674-T678 PolarHBondContact O-OG1 2.92Å; M674-T678 HydrophobicContact SD-CG2 3.74Å; T678-V680 WeakPolarHBondContact OG1-CG2 3.36Å; T678-K693 HydrophobicContact CG2-CB 3.75Å; T678-K693 HydrophobicContact CG2-CD 4.19Å; T678-K693 HydrophobicContact CG2-CG 4.1Å; T678-S696 VanDerWaalsContact O-CB 3.26Å; T678-S696 WeakPolarHBondContact O-CB 3.4Å; T678-S696 PolarHBondContact O-OG 3.49Å; T678-S848 VanDerWaalsContact CG2-OG 3.25Å; T678-S848 WeakPolarHBondContact CG2-OG 3.37Å
679	G	95.4	Very high	91.8	Very high	1 Å²	1	22 Å²	22	1%	0.01	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	34.3	176	0	0	0	0	0	114.2	A675 S696 R700	A675-G679 WeakPolarHBondContact O-CA 3.17Å; A675-G679 PolarHBondContact O-N 2.85Å; G679-S696 PolarHBondContact O-OG 2.91Å; G679-S696 VanDerWaalsContact O-OG 3.08Å; G679-R700 PolarHBondContact O-NH2 3.02Å
680	V	95.8	Very high	91.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.136	C	C	.	.			trans	-117.8	155.7	179.1	-56.3	0	0	0	0	111.1	I351 G361 A675 T678 L685	I351-V680 HydrophobicContact CD1-CB 4.18Å; I351-V680 HydrophobicContact CD1-CG1 4.01Å; G361-V680 VanDerWaalsContact CA-O 3.25Å; G361-V680 WeakPolarHBondContact CA-O 3.42Å; A675-V680 WeakPolarHBondContact CB-O 3.44Å; A675-V680 PolarHBondContact O-N 2.86Å; T678-V680 WeakPolarHBondContact OG1-CG2 3.36Å; V680-L685 HydrophobicContact CG2-CD2 3.66Å; V680-L685 HydrophobicContact CG2-CG 4.16Å
681	P	95.3	Very high	91	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.			trans	-56.9	148	172.2	-24.1	33.6	0	0	0	112.4	V202 M354 T683 Y684	V202-P681 HydrophobicContact CB-CG 4.3Å; M354-P681 HydrophobicContact SD-CG 3.74Å; P681-T683 PolarHBondContact O-N 3.44Å; P681-Y684 HydrophobicContact CB-CD1 4.1Å; P681-Y684 HydrophobicContact CB-CG 4.35Å; P681-Y684 HydrophobicContact CG-CD1 4.12Å; P681-Y684 HydrophobicContact CG-CE1 4.36Å; P681-Y684 HydrophobicContact CG-CG 4.25Å; P681-Y684 WeakPolarHBondContact O-CB 3.42Å; P681-Y684 PolarHBondContact O-N 2.99Å
682	L	95	Very high	90.8	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-58.2	-39.8	179.8	-175.2	57.3	0	0	0	111.7	F200 V594 F596 N671 I672 A675 Y684 L685	F200-L682 HydrophobicContact CB-CD2 4.42Å; F200-L682 VanDerWaalsContact O-CB 3.27Å; F200-L682 WeakPolarHBondContact O-CB 3.31Å; V594-L682 HydrophobicContact CG2-CD2 4.42Å; F596-L682 HydrophobicContact CE2-CD2 4.03Å; F596-L682 HydrophobicContact CE2-CG 4.27Å; F596-L682 HydrophobicContact CZ-CD1 4.18Å; F596-L682 HydrophobicContact CZ-CD2 4.2Å; F596-L682 HydrophobicContact CZ-CG 4.24Å; N671-L682 HydrophobicContact CB-CD1 3.75Å; I672-L682 HydrophobicContact CG1-CD1 4.37Å; I672-L682 HydrophobicContact CG1-CD2 4.27Å; A675-L682 HydrophobicContact CB-CD1 4.39Å; L682-Y684 PolarHBondContact O-N 3.2Å; L682-L685 HydrophobicContact CD1-CD1 4.2Å; L682-L685 WeakPolarHBondContact O-CB 3.36Å; L682-L685 PolarHBondContact O-N 3.29Å; L682-L685 VanDerWaalsContact O-N 3.12Å
683	T	92.3	Very high	90.7	Very high	28 Å²	28	28.1 Å²	28.1	17%	0.172	15%	0.151	C	C	.	.	H	α-helix	trans	-59.8	-28.5	176.6	48.2	0	0	0	0	113.2	D201 V594 P681 L685 L686 T687	D201-T683 VanDerWaalsContact OD1-CG2 3.3Å; D201-T683 WeakPolarHBondContact OD1-CG2 3.38Å; D201-T683 PolarHBondContact OD1-OG1 2.96Å; V594-T683 HydrophobicContact CG1-CG2 4.07Å; V594-T683 HydrophobicContact CG2-CG2 4.08Å; P681-T683 PolarHBondContact O-N 3.44Å; T683-L685 VanDerWaalsContact C-N 3.32Å; T683-L685 PolarHBondContact O-N 3.32Å; T683-L686 PolarHBondContact O-N 3.06Å; T683-T687 WeakPolarHBondContact O-CB 3.4Å; T683-T687 WeakPolarHBondContact O-CG2 3.46Å; T683-T687 PolarHBondContact O-N 2.8Å; T683-T687 VanDerWaalsContact O-N 3.08Å; T683-T687 PolarHBondContact O-OG1 3.27Å
684	Y	92.3	Very high	90.6	Very high	22 Å²	22	28.2 Å²	28.2	9%	0.086	15%	0.151	C	C	.	.	H	α-helix	trans	-70.5	-29.4	178.1	-83.3	30.1	0	0	0	112.1	D348 I351 P681 L682 L686 T687 R688 V692	D348-Y684 VanDerWaalsContact OD2-CE2 3.24Å; D348-Y684 WeakPolarHBondContact OD2-CE2 3.38Å; D348-Y684 PolarHBondContact OD2-OH 3.12Å; I351-Y684 HydrophobicContact CD1-CD2 4.1Å; I351-Y684 HydrophobicContact CD1-CE2 4Å; I351-Y684 HydrophobicContact CG1-CE2 3.93Å; P681-Y684 HydrophobicContact CB-CD1 4.1Å; P681-Y684 HydrophobicContact CB-CG 4.35Å; P681-Y684 HydrophobicContact CG-CD1 4.12Å; P681-Y684 HydrophobicContact CG-CE1 4.36Å; P681-Y684 HydrophobicContact CG-CG 4.25Å; P681-Y684 WeakPolarHBondContact O-CB 3.42Å; P681-Y684 PolarHBondContact O-N 2.99Å; L682-Y684 PolarHBondContact O-N 3.2Å; Y684-L686 PolarHBondContact O-N 3.43Å; Y684-T687 PolarHBondContact O-N 2.86Å; Y684-R688 HydrophobicContact CD1-CG 4.4Å; Y684-R688 HydrophobicContact CD2-CG 4.13Å; Y684-R688 HydrophobicContact CG-CG 3.99Å; Y684-R688 WeakPolarHBondContact O-CA 3.5Å; Y684-R688 VanDerWaalsContact O-CB 3.23Å; Y684-R688 WeakPolarHBondContact O-CB 3.32Å; Y684-R688 PolarHBondContact O-N 3.13Å; Y684-V692 HydrophobicContact CD2-CG2 3.81Å; Y684-V692 HydrophobicContact CE2-CG2 4.2Å
685	L	90.6	Very high	90.5	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.031	15%	0.154	C	C	.	.	H	α-helix	trans	-67.7	-23.7	176.6	-58.4	-178.2	0	0	0	112.9	R604 N671 M674 A675 V680 L682 T683 K693	R604-L685 PolarHBondContact NH1-O 3.32Å; N671-L685 HydrophobicContact CB-CD1 4.16Å; N671-L685 WeakPolarHBondContact O-CD1 3.29Å; M674-L685 HydrophobicContact CB-CD1 3.76Å; M674-L685 HydrophobicContact CG-CD1 3.75Å; M674-L685 HydrophobicContact CG-CD2 3.66Å; M674-L685 HydrophobicContact CG-CG 4.39Å; A675-L685 HydrophobicContact CB-CD1 3.86Å; V680-L685 HydrophobicContact CG2-CD2 3.66Å; V680-L685 HydrophobicContact CG2-CG 4.16Å; L682-L685 HydrophobicContact CD1-CD1 4.2Å; L682-L685 WeakPolarHBondContact O-CB 3.36Å; L682-L685 PolarHBondContact O-N 3.29Å; L682-L685 VanDerWaalsContact O-N 3.12Å; T683-L685 VanDerWaalsContact C-N 3.32Å; T683-L685 PolarHBondContact O-N 3.32Å; L685-K693 HydrophobicContact CD2-CD 4.27Å; L685-K693 VanDerWaalsContact CD2-CE 3.43Å; L685-K693 HydrophobicContact CD2-CG 4.26Å
686	L	86.1	Confident	90.5	Very high	51 Å²	51	28.6 Å²	28.6	27%	0.267	16%	0.155	S	C	.	.	H	α-helix	trans	-93.8	-32.9	-179.3	-54	177.1	0	0	0	111.8	V594 Q595 F596 T683 Y684	V594-L686 HydrophobicContact CG1-CD1 3.63Å; Q595-L686 VanDerWaalsContact O-CD1 3.3Å; Q595-L686 WeakPolarHBondContact O-CD1 3.48Å; F596-L686 HydrophobicContact CD2-CD1 3.88Å; F596-L686 HydrophobicContact CE1-CD2 4.22Å; F596-L686 HydrophobicContact CE2-CD1 3.79Å; F596-L686 HydrophobicContact CG-CD1 4.32Å; F596-L686 HydrophobicContact CZ-CD1 4.12Å; F596-L686 HydrophobicContact CZ-CD2 4.37Å; T683-L686 PolarHBondContact O-N 3.06Å; Y684-L686 PolarHBondContact O-N 3.43Å
687	T	82.8	Confident	90.5	Very high	70 Å²	70	29 Å²	29	43%	0.429	16%	0.157	S	C	.	.	H	α-helix	trans	-108.3	-14.4	-170.5	59.9	0	0	0	0	114.5	F587 T683 Y684	F587-T687 HydrophobicContact CE1-CG2 4.37Å; T683-T687 WeakPolarHBondContact O-CB 3.4Å; T683-T687 WeakPolarHBondContact O-CG2 3.46Å; T683-T687 PolarHBondContact O-N 2.8Å; T683-T687 VanDerWaalsContact O-N 3.08Å; T683-T687 PolarHBondContact O-OG1 3.27Å; Y684-T687 PolarHBondContact O-N 2.86Å
688	R	82.2	Confident	90.6	Very high	140 Å²	140	27.8 Å²	27.8	53%	0.528	15%	0.15	S	C	.	.	S	Bend	trans	-123.2	156.1	-177	-53	-64.5	-163.1	-161.9	2.8	111.3	Y684 V692	Y684-R688 HydrophobicContact CD1-CG 4.4Å; Y684-R688 HydrophobicContact CD2-CG 4.13Å; Y684-R688 HydrophobicContact CG-CG 3.99Å; Y684-R688 WeakPolarHBondContact O-CA 3.5Å; Y684-R688 VanDerWaalsContact O-CB 3.23Å; Y684-R688 WeakPolarHBondContact O-CB 3.32Å; Y684-R688 PolarHBondContact O-N 3.13Å; R688-V692 HydrophobicContact CB-CB 4.44Å; R688-V692 HydrophobicContact CB-CG1 3.95Å
689	G	75.3	Confident	90.7	Very high	54 Å²	54	27.8 Å²	27.8	56%	0.557	15%	0.149	S	C	*	.			trans	-80.3	172.3	178.5	0	0	0	0	0	114.1	Q691 V692	G689-Q691 PolarHBondContact O-N 3.49Å; G689-V692 WeakPolarHBondContact O-CG1 3.37Å; G689-V692 PolarHBondContact O-N 3.32Å
690	Q	80.5	Confident	90.7	Very high	64 Å²	64	29.2 Å²	29.2	30%	0.299	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-28.2	-174.3	-59.5	-62.9	-15.1	0	0	114.9	V692 K693	Q690-V692 VanDerWaalsContact C-N 3.28Å; Q690-V692 PolarHBondContact O-N 3.41Å; Q690-K693 WeakPolarHBondContact O-CB 3.34Å; Q690-K693 PolarHBondContact O-N 3.07Å
691	Q	86.5	Confident	90.8	Very high	61 Å²	61	30.2 Å²	30.2	29%	0.285	16%	0.159	S	C	.	.	H	α-helix	trans	-61.5	-32.2	-176.5	-66.4	-175.1	-1.3	0	0	113.7	G689 K693 V694 V695 F855 V860	G689-Q691 PolarHBondContact O-N 3.49Å; Q691-K693 PolarHBondContact O-N 3.44Å; Q691-V694 PolarHBondContact O-N 3.11Å; Q691-V695 WeakPolarHBondContact O-CG2 3.46Å; Q691-V695 PolarHBondContact O-N 3.31Å; Q691-F855 HydrophobicContact CB-CD2 4.22Å; Q691-F855 HydrophobicContact CB-CE2 4.2Å; Q691-F855 HydrophobicContact CG-CD2 4.19Å; Q691-F855 HydrophobicContact CG-CE2 4.46Å; Q691-V860 PolarHBondContact NE2-O 3.1Å
692	V	90.5	Very high	90.8	Very high	27 Å²	27	30.2 Å²	30.2	16%	0.164	16%	0.159	C	C	.	.	H	α-helix	trans	-62.7	-33.4	-178.8	75.1	0	0	0	0	111.9	Y684 R688 G689 Q690 S696	Y684-V692 HydrophobicContact CD2-CG2 3.81Å; Y684-V692 HydrophobicContact CE2-CG2 4.2Å; R688-V692 HydrophobicContact CB-CB 4.44Å; R688-V692 HydrophobicContact CB-CG1 3.95Å; G689-V692 WeakPolarHBondContact O-CG1 3.37Å; G689-V692 PolarHBondContact O-N 3.32Å; Q690-V692 VanDerWaalsContact C-N 3.28Å; Q690-V692 PolarHBondContact O-N 3.41Å; V692-S696 WeakPolarHBondContact O-CB 3.4Å; V692-S696 PolarHBondContact O-N 3.32Å
693	K	92.4	Very high	90.8	Very high	18 Å²	18	33.6 Å²	33.6	8%	0.078	18%	0.175	C	C	.	.	H	α-helix	trans	-65.1	-45.3	179.4	-59.2	175.9	-173.3	-173.6	0	111.6	M674 T678 L685 Q690 Q691 Q697	M674-K693 HydrophobicContact CG-CD 4.48Å; M674-K693 HydrophobicContact SD-CD 3.99Å; T678-K693 HydrophobicContact CG2-CB 3.75Å; T678-K693 HydrophobicContact CG2-CD 4.19Å; T678-K693 HydrophobicContact CG2-CG 4.1Å; L685-K693 HydrophobicContact CD2-CD 4.27Å; L685-K693 VanDerWaalsContact CD2-CE 3.43Å; L685-K693 HydrophobicContact CD2-CG 4.26Å; Q690-K693 WeakPolarHBondContact O-CB 3.34Å; Q690-K693 PolarHBondContact O-N 3.07Å; Q691-K693 PolarHBondContact O-N 3.44Å; K693-Q697 WeakPolarHBondContact O-CG 3.41Å; K693-Q697 PolarHBondContact O-N 2.93Å; K693-Q697 PolarHBondContact O-NE2 3.4Å
694	V	92.9	Very high	90.9	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.024	19%	0.191	C	C	.	.	H	α-helix	trans	-74.7	-38	-178.9	-176.7	0	0	0	0	110.7	Q691 S696 Q697 L698 F855	Q691-V694 PolarHBondContact O-N 3.11Å; V694-S696 PolarHBondContact O-N 3.35Å; V694-Q697 PolarHBondContact O-N 2.79Å; V694-L698 HydrophobicContact CG1-CD1 4.16Å; V694-L698 HydrophobicContact CG1-CG 4.43Å; V694-L698 WeakPolarHBondContact O-CB 3.27Å; V694-L698 PolarHBondContact O-N 3.35Å; V694-F855 HydrophobicContact CB-CB 3.98Å; V694-F855 HydrophobicContact CB-CD1 4.29Å; V694-F855 HydrophobicContact CB-CD2 3.76Å; V694-F855 HydrophobicContact CB-CE2 4.32Å; V694-F855 HydrophobicContact CB-CG 3.74Å; V694-F855 HydrophobicContact CG1-CB 3.73Å; V694-F855 HydrophobicContact CG1-CD1 3.56Å; V694-F855 HydrophobicContact CG1-CD2 3.97Å; V694-F855 HydrophobicContact CG1-CE1 4.14Å; V694-F855 HydrophobicContact CG1-CE2 4.5Å; V694-F855 HydrophobicContact CG1-CG 3.46Å; V694-F855 VanDerWaalsContact CG1-CG 3.46Å; V694-F855 HydrophobicContact CG2-CB 4Å; V694-F855 HydrophobicContact CG2-CD2 4.44Å; V694-F855 HydrophobicContact CG2-CG 4.31Å
695	V	93.8	Very high	91.1	Very high	20 Å²	20	40.5 Å²	40.5	12%	0.121	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-44	173.9	172.7	0	0	0	0	111.5	I347 Q691 Q697 L698 L699 F855 K862	I347-V695 HydrophobicContact CD1-CG1 3.99Å; Q691-V695 WeakPolarHBondContact O-CG2 3.46Å; Q691-V695 PolarHBondContact O-N 3.31Å; V695-Q697 PolarHBondContact O-N 3.06Å; V695-L698 PolarHBondContact O-N 3.1Å; V695-L699 WeakPolarHBondContact O-CB 3.37Å; V695-L699 PolarHBondContact O-N 3.49Å; V695-F855 HydrophobicContact CG2-CE2 3.58Å; V695-F855 HydrophobicContact CG2-CZ 3.64Å; V695-K862 HydrophobicContact CG2-CB 3.67Å; V695-K862 HydrophobicContact CG2-CG 3.99Å
696	S	95.6	Very high	91.3	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.007	21%	0.213	C	C	.	.	H	α-helix	trans	-59	-46.3	176.7	170.1	0	0	0	0	112.2	T678 G679 V692 V694 L699 R700	T678-S696 VanDerWaalsContact O-CB 3.26Å; T678-S696 WeakPolarHBondContact O-CB 3.4Å; T678-S696 PolarHBondContact O-OG 3.49Å; G679-S696 PolarHBondContact O-OG 2.91Å; G679-S696 VanDerWaalsContact O-OG 3.08Å; V692-S696 WeakPolarHBondContact O-CB 3.4Å; V692-S696 PolarHBondContact O-N 3.32Å; V694-S696 PolarHBondContact O-N 3.35Å; S696-L699 PolarHBondContact O-N 2.88Å; S696-R700 WeakPolarHBondContact O-CG 3.43Å; S696-R700 PolarHBondContact O-N 3.44Å
697	Q	96	Very high	91.8	Very high	15 Å²	15	39.5 Å²	39.5	7%	0.07	20%	0.204	C	C	.	.	H	α-helix	trans	-65	-44.7	177.7	-70.3	170.1	93.5	0	0	112.3	K693 V694 V695 L699 R700 K701 I811	K693-Q697 WeakPolarHBondContact O-CG 3.41Å; K693-Q697 PolarHBondContact O-N 2.93Å; K693-Q697 PolarHBondContact O-NE2 3.4Å; V694-Q697 PolarHBondContact O-N 2.79Å; V695-Q697 PolarHBondContact O-N 3.06Å; Q697-L699 VanDerWaalsContact C-N 3.31Å; Q697-L699 PolarHBondContact O-N 3.24Å; Q697-R700 PolarHBondContact O-N 2.97Å; Q697-K701 PolarHBondContact O-N 3.25Å; Q697-K701 VanDerWaalsContact O-N 3.12Å; Q697-I811 HydrophobicContact CB-CD1 4.41Å
698	L	95.9	Very high	92.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59	-43.2	174	-86.3	173.7	0	0	0	111.8	I297 V694 V695 K701 A702 L709 Y757 I807 L808 I811 F855	I297-L698 HydrophobicContact CD1-CD2 4.24Å; V694-L698 HydrophobicContact CG1-CD1 4.16Å; V694-L698 HydrophobicContact CG1-CG 4.43Å; V694-L698 WeakPolarHBondContact O-CB 3.27Å; V694-L698 PolarHBondContact O-N 3.35Å; V695-L698 PolarHBondContact O-N 3.1Å; L698-K701 PolarHBondContact O-N 3.29Å; L698-A702 WeakPolarHBondContact O-CB 3.44Å; L698-A702 PolarHBondContact O-N 3.22Å; L698-L709 HydrophobicContact CB-CD2 4.25Å; L698-Y757 HydrophobicContact CD1-CE2 4.07Å; L698-Y757 HydrophobicContact CD2-CE2 4.39Å; L698-I807 HydrophobicContact CD2-CG2 4Å; L698-L808 HydrophobicContact CD1-CD2 4.46Å; L698-L808 HydrophobicContact CD2-CD2 3.57Å; L698-L808 HydrophobicContact CD2-CG 4.48Å; L698-L808 HydrophobicContact CG-CD2 4.25Å; L698-I811 HydrophobicContact CD2-CD1 3.88Å; L698-I811 HydrophobicContact CG-CD1 4.21Å; L698-F855 HydrophobicContact CD1-CD1 4.1Å; L698-F855 HydrophobicContact CD1-CE1 3.45Å; L698-F855 VanDerWaalsContact CD1-CE1 3.45Å; L698-F855 HydrophobicContact CD1-CZ 4.11Å
699	L	96.7	Very high	93.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.7	-44.1	-178.7	-175.9	67.4	0	0	0	111.7	E344 I347 I351 T355 V695 S696 Q697 A702 H703 L709	E344-L699 HydrophobicContact CG-CD1 4.43Å; E344-L699 WeakPolarHBondContact OE1-CD1 3.34Å; I347-L699 HydrophobicContact CD1-CD1 4.3Å; I347-L699 HydrophobicContact CD1-CD2 4.14Å; I347-L699 HydrophobicContact CG1-CD1 4.28Å; I347-L699 HydrophobicContact CG1-CD2 4.17Å; I347-L699 HydrophobicContact CG2-CD2 3.54Å; I351-L699 HydrophobicContact CG2-CD2 4.07Å; T355-L699 HydrophobicContact CG2-CD2 4.34Å; T355-L699 HydrophobicContact CG2-CG 4.18Å; V695-L699 WeakPolarHBondContact O-CB 3.37Å; V695-L699 PolarHBondContact O-N 3.49Å; S696-L699 PolarHBondContact O-N 2.88Å; Q697-L699 VanDerWaalsContact C-N 3.31Å; Q697-L699 PolarHBondContact O-N 3.24Å; L699-A702 PolarHBondContact O-N 3.33Å; L699-H703 VanDerWaalsContact O-CB 3.29Å; L699-H703 WeakPolarHBondContact O-CB 3.47Å; L699-H703 PolarHBondContact O-N 3.25Å; L699-L709 HydrophobicContact CD1-CD1 3.98Å
700	R	96.9	Very high	93.9	Very high	32 Å²	32	28.7 Å²	28.7	12%	0.121	14%	0.142	C	C	.	.	H	α-helix	trans	-59.1	-49.3	176.1	-72.5	169.9	-169.1	-81.5	-2.8	111.3	M354 T355 M359 G679 S696 Q697 H703 E704	M354-R700 PolarHBondContact O-NH1 3Å; M354-R700 PolarHBondContact O-NH2 2.98Å; T355-R700 HydrophobicContact CG2-CB 4.42Å; T355-R700 HydrophobicContact CG2-CG 3.78Å; M359-R700 VanDerWaalsContact O-CZ 3.25Å; M359-R700 PolarHBondContact O-NH1 3.4Å; M359-R700 PolarHBondContact O-NH2 3.28Å; G679-R700 PolarHBondContact O-NH2 3.02Å; S696-R700 WeakPolarHBondContact O-CG 3.43Å; S696-R700 PolarHBondContact O-N 3.44Å; Q697-R700 PolarHBondContact O-N 2.97Å; R700-H703 WeakPolarHBondContact O-CB 3.39Å; R700-H703 PolarHBondContact O-N 3.4Å; R700-E704 WeakPolarHBondContact O-CG 3.4Å; R700-E704 PolarHBondContact O-N 3.33Å
701	K	96.5	Very high	94.4	Very high	21 Å²	21	26.8 Å²	26.8	9%	0.091	14%	0.135	C	C	.	.	H	α-helix	trans	-70.2	-37	179.5	-70.1	-65.2	176.5	-173.8	0	114.1	Q697 L698 H703 E704 H705 I807 E810 I811 Q814	Q697-K701 PolarHBondContact O-N 3.25Å; Q697-K701 VanDerWaalsContact O-N 3.12Å; L698-K701 PolarHBondContact O-N 3.29Å; K701-H703 VanDerWaalsContact C-N 3.3Å; K701-H703 PolarHBondContact O-N 3.15Å; K701-E704 WeakPolarHBondContact CD-OE2 3.29Å; K701-E704 IonicContact NZ-OE1 3.45Å; K701-E704 IonicContact NZ-OE2 2.74Å; K701-E704 PolarHBondContact NZ-OE2 3.3Å; K701-E704 PolarHBondContact O-N 3.02Å; K701-H705 PolarHBondContact O-CD2 2.92Å; K701-H705 VanDerWaalsContact O-CD2 3.28Å; K701-H705 PolarHBondContact O-N 3.37Å; K701-H705 VanDerWaalsContact O-N 3.16Å; K701-I807 HydrophobicContact CB-CG2 3.69Å; K701-E810 WeakPolarHBondContact CD-OE1 3.13Å; K701-E810 WeakPolarHBondContact CE-OE1 3.39Å; K701-E810 IonicContact NZ-OE1 3.21Å; K701-E810 PolarHBondContact NZ-OE1 3.27Å; K701-I811 HydrophobicContact CB-CD1 4.29Å; K701-I811 HydrophobicContact CB-CG1 4.25Å; K701-I811 HydrophobicContact CG-CD1 4.18Å; K701-I811 HydrophobicContact CG-CG1 3.67Å; K701-Q814 VanDerWaalsContact CE-CD 3.5Å; K701-Q814 VanDerWaalsContact NZ-OE1 3.09Å
702	A	96.1	Very high	94	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.8	-43.3	172.3	0	0	0	0	0	111	I297 L698 L699 E704 H705 G706 Y707 L709	I297-A702 HydrophobicContact CD1-CB 4.25Å; L698-A702 WeakPolarHBondContact O-CB 3.44Å; L698-A702 PolarHBondContact O-N 3.22Å; L699-A702 PolarHBondContact O-N 3.33Å; A702-E704 PolarHBondContact O-N 3.48Å; A702-H705 CarbonylContact O-C 3.56Å; A702-H705 PolarHBondContact O-N 3.41Å; A702-G706 PolarHBondContact O-N 2.97Å; A702-Y707 CarbonylContact C-O 3.48Å; A702-Y707 PolarHBondContact O-N 3.47Å; A702-L709 HydrophobicContact CB-CD1 3.34Å
703	H	95.2	Very high	93	Very high	72 Å²	72	32.6 Å²	32.6	33%	0.333	16%	0.158	S	C	.	.	H	α-helix	trans	-60.2	-45.7	177	-172.7	78.6	0	0	0	112.3	T355 L699 R700 K701 H705 G706	T355-H703 HydrophobicContact CG2-CB 4.34Å; L699-H703 VanDerWaalsContact O-CB 3.29Å; L699-H703 WeakPolarHBondContact O-CB 3.47Å; L699-H703 PolarHBondContact O-N 3.25Å; R700-H703 WeakPolarHBondContact O-CB 3.39Å; R700-H703 PolarHBondContact O-N 3.4Å; K701-H703 VanDerWaalsContact C-N 3.3Å; K701-H703 PolarHBondContact O-N 3.15Å; H703-H705 VanDerWaalsContact C-N 3.29Å; H703-H705 PolarHBondContact O-N 2.91Å; H703-G706 PolarHBondContact O-N 2.85Å
704	E	94.9	Very high	91.8	Very high	110 Å²	110	35 Å²	35	51%	0.514	18%	0.177	S	C	.	.	H	α-helix	trans	-58.6	-37.1	176.7	-72.6	169.9	-147.1	0	0	112.9	R700 K701 A702	R700-E704 WeakPolarHBondContact O-CG 3.4Å; R700-E704 PolarHBondContact O-N 3.33Å; K701-E704 WeakPolarHBondContact CD-OE2 3.29Å; K701-E704 IonicContact NZ-OE1 3.45Å; K701-E704 IonicContact NZ-OE2 2.74Å; K701-E704 PolarHBondContact NZ-OE2 3.3Å; K701-E704 PolarHBondContact O-N 3.02Å; A702-E704 PolarHBondContact O-N 3.48Å
705	H	94.9	Very high	90.5	Very high	85 Å²	85	41.5 Å²	41.5	39%	0.394	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	5.1	-176.5	-74.1	-84.4	0	0	0	114.6	K701 A702 H703 Y707 I807 E810	K701-H705 PolarHBondContact O-CD2 2.92Å; K701-H705 VanDerWaalsContact O-CD2 3.28Å; K701-H705 PolarHBondContact O-N 3.37Å; K701-H705 VanDerWaalsContact O-N 3.16Å; A702-H705 CarbonylContact O-C 3.56Å; A702-H705 PolarHBondContact O-N 3.41Å; H703-H705 VanDerWaalsContact C-N 3.29Å; H703-H705 PolarHBondContact O-N 2.91Å; H705-Y707 VanDerWaalsContact C-N 3.32Å; H705-Y707 HydrophobicContact CB-CD2 3.59Å; H705-Y707 HydrophobicContact CB-CE2 3.82Å; H705-Y707 PolarHBondContact O-N 3.28Å; H705-I807 HydrophobicContact CB-CD1 3.95Å; H705-I807 WeakPolarHBondContact CD2-CD1 3.31Å; H705-E810 IonicContact CD2-OE2 3.46Å; H705-E810 IonicContact CE1-OE2 2.67Å; H705-E810 PolarHBondContact CE1-OE2 2.97Å; H705-E810 IonicContact NE2-OE1 3.81Å; H705-E810 IonicContact NE2-OE2 3.29Å; H705-E810 PolarHBondContact NE2-OE2 2.9Å
706	G	95.4	Very high	89	Confident	19 Å²	19	49.9 Å²	49.9	20%	0.196	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	21.4	-179.2	0	0	0	0	0	115	K294 Q295 A702 H703	K294-G706 WeakPolarHBondContact CA-O 3.47Å; Q295-G706 PolarHBondContact N-O 3.42Å; A702-G706 PolarHBondContact O-N 2.97Å; H703-G706 PolarHBondContact O-N 2.85Å
707	Y	97	Very high	87.4	Confident	17 Å²	17	51.4 Å²	51.4	7%	0.067	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	153	170.9	-69.8	-78.7	0	0	0	112	Q295 I297 A702 H705 T758 I807	Q295-Y707 HydrophobicContact CB-CD1 3.43Å; Q295-Y707 VanDerWaalsContact CB-CD1 3.43Å; Q295-Y707 HydrophobicContact CB-CE1 3.56Å; Q295-Y707 HydrophobicContact CB-CG 4.29Å; Q295-Y707 HydrophobicContact CG-CE1 4.39Å; Q295-Y707 CarbonylContact O-C 3.46Å; Q295-Y707 VanDerWaalsContact O-CA 3.24Å; Q295-Y707 WeakPolarHBondContact O-CA 3.33Å; I297-Y707 HydrophobicContact CB-CD1 4.32Å; I297-Y707 HydrophobicContact CB-CG 4.46Å; I297-Y707 HydrophobicContact CG1-CD1 4.46Å; I297-Y707 HydrophobicContact CG1-CG 4.37Å; A702-Y707 CarbonylContact C-O 3.48Å; A702-Y707 PolarHBondContact O-N 3.47Å; H705-Y707 VanDerWaalsContact C-N 3.32Å; H705-Y707 HydrophobicContact CB-CD2 3.59Å; H705-Y707 HydrophobicContact CB-CE2 3.82Å; H705-Y707 PolarHBondContact O-N 3.28Å; Y707-T758 HydrophobicContact CD1-CG2 3.9Å; Y707-T758 HydrophobicContact CD2-CG2 4.24Å; Y707-T758 HydrophobicContact CE1-CG2 3.59Å; Y707-T758 HydrophobicContact CE2-CG2 3.97Å; Y707-T758 HydrophobicContact CG-CG2 4.22Å; Y707-I807 HydrophobicContact CD2-CD1 4.06Å; Y707-I807 HydrophobicContact CD2-CG1 4.13Å; Y707-I807 HydrophobicContact CE2-CD1 4.11Å; Y707-I807 HydrophobicContact CE2-CG1 4.2Å
708	L	96.8	Very high	86.2	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	137.4	173.4	-64.6	176.4	0	0	0	110.7	Y248 K294 Q295 I297 F308 F343 E344	Y248-L708 HydrophobicContact CD1-CD1 4.02Å; Y248-L708 HydrophobicContact CD1-CD2 4.29Å; Y248-L708 HydrophobicContact CD2-CD1 4.12Å; Y248-L708 HydrophobicContact CD2-CD2 3.43Å; Y248-L708 VanDerWaalsContact CD2-CD2 3.43Å; Y248-L708 HydrophobicContact CD2-CG 4.4Å; Y248-L708 HydrophobicContact CE1-CD2 4.33Å; Y248-L708 HydrophobicContact CE2-CD2 3.46Å; Y248-L708 VanDerWaalsContact CE2-CD2 3.46Å; Y248-L708 HydrophobicContact CG-CD1 3.7Å; Y248-L708 HydrophobicContact CG-CD2 3.87Å; Y248-L708 HydrophobicContact CG-CG 4.45Å; K294-L708 HydrophobicContact CB-CD1 3.64Å; K294-L708 HydrophobicContact CB-CG 3.83Å; K294-L708 HydrophobicContact CD-CD2 4.45Å; K294-L708 HydrophobicContact CD-CG 4.45Å; K294-L708 HydrophobicContact CG-CD1 3.88Å; K294-L708 HydrophobicContact CG-CD2 4.37Å; K294-L708 HydrophobicContact CG-CG 4.05Å; Q295-L708 PolarHBondContact O-N 2.93Å; I297-L708 WeakPolarHBondContact CG2-O 3.49Å; I297-L708 PolarHBondContact N-O 3.05Å; I297-L708 VanDerWaalsContact N-O 3.1Å; F308-L708 HydrophobicContact CB-CD1 4.13Å; F308-L708 HydrophobicContact CD1-CD1 3.57Å; F308-L708 HydrophobicContact CD2-CD1 4.11Å; F308-L708 HydrophobicContact CE1-CD1 3.94Å; F308-L708 HydrophobicContact CE2-CD1 4.43Å; F308-L708 HydrophobicContact CG-CD1 3.67Å; F308-L708 HydrophobicContact CZ-CD1 4.36Å; F343-L708 HydrophobicContact CB-CB 4.14Å; F343-L708 HydrophobicContact CB-CD1 4.4Å; F343-L708 HydrophobicContact CD1-CB 3.79Å; F343-L708 HydrophobicContact CG-CB 4.27Å; E344-L708 HydrophobicContact CG-CD2 4.48Å
709	L	95.3	Very high	85.3	Confident	9 Å²	9	64 Å²	64	5%	0.047	32%	0.324	C	S	.	.			trans	-84.4	127.1	174.3	-73	69.4	0	0	0	110.2	I297 F343 E344 L698 L699 A702	I297-L709 HydrophobicContact CD1-CD1 4.38Å; I297-L709 HydrophobicContact CG2-CG 4.36Å; F343-L709 CarbonylContact C-O 3.56Å; F343-L709 WeakPolarHBondContact CA-O 3.41Å; E344-L709 HydrophobicContact CG-CB 4.2Å; E344-L709 WeakPolarHBondContact CG-O 3.27Å; E344-L709 PolarHBondContact N-O 3.2Å; E344-L709 PolarHBondContact OE1-N 3.26Å; L698-L709 HydrophobicContact CB-CD2 4.25Å; L699-L709 HydrophobicContact CD1-CD1 3.98Å; A702-L709 HydrophobicContact CB-CD1 3.34Å
710	P	92.9	Very high	84.4	Confident	25 Å²	25	65.9 Å²	65.9	16%	0.162	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-66.7	148.1	174.8	28.7	-35.2	0	0	0	110.8	F343 Y712 L863	F343-P710 HydrophobicContact CD1-CB 4.1Å; F343-P710 HydrophobicContact CE1-CB 3.88Å; F343-P710 HydrophobicContact CZ-CB 4.47Å; P710-Y712 VanDerWaalsContact C-N 3.26Å; P710-Y712 PolarHBondContact O-N 3.45Å; P710-L863 HydrophobicContact CG-CD1 3.67Å
711	T	90.3	Very high	83.8	Confident	24 Å²	24	68.5 Å²	68.5	15%	0.147	35%	0.352	C	S	.	.			trans	-77.7	80	172.5	-50.5	0	0	0	0	109.8	K323 A342 E344 A345 N346	K323-T711 HydrophobicContact CD-CG2 4.16Å; A342-T711 WeakPolarHBondContact O-CB 3.16Å; A342-T711 PolarHBondContact O-N 3.42Å; A342-T711 PolarHBondContact O-OG1 3.37Å; E344-T711 PolarHBondContact N-OG1 3.1Å; A345-T711 HydrophobicContact CB-CG2 4.4Å; A345-T711 PolarHBondContact N-OG1 3.17Å; A345-T711 VanDerWaalsContact N-OG1 3.14Å; N346-T711 HydrophobicContact CB-CG2 3.8Å
712	Y	79	Confident	83.1	Confident	77 Å²	77	67.7 Å²	67.7	30%	0.302	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-66.1	135.3	-175.5	-158.9	-91.5	0	0	0	111.9	P710 K862 L863 P864	P710-Y712 VanDerWaalsContact C-N 3.26Å; P710-Y712 PolarHBondContact O-N 3.45Å; Y712-K862 WeakPolarHBondContact CB-O 3.36Å; Y712-L863 HydrophobicContact CD2-CD1 4.39Å; Y712-P864 HydrophobicContact CD1-CG 4.16Å; Y712-P864 HydrophobicContact CE1-CG 3.52Å
713	Q	69.6	Low	82.4	Confident	134 Å²	134	68.1 Å²	68.1	63%	0.626	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-97.4	120	169	-68.1	-176.8	-1.8	0	0	108.5	Q715	Q713-Q715 PolarHBondContact O-N 3.47Å; Q713-Q715 VanDerWaalsContact O-N 3.12Å
714	S	67	Low	81.5	Confident	68 Å²	68	66 Å²	66	48%	0.476	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-60.8	117.2	-180	-51.2	0	0	0	0	110.4	G861	S714-G861 PolarHBondContact OG-O 3.22Å
715	Q	65	Low	80.8	Confident	141 Å²	141	62 Å²	62	66%	0.659	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-101.3	156.2	167.9	-62.6	-176.1	5.7	0	0	108.6	Q713 G717	Q713-Q715 PolarHBondContact O-N 3.47Å; Q713-Q715 VanDerWaalsContact O-N 3.12Å; Q715-G717 PolarHBondContact O-N 3.11Å
716	Q	61.8	Low	80.5	Confident	195 Å²	195	59.1 Å²	59.1	91%	0.911	32%	0.315	S	S	*	.			trans	-64	105.9	167.8	-84.3	-179	-18.2	0	0	108
717	G	61.9	Low	80.2	Confident	34 Å²	34	65 Å²	65	35%	0.351	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-80	154.9	179	0	0	0	0	0	112.8	Q715	Q715-G717 PolarHBondContact O-N 3.11Å
718	D	72.1	Confident	80	Confident	130 Å²	130	64.8 Å²	64.8	70%	0.695	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-65.8	151.6	174.4	-66	-41.4	0	0	0	112.1	L866	D718-L866 HydrophobicContact CB-CD1 3.96Å; D718-L866 WeakPolarHBondContact O-CD1 3.06Å
719	E	76.4	Confident	79.9	Confident	148 Å²	148	70.7 Å²	70.7	69%	0.692	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-78.4	144.7	170.7	-72.7	-176.2	177.9	0	0	111.3
720	F	78.4	Confident	79.8	Confident	40 Å²	40	76.4 Å²	76.4	18%	0.175	39%	0.385	C	S	.	.			trans	-119.3	159	174.5	67.2	-83.1	0	0	0	111.4	F33 G722 L866 A870 T873	F33-F720 HydrophobicContact CD2-CE1 4.47Å; F33-F720 HydrophobicContact CD2-CZ 4.44Å; F33-F720 HydrophobicContact CE2-CE1 4.43Å; F33-F720 HydrophobicContact CE2-CZ 4.48Å; F720-G722 PolarHBondContact O-N 3.49Å; F720-L866 HydrophobicContact CD1-CD2 3.76Å; F720-L866 HydrophobicContact CE1-CD2 4.23Å; F720-A870 HydrophobicContact CB-CB 3.9Å; F720-A870 HydrophobicContact CD2-CB 4.15Å; F720-A870 HydrophobicContact CG-CB 4.22Å; F720-T873 HydrophobicContact CE2-CG2 3.97Å
721	V	83.2	Confident	79.8	Confident	88 Å²	88	76 Å²	76	53%	0.533	39%	0.385	S	S	.	.			trans	-73.1	118.3	178.9	-173.6	0	0	0	0	109.4	T873 R877	V721-T873 PolarHBondContact O-OG1 3.47Å; V721-T873 VanDerWaalsContact O-OG1 3.05Å; V721-R877 PolarHBondContact O-NH1 2.95Å
722	G	82.8	Confident	80	Confident	3 Å²	3	77 Å²	77	3%	0.031	39%	0.387	C	S	.	.			trans	-73.2	-172.7	173	0	0	0	0	0	114.7	E36 F720 R877	E36-G722 VanDerWaalsContact OE1-C 3.28Å; E36-G722 WeakPolarHBondContact OE1-CA 3.38Å; F720-G722 PolarHBondContact O-N 3.49Å; G722-R877 PolarHBondContact O-NH1 3.41Å
723	A	80.6	Confident	80.8	Confident	9 Å²	9	74.9 Å²	74.9	7%	0.074	38%	0.379	C	S	.	.			trans	-51.2	162.3	-178.5	0	0	0	0	0	114.8	K32 E36 T908	K32-A723 PolarHBondContact NZ-O 2.79Å; E36-A723 PolarHBondContact OE1-N 3.04Å; A723-T908 HydrophobicContact CB-CG2 3.84Å
724	T	76.3	Confident	82	Confident	28 Å²	28	73.1 Å²	73.1	17%	0.172	37%	0.374	C	S	.	.			trans	-95.9	143.3	174.9	-78.3	0	0	0	0	110.4	L726 R877 T908	T724-L726 HydrophobicContact CG2-CD2 4.15Å; T724-R877 WeakPolarHBondContact OG1-CB 3.36Å; T724-R877 WeakPolarHBondContact OG1-CD 2.74Å; T724-R877 WeakPolarHBondContact OG1-CG 3.49Å; T724-T908 PolarHBondContact O-N 3.5Å
725	V	80.1	Confident	83.3	Confident	27 Å²	27	73.1 Å²	73.1	16%	0.164	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-120.7	116.8	163.3	-178.3	0	0	0	0	106.7	Y905 G906 K958	V725-Y905 HydrophobicContact CG1-CE2 3.46Å; V725-Y905 VanDerWaalsContact CG1-CE2 3.46Å; V725-Y905 WeakPolarHBondContact CG1-OH 3.5Å; V725-G906 CarbonylContact C-O 3.57Å; V725-G906 WeakPolarHBondContact CA-O 3.5Å; V725-G906 WeakPolarHBondContact CG1-O 3.32Å; V725-K958 HydrophobicContact CB-CD 3.96Å; V725-K958 HydrophobicContact CB-CG 4.39Å; V725-K958 HydrophobicContact CG1-CB 3.83Å; V725-K958 HydrophobicContact CG1-CD 3.7Å; V725-K958 HydrophobicContact CG1-CG 3.58Å; V725-K958 PolarHBondContact O-NZ 3.45Å
726	L	87.9	Confident	84.8	Confident	24 Å²	24	66.5 Å²	66.5	13%	0.126	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-62.5	145.1	176.4	-62.7	-178.9	0	0	0	109.2	T724 P728 I880 K884 V903 G906	T724-L726 HydrophobicContact CG2-CD2 4.15Å; L726-P728 WeakPolarHBondContact O-CD 3.29Å; L726-I880 HydrophobicContact CD1-CG2 3.73Å; L726-I880 HydrophobicContact CD2-CG2 4.11Å; L726-I880 HydrophobicContact CG-CG2 3.73Å; L726-K884 HydrophobicContact CD1-CB 4.44Å; L726-K884 HydrophobicContact CD1-CD 4.16Å; L726-V903 HydrophobicContact CD1-CG1 4.22Å; L726-G906 PolarHBondContact N-O 3.33Å
727	E	90	Very high	86.6	Confident	141 Å²	141	57.2 Å²	57.2	66%	0.659	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-62.6	123.8	175.7	-73.5	-57.1	148.8	0	0	110.1	K958	E727-K958 WeakPolarHBondContact OE1-CE 3.33Å; E727-K958 IonicContact OE1-NZ 2.68Å; E727-K958 PolarHBondContact OE1-NZ 2.81Å; E727-K958 WeakPolarHBondContact OE2-CE 3.2Å; E727-K958 IonicContact OE2-NZ 2.96Å
728	P	92.8	Very high	88.3	Confident	14 Å²	14	55.6 Å²	55.6	9%	0.091	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-70.6	134.3	-179	27.4	-33.5	0	0	0	110.8	L726 K730 I904 Y905 L955 K958	L726-P728 WeakPolarHBondContact O-CD 3.29Å; P728-K730 VanDerWaalsContact C-N 3.34Å; P728-K730 HydrophobicContact CG-CG 4.5Å; P728-K730 PolarHBondContact O-N 3.01Å; P728-I904 WeakPolarHBondContact CA-O 3.34Å; P728-Y905 HydrophobicContact CB-CD2 3.69Å; P728-Y905 HydrophobicContact CB-CE2 4.3Å; P728-Y905 HydrophobicContact CB-CG 4.36Å; P728-Y905 HydrophobicContact CG-CD2 4.44Å; P728-L955 HydrophobicContact CB-CD1 3.87Å; P728-L955 HydrophobicContact CB-CD2 3.81Å; P728-L955 HydrophobicContact CB-CG 3.85Å; P728-K958 HydrophobicContact CG-CG 4.41Å
729	R	94.8	Very high	89.5	Confident	125 Å²	125	49.4 Å²	49.4	47%	0.472	24%	0.242	S	C	.	.			trans	-73.4	92.1	160.6	-61	-167.8	-167.2	-157	6.7	107.5	Y733 E888 V902 I904 L955	R729-Y733 WeakPolarHBondContact CB-OH 3.38Å; R729-Y733 PolarHBondContact O-OH 3.16Å; R729-E888 IonicContact NH2-OE1 3.95Å; R729-V902 VanDerWaalsContact NH2-CG1 3.35Å; R729-I904 HydrophobicContact CB-CB 4.24Å; R729-I904 PolarHBondContact N-O 3.02Å; R729-L955 VanDerWaalsContact O-CD2 3.28Å; R729-L955 WeakPolarHBondContact O-CD2 3.23Å
730	K	92.9	Very high	90.5	Very high	130 Å²	130	42.3 Å²	42.3	57%	0.565	21%	0.209	S	C	*	.			trans	-61.1	139.9	-175.9	-52.7	-177.9	-178.8	-174.1	0	110.9	P728 L955 I956 N957	P728-K730 VanDerWaalsContact C-N 3.34Å; P728-K730 HydrophobicContact CG-CG 4.5Å; P728-K730 PolarHBondContact O-N 3.01Å; K730-L955 WeakPolarHBondContact CA-O 3.3Å; K730-I956 WeakPolarHBondContact CD-O 3.39Å; K730-I956 WeakPolarHBondContact CE-O 3.47Å; K730-I956 WeakPolarHBondContact CG-O 3.5Å; K730-N957 WeakPolarHBondContact CE-OD1 3.34Å; K730-N957 PolarHBondContact NZ-OD1 3.01Å
731	G	93.1	Very high	91.3	Very high	15 Å²	15	42.2 Å²	42.2	16%	0.155	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.3	169.3	177.3	0	0	0	0	0	113.8	L955	G731-L955 PolarHBondContact N-O 2.92Å; G731-L955 PolarHBondContact O-N 3.36Å
732	F	95.1	Very high	91.8	Very high	46 Å²	46	38.2 Å²	38.2	20%	0.202	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	108.6	168.7	-177.8	-112.3	0	0	0	109.4	N734 P952 L954 I1002 L1003 I1125	F732-N734 WeakPolarHBondContact CE1-OD1 3.45Å; F732-P952 HydrophobicContact CE2-CB 3.99Å; F732-P952 HydrophobicContact CE2-CG 4.28Å; F732-P952 HydrophobicContact CZ-CB 3.9Å; F732-P952 HydrophobicContact CZ-CG 4.14Å; F732-L954 HydrophobicContact CB-CD1 4.33Å; F732-L954 HydrophobicContact CD2-CB 4.16Å; F732-L954 HydrophobicContact CD2-CD1 4.13Å; F732-I1002 HydrophobicContact CE2-CG2 3.77Å; F732-I1002 HydrophobicContact CZ-CG2 3.97Å; F732-L1003 HydrophobicContact CE2-CD2 3.85Å; F732-I1125 HydrophobicContact CB-CG1 4.03Å; F732-I1125 HydrophobicContact CD2-CG1 4.4Å; F732-I1125 HydrophobicContact CG-CG1 4.09Å
733	Y	95.4	Very high	92.3	Very high	32 Å²	32	39 Å²	39	13%	0.125	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	108.4	-178.8	-63.5	-91.5	0	0	0	109.5	R729 E735 I737 I904 K914 P952 Y953 L955	R729-Y733 WeakPolarHBondContact CB-OH 3.38Å; R729-Y733 PolarHBondContact O-OH 3.16Å; Y733-E735 VanDerWaalsContact C-N 3.27Å; Y733-I737 HydrophobicContact CD1-CD1 4.04Å; Y733-I737 HydrophobicContact CG-CD1 4.15Å; Y733-I737 HydrophobicContact CG-CG1 4.36Å; Y733-I904 HydrophobicContact CD1-CD1 4.33Å; Y733-I904 HydrophobicContact CD2-CD1 3.96Å; Y733-I904 HydrophobicContact CE1-CD1 4.06Å; Y733-I904 HydrophobicContact CE1-CG2 4.05Å; Y733-I904 HydrophobicContact CE2-CD1 3.67Å; Y733-I904 HydrophobicContact CG-CD1 4.28Å; Y733-K914 HydrophobicContact CD1-CD 4.33Å; Y733-K914 HydrophobicContact CE1-CD 4.23Å; Y733-P952 CarbonylContact O-C 3.49Å; Y733-P952 WeakPolarHBondContact O-CA 3.37Å; Y733-P952 VanDerWaalsContact O-CB 3.3Å; Y733-P952 WeakPolarHBondContact O-CB 3.48Å; Y733-Y953 WeakPolarHBondContact CB-O 3.46Å; Y733-Y953 HydrophobicContact CD2-CD1 4.14Å; Y733-Y953 PolarHBondContact N-O 3.34Å; Y733-Y953 PolarHBondContact O-N 3.4Å; Y733-L955 HydrophobicContact CD2-CB 4.42Å; Y733-L955 HydrophobicContact CE2-CB 4.09Å; Y733-L955 HydrophobicContact CE2-CD2 4.35Å
734	N	93.8	Very high	92.8	Very high	97 Å²	97	40.2 Å²	40.2	52%	0.519	20%	0.2	S	C	.	.			trans	-75.5	-19.8	172.1	-86.6	-36.4	0	0	0	113	F732 R1006	F732-N734 WeakPolarHBondContact CE1-OD1 3.45Å; N734-R1006 PolarHBondContact OD1-NH1 2.92Å
735	E	94.7	Very high	93.6	Very high	68 Å²	68	39.2 Å²	39.2	32%	0.318	19%	0.193	S	C	.	.	S	Bend	trans	-82.5	151.8	177.9	-58.9	166.3	-128.2	0	0	110.9	Y733 K914	Y733-E735 VanDerWaalsContact C-N 3.27Å; E735-K914 VanDerWaalsContact CD-NZ 3.34Å; E735-K914 WeakPolarHBondContact OE1-CE 3.48Å; E735-K914 IonicContact OE1-NZ 3.55Å; E735-K914 PolarHBondContact OE1-NZ 3.2Å; E735-K914 WeakPolarHBondContact OE2-CE 3.25Å; E735-K914 IonicContact OE2-NZ 2.81Å; E735-K914 PolarHBondContact OE2-NZ 2.97Å; E735-K914 VanDerWaalsContact OE2-NZ 3.15Å
736	P	97.5	Very high	94.3	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.013	19%	0.192	C	C	.	.			trans	-61	132.7	173.8	-18.7	28.7	0	0	0	113.7	V917 V920 A923 V949 Y950 C951	P736-V917 WeakPolarHBondContact CD-O 3.34Å; P736-V920 HydrophobicContact CB-CG2 4.46Å; P736-V920 HydrophobicContact CG-CG2 4.28Å; P736-A923 HydrophobicContact CB-CB 3.69Å; P736-V949 HydrophobicContact CB-CG1 3.69Å; P736-Y950 WeakPolarHBondContact CA-O 3.43Å; P736-C951 HydrophobicContact CB-CB 4.21Å; P736-C951 HydrophobicContact CG-CB 4.32Å
737	I	98.1	Very high	94.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	116.5	177	-56.2	-56.2	0	0	0	109.2	Y733 I904 M912 K914 V949 Y950 Y953	Y733-I737 HydrophobicContact CD1-CD1 4.04Å; Y733-I737 HydrophobicContact CG-CD1 4.15Å; Y733-I737 HydrophobicContact CG-CG1 4.36Å; I737-I904 HydrophobicContact CD1-CD1 3.87Å; I737-I904 HydrophobicContact CG1-CD1 4.03Å; I737-I904 HydrophobicContact CG2-CD1 3.86Å; I737-I904 HydrophobicContact CG2-CG1 4.33Å; I737-M912 HydrophobicContact CG2-CB 3.84Å; I737-K914 HydrophobicContact CD1-CB 3.8Å; I737-K914 HydrophobicContact CD1-CG 3.96Å; I737-V949 CarbonylContact O-C 3.53Å; I737-V949 VanDerWaalsContact O-CA 3.29Å; I737-V949 WeakPolarHBondContact O-CA 3.39Å; I737-Y950 PolarHBondContact N-O 2.98Å; I737-Y950 PolarHBondContact O-N 3.16Å; I737-Y953 HydrophobicContact CB-CD1 4.33Å; I737-Y953 HydrophobicContact CB-CG 4.47Å; I737-Y953 HydrophobicContact CG1-CD1 3.97Å; I737-Y953 HydrophobicContact CG1-CG 4.23Å; I737-Y953 HydrophobicContact CG2-CD1 4.3Å
738	A	98.1	Very high	95	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	139.5	178.4	0	0	0	0	0	111	M912 C913 F915 F946 V949	A738-M912 CarbonylContact O-C 3.51Å; A738-M912 WeakPolarHBondContact O-CA 3.29Å; A738-C913 PolarHBondContact N-O 3.26Å; A738-C913 PolarHBondContact O-N 2.85Å; A738-F915 HydrophobicContact CB-CD2 4.01Å; A738-F915 HydrophobicContact CB-CE2 3.7Å; A738-F946 HydrophobicContact CB-CE2 4.4Å; A738-V949 HydrophobicContact CB-CG2 4.22Å
739	T	97.4	Very high	95.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.7	175.4	-53.1	0	0	0	0	109.4	V911 M912 E947 K948	T739-V911 WeakPolarHBondContact CA-O 3.44Å; T739-M912 HydrophobicContact CG2-CE 3.94Å; T739-M912 HydrophobicContact CG2-CG 4.48Å; T739-E947 PolarHBondContact O-N 2.96Å; T739-K948 HydrophobicContact CG2-CG 4.44Å; T739-K948 PolarHBondContact N-O 2.98Å
740	L	97.2	Very high	95.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	134.2	171.9	-44.5	179.1	0	0	0	108	V887 S910 V911 G927 A930 A931 L944 E945 F946	L740-V887 HydrophobicContact CD1-CG2 4.39Å; L740-S910 CarbonylContact O-C 3.59Å; L740-S910 VanDerWaalsContact O-CA 3.24Å; L740-S910 WeakPolarHBondContact O-CA 3.32Å; L740-V911 HydrophobicContact CB-CG2 3.85Å; L740-V911 HydrophobicContact CD1-CG2 4.26Å; L740-V911 HydrophobicContact CG-CG2 4.26Å; L740-V911 PolarHBondContact N-O 2.93Å; L740-V911 PolarHBondContact O-N 2.96Å; L740-G927 VanDerWaalsContact CD2-O 3.23Å; L740-G927 WeakPolarHBondContact CD2-O 3.47Å; L740-A930 HydrophobicContact CD1-CB 3.81Å; L740-A931 HydrophobicContact CD2-CB 4.36Å; L740-L944 HydrophobicContact CB-CD2 3.82Å; L740-L944 HydrophobicContact CD1-CD2 4.2Å; L740-E945 WeakPolarHBondContact CA-O 3.4Å; L740-F946 HydrophobicContact CD2-CB 4.46Å; L740-F946 HydrophobicContact CD2-CD2 4.32Å
741	D	94.8	Very high	95.6	Very high	37 Å²	37	20.8 Å²	20.8	20%	0.198	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.9	-176.2	-174	33.3	0	0	0	111.5	D909 L944 E945 E947	D741-D909 WeakPolarHBondContact OD1-CB 3.41Å; D741-L944 CarbonylContact O-C 3.58Å; D741-L944 WeakPolarHBondContact O-CA 3.28Å; D741-E945 PolarHBondContact N-O 2.92Å; D741-E945 PolarHBondContact O-N 2.82Å; D741-E947 HydrophobicContact CB-CB 4.45Å
742	F	95	Very high	95.8	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.018	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	121.2	176.6	-81.9	-75.9	0	0	0	111.3	S744 L745 M879 I880 T883 D909 F938 I942 L944	F742-S744 PolarHBondContact O-N 3.12Å; F742-L745 HydrophobicContact CB-CB 3.84Å; F742-L745 HydrophobicContact CB-CD1 3.7Å; F742-L745 HydrophobicContact CB-CG 4.27Å; F742-L745 HydrophobicContact CD1-CD1 4.14Å; F742-L745 HydrophobicContact CD2-CD1 3.88Å; F742-L745 HydrophobicContact CG-CD1 3.67Å; F742-M879 HydrophobicContact CD1-CE 3.69Å; F742-M879 HydrophobicContact CD2-CE 4.41Å; F742-M879 HydrophobicContact CE1-CE 3.26Å; F742-M879 HydrophobicContact CE2-CB 4.09Å; F742-M879 HydrophobicContact CE2-CE 4.07Å; F742-M879 HydrophobicContact CG-CE 4.26Å; F742-M879 HydrophobicContact CZ-CB 3.84Å; F742-M879 HydrophobicContact CZ-CE 3.49Å; F742-M879 VanDerWaalsContact CZ-CE 3.49Å; F742-I880 HydrophobicContact CD2-CD1 4.21Å; F742-I880 HydrophobicContact CE2-CD1 4.03Å; F742-T883 WeakPolarHBondContact CZ-OG1 3.21Å; F742-D909 HydrophobicContact CB-CB 4.27Å; F742-D909 VanDerWaalsContact CD2-O 3.27Å; F742-D909 WeakPolarHBondContact CD2-O 3.24Å; F742-D909 PolarHBondContact N-O 2.81Å; F742-F938 AromaticContact CE1-CD2 3.97Å; F742-F938 HydrophobicContact CE1-CD2 3.97Å; F742-F938 AromaticContact CE1-CE2 3.83Å; F742-F938 HydrophobicContact CE1-CE2 3.83Å; F742-F938 HydrophobicContact CE1-CZ 4.33Å; F742-F938 HydrophobicContact CZ-CD2 4.3Å; F742-F938 AromaticContact CZ-CE2 3.7Å; F742-F938 HydrophobicContact CZ-CE2 3.7Å; F742-F938 AromaticContact CZ-CZ 3.86Å; F742-F938 HydrophobicContact CZ-CZ 3.86Å; F742-I942 HydrophobicContact CD1-CG2 3.84Å; F742-I942 HydrophobicContact CE1-CG2 3.67Å; F742-L944 HydrophobicContact CD1-CD1 3.82Å; F742-L944 HydrophobicContact CD1-CG 4Å; F742-L944 HydrophobicContact CE1-CD1 3.19Å; F742-L944 HydrophobicContact CE1-CG 3.83Å; F742-L944 HydrophobicContact CE2-CD1 4.33Å; F742-L944 HydrophobicContact CE2-CG 4.46Å; F742-L944 HydrophobicContact CG-CG 4.4Å; F742-L944 HydrophobicContact CZ-CD1 3.5Å; F742-L944 VanDerWaalsContact CZ-CD1 3.5Å; F742-L944 HydrophobicContact CZ-CG 4.06Å
743	A	91.8	Very high	95.9	Very high	20 Å²	20	21.2 Å²	21.2	17%	0.165	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	109.2	177.7	0	0	0	0	0	111.5	L745 S748 R943 E945	A743-L745 PolarHBondContact O-N 3.32Å; A743-S748 PolarHBondContact O-OG 3.3Å; A743-R943 HydrophobicContact CB-CG 3.89Å; A743-R943 PolarHBondContact N-O 3.38Å; A743-R943 VanDerWaalsContact N-O 3.1Å; A743-E945 HydrophobicContact CB-CG 4.18Å; A743-E945 WeakPolarHBondContact CB-OE1 3.34Å
744	S	91.3	Very high	96	Very high	34 Å²	34	19.9 Å²	19.9	24%	0.238	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	53.5	179.3	-51.6	0	0	0	0	112.2	F742 Y746 P747 S748	F742-S744 PolarHBondContact O-N 3.12Å; S744-Y746 PolarHBondContact O-N 3.47Å; S744-P747 VanDerWaalsContact O-CD 3.23Å; S744-P747 WeakPolarHBondContact O-CD 3.41Å; S744-S748 WeakPolarHBondContact O-CB 3.36Å; S744-S748 PolarHBondContact O-N 3.43Å; S744-S748 PolarHBondContact O-OG 2.97Å; S744-S748 VanDerWaalsContact O-OG 3.08Å
745	L	93.7	Very high	96.2	Very high	7 Å²	7	15.3 Å²	15.3	4%	0.037	9%	0.085	C	C	.	.	H	α-helix	trans	-41.9	-59	-169.6	178.5	63.6	0	0	0	114.1	F742 A743 S748 I749 M879 D909	F742-L745 HydrophobicContact CB-CB 3.84Å; F742-L745 HydrophobicContact CB-CD1 3.7Å; F742-L745 HydrophobicContact CB-CG 4.27Å; F742-L745 HydrophobicContact CD1-CD1 4.14Å; F742-L745 HydrophobicContact CD2-CD1 3.88Å; F742-L745 HydrophobicContact CG-CD1 3.67Å; A743-L745 PolarHBondContact O-N 3.32Å; L745-S748 WeakPolarHBondContact O-CB 3.39Å; L745-S748 PolarHBondContact O-N 3.49Å; L745-I749 HydrophobicContact CD1-CD1 3.69Å; L745-I749 HydrophobicContact CD1-CG1 4.17Å; L745-I749 HydrophobicContact CG-CD1 3.86Å; L745-I749 WeakPolarHBondContact O-CG1 3.37Å; L745-I749 PolarHBondContact O-N 3.03Å; L745-M879 HydrophobicContact CD1-CE 3.38Å; L745-M879 HydrophobicContact CD1-SD 4.11Å; L745-D909 HydrophobicContact CB-CB 4.01Å; L745-D909 HydrophobicContact CD2-CB 3.79Å; L745-D909 HydrophobicContact CG-CB 4.49Å
746	Y	94.8	Very high	96.4	Very high	34 Å²	34	12 Å²	12	13%	0.133	7%	0.07	C	C	.	.	H	α-helix	trans	-66	-49.2	-174.5	-63.4	-18.1	0	0	0	113.2	S744 S748 I749 M750 Y853 V872	S744-Y746 PolarHBondContact O-N 3.47Å; Y746-S748 VanDerWaalsContact C-N 3.25Å; Y746-S748 PolarHBondContact O-N 2.92Å; Y746-I749 HydrophobicContact CD1-CD1 4.46Å; Y746-I749 PolarHBondContact O-N 3.25Å; Y746-M750 WeakPolarHBondContact O-CG 3.48Å; Y746-M750 PolarHBondContact O-N 3.24Å; Y746-Y853 AromaticContact CD2-CD1 3.41Å; Y746-Y853 HydrophobicContact CD2-CD1 3.41Å; Y746-Y853 VanDerWaalsContact CD2-CD1 3.41Å; Y746-Y853 HydrophobicContact CD2-CD2 4.26Å; Y746-Y853 AromaticContact CD2-CE1 3.64Å; Y746-Y853 HydrophobicContact CD2-CE1 3.64Å; Y746-Y853 HydrophobicContact CD2-CE2 4.45Å; Y746-Y853 AromaticContact CD2-CG 3.75Å; Y746-Y853 HydrophobicContact CD2-CG 3.75Å; Y746-Y853 AromaticContact CE2-CD1 3.83Å; Y746-Y853 HydrophobicContact CE2-CD1 3.83Å; Y746-Y853 AromaticContact CE2-CE1 3.52Å; Y746-Y853 HydrophobicContact CE2-CE1 3.52Å; Y746-Y853 HydrophobicContact CE2-CG 4.45Å; Y746-Y853 AromaticContact CE2-CZ 3.92Å; Y746-Y853 HydrophobicContact CG-CD1 4.38Å; Y746-Y853 HydrophobicContact CG-CG 4.3Å; Y746-V872 HydrophobicContact CD1-CG1 3.53Å; Y746-V872 HydrophobicContact CE1-CG1 4.27Å; Y746-V872 HydrophobicContact CG-CG1 3.7Å
747	P	95.8	Very high	96.3	Very high	3 Å²	3	12 Å²	12	2%	0.019	7%	0.069	C	C	.	.	H	α-helix	trans	-49.4	-45.1	167.9	-33.3	37.1	0	0	0	114.1	S744 M750 M751 L812 L816	S744-P747 VanDerWaalsContact O-CD 3.23Å; S744-P747 WeakPolarHBondContact O-CD 3.41Å; P747-M750 PolarHBondContact O-N 3.23Å; P747-M751 WeakPolarHBondContact O-CE 3.44Å; P747-M751 WeakPolarHBondContact O-CG 3.32Å; P747-M751 PolarHBondContact O-N 3.33Å; P747-L812 HydrophobicContact CB-CD1 4.35Å; P747-L812 HydrophobicContact CB-CD2 3.95Å; P747-L812 HydrophobicContact CG-CD2 4.15Å; P747-L816 HydrophobicContact CB-CD1 4.02Å
748	S	96.4	Very high	96.2	Very high	6 Å²	6	12 Å²	12	4%	0.042	7%	0.07	C	C	.	.	H	α-helix	trans	-65.3	-41.7	-178.1	-64.9	0	0	0	0	112.4	A743 S744 L745 Y746 M751 A752	A743-S748 PolarHBondContact O-OG 3.3Å; S744-S748 WeakPolarHBondContact O-CB 3.36Å; S744-S748 PolarHBondContact O-N 3.43Å; S744-S748 PolarHBondContact O-OG 2.97Å; S744-S748 VanDerWaalsContact O-OG 3.08Å; L745-S748 WeakPolarHBondContact O-CB 3.39Å; L745-S748 PolarHBondContact O-N 3.49Å; Y746-S748 VanDerWaalsContact C-N 3.25Å; Y746-S748 PolarHBondContact O-N 2.92Å; S748-M751 PolarHBondContact O-N 3.1Å; S748-A752 VanDerWaalsContact O-CB 3.26Å; S748-A752 WeakPolarHBondContact O-CB 3.25Å; S748-A752 PolarHBondContact O-N 2.92Å
749	I	97.4	Very high	96.2	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.3	-47.1	174	-69.8	168.3	0	0	0	111.1	L745 Y746 M751 A752 H753 L755 V872 F875 M879 I942	L745-I749 HydrophobicContact CD1-CD1 3.69Å; L745-I749 HydrophobicContact CD1-CG1 4.17Å; L745-I749 HydrophobicContact CG-CD1 3.86Å; L745-I749 WeakPolarHBondContact O-CG1 3.37Å; L745-I749 PolarHBondContact O-N 3.03Å; Y746-I749 HydrophobicContact CD1-CD1 4.46Å; Y746-I749 PolarHBondContact O-N 3.25Å; I749-M751 VanDerWaalsContact C-N 3.29Å; I749-M751 PolarHBondContact O-N 3.38Å; I749-A752 PolarHBondContact O-N 3.38Å; I749-H753 WeakPolarHBondContact O-CB 3.28Å; I749-H753 PolarHBondContact O-CD2 2.89Å; I749-H753 PolarHBondContact O-N 2.97Å; I749-L755 HydrophobicContact CG2-CD1 4.03Å; I749-V872 HydrophobicContact CG2-CB 4.43Å; I749-V872 HydrophobicContact CG2-CG1 4.37Å; I749-V872 HydrophobicContact CG2-CG2 4.31Å; I749-F875 HydrophobicContact CD1-CB 4.03Å; I749-F875 HydrophobicContact CG1-CB 4.35Å; I749-F875 HydrophobicContact CG2-CB 3.72Å; I749-F875 HydrophobicContact CG2-CD2 3.9Å; I749-F875 HydrophobicContact CG2-CG 4.13Å; I749-M879 HydrophobicContact CD1-SD 3.72Å; I749-M879 HydrophobicContact CG1-CE 4.38Å; I749-M879 HydrophobicContact CG1-SD 3.68Å; I749-I942 HydrophobicContact CG1-CD1 4.21Å
750	M	98.1	Very high	96.2	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-59.3	-41.9	179.8	-70	178.7	70	0	0	111.4	Y746 P747 N754 L755 L808 L812 V852 I868 V872	Y746-M750 WeakPolarHBondContact O-CG 3.48Å; Y746-M750 PolarHBondContact O-N 3.24Å; P747-M750 PolarHBondContact O-N 3.23Å; M750-N754 CarbonylContact O-C 3.5Å; M750-N754 WeakPolarHBondContact O-CA 3.28Å; M750-N754 PolarHBondContact O-N 3.17Å; M750-N754 VanDerWaalsContact O-N 3.08Å; M750-L755 HydrophobicContact CG-CB 4.49Å; M750-L755 PolarHBondContact O-N 3.26Å; M750-L808 HydrophobicContact CE-CB 3.89Å; M750-L808 HydrophobicContact CE-CD1 3.57Å; M750-L808 HydrophobicContact CE-CG 4.32Å; M750-L812 HydrophobicContact CB-CD1 3.64Å; M750-L812 HydrophobicContact CE-CD1 4.12Å; M750-L812 HydrophobicContact CG-CD1 4.35Å; M750-L812 HydrophobicContact SD-CD1 3.91Å; M750-V852 HydrophobicContact CE-CG1 4.08Å; M750-I868 HydrophobicContact CE-CG2 4.03Å; M750-V872 HydrophobicContact CG-CG2 3.43Å; M750-V872 VanDerWaalsContact CG-CG2 3.43Å; M750-V872 HydrophobicContact SD-CG2 4.23Å
751	M	97.7	Very high	96.1	Very high	31 Å²	31	12.4 Å²	12.4	15%	0.153	7%	0.072	C	C	.	.	H	α-helix	trans	-69.7	-49.7	176.3	-69.2	-176.6	-67.2	0	0	112.8	P747 S748 I749 H753 N754 P809 L812 Q813 L816 P941	P747-M751 WeakPolarHBondContact O-CE 3.44Å; P747-M751 WeakPolarHBondContact O-CG 3.32Å; P747-M751 PolarHBondContact O-N 3.33Å; S748-M751 PolarHBondContact O-N 3.1Å; I749-M751 VanDerWaalsContact C-N 3.29Å; I749-M751 PolarHBondContact O-N 3.38Å; M751-H753 VanDerWaalsContact C-N 3.28Å; M751-H753 PolarHBondContact O-N 2.95Å; M751-N754 PolarHBondContact O-N 3.49Å; M751-P809 HydrophobicContact CG-CB 4.37Å; M751-L812 HydrophobicContact CG-CB 3.97Å; M751-L812 HydrophobicContact CG-CD1 4.45Å; M751-L812 HydrophobicContact SD-CB 4.02Å; M751-Q813 HydrophobicContact SD-CB 4.02Å; M751-L816 HydrophobicContact CE-CD1 3.35Å; M751-L816 HydrophobicContact SD-CD1 4.21Å; M751-P941 HydrophobicContact CB-CG 4.18Å; M751-P941 HydrophobicContact CE-CG 3.56Å; M751-P941 HydrophobicContact SD-CG 4.38Å
752	A	97.2	Very high	95.8	Very high	29 Å²	29	13 Å²	13	24%	0.24	7%	0.073	C	C	.	.	H	α-helix	trans	-62.2	-36.4	-175.5	0	0	0	0	0	112.6	S748 I749 P939 I942	S748-A752 VanDerWaalsContact O-CB 3.26Å; S748-A752 WeakPolarHBondContact O-CB 3.25Å; S748-A752 PolarHBondContact O-N 2.92Å; I749-A752 PolarHBondContact O-N 3.38Å; A752-P939 HydrophobicContact CB-CB 4.33Å; A752-P939 HydrophobicContact CB-CG 4.13Å; A752-I942 HydrophobicContact CB-CD1 3.75Å; A752-I942 HydrophobicContact CB-CG1 3.95Å
753	H	97.7	Very high	95.2	Very high	40 Å²	40	14.6 Å²	14.6	19%	0.185	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	8.7	-178.9	-63.3	-70.2	0	0	0	113.5	I749 M751 L755 I790 F875	I749-H753 WeakPolarHBondContact O-CB 3.28Å; I749-H753 PolarHBondContact O-CD2 2.89Å; I749-H753 PolarHBondContact O-N 2.97Å; M751-H753 VanDerWaalsContact C-N 3.28Å; M751-H753 PolarHBondContact O-N 2.95Å; H753-L755 VanDerWaalsContact C-N 3.28Å; H753-L755 HydrophobicContact CB-CD1 4.39Å; H753-L755 HydrophobicContact CB-CD2 3.92Å; H753-L755 HydrophobicContact CB-CG 3.9Å; H753-L755 PolarHBondContact O-N 2.73Å; H753-I790 HydrophobicContact CB-CD1 3.68Å; H753-I790 VanDerWaalsContact O-CD1 3.28Å; H753-I790 WeakPolarHBondContact O-CD1 3.31Å; H753-F875 HydrophobicContact CB-CE2 4.19Å; H753-F875 HydrophobicContact CB-CZ 4.48Å; H753-F875 AromaticContact CE1-CE1 3.75Å; H753-F875 AromaticContact CG-CE2 3.92Å; H753-F875 AromaticContact CG-CZ 3.89Å; H753-F875 AromaticContact ND1-CZ 3.81Å; H753-F875 AromaticContact NE2-CD1 3.85Å; H753-F875 AromaticContact NE2-CE1 3.87Å
754	N	98	Very high	94.2	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.027	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	40.7	177.9	-163.2	43.1	0	0	0	113.9	M750 M751 C756 T759 V799 S801 C804 G806	M750-N754 CarbonylContact O-C 3.5Å; M750-N754 WeakPolarHBondContact O-CA 3.28Å; M750-N754 PolarHBondContact O-N 3.17Å; M750-N754 VanDerWaalsContact O-N 3.08Å; M751-N754 PolarHBondContact O-N 3.49Å; N754-C756 PolarHBondContact O-N 3.11Å; N754-T759 VanDerWaalsContact ND2-CG2 3.31Å; N754-T759 WeakPolarHBondContact ND2-CG2 3.47Å; N754-T759 PolarHBondContact O-OG1 3.35Å; N754-V799 PolarHBondContact ND2-O 2.81Å; N754-S801 PolarHBondContact ND2-N 3.01Å; N754-C804 PolarHBondContact ND2-O 3.4Å; N754-G806 PolarHBondContact OD1-N 3.49Å
755	L	98.2	Very high	92.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.			trans	-78.4	107.3	-174.8	-53.7	-179.1	0	0	0	110.7	I749 M750 H753 I790 T792 F798 I868 V872 F875	I749-L755 HydrophobicContact CG2-CD1 4.03Å; M750-L755 HydrophobicContact CG-CB 4.49Å; M750-L755 PolarHBondContact O-N 3.26Å; H753-L755 VanDerWaalsContact C-N 3.28Å; H753-L755 HydrophobicContact CB-CD1 4.39Å; H753-L755 HydrophobicContact CB-CD2 3.92Å; H753-L755 HydrophobicContact CB-CG 3.9Å; H753-L755 PolarHBondContact O-N 2.73Å; L755-I790 HydrophobicContact CD2-CD1 4.24Å; L755-T792 HydrophobicContact CD2-CG2 4.17Å; L755-F798 HydrophobicContact CD2-CD1 4.32Å; L755-F798 HydrophobicContact CD2-CD2 3.61Å; L755-F798 HydrophobicContact CD2-CE1 4.45Å; L755-F798 HydrophobicContact CD2-CE2 3.78Å; L755-F798 HydrophobicContact CD2-CG 3.9Å; L755-F798 HydrophobicContact CD2-CZ 4.2Å; L755-I868 HydrophobicContact CB-CG2 4.33Å; L755-V872 HydrophobicContact CD1-CG2 3.61Å; L755-F875 HydrophobicContact CD1-CD2 4.37Å; L755-F875 HydrophobicContact CD1-CE2 4.46Å
756	C	97.8	Very high	90.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.			trans	-150.9	159.5	-175.6	-173	0	0	0	0	111.6	N754 T758 T759 L760 I807 L808	N754-C756 PolarHBondContact O-N 3.11Å; C756-T758 VanDerWaalsContact C-N 3.28Å; C756-T758 PolarHBondContact O-N 3.32Å; C756-T758 PolarHBondContact SG-OG1 2.86Å; C756-T759 HydrophobicContact CB-CG2 4.1Å; C756-T759 WeakPolarHBondContact CB-OG1 3.31Å; C756-T759 PolarHBondContact N-OG1 3.41Å; C756-T759 VanDerWaalsContact N-OG1 3.14Å; C756-T759 PolarHBondContact O-N 2.85Å; C756-T759 PolarHBondContact O-OG1 3.44Å; C756-L760 PolarHBondContact O-N 3Å; C756-I807 PolarHBondContact SG-N 3.46Å; C756-L808 HydrophobicContact CB-CB 4.29Å; C756-L808 PolarHBondContact SG-N 3.06Å
757	Y	96.4	Very high	88.4	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-55.3	-44.9	168.8	-54.6	-80.8	0	0	0	111.5	I297 Y298 G299 L698 T759 L760 L808 F855 L863 C865 I868	I297-Y757 CarbonylContact O-C 3.51Å; I297-Y757 WeakPolarHBondContact O-CB 3.5Å; Y298-Y757 AromaticContact CD2-CD1 3.77Å; Y298-Y757 HydrophobicContact CD2-CD1 3.77Å; Y298-Y757 HydrophobicContact CD2-CE1 4.38Å; Y298-Y757 AromaticContact CE2-CD1 3.83Å; Y298-Y757 HydrophobicContact CE2-CD1 3.83Å; Y298-Y757 HydrophobicContact CE2-CE1 4.14Å; G299-Y757 CarbonylContact C-O 3.55Å; G299-Y757 WeakPolarHBondContact CA-O 3.39Å; G299-Y757 PolarHBondContact N-O 3.14Å; L698-Y757 HydrophobicContact CD1-CE2 4.07Å; L698-Y757 HydrophobicContact CD2-CE2 4.39Å; Y757-T759 PolarHBondContact O-N 3.14Å; Y757-L760 PolarHBondContact O-N 2.87Å; Y757-L808 HydrophobicContact CD2-CD1 3.88Å; Y757-L808 HydrophobicContact CD2-CD2 4.42Å; Y757-L808 HydrophobicContact CD2-CG 4.02Å; Y757-L808 HydrophobicContact CE2-CD1 3.6Å; Y757-L808 HydrophobicContact CE2-CD2 3.98Å; Y757-L808 HydrophobicContact CE2-CG 3.94Å; Y757-F855 WeakPolarHBondContact OH-CD1 3.15Å; Y757-F855 WeakPolarHBondContact OH-CE1 3.21Å; Y757-L863 HydrophobicContact CD1-CD2 4.16Å; Y757-L863 HydrophobicContact CD1-CG 4.3Å; Y757-L863 HydrophobicContact CD2-CD2 4.27Å; Y757-L863 HydrophobicContact CE1-CD2 3.9Å; Y757-L863 HydrophobicContact CE1-CG 3.8Å; Y757-L863 WeakPolarHBondContact CE1-O 3.37Å; Y757-L863 HydrophobicContact CE2-CD2 4.03Å; Y757-L863 HydrophobicContact CG-CD2 4.35Å; Y757-L863 PolarHBondContact OH-O 3.47Å; Y757-C865 HydrophobicContact CD1-CB 3.9Å; Y757-C865 HydrophobicContact CE1-CB 3.45Å; Y757-C865 VanDerWaalsContact CE1-CB 3.45Å; Y757-I868 HydrophobicContact CD1-CD1 4.15Å; Y757-I868 HydrophobicContact CE1-CD1 4.28Å; Y757-I868 HydrophobicContact CG-CD1 4.28Å
758	T	96.6	Very high	85.9	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.006	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-70.8	-15.7	-175.3	57.5	0	0	0	0	113.5	I297 F300 Y707 C756 I807	I297-T758 HydrophobicContact CB-CG2 4.42Å; I297-T758 HydrophobicContact CG1-CG2 3.48Å; I297-T758 VanDerWaalsContact CG1-CG2 3.48Å; I297-T758 WeakPolarHBondContact O-CA 3.12Å; I297-T758 PolarHBondContact O-N 3.37Å; I297-T758 VanDerWaalsContact O-N 3.13Å; F300-T758 WeakPolarHBondContact CA-O 3.46Å; F300-T758 WeakPolarHBondContact CB-O 3.39Å; F300-T758 WeakPolarHBondContact CD2-O 3.28Å; Y707-T758 HydrophobicContact CD1-CG2 3.9Å; Y707-T758 HydrophobicContact CD2-CG2 4.24Å; Y707-T758 HydrophobicContact CE1-CG2 3.59Å; Y707-T758 HydrophobicContact CE2-CG2 3.97Å; Y707-T758 HydrophobicContact CG-CG2 4.22Å; C756-T758 VanDerWaalsContact C-N 3.28Å; C756-T758 PolarHBondContact O-N 3.32Å; C756-T758 PolarHBondContact SG-OG1 2.86Å; T758-I807 HydrophobicContact CG2-CG1 3.82Å
759	T	97.6	Very high	83.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-107.9	-7.6	-175.6	61.3	0	0	0	0	112.2	N754 C756 Y757 L761 F798 V799 C804	N754-T759 VanDerWaalsContact ND2-CG2 3.31Å; N754-T759 WeakPolarHBondContact ND2-CG2 3.47Å; N754-T759 PolarHBondContact O-OG1 3.35Å; C756-T759 HydrophobicContact CB-CG2 4.1Å; C756-T759 WeakPolarHBondContact CB-OG1 3.31Å; C756-T759 PolarHBondContact N-OG1 3.41Å; C756-T759 VanDerWaalsContact N-OG1 3.14Å; C756-T759 PolarHBondContact O-N 2.85Å; C756-T759 PolarHBondContact O-OG1 3.44Å; Y757-T759 PolarHBondContact O-N 3.14Å; T759-L761 PolarHBondContact O-N 2.84Å; T759-F798 CarbonylContact O-C 3.5Å; T759-F798 WeakPolarHBondContact O-CA 3.36Å; T759-V799 HydrophobicContact CG2-CG2 4.09Å; T759-V799 PolarHBondContact O-N 3.36Å; T759-C804 HydrophobicContact CG2-CB 4.47Å; T759-C804 WeakPolarHBondContact CG2-O 3.44Å
760	L	96.8	Very high	80.5	Confident	4 Å²	4	44 Å²	44	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	121.6	-177.5	177.2	65.3	0	0	0	112.4	G299 F300 C756 Y757 Q762 F798 E867	G299-L760 CarbonylContact C-O 3.4Å; G299-L760 WeakPolarHBondContact CA-O 3.45Å; F300-L760 PolarHBondContact N-O 2.99Å; C756-L760 PolarHBondContact O-N 3Å; Y757-L760 PolarHBondContact O-N 2.87Å; L760-Q762 HydrophobicContact CD2-CG 4.18Å; L760-Q762 HydrophobicContact CG-CG 4.19Å; L760-Q762 PolarHBondContact O-N 3.2Å; L760-F798 HydrophobicContact CB-CD1 4.1Å; L760-F798 HydrophobicContact CB-CE1 3.85Å; L760-F798 HydrophobicContact CD1-CD1 4.27Å; L760-F798 HydrophobicContact CD1-CE1 3.7Å; L760-F798 HydrophobicContact CD1-CE2 4.23Å; L760-F798 HydrophobicContact CD1-CZ 3.68Å; L760-F798 HydrophobicContact CG-CE1 4.35Å; L760-E867 HydrophobicContact CD1-CB 3.83Å; L760-E867 HydrophobicContact CD1-CG 4.17Å; L760-E867 HydrophobicContact CD2-CB 4.31Å; L760-E867 HydrophobicContact CD2-CG 4.44Å
761	L	94.8	Very high	77.7	Confident	4 Å²	4	51.1 Å²	51.1	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	104.9	171	-68.9	169.7	0	0	0	109.6	F300 T759 V763 I775 L778 Y782 L784 Y789 Y797 V799	F300-L761 HydrophobicContact CB-CD2 4.21Å; F300-L761 HydrophobicContact CD1-CD2 3.74Å; F300-L761 HydrophobicContact CG-CD2 4.4Å; T759-L761 PolarHBondContact O-N 2.84Å; L761-V763 PolarHBondContact O-N 2.93Å; L761-I775 HydrophobicContact CB-CD1 4.43Å; L761-I775 HydrophobicContact CD1-CD1 3.88Å; L761-L778 HydrophobicContact CB-CD1 3.93Å; L761-L778 HydrophobicContact CD2-CB 4.4Å; L761-L778 HydrophobicContact CD2-CD1 4.41Å; L761-Y782 HydrophobicContact CD2-CD2 4.21Å; L761-Y782 HydrophobicContact CD2-CE2 4.42Å; L761-L784 HydrophobicContact CD1-CD1 4.23Å; L761-L784 HydrophobicContact CD2-CD1 4.13Å; L761-Y789 HydrophobicContact CD1-CG 4.16Å; L761-Y797 PolarHBondContact N-O 3.31Å; L761-V799 HydrophobicContact CD1-CG1 4.01Å; L761-V799 HydrophobicContact CD2-CG1 4.06Å; L761-V799 HydrophobicContact CG-CG1 4.06Å
762	Q	89.3	Confident	75.6	Confident	49 Å²	49	52.8 Å²	52.8	23%	0.229	34%	0.335	C	S	.	.			trans	-79	81.2	-173.7	-63.6	-177.9	-80.7	0	0	112.6	L760 N764 T765	L760-Q762 HydrophobicContact CD2-CG 4.18Å; L760-Q762 HydrophobicContact CG-CG 4.19Å; L760-Q762 PolarHBondContact O-N 3.2Å; Q762-N764 VanDerWaalsContact C-N 3.31Å; Q762-N764 PolarHBondContact O-N 3.28Å; Q762-T765 PolarHBondContact O-N 3.35Å
763	V	82.6	Confident	74	Confident	39 Å²	39	53.5 Å²	53.5	24%	0.236	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-31.2	-174.3	-177.3	0	0	0	0	113.7	L761 I775 L778 Y797	L761-V763 PolarHBondContact O-N 2.93Å; V763-I775 HydrophobicContact CG2-CB 4.48Å; V763-I775 HydrophobicContact CG2-CD1 4.33Å; V763-L778 HydrophobicContact CG2-CD1 4.16Å; V763-Y797 HydrophobicContact CG2-CD2 3.61Å; V763-Y797 HydrophobicContact CG2-CE2 4.14Å; V763-Y797 HydrophobicContact CG2-CG 4.37Å
764	N	71	Confident	73.3	Confident	161 Å²	161	53.1 Å²	53.1	86%	0.861	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-9	-177	-65.4	-23.3	0	0	0	113.7	Q762	Q762-N764 VanDerWaalsContact C-N 3.31Å; Q762-N764 PolarHBondContact O-N 3.28Å
765	T	60.1	Low	72.9	Confident	86 Å²	86	53.9 Å²	53.9	53%	0.528	36%	0.356	S	S	.	.			trans	-108.6	103.8	-173	-28.6	0	0	0	0	109.6	Q762	Q762-T765 PolarHBondContact O-N 3.35Å
766	T	49.9	Very low	72.4	Confident	53 Å²	53	58.6 Å²	58.6	33%	0.325	38%	0.378	S	S	.	.			trans	-95.1	144.9	172.7	63.8	0	0	0	0	111.4	H768 G769 S770	T766-H768 PolarHBondContact O-N 3.37Å; T766-G769 PolarHBondContact OG1-N 3.35Å; T766-S770 VanDerWaalsContact CG2-O 3.27Å; T766-S770 WeakPolarHBondContact CG2-O 3.5Å; T766-S770 PolarHBondContact OG1-N 2.88Å; T766-S770 PolarHBondContact OG1-O 3.23Å; T766-S770 VanDerWaalsContact OG1-O 3.09Å
767	P	48.1	Very low	72	Confident	88 Å²	88	60.6 Å²	60.6	57%	0.571	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-21	-178.8	-24.8	33.1	0	0	0	115.7
768	H	41.7	Very low	71.6	Confident	170 Å²	170	61.6 Å²	61.6	79%	0.787	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139	34.2	-170.9	-63.4	-42.6	0	0	0	114.9	T766 S770	T766-H768 PolarHBondContact O-N 3.37Å; H768-S770 VanDerWaalsContact C-N 3.27Å; H768-S770 PolarHBondContact O-N 2.82Å; H768-S770 VanDerWaalsContact O-N 3.1Å
769	G	40.7	Very low	71.4	Confident	76 Å²	76	62 Å²	62	78%	0.784	40%	0.402	S	S	*	.	S	Bend	trans	65.7	17.3	166.8	0	0	0	0	0	117	T766	T766-G769 PolarHBondContact OG1-N 3.35Å
770	S	40.1	Very low	71	Confident	88 Å²	88	69.3 Å²	69.3	62%	0.615	44%	0.436	S	S	*	.			trans	-102.4	126.7	175.5	-54.6	0	0	0	0	109.9	T766 H768 G772	T766-S770 VanDerWaalsContact CG2-O 3.27Å; T766-S770 WeakPolarHBondContact CG2-O 3.5Å; T766-S770 PolarHBondContact OG1-N 2.88Å; T766-S770 PolarHBondContact OG1-O 3.23Å; T766-S770 VanDerWaalsContact OG1-O 3.09Å; H768-S770 VanDerWaalsContact C-N 3.27Å; H768-S770 PolarHBondContact O-N 2.82Å; H768-S770 VanDerWaalsContact O-N 3.1Å; S770-G772 PolarHBondContact O-N 2.69Å
771	T	39.7	Very low	70.6	Confident	150 Å²	150	75.1 Å²	75.1	92%	0.92	46%	0.458	S	S	*	.			trans	-57.1	122.7	-174.9	48	0	0	0	0	114.2
772	G	53.4	Low	70.5	Confident	66 Å²	66	76.3 Å²	76.3	68%	0.68	46%	0.462	S	S	*	.			trans	85.4	61.7	133.8	0	0	0	0	0	120.4	S770 G774	S770-G772 PolarHBondContact O-N 2.69Å; G772-G774 VanDerWaalsContact C-N 3.34Å
773	G	63.8	Low	70.7	Confident	44 Å²	44	81 Å²	81	45%	0.454	49%	0.489	S	S	.	.			trans	-77.1	-14.4	167.3	0	0	0	0	0	115.2	A777	G773-A777 VanDerWaalsContact O-CB 3.3Å; G773-A777 WeakPolarHBondContact O-CB 3.47Å; G773-A777 PolarHBondContact O-N 3.43Å
774	G	83.3	Confident	71.2	Confident	31 Å²	31	80 Å²	80	32%	0.32	48%	0.482	S	S	.	.	H	α-helix	trans	62.1	-171	-174.7	0	0	0	0	0	113.3	G772 Q776	G772-G774 VanDerWaalsContact C-N 3.34Å; G774-Q776 VanDerWaalsContact C-N 3.29Å; G774-Q776 PolarHBondContact O-N 3.16Å
775	I	88.4	Confident	72.3	Confident	22 Å²	22	75.9 Å²	75.9	11%	0.113	46%	0.463	C	S	.	.	H	α-helix	trans	-62.2	-36.1	177.9	-174.9	58.5	0	0	0	112.2	L761 V763 A777 L778 V779 Y789 Y797	L761-I775 HydrophobicContact CB-CD1 4.43Å; L761-I775 HydrophobicContact CD1-CD1 3.88Å; V763-I775 HydrophobicContact CG2-CB 4.48Å; V763-I775 HydrophobicContact CG2-CD1 4.33Å; I775-A777 VanDerWaalsContact C-N 3.3Å; I775-A777 PolarHBondContact O-N 3.43Å; I775-L778 PolarHBondContact O-N 2.93Å; I775-V779 HydrophobicContact CD1-CG2 4.3Å; I775-V779 HydrophobicContact CG1-CG2 4.03Å; I775-V779 WeakPolarHBondContact O-CG2 3.43Å; I775-V779 PolarHBondContact O-N 3.39Å; I775-Y789 HydrophobicContact CD1-CD2 4.48Å; I775-Y789 HydrophobicContact CD1-CE2 4.29Å; I775-Y789 HydrophobicContact CG1-CE2 3.97Å; I775-Y797 HydrophobicContact CB-CE1 4.23Å; I775-Y797 HydrophobicContact CB-CE2 4.38Å; I775-Y797 HydrophobicContact CD1-CD1 3.7Å; I775-Y797 HydrophobicContact CD1-CD2 4.27Å; I775-Y797 HydrophobicContact CD1-CE1 4.21Å; I775-Y797 HydrophobicContact CD1-CG 3.72Å; I775-Y797 HydrophobicContact CG1-CD1 3.83Å; I775-Y797 HydrophobicContact CG1-CE1 3.81Å; I775-Y797 HydrophobicContact CG1-CG 4.23Å; I775-Y797 HydrophobicContact CG2-CE1 4.47Å
776	Q	89	Confident	73.8	Confident	99 Å²	99	77.2 Å²	77.2	46%	0.463	47%	0.467	S	S	.	.	H	α-helix	trans	-61.8	-35.5	-176.8	-69.4	-61.3	-25.5	0	0	113	G774 L778 V779 Q780	G774-Q776 VanDerWaalsContact C-N 3.29Å; G774-Q776 PolarHBondContact O-N 3.16Å; Q776-L778 VanDerWaalsContact C-N 3.34Å; Q776-L778 PolarHBondContact O-N 2.79Å; Q776-V779 PolarHBondContact O-N 3.22Å; Q776-Q780 WeakPolarHBondContact O-CB 3.41Å; Q776-Q780 WeakPolarHBondContact O-CG 3.26Å; Q776-Q780 PolarHBondContact O-N 2.84Å
777	A	88	Confident	75.9	Confident	41 Å²	41	81.8 Å²	81.8	34%	0.339	48%	0.484	S	S	.	.	H	α-helix	trans	-64.8	-37.3	174.4	0	0	0	0	0	112.6	G773 I775 R781	G773-A777 VanDerWaalsContact O-CB 3.3Å; G773-A777 WeakPolarHBondContact O-CB 3.47Å; G773-A777 PolarHBondContact O-N 3.43Å; I775-A777 VanDerWaalsContact C-N 3.3Å; I775-A777 PolarHBondContact O-N 3.43Å; A777-R781 WeakPolarHBondContact O-CB 3.26Å; A777-R781 PolarHBondContact O-N 3.07Å
778	L	89.5	Confident	78.3	Confident	21 Å²	21	78.6 Å²	78.6	11%	0.11	46%	0.462	C	S	.	.	H	α-helix	trans	-72.9	-39.5	177	-61.9	178.5	0	0	0	111.5	L761 V763 I775 Q776 R781 Y782	L761-L778 HydrophobicContact CB-CD1 3.93Å; L761-L778 HydrophobicContact CD2-CB 4.4Å; L761-L778 HydrophobicContact CD2-CD1 4.41Å; V763-L778 HydrophobicContact CG2-CD1 4.16Å; I775-L778 PolarHBondContact O-N 2.93Å; Q776-L778 VanDerWaalsContact C-N 3.34Å; Q776-L778 PolarHBondContact O-N 2.79Å; L778-R781 PolarHBondContact O-N 3.34Å; L778-Y782 HydrophobicContact CB-CD2 4.38Å; L778-Y782 HydrophobicContact CB-CE2 4.48Å; L778-Y782 HydrophobicContact CD2-CE2 4.06Å; L778-Y782 VanDerWaalsContact O-CD2 3.29Å; L778-Y782 WeakPolarHBondContact O-CD2 3.48Å; L778-Y782 PolarHBondContact O-N 2.79Å
779	V	90.8	Very high	80.9	Confident	11 Å²	11	71.8 Å²	71.8	7%	0.067	43%	0.43	C	S	.	.	H	α-helix	trans	-58.5	-49.5	175.4	171.8	0	0	0	0	110.4	I775 Q776 N783 L784 Y789	I775-V779 HydrophobicContact CD1-CG2 4.3Å; I775-V779 HydrophobicContact CG1-CG2 4.03Å; I775-V779 WeakPolarHBondContact O-CG2 3.43Å; I775-V779 PolarHBondContact O-N 3.39Å; Q776-V779 PolarHBondContact O-N 3.22Å; V779-N783 WeakPolarHBondContact O-CA 3.3Å; V779-N783 PolarHBondContact O-N 3.48Å; V779-L784 HydrophobicContact CG1-CB 4.28Å; V779-L784 WeakPolarHBondContact CG1-O 3.45Å; V779-L784 PolarHBondContact O-N 3.33Å; V779-Y789 HydrophobicContact CG2-CD1 4.24Å; V779-Y789 HydrophobicContact CG2-CE1 3.58Å
780	Q	90.2	Very high	83.5	Confident	153 Å²	153	69.8 Å²	69.8	72%	0.715	40%	0.401	S	S	*	.	H	α-helix	trans	-64.7	-44.1	175.5	-69.9	174.8	4.3	0	0	112.3	Q776 Y782 N783	Q776-Q780 WeakPolarHBondContact O-CB 3.41Å; Q776-Q780 WeakPolarHBondContact O-CG 3.26Å; Q776-Q780 PolarHBondContact O-N 2.84Å; Q780-Y782 VanDerWaalsContact C-N 3.32Å; Q780-Y782 PolarHBondContact O-N 3.09Å; Q780-N783 PolarHBondContact O-N 3.2Å
781	R	89.1	Confident	86.2	Confident	125 Å²	125	71.9 Å²	71.9	47%	0.472	40%	0.399	S	S	.	.	H	α-helix	trans	-60.6	-39.2	-178.5	179.6	179.6	-177.1	-170.8	-0.5	113.1	A777 L778	A777-R781 WeakPolarHBondContact O-CB 3.26Å; A777-R781 PolarHBondContact O-N 3.07Å; L778-R781 PolarHBondContact O-N 3.34Å
782	Y	92.2	Very high	88.9	Confident	29 Å²	29	64.9 Å²	64.9	11%	0.114	36%	0.356	C	S	.	.	H	α-helix	trans	-102.9	7.2	-176.8	-59.5	-54.4	0	0	0	113.6	F300 L761 L778 Q780 L784	F300-Y782 AromaticContact CD1-CD2 3.96Å; F300-Y782 HydrophobicContact CD1-CD2 3.96Å; F300-Y782 HydrophobicContact CD1-CE2 4.25Å; F300-Y782 HydrophobicContact CD1-CG 4.25Å; F300-Y782 HydrophobicContact CE1-CD1 4.48Å; F300-Y782 HydrophobicContact CE1-CD2 4.12Å; F300-Y782 AromaticContact CE1-CG 3.97Å; F300-Y782 HydrophobicContact CE1-CG 3.97Å; F300-Y782 PolarHBondContact O-OH 3.03Å; L761-Y782 HydrophobicContact CD2-CD2 4.21Å; L761-Y782 HydrophobicContact CD2-CE2 4.42Å; L778-Y782 HydrophobicContact CB-CD2 4.38Å; L778-Y782 HydrophobicContact CB-CE2 4.48Å; L778-Y782 HydrophobicContact CD2-CE2 4.06Å; L778-Y782 VanDerWaalsContact O-CD2 3.29Å; L778-Y782 WeakPolarHBondContact O-CD2 3.48Å; L778-Y782 PolarHBondContact O-N 2.79Å; Q780-Y782 VanDerWaalsContact C-N 3.32Å; Q780-Y782 PolarHBondContact O-N 3.09Å; Y782-L784 VanDerWaalsContact C-N 3.29Å; Y782-L784 PolarHBondContact O-N 3.34Å
783	N	92.7	Very high	90.8	Very high	149 Å²	149	65.2 Å²	65.2	80%	0.797	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	46.4	-178.4	-167.2	58.6	0	0	0	112.7	V779 Q780	V779-N783 WeakPolarHBondContact O-CA 3.3Å; V779-N783 PolarHBondContact O-N 3.48Å; Q780-N783 PolarHBondContact O-N 3.2Å
784	L	94.3	Very high	92.2	Very high	17 Å²	17	66.2 Å²	66.2	9%	0.089	34%	0.344	C	S	.	.			trans	-90.4	159.5	177.3	-56.9	173	0	0	0	110.3	F300 L761 V779 Y782 D788 V799 I803	F300-L784 HydrophobicContact CE1-CD1 4.41Å; F300-L784 HydrophobicContact CE1-CD2 4.42Å; L761-L784 HydrophobicContact CD1-CD1 4.23Å; L761-L784 HydrophobicContact CD2-CD1 4.13Å; V779-L784 HydrophobicContact CG1-CB 4.28Å; V779-L784 WeakPolarHBondContact CG1-O 3.45Å; V779-L784 PolarHBondContact O-N 3.33Å; Y782-L784 VanDerWaalsContact C-N 3.29Å; Y782-L784 PolarHBondContact O-N 3.34Å; L784-D788 HydrophobicContact CB-CB 4.16Å; L784-D788 HydrophobicContact CD2-CB 4.06Å; L784-V799 HydrophobicContact CD1-CG1 3.95Å; L784-V799 HydrophobicContact CD2-CG1 4.48Å; L784-I803 HydrophobicContact CD2-CG2 4.15Å
785	T	94.2	Very high	92.6	Very high	75 Å²	75	66.2 Å²	66.2	46%	0.46	34%	0.344	S	S	.	.			trans	-110.7	169.5	167.7	68.5	0	0	0	0	110.4	E787 D788 Y789	T785-E787 PolarHBondContact O-N 3.27Å; T785-E787 VanDerWaalsContact O-N 3.15Å; T785-E787 PolarHBondContact OG1-N 2.82Å; T785-D788 WeakPolarHBondContact CB-OD2 3.34Å; T785-D788 PolarHBondContact N-OD2 3.06Å; T785-D788 WeakPolarHBondContact O-CB 3.44Å; T785-D788 PolarHBondContact O-N 2.6Å; T785-D788 PolarHBondContact OG1-OD2 3.02Å; T785-Y789 VanDerWaalsContact O-CD1 3.24Å; T785-Y789 WeakPolarHBondContact O-CD1 3.48Å; T785-Y789 VanDerWaalsContact O-CE1 3.26Å; T785-Y789 WeakPolarHBondContact O-CE1 3.41Å
786	D	91.6	Very high	92.9	Very high	114 Å²	114	65.8 Å²	65.8	61%	0.61	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.9	176.3	-69.9	-28.7	0	0	0	113.3	Y789	D786-Y789 PolarHBondContact OD1-OH 2.83Å
787	E	94.2	Very high	93.3	Very high	148 Å²	148	62.8 Å²	62.8	69%	0.692	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-12.5	174	-64.7	-176	-176.2	0	0	113.2	T785 K800	T785-E787 PolarHBondContact O-N 3.27Å; T785-E787 VanDerWaalsContact O-N 3.15Å; T785-E787 PolarHBondContact OG1-N 2.82Å; E787-K800 WeakPolarHBondContact O-CD 3.45Å; E787-K800 WeakPolarHBondContact O-CE 3.35Å; E787-K800 PolarHBondContact O-NZ 2.8Å
788	D	96.8	Very high	93.8	Very high	21 Å²	21	60.8 Å²	60.8	11%	0.112	31%	0.312	C	S	.	.	S	Bend	trans	-89.9	-10.2	-171.3	-69.3	-38.5	0	0	0	114	L784 T785 V799 K800 H802 I803	L784-D788 HydrophobicContact CB-CB 4.16Å; L784-D788 HydrophobicContact CD2-CB 4.06Å; T785-D788 WeakPolarHBondContact CB-OD2 3.34Å; T785-D788 PolarHBondContact N-OD2 3.06Å; T785-D788 WeakPolarHBondContact O-CB 3.44Å; T785-D788 PolarHBondContact O-N 2.6Å; T785-D788 PolarHBondContact OG1-OD2 3.02Å; D788-V799 CarbonylContact O-C 3.54Å; D788-V799 WeakPolarHBondContact O-CA 3.31Å; D788-K800 PolarHBondContact O-N 2.99Å; D788-H802 IonicContact OD1-CD2 3.72Å; D788-H802 IonicContact OD1-CE1 3.36Å; D788-H802 IonicContact OD1-NE2 3.64Å; D788-H802 PolarHBondContact OD1-NE2 2.77Å; D788-I803 HydrophobicContact CB-CD1 4.17Å; D788-I803 HydrophobicContact CB-CG1 3.89Å
789	Y	96.6	Very high	94.2	Very high	28 Å²	28	59.8 Å²	59.8	11%	0.11	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	164.2	-179.9	66.1	-87.9	0	0	0	111.7	L761 I775 V779 T785 D786 Y797 F798	L761-Y789 HydrophobicContact CD1-CG 4.16Å; I775-Y789 HydrophobicContact CD1-CD2 4.48Å; I775-Y789 HydrophobicContact CD1-CE2 4.29Å; I775-Y789 HydrophobicContact CG1-CE2 3.97Å; V779-Y789 HydrophobicContact CG2-CD1 4.24Å; V779-Y789 HydrophobicContact CG2-CE1 3.58Å; T785-Y789 VanDerWaalsContact O-CD1 3.24Å; T785-Y789 WeakPolarHBondContact O-CD1 3.48Å; T785-Y789 VanDerWaalsContact O-CE1 3.26Å; T785-Y789 WeakPolarHBondContact O-CE1 3.41Å; D786-Y789 PolarHBondContact OD1-OH 2.83Å; Y789-Y797 AromaticContact CD2-CD1 3.68Å; Y789-Y797 HydrophobicContact CD2-CD1 3.68Å; Y789-Y797 HydrophobicContact CD2-CE1 4.34Å; Y789-Y797 AromaticContact CE2-CD1 3.65Å; Y789-Y797 HydrophobicContact CE2-CD1 3.65Å; Y789-Y797 AromaticContact CE2-CE1 3.86Å; Y789-Y797 HydrophobicContact CE2-CE1 3.86Å; Y789-F798 CarbonylContact C-O 3.58Å; Y789-F798 WeakPolarHBondContact CA-O 3.3Å; Y789-F798 WeakPolarHBondContact CB-O 3.43Å
790	I	96.6	Very high	94.5	Very high	33 Å²	33	62.9 Å²	62.9	17%	0.169	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	151.2	171.7	64.2	166.5	0	0	0	109.7	H753 L755 T792 Y797 F798 K800	H753-I790 HydrophobicContact CB-CD1 3.68Å; H753-I790 VanDerWaalsContact O-CD1 3.28Å; H753-I790 WeakPolarHBondContact O-CD1 3.31Å; L755-I790 HydrophobicContact CD2-CD1 4.24Å; I790-T792 HydrophobicContact CD1-CG2 4.45Å; I790-Y797 VanDerWaalsContact O-CA 3.28Å; I790-Y797 WeakPolarHBondContact O-CA 3.45Å; I790-F798 HydrophobicContact CG1-CB 4.11Å; I790-F798 PolarHBondContact N-O 3.02Å; I790-F798 PolarHBondContact O-N 3.45Å; I790-F798 VanDerWaalsContact O-N 3.11Å; I790-K800 HydrophobicContact CG2-CD 4.39Å; I790-K800 HydrophobicContact CG2-CG 4.02Å
791	K	96.2	Very high	94.8	Very high	132 Å²	132	59 Å²	59	57%	0.574	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	122.5	164.6	-173.8	-177.3	-176.6	177.1	0	108.3	A796 Y797	K791-A796 CarbonylContact C-O 3.6Å; K791-A796 WeakPolarHBondContact CA-O 3.34Å; K791-Y797 HydrophobicContact CB-CD1 3.97Å; K791-Y797 HydrophobicContact CB-CE1 3.68Å; K791-Y797 HydrophobicContact CD-CE1 3.88Å; K791-Y797 WeakPolarHBondContact CD-OH 3.46Å; K791-Y797 WeakPolarHBondContact CE-OH 3.22Å; K791-Y797 HydrophobicContact CG-CD1 4.18Å; K791-Y797 HydrophobicContact CG-CE1 3.66Å; K791-Y797 HydrophobicContact CG-CE2 4.36Å
792	T	96.2	Very high	95.1	Very high	4 Å²	4	58.8 Å²	58.8	3%	0.025	31%	0.313	C	S	.	.			trans	-77.7	163.2	178.5	71.9	0	0	0	0	110.7	L755 I790 T794 G795 A796 F798 S871 F875	L755-T792 HydrophobicContact CD2-CG2 4.17Å; I790-T792 HydrophobicContact CD1-CG2 4.45Å; T792-T794 PolarHBondContact O-N 3.14Å; T792-T794 VanDerWaalsContact O-N 3.14Å; T792-T794 PolarHBondContact OG1-OG1 3.49Å; T792-G795 WeakPolarHBondContact O-CA 3.29Å; T792-G795 PolarHBondContact O-N 2.78Å; T792-A796 HydrophobicContact CG2-CB 4.46Å; T792-A796 PolarHBondContact N-O 2.8Å; T792-A796 WeakPolarHBondContact OG1-CB 3.22Å; T792-A796 PolarHBondContact OG1-N 2.93Å; T792-A796 VanDerWaalsContact OG1-N 3.15Å; T792-A796 PolarHBondContact OG1-O 2.87Å; T792-F798 HydrophobicContact CG2-CD2 3.63Å; T792-F798 HydrophobicContact CG2-CE2 3.67Å; T792-S871 VanDerWaalsContact CB-OG 3.31Å; T792-S871 WeakPolarHBondContact CB-OG 3.24Å; T792-S871 WeakPolarHBondContact CG2-OG 3.45Å; T792-S871 PolarHBondContact OG1-OG 3.44Å; T792-F875 HydrophobicContact CG2-CE2 3.86Å; T792-F875 HydrophobicContact CG2-CZ 4.29Å
793	P	94	Very high	95.3	Very high	72 Å²	72	59.4 Å²	59.4	47%	0.468	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.2	177.6	-23.2	32.2	0	0	0	114	G795 S874 F875	P793-G795 VanDerWaalsContact C-N 3.28Å; P793-S874 WeakPolarHBondContact CD-OG 3.41Å; P793-F875 HydrophobicContact CG-CD1 3.99Å; P793-F875 HydrophobicContact CG-CE1 3.99Å; P793-F875 HydrophobicContact CG-CG 4.4Å; P793-F875 HydrophobicContact CG-CZ 4.41Å
794	T	92.5	Very high	95.4	Very high	65 Å²	65	52.8 Å²	52.8	40%	0.399	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-4.8	173.2	54.6	0	0	0	0	113.5	T792 A870 S871	T792-T794 PolarHBondContact O-N 3.14Å; T792-T794 VanDerWaalsContact O-N 3.14Å; T792-T794 PolarHBondContact OG1-OG1 3.49Å; T794-A870 HydrophobicContact CG2-CB 4.03Å; T794-A870 WeakPolarHBondContact CG2-O 3.34Å; T794-S871 PolarHBondContact OG1-OG 2.83Å; T794-S871 VanDerWaalsContact OG1-OG 3.09Å
795	G	92.7	Very high	95.5	Very high	31 Å²	31	55.9 Å²	55.9	32%	0.32	30%	0.297	S	S	.	.	S	Bend	trans	85.6	10.3	-179	0	0	0	0	0	114.8	T792 P793 Y797	T792-G795 WeakPolarHBondContact O-CA 3.29Å; T792-G795 PolarHBondContact O-N 2.78Å; P793-G795 VanDerWaalsContact C-N 3.28Å; G795-Y797 WeakPolarHBondContact O-CD2 3.1Å; G795-Y797 WeakPolarHBondContact O-CE2 3.32Å
796	A	94.2	Very high	95.7	Very high	14 Å²	14	52.3 Å²	52.3	12%	0.116	28%	0.275	C	S	.	.			trans	-78.5	158.7	171.2	0	0	0	0	0	110.9	K791 T792 F798 E867	K791-A796 CarbonylContact C-O 3.6Å; K791-A796 WeakPolarHBondContact CA-O 3.34Å; T792-A796 HydrophobicContact CG2-CB 4.46Å; T792-A796 PolarHBondContact N-O 2.8Å; T792-A796 WeakPolarHBondContact OG1-CB 3.22Å; T792-A796 PolarHBondContact OG1-N 2.93Å; T792-A796 VanDerWaalsContact OG1-N 3.15Å; T792-A796 PolarHBondContact OG1-O 2.87Å; A796-F798 HydrophobicContact CB-CE2 3.83Å; A796-E867 HydrophobicContact CB-CB 4.13Å; A796-E867 HydrophobicContact CB-CG 4.46Å
797	Y	96.6	Very high	96	Very high	35 Å²	35	47 Å²	47	14%	0.137	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	133.2	-175.2	-66.4	-93.5	0	0	0	110.9	L761 V763 I775 Y789 I790 K791 G795	L761-Y797 PolarHBondContact N-O 3.31Å; V763-Y797 HydrophobicContact CG2-CD2 3.61Å; V763-Y797 HydrophobicContact CG2-CE2 4.14Å; V763-Y797 HydrophobicContact CG2-CG 4.37Å; I775-Y797 HydrophobicContact CB-CE1 4.23Å; I775-Y797 HydrophobicContact CB-CE2 4.38Å; I775-Y797 HydrophobicContact CD1-CD1 3.7Å; I775-Y797 HydrophobicContact CD1-CD2 4.27Å; I775-Y797 HydrophobicContact CD1-CE1 4.21Å; I775-Y797 HydrophobicContact CD1-CG 3.72Å; I775-Y797 HydrophobicContact CG1-CD1 3.83Å; I775-Y797 HydrophobicContact CG1-CE1 3.81Å; I775-Y797 HydrophobicContact CG1-CG 4.23Å; I775-Y797 HydrophobicContact CG2-CE1 4.47Å; Y789-Y797 AromaticContact CD2-CD1 3.68Å; Y789-Y797 HydrophobicContact CD2-CD1 3.68Å; Y789-Y797 HydrophobicContact CD2-CE1 4.34Å; Y789-Y797 AromaticContact CE2-CD1 3.65Å; Y789-Y797 HydrophobicContact CE2-CD1 3.65Å; Y789-Y797 AromaticContact CE2-CE1 3.86Å; Y789-Y797 HydrophobicContact CE2-CE1 3.86Å; I790-Y797 VanDerWaalsContact O-CA 3.28Å; I790-Y797 WeakPolarHBondContact O-CA 3.45Å; K791-Y797 HydrophobicContact CB-CD1 3.97Å; K791-Y797 HydrophobicContact CB-CE1 3.68Å; K791-Y797 HydrophobicContact CD-CE1 3.88Å; K791-Y797 WeakPolarHBondContact CD-OH 3.46Å; K791-Y797 WeakPolarHBondContact CE-OH 3.22Å; K791-Y797 HydrophobicContact CG-CD1 4.18Å; K791-Y797 HydrophobicContact CG-CE1 3.66Å; K791-Y797 HydrophobicContact CG-CE2 4.36Å; G795-Y797 WeakPolarHBondContact O-CD2 3.1Å; G795-Y797 WeakPolarHBondContact O-CE2 3.32Å
798	F	98	Very high	96.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	137.3	178.9	-62.5	-96.7	0	0	0	110.8	L755 T759 L760 Y789 I790 T792 A796 E867 I868	L755-F798 HydrophobicContact CD2-CD1 4.32Å; L755-F798 HydrophobicContact CD2-CD2 3.61Å; L755-F798 HydrophobicContact CD2-CE1 4.45Å; L755-F798 HydrophobicContact CD2-CE2 3.78Å; L755-F798 HydrophobicContact CD2-CG 3.9Å; L755-F798 HydrophobicContact CD2-CZ 4.2Å; T759-F798 CarbonylContact O-C 3.5Å; T759-F798 WeakPolarHBondContact O-CA 3.36Å; L760-F798 HydrophobicContact CB-CD1 4.1Å; L760-F798 HydrophobicContact CB-CE1 3.85Å; L760-F798 HydrophobicContact CD1-CD1 4.27Å; L760-F798 HydrophobicContact CD1-CE1 3.7Å; L760-F798 HydrophobicContact CD1-CE2 4.23Å; L760-F798 HydrophobicContact CD1-CZ 3.68Å; L760-F798 HydrophobicContact CG-CE1 4.35Å; Y789-F798 CarbonylContact C-O 3.58Å; Y789-F798 WeakPolarHBondContact CA-O 3.3Å; Y789-F798 WeakPolarHBondContact CB-O 3.43Å; I790-F798 HydrophobicContact CG1-CB 4.11Å; I790-F798 PolarHBondContact N-O 3.02Å; I790-F798 PolarHBondContact O-N 3.45Å; I790-F798 VanDerWaalsContact O-N 3.11Å; T792-F798 HydrophobicContact CG2-CD2 3.63Å; T792-F798 HydrophobicContact CG2-CE2 3.67Å; A796-F798 HydrophobicContact CB-CE2 3.83Å; F798-E867 HydrophobicContact CZ-CB 4.36Å; F798-I868 HydrophobicContact CE1-CG1 3.84Å; F798-I868 HydrophobicContact CZ-CG1 3.93Å
799	V	97.9	Very high	96.2	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	146.4	172.5	-61.4	0	0	0	0	110.9	F300 N754 T759 L761 L784 D788 I803 C804	F300-V799 HydrophobicContact CD1-CG1 3.76Å; F300-V799 HydrophobicContact CD2-CG1 4.47Å; F300-V799 HydrophobicContact CD2-CG2 3.83Å; F300-V799 HydrophobicContact CE1-CG1 3.86Å; F300-V799 HydrophobicContact CE2-CG2 4.05Å; F300-V799 HydrophobicContact CG-CG1 4.05Å; F300-V799 HydrophobicContact CG-CG2 4.09Å; F300-V799 HydrophobicContact CZ-CG1 4.27Å; F300-V799 HydrophobicContact CZ-CG2 4.48Å; N754-V799 PolarHBondContact ND2-O 2.81Å; T759-V799 HydrophobicContact CG2-CG2 4.09Å; T759-V799 PolarHBondContact O-N 3.36Å; L761-V799 HydrophobicContact CD1-CG1 4.01Å; L761-V799 HydrophobicContact CD2-CG1 4.06Å; L761-V799 HydrophobicContact CG-CG1 4.06Å; L784-V799 HydrophobicContact CD1-CG1 3.95Å; L784-V799 HydrophobicContact CD2-CG1 4.48Å; D788-V799 CarbonylContact O-C 3.54Å; D788-V799 WeakPolarHBondContact O-CA 3.31Å; V799-I803 HydrophobicContact CB-CB 4.24Å; V799-I803 HydrophobicContact CB-CG2 4.18Å; V799-I803 HydrophobicContact CG1-CG2 4.43Å; V799-I803 HydrophobicContact CG2-CG2 4.34Å; V799-C804 HydrophobicContact CG2-CB 3.94Å
800	K	97.5	Very high	96.3	Very high	75 Å²	75	38.9 Å²	38.9	33%	0.326	21%	0.209	S	C	.	.			trans	-74.6	162.7	178.3	-67.1	-172.7	-168	164.4	0	111.6	E787 D788 I790 H802 I803 C804	E787-K800 WeakPolarHBondContact O-CD 3.45Å; E787-K800 WeakPolarHBondContact O-CE 3.35Å; E787-K800 PolarHBondContact O-NZ 2.8Å; D788-K800 PolarHBondContact O-N 2.99Å; I790-K800 HydrophobicContact CG2-CD 4.39Å; I790-K800 HydrophobicContact CG2-CG 4.02Å; K800-H802 VanDerWaalsContact C-N 3.25Å; K800-H802 WeakPolarHBondContact CB-ND1 3.38Å; K800-H802 PolarHBondContact O-N 3.25Å; K800-I803 PolarHBondContact O-N 3.49Å; K800-C804 PolarHBondContact O-N 3.46Å
801	S	96.1	Very high	96.3	Very high	71 Å²	71	37.6 Å²	37.6	50%	0.497	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.4	-172.4	52.6	0	0	0	0	114.5	N754 I803 C804 H805	N754-S801 PolarHBondContact ND2-N 3.01Å; S801-I803 VanDerWaalsContact C-N 3.29Å; S801-I803 PolarHBondContact O-N 3.33Å; S801-C804 CarbonylContact O-C 3.57Å; S801-H805 PolarHBondContact O-N 2.89Å
802	H	95.5	Very high	96.4	Very high	121 Å²	121	31.3 Å²	31.3	56%	0.56	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-21.6	176.8	69.7	-81.7	0	0	0	113.3	D788 K800	D788-H802 IonicContact OD1-CD2 3.72Å; D788-H802 IonicContact OD1-CE1 3.36Å; D788-H802 IonicContact OD1-NE2 3.64Å; D788-H802 PolarHBondContact OD1-NE2 2.77Å; K800-H802 VanDerWaalsContact C-N 3.25Å; K800-H802 WeakPolarHBondContact CB-ND1 3.38Å; K800-H802 PolarHBondContact O-N 3.25Å
803	I	96.5	Very high	96.4	Very high	42 Å²	42	36.7 Å²	36.7	22%	0.215	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-47.4	172.5	-60.1	-58.6	0	0	0	110.6	F300 N303 L784 D788 V799 K800 S801	F300-I803 HydrophobicContact CE1-CG2 4.47Å; F300-I803 HydrophobicContact CE2-CG2 4.1Å; F300-I803 HydrophobicContact CZ-CG2 3.64Å; N303-I803 PolarHBondContact ND2-O 2.86Å; L784-I803 HydrophobicContact CD2-CG2 4.15Å; D788-I803 HydrophobicContact CB-CD1 4.17Å; D788-I803 HydrophobicContact CB-CG1 3.89Å; V799-I803 HydrophobicContact CB-CB 4.24Å; V799-I803 HydrophobicContact CB-CG2 4.18Å; V799-I803 HydrophobicContact CG1-CG2 4.43Å; V799-I803 HydrophobicContact CG2-CG2 4.34Å; K800-I803 PolarHBondContact O-N 3.49Å; S801-I803 VanDerWaalsContact C-N 3.29Å; S801-I803 PolarHBondContact O-N 3.33Å
804	C	95.9	Very high	96.5	Very high	10 Å²	10	37.2 Å²	37.2	7%	0.068	20%	0.196	C	C	.	.			trans	-156.1	118.3	179.2	-174.6	0	0	0	0	109.3	F300 N754 T759 V799 K800 S801	F300-C804 HydrophobicContact CD2-CB 4.25Å; F300-C804 HydrophobicContact CE2-CB 3.87Å; N754-C804 PolarHBondContact ND2-O 3.4Å; T759-C804 HydrophobicContact CG2-CB 4.47Å; T759-C804 WeakPolarHBondContact CG2-O 3.44Å; V799-C804 HydrophobicContact CG2-CB 3.94Å; K800-C804 PolarHBondContact O-N 3.46Å; S801-C804 CarbonylContact O-C 3.57Å
805	H	96.6	Very high	96.7	Very high	83 Å²	83	34.6 Å²	34.6	38%	0.384	18%	0.18	S	C	.	.			trans	-76.7	126.7	173.5	-168.7	62.3	0	0	0	110.1	S801	S801-H805 PolarHBondContact O-N 2.89Å
806	G	97.8	Very high	96.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.174	C	C	.	.			trans	-71.8	138.3	-176.1	0	0	0	0	0	113.3	N754 L808 P809 E810	N754-G806 PolarHBondContact OD1-N 3.49Å; G806-L808 PolarHBondContact O-N 3.12Å; G806-P809 WeakPolarHBondContact O-CB 3.33Å; G806-P809 VanDerWaalsContact O-CD 3.29Å; G806-P809 WeakPolarHBondContact O-CD 3.36Å; G806-E810 PolarHBondContact O-N 2.78Å
807	I	97.7	Very high	96.9	Very high	2 Å²	2	38 Å²	38	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-60.2	-40.8	174.7	-60.8	-62.5	0	0	0	112.6	L698 K701 H705 Y707 C756 T758 E810 I811	L698-I807 HydrophobicContact CD2-CG2 4Å; K701-I807 HydrophobicContact CB-CG2 3.69Å; H705-I807 HydrophobicContact CB-CD1 3.95Å; H705-I807 WeakPolarHBondContact CD2-CD1 3.31Å; Y707-I807 HydrophobicContact CD2-CD1 4.06Å; Y707-I807 HydrophobicContact CD2-CG1 4.13Å; Y707-I807 HydrophobicContact CE2-CD1 4.11Å; Y707-I807 HydrophobicContact CE2-CG1 4.2Å; C756-I807 PolarHBondContact SG-N 3.46Å; T758-I807 HydrophobicContact CG2-CG1 3.82Å; I807-E810 PolarHBondContact O-N 3.46Å; I807-I811 HydrophobicContact CG2-CD1 3.95Å; I807-I811 HydrophobicContact CG2-CG1 4.48Å; I807-I811 VanDerWaalsContact O-CG1 3.32Å; I807-I811 WeakPolarHBondContact O-CG1 3.38Å; I807-I811 PolarHBondContact O-N 3.44Å
808	L	97.6	Very high	96.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-50.9	176.2	-67.7	-175.7	0	0	0	112.1	L698 M750 C756 Y757 G806 E810 I811 L812 V852 T856 I868	L698-L808 HydrophobicContact CD1-CD2 4.46Å; L698-L808 HydrophobicContact CD2-CD2 3.57Å; L698-L808 HydrophobicContact CD2-CG 4.48Å; L698-L808 HydrophobicContact CG-CD2 4.25Å; M750-L808 HydrophobicContact CE-CB 3.89Å; M750-L808 HydrophobicContact CE-CD1 3.57Å; M750-L808 HydrophobicContact CE-CG 4.32Å; C756-L808 HydrophobicContact CB-CB 4.29Å; C756-L808 PolarHBondContact SG-N 3.06Å; Y757-L808 HydrophobicContact CD2-CD1 3.88Å; Y757-L808 HydrophobicContact CD2-CD2 4.42Å; Y757-L808 HydrophobicContact CD2-CG 4.02Å; Y757-L808 HydrophobicContact CE2-CD1 3.6Å; Y757-L808 HydrophobicContact CE2-CD2 3.98Å; Y757-L808 HydrophobicContact CE2-CG 3.94Å; G806-L808 PolarHBondContact O-N 3.12Å; L808-E810 VanDerWaalsContact C-N 3.28Å; L808-E810 PolarHBondContact O-N 3.28Å; L808-I811 PolarHBondContact O-N 3.38Å; L808-L812 WeakPolarHBondContact O-CG 3.12Å; L808-L812 PolarHBondContact O-N 2.7Å; L808-V852 HydrophobicContact CD2-CG1 3.76Å; L808-T856 HydrophobicContact CD1-CG2 3.79Å; L808-I868 HydrophobicContact CD1-CD1 3.99Å
809	P	97.9	Very high	96.6	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.013	21%	0.207	C	C	.	.	H	α-helix	trans	-48.9	-44.8	168.2	-31.3	33	0	0	0	114.3	M751 G806 L812 Q813	M751-P809 HydrophobicContact CG-CB 4.37Å; G806-P809 WeakPolarHBondContact O-CB 3.33Å; G806-P809 VanDerWaalsContact O-CD 3.29Å; G806-P809 WeakPolarHBondContact O-CD 3.36Å; P809-L812 PolarHBondContact O-N 3.45Å; P809-Q813 WeakPolarHBondContact O-CB 3.44Å; P809-Q813 PolarHBondContact O-N 2.98Å
810	E	97.8	Very high	96.5	Very high	24 Å²	24	47.5 Å²	47.5	11%	0.112	24%	0.242	C	C	.	.	H	α-helix	trans	-64.2	-46.8	179.8	-169.7	-168.6	141.7	0	0	112.2	K701 H705 G806 I807 L808 L812 Q813 Q814	K701-E810 WeakPolarHBondContact CD-OE1 3.13Å; K701-E810 WeakPolarHBondContact CE-OE1 3.39Å; K701-E810 IonicContact NZ-OE1 3.21Å; K701-E810 PolarHBondContact NZ-OE1 3.27Å; H705-E810 IonicContact CD2-OE2 3.46Å; H705-E810 IonicContact CE1-OE2 2.67Å; H705-E810 PolarHBondContact CE1-OE2 2.97Å; H705-E810 IonicContact NE2-OE1 3.81Å; H705-E810 IonicContact NE2-OE2 3.29Å; H705-E810 PolarHBondContact NE2-OE2 2.9Å; G806-E810 PolarHBondContact O-N 2.78Å; I807-E810 PolarHBondContact O-N 3.46Å; L808-E810 VanDerWaalsContact C-N 3.28Å; L808-E810 PolarHBondContact O-N 3.28Å; E810-L812 VanDerWaalsContact C-N 3.31Å; E810-L812 PolarHBondContact O-N 3.04Å; E810-Q813 PolarHBondContact O-N 2.85Å; E810-Q814 WeakPolarHBondContact O-CG 3.42Å; E810-Q814 PolarHBondContact O-N 2.99Å; E810-Q814 PolarHBondContact OE1-NE2 3.12Å
811	I	97.5	Very high	96.3	Very high	7 Å²	7	48.3 Å²	48.3	4%	0.036	25%	0.245	C	C	.	.	H	α-helix	trans	-56.4	-48.4	175.8	-70.7	167.2	0	0	0	110	Q697 L698 K701 I807 L808 Q813 Q814 L815 V852	Q697-I811 HydrophobicContact CB-CD1 4.41Å; L698-I811 HydrophobicContact CD2-CD1 3.88Å; L698-I811 HydrophobicContact CG-CD1 4.21Å; K701-I811 HydrophobicContact CB-CD1 4.29Å; K701-I811 HydrophobicContact CB-CG1 4.25Å; K701-I811 HydrophobicContact CG-CD1 4.18Å; K701-I811 HydrophobicContact CG-CG1 3.67Å; I807-I811 HydrophobicContact CG2-CD1 3.95Å; I807-I811 HydrophobicContact CG2-CG1 4.48Å; I807-I811 VanDerWaalsContact O-CG1 3.32Å; I807-I811 WeakPolarHBondContact O-CG1 3.38Å; I807-I811 PolarHBondContact O-N 3.44Å; L808-I811 PolarHBondContact O-N 3.38Å; I811-Q813 PolarHBondContact O-N 2.89Å; I811-Q814 PolarHBondContact O-N 3.5Å; I811-L815 HydrophobicContact CG2-CD1 3.76Å; I811-L815 HydrophobicContact CG2-CG 4.27Å; I811-L815 WeakPolarHBondContact O-CB 3.42Å; I811-L815 VanDerWaalsContact O-CG 3.28Å; I811-L815 WeakPolarHBondContact O-CG 3.45Å; I811-L815 PolarHBondContact O-N 2.68Å; I811-V852 HydrophobicContact CG2-CG2 4.36Å
812	L	97.9	Very high	96.2	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.3	-42.3	179.7	-71.3	170.2	0	0	0	112	P747 M750 M751 L808 P809 E810 Q814 L815 L816 A849 V852	P747-L812 HydrophobicContact CB-CD1 4.35Å; P747-L812 HydrophobicContact CB-CD2 3.95Å; P747-L812 HydrophobicContact CG-CD2 4.15Å; M750-L812 HydrophobicContact CB-CD1 3.64Å; M750-L812 HydrophobicContact CE-CD1 4.12Å; M750-L812 HydrophobicContact CG-CD1 4.35Å; M750-L812 HydrophobicContact SD-CD1 3.91Å; M751-L812 HydrophobicContact CG-CB 3.97Å; M751-L812 HydrophobicContact CG-CD1 4.45Å; M751-L812 HydrophobicContact SD-CB 4.02Å; L808-L812 WeakPolarHBondContact O-CG 3.12Å; L808-L812 PolarHBondContact O-N 2.7Å; P809-L812 PolarHBondContact O-N 3.45Å; E810-L812 VanDerWaalsContact C-N 3.31Å; E810-L812 PolarHBondContact O-N 3.04Å; L812-Q814 VanDerWaalsContact C-N 3.33Å; L812-Q814 PolarHBondContact O-N 2.71Å; L812-L815 PolarHBondContact O-N 2.76Å; L812-L816 WeakPolarHBondContact O-CB 3.45Å; L812-L816 VanDerWaalsContact O-CG 3.27Å; L812-L816 WeakPolarHBondContact O-CG 3.28Å; L812-L816 PolarHBondContact O-N 2.84Å; L812-A849 HydrophobicContact CD2-CB 4.33Å; L812-A849 WeakPolarHBondContact CD2-O 3.42Å; L812-V852 HydrophobicContact CD1-CG1 4.47Å; L812-V852 HydrophobicContact CD2-CB 3.84Å; L812-V852 HydrophobicContact CD2-CG1 4.23Å; L812-V852 HydrophobicContact CD2-CG2 3.78Å; L812-V852 HydrophobicContact CG-CB 4.45Å; L812-V852 HydrophobicContact CG-CG1 4.3Å; L812-V852 HydrophobicContact CG-CG2 4.48Å
813	Q	96.8	Very high	96.1	Very high	117 Å²	117	44.2 Å²	44.2	55%	0.547	22%	0.217	S	C	.	.	H	α-helix	trans	-61.2	-42.8	177	-175	175.4	68.9	0	0	111.3	M751 P809 E810 I811 S817	M751-Q813 HydrophobicContact SD-CB 4.02Å; P809-Q813 WeakPolarHBondContact O-CB 3.44Å; P809-Q813 PolarHBondContact O-N 2.98Å; E810-Q813 PolarHBondContact O-N 2.85Å; I811-Q813 PolarHBondContact O-N 2.89Å; Q813-S817 WeakPolarHBondContact O-CB 3.49Å; Q813-S817 PolarHBondContact O-N 3.08Å
814	Q	95.5	Very high	96.1	Very high	82 Å²	82	44.5 Å²	44.5	38%	0.383	23%	0.226	S	C	.	.	H	α-helix	trans	-67.3	-45.6	177.4	-73.4	172.1	16.9	0	0	112.2	K701 E810 I811 L812 L816 S817 A818	K701-Q814 VanDerWaalsContact CE-CD 3.5Å; K701-Q814 VanDerWaalsContact NZ-OE1 3.09Å; E810-Q814 WeakPolarHBondContact O-CG 3.42Å; E810-Q814 PolarHBondContact O-N 2.99Å; E810-Q814 PolarHBondContact OE1-NE2 3.12Å; I811-Q814 PolarHBondContact O-N 3.5Å; L812-Q814 VanDerWaalsContact C-N 3.33Å; L812-Q814 PolarHBondContact O-N 2.71Å; Q814-L816 PolarHBondContact O-N 3.32Å; Q814-S817 PolarHBondContact O-N 3.29Å; Q814-A818 WeakPolarHBondContact O-CB 3.42Å; Q814-A818 PolarHBondContact O-N 3.47Å
815	L	96.2	Very high	95.9	Very high	11 Å²	11	47.7 Å²	47.7	6%	0.058	24%	0.24	C	C	.	.	H	α-helix	trans	-60.1	-46.1	177.7	-70.9	172.5	0	0	0	111.9	V677 I811 L812 R819 L845 A849 V852	V677-L815 HydrophobicContact CG1-CD2 3.71Å; I811-L815 HydrophobicContact CG2-CD1 3.76Å; I811-L815 HydrophobicContact CG2-CG 4.27Å; I811-L815 WeakPolarHBondContact O-CB 3.42Å; I811-L815 VanDerWaalsContact O-CG 3.28Å; I811-L815 WeakPolarHBondContact O-CG 3.45Å; I811-L815 PolarHBondContact O-N 2.68Å; L812-L815 PolarHBondContact O-N 2.76Å; L815-R819 WeakPolarHBondContact O-CB 3.4Å; L815-R819 PolarHBondContact O-N 2.96Å; L815-L845 HydrophobicContact CD2-CD2 3.77Å; L815-A849 HydrophobicContact CB-CB 4.24Å; L815-A849 HydrophobicContact CD1-CB 4.26Å; L815-V852 HydrophobicContact CD1-CG2 4.35Å
816	L	95.5	Very high	95.7	Very high	37 Å²	37	45.8 Å²	45.8	19%	0.194	23%	0.232	C	C	.	.	H	α-helix	trans	-71.3	-37.7	-179.6	-67.3	173.2	0	0	0	112.3	P747 M751 L812 Q814 R819 K820 A849	P747-L816 HydrophobicContact CB-CD1 4.02Å; M751-L816 HydrophobicContact CE-CD1 3.35Å; M751-L816 HydrophobicContact SD-CD1 4.21Å; L812-L816 WeakPolarHBondContact O-CB 3.45Å; L812-L816 VanDerWaalsContact O-CG 3.27Å; L812-L816 WeakPolarHBondContact O-CG 3.28Å; L812-L816 PolarHBondContact O-N 2.84Å; Q814-L816 PolarHBondContact O-N 3.32Å; L816-R819 PolarHBondContact O-N 3.13Å; L816-K820 PolarHBondContact O-N 3.01Å; L816-A849 HydrophobicContact CD2-CB 4.17Å
817	S	95.6	Very high	95.6	Very high	79 Å²	79	50 Å²	50	55%	0.552	27%	0.267	S	S	*	.	H	α-helix	trans	-63.5	-47.7	173.7	-175.8	0	0	0	0	111.4	Q813 Q814 R819 K820 K821	Q813-S817 WeakPolarHBondContact O-CB 3.49Å; Q813-S817 PolarHBondContact O-N 3.08Å; Q814-S817 PolarHBondContact O-N 3.29Å; S817-R819 VanDerWaalsContact C-N 3.27Å; S817-R819 PolarHBondContact O-N 3.42Å; S817-K820 WeakPolarHBondContact O-CB 3.37Å; S817-K820 PolarHBondContact O-N 3.21Å; S817-K820 VanDerWaalsContact O-N 3.16Å; S817-K821 PolarHBondContact O-N 2.88Å
818	A	94.1	Very high	95.4	Very high	30 Å²	30	58.2 Å²	58.2	25%	0.248	30%	0.303	C	S	.	.	H	α-helix	trans	-60.5	-38	175	0	0	0	0	0	111.5	Q814 K821 A822 L845	Q814-A818 WeakPolarHBondContact O-CB 3.42Å; Q814-A818 PolarHBondContact O-N 3.47Å; A818-K821 PolarHBondContact O-N 3.08Å; A818-A822 WeakPolarHBondContact O-CB 3.43Å; A818-A822 PolarHBondContact O-N 3.13Å; A818-L845 HydrophobicContact CB-CD1 3.96Å; A818-L845 HydrophobicContact CB-CD2 3.89Å
819	R	95.6	Very high	95.1	Very high	37 Å²	37	60.3 Å²	60.3	14%	0.14	31%	0.313	C	S	.	.	H	α-helix	trans	-64.6	-42	176.4	-172.9	-179.5	173.5	-145.8	-1.9	111.2	L815 L816 S817 A822 K823 Q842 L845	L815-R819 WeakPolarHBondContact O-CB 3.4Å; L815-R819 PolarHBondContact O-N 2.96Å; L816-R819 PolarHBondContact O-N 3.13Å; S817-R819 VanDerWaalsContact C-N 3.27Å; S817-R819 PolarHBondContact O-N 3.42Å; R819-A822 PolarHBondContact O-N 2.89Å; R819-K823 PolarHBondContact O-N 3.46Å; R819-Q842 HydrophobicContact CG-CB 4.36Å; R819-L845 HydrophobicContact CB-CB 3.86Å; R819-L845 HydrophobicContact CB-CD1 4.24Å; R819-L845 HydrophobicContact CG-CB 4.23Å
820	K	94.6	Very high	94.8	Very high	168 Å²	168	65.8 Å²	65.8	73%	0.73	35%	0.346	S	S	*	.	H	α-helix	trans	-62.5	-42.4	176.1	-172.6	-179.8	178.5	-177.4	0	111.4	L816 S817 A824	L816-K820 PolarHBondContact O-N 3.01Å; S817-K820 WeakPolarHBondContact O-CB 3.37Å; S817-K820 PolarHBondContact O-N 3.21Å; S817-K820 VanDerWaalsContact O-N 3.16Å; K820-A824 WeakPolarHBondContact O-CB 3.24Å; K820-A824 PolarHBondContact O-N 3.42Å; K820-A824 VanDerWaalsContact O-N 3.1Å
821	K	94.4	Very high	94.3	Very high	92 Å²	92	67.7 Å²	67.7	40%	0.4	36%	0.357	S	S	.	.	H	α-helix	trans	-60.1	-51.3	173.4	-178.9	-178.9	170.4	-171.8	0	111.1	E440 S817 A818 K823 A824 E825	E440-K821 IonicContact OE1-NZ 3.89Å; E440-K821 PolarHBondContact OE1-NZ 3.37Å; E440-K821 IonicContact OE2-NZ 3.3Å; E440-K821 PolarHBondContact OE2-NZ 3.41Å; S817-K821 PolarHBondContact O-N 2.88Å; A818-K821 PolarHBondContact O-N 3.08Å; K821-K823 PolarHBondContact O-N 3.47Å; K821-A824 WeakPolarHBondContact O-CB 3.44Å; K821-A824 PolarHBondContact O-N 3.46Å; K821-E825 WeakPolarHBondContact CE-OE1 3.23Å; K821-E825 WeakPolarHBondContact CG-OE1 3.21Å; K821-E825 PolarHBondContact O-N 3.13Å
822	A	92.5	Very high	93.8	Very high	1 Å²	1	71.6 Å²	71.6	1%	0.008	38%	0.383	C	S	.	.	H	α-helix	trans	-59.1	-42.4	179.5	0	0	0	0	0	112.8	A818 R819 A824 E825 L826 R841 Q842 L845	A818-A822 WeakPolarHBondContact O-CB 3.43Å; A818-A822 PolarHBondContact O-N 3.13Å; R819-A822 PolarHBondContact O-N 2.89Å; A822-A824 VanDerWaalsContact C-N 3.34Å; A822-A824 PolarHBondContact O-N 3.11Å; A822-E825 PolarHBondContact O-N 3.31Å; A822-L826 VanDerWaalsContact O-CB 3.3Å; A822-L826 WeakPolarHBondContact O-CB 3.41Å; A822-L826 PolarHBondContact O-N 2.8Å; A822-R841 HydrophobicContact CB-CG 4.36Å; A822-Q842 HydrophobicContact CB-CB 4.1Å; A822-L845 HydrophobicContact CB-CD1 4.34Å
823	K	94.8	Very high	93.1	Very high	104 Å²	104	75 Å²	75	45%	0.452	40%	0.401	S	S	.	.	H	α-helix	trans	-62.9	-38.6	174.1	-77.4	-170.8	167.5	-164.1	0	112.9	R819 K821 A827 Q842	R819-K823 PolarHBondContact O-N 3.46Å; K821-K823 PolarHBondContact O-N 3.47Å; K823-A827 PolarHBondContact O-N 2.93Å; K823-A827 VanDerWaalsContact O-N 3.14Å; K823-Q842 HydrophobicContact CG-CB 4.11Å; K823-Q842 HydrophobicContact CG-CG 4.33Å
824	A	95.5	Very high	92.6	Very high	49 Å²	49	75 Å²	75	41%	0.405	40%	0.396	S	S	.	.	H	α-helix	trans	-70.9	-34.2	178.7	0	0	0	0	0	112.4	K820 K821 A822 K828	K820-A824 WeakPolarHBondContact O-CB 3.24Å; K820-A824 PolarHBondContact O-N 3.42Å; K820-A824 VanDerWaalsContact O-N 3.1Å; K821-A824 WeakPolarHBondContact O-CB 3.44Å; K821-A824 PolarHBondContact O-N 3.46Å; A822-A824 VanDerWaalsContact C-N 3.34Å; A822-A824 PolarHBondContact O-N 3.11Å; A824-K828 WeakPolarHBondContact O-CG 3.12Å
825	E	92.9	Very high	92.3	Very high	77 Å²	77	74.9 Å²	74.9	36%	0.36	39%	0.394	S	S	.	.	H	α-helix	trans	-70.1	-44.9	172.6	-71.5	170	-179.8	0	0	110.9	K821 A822 A827 K828 E829 L838	K821-E825 WeakPolarHBondContact CE-OE1 3.23Å; K821-E825 WeakPolarHBondContact CG-OE1 3.21Å; K821-E825 PolarHBondContact O-N 3.13Å; A822-E825 PolarHBondContact O-N 3.31Å; E825-A827 VanDerWaalsContact C-N 3.27Å; E825-A827 PolarHBondContact O-N 3.01Å; E825-K828 PolarHBondContact O-N 3.25Å; E825-E829 PolarHBondContact O-N 3.15Å; E825-L838 HydrophobicContact CB-CD1 4.03Å; E825-L838 HydrophobicContact CB-CD2 3.96Å
826	L	92.4	Very high	91.8	Very high	42 Å²	42	78.9 Å²	78.9	22%	0.22	41%	0.408	C	S	.	.	H	α-helix	trans	-56.8	-39.7	177.3	179	61.1	0	0	0	112.4	A822 K828 K835 L838 D839 Q842	A822-L826 VanDerWaalsContact O-CB 3.3Å; A822-L826 WeakPolarHBondContact O-CB 3.41Å; A822-L826 PolarHBondContact O-N 2.8Å; L826-K828 PolarHBondContact O-N 2.91Å; L826-K835 HydrophobicContact CD1-CB 4.14Å; L826-K835 HydrophobicContact CD1-CG 4.25Å; L826-K835 WeakPolarHBondContact CD1-O 3.41Å; L826-L838 HydrophobicContact CB-CB 4.05Å; L826-L838 HydrophobicContact CD1-CB 3.99Å; L826-D839 HydrophobicContact CD1-CB 4.3Å; L826-D839 HydrophobicContact CD2-CB 4.08Å; L826-Q842 HydrophobicContact CD2-CG 4.46Å
827	A	94.2	Very high	91.5	Very high	90 Å²	90	77.8 Å²	77.8	74%	0.744	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-20.1	177.7	0	0	0	0	0	113.9	K823 E825	K823-A827 PolarHBondContact O-N 2.93Å; K823-A827 VanDerWaalsContact O-N 3.14Å; E825-A827 VanDerWaalsContact C-N 3.27Å; E825-A827 PolarHBondContact O-N 3.01Å
828	K	94.3	Very high	91.2	Very high	173 Å²	173	75 Å²	75	75%	0.752	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-28.8	-178.7	-66.9	174.9	-175.6	178.7	0	113.3	A824 E825 L826	A824-K828 WeakPolarHBondContact O-CG 3.12Å; E825-K828 PolarHBondContact O-N 3.25Å; L826-K828 PolarHBondContact O-N 2.91Å
829	E	91.1	Very high	91.1	Very high	45 Å²	45	75.9 Å²	75.9	21%	0.21	38%	0.382	C	S	.	.			trans	-63.5	145.5	-177.3	-175	54.4	-98.6	0	0	110.8	E825 D831 R834 K835 L838	E825-E829 PolarHBondContact O-N 3.15Å; E829-D831 WeakPolarHBondContact OE1-CB 3.42Å; E829-D831 PolarHBondContact OE1-N 3.2Å; E829-R834 HydrophobicContact CG-CB 3.6Å; E829-R834 VanDerWaalsContact OE2-CD 3.26Å; E829-R834 WeakPolarHBondContact OE2-CD 3.43Å; E829-K835 HydrophobicContact CB-CG 4.15Å; E829-K835 HydrophobicContact CG-CG 3.99Å; E829-K835 WeakPolarHBondContact O-CE 3.46Å; E829-L838 HydrophobicContact CB-CD1 3.77Å; E829-L838 HydrophobicContact CG-CD1 4.01Å
830	T	91.7	Very high	90.7	Very high	116 Å²	116	74.1 Å²	74.1	71%	0.712	38%	0.376	S	S	*	.			trans	-116.9	-28.2	179.3	54.1	0	0	0	0	112.1
831	D	86.7	Confident	90.6	Very high	64 Å²	64	67.9 Å²	67.9	34%	0.342	35%	0.348	S	S	.	.			trans	-67.3	124.1	-179.9	176.9	80.9	0	0	0	111.4	E829 L833 R834 K835	E829-D831 WeakPolarHBondContact OE1-CB 3.42Å; E829-D831 PolarHBondContact OE1-N 3.2Å; D831-L833 VanDerWaalsContact C-N 3.31Å; D831-L833 PolarHBondContact O-N 2.91Å; D831-L833 WeakPolarHBondContact OD2-CA 3.39Å; D831-L833 WeakPolarHBondContact OD2-CB 3.26Å; D831-L833 PolarHBondContact OD2-N 2.73Å; D831-R834 HydrophobicContact CB-CB 4.1Å; D831-R834 HydrophobicContact CB-CG 4.26Å; D831-R834 PolarHBondContact O-N 3.19Å; D831-R834 WeakPolarHBondContact OD2-CG 3.45Å; D831-R834 PolarHBondContact OD2-N 3.32Å; D831-K835 WeakPolarHBondContact O-CB 3.4Å; D831-K835 WeakPolarHBondContact O-CG 3.08Å; D831-K835 PolarHBondContact O-N 3.31Å
832	P	86.6	Confident	90.6	Very high	90 Å²	90	64.6 Å²	64.6	58%	0.584	33%	0.334	S	S	*	.	H	α-helix	trans	-58.9	-37.5	-177.4	-26.6	35	0	0	0	114.1	R836	P832-R836 WeakPolarHBondContact O-CG 3.4Å; P832-R836 PolarHBondContact O-N 3.47Å
833	L	83.7	Confident	90.5	Very high	72 Å²	72	66.2 Å²	66.2	38%	0.377	34%	0.342	S	S	.	.	H	α-helix	trans	-70.6	-45.6	-179.2	-179.6	63.7	0	0	0	110.6	Y483 D831 R836 V837	Y483-L833 HydrophobicContact CE1-CD1 4.07Å; Y483-L833 WeakPolarHBondContact OH-CD1 3.46Å; D831-L833 VanDerWaalsContact C-N 3.31Å; D831-L833 PolarHBondContact O-N 2.91Å; D831-L833 WeakPolarHBondContact OD2-CA 3.39Å; D831-L833 WeakPolarHBondContact OD2-CB 3.26Å; D831-L833 PolarHBondContact OD2-N 2.73Å; L833-R836 WeakPolarHBondContact O-CB 3.37Å; L833-R836 PolarHBondContact O-N 3.05Å; L833-V837 WeakPolarHBondContact O-CG2 3.45Å; L833-V837 PolarHBondContact O-N 3.4Å; L833-V837 VanDerWaalsContact O-N 3.07Å
834	R	86.1	Confident	90.4	Very high	115 Å²	115	61.4 Å²	61.4	43%	0.434	32%	0.322	S	S	.	.	H	α-helix	trans	-65.4	-36.7	176.1	-71.1	-174.1	174.4	153.6	3	112.6	E829 D831 R836 V837 L838	E829-R834 HydrophobicContact CG-CB 3.6Å; E829-R834 VanDerWaalsContact OE2-CD 3.26Å; E829-R834 WeakPolarHBondContact OE2-CD 3.43Å; D831-R834 HydrophobicContact CB-CB 4.1Å; D831-R834 HydrophobicContact CB-CG 4.26Å; D831-R834 PolarHBondContact O-N 3.19Å; D831-R834 WeakPolarHBondContact OD2-CG 3.45Å; D831-R834 PolarHBondContact OD2-N 3.32Å; R834-R836 VanDerWaalsContact C-N 3.34Å; R834-R836 PolarHBondContact O-N 3.2Å; R834-V837 PolarHBondContact O-N 2.94Å; R834-L838 WeakPolarHBondContact O-CB 3.43Å; R834-L838 WeakPolarHBondContact O-CG 3.42Å; R834-L838 PolarHBondContact O-N 2.97Å
835	K	89.9	Confident	90.3	Very high	80 Å²	80	59.3 Å²	59.3	35%	0.348	30%	0.304	S	S	.	.	H	α-helix	trans	-56.8	-47.3	171.2	-79.9	-175	177.2	179.8	0	111.7	L826 E829 D831 V837 L838 D839	L826-K835 HydrophobicContact CD1-CB 4.14Å; L826-K835 HydrophobicContact CD1-CG 4.25Å; L826-K835 WeakPolarHBondContact CD1-O 3.41Å; E829-K835 HydrophobicContact CB-CG 4.15Å; E829-K835 HydrophobicContact CG-CG 3.99Å; E829-K835 WeakPolarHBondContact O-CE 3.46Å; D831-K835 WeakPolarHBondContact O-CB 3.4Å; D831-K835 WeakPolarHBondContact O-CG 3.08Å; D831-K835 PolarHBondContact O-N 3.31Å; K835-V837 VanDerWaalsContact C-N 3.33Å; K835-V837 PolarHBondContact O-N 3.38Å; K835-L838 PolarHBondContact O-N 3.2Å; K835-D839 WeakPolarHBondContact O-CB 3.43Å; K835-D839 PolarHBondContact O-N 2.95Å
836	R	86.7	Confident	90.3	Very high	95 Å²	95	57 Å²	57	36%	0.358	29%	0.292	S	S	.	.	H	α-helix	trans	-59.7	-43	176.2	-67.7	179.9	-160.3	-169.9	3.5	111.6	D663 M666 P832 L833 R834 D839 G840	D663-R836 IonicContact OD1-NH1 2.8Å; D663-R836 PolarHBondContact OD1-NH1 2.92Å; D663-R836 IonicContact OD2-NH1 2.7Å; D663-R836 PolarHBondContact OD2-NH1 3.25Å; M666-R836 HydrophobicContact SD-CB 4.23Å; M666-R836 HydrophobicContact SD-CG 4.07Å; P832-R836 WeakPolarHBondContact O-CG 3.4Å; P832-R836 PolarHBondContact O-N 3.47Å; L833-R836 WeakPolarHBondContact O-CB 3.37Å; L833-R836 PolarHBondContact O-N 3.05Å; R834-R836 VanDerWaalsContact C-N 3.34Å; R834-R836 PolarHBondContact O-N 3.2Å; R836-D839 PolarHBondContact O-N 2.89Å; R836-G840 PolarHBondContact O-N 3.4Å
837	V	87.6	Confident	90.2	Very high	15 Å²	15	58.1 Å²	58.1	9%	0.091	30%	0.298	C	S	.	.	H	α-helix	trans	-61.9	-47.1	176.9	175.2	0	0	0	0	111.7	I446 V669 E673 L833 R834 K835 D839 G840 R841	I446-V837 HydrophobicContact CD1-CG2 3.91Å; V669-V837 HydrophobicContact CG1-CB 4.45Å; V669-V837 HydrophobicContact CG1-CG2 4.23Å; E673-V837 HydrophobicContact CG-CG1 4.47Å; L833-V837 WeakPolarHBondContact O-CG2 3.45Å; L833-V837 PolarHBondContact O-N 3.4Å; L833-V837 VanDerWaalsContact O-N 3.07Å; R834-V837 PolarHBondContact O-N 2.94Å; K835-V837 VanDerWaalsContact C-N 3.33Å; K835-V837 PolarHBondContact O-N 3.38Å; V837-D839 PolarHBondContact O-N 3.29Å; V837-G840 PolarHBondContact O-N 3.42Å; V837-R841 WeakPolarHBondContact O-CB 3.22Å; V837-R841 PolarHBondContact O-N 2.92Å
838	L	90.6	Very high	90.1	Very high	21 Å²	21	53.9 Å²	53.9	11%	0.11	26%	0.263	C	S	.	.	H	α-helix	trans	-66.5	-36.1	179.4	-71.7	168.9	0	0	0	112.5	E825 L826 E829 R834 K835 R841 Q842	E825-L838 HydrophobicContact CB-CD1 4.03Å; E825-L838 HydrophobicContact CB-CD2 3.96Å; L826-L838 HydrophobicContact CB-CB 4.05Å; L826-L838 HydrophobicContact CD1-CB 3.99Å; E829-L838 HydrophobicContact CB-CD1 3.77Å; E829-L838 HydrophobicContact CG-CD1 4.01Å; R834-L838 WeakPolarHBondContact O-CB 3.43Å; R834-L838 WeakPolarHBondContact O-CG 3.42Å; R834-L838 PolarHBondContact O-N 2.97Å; K835-L838 PolarHBondContact O-N 3.2Å; L838-R841 PolarHBondContact O-N 3.49Å; L838-Q842 PolarHBondContact O-N 3.22Å
839	D	91	Very high	90.1	Very high	47 Å²	47	45.7 Å²	45.7	25%	0.251	23%	0.228	S	C	.	.	H	α-helix	trans	-68.7	-45.6	174.9	-171.8	44	0	0	0	112.1	L826 K835 R836 V837 R841 Q842 L843	L826-D839 HydrophobicContact CD1-CB 4.3Å; L826-D839 HydrophobicContact CD2-CB 4.08Å; K835-D839 WeakPolarHBondContact O-CB 3.43Å; K835-D839 PolarHBondContact O-N 2.95Å; R836-D839 PolarHBondContact O-N 2.89Å; V837-D839 PolarHBondContact O-N 3.29Å; D839-R841 PolarHBondContact O-N 3.07Å; D839-Q842 WeakPolarHBondContact O-CG 3.43Å; D839-Q842 PolarHBondContact O-N 3.43Å; D839-Q842 PolarHBondContact O-NE2 3.44Å; D839-Q842 PolarHBondContact OD1-NE2 2.9Å; D839-L843 WeakPolarHBondContact O-CB 3.43Å; D839-L843 PolarHBondContact O-N 2.87Å
840	G	88.5	Confident	90	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58	-37	172.5	0	0	0	0	0	112.4	N670 R836 V837 A844	N670-G840 WeakPolarHBondContact OD1-CA 3.33Å; R836-G840 PolarHBondContact O-N 3.4Å; V837-G840 PolarHBondContact O-N 3.42Å; G840-A844 VanDerWaalsContact O-CB 3.31Å; G840-A844 WeakPolarHBondContact O-CB 3.25Å; G840-A844 PolarHBondContact O-N 2.94Å
841	R	92.2	Very high	90	Very high	37 Å²	37	40.3 Å²	40.3	14%	0.14	20%	0.197	C	C	.	.	H	α-helix	trans	-65.9	-48.6	175.5	-172.4	175.2	-176.5	83.7	-5.7	112.8	E673 A822 V837 L838 D839 L843 A844 L845	E673-R841 HydrophobicContact CB-CB 4.32Å; E673-R841 HydrophobicContact CG-CB 3.96Å; E673-R841 WeakPolarHBondContact OE2-CB 2.96Å; E673-R841 WeakPolarHBondContact OE2-CG 3.31Å; E673-R841 IonicContact OE2-CZ 3.22Å; E673-R841 IonicContact OE2-NH1 3.75Å; E673-R841 PolarHBondContact OE2-NH1 3.41Å; A822-R841 HydrophobicContact CB-CG 4.36Å; V837-R841 WeakPolarHBondContact O-CB 3.22Å; V837-R841 PolarHBondContact O-N 2.92Å; L838-R841 PolarHBondContact O-N 3.49Å; D839-R841 PolarHBondContact O-N 3.07Å; R841-L843 VanDerWaalsContact C-N 3.26Å; R841-L843 PolarHBondContact O-N 3.31Å; R841-A844 PolarHBondContact O-N 3.47Å; R841-L845 HydrophobicContact CG-CD1 3.92Å; R841-L845 WeakPolarHBondContact O-CD1 3.47Å; R841-L845 VanDerWaalsContact O-CG 3.28Å; R841-L845 WeakPolarHBondContact O-CG 3.23Å; R841-L845 PolarHBondContact O-N 3.39Å
842	Q	94.1	Very high	90.3	Very high	24 Å²	24	37.3 Å²	37.3	11%	0.112	18%	0.181	C	C	.	.	H	α-helix	trans	-64.7	-34.2	-180	74.4	73.9	35.1	0	0	111.8	R819 A822 K823 L826 L838 D839 K846	R819-Q842 HydrophobicContact CG-CB 4.36Å; A822-Q842 HydrophobicContact CB-CB 4.1Å; K823-Q842 HydrophobicContact CG-CB 4.11Å; K823-Q842 HydrophobicContact CG-CG 4.33Å; L826-Q842 HydrophobicContact CD2-CG 4.46Å; L838-Q842 PolarHBondContact O-N 3.22Å; D839-Q842 WeakPolarHBondContact O-CG 3.43Å; D839-Q842 PolarHBondContact O-N 3.43Å; D839-Q842 PolarHBondContact O-NE2 3.44Å; D839-Q842 PolarHBondContact OD1-NE2 2.9Å; Q842-K846 PolarHBondContact O-N 2.63Å
843	L	90.7	Very high	90.6	Very high	35 Å²	35	33.5 Å²	33.5	18%	0.183	16%	0.156	C	C	.	.	H	α-helix	trans	-67.8	-46	174.7	-177.7	59.4	0	0	0	111.5	D839 R841 L845 K846 I847	D839-L843 WeakPolarHBondContact O-CB 3.43Å; D839-L843 PolarHBondContact O-N 2.87Å; R841-L843 VanDerWaalsContact C-N 3.26Å; R841-L843 PolarHBondContact O-N 3.31Å; L843-L845 VanDerWaalsContact C-N 3.28Å; L843-L845 PolarHBondContact O-N 3.16Å; L843-K846 WeakPolarHBondContact O-CB 3.38Å; L843-K846 PolarHBondContact O-N 3.26Å; L843-K846 VanDerWaalsContact O-N 3.16Å; L843-I847 HydrophobicContact CD1-CD1 3.94Å; L843-I847 HydrophobicContact CD1-CG1 4.25Å; L843-I847 HydrophobicContact CG-CD1 3.87Å; L843-I847 WeakPolarHBondContact O-CG1 3.36Å; L843-I847 PolarHBondContact O-N 2.9Å
844	A	91.5	Very high	90.8	Very high	3 Å²	3	31.2 Å²	31.2	3%	0.025	15%	0.149	C	C	.	.	H	α-helix	trans	-58.7	-39.8	176.7	0	0	0	0	0	112.6	E673 M674 V677 G840 R841 S848	E673-A844 HydrophobicContact CB-CB 4.23Å; M674-A844 HydrophobicContact CB-CB 4.26Å; M674-A844 HydrophobicContact CE-CB 4Å; V677-A844 HydrophobicContact CG2-CB 4.19Å; G840-A844 VanDerWaalsContact O-CB 3.31Å; G840-A844 WeakPolarHBondContact O-CB 3.25Å; G840-A844 PolarHBondContact O-N 2.94Å; R841-A844 PolarHBondContact O-N 3.47Å; A844-S848 VanDerWaalsContact O-CB 3.28Å; A844-S848 WeakPolarHBondContact O-CB 3.4Å; A844-S848 PolarHBondContact O-N 3.25Å; A844-S848 PolarHBondContact O-OG 2.86Å
845	L	94	Very high	91.1	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.026	13%	0.13	C	C	.	.	H	α-helix	trans	-68.1	-40.8	175.8	-69.4	161	0	0	0	112.1	V677 L815 A818 R819 A822 R841 L843 S848 A849	V677-L845 HydrophobicContact CB-CD2 4.39Å; V677-L845 HydrophobicContact CG1-CD2 3.69Å; V677-L845 HydrophobicContact CG1-CG 4.34Å; V677-L845 HydrophobicContact CG2-CD2 3.73Å; V677-L845 HydrophobicContact CG2-CG 3.83Å; L815-L845 HydrophobicContact CD2-CD2 3.77Å; A818-L845 HydrophobicContact CB-CD1 3.96Å; A818-L845 HydrophobicContact CB-CD2 3.89Å; R819-L845 HydrophobicContact CB-CB 3.86Å; R819-L845 HydrophobicContact CB-CD1 4.24Å; R819-L845 HydrophobicContact CG-CB 4.23Å; A822-L845 HydrophobicContact CB-CD1 4.34Å; R841-L845 HydrophobicContact CG-CD1 3.92Å; R841-L845 WeakPolarHBondContact O-CD1 3.47Å; R841-L845 VanDerWaalsContact O-CG 3.28Å; R841-L845 WeakPolarHBondContact O-CG 3.23Å; R841-L845 PolarHBondContact O-N 3.39Å; L843-L845 VanDerWaalsContact C-N 3.28Å; L843-L845 PolarHBondContact O-N 3.16Å; L845-S848 PolarHBondContact O-N 2.93Å; L845-A849 WeakPolarHBondContact O-CB 3.04Å; L845-A849 PolarHBondContact O-N 3.32Å
846	K	93.3	Very high	91.2	Very high	28 Å²	28	22.3 Å²	22.3	12%	0.122	11%	0.114	C	C	.	.	H	α-helix	trans	-57.9	-53.4	174.1	-174.3	-171.9	-174.2	-174.2	0	110.7	I43 E44 Q842 L843 S848 A849 N850	I43-K846 HydrophobicContact CG2-CD 4.42Å; E44-K846 IonicContact OE2-NZ 2.96Å; E44-K846 PolarHBondContact OE2-NZ 3.41Å; Q842-K846 PolarHBondContact O-N 2.63Å; L843-K846 WeakPolarHBondContact O-CB 3.38Å; L843-K846 PolarHBondContact O-N 3.26Å; L843-K846 VanDerWaalsContact O-N 3.16Å; K846-S848 PolarHBondContact O-N 2.74Å; K846-A849 PolarHBondContact O-N 3.43Å; K846-N850 PolarHBondContact O-N 3.46Å; K846-N850 VanDerWaalsContact O-N 3.15Å
847	I	89.9	Confident	91.3	Very high	65 Å²	65	17.9 Å²	17.9	33%	0.333	10%	0.097	S	C	.	.	H	α-helix	trans	-63.4	-43.1	-178	-66.3	167.9	0	0	0	110.6	M674 L843 N850 S851	M674-I847 HydrophobicContact CE-CB 3.94Å; M674-I847 HydrophobicContact CE-CD1 4.29Å; M674-I847 HydrophobicContact CE-CG2 3.83Å; L843-I847 HydrophobicContact CD1-CD1 3.94Å; L843-I847 HydrophobicContact CD1-CG1 4.25Å; L843-I847 HydrophobicContact CG-CD1 3.87Å; L843-I847 WeakPolarHBondContact O-CG1 3.36Å; L843-I847 PolarHBondContact O-N 2.9Å; I847-N850 PolarHBondContact O-N 2.91Å; I847-S851 WeakPolarHBondContact O-CB 3.28Å; I847-S851 PolarHBondContact O-N 3.4Å; I847-S851 PolarHBondContact O-OG 2.78Å
848	S	92.7	Very high	91.1	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.014	10%	0.098	C	C	.	.	H	α-helix	trans	-62.9	-43.5	178.7	-67.7	0	0	0	0	112.2	T678 A844 L845 K846 N850 S851 V852	T678-S848 VanDerWaalsContact CG2-OG 3.25Å; T678-S848 WeakPolarHBondContact CG2-OG 3.37Å; A844-S848 VanDerWaalsContact O-CB 3.28Å; A844-S848 WeakPolarHBondContact O-CB 3.4Å; A844-S848 PolarHBondContact O-N 3.25Å; A844-S848 PolarHBondContact O-OG 2.86Å; L845-S848 PolarHBondContact O-N 2.93Å; K846-S848 PolarHBondContact O-N 2.74Å; S848-N850 PolarHBondContact O-N 3.27Å; S848-S851 WeakPolarHBondContact O-CB 3.42Å; S848-S851 PolarHBondContact O-N 3.4Å; S848-V852 WeakPolarHBondContact O-CG2 3.31Å; S848-V852 PolarHBondContact O-N 3.29Å
849	A	93.6	Very high	90.4	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.008	11%	0.107	C	C	.	.	H	α-helix	trans	-61.7	-45.2	178.3	0	0	0	0	0	111.7	L812 L815 L816 L845 K846 S851 V852	L812-A849 HydrophobicContact CD2-CB 4.33Å; L812-A849 WeakPolarHBondContact CD2-O 3.42Å; L815-A849 HydrophobicContact CB-CB 4.24Å; L815-A849 HydrophobicContact CD1-CB 4.26Å; L816-A849 HydrophobicContact CD2-CB 4.17Å; L845-A849 WeakPolarHBondContact O-CB 3.04Å; L845-A849 PolarHBondContact O-N 3.32Å; K846-A849 PolarHBondContact O-N 3.43Å; A849-S851 VanDerWaalsContact C-N 3.27Å; A849-S851 PolarHBondContact O-N 3.07Å; A849-V852 PolarHBondContact O-N 3.19Å
850	N	89.3	Confident	89.6	Confident	29 Å²	29	22.3 Å²	22.3	16%	0.155	12%	0.124	C	C	.	.	H	α-helix	trans	-65.8	-31.4	178	-70.1	-10.5	0	0	0	112.5	L40 K846 I847 S848 V852	L40-N850 HydrophobicContact CD2-CB 3.79Å; K846-N850 PolarHBondContact O-N 3.46Å; K846-N850 VanDerWaalsContact O-N 3.15Å; I847-N850 PolarHBondContact O-N 2.91Å; S848-N850 PolarHBondContact O-N 3.27Å; N850-V852 VanDerWaalsContact C-N 3.29Å; N850-V852 PolarHBondContact O-N 3.25Å
851	S	90.9	Very high	89.1	Confident	19 Å²	19	22.4 Å²	22.4	13%	0.133	13%	0.125	C	C	.	.	H	α-helix	trans	-68.4	-24	-180	-62	0	0	0	0	113.7	I847 S848 A849 Y853 G854 F855	I847-S851 WeakPolarHBondContact O-CB 3.28Å; I847-S851 PolarHBondContact O-N 3.4Å; I847-S851 PolarHBondContact O-OG 2.78Å; S848-S851 WeakPolarHBondContact O-CB 3.42Å; S848-S851 PolarHBondContact O-N 3.4Å; A849-S851 VanDerWaalsContact C-N 3.27Å; A849-S851 PolarHBondContact O-N 3.07Å; S851-Y853 PolarHBondContact O-N 3.47Å; S851-G854 PolarHBondContact O-N 2.91Å; S851-F855 PolarHBondContact O-N 2.97Å
852	V	93.4	Very high	88.7	Confident	1 Å²	1	25.1 Å²	25.1	1%	0.006	14%	0.138	C	C	.	.	H	α-helix	trans	-62.2	-44	-178.2	179.8	0	0	0	0	111.6	M750 L808 I811 L812 L815 S848 A849 N850 F855 T856	M750-V852 HydrophobicContact CE-CG1 4.08Å; L808-V852 HydrophobicContact CD2-CG1 3.76Å; I811-V852 HydrophobicContact CG2-CG2 4.36Å; L812-V852 HydrophobicContact CD1-CG1 4.47Å; L812-V852 HydrophobicContact CD2-CB 3.84Å; L812-V852 HydrophobicContact CD2-CG1 4.23Å; L812-V852 HydrophobicContact CD2-CG2 3.78Å; L812-V852 HydrophobicContact CG-CB 4.45Å; L812-V852 HydrophobicContact CG-CG1 4.3Å; L812-V852 HydrophobicContact CG-CG2 4.48Å; L815-V852 HydrophobicContact CD1-CG2 4.35Å; S848-V852 WeakPolarHBondContact O-CG2 3.31Å; S848-V852 PolarHBondContact O-N 3.29Å; A849-V852 PolarHBondContact O-N 3.19Å; N850-V852 VanDerWaalsContact C-N 3.29Å; N850-V852 PolarHBondContact O-N 3.25Å; V852-F855 WeakPolarHBondContact O-CB 3.38Å; V852-F855 PolarHBondContact O-N 2.96Å; V852-T856 PolarHBondContact O-N 3.06Å
853	Y	92.7	Very high	88.5	Confident	10 Å²	10	24.2 Å²	24.2	4%	0.039	13%	0.134	C	C	.	.	H	α-helix	trans	-60.2	-53	174.4	155	-105.5	0	0	0	110.8	E36 Y746 S851 F855 T856 G857 V872 T873	E36-Y853 PolarHBondContact OE2-OH 3.2Å; Y746-Y853 AromaticContact CD2-CD1 3.41Å; Y746-Y853 HydrophobicContact CD2-CD1 3.41Å; Y746-Y853 VanDerWaalsContact CD2-CD1 3.41Å; Y746-Y853 HydrophobicContact CD2-CD2 4.26Å; Y746-Y853 AromaticContact CD2-CE1 3.64Å; Y746-Y853 HydrophobicContact CD2-CE1 3.64Å; Y746-Y853 HydrophobicContact CD2-CE2 4.45Å; Y746-Y853 AromaticContact CD2-CG 3.75Å; Y746-Y853 HydrophobicContact CD2-CG 3.75Å; Y746-Y853 AromaticContact CE2-CD1 3.83Å; Y746-Y853 HydrophobicContact CE2-CD1 3.83Å; Y746-Y853 AromaticContact CE2-CE1 3.52Å; Y746-Y853 HydrophobicContact CE2-CE1 3.52Å; Y746-Y853 HydrophobicContact CE2-CG 4.45Å; Y746-Y853 AromaticContact CE2-CZ 3.92Å; Y746-Y853 HydrophobicContact CG-CD1 4.38Å; Y746-Y853 HydrophobicContact CG-CG 4.3Å; S851-Y853 PolarHBondContact O-N 3.47Å; Y853-F855 PolarHBondContact O-N 2.9Å; Y853-F855 VanDerWaalsContact O-N 3.13Å; Y853-T856 PolarHBondContact O-N 2.78Å; Y853-T856 PolarHBondContact O-OG1 3.38Å; Y853-G857 PolarHBondContact O-N 3.21Å; Y853-V872 HydrophobicContact CD2-CB 4.28Å; Y853-V872 HydrophobicContact CD2-CG1 4.01Å; Y853-V872 HydrophobicContact CE2-CB 4.43Å; Y853-V872 HydrophobicContact CE2-CG1 4.3Å; Y853-T873 HydrophobicContact CE2-CG2 4.14Å; Y853-T873 VanDerWaalsContact OH-CG2 3.29Å; Y853-T873 WeakPolarHBondContact OH-CG2 3.4Å
854	G	89	Confident	88.4	Confident	24 Å²	24	23.2 Å²	23.2	25%	0.247	13%	0.129	C	C	.	.	H	α-helix	trans	-58.1	-31	-177.4	0	0	0	0	0	112.9	S851 G857 A858	S851-G854 PolarHBondContact O-N 2.91Å; G854-G857 PolarHBondContact O-N 3.27Å; G854-A858 PolarHBondContact O-N 2.78Å
855	F	91.2	Very high	88.5	Confident	8 Å²	8	23.1 Å²	23.1	4%	0.035	13%	0.128	C	C	.	.	H	α-helix	trans	-63	-41.4	173.5	179.2	-98.4	0	0	0	113	Q691 V694 V695 L698 Y757 S851 V852 Y853 G857 K862 L863	Q691-F855 HydrophobicContact CB-CD2 4.22Å; Q691-F855 HydrophobicContact CB-CE2 4.2Å; Q691-F855 HydrophobicContact CG-CD2 4.19Å; Q691-F855 HydrophobicContact CG-CE2 4.46Å; V694-F855 HydrophobicContact CB-CB 3.98Å; V694-F855 HydrophobicContact CB-CD1 4.29Å; V694-F855 HydrophobicContact CB-CD2 3.76Å; V694-F855 HydrophobicContact CB-CE2 4.32Å; V694-F855 HydrophobicContact CB-CG 3.74Å; V694-F855 HydrophobicContact CG1-CB 3.73Å; V694-F855 HydrophobicContact CG1-CD1 3.56Å; V694-F855 HydrophobicContact CG1-CD2 3.97Å; V694-F855 HydrophobicContact CG1-CE1 4.14Å; V694-F855 HydrophobicContact CG1-CE2 4.5Å; V694-F855 HydrophobicContact CG1-CG 3.46Å; V694-F855 VanDerWaalsContact CG1-CG 3.46Å; V694-F855 HydrophobicContact CG2-CB 4Å; V694-F855 HydrophobicContact CG2-CD2 4.44Å; V694-F855 HydrophobicContact CG2-CG 4.31Å; V695-F855 HydrophobicContact CG2-CE2 3.58Å; V695-F855 HydrophobicContact CG2-CZ 3.64Å; L698-F855 HydrophobicContact CD1-CD1 4.1Å; L698-F855 HydrophobicContact CD1-CE1 3.45Å; L698-F855 VanDerWaalsContact CD1-CE1 3.45Å; L698-F855 HydrophobicContact CD1-CZ 4.11Å; Y757-F855 WeakPolarHBondContact OH-CD1 3.15Å; Y757-F855 WeakPolarHBondContact OH-CE1 3.21Å; S851-F855 PolarHBondContact O-N 2.97Å; V852-F855 WeakPolarHBondContact O-CB 3.38Å; V852-F855 PolarHBondContact O-N 2.96Å; Y853-F855 PolarHBondContact O-N 2.9Å; Y853-F855 VanDerWaalsContact O-N 3.13Å; F855-G857 VanDerWaalsContact C-N 3.33Å; F855-G857 PolarHBondContact O-N 3.31Å; F855-K862 HydrophobicContact CE2-CB 4.24Å; F855-K862 HydrophobicContact CZ-CB 4.3Å; F855-L863 HydrophobicContact CE1-CB 3.91Å; F855-L863 HydrophobicContact CZ-CB 3.87Å
856	T	92.8	Very high	88.3	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-69.4	-29.5	178.7	68	0	0	0	0	112.7	L808 V852 Y853 C865 I868	L808-T856 HydrophobicContact CD1-CG2 3.79Å; V852-T856 PolarHBondContact O-N 3.06Å; Y853-T856 PolarHBondContact O-N 2.78Å; Y853-T856 PolarHBondContact O-OG1 3.38Å; T856-C865 CarbonylContact O-C 3.57Å; T856-C865 PolarHBondContact O-N 3.46Å; T856-I868 HydrophobicContact CG2-CB 4.4Å; T856-I868 HydrophobicContact CG2-CD1 4.39Å; T856-I868 HydrophobicContact CG2-CG2 3.94Å
857	G	89.4	Confident	88.3	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.01	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	3.8	-180	0	0	0	0	0	115.3	Y853 G854 F855 Q859	Y853-G857 PolarHBondContact O-N 3.21Å; G854-G857 PolarHBondContact O-N 3.27Å; F855-G857 VanDerWaalsContact C-N 3.33Å; F855-G857 PolarHBondContact O-N 3.31Å; G857-Q859 PolarHBondContact O-N 2.74Å
858	A	83.5	Confident	88.6	Confident	14 Å²	14	24.2 Å²	24.2	12%	0.116	13%	0.134	C	C	.	.			trans	-72.9	114.3	-176.1	0	0	0	0	0	112	G854 V860 P864	G854-A858 PolarHBondContact O-N 2.78Å; A858-V860 VanDerWaalsContact C-N 3.29Å; A858-V860 PolarHBondContact O-N 3.15Å; A858-P864 WeakPolarHBondContact O-CB 3.48Å
859	Q	75.9	Confident	88.6	Confident	61 Å²	61	24.1 Å²	24.1	29%	0.285	13%	0.133	S	C	.	.	S	Bend	trans	-56.3	-40	179	-69.9	175.4	-29.9	0	0	113.6	G857	G857-Q859 PolarHBondContact O-N 2.74Å
860	V	73.8	Confident	88.7	Confident	102 Å²	102	24.8 Å²	24.8	62%	0.618	14%	0.139	S	C	*	.	S	Bend	trans	-113.7	96.8	172.3	-178.1	0	0	0	0	107.1	Q691 A858	Q691-V860 PolarHBondContact NE2-O 3.1Å; A858-V860 VanDerWaalsContact C-N 3.29Å; A858-V860 PolarHBondContact O-N 3.15Å
861	G	77.3	Confident	89	Confident	2 Å²	2	23.4 Å²	23.4	2%	0.021	13%	0.131	C	C	.	.			trans	-140.1	168	-173.7	0	0	0	0	0	114.5	S714	S714-G861 PolarHBondContact OG-O 3.22Å
862	K	84.1	Confident	89.3	Confident	94 Å²	94	22.5 Å²	22.5	41%	0.409	13%	0.125	S	C	.	.	S	Bend	trans	-74.9	-24.3	174.3	-68	-76.6	-172.5	170.1	0	113.2	V695 Y712 F855	V695-K862 HydrophobicContact CG2-CB 3.67Å; V695-K862 HydrophobicContact CG2-CG 3.99Å; Y712-K862 WeakPolarHBondContact CB-O 3.36Å; F855-K862 HydrophobicContact CE2-CB 4.24Å; F855-K862 HydrophobicContact CZ-CB 4.3Å
863	L	90	Very high	89.3	Confident	4 Å²	4	22.5 Å²	22.5	2%	0.021	13%	0.125	C	C	.	.	S	Bend	trans	-161.3	62.6	177.7	-163.4	67.1	0	0	0	112.3	I297 Y298 P710 Y712 Y757 F855	I297-L863 HydrophobicContact CG2-CD2 4.33Å; Y298-L863 HydrophobicContact CD2-CD1 3.8Å; Y298-L863 HydrophobicContact CD2-CG 4.22Å; Y298-L863 HydrophobicContact CE2-CD1 4.23Å; Y298-L863 HydrophobicContact CE2-CG 4.44Å; P710-L863 HydrophobicContact CG-CD1 3.67Å; Y712-L863 HydrophobicContact CD2-CD1 4.39Å; Y757-L863 HydrophobicContact CD1-CD2 4.16Å; Y757-L863 HydrophobicContact CD1-CG 4.3Å; Y757-L863 HydrophobicContact CD2-CD2 4.27Å; Y757-L863 HydrophobicContact CE1-CD2 3.9Å; Y757-L863 HydrophobicContact CE1-CG 3.8Å; Y757-L863 WeakPolarHBondContact CE1-O 3.37Å; Y757-L863 HydrophobicContact CE2-CD2 4.03Å; Y757-L863 HydrophobicContact CG-CD2 4.35Å; Y757-L863 PolarHBondContact OH-O 3.47Å; F855-L863 HydrophobicContact CE1-CB 3.91Å; F855-L863 HydrophobicContact CZ-CB 3.87Å
864	P	89.3	Confident	89.4	Confident	14 Å²	14	22.3 Å²	22.3	9%	0.091	13%	0.125	C	C	.	.			trans	-65.6	148	179.4	28.4	-34.5	0	0	0	113.3	Y298 Y712 A858	Y298-P864 PolarHBondContact OH-O 3.38Å; Y712-P864 HydrophobicContact CD1-CG 4.16Å; Y712-P864 HydrophobicContact CE1-CG 3.52Å; A858-P864 WeakPolarHBondContact O-CB 3.48Å
865	C	91.9	Very high	89.8	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.007	12%	0.118	C	C	.	.			trans	-149.7	97.5	174.9	-176.8	0	0	0	0	110	Y298 Y757 T856 E867 I868 S869	Y298-C865 HydrophobicContact CE2-CB 4.43Å; Y757-C865 HydrophobicContact CD1-CB 3.9Å; Y757-C865 HydrophobicContact CE1-CB 3.45Å; Y757-C865 VanDerWaalsContact CE1-CB 3.45Å; T856-C865 CarbonylContact O-C 3.57Å; T856-C865 PolarHBondContact O-N 3.46Å; C865-E867 VanDerWaalsContact C-N 3.26Å; C865-E867 PolarHBondContact O-N 3.12Å; C865-I868 HydrophobicContact CB-CB 4.49Å; C865-I868 HydrophobicContact CB-CD1 3.91Å; C865-I868 HydrophobicContact CB-CG1 4.3Å; C865-I868 PolarHBondContact O-N 3.35Å; C865-I868 VanDerWaalsContact SG-CD1 3.57Å; C865-I868 VanDerWaalsContact SG-CG1 3.56Å; C865-S869 PolarHBondContact O-N 3.22Å; C865-S869 PolarHBondContact O-OG 3.05Å
866	L	90.8	Very high	89.9	Confident	47 Å²	47	22 Å²	22	25%	0.246	12%	0.118	C	C	.	.	H	α-helix	trans	-67.6	-30.1	-177.6	-65.8	-178	0	0	0	111.6	D718 F720 I868 S869 A870	D718-L866 HydrophobicContact CB-CD1 3.96Å; D718-L866 WeakPolarHBondContact O-CD1 3.06Å; F720-L866 HydrophobicContact CD1-CD2 3.76Å; F720-L866 HydrophobicContact CE1-CD2 4.23Å; L866-I868 PolarHBondContact O-N 3.45Å; L866-S869 WeakPolarHBondContact CA-OG 3.5Å; L866-S869 PolarHBondContact O-N 3.23Å; L866-S869 PolarHBondContact O-OG 2.87Å; L866-A870 WeakPolarHBondContact O-CB 3.24Å; L866-A870 PolarHBondContact O-N 2.84Å
867	E	93.3	Very high	89.9	Confident	75 Å²	75	24.2 Å²	24.2	35%	0.35	13%	0.127	S	C	.	.	H	α-helix	trans	-59.1	-35.8	175.8	-64.2	88.4	157	0	0	111.5	L760 A796 F798 C865 S871	L760-E867 HydrophobicContact CD1-CB 3.83Å; L760-E867 HydrophobicContact CD1-CG 4.17Å; L760-E867 HydrophobicContact CD2-CB 4.31Å; L760-E867 HydrophobicContact CD2-CG 4.44Å; A796-E867 HydrophobicContact CB-CB 4.13Å; A796-E867 HydrophobicContact CB-CG 4.46Å; F798-E867 HydrophobicContact CZ-CB 4.36Å; C865-E867 VanDerWaalsContact C-N 3.26Å; C865-E867 PolarHBondContact O-N 3.12Å; E867-S871 WeakPolarHBondContact O-CB 3.49Å; E867-S871 PolarHBondContact O-N 3.19Å; E867-S871 PolarHBondContact O-OG 3.23Å
868	I	95.7	Very high	90.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-75.5	-57.8	175.8	-65.4	167.7	0	0	0	110	M750 L755 Y757 F798 L808 T856 C865 L866 A870 S871 V872	M750-I868 HydrophobicContact CE-CG2 4.03Å; L755-I868 HydrophobicContact CB-CG2 4.33Å; Y757-I868 HydrophobicContact CD1-CD1 4.15Å; Y757-I868 HydrophobicContact CE1-CD1 4.28Å; Y757-I868 HydrophobicContact CG-CD1 4.28Å; F798-I868 HydrophobicContact CE1-CG1 3.84Å; F798-I868 HydrophobicContact CZ-CG1 3.93Å; L808-I868 HydrophobicContact CD1-CD1 3.99Å; T856-I868 HydrophobicContact CG2-CB 4.4Å; T856-I868 HydrophobicContact CG2-CD1 4.39Å; T856-I868 HydrophobicContact CG2-CG2 3.94Å; C865-I868 HydrophobicContact CB-CB 4.49Å; C865-I868 HydrophobicContact CB-CD1 3.91Å; C865-I868 HydrophobicContact CB-CG1 4.3Å; C865-I868 PolarHBondContact O-N 3.35Å; C865-I868 VanDerWaalsContact SG-CD1 3.57Å; C865-I868 VanDerWaalsContact SG-CG1 3.56Å; L866-I868 PolarHBondContact O-N 3.45Å; I868-A870 PolarHBondContact O-N 2.89Å; I868-S871 PolarHBondContact O-N 3.28Å; I868-S871 VanDerWaalsContact O-N 3.14Å; I868-V872 HydrophobicContact CG2-CG2 4.34Å; I868-V872 WeakPolarHBondContact O-CG2 3.08Å; I868-V872 PolarHBondContact O-N 2.97Å
869	S	93.7	Very high	90.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63	-41.1	-173.7	49.9	0	0	0	0	113.4	C865 L866 V872 T873	C865-S869 PolarHBondContact O-N 3.22Å; C865-S869 PolarHBondContact O-OG 3.05Å; L866-S869 WeakPolarHBondContact CA-OG 3.5Å; L866-S869 PolarHBondContact O-N 3.23Å; L866-S869 PolarHBondContact O-OG 2.87Å; S869-V872 PolarHBondContact O-N 3.19Å; S869-T873 PolarHBondContact O-N 3.36Å; S869-T873 VanDerWaalsContact O-N 3.13Å; S869-T873 PolarHBondContact O-OG1 3.34Å
870	A	94.3	Very high	91.5	Very high	15 Å²	15	24.2 Å²	24.2	12%	0.124	13%	0.126	C	C	.	.	H	α-helix	trans	-67.5	-36.5	174.9	0	0	0	0	0	112	F720 T794 L866 I868 T873 S874	F720-A870 HydrophobicContact CB-CB 3.9Å; F720-A870 HydrophobicContact CD2-CB 4.15Å; F720-A870 HydrophobicContact CG-CB 4.22Å; T794-A870 HydrophobicContact CG2-CB 4.03Å; T794-A870 WeakPolarHBondContact CG2-O 3.34Å; L866-A870 WeakPolarHBondContact O-CB 3.24Å; L866-A870 PolarHBondContact O-N 2.84Å; I868-A870 PolarHBondContact O-N 2.89Å; A870-T873 PolarHBondContact O-OG1 2.93Å; A870-T873 VanDerWaalsContact O-OG1 3.06Å; A870-S874 VanDerWaalsContact O-CB 3.26Å; A870-S874 WeakPolarHBondContact O-CB 3.5Å; A870-S874 PolarHBondContact O-N 2.92Å; A870-S874 PolarHBondContact O-OG 3.21Å
871	S	96.5	Very high	92.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.1	-45.2	175.2	-65.2	0	0	0	0	111.4	T792 T794 E867 I868 T873 S874 F875	T792-S871 VanDerWaalsContact CB-OG 3.31Å; T792-S871 WeakPolarHBondContact CB-OG 3.24Å; T792-S871 WeakPolarHBondContact CG2-OG 3.45Å; T792-S871 PolarHBondContact OG1-OG 3.44Å; T794-S871 PolarHBondContact OG1-OG 2.83Å; T794-S871 VanDerWaalsContact OG1-OG 3.09Å; E867-S871 WeakPolarHBondContact O-CB 3.49Å; E867-S871 PolarHBondContact O-N 3.19Å; E867-S871 PolarHBondContact O-OG 3.23Å; I868-S871 PolarHBondContact O-N 3.28Å; I868-S871 VanDerWaalsContact O-N 3.14Å; S871-T873 PolarHBondContact O-N 3.02Å; S871-S874 WeakPolarHBondContact CA-OG 3.5Å; S871-S874 PolarHBondContact O-N 3.01Å; S871-S874 PolarHBondContact O-OG 3.48Å; S871-F875 VanDerWaalsContact O-CD2 3.25Å; S871-F875 WeakPolarHBondContact O-CD2 2.91Å; S871-F875 PolarHBondContact O-N 3.32Å
872	V	96.4	Very high	93.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-56.8	-52.3	178.5	170.7	0	0	0	0	111.2	Y746 I749 M750 L755 Y853 I868 S869 S874 F875 G876	Y746-V872 HydrophobicContact CD1-CG1 3.53Å; Y746-V872 HydrophobicContact CE1-CG1 4.27Å; Y746-V872 HydrophobicContact CG-CG1 3.7Å; I749-V872 HydrophobicContact CG2-CB 4.43Å; I749-V872 HydrophobicContact CG2-CG1 4.37Å; I749-V872 HydrophobicContact CG2-CG2 4.31Å; M750-V872 HydrophobicContact CG-CG2 3.43Å; M750-V872 VanDerWaalsContact CG-CG2 3.43Å; M750-V872 HydrophobicContact SD-CG2 4.23Å; L755-V872 HydrophobicContact CD1-CG2 3.61Å; Y853-V872 HydrophobicContact CD2-CB 4.28Å; Y853-V872 HydrophobicContact CD2-CG1 4.01Å; Y853-V872 HydrophobicContact CE2-CB 4.43Å; Y853-V872 HydrophobicContact CE2-CG1 4.3Å; I868-V872 HydrophobicContact CG2-CG2 4.34Å; I868-V872 WeakPolarHBondContact O-CG2 3.08Å; I868-V872 PolarHBondContact O-N 2.97Å; S869-V872 PolarHBondContact O-N 3.19Å; V872-S874 VanDerWaalsContact C-N 3.3Å; V872-S874 PolarHBondContact O-N 3.45Å; V872-F875 PolarHBondContact O-N 2.85Å; V872-G876 PolarHBondContact O-N 2.75Å
873	T	94.6	Very high	93.8	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.006	11%	0.114	C	C	.	.	H	α-helix	trans	-63.3	-38.2	178.6	53.6	0	0	0	0	111.5	F720 V721 Y853 S869 A870 S871 G876 R877	F720-T873 HydrophobicContact CE2-CG2 3.97Å; V721-T873 PolarHBondContact O-OG1 3.47Å; V721-T873 VanDerWaalsContact O-OG1 3.05Å; Y853-T873 HydrophobicContact CE2-CG2 4.14Å; Y853-T873 VanDerWaalsContact OH-CG2 3.29Å; Y853-T873 WeakPolarHBondContact OH-CG2 3.4Å; S869-T873 PolarHBondContact O-N 3.36Å; S869-T873 VanDerWaalsContact O-N 3.13Å; S869-T873 PolarHBondContact O-OG1 3.34Å; A870-T873 PolarHBondContact O-OG1 2.93Å; A870-T873 VanDerWaalsContact O-OG1 3.06Å; S871-T873 PolarHBondContact O-N 3.02Å; T873-G876 PolarHBondContact O-N 2.98Å; T873-R877 WeakPolarHBondContact O-CG 3.48Å; T873-R877 PolarHBondContact O-N 3.38Å; T873-R877 PolarHBondContact OG1-NH1 2.91Å
874	S	95.1	Very high	94.1	Very high	6 Å²	6	25.9 Å²	25.9	4%	0.042	13%	0.127	C	C	.	.	H	α-helix	trans	-64.1	-40.1	177.8	77.3	0	0	0	0	114.1	P793 A870 S871 V872 R877 L878	P793-S874 WeakPolarHBondContact CD-OG 3.41Å; A870-S874 VanDerWaalsContact O-CB 3.26Å; A870-S874 WeakPolarHBondContact O-CB 3.5Å; A870-S874 PolarHBondContact O-N 2.92Å; A870-S874 PolarHBondContact O-OG 3.21Å; S871-S874 WeakPolarHBondContact CA-OG 3.5Å; S871-S874 PolarHBondContact O-N 3.01Å; S871-S874 PolarHBondContact O-OG 3.48Å; V872-S874 VanDerWaalsContact C-N 3.3Å; V872-S874 PolarHBondContact O-N 3.45Å; S874-R877 PolarHBondContact O-N 2.82Å; S874-L878 PolarHBondContact O-N 3.3Å; S874-L878 VanDerWaalsContact O-N 3.16Å
875	F	95.9	Very high	94.4	Very high	22 Å²	22	30.5 Å²	30.5	10%	0.096	15%	0.15	C	C	.	.	H	α-helix	trans	-63.8	-44.8	171.6	-80.2	-63.1	0	0	0	110.5	I749 H753 L755 T792 P793 S871 V872 R877 L878 M879	I749-F875 HydrophobicContact CD1-CB 4.03Å; I749-F875 HydrophobicContact CG1-CB 4.35Å; I749-F875 HydrophobicContact CG2-CB 3.72Å; I749-F875 HydrophobicContact CG2-CD2 3.9Å; I749-F875 HydrophobicContact CG2-CG 4.13Å; H753-F875 HydrophobicContact CB-CE2 4.19Å; H753-F875 HydrophobicContact CB-CZ 4.48Å; H753-F875 AromaticContact CE1-CE1 3.75Å; H753-F875 AromaticContact CG-CE2 3.92Å; H753-F875 AromaticContact CG-CZ 3.89Å; H753-F875 AromaticContact ND1-CZ 3.81Å; H753-F875 AromaticContact NE2-CD1 3.85Å; H753-F875 AromaticContact NE2-CE1 3.87Å; L755-F875 HydrophobicContact CD1-CD2 4.37Å; L755-F875 HydrophobicContact CD1-CE2 4.46Å; T792-F875 HydrophobicContact CG2-CE2 3.86Å; T792-F875 HydrophobicContact CG2-CZ 4.29Å; P793-F875 HydrophobicContact CG-CD1 3.99Å; P793-F875 HydrophobicContact CG-CE1 3.99Å; P793-F875 HydrophobicContact CG-CG 4.4Å; P793-F875 HydrophobicContact CG-CZ 4.41Å; S871-F875 VanDerWaalsContact O-CD2 3.25Å; S871-F875 WeakPolarHBondContact O-CD2 2.91Å; S871-F875 PolarHBondContact O-N 3.32Å; V872-F875 PolarHBondContact O-N 2.85Å; F875-R877 VanDerWaalsContact C-N 3.29Å; F875-R877 PolarHBondContact O-N 2.97Å; F875-L878 WeakPolarHBondContact O-CB 3.41Å; F875-L878 PolarHBondContact O-N 2.63Å; F875-L878 VanDerWaalsContact O-N 3.13Å; F875-M879 WeakPolarHBondContact O-CB 3.36Å; F875-M879 WeakPolarHBondContact O-CG 3.32Å; F875-M879 PolarHBondContact O-N 3.29Å
876	G	94.1	Very high	94.6	Very high	4 Å²	4	32.8 Å²	32.8	4%	0.041	16%	0.16	C	C	.	.	H	α-helix	trans	-55.8	-42.5	176.4	0	0	0	0	0	112.9	V872 T873 M879 I880	V872-G876 PolarHBondContact O-N 2.75Å; T873-G876 PolarHBondContact O-N 2.98Å; G876-M879 PolarHBondContact O-N 2.9Å; G876-I880 WeakPolarHBondContact O-CG1 3.42Å; G876-I880 PolarHBondContact O-N 3.35Å; G876-I880 VanDerWaalsContact O-N 3.11Å
877	R	93.2	Very high	94.9	Very high	46 Å²	46	30.6 Å²	30.6	17%	0.174	15%	0.149	C	C	.	.	H	α-helix	trans	-60.4	-49	174.9	-63.9	-168.5	-74.9	-86.5	0.1	112.3	V721 G722 T724 T873 S874 F875 M879 I880 E881	V721-R877 PolarHBondContact O-NH1 2.95Å; G722-R877 PolarHBondContact O-NH1 3.41Å; T724-R877 WeakPolarHBondContact OG1-CB 3.36Å; T724-R877 WeakPolarHBondContact OG1-CD 2.74Å; T724-R877 WeakPolarHBondContact OG1-CG 3.49Å; T873-R877 WeakPolarHBondContact O-CG 3.48Å; T873-R877 PolarHBondContact O-N 3.38Å; T873-R877 PolarHBondContact OG1-NH1 2.91Å; S874-R877 PolarHBondContact O-N 2.82Å; F875-R877 VanDerWaalsContact C-N 3.29Å; F875-R877 PolarHBondContact O-N 2.97Å; R877-M879 VanDerWaalsContact C-N 3.29Å; R877-M879 PolarHBondContact O-N 3.45Å; R877-I880 PolarHBondContact O-N 3.07Å; R877-E881 PolarHBondContact O-N 3.07Å
878	L	93.5	Very high	95.1	Very high	70 Å²	70	29.5 Å²	29.5	37%	0.366	14%	0.144	S	C	.	.	H	α-helix	trans	-60.2	-41.7	178.9	-179.8	66.8	0	0	0	111.2	S874 F875 E881 Q882	S874-L878 PolarHBondContact O-N 3.3Å; S874-L878 VanDerWaalsContact O-N 3.16Å; F875-L878 WeakPolarHBondContact O-CB 3.41Å; F875-L878 PolarHBondContact O-N 2.63Å; F875-L878 VanDerWaalsContact O-N 3.13Å; L878-E881 PolarHBondContact O-N 3.49Å; L878-Q882 HydrophobicContact CD1-CG 4.44Å; L878-Q882 HydrophobicContact CG-CG 4.38Å; L878-Q882 WeakPolarHBondContact O-CB 3.38Å; L878-Q882 VanDerWaalsContact O-CG 3.32Å; L878-Q882 WeakPolarHBondContact O-CG 3.39Å; L878-Q882 PolarHBondContact O-N 3.08Å
879	M	94.6	Very high	95.1	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.025	18%	0.177	C	C	.	.	H	α-helix	trans	-65.7	-41.4	-178.5	-70.2	166.8	56.1	0	0	112.5	F742 L745 I749 F875 G876 R877 E881 Q882 T883 F938 I942	F742-M879 HydrophobicContact CD1-CE 3.69Å; F742-M879 HydrophobicContact CD2-CE 4.41Å; F742-M879 HydrophobicContact CE1-CE 3.26Å; F742-M879 HydrophobicContact CE2-CB 4.09Å; F742-M879 HydrophobicContact CE2-CE 4.07Å; F742-M879 HydrophobicContact CG-CE 4.26Å; F742-M879 HydrophobicContact CZ-CB 3.84Å; F742-M879 HydrophobicContact CZ-CE 3.49Å; F742-M879 VanDerWaalsContact CZ-CE 3.49Å; L745-M879 HydrophobicContact CD1-CE 3.38Å; L745-M879 HydrophobicContact CD1-SD 4.11Å; I749-M879 HydrophobicContact CD1-SD 3.72Å; I749-M879 HydrophobicContact CG1-CE 4.38Å; I749-M879 HydrophobicContact CG1-SD 3.68Å; F875-M879 WeakPolarHBondContact O-CB 3.36Å; F875-M879 WeakPolarHBondContact O-CG 3.32Å; F875-M879 PolarHBondContact O-N 3.29Å; G876-M879 PolarHBondContact O-N 2.9Å; R877-M879 VanDerWaalsContact C-N 3.29Å; R877-M879 PolarHBondContact O-N 3.45Å; M879-E881 VanDerWaalsContact C-N 3.33Å; M879-E881 PolarHBondContact O-N 3.16Å; M879-Q882 PolarHBondContact O-N 2.77Å; M879-T883 WeakPolarHBondContact O-CB 3.39Å; M879-T883 PolarHBondContact O-N 2.84Å; M879-T883 PolarHBondContact O-OG1 3.46Å; M879-T883 VanDerWaalsContact O-OG1 3.07Å; M879-F938 HydrophobicContact CB-CE1 3.96Å; M879-F938 HydrophobicContact CB-CZ 4.24Å; M879-F938 HydrophobicContact CG-CD1 4.12Å; M879-F938 HydrophobicContact CG-CE1 3.73Å; M879-F938 HydrophobicContact CG-CZ 4.48Å; M879-I942 HydrophobicContact CE-CB 4.48Å; M879-I942 HydrophobicContact CE-CD1 4.03Å; M879-I942 HydrophobicContact CE-CG1 4.44Å; M879-I942 HydrophobicContact CE-CG2 3.3Å; M879-I942 HydrophobicContact SD-CD1 4.06Å
880	I	93.2	Very high	95.2	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-62.9	-40.9	175	-68.9	-69.3	0	0	0	111.3	L726 F742 G876 R877 K884 T908 V911	L726-I880 HydrophobicContact CD1-CG2 3.73Å; L726-I880 HydrophobicContact CD2-CG2 4.11Å; L726-I880 HydrophobicContact CG-CG2 3.73Å; F742-I880 HydrophobicContact CD2-CD1 4.21Å; F742-I880 HydrophobicContact CE2-CD1 4.03Å; G876-I880 WeakPolarHBondContact O-CG1 3.42Å; G876-I880 PolarHBondContact O-N 3.35Å; G876-I880 VanDerWaalsContact O-N 3.11Å; R877-I880 PolarHBondContact O-N 3.07Å; I880-K884 PolarHBondContact O-N 3.35Å; I880-K884 VanDerWaalsContact O-N 3.1Å; I880-T908 WeakPolarHBondContact CG1-O 3.37Å; I880-V911 HydrophobicContact CD1-CG1 3.97Å; I880-V911 HydrophobicContact CG2-CG1 4.19Å
881	E	93.4	Very high	95.3	Very high	103 Å²	103	41.1 Å²	41.1	48%	0.481	19%	0.192	S	C	.	.	H	α-helix	trans	-65.3	-43.6	175	-71.5	-175.3	177.3	0	0	112	R877 L878 M879 K884 L885	R877-E881 PolarHBondContact O-N 3.07Å; L878-E881 PolarHBondContact O-N 3.49Å; M879-E881 VanDerWaalsContact C-N 3.33Å; M879-E881 PolarHBondContact O-N 3.16Å; E881-K884 PolarHBondContact O-N 2.68Å; E881-L885 WeakPolarHBondContact O-CG 3.02Å; E881-L885 PolarHBondContact O-N 3.05Å
882	Q	94.2	Very high	95.3	Very high	67 Å²	67	42.1 Å²	42.1	31%	0.313	20%	0.198	S	C	.	.	H	α-helix	trans	-60.8	-50.3	175.5	-76	174.5	-38.8	0	0	111.2	L878 M879 K884 L885 H886 F938	L878-Q882 HydrophobicContact CD1-CG 4.44Å; L878-Q882 HydrophobicContact CG-CG 4.38Å; L878-Q882 WeakPolarHBondContact O-CB 3.38Å; L878-Q882 VanDerWaalsContact O-CG 3.32Å; L878-Q882 WeakPolarHBondContact O-CG 3.39Å; L878-Q882 PolarHBondContact O-N 3.08Å; M879-Q882 PolarHBondContact O-N 2.77Å; Q882-K884 VanDerWaalsContact C-N 3.27Å; Q882-K884 PolarHBondContact O-N 3.06Å; Q882-L885 PolarHBondContact O-N 2.8Å; Q882-H886 PolarHBondContact O-CD2 3.04Å; Q882-H886 PolarHBondContact O-N 3.43Å; Q882-F938 HydrophobicContact CB-CE1 4.19Å; Q882-F938 HydrophobicContact CB-CZ 4.11Å
883	T	95.9	Very high	95.3	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-53.2	-46.6	176.7	-66.9	0	0	0	0	110.9	F742 M879 L885 H886 V887 V911 I934 L944	F742-T883 WeakPolarHBondContact CZ-OG1 3.21Å; M879-T883 WeakPolarHBondContact O-CB 3.39Å; M879-T883 PolarHBondContact O-N 2.84Å; M879-T883 PolarHBondContact O-OG1 3.46Å; M879-T883 VanDerWaalsContact O-OG1 3.07Å; T883-L885 PolarHBondContact O-N 2.77Å; T883-H886 PolarHBondContact O-N 3.37Å; T883-V887 HydrophobicContact CG2-CG2 4.34Å; T883-V887 WeakPolarHBondContact O-CG2 3.22Å; T883-V887 PolarHBondContact O-N 2.68Å; T883-V911 HydrophobicContact CG2-CB 4.47Å; T883-V911 HydrophobicContact CG2-CG1 4.13Å; T883-V911 HydrophobicContact CG2-CG2 3.59Å; T883-I934 HydrophobicContact CG2-CD1 4.47Å; T883-I934 HydrophobicContact CG2-CG2 4.38Å; T883-L944 HydrophobicContact CG2-CD2 3.57Å
884	K	95.7	Very high	95.3	Very high	67 Å²	67	51.5 Å²	51.5	29%	0.291	26%	0.26	S	S	.	.	H	α-helix	trans	-56.3	-50.8	175.3	166.6	175.9	176.3	-167.2	0	112.2	L726 I880 E881 Q882 H886 V887 E888 V903	L726-K884 HydrophobicContact CD1-CB 4.44Å; L726-K884 HydrophobicContact CD1-CD 4.16Å; I880-K884 PolarHBondContact O-N 3.35Å; I880-K884 VanDerWaalsContact O-N 3.1Å; E881-K884 PolarHBondContact O-N 2.68Å; Q882-K884 VanDerWaalsContact C-N 3.27Å; Q882-K884 PolarHBondContact O-N 3.06Å; K884-H886 VanDerWaalsContact C-N 3.32Å; K884-H886 PolarHBondContact O-N 3.08Å; K884-V887 PolarHBondContact O-N 2.72Å; K884-E888 VanDerWaalsContact CE-OE2 3.24Å; K884-E888 WeakPolarHBondContact CE-OE2 3.23Å; K884-E888 HydrophobicContact CG-CG 4.45Å; K884-E888 WeakPolarHBondContact O-CB 3.26Å; K884-E888 WeakPolarHBondContact O-CG 3.16Å; K884-E888 PolarHBondContact O-N 2.9Å; K884-V903 HydrophobicContact CB-CB 4.18Å; K884-V903 HydrophobicContact CB-CG1 4.38Å; K884-V903 HydrophobicContact CB-CG2 4.1Å; K884-V903 HydrophobicContact CD-CB 4.34Å; K884-V903 HydrophobicContact CG-CB 3.92Å; K884-V903 HydrophobicContact CG-CG1 4.49Å; K884-V903 HydrophobicContact CG-CG2 4.13Å
885	L	96.1	Very high	95.3	Very high	111 Å²	111	55.3 Å²	55.3	58%	0.581	28%	0.28	S	S	*	.	H	α-helix	trans	-61	-41.6	-179.4	-68.7	172	0	0	0	111.8	E881 Q882 T883 K889	E881-L885 WeakPolarHBondContact O-CG 3.02Å; E881-L885 PolarHBondContact O-N 3.05Å; Q882-L885 PolarHBondContact O-N 2.8Å; T883-L885 PolarHBondContact O-N 2.77Å; L885-K889 WeakPolarHBondContact O-CB 3.41Å; L885-K889 PolarHBondContact O-N 3.26Å
886	H	96.3	Very high	95.2	Very high	49 Å²	49	57.7 Å²	57.7	23%	0.227	31%	0.311	C	S	.	.	H	α-helix	trans	-68.2	-42.6	179.1	-71.2	-74.5	0	0	0	112.2	Q882 T883 K884 K889 K890 I934 E937	Q882-H886 PolarHBondContact O-CD2 3.04Å; Q882-H886 PolarHBondContact O-N 3.43Å; T883-H886 PolarHBondContact O-N 3.37Å; K884-H886 VanDerWaalsContact C-N 3.32Å; K884-H886 PolarHBondContact O-N 3.08Å; H886-K889 PolarHBondContact O-N 3.37Å; H886-K890 WeakPolarHBondContact O-CB 3.1Å; H886-K890 PolarHBondContact O-N 2.75Å; H886-I934 HydrophobicContact CB-CD1 4.37Å; H886-I934 HydrophobicContact CB-CG1 4.09Å; H886-I934 HydrophobicContact CB-CG2 4.42Å; H886-E937 IonicContact CE1-OE1 2.69Å; H886-E937 IonicContact CE1-OE2 3.7Å
887	V	96.9	Very high	95.2	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-57.9	-55.5	173.9	172.2	0	0	0	0	110.4	L740 T883 K884 K889 K890 F891 A901 V903 C913 F915 I934	L740-V887 HydrophobicContact CD1-CG2 4.39Å; T883-V887 HydrophobicContact CG2-CG2 4.34Å; T883-V887 WeakPolarHBondContact O-CG2 3.22Å; T883-V887 PolarHBondContact O-N 2.68Å; K884-V887 PolarHBondContact O-N 2.72Å; V887-K889 VanDerWaalsContact C-N 3.27Å; V887-K889 PolarHBondContact O-N 2.93Å; V887-K890 PolarHBondContact O-N 3.44Å; V887-F891 PolarHBondContact O-N 3.24Å; V887-A901 HydrophobicContact CG1-CB 3.91Å; V887-V903 HydrophobicContact CB-CG2 3.95Å; V887-V903 HydrophobicContact CG1-CG2 3.96Å; V887-V903 HydrophobicContact CG2-CG2 4.33Å; V887-C913 HydrophobicContact CG1-CB 4.48Å; V887-F915 HydrophobicContact CG1-CE1 4.4Å; V887-I934 HydrophobicContact CB-CD1 4.38Å; V887-I934 HydrophobicContact CG2-CD1 3.31Å
888	E	97.2	Very high	95.1	Very high	52 Å²	52	64.4 Å²	64.4	24%	0.243	34%	0.339	C	S	.	.	H	α-helix	trans	-68.2	-26	-174.6	-65.3	-174.8	156.7	0	0	112.3	R729 K884 T892 V903	R729-E888 IonicContact NH2-OE1 3.95Å; K884-E888 VanDerWaalsContact CE-OE2 3.24Å; K884-E888 WeakPolarHBondContact CE-OE2 3.23Å; K884-E888 HydrophobicContact CG-CG 4.45Å; K884-E888 WeakPolarHBondContact O-CB 3.26Å; K884-E888 WeakPolarHBondContact O-CG 3.16Å; K884-E888 PolarHBondContact O-N 2.9Å; E888-T892 WeakPolarHBondContact O-CG2 3.29Å; E888-V903 HydrophobicContact CG-CG2 4.46Å; E888-V903 PolarHBondContact OE1-N 2.99Å; E888-V903 VanDerWaalsContact OE1-N 3.07Å
889	K	96.3	Very high	95.2	Very high	163 Å²	163	65 Å²	65	71%	0.709	34%	0.339	S	S	*	.	H	α-helix	trans	-81.2	-39.7	175.8	-177.2	-178.6	177.4	-174	0	112.9	L885 H886 V887 N895	L885-K889 WeakPolarHBondContact O-CB 3.41Å; L885-K889 PolarHBondContact O-N 3.26Å; H886-K889 PolarHBondContact O-N 3.37Å; V887-K889 VanDerWaalsContact C-N 3.27Å; V887-K889 PolarHBondContact O-N 2.93Å; K889-N895 PolarHBondContact O-ND2 3.19Å
890	K	95.4	Very high	95.3	Very high	95 Å²	95	69 Å²	69	41%	0.413	36%	0.361	S	S	.	.	H	α-helix	trans	-84.1	-44.9	-171.7	-177	64.4	175	-174.6	0	112.3	H886 V887 T892 N895 Y897	H886-K890 WeakPolarHBondContact O-CB 3.1Å; H886-K890 PolarHBondContact O-N 2.75Å; V887-K890 PolarHBondContact O-N 3.44Å; K890-T892 PolarHBondContact O-N 3.07Å; K890-T892 VanDerWaalsContact O-N 3.16Å; K890-N895 VanDerWaalsContact O-CB 3.32Å; K890-N895 WeakPolarHBondContact O-CB 3.44Å; K890-N895 PolarHBondContact O-ND2 3.2Å; K890-Y897 WeakPolarHBondContact O-CE2 3.22Å
891	F	96.9	Very high	95.5	Very high	2 Å²	2	69.1 Å²	69.1	1%	0.009	36%	0.362	C	S	.	.	S	Bend	trans	-92.1	76.5	-173.9	-67.2	-94.1	0	0	0	109.9	V887 Y897 A901 F915 L926 Q929 A930 I933	V887-F891 PolarHBondContact O-N 3.24Å; F891-Y897 HydrophobicContact CB-CD2 4.48Å; F891-Y897 AromaticContact CD1-CD1 3.83Å; F891-Y897 HydrophobicContact CD1-CD1 3.83Å; F891-Y897 HydrophobicContact CD1-CD2 4.39Å; F891-Y897 AromaticContact CD1-CE1 3.41Å; F891-Y897 HydrophobicContact CD1-CE1 3.41Å; F891-Y897 VanDerWaalsContact CD1-CE1 3.41Å; F891-Y897 HydrophobicContact CD1-CE2 4.01Å; F891-Y897 HydrophobicContact CD1-CG 4.3Å; F891-Y897 AromaticContact CD1-CZ 3.5Å; F891-Y897 VanDerWaalsContact CD1-CZ 3.5Å; F891-Y897 HydrophobicContact CE1-CD1 4.44Å; F891-Y897 AromaticContact CE1-CE1 3.62Å; F891-Y897 HydrophobicContact CE1-CE1 3.62Å; F891-Y897 HydrophobicContact CE1-CE2 4.5Å; F891-Y897 AromaticContact CE1-CZ 3.63Å; F891-Y897 WeakPolarHBondContact CE1-OH 3.24Å; F891-Y897 HydrophobicContact CG-CE1 4.49Å; F891-Y897 HydrophobicContact CG-CE2 4.42Å; F891-A901 HydrophobicContact CB-CB 3.5Å; F891-A901 WeakPolarHBondContact O-CB 3.26Å; F891-A901 PolarHBondContact O-N 2.69Å; F891-F915 HydrophobicContact CB-CD1 4.21Å; F891-F915 HydrophobicContact CB-CE1 4.12Å; F891-F915 HydrophobicContact CD1-CD1 4.11Å; F891-F915 AromaticContact CD1-CE1 3.74Å; F891-F915 HydrophobicContact CD1-CE1 3.74Å; F891-F915 HydrophobicContact CD2-CE1 4.09Å; F891-F915 HydrophobicContact CE1-CE1 4.16Å; F891-F915 HydrophobicContact CE2-CE1 4.5Å; F891-F915 HydrophobicContact CG-CD1 4.19Å; F891-F915 AromaticContact CG-CE1 3.71Å; F891-F915 HydrophobicContact CG-CE1 3.71Å; F891-L926 HydrophobicContact CD1-CD2 4.24Å; F891-L926 HydrophobicContact CE1-CD2 4.15Å; F891-Q929 HydrophobicContact CE1-CG 4.41Å; F891-Q929 HydrophobicContact CZ-CG 4.32Å; F891-A930 HydrophobicContact CD2-CB 4.48Å; F891-A930 HydrophobicContact CE1-CB 4.4Å; F891-A930 HydrophobicContact CE2-CB 3.56Å; F891-A930 VanDerWaalsContact CZ-CA 3.46Å; F891-A930 HydrophobicContact CZ-CB 3.52Å; F891-I933 HydrophobicContact CZ-CD1 4.39Å
892	T	96.7	Very high	95.7	Very high	21 Å²	21	65.9 Å²	65.9	13%	0.129	35%	0.349	C	S	.	.	S	Bend	trans	-130.4	159.6	-177.5	61.5	0	0	0	0	111.8	E888 K890 A894 N895 G896 Y897 D900	E888-T892 WeakPolarHBondContact O-CG2 3.29Å; K890-T892 PolarHBondContact O-N 3.07Å; K890-T892 VanDerWaalsContact O-N 3.16Å; T892-A894 PolarHBondContact O-N 2.98Å; T892-N895 PolarHBondContact O-N 3.1Å; T892-N895 PolarHBondContact OG1-N 3.27Å; T892-N895 PolarHBondContact OG1-ND2 2.91Å; T892-G896 PolarHBondContact O-N 3.21Å; T892-Y897 WeakPolarHBondContact O-CB 3.38Å; T892-Y897 PolarHBondContact O-N 3.41Å; T892-Y897 VanDerWaalsContact O-N 3.12Å; T892-D900 WeakPolarHBondContact CA-OD1 3.45Å; T892-D900 WeakPolarHBondContact CB-OD1 3.34Å
893	I	95.5	Very high	95.9	Very high	102 Å²	102	62.9 Å²	62.9	52%	0.523	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-57.6	-39.8	174.1	-61.3	172.1	0	0	0	110.4	N895 G896 Y897 D900	I893-N895 PolarHBondContact O-N 3.27Å; I893-G896 PolarHBondContact O-N 2.81Å; I893-Y897 WeakPolarHBondContact CA-O 3.26Å; I893-D900 PolarHBondContact N-OD1 3.32Å
894	A	94.3	Very high	95.9	Very high	95 Å²	95	63 Å²	63	79%	0.785	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-60.4	-29.6	177.2	0	0	0	0	0	113.2	T892 G896	T892-A894 PolarHBondContact O-N 2.98Å; A894-G896 VanDerWaalsContact C-N 3.35Å
895	N	94.9	Very high	95.9	Very high	87 Å²	87	59.9 Å²	59.9	47%	0.465	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-93.2	11.3	177.9	-66.4	-25.9	0	0	0	113.3	K889 K890 T892 I893 Y897	K889-N895 PolarHBondContact O-ND2 3.19Å; K890-N895 VanDerWaalsContact O-CB 3.32Å; K890-N895 WeakPolarHBondContact O-CB 3.44Å; K890-N895 PolarHBondContact O-ND2 3.2Å; T892-N895 PolarHBondContact O-N 3.1Å; T892-N895 PolarHBondContact OG1-N 3.27Å; T892-N895 PolarHBondContact OG1-ND2 2.91Å; I893-N895 PolarHBondContact O-N 3.27Å; N895-Y897 HydrophobicContact CB-CD2 4.16Å; N895-Y897 HydrophobicContact CB-CE2 4.33Å
896	G	94	Very high	95.7	Very high	72 Å²	72	54.6 Å²	54.6	74%	0.742	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.2	9.5	175.9	0	0	0	0	0	115.5	T892 I893 A894	T892-G896 PolarHBondContact O-N 3.21Å; I893-G896 PolarHBondContact O-N 2.81Å; A894-G896 VanDerWaalsContact C-N 3.35Å
897	Y	95	Very high	95.4	Very high	48 Å²	48	53.1 Å²	53.1	19%	0.188	29%	0.289	C	S	.	.			trans	-86.1	161.7	173.4	-65	-86.7	0	0	0	111.7	K890 F891 T892 I893 N895 H899 L926 Q929	K890-Y897 WeakPolarHBondContact O-CE2 3.22Å; F891-Y897 HydrophobicContact CB-CD2 4.48Å; F891-Y897 AromaticContact CD1-CD1 3.83Å; F891-Y897 HydrophobicContact CD1-CD1 3.83Å; F891-Y897 HydrophobicContact CD1-CD2 4.39Å; F891-Y897 AromaticContact CD1-CE1 3.41Å; F891-Y897 HydrophobicContact CD1-CE1 3.41Å; F891-Y897 VanDerWaalsContact CD1-CE1 3.41Å; F891-Y897 HydrophobicContact CD1-CE2 4.01Å; F891-Y897 HydrophobicContact CD1-CG 4.3Å; F891-Y897 AromaticContact CD1-CZ 3.5Å; F891-Y897 VanDerWaalsContact CD1-CZ 3.5Å; F891-Y897 HydrophobicContact CE1-CD1 4.44Å; F891-Y897 AromaticContact CE1-CE1 3.62Å; F891-Y897 HydrophobicContact CE1-CE1 3.62Å; F891-Y897 HydrophobicContact CE1-CE2 4.5Å; F891-Y897 AromaticContact CE1-CZ 3.63Å; F891-Y897 WeakPolarHBondContact CE1-OH 3.24Å; F891-Y897 HydrophobicContact CG-CE1 4.49Å; F891-Y897 HydrophobicContact CG-CE2 4.42Å; T892-Y897 WeakPolarHBondContact O-CB 3.38Å; T892-Y897 PolarHBondContact O-N 3.41Å; T892-Y897 VanDerWaalsContact O-N 3.12Å; I893-Y897 WeakPolarHBondContact CA-O 3.26Å; N895-Y897 HydrophobicContact CB-CD2 4.16Å; N895-Y897 HydrophobicContact CB-CE2 4.33Å; Y897-H899 VanDerWaalsContact C-N 3.3Å; Y897-H899 PolarHBondContact O-N 3.33Å; Y897-L926 HydrophobicContact CD1-CD2 3.82Å; Y897-L926 HydrophobicContact CE1-CD2 3.71Å; Y897-Q929 PolarHBondContact OH-OE1 3.49Å; Y897-Q929 VanDerWaalsContact OH-OE1 3.11Å
898	K	91.9	Very high	94.8	Very high	142 Å²	142	54 Å²	54	62%	0.617	29%	0.294	S	S	*	.	S	Bend	trans	-69.6	-27.3	-178.4	-65.6	179.8	-177.3	174.6	0	113.3	E922	K898-E922 IonicContact NZ-OE1 3.15Å; K898-E922 PolarHBondContact NZ-OE1 2.93Å
899	H	95.4	Very high	94.4	Very high	82 Å²	82	54.2 Å²	54.2	38%	0.38	30%	0.297	S	S	.	.	S	Bend	trans	-147.3	163.7	-174.4	-54.7	-75.7	0	0	0	110.3	Y897 F915 G916	Y897-H899 VanDerWaalsContact C-N 3.3Å; Y897-H899 PolarHBondContact O-N 3.33Å; H899-F915 WeakPolarHBondContact CB-O 3.4Å; H899-G916 PolarHBondContact CD2-O 3.16Å; H899-G916 PolarHBondContact NE2-O 2.78Å
900	D	96.8	Very high	94.3	Very high	90 Å²	90	47 Å²	47	48%	0.481	27%	0.267	S	S	.	.			trans	-83	121.3	168.4	-60.9	-32.1	0	0	0	110	T892 I893	T892-D900 WeakPolarHBondContact CA-OD1 3.45Å; T892-D900 WeakPolarHBondContact CB-OD1 3.34Å; I893-D900 PolarHBondContact N-OD1 3.32Å
901	A	97.3	Very high	94.3	Very high	4 Å²	4	42.6 Å²	42.6	3%	0.033	25%	0.248	C	C	.	.			trans	-71.8	146.9	177.5	0	0	0	0	0	111	V887 F891 K914 F915	V887-A901 HydrophobicContact CG1-CB 3.91Å; F891-A901 HydrophobicContact CB-CB 3.5Å; F891-A901 WeakPolarHBondContact O-CB 3.26Å; F891-A901 PolarHBondContact O-N 2.69Å; A901-K914 CarbonylContact C-O 3.44Å; A901-K914 VanDerWaalsContact CA-O 3.28Å; A901-K914 WeakPolarHBondContact CA-O 3.28Å; A901-F915 HydrophobicContact CB-CD1 3.68Å; A901-F915 HydrophobicContact CB-CE1 4.08Å
902	V	97.5	Very high	94.3	Very high	34 Å²	34	42.5 Å²	42.5	21%	0.206	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	128	-179.4	176.1	0	0	0	0	109.3	R729 I904 K914	R729-V902 VanDerWaalsContact NH2-CG1 3.35Å; V902-I904 HydrophobicContact CG1-CG2 4Å; V902-I904 PolarHBondContact O-N 3.45Å; V902-K914 HydrophobicContact CB-CB 4.5Å; V902-K914 PolarHBondContact N-O 2.98Å; V902-K914 PolarHBondContact O-N 2.87Å
903	V	97.2	Very high	94.4	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.03	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	110.1	168.1	179.1	0	0	0	0	108.2	L726 K884 V887 E888 Y905 V911 M912	L726-V903 HydrophobicContact CD1-CG1 4.22Å; K884-V903 HydrophobicContact CB-CB 4.18Å; K884-V903 HydrophobicContact CB-CG1 4.38Å; K884-V903 HydrophobicContact CB-CG2 4.1Å; K884-V903 HydrophobicContact CD-CB 4.34Å; K884-V903 HydrophobicContact CG-CB 3.92Å; K884-V903 HydrophobicContact CG-CG1 4.49Å; K884-V903 HydrophobicContact CG-CG2 4.13Å; V887-V903 HydrophobicContact CB-CG2 3.95Å; V887-V903 HydrophobicContact CG1-CG2 3.96Å; V887-V903 HydrophobicContact CG2-CG2 4.33Å; E888-V903 HydrophobicContact CG-CG2 4.46Å; E888-V903 PolarHBondContact OE1-N 2.99Å; E888-V903 VanDerWaalsContact OE1-N 3.07Å; V903-Y905 VanDerWaalsContact CG1-O 3.29Å; V903-Y905 WeakPolarHBondContact CG1-O 3.21Å; V903-V911 HydrophobicContact CG1-CB 4.07Å; V903-V911 HydrophobicContact CG1-CG1 4.4Å; V903-M912 WeakPolarHBondContact CA-O 3.44Å
904	I	96.6	Very high	94.5	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-23.2	-174.6	60.9	164.3	0	0	0	112.3	P728 R729 Y733 I737 V902 M912 K914 Y953 L955	P728-I904 WeakPolarHBondContact CA-O 3.34Å; R729-I904 HydrophobicContact CB-CB 4.24Å; R729-I904 PolarHBondContact N-O 3.02Å; Y733-I904 HydrophobicContact CD1-CD1 4.33Å; Y733-I904 HydrophobicContact CD2-CD1 3.96Å; Y733-I904 HydrophobicContact CE1-CD1 4.06Å; Y733-I904 HydrophobicContact CE1-CG2 4.05Å; Y733-I904 HydrophobicContact CE2-CD1 3.67Å; Y733-I904 HydrophobicContact CG-CD1 4.28Å; I737-I904 HydrophobicContact CD1-CD1 3.87Å; I737-I904 HydrophobicContact CG1-CD1 4.03Å; I737-I904 HydrophobicContact CG2-CD1 3.86Å; I737-I904 HydrophobicContact CG2-CG1 4.33Å; V902-I904 HydrophobicContact CG1-CG2 4Å; V902-I904 PolarHBondContact O-N 3.45Å; I904-M912 HydrophobicContact CG1-CB 4.1Å; I904-M912 WeakPolarHBondContact CG1-O 3.47Å; I904-M912 PolarHBondContact N-O 3.01Å; I904-K914 HydrophobicContact CG2-CB 3.86Å; I904-Y953 HydrophobicContact CD1-CD1 3.95Å; I904-Y953 HydrophobicContact CD1-CE1 3.96Å; I904-L955 HydrophobicContact CB-CD2 4.47Å; I904-L955 HydrophobicContact CD1-CD2 4.14Å; I904-L955 HydrophobicContact CG1-CD2 4.33Å
905	Y	95.9	Very high	94.7	Very high	1 Å²	1	35 Å²	35	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	159.1	179.3	-178	-126.6	0	0	0	110.3	V725 P728 V903 D907 M912 L955 K959 Y961	V725-Y905 HydrophobicContact CG1-CE2 3.46Å; V725-Y905 VanDerWaalsContact CG1-CE2 3.46Å; V725-Y905 WeakPolarHBondContact CG1-OH 3.5Å; P728-Y905 HydrophobicContact CB-CD2 3.69Å; P728-Y905 HydrophobicContact CB-CE2 4.3Å; P728-Y905 HydrophobicContact CB-CG 4.36Å; P728-Y905 HydrophobicContact CG-CD2 4.44Å; V903-Y905 VanDerWaalsContact CG1-O 3.29Å; V903-Y905 WeakPolarHBondContact CG1-O 3.21Å; Y905-D907 HydrophobicContact CE1-CB 3.76Å; Y905-D907 WeakPolarHBondContact OH-CB 3.08Å; Y905-D907 PolarHBondContact OH-OD2 2.87Å; Y905-M912 HydrophobicContact CD1-CE 4.15Å; Y905-M912 HydrophobicContact CD1-CG 4.38Å; Y905-M912 HydrophobicContact CD1-SD 3.46Å; Y905-M912 WeakPolarHBondContact CD1-SD 3.49Å; Y905-M912 HydrophobicContact CE1-CE 4.39Å; Y905-M912 HydrophobicContact CE1-SD 4.2Å; Y905-M912 HydrophobicContact CG-SD 4.2Å; Y905-M912 PolarHBondContact O-N 3.49Å; Y905-L955 HydrophobicContact CD1-CD1 4.14Å; Y905-L955 HydrophobicContact CD2-CD1 4.48Å; Y905-L955 HydrophobicContact CG-CD1 4.04Å; Y905-L955 HydrophobicContact CG-CD2 4.39Å; Y905-K959 PolarHBondContact OH-N 3.23Å; Y905-Y961 HydrophobicContact CE1-CD1 4.16Å; Y905-Y961 HydrophobicContact CE1-CE1 4.06Å
906	G	92.5	Very high	94.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	136.3	170.5	0	0	0	0	0	110.5	V725 L726 S910	V725-G906 CarbonylContact C-O 3.57Å; V725-G906 WeakPolarHBondContact CA-O 3.5Å; V725-G906 WeakPolarHBondContact CG1-O 3.32Å; L726-G906 PolarHBondContact N-O 3.33Å; G906-S910 CarbonylContact C-O 3.58Å; G906-S910 WeakPolarHBondContact CA-O 3.45Å
907	D	88.8	Confident	94.8	Very high	19 Å²	19	28.5 Å²	28.5	10%	0.102	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	106.9	-172.1	-165.6	-7.5	0	0	0	110.1	Y905 D909 S910 K959	Y905-D907 HydrophobicContact CE1-CB 3.76Å; Y905-D907 WeakPolarHBondContact OH-CB 3.08Å; Y905-D907 PolarHBondContact OH-OD2 2.87Å; D907-D909 VanDerWaalsContact C-N 3.26Å; D907-D909 PolarHBondContact O-N 2.59Å; D907-S910 PolarHBondContact N-O 2.8Å; D907-S910 PolarHBondContact O-N 2.91Å; D907-S910 PolarHBondContact O-OG 2.7Å; D907-K959 WeakPolarHBondContact OD1-CE 3.38Å; D907-K959 WeakPolarHBondContact OD2-CG 2.85Å
908	T	84.9	Confident	94.7	Very high	17 Å²	17	30.9 Å²	30.9	10%	0.104	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	-74.5	174.3	-50.5	0	0	0	0	114.6	A723 T724 I880	A723-T908 HydrophobicContact CB-CG2 3.84Å; T724-T908 PolarHBondContact O-N 3.5Å; I880-T908 WeakPolarHBondContact CG1-O 3.37Å
909	D	89.6	Confident	94.9	Very high	57 Å²	57	26.8 Å²	26.8	31%	0.305	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-10.8	-177.7	49.3	3.5	0	0	0	114	D741 F742 L745 D907	D741-D909 WeakPolarHBondContact OD1-CB 3.41Å; F742-D909 HydrophobicContact CB-CB 4.27Å; F742-D909 VanDerWaalsContact CD2-O 3.27Å; F742-D909 WeakPolarHBondContact CD2-O 3.24Å; F742-D909 PolarHBondContact N-O 2.81Å; L745-D909 HydrophobicContact CB-CB 4.01Å; L745-D909 HydrophobicContact CD2-CB 3.79Å; L745-D909 HydrophobicContact CG-CB 4.49Å; D907-D909 VanDerWaalsContact C-N 3.26Å; D907-D909 PolarHBondContact O-N 2.59Å
910	S	93.7	Very high	95	Very high	12 Å²	12	23.8 Å²	23.8	8%	0.084	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	150.2	-176.7	60.1	0	0	0	0	113.5	L740 G906 D907 M912	L740-S910 CarbonylContact O-C 3.59Å; L740-S910 VanDerWaalsContact O-CA 3.24Å; L740-S910 WeakPolarHBondContact O-CA 3.32Å; G906-S910 CarbonylContact C-O 3.58Å; G906-S910 WeakPolarHBondContact CA-O 3.45Å; D907-S910 PolarHBondContact N-O 2.8Å; D907-S910 PolarHBondContact O-N 2.91Å; D907-S910 PolarHBondContact O-OG 2.7Å; S910-M912 WeakPolarHBondContact OG-CE 3.35Å
911	V	95.6	Very high	95.1	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.012	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.7	170.2	-64.1	0	0	0	0	110.8	T739 L740 I880 T883 V903	T739-V911 WeakPolarHBondContact CA-O 3.44Å; L740-V911 HydrophobicContact CB-CG2 3.85Å; L740-V911 HydrophobicContact CD1-CG2 4.26Å; L740-V911 HydrophobicContact CG-CG2 4.26Å; L740-V911 PolarHBondContact N-O 2.93Å; L740-V911 PolarHBondContact O-N 2.96Å; I880-V911 HydrophobicContact CD1-CG1 3.97Å; I880-V911 HydrophobicContact CG2-CG1 4.19Å; T883-V911 HydrophobicContact CG2-CB 4.47Å; T883-V911 HydrophobicContact CG2-CG1 4.13Å; T883-V911 HydrophobicContact CG2-CG2 3.59Å; V903-V911 HydrophobicContact CG1-CB 4.07Å; V903-V911 HydrophobicContact CG1-CG1 4.4Å
912	M	97.2	Very high	95	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	112	-179.2	-65.6	76.2	-173.5	0	0	109.2	I737 A738 T739 V903 I904 Y905 S910	I737-M912 HydrophobicContact CG2-CB 3.84Å; A738-M912 CarbonylContact O-C 3.51Å; A738-M912 WeakPolarHBondContact O-CA 3.29Å; T739-M912 HydrophobicContact CG2-CE 3.94Å; T739-M912 HydrophobicContact CG2-CG 4.48Å; V903-M912 WeakPolarHBondContact CA-O 3.44Å; I904-M912 HydrophobicContact CG1-CB 4.1Å; I904-M912 WeakPolarHBondContact CG1-O 3.47Å; I904-M912 PolarHBondContact N-O 3.01Å; Y905-M912 HydrophobicContact CD1-CE 4.15Å; Y905-M912 HydrophobicContact CD1-CG 4.38Å; Y905-M912 HydrophobicContact CD1-SD 3.46Å; Y905-M912 WeakPolarHBondContact CD1-SD 3.49Å; Y905-M912 HydrophobicContact CE1-CE 4.39Å; Y905-M912 HydrophobicContact CE1-SD 4.2Å; Y905-M912 HydrophobicContact CG-SD 4.2Å; Y905-M912 PolarHBondContact O-N 3.49Å; S910-M912 WeakPolarHBondContact OG-CE 3.35Å
913	C	97.9	Very high	95	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.3	-170.1	-60.6	0	0	0	0	110.8	A738 V887 F915	A738-C913 PolarHBondContact N-O 3.26Å; A738-C913 PolarHBondContact O-N 2.85Å; V887-C913 HydrophobicContact CG1-CB 4.48Å; C913-F915 HydrophobicContact CB-CD2 4.37Å; C913-F915 HydrophobicContact CB-CE2 3.89Å; C913-F915 HydrophobicContact CB-CZ 4.01Å
914	K	97.8	Very high	95.1	Very high	52 Å²	52	24.3 Å²	24.3	23%	0.226	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	104.1	166.2	-176.8	-173.5	-179.4	176.8	0	108.5	Y733 E735 I737 A901 V902 I904	Y733-K914 HydrophobicContact CD1-CD 4.33Å; Y733-K914 HydrophobicContact CE1-CD 4.23Å; E735-K914 VanDerWaalsContact CD-NZ 3.34Å; E735-K914 WeakPolarHBondContact OE1-CE 3.48Å; E735-K914 IonicContact OE1-NZ 3.55Å; E735-K914 PolarHBondContact OE1-NZ 3.2Å; E735-K914 WeakPolarHBondContact OE2-CE 3.25Å; E735-K914 IonicContact OE2-NZ 2.81Å; E735-K914 PolarHBondContact OE2-NZ 2.97Å; E735-K914 VanDerWaalsContact OE2-NZ 3.15Å; I737-K914 HydrophobicContact CD1-CB 3.8Å; I737-K914 HydrophobicContact CD1-CG 3.96Å; A901-K914 CarbonylContact C-O 3.44Å; A901-K914 VanDerWaalsContact CA-O 3.28Å; A901-K914 WeakPolarHBondContact CA-O 3.28Å; V902-K914 HydrophobicContact CB-CB 4.5Å; V902-K914 PolarHBondContact N-O 2.98Å; V902-K914 PolarHBondContact O-N 2.87Å; I904-K914 HydrophobicContact CG2-CB 3.86Å
915	F	97.9	Very high	95.1	Very high	8 Å²	8	29.7 Å²	29.7	4%	0.035	17%	0.169	C	C	.	.			trans	-84.6	-7.5	174.5	-69	-70	0	0	0	114	A738 V887 F891 H899 A901 C913 V917 L926 A930	A738-F915 HydrophobicContact CB-CD2 4.01Å; A738-F915 HydrophobicContact CB-CE2 3.7Å; V887-F915 HydrophobicContact CG1-CE1 4.4Å; F891-F915 HydrophobicContact CB-CD1 4.21Å; F891-F915 HydrophobicContact CB-CE1 4.12Å; F891-F915 HydrophobicContact CD1-CD1 4.11Å; F891-F915 AromaticContact CD1-CE1 3.74Å; F891-F915 HydrophobicContact CD1-CE1 3.74Å; F891-F915 HydrophobicContact CD2-CE1 4.09Å; F891-F915 HydrophobicContact CE1-CE1 4.16Å; F891-F915 HydrophobicContact CE2-CE1 4.5Å; F891-F915 HydrophobicContact CG-CD1 4.19Å; F891-F915 AromaticContact CG-CE1 3.71Å; F891-F915 HydrophobicContact CG-CE1 3.71Å; H899-F915 WeakPolarHBondContact CB-O 3.4Å; A901-F915 HydrophobicContact CB-CD1 3.68Å; A901-F915 HydrophobicContact CB-CE1 4.08Å; C913-F915 HydrophobicContact CB-CD2 4.37Å; C913-F915 HydrophobicContact CB-CE2 3.89Å; C913-F915 HydrophobicContact CB-CZ 4.01Å; F915-V917 VanDerWaalsContact C-N 3.27Å; F915-V917 HydrophobicContact CB-CG2 4.43Å; F915-V917 PolarHBondContact O-N 3.22Å; F915-L926 HydrophobicContact CB-CD1 3.66Å; F915-L926 HydrophobicContact CD1-CB 4.07Å; F915-L926 HydrophobicContact CD1-CD1 4.22Å; F915-L926 HydrophobicContact CD2-CB 3.79Å; F915-L926 HydrophobicContact CD2-CD1 4.47Å; F915-L926 HydrophobicContact CE1-CB 4.21Å; F915-L926 HydrophobicContact CE2-CB 3.91Å; F915-L926 HydrophobicContact CG-CB 3.88Å; F915-L926 HydrophobicContact CG-CD1 3.9Å; F915-L926 HydrophobicContact CZ-CB 4.13Å; F915-A930 HydrophobicContact CE1-CB 4.4Å; F915-A930 HydrophobicContact CZ-CB 3.82Å
916	G	95.4	Very high	95.2	Very high	16 Å²	16	31 Å²	31	17%	0.165	18%	0.176	C	C	.	.			trans	79.1	-1.4	178.7	0	0	0	0	0	115.7	H899	H899-G916 PolarHBondContact CD2-O 3.16Å; H899-G916 PolarHBondContact NE2-O 2.78Å
917	V	95.9	Very high	95.4	Very high	7 Å²	7	31 Å²	31	4%	0.042	18%	0.176	C	C	.	.			trans	-73.6	157.4	174.6	-61.6	0	0	0	0	111.6	P736 F915 E922 A923 L926	P736-V917 WeakPolarHBondContact CD-O 3.34Å; F915-V917 VanDerWaalsContact C-N 3.27Å; F915-V917 HydrophobicContact CB-CG2 4.43Å; F915-V917 PolarHBondContact O-N 3.22Å; V917-E922 HydrophobicContact CB-CB 3.94Å; V917-E922 HydrophobicContact CG1-CB 4.16Å; V917-E922 HydrophobicContact CG2-CB 3.92Å; V917-A923 HydrophobicContact CG2-CB 3.75Å; V917-L926 HydrophobicContact CG1-CD1 3.65Å; V917-L926 HydrophobicContact CG2-CD1 4.46Å
918	S	94	Very high	95.8	Very high	98 Å²	98	35.3 Å²	35.3	69%	0.685	19%	0.191	S	C	*	.	S	Bend	trans	-96.4	-17.8	-175	55.9	0	0	0	0	114.6
919	T	95.9	Very high	96.4	Very high	56 Å²	56	37.9 Å²	37.9	34%	0.344	20%	0.202	S	C	.	.	S	Bend	trans	-110.1	145.4	-176.5	71.4	0	0	0	0	112.5	T921 E922 A923	T919-T921 VanDerWaalsContact C-N 3.28Å; T919-T921 PolarHBondContact O-N 3.02Å; T919-E922 PolarHBondContact O-N 3.2Å; T919-E922 WeakPolarHBondContact OG1-CB 3.07Å; T919-E922 VanDerWaalsContact OG1-CG 3.24Å; T919-E922 WeakPolarHBondContact OG1-CG 3.21Å; T919-E922 PolarHBondContact OG1-N 3.2Å; T919-E922 PolarHBondContact OG1-OE2 2.93Å; T919-A923 PolarHBondContact O-N 3.37Å
920	V	97	Very high	96.8	Very high	18 Å²	18	35.1 Å²	35.1	11%	0.109	19%	0.187	C	C	.	.	H	α-helix	trans	-60.4	-41.3	176.9	175	0	0	0	0	110.5	P736 E922 A923 M924 V949 C951 F966 P969	P736-V920 HydrophobicContact CB-CG2 4.46Å; P736-V920 HydrophobicContact CG-CG2 4.28Å; V920-E922 PolarHBondContact O-N 3.42Å; V920-A923 PolarHBondContact O-N 3.22Å; V920-M924 HydrophobicContact CG1-CE 3.69Å; V920-M924 HydrophobicContact CG1-CG 4.19Å; V920-M924 HydrophobicContact CG1-SD 4.1Å; V920-M924 VanDerWaalsContact O-CG 3.29Å; V920-M924 WeakPolarHBondContact O-CG 3.25Å; V920-M924 PolarHBondContact O-N 3.07Å; V920-V949 HydrophobicContact CG1-CB 4.18Å; V920-V949 HydrophobicContact CG1-CG1 4.05Å; V920-V949 HydrophobicContact CG2-CG1 4.44Å; V920-C951 HydrophobicContact CG2-CB 3.89Å; V920-F966 HydrophobicContact CG1-CB 4Å; V920-F966 HydrophobicContact CG1-CD1 4.11Å; V920-F966 HydrophobicContact CG1-CG 4.07Å; V920-F966 HydrophobicContact CG2-CD1 4.42Å; V920-F966 HydrophobicContact CG2-CE1 4.35Å; V920-F966 HydrophobicContact CG2-CZ 4.4Å; V920-P969 HydrophobicContact CG1-CB 4.46Å
921	T	97.5	Very high	96.9	Very high	84 Å²	84	34.8 Å²	34.8	52%	0.515	19%	0.185	S	C	.	.	H	α-helix	trans	-57.3	-48.8	178.4	-49.2	0	0	0	0	112.8	T919 A923 M924 E925 P969	T919-T921 VanDerWaalsContact C-N 3.28Å; T919-T921 PolarHBondContact O-N 3.02Å; T921-A923 VanDerWaalsContact C-N 3.33Å; T921-A923 PolarHBondContact O-N 3.48Å; T921-M924 PolarHBondContact O-N 2.95Å; T921-E925 PolarHBondContact O-N 3.15Å; T921-E925 VanDerWaalsContact O-N 3.08Å; T921-P969 VanDerWaalsContact OG1-CB 3.29Å; T921-P969 WeakPolarHBondContact OG1-CB 3.42Å
922	E	96.9	Very high	97	Very high	60 Å²	60	41.3 Å²	41.3	28%	0.28	22%	0.216	S	C	.	.	H	α-helix	trans	-64.5	-38.8	178.1	-73.7	173	101.9	0	0	111.5	K898 V917 T919 V920 E925 L926	K898-E922 IonicContact NZ-OE1 3.15Å; K898-E922 PolarHBondContact NZ-OE1 2.93Å; V917-E922 HydrophobicContact CB-CB 3.94Å; V917-E922 HydrophobicContact CG1-CB 4.16Å; V917-E922 HydrophobicContact CG2-CB 3.92Å; T919-E922 PolarHBondContact O-N 3.2Å; T919-E922 WeakPolarHBondContact OG1-CB 3.07Å; T919-E922 VanDerWaalsContact OG1-CG 3.24Å; T919-E922 WeakPolarHBondContact OG1-CG 3.21Å; T919-E922 PolarHBondContact OG1-N 3.2Å; T919-E922 PolarHBondContact OG1-OE2 2.93Å; V920-E922 PolarHBondContact O-N 3.42Å; E922-E925 PolarHBondContact O-N 2.62Å; E922-L926 WeakPolarHBondContact O-CG 3.38Å; E922-L926 PolarHBondContact O-N 2.78Å
923	A	97.5	Very high	96.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-67	-37.9	178.1	0	0	0	0	0	112.2	P736 V917 T919 V920 T921 G927 V949	P736-A923 HydrophobicContact CB-CB 3.69Å; V917-A923 HydrophobicContact CG2-CB 3.75Å; T919-A923 PolarHBondContact O-N 3.37Å; V920-A923 PolarHBondContact O-N 3.22Å; T921-A923 VanDerWaalsContact C-N 3.33Å; T921-A923 PolarHBondContact O-N 3.48Å; A923-G927 PolarHBondContact O-N 3Å; A923-V949 HydrophobicContact CB-CG1 4.43Å; A923-V949 HydrophobicContact CB-CG2 4.18Å
924	M	97.9	Very high	96.8	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-63.2	-42.5	174	-71.8	-174.3	165.2	0	0	111.5	V920 T921 G927 R928 F946 V949 F966 T967 P969	V920-M924 HydrophobicContact CG1-CE 3.69Å; V920-M924 HydrophobicContact CG1-CG 4.19Å; V920-M924 HydrophobicContact CG1-SD 4.1Å; V920-M924 VanDerWaalsContact O-CG 3.29Å; V920-M924 WeakPolarHBondContact O-CG 3.25Å; V920-M924 PolarHBondContact O-N 3.07Å; T921-M924 PolarHBondContact O-N 2.95Å; M924-G927 PolarHBondContact O-N 3.22Å; M924-R928 WeakPolarHBondContact O-CG 3.22Å; M924-R928 PolarHBondContact O-N 3.38Å; M924-F946 HydrophobicContact CB-CE1 4.36Å; M924-F946 HydrophobicContact CB-CZ 4.04Å; M924-F946 HydrophobicContact CE-CZ 4.41Å; M924-F946 HydrophobicContact CG-CE1 4.18Å; M924-F946 HydrophobicContact CG-CE2 4.39Å; M924-F946 HydrophobicContact CG-CZ 3.63Å; M924-V949 HydrophobicContact CE-CB 4.33Å; M924-V949 HydrophobicContact CE-CG2 4.36Å; M924-V949 HydrophobicContact CG-CB 4.44Å; M924-V949 HydrophobicContact CG-CG2 3.58Å; M924-F966 HydrophobicContact CE-CB 3.68Å; M924-F966 WeakPolarHBondContact CE-O 3.26Å; M924-T967 VanDerWaalsContact CE-C 3.48Å; M924-T967 WeakPolarHBondContact CE-O 3.29Å; M924-P969 HydrophobicContact SD-CB 4.09Å
925	E	97.4	Very high	96.7	Very high	114 Å²	114	42.3 Å²	42.3	53%	0.533	23%	0.225	S	C	.	.	H	α-helix	trans	-66.4	-46.5	179.9	-169.8	57	-157.8	0	0	112.2	T921 E922 G927 R928 Q929	T921-E925 PolarHBondContact O-N 3.15Å; T921-E925 VanDerWaalsContact O-N 3.08Å; E922-E925 PolarHBondContact O-N 2.62Å; E925-G927 VanDerWaalsContact C-N 3.27Å; E925-G927 PolarHBondContact O-N 3.45Å; E925-R928 PolarHBondContact O-N 3.31Å; E925-R928 IonicContact OE2-NH1 3.61Å; E925-R928 PolarHBondContact OE2-NH1 3.41Å; E925-R928 VanDerWaalsContact OE2-NH1 3.13Å; E925-Q929 WeakPolarHBondContact O-CB 3.5Å; E925-Q929 PolarHBondContact O-N 3.06Å
926	L	97.7	Very high	96.6	Very high	28 Å²	28	49.5 Å²	49.5	15%	0.147	26%	0.258	C	S	.	.	H	α-helix	trans	-62.9	-35.4	173.4	-68.6	174.7	0	0	0	112	F891 Y897 F915 V917 E922 Q929 A930	F891-L926 HydrophobicContact CD1-CD2 4.24Å; F891-L926 HydrophobicContact CE1-CD2 4.15Å; Y897-L926 HydrophobicContact CD1-CD2 3.82Å; Y897-L926 HydrophobicContact CE1-CD2 3.71Å; F915-L926 HydrophobicContact CB-CD1 3.66Å; F915-L926 HydrophobicContact CD1-CB 4.07Å; F915-L926 HydrophobicContact CD1-CD1 4.22Å; F915-L926 HydrophobicContact CD2-CB 3.79Å; F915-L926 HydrophobicContact CD2-CD1 4.47Å; F915-L926 HydrophobicContact CE1-CB 4.21Å; F915-L926 HydrophobicContact CE2-CB 3.91Å; F915-L926 HydrophobicContact CG-CB 3.88Å; F915-L926 HydrophobicContact CG-CD1 3.9Å; F915-L926 HydrophobicContact CZ-CB 4.13Å; V917-L926 HydrophobicContact CG1-CD1 3.65Å; V917-L926 HydrophobicContact CG2-CD1 4.46Å; E922-L926 WeakPolarHBondContact O-CG 3.38Å; E922-L926 PolarHBondContact O-N 2.78Å; L926-Q929 PolarHBondContact O-N 3.35Å; L926-A930 VanDerWaalsContact O-CB 3.26Å; L926-A930 WeakPolarHBondContact O-CB 3.24Å; L926-A930 PolarHBondContact O-N 3.47Å
927	G	97.3	Very high	96.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.9	-47.1	174.5	0	0	0	0	0	112.6	L740 A923 M924 E925 A930 A931	L740-G927 VanDerWaalsContact CD2-O 3.23Å; L740-G927 WeakPolarHBondContact CD2-O 3.47Å; A923-G927 PolarHBondContact O-N 3Å; M924-G927 PolarHBondContact O-N 3.22Å; E925-G927 VanDerWaalsContact C-N 3.27Å; E925-G927 PolarHBondContact O-N 3.45Å; G927-A930 PolarHBondContact O-N 2.87Å; G927-A931 WeakPolarHBondContact O-CB 3.3Å; G927-A931 PolarHBondContact O-N 3.37Å
928	R	97.6	Very high	96.5	Very high	111 Å²	111	54.6 Å²	54.6	42%	0.419	28%	0.277	S	S	.	.	H	α-helix	trans	-62.2	-45.9	175.1	-69.5	-179.7	-160	105.1	7.6	111.6	M924 E925 A930 A931 E932 F946	M924-R928 WeakPolarHBondContact O-CG 3.22Å; M924-R928 PolarHBondContact O-N 3.38Å; E925-R928 PolarHBondContact O-N 3.31Å; E925-R928 IonicContact OE2-NH1 3.61Å; E925-R928 PolarHBondContact OE2-NH1 3.41Å; E925-R928 VanDerWaalsContact OE2-NH1 3.13Å; R928-A930 VanDerWaalsContact C-N 3.32Å; R928-A930 PolarHBondContact O-N 2.97Å; R928-A931 PolarHBondContact O-N 3.26Å; R928-E932 PolarHBondContact O-N 3.41Å; R928-F946 HydrophobicContact CG-CB 3.88Å; R928-F946 HydrophobicContact CG-CD1 3.92Å; R928-F946 HydrophobicContact CG-CG 3.95Å
929	Q	97.2	Very high	96.5	Very high	70 Å²	70	52.9 Å²	52.9	33%	0.327	26%	0.264	S	S	.	.	H	α-helix	trans	-60.1	-42.8	177.3	-172.5	-179.1	43.9	0	0	111.6	F891 Y897 E925 L926 E932 I933	F891-Q929 HydrophobicContact CE1-CG 4.41Å; F891-Q929 HydrophobicContact CZ-CG 4.32Å; Y897-Q929 PolarHBondContact OH-OE1 3.49Å; Y897-Q929 VanDerWaalsContact OH-OE1 3.11Å; E925-Q929 WeakPolarHBondContact O-CB 3.5Å; E925-Q929 PolarHBondContact O-N 3.06Å; L926-Q929 PolarHBondContact O-N 3.35Å; Q929-E932 PolarHBondContact O-N 3.08Å; Q929-I933 HydrophobicContact CG-CD1 3.71Å; Q929-I933 HydrophobicContact CG-CG1 4.44Å; Q929-I933 WeakPolarHBondContact O-CB 3.37Å; Q929-I933 VanDerWaalsContact O-CG1 3.29Å; Q929-I933 WeakPolarHBondContact O-CG1 3.27Å; Q929-I933 PolarHBondContact O-N 3.48Å
930	A	97.2	Very high	96.4	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.8	-44.6	177.2	0	0	0	0	0	111.9	L740 F891 F915 L926 G927 R928 E932 I934	L740-A930 HydrophobicContact CD1-CB 3.81Å; F891-A930 HydrophobicContact CD2-CB 4.48Å; F891-A930 HydrophobicContact CE1-CB 4.4Å; F891-A930 HydrophobicContact CE2-CB 3.56Å; F891-A930 VanDerWaalsContact CZ-CA 3.46Å; F891-A930 HydrophobicContact CZ-CB 3.52Å; F915-A930 HydrophobicContact CE1-CB 4.4Å; F915-A930 HydrophobicContact CZ-CB 3.82Å; L926-A930 VanDerWaalsContact O-CB 3.26Å; L926-A930 WeakPolarHBondContact O-CB 3.24Å; L926-A930 PolarHBondContact O-N 3.47Å; G927-A930 PolarHBondContact O-N 2.87Å; R928-A930 VanDerWaalsContact C-N 3.32Å; R928-A930 PolarHBondContact O-N 2.97Å; A930-E932 VanDerWaalsContact C-N 3.34Å; A930-E932 PolarHBondContact O-N 3.38Å; A930-I934 HydrophobicContact CB-CD1 4.27Å; A930-I934 VanDerWaalsContact O-CB 3.23Å; A930-I934 WeakPolarHBondContact O-CB 3.44Å; A930-I934 WeakPolarHBondContact O-CD1 3.29Å; A930-I934 WeakPolarHBondContact O-CG1 3.42Å; A930-I934 PolarHBondContact O-N 3.45Å
931	A	96.9	Very high	96.3	Very high	5 Å²	5	61.5 Å²	61.5	4%	0.041	30%	0.301	C	S	.	.	H	α-helix	trans	-58.8	-44.7	176.7	0	0	0	0	0	111.8	L740 G927 R928 S935 L944 F946	L740-A931 HydrophobicContact CD2-CB 4.36Å; G927-A931 WeakPolarHBondContact O-CB 3.3Å; G927-A931 PolarHBondContact O-N 3.37Å; R928-A931 PolarHBondContact O-N 3.26Å; A931-S935 VanDerWaalsContact O-CB 3.25Å; A931-S935 WeakPolarHBondContact O-CB 3.44Å; A931-S935 PolarHBondContact O-N 3.12Å; A931-S935 VanDerWaalsContact O-N 3.08Å; A931-S935 PolarHBondContact O-OG 3.26Å; A931-L944 HydrophobicContact CB-CB 4.21Å; A931-F946 HydrophobicContact CB-CB 4.43Å
932	E	96.7	Very high	96.3	Very high	139 Å²	139	57.7 Å²	57.7	65%	0.65	28%	0.278	S	S	*	.	H	α-helix	trans	-63.9	-55.6	178.6	-175	173.5	-156.7	0	0	111.9	R928 Q929 A930 I934 S935	R928-E932 PolarHBondContact O-N 3.41Å; Q929-E932 PolarHBondContact O-N 3.08Å; A930-E932 VanDerWaalsContact C-N 3.34Å; A930-E932 PolarHBondContact O-N 3.38Å; E932-I934 PolarHBondContact O-N 2.91Å; E932-S935 PolarHBondContact O-N 3.39Å
933	I	95.4	Very high	96.2	Very high	46 Å²	46	61.5 Å²	61.5	24%	0.236	29%	0.29	C	S	.	.	H	α-helix	trans	-60.2	-45.1	-177.2	-67.3	171.2	0	0	0	111.3	F891 Q929 S935 E936	F891-I933 HydrophobicContact CZ-CD1 4.39Å; Q929-I933 HydrophobicContact CG-CD1 3.71Å; Q929-I933 HydrophobicContact CG-CG1 4.44Å; Q929-I933 WeakPolarHBondContact O-CB 3.37Å; Q929-I933 VanDerWaalsContact O-CG1 3.29Å; Q929-I933 WeakPolarHBondContact O-CG1 3.27Å; Q929-I933 PolarHBondContact O-N 3.48Å; I933-S935 VanDerWaalsContact C-N 3.33Å; I933-E936 PolarHBondContact O-N 2.89Å
934	I	95.8	Very high	96.1	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-74.8	-28.6	-174.6	-61.7	169.5	0	0	0	110.9	T883 H886 V887 A930 E932 E936 E937 F938 L944	T883-I934 HydrophobicContact CG2-CD1 4.47Å; T883-I934 HydrophobicContact CG2-CG2 4.38Å; H886-I934 HydrophobicContact CB-CD1 4.37Å; H886-I934 HydrophobicContact CB-CG1 4.09Å; H886-I934 HydrophobicContact CB-CG2 4.42Å; V887-I934 HydrophobicContact CB-CD1 4.38Å; V887-I934 HydrophobicContact CG2-CD1 3.31Å; A930-I934 HydrophobicContact CB-CD1 4.27Å; A930-I934 VanDerWaalsContact O-CB 3.23Å; A930-I934 WeakPolarHBondContact O-CB 3.44Å; A930-I934 WeakPolarHBondContact O-CD1 3.29Å; A930-I934 WeakPolarHBondContact O-CG1 3.42Å; A930-I934 PolarHBondContact O-N 3.45Å; E932-I934 PolarHBondContact O-N 2.91Å; I934-E936 PolarHBondContact O-N 3.02Å; I934-E937 WeakPolarHBondContact O-CB 3.01Å; I934-E937 PolarHBondContact O-N 2.88Å; I934-E937 VanDerWaalsContact O-N 3.12Å; I934-F938 HydrophobicContact CG2-CD2 4.45Å; I934-F938 HydrophobicContact CG2-CE2 3.74Å; I934-F938 WeakPolarHBondContact O-CD2 3.28Å; I934-L944 HydrophobicContact CG2-CD1 3.92Å
935	S	96.3	Very high	96	Very high	25 Å²	25	65.6 Å²	65.6	18%	0.175	31%	0.309	C	S	.	.	H	α-helix	trans	-60	-27.7	174.6	-67.3	0	0	0	0	112.9	A931 E932 I933 E937 F938 L944	A931-S935 VanDerWaalsContact O-CB 3.25Å; A931-S935 WeakPolarHBondContact O-CB 3.44Å; A931-S935 PolarHBondContact O-N 3.12Å; A931-S935 VanDerWaalsContact O-N 3.08Å; A931-S935 PolarHBondContact O-OG 3.26Å; E932-S935 PolarHBondContact O-N 3.39Å; I933-S935 VanDerWaalsContact C-N 3.33Å; S935-E937 VanDerWaalsContact C-N 3.26Å; S935-E937 PolarHBondContact O-N 3.46Å; S935-F938 PolarHBondContact O-N 3.09Å; S935-L944 PolarHBondContact OG-N 3.1Å; S935-L944 PolarHBondContact OG-O 3.41Å
936	E	95.1	Very high	95.9	Very high	159 Å²	159	62 Å²	62	74%	0.743	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-21.1	178.2	-60.7	-175	155.9	0	0	113.4	I933 I934 F938	I933-E936 PolarHBondContact O-N 2.89Å; I934-E936 PolarHBondContact O-N 3.02Å; E936-F938 VanDerWaalsContact C-N 3.28Å; E936-F938 PolarHBondContact O-N 2.92Å
937	E	93.2	Very high	95.7	Very high	116 Å²	116	63.1 Å²	63.1	54%	0.542	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-13.5	178.6	-60.6	-72.9	170.2	0	0	112.5	H886 I934 S935	H886-E937 IonicContact CE1-OE1 2.69Å; H886-E937 IonicContact CE1-OE2 3.7Å; I934-E937 WeakPolarHBondContact O-CB 3.01Å; I934-E937 PolarHBondContact O-N 2.88Å; I934-E937 VanDerWaalsContact O-N 3.12Å; S935-E937 VanDerWaalsContact C-N 3.26Å; S935-E937 PolarHBondContact O-N 3.46Å
938	F	95.3	Very high	95.7	Very high	15 Å²	15	64 Å²	64	7%	0.066	30%	0.3	C	S	.	.	S	Bend	trans	-107.8	147	-176.8	-62.6	-66.2	0	0	0	112.6	F742 M879 Q882 I934 S935 E936 K940 I942 L944	F742-F938 AromaticContact CE1-CD2 3.97Å; F742-F938 HydrophobicContact CE1-CD2 3.97Å; F742-F938 AromaticContact CE1-CE2 3.83Å; F742-F938 HydrophobicContact CE1-CE2 3.83Å; F742-F938 HydrophobicContact CE1-CZ 4.33Å; F742-F938 HydrophobicContact CZ-CD2 4.3Å; F742-F938 AromaticContact CZ-CE2 3.7Å; F742-F938 HydrophobicContact CZ-CE2 3.7Å; F742-F938 AromaticContact CZ-CZ 3.86Å; F742-F938 HydrophobicContact CZ-CZ 3.86Å; M879-F938 HydrophobicContact CB-CE1 3.96Å; M879-F938 HydrophobicContact CB-CZ 4.24Å; M879-F938 HydrophobicContact CG-CD1 4.12Å; M879-F938 HydrophobicContact CG-CE1 3.73Å; M879-F938 HydrophobicContact CG-CZ 4.48Å; Q882-F938 HydrophobicContact CB-CE1 4.19Å; Q882-F938 HydrophobicContact CB-CZ 4.11Å; I934-F938 HydrophobicContact CG2-CD2 4.45Å; I934-F938 HydrophobicContact CG2-CE2 3.74Å; I934-F938 WeakPolarHBondContact O-CD2 3.28Å; S935-F938 PolarHBondContact O-N 3.09Å; E936-F938 VanDerWaalsContact C-N 3.28Å; E936-F938 PolarHBondContact O-N 2.92Å; F938-K940 PolarHBondContact O-N 3.2Å; F938-I942 HydrophobicContact CB-CB 4.01Å; F938-I942 HydrophobicContact CB-CG2 3.66Å; F938-I942 HydrophobicContact CD2-CG2 4.4Å; F938-I942 HydrophobicContact CG-CG2 4.01Å; F938-L944 HydrophobicContact CD2-CD1 3.89Å; F938-L944 HydrophobicContact CE2-CD1 3.59Å
939	P	94.5	Very high	95.7	Very high	61 Å²	61	58.8 Å²	58.8	40%	0.396	28%	0.28	S	S	.	.			trans	-67.2	133.2	176.4	26.5	-32.3	0	0	0	111.3	A752 I942	A752-P939 HydrophobicContact CB-CB 4.33Å; A752-P939 HydrophobicContact CB-CG 4.13Å; P939-I942 HydrophobicContact CG-CD1 4.14Å; P939-I942 VanDerWaalsContact O-CB 3.24Å; P939-I942 WeakPolarHBondContact O-CB 3.47Å; P939-I942 WeakPolarHBondContact O-CG1 3.42Å; P939-I942 PolarHBondContact O-N 2.99Å; P939-I942 VanDerWaalsContact O-N 3.09Å
940	K	94.4	Very high	95.7	Very high	193 Å²	193	55.4 Å²	55.4	84%	0.839	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	142.4	175.5	-64.3	-178.5	-179	177.9	0	110.7	F938	F938-K940 PolarHBondContact O-N 3.2Å
941	P	94.8	Very high	95.7	Very high	62 Å²	62	56.1 Å²	56.1	40%	0.403	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	cis	-93.3	14.9	8.4	37.9	-36.3	0	0	0	114.6	M751 R943	M751-P941 HydrophobicContact CB-CG 4.18Å; M751-P941 HydrophobicContact CE-CG 3.56Å; M751-P941 HydrophobicContact SD-CG 4.38Å; P941-R943 PolarHBondContact O-N 3.44Å
942	I	96.1	Very high	95.7	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.026	27%	0.267	C	S	.	.			trans	-60.3	129.8	177	-61.6	171.3	0	0	0	109	F742 I749 A752 M879 F938 P939	F742-I942 HydrophobicContact CD1-CG2 3.84Å; F742-I942 HydrophobicContact CE1-CG2 3.67Å; I749-I942 HydrophobicContact CG1-CD1 4.21Å; A752-I942 HydrophobicContact CB-CD1 3.75Å; A752-I942 HydrophobicContact CB-CG1 3.95Å; M879-I942 HydrophobicContact CE-CB 4.48Å; M879-I942 HydrophobicContact CE-CD1 4.03Å; M879-I942 HydrophobicContact CE-CG1 4.44Å; M879-I942 HydrophobicContact CE-CG2 3.3Å; M879-I942 HydrophobicContact SD-CD1 4.06Å; F938-I942 HydrophobicContact CB-CB 4.01Å; F938-I942 HydrophobicContact CB-CG2 3.66Å; F938-I942 HydrophobicContact CD2-CG2 4.4Å; F938-I942 HydrophobicContact CG-CG2 4.01Å; P939-I942 HydrophobicContact CG-CD1 4.14Å; P939-I942 VanDerWaalsContact O-CB 3.24Å; P939-I942 WeakPolarHBondContact O-CB 3.47Å; P939-I942 WeakPolarHBondContact O-CG1 3.42Å; P939-I942 PolarHBondContact O-N 2.99Å; P939-I942 VanDerWaalsContact O-N 3.09Å
943	R	94.9	Very high	95.7	Very high	139 Å²	139	49.2 Å²	49.2	53%	0.525	24%	0.236	S	C	.	.			trans	-151.8	148.8	175.5	66.8	-177	-169.7	177.2	2.9	110.5	A743 P941 E945	A743-R943 HydrophobicContact CB-CG 3.89Å; A743-R943 PolarHBondContact N-O 3.38Å; A743-R943 VanDerWaalsContact N-O 3.1Å; P941-R943 PolarHBondContact O-N 3.44Å; R943-E945 IonicContact CZ-OE1 3.81Å; R943-E945 IonicContact NE-OE1 2.77Å; R943-E945 PolarHBondContact NE-OE1 3.44Å; R943-E945 IonicContact NH2-OE1 2.77Å; R943-E945 PolarHBondContact NH2-OE1 3.36Å
944	L	95.8	Very high	95.7	Very high	8 Å²	8	47 Å²	47	4%	0.042	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	147	164.8	-77.2	88	0	0	0	109.6	L740 D741 F742 T883 A931 I934 S935 F938	L740-L944 HydrophobicContact CB-CD2 3.82Å; L740-L944 HydrophobicContact CD1-CD2 4.2Å; D741-L944 CarbonylContact O-C 3.58Å; D741-L944 WeakPolarHBondContact O-CA 3.28Å; F742-L944 HydrophobicContact CD1-CD1 3.82Å; F742-L944 HydrophobicContact CD1-CG 4Å; F742-L944 HydrophobicContact CE1-CD1 3.19Å; F742-L944 HydrophobicContact CE1-CG 3.83Å; F742-L944 HydrophobicContact CE2-CD1 4.33Å; F742-L944 HydrophobicContact CE2-CG 4.46Å; F742-L944 HydrophobicContact CG-CG 4.4Å; F742-L944 HydrophobicContact CZ-CD1 3.5Å; F742-L944 VanDerWaalsContact CZ-CD1 3.5Å; F742-L944 HydrophobicContact CZ-CG 4.06Å; T883-L944 HydrophobicContact CG2-CD2 3.57Å; A931-L944 HydrophobicContact CB-CB 4.21Å; I934-L944 HydrophobicContact CG2-CD1 3.92Å; S935-L944 PolarHBondContact OG-N 3.1Å; S935-L944 PolarHBondContact OG-O 3.41Å; F938-L944 HydrophobicContact CD2-CD1 3.89Å; F938-L944 HydrophobicContact CE2-CD1 3.59Å
945	E	95.3	Very high	95.7	Very high	80 Å²	80	47 Å²	47	37%	0.374	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	140.3	170.8	-67.3	-179.1	-174.1	0	0	108.8	L740 D741 A743 R943 E947	L740-E945 WeakPolarHBondContact CA-O 3.4Å; D741-E945 PolarHBondContact N-O 2.92Å; D741-E945 PolarHBondContact O-N 2.82Å; A743-E945 HydrophobicContact CB-CG 4.18Å; A743-E945 WeakPolarHBondContact CB-OE1 3.34Å; R943-E945 IonicContact CZ-OE1 3.81Å; R943-E945 IonicContact NE-OE1 2.77Å; R943-E945 PolarHBondContact NE-OE1 3.44Å; R943-E945 IonicContact NH2-OE1 2.77Å; R943-E945 PolarHBondContact NH2-OE1 3.36Å; E945-E947 PolarHBondContact O-N 2.89Å
946	F	96.7	Very high	95.5	Very high	37 Å²	37	46.2 Å²	46.2	16%	0.162	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	122.6	162.8	167.8	-97.5	0	0	0	107.8	A738 L740 M924 R928 A931 K948 V949	A738-F946 HydrophobicContact CB-CE2 4.4Å; L740-F946 HydrophobicContact CD2-CB 4.46Å; L740-F946 HydrophobicContact CD2-CD2 4.32Å; M924-F946 HydrophobicContact CB-CE1 4.36Å; M924-F946 HydrophobicContact CB-CZ 4.04Å; M924-F946 HydrophobicContact CE-CZ 4.41Å; M924-F946 HydrophobicContact CG-CE1 4.18Å; M924-F946 HydrophobicContact CG-CE2 4.39Å; M924-F946 HydrophobicContact CG-CZ 3.63Å; R928-F946 HydrophobicContact CG-CB 3.88Å; R928-F946 HydrophobicContact CG-CD1 3.92Å; R928-F946 HydrophobicContact CG-CG 3.95Å; A931-F946 HydrophobicContact CB-CB 4.43Å; F946-K948 WeakPolarHBondContact CE2-O 3.22Å; F946-V949 HydrophobicContact CE2-CG2 3.81Å; F946-V949 HydrophobicContact CZ-CG2 3.87Å
947	E	92.9	Very high	95.2	Very high	53 Å²	53	41.3 Å²	41.3	25%	0.248	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-54.6	-176.6	-168.1	-164.3	173.5	0	0	111.1	T739 D741 E945	T739-E947 PolarHBondContact O-N 2.96Å; D741-E947 HydrophobicContact CB-CB 4.45Å; E945-E947 PolarHBondContact O-N 2.89Å
948	K	96.5	Very high	95	Very high	19 Å²	19	39.8 Å²	39.8	8%	0.083	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	166.2	-166.4	60.8	-166.8	165.9	-136.8	0	113.1	T739 F946 Y950 Y965 F966	T739-K948 HydrophobicContact CG2-CG 4.44Å; T739-K948 PolarHBondContact N-O 2.98Å; F946-K948 WeakPolarHBondContact CE2-O 3.22Å; K948-Y950 HydrophobicContact CD-CE2 4.27Å; K948-Y950 WeakPolarHBondContact CE-OH 3.32Å; K948-Y965 HydrophobicContact CB-CE1 4.07Å; K948-Y965 HydrophobicContact CB-CE2 4.28Å; K948-Y965 HydrophobicContact CD-CD2 3.69Å; K948-Y965 HydrophobicContact CD-CE1 4.32Å; K948-Y965 HydrophobicContact CD-CE2 3.05Å; K948-Y965 HydrophobicContact CG-CE2 4.24Å; K948-F966 WeakPolarHBondContact CA-O 3.47Å
949	V	98.3	Very high	94.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	140.9	168.2	171	0	0	0	0	110.3	P736 I737 A738 V920 A923 M924 F946 F966	P736-V949 HydrophobicContact CB-CG1 3.69Å; I737-V949 CarbonylContact O-C 3.53Å; I737-V949 VanDerWaalsContact O-CA 3.29Å; I737-V949 WeakPolarHBondContact O-CA 3.39Å; A738-V949 HydrophobicContact CB-CG2 4.22Å; V920-V949 HydrophobicContact CG1-CB 4.18Å; V920-V949 HydrophobicContact CG1-CG1 4.05Å; V920-V949 HydrophobicContact CG2-CG1 4.44Å; A923-V949 HydrophobicContact CB-CG1 4.43Å; A923-V949 HydrophobicContact CB-CG2 4.18Å; M924-V949 HydrophobicContact CE-CB 4.33Å; M924-V949 HydrophobicContact CE-CG2 4.36Å; M924-V949 HydrophobicContact CG-CB 4.44Å; M924-V949 HydrophobicContact CG-CG2 3.58Å; F946-V949 HydrophobicContact CE2-CG2 3.81Å; F946-V949 HydrophobicContact CZ-CG2 3.87Å; V949-F966 HydrophobicContact CB-CB 4.42Å; V949-F966 PolarHBondContact N-O 3.31Å; V949-F966 PolarHBondContact O-N 3.12Å
950	Y	98.2	Very high	94.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	129.7	166.9	-66.9	-70.2	0	0	0	111.7	P736 I737 K948 Y953 Y961 L964 Y965 D976	P736-Y950 WeakPolarHBondContact CA-O 3.43Å; I737-Y950 PolarHBondContact N-O 2.98Å; I737-Y950 PolarHBondContact O-N 3.16Å; K948-Y950 HydrophobicContact CD-CE2 4.27Å; K948-Y950 WeakPolarHBondContact CE-OH 3.32Å; Y950-Y953 HydrophobicContact CD1-CD2 4.28Å; Y950-Y953 AromaticContact CD2-CD2 3.71Å; Y950-Y953 HydrophobicContact CD2-CD2 3.71Å; Y950-Y953 AromaticContact CD2-CE2 3.67Å; Y950-Y953 HydrophobicContact CD2-CE2 3.67Å; Y950-Y953 HydrophobicContact CE2-CD2 4.49Å; Y950-Y953 HydrophobicContact CE2-CE2 4.07Å; Y950-Y953 AromaticContact CG-CD2 3.57Å; Y950-Y953 HydrophobicContact CG-CD2 3.57Å; Y950-Y953 AromaticContact CG-CE2 3.99Å; Y950-Y953 HydrophobicContact CG-CE2 3.99Å; Y950-Y953 HydrophobicContact CG-CG 4.42Å; Y950-Y961 HydrophobicContact CE2-CE2 4.32Å; Y950-L964 VanDerWaalsContact CA-O 3.22Å; Y950-L964 WeakPolarHBondContact CA-O 3.46Å; Y950-Y965 AromaticContact CE1-CD2 3.92Å; Y950-Y965 HydrophobicContact CE1-CD2 3.92Å; Y950-Y965 HydrophobicContact CE1-CG 4.43Å; Y950-D976 HydrophobicContact CE1-CB 3.82Å; Y950-D976 PolarHBondContact OH-OD2 2.69Å
951	C	97.1	Very high	94.4	Very high	14 Å²	14	33.2 Å²	33.2	10%	0.095	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	104.4	175.1	-171.7	0	0	0	0	113.5	P736 V920 L964 F966 R1006	P736-C951 HydrophobicContact CB-CB 4.21Å; P736-C951 HydrophobicContact CG-CB 4.32Å; V920-C951 HydrophobicContact CG2-CB 3.89Å; C951-L964 PolarHBondContact N-O 3.24Å; C951-L964 VanDerWaalsContact N-O 3.08Å; C951-L964 WeakPolarHBondContact O-CB 3.39Å; C951-F966 HydrophobicContact CB-CD2 4.49Å; C951-F966 HydrophobicContact CB-CE2 4.02Å; C951-F966 WeakPolarHBondContact O-CE2 3.19Å; C951-R1006 PolarHBondContact O-NH2 2.82Å
952	P	96.1	Very high	94.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-77.6	172.7	1	28.3	-18.5	0	0	0	111.5	F732 Y733 G963 L964 L1003 R1006	F732-P952 HydrophobicContact CE2-CB 3.99Å; F732-P952 HydrophobicContact CE2-CG 4.28Å; F732-P952 HydrophobicContact CZ-CB 3.9Å; F732-P952 HydrophobicContact CZ-CG 4.14Å; Y733-P952 CarbonylContact O-C 3.49Å; Y733-P952 WeakPolarHBondContact O-CA 3.37Å; Y733-P952 VanDerWaalsContact O-CB 3.3Å; Y733-P952 WeakPolarHBondContact O-CB 3.48Å; P952-G963 WeakPolarHBondContact O-CA 3.35Å; P952-L964 PolarHBondContact O-N 3.44Å; P952-L1003 HydrophobicContact CB-CD2 4.42Å; P952-L1003 WeakPolarHBondContact CD-O 3.23Å; P952-L1003 HydrophobicContact CG-CB 4.18Å; P952-L1003 HydrophobicContact CG-CD2 3.71Å; P952-R1006 VanDerWaalsContact CB-NH1 3.31Å
953	Y	96.6	Very high	94.5	Very high	0 Å²	0	30 Å²	30	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	119	178.7	-175	-119.4	0	0	0	111.4	Y733 I737 I904 Y950 L955 Y961	Y733-Y953 WeakPolarHBondContact CB-O 3.46Å; Y733-Y953 HydrophobicContact CD2-CD1 4.14Å; Y733-Y953 PolarHBondContact N-O 3.34Å; Y733-Y953 PolarHBondContact O-N 3.4Å; I737-Y953 HydrophobicContact CB-CD1 4.33Å; I737-Y953 HydrophobicContact CB-CG 4.47Å; I737-Y953 HydrophobicContact CG1-CD1 3.97Å; I737-Y953 HydrophobicContact CG1-CG 4.23Å; I737-Y953 HydrophobicContact CG2-CD1 4.3Å; I904-Y953 HydrophobicContact CD1-CD1 3.95Å; I904-Y953 HydrophobicContact CD1-CE1 3.96Å; Y950-Y953 HydrophobicContact CD1-CD2 4.28Å; Y950-Y953 AromaticContact CD2-CD2 3.71Å; Y950-Y953 HydrophobicContact CD2-CD2 3.71Å; Y950-Y953 AromaticContact CD2-CE2 3.67Å; Y950-Y953 HydrophobicContact CD2-CE2 3.67Å; Y950-Y953 HydrophobicContact CE2-CD2 4.49Å; Y950-Y953 HydrophobicContact CE2-CE2 4.07Å; Y950-Y953 AromaticContact CG-CD2 3.57Å; Y950-Y953 HydrophobicContact CG-CD2 3.57Å; Y950-Y953 AromaticContact CG-CE2 3.99Å; Y950-Y953 HydrophobicContact CG-CE2 3.99Å; Y950-Y953 HydrophobicContact CG-CG 4.42Å; Y953-L955 HydrophobicContact CD1-CB 4.11Å; Y953-L955 HydrophobicContact CE1-CB 3.68Å; Y953-L955 HydrophobicContact CE1-CD1 4.21Å; Y953-L955 HydrophobicContact CE1-CD2 4.14Å; Y953-L955 HydrophobicContact CE1-CG 4.22Å; Y953-Y961 AromaticContact CE2-CD2 3.58Å; Y953-Y961 HydrophobicContact CE2-CD2 3.58Å; Y953-Y961 HydrophobicContact CE2-CE2 4.33Å; Y953-Y961 AromaticContact CE2-CG 3.85Å; Y953-Y961 HydrophobicContact CE2-CG 3.85Å; Y953-Y961 AromaticContact CZ-CG 3.93Å; Y953-Y961 WeakPolarHBondContact OH-CB 3.41Å; Y953-Y961 VanDerWaalsContact OH-CG 3.29Å
954	L	96	Very high	94.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	105.6	173.8	177.1	62	0	0	0	109.2	F732 I956 Y961 A962 L999 I1121 P1124	F732-L954 HydrophobicContact CB-CD1 4.33Å; F732-L954 HydrophobicContact CD2-CB 4.16Å; F732-L954 HydrophobicContact CD2-CD1 4.13Å; L954-I956 HydrophobicContact CD1-CG1 4.34Å; L954-I956 HydrophobicContact CD2-CD1 4.16Å; L954-I956 HydrophobicContact CD2-CG1 4.36Å; L954-I956 HydrophobicContact CG-CD1 4.25Å; L954-I956 HydrophobicContact CG-CG1 3.96Å; L954-Y961 CarbonylContact O-C 3.55Å; L954-Y961 WeakPolarHBondContact O-CA 3.36Å; L954-Y961 WeakPolarHBondContact O-CB 3.27Å; L954-A962 WeakPolarHBondContact CA-O 3.38Å; L954-A962 WeakPolarHBondContact CB-O 3.48Å; L954-A962 PolarHBondContact N-O 3.07Å; L954-A962 PolarHBondContact O-N 3.18Å; L954-L999 HydrophobicContact CD2-CD2 3.86Å; L954-I1121 HydrophobicContact CD2-CB 4.3Å; L954-I1121 HydrophobicContact CD2-CG2 4.39Å; L954-P1124 HydrophobicContact CD1-CB 3.9Å; L954-P1124 HydrophobicContact CD1-CG 4.02Å
955	L	94.8	Very high	94.7	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	112.1	178	-179.8	55.9	0	0	0	110.1	P728 R729 K730 G731 Y733 I904 Y905 Y953	P728-L955 HydrophobicContact CB-CD1 3.87Å; P728-L955 HydrophobicContact CB-CD2 3.81Å; P728-L955 HydrophobicContact CB-CG 3.85Å; R729-L955 VanDerWaalsContact O-CD2 3.28Å; R729-L955 WeakPolarHBondContact O-CD2 3.23Å; K730-L955 WeakPolarHBondContact CA-O 3.3Å; G731-L955 PolarHBondContact N-O 2.92Å; G731-L955 PolarHBondContact O-N 3.36Å; Y733-L955 HydrophobicContact CD2-CB 4.42Å; Y733-L955 HydrophobicContact CE2-CB 4.09Å; Y733-L955 HydrophobicContact CE2-CD2 4.35Å; I904-L955 HydrophobicContact CB-CD2 4.47Å; I904-L955 HydrophobicContact CD1-CD2 4.14Å; I904-L955 HydrophobicContact CG1-CD2 4.33Å; Y905-L955 HydrophobicContact CD1-CD1 4.14Å; Y905-L955 HydrophobicContact CD2-CD1 4.48Å; Y905-L955 HydrophobicContact CG-CD1 4.04Å; Y905-L955 HydrophobicContact CG-CD2 4.39Å; Y953-L955 HydrophobicContact CD1-CB 4.11Å; Y953-L955 HydrophobicContact CE1-CB 3.68Å; Y953-L955 HydrophobicContact CE1-CD1 4.21Å; Y953-L955 HydrophobicContact CE1-CD2 4.14Å; Y953-L955 HydrophobicContact CE1-CG 4.22Å
956	I	92.3	Very high	94.8	Very high	9 Å²	9	22.1 Å²	22.1	5%	0.046	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-57.3	-172.2	-60.2	162.5	0	0	0	110.7	K730 L954 R960 I980 R1120 I1121	K730-I956 WeakPolarHBondContact CD-O 3.39Å; K730-I956 WeakPolarHBondContact CE-O 3.47Å; K730-I956 WeakPolarHBondContact CG-O 3.5Å; L954-I956 HydrophobicContact CD1-CG1 4.34Å; L954-I956 HydrophobicContact CD2-CD1 4.16Å; L954-I956 HydrophobicContact CD2-CG1 4.36Å; L954-I956 HydrophobicContact CG-CD1 4.25Å; L954-I956 HydrophobicContact CG-CG1 3.96Å; I956-R960 HydrophobicContact CB-CB 4.37Å; I956-R960 WeakPolarHBondContact CB-O 3.15Å; I956-R960 PolarHBondContact N-O 3.28Å; I956-R960 VanDerWaalsContact N-O 3.08Å; I956-I980 HydrophobicContact CD1-CD1 4.02Å; I956-I980 HydrophobicContact CD1-CG1 4.16Å; I956-R1120 HydrophobicContact CB-CG 4.44Å; I956-R1120 HydrophobicContact CD1-CG 4.14Å; I956-R1120 HydrophobicContact CG2-CG 3.25Å; I956-I1121 HydrophobicContact CD1-CG2 4.49Å
957	N	90.2	Very high	94.7	Very high	56 Å²	56	23.2 Å²	23.2	30%	0.299	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	176	-172.6	-90.9	-15	0	0	0	109.2	K730 K959 R960	K730-N957 WeakPolarHBondContact CE-OD1 3.34Å; K730-N957 PolarHBondContact NZ-OD1 3.01Å; N957-K959 PolarHBondContact O-N 3.22Å; N957-R960 HydrophobicContact CB-CB 4.08Å; N957-R960 HydrophobicContact CB-CG 4.49Å; N957-R960 PolarHBondContact N-O 2.79Å; N957-R960 PolarHBondContact O-N 3.16Å; N957-R960 VanDerWaalsContact O-O 3.12Å
958	K	88.2	Confident	94.7	Very high	84 Å²	84	27 Å²	27	37%	0.365	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	128.8	170.6	-64.8	-172.5	177.9	-176.2	0	110.3	V725 E727 P728 R960	V725-K958 HydrophobicContact CB-CD 3.96Å; V725-K958 HydrophobicContact CB-CG 4.39Å; V725-K958 HydrophobicContact CG1-CB 3.83Å; V725-K958 HydrophobicContact CG1-CD 3.7Å; V725-K958 HydrophobicContact CG1-CG 3.58Å; V725-K958 PolarHBondContact O-NZ 3.45Å; E727-K958 WeakPolarHBondContact OE1-CE 3.33Å; E727-K958 IonicContact OE1-NZ 2.68Å; E727-K958 PolarHBondContact OE1-NZ 2.81Å; E727-K958 WeakPolarHBondContact OE2-CE 3.2Å; E727-K958 IonicContact OE2-NZ 2.96Å; P728-K958 HydrophobicContact CG-CG 4.41Å; K958-R960 PolarHBondContact O-N 2.75Å; K958-R960 VanDerWaalsContact O-N 3.1Å
959	K	86.5	Confident	94.6	Very high	56 Å²	56	28.9 Å²	28.9	24%	0.243	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	20	-178.9	-55.6	-172.4	170.2	-177.1	0	114	Y905 D907 N957 K978 G979	Y905-K959 PolarHBondContact OH-N 3.23Å; D907-K959 WeakPolarHBondContact OD1-CE 3.38Å; D907-K959 WeakPolarHBondContact OD2-CG 2.85Å; N957-K959 PolarHBondContact O-N 3.22Å; K959-K978 CarbonylContact O-C 3.53Å; K959-G979 VanDerWaalsContact O-CA 3.31Å; K959-G979 WeakPolarHBondContact O-CA 3.49Å; K959-G979 PolarHBondContact O-N 2.76Å
960	R	91.2	Very high	94.2	Very high	59 Å²	59	35.1 Å²	35.1	22%	0.223	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	98.7	-177.1	-63.6	-171.2	-171.5	-132.5	11	110.9	I956 N957 K958 K978 G979 R1120	I956-R960 HydrophobicContact CB-CB 4.37Å; I956-R960 WeakPolarHBondContact CB-O 3.15Å; I956-R960 PolarHBondContact N-O 3.28Å; I956-R960 VanDerWaalsContact N-O 3.08Å; N957-R960 HydrophobicContact CB-CB 4.08Å; N957-R960 HydrophobicContact CB-CG 4.49Å; N957-R960 PolarHBondContact N-O 2.79Å; N957-R960 PolarHBondContact O-N 3.16Å; N957-R960 VanDerWaalsContact O-O 3.12Å; K958-R960 PolarHBondContact O-N 2.75Å; K958-R960 VanDerWaalsContact O-N 3.1Å; R960-K978 VanDerWaalsContact CA-O 3.24Å; R960-K978 WeakPolarHBondContact CA-O 3.44Å; R960-G979 WeakPolarHBondContact CG-O 3.41Å; R960-R1120 VanDerWaalsContact NH1-NH1 3.16Å
961	Y	94.1	Very high	94	Very high	16 Å²	16	43.6 Å²	43.6	6%	0.063	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	158.1	-179.6	57.6	-99.1	0	0	0	111.9	Y905 Y950 Y953 L954 K978 I980	Y905-Y961 HydrophobicContact CE1-CD1 4.16Å; Y905-Y961 HydrophobicContact CE1-CE1 4.06Å; Y950-Y961 HydrophobicContact CE2-CE2 4.32Å; Y953-Y961 AromaticContact CE2-CD2 3.58Å; Y953-Y961 HydrophobicContact CE2-CD2 3.58Å; Y953-Y961 HydrophobicContact CE2-CE2 4.33Å; Y953-Y961 AromaticContact CE2-CG 3.85Å; Y953-Y961 HydrophobicContact CE2-CG 3.85Å; Y953-Y961 AromaticContact CZ-CG 3.93Å; Y953-Y961 WeakPolarHBondContact OH-CB 3.41Å; Y953-Y961 VanDerWaalsContact OH-CG 3.29Å; L954-Y961 CarbonylContact O-C 3.55Å; L954-Y961 WeakPolarHBondContact O-CA 3.36Å; L954-Y961 WeakPolarHBondContact O-CB 3.27Å; Y961-K978 HydrophobicContact CD1-CB 4.23Å; Y961-K978 HydrophobicContact CD2-CB 4.16Å; Y961-K978 HydrophobicContact CD2-CG 4.14Å; Y961-K978 HydrophobicContact CE1-CB 3.89Å; Y961-K978 HydrophobicContact CE1-CG 4.09Å; Y961-K978 HydrophobicContact CE2-CB 3.84Å; Y961-K978 HydrophobicContact CE2-CG 3.41Å; Y961-K978 VanDerWaalsContact CE2-CG 3.41Å; Y961-K978 HydrophobicContact CG-CB 4.36Å; Y961-K978 PolarHBondContact N-O 2.98Å; Y961-K978 PolarHBondContact O-N 3.3Å; Y961-K978 WeakPolarHBondContact OH-CG 3.41Å; Y961-I980 VanDerWaalsContact C-CD1 3.46Å; Y961-I980 VanDerWaalsContact O-CD1 3.27Å; Y961-I980 WeakPolarHBondContact O-CD1 3.49Å
962	A	95.8	Very high	93.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	147.6	171.2	0	0	0	0	0	110.9	L954 D976 I980 L999 L1003	L954-A962 WeakPolarHBondContact CA-O 3.38Å; L954-A962 WeakPolarHBondContact CB-O 3.48Å; L954-A962 PolarHBondContact N-O 3.07Å; L954-A962 PolarHBondContact O-N 3.18Å; A962-D976 CarbonylContact C-O 3.59Å; A962-D976 WeakPolarHBondContact CA-O 3.3Å; A962-I980 HydrophobicContact CB-CD1 3.59Å; A962-L999 HydrophobicContact CB-CD1 4.11Å; A962-L999 HydrophobicContact CB-CD2 4.08Å; A962-L1003 HydrophobicContact CB-CD1 3.98Å
963	G	96.3	Very high	93.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.9	162.7	176.5	0	0	0	0	0	112.7	P952 D976	P952-G963 WeakPolarHBondContact O-CA 3.35Å; G963-D976 PolarHBondContact N-O 3.2Å; G963-D976 PolarHBondContact O-N 2.92Å
964	L	97.8	Very high	93.6	Very high	8 Å²	8	52.8 Å²	52.8	4%	0.042	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	122.4	169.2	-62.7	-174.9	0	0	0	109	Y950 C951 P952 F966 H972 M975 L1003 I1004	Y950-L964 VanDerWaalsContact CA-O 3.22Å; Y950-L964 WeakPolarHBondContact CA-O 3.46Å; C951-L964 PolarHBondContact N-O 3.24Å; C951-L964 VanDerWaalsContact N-O 3.08Å; C951-L964 WeakPolarHBondContact O-CB 3.39Å; P952-L964 PolarHBondContact O-N 3.44Å; L964-F966 HydrophobicContact CB-CD2 4.47Å; L964-F966 HydrophobicContact CB-CE2 3.74Å; L964-F966 HydrophobicContact CB-CZ 4.49Å; L964-F966 VanDerWaalsContact O-CD2 3.27Å; L964-F966 WeakPolarHBondContact O-CD2 3.19Å; L964-H972 HydrophobicContact CB-CB 3.93Å; L964-M975 HydrophobicContact CD2-CB 4.01Å; L964-M975 HydrophobicContact CD2-CG 4.23Å; L964-L1003 WeakPolarHBondContact CD1-O 3.38Å; L964-L1003 HydrophobicContact CD2-CB 4.19Å; L964-L1003 HydrophobicContact CG-CB 4.19Å; L964-I1004 HydrophobicContact CD1-CG1 4.39Å; L964-I1004 HydrophobicContact CD2-CD1 4.49Å; L964-I1004 HydrophobicContact CD2-CG1 3.7Å
965	Y	97	Very high	93.6	Very high	34 Å²	34	54.6 Å²	54.6	13%	0.133	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	126.5	-172.3	-174.1	-69.2	0	0	0	110.3	K948 Y950 T967 H972 D973 K974 D976	K948-Y965 HydrophobicContact CB-CE1 4.07Å; K948-Y965 HydrophobicContact CB-CE2 4.28Å; K948-Y965 HydrophobicContact CD-CD2 3.69Å; K948-Y965 HydrophobicContact CD-CE1 4.32Å; K948-Y965 HydrophobicContact CD-CE2 3.05Å; K948-Y965 HydrophobicContact CG-CE2 4.24Å; Y950-Y965 AromaticContact CE1-CD2 3.92Å; Y950-Y965 HydrophobicContact CE1-CD2 3.92Å; Y950-Y965 HydrophobicContact CE1-CG 4.43Å; Y965-T967 HydrophobicContact CD1-CG2 4.46Å; Y965-T967 HydrophobicContact CE1-CG2 3.57Å; Y965-H972 CarbonylContact O-C 3.53Å; Y965-H972 VanDerWaalsContact O-CA 3.26Å; Y965-H972 WeakPolarHBondContact O-CA 3.35Å; Y965-H972 WeakPolarHBondContact O-CB 3.38Å; Y965-D973 HydrophobicContact CD1-CB 4.09Å; Y965-D973 WeakPolarHBondContact CD1-OD2 3.47Å; Y965-D973 PolarHBondContact O-N 3.17Å; Y965-K974 VanDerWaalsContact CB-O 3.3Å; Y965-K974 WeakPolarHBondContact CB-O 3.37Å; Y965-K974 PolarHBondContact N-O 2.89Å; Y965-D976 HydrophobicContact CD2-CB 4.13Å
966	F	97.9	Very high	93.6	Very high	19 Å²	19	54.9 Å²	54.9	8%	0.083	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117	178.1	-65.7	-105	0	0	0	111.2	V920 M924 K948 V949 C951 L964 K968 R971 H972	V920-F966 HydrophobicContact CG1-CB 4Å; V920-F966 HydrophobicContact CG1-CD1 4.11Å; V920-F966 HydrophobicContact CG1-CG 4.07Å; V920-F966 HydrophobicContact CG2-CD1 4.42Å; V920-F966 HydrophobicContact CG2-CE1 4.35Å; V920-F966 HydrophobicContact CG2-CZ 4.4Å; M924-F966 HydrophobicContact CE-CB 3.68Å; M924-F966 WeakPolarHBondContact CE-O 3.26Å; K948-F966 WeakPolarHBondContact CA-O 3.47Å; V949-F966 HydrophobicContact CB-CB 4.42Å; V949-F966 PolarHBondContact N-O 3.31Å; V949-F966 PolarHBondContact O-N 3.12Å; C951-F966 HydrophobicContact CB-CD2 4.49Å; C951-F966 HydrophobicContact CB-CE2 4.02Å; C951-F966 WeakPolarHBondContact O-CE2 3.19Å; L964-F966 HydrophobicContact CB-CD2 4.47Å; L964-F966 HydrophobicContact CB-CE2 3.74Å; L964-F966 HydrophobicContact CB-CZ 4.49Å; L964-F966 VanDerWaalsContact O-CD2 3.27Å; L964-F966 WeakPolarHBondContact O-CD2 3.19Å; F966-K968 WeakPolarHBondContact CD1-O 3.48Å; F966-R971 VanDerWaalsContact CD1-C 3.45Å; F966-R971 WeakPolarHBondContact CD1-O 3.25Å; F966-R971 VanDerWaalsContact CE1-C 3.45Å; F966-H972 HydrophobicContact CD1-CB 4.14Å; F966-H972 HydrophobicContact CD2-CB 4.05Å; F966-H972 HydrophobicContact CE1-CB 3.82Å; F966-H972 HydrophobicContact CE2-CB 3.69Å; F966-H972 HydrophobicContact CG-CB 4.26Å; F966-H972 HydrophobicContact CZ-CB 3.58Å
967	T	94.1	Very high	93.6	Very high	60 Å²	60	55.2 Å²	55.2	37%	0.368	26%	0.261	S	S	.	.	S	Bend	trans	-90.2	-28.4	159.3	55	0	0	0	0	112.3	M924 Y965 D973	M924-T967 VanDerWaalsContact CE-C 3.48Å; M924-T967 WeakPolarHBondContact CE-O 3.29Å; Y965-T967 HydrophobicContact CD1-CG2 4.46Å; Y965-T967 HydrophobicContact CE1-CG2 3.57Å; T967-D973 WeakPolarHBondContact CB-OD2 3.49Å; T967-D973 WeakPolarHBondContact CG2-OD2 3.38Å; T967-D973 PolarHBondContact N-OD2 3.37Å; T967-D973 PolarHBondContact OG1-OD1 3.48Å; T967-D973 PolarHBondContact OG1-OD2 3.38Å
968	K	93.6	Very high	93.6	Very high	132 Å²	132	56.3 Å²	56.3	57%	0.574	26%	0.263	S	S	*	.	S	Bend	trans	-117.8	149.5	175.7	-60.9	177.4	-175.5	170.2	0	110.5	F966 D970	F966-K968 WeakPolarHBondContact CD1-O 3.48Å; K968-D970 VanDerWaalsContact CB-OD1 3.26Å; K968-D970 WeakPolarHBondContact CB-OD1 3.38Å; K968-D970 PolarHBondContact O-N 3.11Å
969	P	93.6	Very high	93.6	Very high	59 Å²	59	53.8 Å²	53.8	38%	0.383	26%	0.26	S	S	.	.	S	Bend	trans	-76.3	-21	-169.8	28.2	-34.7	0	0	0	114.8	V920 T921 M924	V920-P969 HydrophobicContact CG1-CB 4.46Å; T921-P969 VanDerWaalsContact OG1-CB 3.29Å; T921-P969 WeakPolarHBondContact OG1-CB 3.42Å; M924-P969 HydrophobicContact SD-CB 4.09Å
970	D	91.7	Very high	93.6	Very high	131 Å²	131	51.1 Å²	51.1	70%	0.701	25%	0.249	S	C	*	.	S	Bend	trans	-78.8	-37.4	-170.5	55.5	-59.9	0	0	0	113.5	K968	K968-D970 VanDerWaalsContact CB-OD1 3.26Å; K968-D970 WeakPolarHBondContact CB-OD1 3.38Å; K968-D970 PolarHBondContact O-N 3.11Å
971	R	92.2	Very high	93.5	Very high	178 Å²	178	48.8 Å²	48.8	67%	0.672	24%	0.24	S	C	*	.	S	Bend	trans	-149.3	145.3	-176.5	-170.8	-178.8	172.1	174.6	-1.1	110.9	F966	F966-R971 VanDerWaalsContact CD1-C 3.45Å; F966-R971 WeakPolarHBondContact CD1-O 3.25Å; F966-R971 VanDerWaalsContact CE1-C 3.45Å
972	H	94.5	Very high	92.7	Very high	51 Å²	51	49.1 Å²	49.1	24%	0.236	24%	0.244	C	C	.	.			trans	-70	141	171.2	64	-89.1	0	0	0	110.5	L964 Y965 F966	L964-H972 HydrophobicContact CB-CB 3.93Å; Y965-H972 CarbonylContact O-C 3.53Å; Y965-H972 VanDerWaalsContact O-CA 3.26Å; Y965-H972 WeakPolarHBondContact O-CA 3.35Å; Y965-H972 WeakPolarHBondContact O-CB 3.38Å; F966-H972 HydrophobicContact CD1-CB 4.14Å; F966-H972 HydrophobicContact CD2-CB 4.05Å; F966-H972 HydrophobicContact CE1-CB 3.82Å; F966-H972 HydrophobicContact CE2-CB 3.69Å; F966-H972 HydrophobicContact CG-CB 4.26Å; F966-H972 HydrophobicContact CZ-CB 3.58Å
973	D	94.2	Very high	91.5	Very high	82 Å²	82	53.3 Å²	53.3	44%	0.439	27%	0.269	S	S	.	.			trans	-75.1	-48.1	177.7	-55.3	-42.7	0	0	0	110.2	Y965 T967	Y965-D973 HydrophobicContact CD1-CB 4.09Å; Y965-D973 WeakPolarHBondContact CD1-OD2 3.47Å; Y965-D973 PolarHBondContact O-N 3.17Å; T967-D973 WeakPolarHBondContact CB-OD2 3.49Å; T967-D973 WeakPolarHBondContact CG2-OD2 3.38Å; T967-D973 PolarHBondContact N-OD2 3.37Å; T967-D973 PolarHBondContact OG1-OD1 3.48Å; T967-D973 PolarHBondContact OG1-OD2 3.38Å
974	K	94.5	Very high	90.4	Very high	75 Å²	75	57.4 Å²	57.4	33%	0.326	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	167.3	179.7	63.4	-174.5	176	-176.8	0	112.8	E46 Y965	E46-K974 IonicContact OE2-NZ 3.62Å; E46-K974 PolarHBondContact OE2-NZ 3.18Å; Y965-K974 VanDerWaalsContact CB-O 3.3Å; Y965-K974 WeakPolarHBondContact CB-O 3.37Å; Y965-K974 PolarHBondContact N-O 2.89Å
975	M	94.9	Very high	89.3	Confident	37 Å²	37	60.8 Å²	60.8	18%	0.182	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	109.6	164.7	-176.5	178.1	71.7	0	0	108.4	L964 N996 L999 E1000 L1003	L964-M975 HydrophobicContact CD2-CB 4.01Å; L964-M975 HydrophobicContact CD2-CG 4.23Å; M975-N996 WeakPolarHBondContact CE-OD1 3.32Å; M975-L999 HydrophobicContact CE-CB 4.13Å; M975-L999 HydrophobicContact SD-CB 3.82Å; M975-E1000 HydrophobicContact CE-CG 3.89Å; M975-E1000 HydrophobicContact SD-CG 4.15Å; M975-L1003 HydrophobicContact CG-CD1 3.9Å; M975-L1003 HydrophobicContact SD-CD1 3.87Å
976	D	94.5	Very high	88.2	Confident	7 Å²	7	61.8 Å²	61.8	4%	0.037	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	135.2	-179.1	-172.9	22.4	0	0	0	110.4	Y950 A962 G963 Y965 K978	Y950-D976 HydrophobicContact CE1-CB 3.82Å; Y950-D976 PolarHBondContact OH-OD2 2.69Å; A962-D976 CarbonylContact C-O 3.59Å; A962-D976 WeakPolarHBondContact CA-O 3.3Å; G963-D976 PolarHBondContact N-O 3.2Å; G963-D976 PolarHBondContact O-N 2.92Å; Y965-D976 HydrophobicContact CD2-CB 4.13Å; D976-K978 WeakPolarHBondContact OD1-CE 3.32Å; D976-K978 IonicContact OD1-NZ 3.97Å
977	C	93.1	Very high	87.7	Confident	15 Å²	15	61.5 Å²	61.5	10%	0.101	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	111.7	-178.7	-67.3	0	0	0	0	109.6	T982	C977-T982 WeakPolarHBondContact CB-OG1 3.42Å
978	K	90.1	Very high	87.5	Confident	80 Å²	80	58.7 Å²	58.7	35%	0.348	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.8	178.3	-60.2	-56.5	-172.1	-171.8	0	110.9	K959 R960 Y961 D976 I980	K959-K978 CarbonylContact O-C 3.53Å; R960-K978 VanDerWaalsContact CA-O 3.24Å; R960-K978 WeakPolarHBondContact CA-O 3.44Å; Y961-K978 HydrophobicContact CD1-CB 4.23Å; Y961-K978 HydrophobicContact CD2-CB 4.16Å; Y961-K978 HydrophobicContact CD2-CG 4.14Å; Y961-K978 HydrophobicContact CE1-CB 3.89Å; Y961-K978 HydrophobicContact CE1-CG 4.09Å; Y961-K978 HydrophobicContact CE2-CB 3.84Å; Y961-K978 HydrophobicContact CE2-CG 3.41Å; Y961-K978 VanDerWaalsContact CE2-CG 3.41Å; Y961-K978 HydrophobicContact CG-CB 4.36Å; Y961-K978 PolarHBondContact N-O 2.98Å; Y961-K978 PolarHBondContact O-N 3.3Å; Y961-K978 WeakPolarHBondContact OH-CG 3.41Å; D976-K978 WeakPolarHBondContact OD1-CE 3.32Å; D976-K978 IonicContact OD1-NZ 3.97Å; K978-I980 PolarHBondContact O-N 3.38Å
979	G	87.2	Confident	87.4	Confident	30 Å²	30	53.9 Å²	53.9	31%	0.309	27%	0.269	S	S	.	.	S	Bend	trans	61.6	12.9	175.9	0	0	0	0	0	116.4	K959 R960	K959-G979 VanDerWaalsContact O-CA 3.31Å; K959-G979 WeakPolarHBondContact O-CA 3.49Å; K959-G979 PolarHBondContact O-N 2.76Å; R960-G979 WeakPolarHBondContact CG-O 3.41Å
980	I	88.1	Confident	87.4	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	25%	0.253	C	S	.	.	S	Bend	trans	-95	155.7	177.1	-64.3	164.8	0	0	0	109.4	I956 Y961 A962 K978 T982 V983 I995 L999	I956-I980 HydrophobicContact CD1-CD1 4.02Å; I956-I980 HydrophobicContact CD1-CG1 4.16Å; Y961-I980 VanDerWaalsContact C-CD1 3.46Å; Y961-I980 VanDerWaalsContact O-CD1 3.27Å; Y961-I980 WeakPolarHBondContact O-CD1 3.49Å; A962-I980 HydrophobicContact CB-CD1 3.59Å; K978-I980 PolarHBondContact O-N 3.38Å; I980-T982 HydrophobicContact CG2-CG2 4.31Å; I980-T982 PolarHBondContact O-N 3.44Å; I980-V983 VanDerWaalsContact O-CG2 3.26Å; I980-V983 WeakPolarHBondContact O-CG2 3.23Å; I980-V983 PolarHBondContact O-N 2.87Å; I980-V983 VanDerWaalsContact O-N 3.16Å; I980-I995 HydrophobicContact CG2-CG2 3.73Å; I980-L999 HydrophobicContact CG2-CD1 4.44Å
981	E	87.8	Confident	87.5	Confident	9 Å²	9	45.3 Å²	45.3	4%	0.042	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-53.1	-23.3	-179	-79.2	76.5	-169.3	0	0	116	V983 R984 N987 V991 I995 P1117 R1120	E981-V983 PolarHBondContact O-N 3.04Å; E981-R984 PolarHBondContact O-N 2.78Å; E981-R984 VanDerWaalsContact O-N 3.11Å; E981-N987 VanDerWaalsContact CG-ND2 3.32Å; E981-N987 WeakPolarHBondContact CG-ND2 3.33Å; E981-V991 HydrophobicContact CB-CG1 3.81Å; E981-V991 HydrophobicContact CG-CG1 3.94Å; E981-I995 HydrophobicContact CB-CG1 4.46Å; E981-P1117 HydrophobicContact CB-CB 4.3Å; E981-P1117 HydrophobicContact CG-CB 3.77Å; E981-P1117 HydrophobicContact CG-CG 3.56Å; E981-R1120 IonicContact OE1-CZ 2.75Å; E981-R1120 IonicContact OE1-NH1 2.97Å; E981-R1120 PolarHBondContact OE1-NH1 3.43Å; E981-R1120 IonicContact OE1-NH2 3.65Å; E981-R1120 IonicContact OE2-NH1 3.9Å; E981-R1120 PolarHBondContact OE2-NH1 3.21Å
982	T	77.9	Confident	87.5	Confident	24 Å²	24	37.2 Å²	37.2	15%	0.147	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-52.8	-36.2	175.7	51	0	0	0	0	112.5	C977 I980 I995 N996 L999	C977-T982 WeakPolarHBondContact CB-OG1 3.42Å; I980-T982 HydrophobicContact CG2-CG2 4.31Å; I980-T982 PolarHBondContact O-N 3.44Å; T982-I995 HydrophobicContact CG2-CB 4Å; T982-I995 HydrophobicContact CG2-CG2 3.69Å; T982-N996 HydrophobicContact CG2-CB 3.94Å; T982-L999 HydrophobicContact CG2-CD1 4.14Å
983	V	69.5	Low	87.4	Confident	87 Å²	87	38.8 Å²	38.8	53%	0.527	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-105.3	1.4	-178.7	-63.7	0	0	0	0	113.4	I980 E981	I980-V983 VanDerWaalsContact O-CG2 3.26Å; I980-V983 WeakPolarHBondContact O-CG2 3.23Å; I980-V983 PolarHBondContact O-N 2.87Å; I980-V983 VanDerWaalsContact O-N 3.16Å; E981-V983 PolarHBondContact O-N 3.04Å
984	R	73.9	Confident	87.5	Confident	86 Å²	86	35 Å²	35	33%	0.325	18%	0.181	S	C	.	.			trans	-88.3	133.2	-176.4	-70.5	-174.4	65.2	98.6	-4.4	112.8	R609 E981 D986	R609-R984 PolarHBondContact NH2-O 2.82Å; E981-R984 PolarHBondContact O-N 2.78Å; E981-R984 VanDerWaalsContact O-N 3.11Å; R984-D986 WeakPolarHBondContact CB-OD1 3.34Å; R984-D986 IonicContact CZ-OD1 2.96Å; R984-D986 IonicContact CZ-OD2 2.93Å; R984-D986 IonicContact NE-OD1 3.63Å; R984-D986 PolarHBondContact NE-OD1 3.14Å; R984-D986 IonicContact NE-OD2 3.68Å; R984-D986 IonicContact NH2-OD1 3.95Å; R984-D986 PolarHBondContact NH2-OD1 3.02Å; R984-D986 IonicContact NH2-OD2 3.92Å; R984-D986 PolarHBondContact NH2-OD2 3.23Å
985	R	74	Confident	87.5	Confident	80 Å²	80	31.4 Å²	31.4	30%	0.302	17%	0.166	S	C	.	.	S	Bend	trans	-87.6	-11.9	-175.8	-64.6	-174	-72.2	175.5	-3.4	115.5	K607 L608 R609 R1072	K607-R985 VanDerWaalsContact C-NH1 3.26Å; L608-R985 VanDerWaalsContact O-CD 3.29Å; L608-R985 WeakPolarHBondContact O-CD 3.43Å; L608-R985 PolarHBondContact O-NH1 3.18Å; R609-R985 HydrophobicContact CG-CG 4.11Å; R985-R1072 PolarHBondContact O-NH2 3.31Å
986	D	75.1	Confident	87.5	Confident	54 Å²	54	32.1 Å²	32.1	29%	0.289	17%	0.17	S	C	.	.	S	Bend	trans	-86.7	-14.9	-176.7	59.4	-34.8	0	0	0	113.6	R984 I1034	R984-D986 WeakPolarHBondContact CB-OD1 3.34Å; R984-D986 IonicContact CZ-OD1 2.96Å; R984-D986 IonicContact CZ-OD2 2.93Å; R984-D986 IonicContact NE-OD1 3.63Å; R984-D986 PolarHBondContact NE-OD1 3.14Å; R984-D986 IonicContact NE-OD2 3.68Å; R984-D986 IonicContact NH2-OD1 3.95Å; R984-D986 PolarHBondContact NH2-OD1 3.02Å; R984-D986 IonicContact NH2-OD2 3.92Å; R984-D986 PolarHBondContact NH2-OD2 3.23Å; D986-I1034 WeakPolarHBondContact O-CG2 3.24Å
987	N	86.6	Confident	87.6	Confident	14 Å²	14	32.3 Å²	32.3	8%	0.075	17%	0.173	C	C	.	.	S	Bend	trans	-96.5	157	174	-65.4	-50.3	0	0	0	111.9	R609 E981 V991 Q1113	R609-N987 PolarHBondContact NH1-O 3.1Å; E981-N987 VanDerWaalsContact CG-ND2 3.32Å; E981-N987 WeakPolarHBondContact CG-ND2 3.33Å; N987-V991 HydrophobicContact CB-CB 3.96Å; N987-V991 HydrophobicContact CB-CG1 4.31Å; N987-V991 HydrophobicContact CB-CG2 3.93Å; N987-Q1113 PolarHBondContact OD1-NE2 3.36Å; N987-Q1113 VanDerWaalsContact OD1-NE2 3.07Å; N987-Q1113 PolarHBondContact OD1-OE1 3.48Å
988	S	90.9	Very high	87.8	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.168	C	C	.	.			trans	-65.9	153.1	174.7	82.9	0	0	0	0	111.6	L990 V991 Q1031 V1033	S988-L990 PolarHBondContact O-N 2.68Å; S988-L990 VanDerWaalsContact O-N 3.13Å; S988-V991 WeakPolarHBondContact O-CB 3.18Å; S988-V991 PolarHBondContact O-N 3.47Å; S988-Q1031 WeakPolarHBondContact CB-O 3.31Å; S988-Q1031 PolarHBondContact OG-O 2.61Å; S988-V1033 WeakPolarHBondContact CA-O 3.29Å
989	P	90.4	Very high	88.1	Confident	31 Å²	31	27.8 Å²	27.8	20%	0.201	15%	0.151	C	C	.	.	H	α-helix	trans	-55.5	-29.9	178.9	-26.3	33.1	0	0	0	114	V991 A992 N993 Q1031 V1033	P989-V991 PolarHBondContact O-N 2.91Å; P989-A992 PolarHBondContact O-N 2.91Å; P989-N993 WeakPolarHBondContact O-CB 3.42Å; P989-N993 VanDerWaalsContact O-CG 3.29Å; P989-N993 PolarHBondContact O-N 3.17Å; P989-N993 PolarHBondContact O-ND2 3.16Å; P989-Q1031 WeakPolarHBondContact CD-O 3.02Å; P989-V1033 WeakPolarHBondContact CD-O 3.16Å
990	L	94.5	Very high	88.5	Confident	10 Å²	10	30 Å²	30	5%	0.052	15%	0.154	C	C	.	.	H	α-helix	trans	-51.9	-44.3	173.4	-178.2	64.5	0	0	0	111.9	S988 L994 V1018 L1022 I1027 Q1031 L1032 L1114	S988-L990 PolarHBondContact O-N 2.68Å; S988-L990 VanDerWaalsContact O-N 3.13Å; L990-L994 WeakPolarHBondContact O-CB 3.36Å; L990-L994 PolarHBondContact O-N 3.49Å; L990-V1018 HydrophobicContact CD1-CG1 3.74Å; L990-L1022 HydrophobicContact CD2-CD1 4.27Å; L990-I1027 HydrophobicContact CD1-CD1 4.07Å; L990-I1027 HydrophobicContact CD1-CG1 4.48Å; L990-I1027 HydrophobicContact CD1-CG2 4.15Å; L990-I1027 HydrophobicContact CD2-CG2 4.37Å; L990-Q1031 HydrophobicContact CB-CB 4.06Å; L990-Q1031 WeakPolarHBondContact CB-O 3.48Å; L990-Q1031 PolarHBondContact N-O 2.91Å; L990-L1032 HydrophobicContact CB-CD2 4.47Å; L990-L1032 HydrophobicContact CD2-CD2 3.72Å; L990-L1114 HydrophobicContact CD2-CD1 4.15Å; L990-L1114 HydrophobicContact CD2-CD2 4.23Å; L990-L1114 HydrophobicContact CG-CD2 4.2Å
991	V	94.4	Very high	89	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.2	-49.7	-178.4	-171.3	0	0	0	0	109.9	E981 N987 S988 P989 N993 L994 I995 Q1113 L1114 P1117	E981-V991 HydrophobicContact CB-CG1 3.81Å; E981-V991 HydrophobicContact CG-CG1 3.94Å; N987-V991 HydrophobicContact CB-CB 3.96Å; N987-V991 HydrophobicContact CB-CG1 4.31Å; N987-V991 HydrophobicContact CB-CG2 3.93Å; S988-V991 WeakPolarHBondContact O-CB 3.18Å; S988-V991 PolarHBondContact O-N 3.47Å; P989-V991 PolarHBondContact O-N 2.91Å; V991-N993 PolarHBondContact O-N 3.46Å; V991-L994 PolarHBondContact O-N 3.09Å; V991-I995 HydrophobicContact CG1-CG1 4.3Å; V991-I995 WeakPolarHBondContact O-CB 3.5Å; V991-I995 WeakPolarHBondContact O-CG1 3.39Å; V991-I995 PolarHBondContact O-N 3.26Å; V991-Q1113 WeakPolarHBondContact CG1-O 3.39Å; V991-Q1113 HydrophobicContact CG2-CB 3.79Å; V991-Q1113 WeakPolarHBondContact CG2-O 3.36Å; V991-L1114 HydrophobicContact CB-CD2 4.42Å; V991-L1114 HydrophobicContact CG2-CD2 3.93Å; V991-P1117 HydrophobicContact CG1-CB 4Å; V991-P1117 HydrophobicContact CG1-CG 3.85Å
992	A	91.2	Very high	89.4	Confident	9 Å²	9	31 Å²	31	7%	0.074	16%	0.157	C	C	.	.	H	α-helix	trans	-60.9	-46.7	-179.7	0	0	0	0	0	111.4	P989 I995 N996	P989-A992 PolarHBondContact O-N 2.91Å; A992-I995 PolarHBondContact O-N 3.41Å; A992-N996 VanDerWaalsContact O-CB 3.24Å; A992-N996 WeakPolarHBondContact O-CB 3.4Å; A992-N996 PolarHBondContact O-N 3.32Å
993	N	92.9	Very high	90.2	Very high	83 Å²	83	29.8 Å²	29.8	44%	0.444	15%	0.15	S	C	.	.	H	α-helix	trans	-66	-43.4	-179.4	-70.9	-18.9	0	0	0	112.3	P989 V991 A997 Q1031	P989-N993 WeakPolarHBondContact O-CB 3.42Å; P989-N993 VanDerWaalsContact O-CG 3.29Å; P989-N993 PolarHBondContact O-N 3.17Å; P989-N993 PolarHBondContact O-ND2 3.16Å; V991-N993 PolarHBondContact O-N 3.46Å; N993-A997 VanDerWaalsContact O-CB 3.29Å; N993-A997 WeakPolarHBondContact O-CB 3.25Å; N993-A997 PolarHBondContact O-N 3.44Å; N993-Q1031 PolarHBondContact ND2-OE1 2.78Å
994	L	95.8	Very high	91.4	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-62.2	-50.6	176.8	173.8	58.8	0	0	0	111	L990 V991 N996 A997 C998 Y1014 A1015 V1018 L1114 L1118	L990-L994 WeakPolarHBondContact O-CB 3.36Å; L990-L994 PolarHBondContact O-N 3.49Å; V991-L994 PolarHBondContact O-N 3.09Å; L994-N996 VanDerWaalsContact C-N 3.33Å; L994-N996 PolarHBondContact O-N 2.95Å; L994-A997 PolarHBondContact O-N 3.45Å; L994-C998 WeakPolarHBondContact O-CB 3.44Å; L994-C998 PolarHBondContact O-N 3.33Å; L994-C998 PolarHBondContact O-SG 2.87Å; L994-C998 VanDerWaalsContact O-SG 3.33Å; L994-Y1014 HydrophobicContact CD1-CD1 3.9Å; L994-Y1014 HydrophobicContact CD1-CE1 3.83Å; L994-A1015 HydrophobicContact CD1-CB 4.15Å; L994-V1018 HydrophobicContact CD1-CB 4.1Å; L994-V1018 HydrophobicContact CD1-CG1 4.28Å; L994-V1018 HydrophobicContact CD1-CG2 4.08Å; L994-V1018 HydrophobicContact CD2-CG1 4.23Å; L994-L1114 HydrophobicContact CD2-CD1 4.44Å; L994-L1114 HydrophobicContact CD2-CD2 3.85Å; L994-L1118 HydrophobicContact CD2-CD1 4Å; L994-L1118 HydrophobicContact CD2-CD2 3.91Å; L994-L1118 HydrophobicContact CD2-CG 4.18Å; L994-L1118 HydrophobicContact CG-CD2 4.17Å
995	I	95.4	Very high	92.5	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-64.1	-41.2	-178.8	-62.7	-63.8	0	0	0	110.5	I980 E981 T982 V991 A992 A997 C998 L999 P1117 L1118 I1121	I980-I995 HydrophobicContact CG2-CG2 3.73Å; E981-I995 HydrophobicContact CB-CG1 4.46Å; T982-I995 HydrophobicContact CG2-CB 4Å; T982-I995 HydrophobicContact CG2-CG2 3.69Å; V991-I995 HydrophobicContact CG1-CG1 4.3Å; V991-I995 WeakPolarHBondContact O-CB 3.5Å; V991-I995 WeakPolarHBondContact O-CG1 3.39Å; V991-I995 PolarHBondContact O-N 3.26Å; A992-I995 PolarHBondContact O-N 3.41Å; I995-A997 PolarHBondContact O-N 3.07Å; I995-C998 PolarHBondContact O-N 2.79Å; I995-L999 HydrophobicContact CG2-CD1 3.89Å; I995-L999 HydrophobicContact CG2-CG 4.23Å; I995-L999 WeakPolarHBondContact O-CB 3.38Å; I995-L999 VanDerWaalsContact O-CG 3.29Å; I995-L999 WeakPolarHBondContact O-CG 3.32Å; I995-L999 PolarHBondContact O-N 3.34Å; I995-P1117 HydrophobicContact CD1-CB 3.77Å; I995-P1117 HydrophobicContact CG1-CB 3.99Å; I995-L1118 HydrophobicContact CD1-CD2 3.97Å; I995-L1118 HydrophobicContact CD1-CG 4.25Å; I995-I1121 HydrophobicContact CD1-CD1 3.78Å; I995-I1121 HydrophobicContact CD1-CG1 4.29Å; I995-I1121 HydrophobicContact CG2-CD1 4.48Å; I995-I1121 HydrophobicContact CG2-CG2 4.19Å
996	N	94.9	Very high	93.4	Very high	52 Å²	52	31.4 Å²	31.4	28%	0.278	16%	0.159	S	C	.	.	H	α-helix	trans	-60.3	-47.9	176.3	-168.6	67	0	0	0	111.5	M975 T982 A992 L994 C998 L999 E1000	M975-N996 WeakPolarHBondContact CE-OD1 3.32Å; T982-N996 HydrophobicContact CG2-CB 3.94Å; A992-N996 VanDerWaalsContact O-CB 3.24Å; A992-N996 WeakPolarHBondContact O-CB 3.4Å; A992-N996 PolarHBondContact O-N 3.32Å; L994-N996 VanDerWaalsContact C-N 3.33Å; L994-N996 PolarHBondContact O-N 2.95Å; N996-C998 VanDerWaalsContact C-N 3.33Å; N996-C998 PolarHBondContact O-N 2.86Å; N996-L999 PolarHBondContact O-N 2.7Å; N996-E1000 PolarHBondContact ND2-OE1 2.87Å; N996-E1000 WeakPolarHBondContact O-CG 3.27Å; N996-E1000 PolarHBondContact O-N 3.21Å
997	A	96.1	Very high	94.3	Very high	11 Å²	11	32 Å²	32	9%	0.091	16%	0.162	C	C	.	.	H	α-helix	trans	-65.4	-32.8	178.3	0	0	0	0	0	113.6	N993 L994 I995 R1001 Y1014	N993-A997 VanDerWaalsContact O-CB 3.29Å; N993-A997 WeakPolarHBondContact O-CB 3.25Å; N993-A997 PolarHBondContact O-N 3.44Å; L994-A997 PolarHBondContact O-N 3.45Å; I995-A997 PolarHBondContact O-N 3.07Å; A997-R1001 WeakPolarHBondContact O-CG 3.15Å; A997-R1001 PolarHBondContact O-N 3.49Å; A997-R1001 PolarHBondContact O-NH1 3.48Å; A997-Y1014 HydrophobicContact CB-CD1 3.96Å; A997-Y1014 HydrophobicContact CB-CE1 3.33Å
998	C	97.2	Very high	94.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-68.6	-44.5	171.2	-72	0	0	0	0	111.2	L994 I995 N996 R1001 I1002 A1011 I1121 F1122	L994-C998 WeakPolarHBondContact O-CB 3.44Å; L994-C998 PolarHBondContact O-N 3.33Å; L994-C998 PolarHBondContact O-SG 2.87Å; L994-C998 VanDerWaalsContact O-SG 3.33Å; I995-C998 PolarHBondContact O-N 2.79Å; N996-C998 VanDerWaalsContact C-N 3.33Å; N996-C998 PolarHBondContact O-N 2.86Å; C998-R1001 PolarHBondContact O-N 3.38Å; C998-I1002 WeakPolarHBondContact O-CB 3.33Å; C998-I1002 WeakPolarHBondContact O-CD1 3.4Å; C998-I1002 WeakPolarHBondContact O-CG1 3.39Å; C998-I1002 PolarHBondContact O-N 3.42Å; C998-A1011 HydrophobicContact CB-CB 4.25Å; C998-I1121 HydrophobicContact CB-CD1 3.68Å; C998-F1122 HydrophobicContact CB-CE2 4.44Å; C998-F1122 HydrophobicContact CB-CZ 4.45Å
999	L	96.6	Very high	94.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.6	-41.2	178.3	-72.8	173.9	0	0	0	112.2	L954 A962 M975 I980 T982 I995 N996 R1001 I1002 L1003 I1121	L954-L999 HydrophobicContact CD2-CD2 3.86Å; A962-L999 HydrophobicContact CB-CD1 4.11Å; A962-L999 HydrophobicContact CB-CD2 4.08Å; M975-L999 HydrophobicContact CE-CB 4.13Å; M975-L999 HydrophobicContact SD-CB 3.82Å; I980-L999 HydrophobicContact CG2-CD1 4.44Å; T982-L999 HydrophobicContact CG2-CD1 4.14Å; I995-L999 HydrophobicContact CG2-CD1 3.89Å; I995-L999 HydrophobicContact CG2-CG 4.23Å; I995-L999 WeakPolarHBondContact O-CB 3.38Å; I995-L999 VanDerWaalsContact O-CG 3.29Å; I995-L999 WeakPolarHBondContact O-CG 3.32Å; I995-L999 PolarHBondContact O-N 3.34Å; N996-L999 PolarHBondContact O-N 2.7Å; L999-R1001 VanDerWaalsContact C-N 3.31Å; L999-R1001 PolarHBondContact O-N 3.06Å; L999-I1002 PolarHBondContact O-N 2.77Å; L999-L1003 HydrophobicContact CB-CD1 4.3Å; L999-L1003 HydrophobicContact CD2-CD1 4.29Å; L999-L1003 VanDerWaalsContact O-CB 3.27Å; L999-L1003 WeakPolarHBondContact O-CB 3.42Å; L999-L1003 VanDerWaalsContact O-CG 3.3Å; L999-L1003 WeakPolarHBondContact O-CG 3.22Å; L999-L1003 PolarHBondContact O-N 3.05Å; L999-I1121 HydrophobicContact CD2-CG2 4.26Å
1000	E	96.4	Very high	95.1	Very high	77 Å²	77	38 Å²	38	36%	0.36	20%	0.198	S	C	.	.	H	α-helix	trans	-55.7	-47.4	173.7	-75.4	175.8	-176.1	0	0	111	M975 N996 I1002 I1004 D1005	M975-E1000 HydrophobicContact CE-CG 3.89Å; M975-E1000 HydrophobicContact SD-CG 4.15Å; N996-E1000 PolarHBondContact ND2-OE1 2.87Å; N996-E1000 WeakPolarHBondContact O-CG 3.27Å; N996-E1000 PolarHBondContact O-N 3.21Å; E1000-I1002 PolarHBondContact O-N 3.03Å; E1000-I1004 HydrophobicContact CB-CD1 4.34Å; E1000-I1004 HydrophobicContact CG-CD1 4.18Å; E1000-I1004 WeakPolarHBondContact O-CA 3.31Å; E1000-I1004 WeakPolarHBondContact O-CB 3.36Å; E1000-I1004 PolarHBondContact O-N 2.75Å; E1000-D1005 PolarHBondContact O-N 3.28Å; E1000-D1005 VanDerWaalsContact O-N 3.14Å
1001	R	97.2	Very high	95.2	Very high	29 Å²	29	37.5 Å²	37.5	11%	0.109	20%	0.195	C	C	.	.	H	α-helix	trans	-65.8	-37.1	178.2	-74.3	168.4	178.8	73.2	-7.1	113	A997 C998 L999 D1005 R1006 D1007 A1011	A997-R1001 WeakPolarHBondContact O-CG 3.15Å; A997-R1001 PolarHBondContact O-N 3.49Å; A997-R1001 PolarHBondContact O-NH1 3.48Å; C998-R1001 PolarHBondContact O-N 3.38Å; L999-R1001 VanDerWaalsContact C-N 3.31Å; L999-R1001 PolarHBondContact O-N 3.06Å; R1001-D1005 WeakPolarHBondContact CG-OD2 3.17Å; R1001-D1005 CarbonylContact O-C 3.43Å; R1001-D1005 WeakPolarHBondContact O-CB 3.42Å; R1001-R1006 PolarHBondContact O-N 3.44Å; R1001-D1007 PolarHBondContact O-N 3.13Å; R1001-A1011 HydrophobicContact CB-CB 3.87Å
1002	I	95.9	Very high	95.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-73.4	-45.2	179.4	-69.2	162.6	0	0	0	111.4	F732 C998 L999 E1000 R1006 A1011 F1122 I1125	F732-I1002 HydrophobicContact CE2-CG2 3.77Å; F732-I1002 HydrophobicContact CZ-CG2 3.97Å; C998-I1002 WeakPolarHBondContact O-CB 3.33Å; C998-I1002 WeakPolarHBondContact O-CD1 3.4Å; C998-I1002 WeakPolarHBondContact O-CG1 3.39Å; C998-I1002 PolarHBondContact O-N 3.42Å; L999-I1002 PolarHBondContact O-N 2.77Å; E1000-I1002 PolarHBondContact O-N 3.03Å; I1002-R1006 WeakPolarHBondContact O-CA 2.99Å; I1002-A1011 HydrophobicContact CD1-CB 4.1Å; I1002-A1011 HydrophobicContact CG1-CB 3.76Å; I1002-F1122 HydrophobicContact CD1-CE1 3.97Å; I1002-F1122 HydrophobicContact CD1-CZ 4.1Å; I1002-I1125 HydrophobicContact CD1-CD1 3.94Å; I1002-I1125 HydrophobicContact CG1-CD1 4.33Å; I1002-I1125 HydrophobicContact CG2-CD1 3.76Å
1003	L	96.1	Very high	95.5	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-92.4	-42.9	-168.6	-57.7	178.1	0	0	0	112.4	F732 P952 A962 L964 M975 L999 R1006	F732-L1003 HydrophobicContact CE2-CD2 3.85Å; P952-L1003 HydrophobicContact CB-CD2 4.42Å; P952-L1003 WeakPolarHBondContact CD-O 3.23Å; P952-L1003 HydrophobicContact CG-CB 4.18Å; P952-L1003 HydrophobicContact CG-CD2 3.71Å; A962-L1003 HydrophobicContact CB-CD1 3.98Å; L964-L1003 WeakPolarHBondContact CD1-O 3.38Å; L964-L1003 HydrophobicContact CD2-CB 4.19Å; L964-L1003 HydrophobicContact CG-CB 4.19Å; M975-L1003 HydrophobicContact CG-CD1 3.9Å; M975-L1003 HydrophobicContact SD-CD1 3.87Å; L999-L1003 HydrophobicContact CB-CD1 4.3Å; L999-L1003 HydrophobicContact CD2-CD1 4.29Å; L999-L1003 VanDerWaalsContact O-CB 3.27Å; L999-L1003 WeakPolarHBondContact O-CB 3.42Å; L999-L1003 VanDerWaalsContact O-CG 3.3Å; L999-L1003 WeakPolarHBondContact O-CG 3.22Å; L999-L1003 PolarHBondContact O-N 3.05Å; L1003-R1006 PolarHBondContact O-NE 2.95Å
1004	I	95.1	Very high	95.7	Very high	73 Å²	73	40.6 Å²	40.6	37%	0.374	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-59.5	-179.2	-55.3	173.5	0	0	0	109.9	L964 E1000 R1006	L964-I1004 HydrophobicContact CD1-CG1 4.39Å; L964-I1004 HydrophobicContact CD2-CD1 4.49Å; L964-I1004 HydrophobicContact CD2-CG1 3.7Å; E1000-I1004 HydrophobicContact CB-CD1 4.34Å; E1000-I1004 HydrophobicContact CG-CD1 4.18Å; E1000-I1004 WeakPolarHBondContact O-CA 3.31Å; E1000-I1004 WeakPolarHBondContact O-CB 3.36Å; E1000-I1004 PolarHBondContact O-N 2.75Å; I1004-R1006 PolarHBondContact O-N 3.08Å
1005	D	95.3	Very high	95.7	Very high	105 Å²	105	40.5 Å²	40.5	56%	0.561	21%	0.21	S	C	*	.	S	Bend	trans	-75.9	-12.9	-175.1	-53.9	-27.6	0	0	0	112.6	E1000 R1001 D1007	E1000-D1005 PolarHBondContact O-N 3.28Å; E1000-D1005 VanDerWaalsContact O-N 3.14Å; R1001-D1005 WeakPolarHBondContact CG-OD2 3.17Å; R1001-D1005 CarbonylContact O-C 3.43Å; R1001-D1005 WeakPolarHBondContact O-CB 3.42Å; D1005-D1007 PolarHBondContact O-N 3.45Å
1006	R	93.7	Very high	95.8	Very high	109 Å²	109	42.9 Å²	42.9	41%	0.411	22%	0.222	S	C	.	.			trans	55.2	32.1	-177.5	-56.9	-67.7	-172.4	134.2	5.7	113	N734 C951 P952 R1001 I1002 L1003 I1004 P1008	N734-R1006 PolarHBondContact OD1-NH1 2.92Å; C951-R1006 PolarHBondContact O-NH2 2.82Å; P952-R1006 VanDerWaalsContact CB-NH1 3.31Å; R1001-R1006 PolarHBondContact O-N 3.44Å; I1002-R1006 WeakPolarHBondContact O-CA 2.99Å; L1003-R1006 PolarHBondContact O-NE 2.95Å; I1004-R1006 PolarHBondContact O-N 3.08Å; R1006-P1008 WeakPolarHBondContact O-CD 3.45Å
1007	D	94.9	Very high	95.9	Very high	66 Å²	66	42.8 Å²	42.8	35%	0.353	23%	0.225	S	C	.	.			trans	-124.6	88.3	-178.9	-171.8	-7.8	0	0	0	112.2	R1001 D1005 N1009 A1010 A1011	R1001-D1007 PolarHBondContact O-N 3.13Å; D1005-D1007 PolarHBondContact O-N 3.45Å; D1007-N1009 PolarHBondContact O-N 3.48Å; D1007-N1009 WeakPolarHBondContact OD1-CA 3.24Å; D1007-N1009 WeakPolarHBondContact OD1-CB 3.4Å; D1007-N1009 PolarHBondContact OD1-N 3.44Å; D1007-A1010 HydrophobicContact CB-CB 3.96Å; D1007-A1010 VanDerWaalsContact CG-CB 3.46Å; D1007-A1010 PolarHBondContact O-N 2.95Å; D1007-A1010 PolarHBondContact OD1-N 3.33Å; D1007-A1010 VanDerWaalsContact OD2-CB 3.29Å; D1007-A1010 WeakPolarHBondContact OD2-CB 3.48Å; D1007-A1011 PolarHBondContact O-N 2.99Å
1008	P	93	Very high	95.9	Very high	31 Å²	31	42.7 Å²	42.7	20%	0.201	22%	0.223	C	C	.	.	H	α-helix	trans	-60.6	-27.7	173.4	-24.3	34.7	0	0	0	114	R1006 A1011 I1012 I1125	R1006-P1008 WeakPolarHBondContact O-CD 3.45Å; P1008-A1011 WeakPolarHBondContact O-CB 3.44Å; P1008-A1011 PolarHBondContact O-N 2.8Å; P1008-I1012 VanDerWaalsContact O-CG1 3.3Å; P1008-I1012 WeakPolarHBondContact O-CG1 3.35Å; P1008-I1012 PolarHBondContact O-N 3.02Å; P1008-I1125 HydrophobicContact CB-CG2 4.21Å; P1008-I1125 HydrophobicContact CG-CG2 4.23Å
1009	N	94.3	Very high	95.9	Very high	109 Å²	109	42.7 Å²	42.7	58%	0.583	22%	0.223	S	C	*	.	H	α-helix	trans	-74.4	-37.4	-179	-65.5	-46.6	0	0	0	111.4	D1007 A1011 I1012 S1013	D1007-N1009 PolarHBondContact O-N 3.48Å; D1007-N1009 WeakPolarHBondContact OD1-CA 3.24Å; D1007-N1009 WeakPolarHBondContact OD1-CB 3.4Å; D1007-N1009 PolarHBondContact OD1-N 3.44Å; N1009-A1011 VanDerWaalsContact C-N 3.27Å; N1009-A1011 PolarHBondContact O-N 2.9Å; N1009-I1012 PolarHBondContact O-N 3.48Å; N1009-S1013 PolarHBondContact O-N 3.21Å; N1009-S1013 PolarHBondContact O-OG 2.94Å
1010	A	96.3	Very high	95.8	Very high	30 Å²	30	44 Å²	44	25%	0.248	23%	0.232	C	C	.	.	H	α-helix	trans	-61.2	-38.5	169.6	0	0	0	0	0	111.5	D1007 S1013 Y1014	D1007-A1010 HydrophobicContact CB-CB 3.96Å; D1007-A1010 VanDerWaalsContact CG-CB 3.46Å; D1007-A1010 PolarHBondContact O-N 2.95Å; D1007-A1010 PolarHBondContact OD1-N 3.33Å; D1007-A1010 VanDerWaalsContact OD2-CB 3.29Å; D1007-A1010 WeakPolarHBondContact OD2-CB 3.48Å; A1010-S1013 PolarHBondContact O-N 3.27Å; A1010-Y1014 WeakPolarHBondContact O-CB 3.42Å; A1010-Y1014 PolarHBondContact O-N 2.94Å
1011	A	96	Very high	95.8	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.1	-41.5	176	0	0	0	0	0	112.4	C998 R1001 I1002 D1007 P1008 N1009 A1015 F1122	C998-A1011 HydrophobicContact CB-CB 4.25Å; R1001-A1011 HydrophobicContact CB-CB 3.87Å; I1002-A1011 HydrophobicContact CD1-CB 4.1Å; I1002-A1011 HydrophobicContact CG1-CB 3.76Å; D1007-A1011 PolarHBondContact O-N 2.99Å; P1008-A1011 WeakPolarHBondContact O-CB 3.44Å; P1008-A1011 PolarHBondContact O-N 2.8Å; N1009-A1011 VanDerWaalsContact C-N 3.27Å; N1009-A1011 PolarHBondContact O-N 2.9Å; A1011-A1015 PolarHBondContact O-N 3.44Å; A1011-F1122 HydrophobicContact CB-CE1 4.06Å; A1011-F1122 HydrophobicContact CB-CZ 3.7Å
1012	I	96.2	Very high	95.7	Very high	13 Å²	13	40.6 Å²	40.6	7%	0.067	22%	0.219	C	C	.	.	H	α-helix	trans	-60.6	-51.7	173.8	-69.4	165.3	0	0	0	110.5	P1008 N1009 Y1014 A1015 Q1016 F1122 L1126 V1134 L1135	P1008-I1012 VanDerWaalsContact O-CG1 3.3Å; P1008-I1012 WeakPolarHBondContact O-CG1 3.35Å; P1008-I1012 PolarHBondContact O-N 3.02Å; N1009-I1012 PolarHBondContact O-N 3.48Å; I1012-Y1014 VanDerWaalsContact C-N 3.26Å; I1012-Y1014 PolarHBondContact O-N 2.84Å; I1012-A1015 PolarHBondContact O-N 3.39Å; I1012-A1015 VanDerWaalsContact O-N 3.08Å; I1012-Q1016 HydrophobicContact CG2-CG 4.3Å; I1012-Q1016 WeakPolarHBondContact O-CG 3.43Å; I1012-Q1016 PolarHBondContact O-N 3.17Å; I1012-F1122 HydrophobicContact CD1-CE1 4.48Å; I1012-F1122 HydrophobicContact CG1-CD1 4.11Å; I1012-F1122 HydrophobicContact CG1-CE1 3.57Å; I1012-F1122 HydrophobicContact CG1-CZ 4.06Å; I1012-L1126 HydrophobicContact CD1-CD1 3.65Å; I1012-L1126 HydrophobicContact CD1-CD2 4.4Å; I1012-L1126 HydrophobicContact CG1-CD1 4.25Å; I1012-V1134 HydrophobicContact CD1-CG1 4.41Å; I1012-V1134 HydrophobicContact CG2-CG1 3.43Å; I1012-V1134 VanDerWaalsContact CG2-CG1 3.43Å; I1012-L1135 HydrophobicContact CB-CD2 4.48Å; I1012-L1135 HydrophobicContact CG1-CD2 4.36Å; I1012-L1135 HydrophobicContact CG2-CD2 4.24Å
1013	S	96.4	Very high	95.6	Very high	69 Å²	69	41.3 Å²	41.3	48%	0.483	22%	0.222	S	C	.	.	H	α-helix	trans	-59.9	-39.6	-176.9	-55.7	0	0	0	0	111.3	N1009 A1010 Q1016 S1017	N1009-S1013 PolarHBondContact O-N 3.21Å; N1009-S1013 PolarHBondContact O-OG 2.94Å; A1010-S1013 PolarHBondContact O-N 3.27Å; S1013-Q1016 PolarHBondContact O-N 2.79Å; S1013-S1017 PolarHBondContact O-N 2.87Å
1014	Y	97	Very high	95.5	Very high	75 Å²	75	42.7 Å²	42.7	29%	0.294	23%	0.232	S	C	.	.	H	α-helix	trans	-66.1	-42.9	174.1	-177.3	-104.3	0	0	0	112.7	L994 A997 A1010 I1012 Q1016 S1017 V1018	L994-Y1014 HydrophobicContact CD1-CD1 3.9Å; L994-Y1014 HydrophobicContact CD1-CE1 3.83Å; A997-Y1014 HydrophobicContact CB-CD1 3.96Å; A997-Y1014 HydrophobicContact CB-CE1 3.33Å; A1010-Y1014 WeakPolarHBondContact O-CB 3.42Å; A1010-Y1014 PolarHBondContact O-N 2.94Å; I1012-Y1014 VanDerWaalsContact C-N 3.26Å; I1012-Y1014 PolarHBondContact O-N 2.84Å; Y1014-Q1016 VanDerWaalsContact C-N 3.32Å; Y1014-Q1016 PolarHBondContact O-N 2.88Å; Y1014-S1017 PolarHBondContact O-N 3.15Å; Y1014-S1017 PolarHBondContact O-OG 3Å; Y1014-V1018 HydrophobicContact CD1-CG2 4.43Å; Y1014-V1018 HydrophobicContact CE1-CG2 3.97Å; Y1014-V1018 HydrophobicContact CE2-CG2 4.21Å; Y1014-V1018 WeakPolarHBondContact O-CG2 3.3Å; Y1014-V1018 PolarHBondContact O-N 3.48Å
1015	A	96.6	Very high	95.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62	-41.4	175.4	0	0	0	0	0	111.9	L994 A1011 I1012 S1017 V1018 I1019 L1118 L1135	L994-A1015 HydrophobicContact CD1-CB 4.15Å; A1011-A1015 PolarHBondContact O-N 3.44Å; I1012-A1015 PolarHBondContact O-N 3.39Å; I1012-A1015 VanDerWaalsContact O-N 3.08Å; A1015-S1017 PolarHBondContact O-N 2.78Å; A1015-V1018 PolarHBondContact O-N 2.7Å; A1015-I1019 VanDerWaalsContact O-CG1 3.26Å; A1015-I1019 WeakPolarHBondContact O-CG1 3.44Å; A1015-I1019 PolarHBondContact O-N 2.71Å; A1015-L1118 HydrophobicContact CB-CD2 3.97Å; A1015-L1135 HydrophobicContact CB-CD2 3.89Å
1016	Q	96.8	Very high	94.9	Very high	51 Å²	51	43.4 Å²	43.4	24%	0.238	23%	0.226	C	C	.	.	H	α-helix	trans	-62	-41.9	175.9	-69.1	177	-26.5	0	0	112.2	I1012 S1013 Y1014 I1019 S1020 V1134 H1140	I1012-Q1016 HydrophobicContact CG2-CG 4.3Å; I1012-Q1016 WeakPolarHBondContact O-CG 3.43Å; I1012-Q1016 PolarHBondContact O-N 3.17Å; S1013-Q1016 PolarHBondContact O-N 2.79Å; Y1014-Q1016 VanDerWaalsContact C-N 3.32Å; Y1014-Q1016 PolarHBondContact O-N 2.88Å; Q1016-I1019 PolarHBondContact O-N 2.92Å; Q1016-S1020 PolarHBondContact O-N 3.08Å; Q1016-V1134 PolarHBondContact NE2-O 2.94Å; Q1016-H1140 HydrophobicContact CB-CB 4.21Å
1017	S	96.4	Very high	94.8	Very high	50 Å²	50	39.3 Å²	39.3	35%	0.35	21%	0.212	S	C	.	.	H	α-helix	trans	-64.1	-43.6	177.3	73	0	0	0	0	111.7	S1013 Y1014 A1015 I1019 S1020 D1021	S1013-S1017 PolarHBondContact O-N 2.87Å; Y1014-S1017 PolarHBondContact O-N 3.15Å; Y1014-S1017 PolarHBondContact O-OG 3Å; A1015-S1017 PolarHBondContact O-N 2.78Å; S1017-I1019 PolarHBondContact O-N 3.4Å; S1017-S1020 WeakPolarHBondContact O-CB 3.4Å; S1017-S1020 PolarHBondContact O-N 3.31Å; S1017-D1021 PolarHBondContact O-N 2.87Å
1018	V	96.6	Very high	94.5	Very high	10 Å²	10	37.3 Å²	37.3	6%	0.061	20%	0.201	C	C	.	.	H	α-helix	trans	-64.5	-38.7	177.4	173.5	0	0	0	0	111.8	L990 L994 Y1014 A1015 D1021 L1022 I1027	L990-V1018 HydrophobicContact CD1-CG1 3.74Å; L994-V1018 HydrophobicContact CD1-CB 4.1Å; L994-V1018 HydrophobicContact CD1-CG1 4.28Å; L994-V1018 HydrophobicContact CD1-CG2 4.08Å; L994-V1018 HydrophobicContact CD2-CG1 4.23Å; Y1014-V1018 HydrophobicContact CD1-CG2 4.43Å; Y1014-V1018 HydrophobicContact CE1-CG2 3.97Å; Y1014-V1018 HydrophobicContact CE2-CG2 4.21Å; Y1014-V1018 WeakPolarHBondContact O-CG2 3.3Å; Y1014-V1018 PolarHBondContact O-N 3.48Å; A1015-V1018 PolarHBondContact O-N 2.7Å; V1018-D1021 PolarHBondContact O-N 3.44Å; V1018-L1022 WeakPolarHBondContact O-CB 3.42Å; V1018-L1022 PolarHBondContact O-N 2.82Å; V1018-I1027 HydrophobicContact CG1-CD1 4.39Å
1019	I	96.4	Very high	94.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.1	-43.9	174	-70.7	166.7	0	0	0	110.7	A1015 Q1016 S1017 D1021 L1022 L1023 L1110 L1114 L1118 L1135 L1136 T1141	A1015-I1019 VanDerWaalsContact O-CG1 3.26Å; A1015-I1019 WeakPolarHBondContact O-CG1 3.44Å; A1015-I1019 PolarHBondContact O-N 2.71Å; Q1016-I1019 PolarHBondContact O-N 2.92Å; S1017-I1019 PolarHBondContact O-N 3.4Å; I1019-D1021 VanDerWaalsContact C-N 3.32Å; I1019-D1021 PolarHBondContact O-N 3.11Å; I1019-L1022 PolarHBondContact O-N 3.43Å; I1019-L1023 HydrophobicContact CG2-CD1 3.96Å; I1019-L1023 HydrophobicContact CG2-CG 4.44Å; I1019-L1023 VanDerWaalsContact O-CG 3.31Å; I1019-L1023 WeakPolarHBondContact O-CG 3.47Å; I1019-L1023 PolarHBondContact O-N 3.23Å; I1019-L1110 HydrophobicContact CD1-CD1 4.1Å; I1019-L1110 HydrophobicContact CG1-CD1 3.99Å; I1019-L1110 HydrophobicContact CG2-CD1 3.93Å; I1019-L1110 HydrophobicContact CG2-CD2 4.46Å; I1019-L1114 HydrophobicContact CG1-CD1 4.45Å; I1019-L1118 HydrophobicContact CD1-CD1 4.09Å; I1019-L1135 VanDerWaalsContact CD1-O 3.24Å; I1019-L1135 WeakPolarHBondContact CD1-O 3.33Å; I1019-L1136 HydrophobicContact CD1-CD2 4.49Å; I1019-T1141 HydrophobicContact CG2-CG2 3.96Å
1020	S	96.1	Very high	94.1	Very high	26 Å²	26	31.7 Å²	31.7	18%	0.182	17%	0.17	C	C	.	.	H	α-helix	trans	-60.5	-42.2	174.6	-178.9	0	0	0	0	111.6	Q1016 S1017 L1023 C1024 R1026 H1140	Q1016-S1020 PolarHBondContact O-N 3.08Å; S1017-S1020 WeakPolarHBondContact O-CB 3.4Å; S1017-S1020 PolarHBondContact O-N 3.31Å; S1020-L1023 PolarHBondContact O-N 2.78Å; S1020-C1024 VanDerWaalsContact O-CB 3.23Å; S1020-C1024 WeakPolarHBondContact O-CB 2.98Å; S1020-C1024 PolarHBondContact O-N 2.75Å; S1020-C1024 PolarHBondContact O-SG 3Å; S1020-C1024 VanDerWaalsContact O-SG 3.36Å; S1020-R1026 PolarHBondContact OG-NH2 2.84Å; S1020-R1026 VanDerWaalsContact OG-NH2 3.15Å; S1020-H1140 WeakPolarHBondContact CA-O 3.19Å
1021	D	95.7	Very high	93.9	Very high	35 Å²	35	32.3 Å²	32.3	19%	0.187	17%	0.168	C	C	.	.	H	α-helix	trans	-64.6	-39.5	176.6	-71.6	-20.8	0	0	0	112.6	S1017 V1018 I1019 C1024 N1025 R1026 I1027	S1017-D1021 PolarHBondContact O-N 2.87Å; V1018-D1021 PolarHBondContact O-N 3.44Å; I1019-D1021 VanDerWaalsContact C-N 3.32Å; I1019-D1021 PolarHBondContact O-N 3.11Å; D1021-C1024 PolarHBondContact O-N 2.65Å; D1021-N1025 PolarHBondContact O-N 2.89Å; D1021-R1026 HydrophobicContact CB-CB 4.03Å; D1021-R1026 PolarHBondContact O-N 3.07Å; D1021-R1026 IonicContact OD1-CZ 3.65Å; D1021-R1026 IonicContact OD1-NE 3.06Å; D1021-R1026 PolarHBondContact OD1-NE 2.9Å; D1021-R1026 IonicContact OD1-NH1 3.07Å; D1021-R1026 IonicContact OD1-NH2 2.58Å; D1021-R1026 PolarHBondContact OD1-NH2 2.81Å; D1021-I1027 HydrophobicContact CB-CD1 3.67Å; D1021-I1027 HydrophobicContact CB-CG1 4.04Å
1022	L	95.7	Very high	93.8	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-61.1	-51.7	174.3	174.2	66.2	0	0	0	110.6	L990 V1018 I1019 C1024 N1025 I1027 L1032 T1106 L1110 L1114	L990-L1022 HydrophobicContact CD2-CD1 4.27Å; V1018-L1022 WeakPolarHBondContact O-CB 3.42Å; V1018-L1022 PolarHBondContact O-N 2.82Å; I1019-L1022 PolarHBondContact O-N 3.43Å; L1022-C1024 VanDerWaalsContact C-N 3.27Å; L1022-C1024 PolarHBondContact O-N 2.89Å; L1022-N1025 PolarHBondContact O-N 3.25Å; L1022-N1025 VanDerWaalsContact O-N 3.13Å; L1022-I1027 HydrophobicContact CB-CG1 4.09Å; L1022-L1032 HydrophobicContact CD1-CD2 3.85Å; L1022-T1106 HydrophobicContact CD1-CG2 4.42Å; L1022-T1106 WeakPolarHBondContact O-CG2 3.48Å; L1022-L1110 HydrophobicContact CD2-CB 4.37Å; L1022-L1114 HydrophobicContact CD2-CD1 3.63Å
1023	L	94.3	Very high	93.6	Very high	14 Å²	14	32.9 Å²	32.9	7%	0.073	17%	0.172	C	C	.	.	H	α-helix	trans	-65.5	-31.7	-177.9	-66.7	174	0	0	0	112.5	I1019 S1020 N1025 L1110 T1141 K1144 A1145	I1019-L1023 HydrophobicContact CG2-CD1 3.96Å; I1019-L1023 HydrophobicContact CG2-CG 4.44Å; I1019-L1023 VanDerWaalsContact O-CG 3.31Å; I1019-L1023 WeakPolarHBondContact O-CG 3.47Å; I1019-L1023 PolarHBondContact O-N 3.23Å; S1020-L1023 PolarHBondContact O-N 2.78Å; L1023-N1025 VanDerWaalsContact C-N 3.32Å; L1023-L1110 HydrophobicContact CD2-CD2 4.36Å; L1023-T1141 HydrophobicContact CD1-CG2 4.25Å; L1023-K1144 HydrophobicContact CB-CB 4.41Å; L1023-K1144 CarbonylContact O-C 3.48Å; L1023-K1144 VanDerWaalsContact O-CA 3.31Å; L1023-K1144 WeakPolarHBondContact O-CA 3.4Å; L1023-A1145 PolarHBondContact O-N 2.82Å
1024	C	92.2	Very high	93.4	Very high	29 Å²	29	29.7 Å²	29.7	20%	0.196	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	9.1	176.1	-68.9	0	0	0	0	114.1	S1020 D1021 L1022 R1026 A1145	S1020-C1024 VanDerWaalsContact O-CB 3.23Å; S1020-C1024 WeakPolarHBondContact O-CB 2.98Å; S1020-C1024 PolarHBondContact O-N 2.75Å; S1020-C1024 PolarHBondContact O-SG 3Å; S1020-C1024 VanDerWaalsContact O-SG 3.36Å; D1021-C1024 PolarHBondContact O-N 2.65Å; L1022-C1024 VanDerWaalsContact C-N 3.27Å; L1022-C1024 PolarHBondContact O-N 2.89Å; C1024-R1026 HydrophobicContact CB-CG 4.15Å; C1024-R1026 PolarHBondContact O-N 2.8Å; C1024-A1145 WeakPolarHBondContact O-CB 3.24Å
1025	N	88.7	Confident	92.9	Very high	55 Å²	55	27 Å²	27	29%	0.294	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	32.7	-179.6	-165.6	45.4	0	0	0	114	D1021 L1022 L1023 A1145	D1021-N1025 PolarHBondContact O-N 2.89Å; L1022-N1025 PolarHBondContact O-N 3.25Å; L1022-N1025 VanDerWaalsContact O-N 3.13Å; L1023-N1025 VanDerWaalsContact C-N 3.32Å; N1025-A1145 HydrophobicContact CB-CB 3.98Å
1026	R	89.4	Confident	92.5	Very high	138 Å²	138	30.6 Å²	30.6	52%	0.521	16%	0.157	S	C	.	.			trans	-93.8	-13.5	178.1	-67.4	-175.5	-75.4	-174.7	-1.4	113.3	S1020 D1021 C1024	S1020-R1026 PolarHBondContact OG-NH2 2.84Å; S1020-R1026 VanDerWaalsContact OG-NH2 3.15Å; D1021-R1026 HydrophobicContact CB-CB 4.03Å; D1021-R1026 PolarHBondContact O-N 3.07Å; D1021-R1026 IonicContact OD1-CZ 3.65Å; D1021-R1026 IonicContact OD1-NE 3.06Å; D1021-R1026 PolarHBondContact OD1-NE 2.9Å; D1021-R1026 IonicContact OD1-NH1 3.07Å; D1021-R1026 IonicContact OD1-NH2 2.58Å; D1021-R1026 PolarHBondContact OD1-NH2 2.81Å; C1024-R1026 HydrophobicContact CB-CG 4.15Å; C1024-R1026 PolarHBondContact O-N 2.8Å
1027	I	91.6	Very high	92	Very high	24 Å²	24	30.9 Å²	30.9	12%	0.123	16%	0.159	C	C	.	.	S	Bend	trans	-72.6	137.1	173.6	-60.1	-61.6	0	0	0	110.2	L990 V1018 D1021 L1022 Q1031 L1032	L990-I1027 HydrophobicContact CD1-CD1 4.07Å; L990-I1027 HydrophobicContact CD1-CG1 4.48Å; L990-I1027 HydrophobicContact CD1-CG2 4.15Å; L990-I1027 HydrophobicContact CD2-CG2 4.37Å; V1018-I1027 HydrophobicContact CG1-CD1 4.39Å; D1021-I1027 HydrophobicContact CB-CD1 3.67Å; D1021-I1027 HydrophobicContact CB-CG1 4.04Å; L1022-I1027 HydrophobicContact CB-CG1 4.09Å; I1027-Q1031 HydrophobicContact CG2-CB 3.76Å; I1027-Q1031 HydrophobicContact CG2-CG 4.39Å; I1027-L1032 HydrophobicContact CG2-CD1 4.46Å; I1027-L1032 HydrophobicContact CG2-CD2 3.89Å; I1027-L1032 HydrophobicContact CG2-CG 4.05Å
1028	D	89.3	Confident	91.5	Very high	23 Å²	23	28.7 Å²	28.7	12%	0.123	14%	0.143	C	C	.	.			trans	-67.2	140.1	174	-177.5	64.8	0	0	0	111.4	S1030 Q1031 M1236	D1028-S1030 PolarHBondContact O-N 2.83Å; D1028-S1030 WeakPolarHBondContact OD2-CB 3.47Å; D1028-S1030 PolarHBondContact OD2-N 3.06Å; D1028-S1030 PolarHBondContact OD2-OG 2.98Å; D1028-Q1031 HydrophobicContact CB-CG 4.48Å; D1028-Q1031 WeakPolarHBondContact O-CB 3.28Å; D1028-Q1031 PolarHBondContact O-N 3.24Å; D1028-M1236 HydrophobicContact CB-CE 4.07Å; D1028-M1236 WeakPolarHBondContact OD1-CG 3.22Å
1029	I	90.4	Very high	90.9	Very high	11 Å²	11	31.4 Å²	31.4	6%	0.056	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-63	-28.9	-174.3	-164.3	172.8	0	0	0	112.4	Q1031 L1032 V1033 V1076 P1094 V1097 L1098 I1104 Y1235	I1029-Q1031 PolarHBondContact O-N 2.88Å; I1029-L1032 WeakPolarHBondContact O-CA 3.34Å; I1029-L1032 WeakPolarHBondContact O-CB 3.43Å; I1029-L1032 PolarHBondContact O-N 2.67Å; I1029-V1033 WeakPolarHBondContact O-CG2 3.21Å; I1029-V1033 PolarHBondContact O-N 3.37Å; I1029-V1076 HydrophobicContact CD1-CG1 4.38Å; I1029-V1076 HydrophobicContact CD1-CG2 4.46Å; I1029-V1076 HydrophobicContact CG1-CG1 4.01Å; I1029-P1094 HydrophobicContact CD1-CB 4.21Å; I1029-P1094 WeakPolarHBondContact CD1-O 3.31Å; I1029-V1097 HydrophobicContact CD1-CB 4.16Å; I1029-V1097 HydrophobicContact CD1-CG1 3.78Å; I1029-L1098 HydrophobicContact CB-CD2 4.39Å; I1029-L1098 HydrophobicContact CD1-CD2 4.13Å; I1029-L1098 HydrophobicContact CD1-CG 3.95Å; I1029-L1098 HydrophobicContact CG2-CD1 3.82Å; I1029-L1098 HydrophobicContact CG2-CD2 3.94Å; I1029-L1098 HydrophobicContact CG2-CG 3.98Å; I1029-I1104 HydrophobicContact CD1-CD1 4.45Å; I1029-Y1235 HydrophobicContact CG2-CD1 3.82Å; I1029-Y1235 HydrophobicContact CG2-CG 3.97Å
1030	S	88.3	Confident	90.2	Very high	11 Å²	11	35.4 Å²	35.4	8%	0.077	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-58.8	-30	176.3	70.7	0	0	0	0	112.3	D1028 L1032	D1028-S1030 PolarHBondContact O-N 2.83Å; D1028-S1030 WeakPolarHBondContact OD2-CB 3.47Å; D1028-S1030 PolarHBondContact OD2-N 3.06Å; D1028-S1030 PolarHBondContact OD2-OG 2.98Å; S1030-L1032 PolarHBondContact O-N 2.91Å
1031	Q	91.8	Very high	89.3	Confident	44 Å²	44	36.4 Å²	36.4	21%	0.206	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-75.1	-15.7	177.4	-59.3	-62.7	-55.4	0	0	112.8	S988 P989 L990 N993 I1027 D1028 I1029	S988-Q1031 WeakPolarHBondContact CB-O 3.31Å; S988-Q1031 PolarHBondContact OG-O 2.61Å; P989-Q1031 WeakPolarHBondContact CD-O 3.02Å; L990-Q1031 HydrophobicContact CB-CB 4.06Å; L990-Q1031 WeakPolarHBondContact CB-O 3.48Å; L990-Q1031 PolarHBondContact N-O 2.91Å; N993-Q1031 PolarHBondContact ND2-OE1 2.78Å; I1027-Q1031 HydrophobicContact CG2-CB 3.76Å; I1027-Q1031 HydrophobicContact CG2-CG 4.39Å; D1028-Q1031 HydrophobicContact CB-CG 4.48Å; D1028-Q1031 WeakPolarHBondContact O-CB 3.28Å; D1028-Q1031 PolarHBondContact O-N 3.24Å; I1029-Q1031 PolarHBondContact O-N 2.88Å
1032	L	94.3	Very high	88.3	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.021	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-100.5	-7.3	-178.2	-54.9	-179.7	0	0	0	112.4	L990 L1022 I1027 I1029 S1030 I1034 V1076 I1104 Y1109	L990-L1032 HydrophobicContact CB-CD2 4.47Å; L990-L1032 HydrophobicContact CD2-CD2 3.72Å; L1022-L1032 HydrophobicContact CD1-CD2 3.85Å; I1027-L1032 HydrophobicContact CG2-CD1 4.46Å; I1027-L1032 HydrophobicContact CG2-CD2 3.89Å; I1027-L1032 HydrophobicContact CG2-CG 4.05Å; I1029-L1032 WeakPolarHBondContact O-CA 3.34Å; I1029-L1032 WeakPolarHBondContact O-CB 3.43Å; I1029-L1032 PolarHBondContact O-N 2.67Å; S1030-L1032 PolarHBondContact O-N 2.91Å; L1032-I1034 PolarHBondContact O-N 3.23Å; L1032-V1076 HydrophobicContact CB-CG1 4.27Å; L1032-I1104 HydrophobicContact CD1-CG1 4.46Å; L1032-I1104 HydrophobicContact CD1-CG2 4.08Å; L1032-Y1109 HydrophobicContact CB-CE1 3.89Å; L1032-Y1109 HydrophobicContact CD2-CD1 4Å; L1032-Y1109 HydrophobicContact CD2-CE1 4.15Å; L1032-Y1109 HydrophobicContact CD2-CG 4.32Å; L1032-Y1109 WeakPolarHBondContact O-CE1 3.45Å; L1032-Y1109 VanDerWaalsContact O-CZ 3.29Å; L1032-Y1109 PolarHBondContact O-OH 2.91Å
1033	V	91.7	Very high	87.2	Confident	21 Å²	21	47.2 Å²	47.2	13%	0.127	23%	0.234	C	C	.	.			trans	-67	119.4	179.8	-178.6	0	0	0	0	110.5	S988 P989 I1029 P1074 V1076 P1094	S988-V1033 WeakPolarHBondContact CA-O 3.29Å; P989-V1033 WeakPolarHBondContact CD-O 3.16Å; I1029-V1033 WeakPolarHBondContact O-CG2 3.21Å; I1029-V1033 PolarHBondContact O-N 3.37Å; V1033-P1074 HydrophobicContact CG1-CB 3.53Å; V1033-V1076 HydrophobicContact CG2-CG1 4.26Å; V1033-P1094 HydrophobicContact CG1-CG 4.23Å; V1033-P1094 HydrophobicContact CG2-CB 4.07Å; V1033-P1094 HydrophobicContact CG2-CG 3.7Å
1034	I	91.7	Very high	86.5	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	145.5	168.8	-60.6	169.2	0	0	0	107.5	D986 L1032 P1074 Y1075 I1077 Y1108 Y1109 Q1113	D986-I1034 WeakPolarHBondContact O-CG2 3.24Å; L1032-I1034 PolarHBondContact O-N 3.23Å; I1034-P1074 CarbonylContact O-C 3.49Å; I1034-P1074 WeakPolarHBondContact O-CA 3.45Å; I1034-Y1075 HydrophobicContact CB-CD2 4.32Å; I1034-Y1075 HydrophobicContact CB-CE1 4.27Å; I1034-Y1075 HydrophobicContact CB-CE2 3.9Å; I1034-Y1075 HydrophobicContact CD1-CE2 4.31Å; I1034-Y1075 HydrophobicContact CG2-CE1 3.9Å; I1034-Y1075 HydrophobicContact CG2-CE2 3.97Å; I1034-Y1075 VanDerWaalsContact CG2-CZ 3.47Å; I1034-Y1075 WeakPolarHBondContact CG2-OH 3.49Å; I1034-Y1075 PolarHBondContact N-O 2.89Å; I1034-Y1075 WeakPolarHBondContact O-CD1 3.47Å; I1034-Y1075 PolarHBondContact O-N 3.16Å; I1034-I1077 HydrophobicContact CD1-CG1 4.48Å; I1034-Y1108 HydrophobicContact CD1-CE1 3.95Å; I1034-Y1109 HydrophobicContact CD1-CE1 4.18Å; I1034-Y1109 HydrophobicContact CG1-CE1 4.43Å; I1034-Q1113 HydrophobicContact CD1-CG 4.4Å
1035	S	87.7	Confident	85.9	Confident	18 Å²	18	50.3 Å²	50.3	13%	0.126	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	135.1	-178.8	178.7	0	0	0	0	110.6	R1072 V1073	S1035-R1072 PolarHBondContact O-NH2 2.83Å; S1035-R1072 VanDerWaalsContact OG-CB 3.31Å; S1035-R1072 WeakPolarHBondContact OG-CB 3.47Å; S1035-R1072 PolarHBondContact OG-NE 2.95Å; S1035-V1073 WeakPolarHBondContact CA-O 3.17Å
1036	K	88.3	Confident	85.3	Confident	75 Å²	75	54.8 Å²	54.8	33%	0.326	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	144.8	176.5	-72.4	-167.4	176.7	-172.1	0	111.1	H1051 R1072 V1073 Y1075	K1036-H1051 HydrophobicContact CB-CB 3.99Å; K1036-R1072 CarbonylContact O-C 3.55Å; K1036-R1072 WeakPolarHBondContact O-CA 3.29Å; K1036-V1073 PolarHBondContact N-O 3.26Å; K1036-V1073 PolarHBondContact O-N 2.87Å; K1036-Y1075 HydrophobicContact CB-CE1 4.32Å; K1036-Y1075 HydrophobicContact CG-CE1 4.25Å
1037	E	85.6	Confident	84.9	Confident	58 Å²	58	50.1 Å²	50.1	27%	0.271	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	136.8	-178.3	-171.4	175.4	171.9	0	0	112.2	R583 T1039 H1051 D1071 R1072	R583-E1037 IonicContact CZ-OE1 3.77Å; R583-E1037 IonicContact NH2-OE1 3.6Å; R583-E1037 PolarHBondContact NH2-OE1 3.3Å; E1037-T1039 HydrophobicContact CB-CG2 4.24Å; E1037-T1039 HydrophobicContact CG-CG2 4.15Å; E1037-T1039 PolarHBondContact O-N 2.92Å; E1037-H1051 PolarHBondContact O-NE2 3.42Å; E1037-D1071 CarbonylContact C-O 3.46Å; E1037-D1071 WeakPolarHBondContact CA-O 3.11Å; E1037-R1072 HydrophobicContact CB-CG 4.13Å
1038	L	85.8	Confident	84.7	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.021	29%	0.288	C	S	.	.			trans	-74.8	102.1	166.5	-70.9	171.2	0	0	0	109.1	V1052 A1055 P1067 N1068 G1070 D1071 V1073	L1038-V1052 HydrophobicContact CD2-CG2 4.09Å; L1038-A1055 HydrophobicContact CD1-CB 3.98Å; L1038-A1055 HydrophobicContact CD2-CB 4.16Å; L1038-P1067 HydrophobicContact CD1-CB 3.87Å; L1038-P1067 HydrophobicContact CD1-CG 3.92Å; L1038-N1068 WeakPolarHBondContact CD1-O 3.24Å; L1038-G1070 WeakPolarHBondContact O-CA 3.39Å; L1038-G1070 PolarHBondContact O-N 3.05Å; L1038-D1071 PolarHBondContact N-O 2.97Å; L1038-V1073 HydrophobicContact CD1-CG2 3.83Å; L1038-V1073 HydrophobicContact CD2-CG2 4.27Å; L1038-V1073 HydrophobicContact CG-CG2 3.73Å
1039	T	83.9	Confident	84.7	Confident	66 Å²	66	57.2 Å²	57.2	41%	0.405	30%	0.298	S	S	.	.			trans	-98.7	-15.2	-174	50.5	0	0	0	0	113.7	E1037 Y1045	E1037-T1039 HydrophobicContact CB-CG2 4.24Å; E1037-T1039 HydrophobicContact CG-CG2 4.15Å; E1037-T1039 PolarHBondContact O-N 2.92Å; T1039-Y1045 PolarHBondContact N-OH 3.32Å; T1039-Y1045 PolarHBondContact OG1-OH 3.29Å
1040	K	82.3	Confident	84.8	Confident	84 Å²	84	57.2 Å²	57.2	37%	0.365	30%	0.3	S	S	.	.	S	Bend	trans	-135.6	162.6	-177.8	-54.6	-176.1	178.6	-174.9	0	110.6	E1044 Y1045 L1069	K1040-E1044 HydrophobicContact CB-CB 3.92Å; K1040-E1044 HydrophobicContact CD-CB 4.1Å; K1040-Y1045 HydrophobicContact CB-CD2 3.93Å; K1040-Y1045 HydrophobicContact CB-CE1 4.44Å; K1040-Y1045 HydrophobicContact CB-CE2 3.64Å; K1040-Y1045 HydrophobicContact CB-CG 4.46Å; K1040-Y1045 HydrophobicContact CD-CD1 4.42Å; K1040-Y1045 HydrophobicContact CG-CE1 4.5Å; K1040-Y1045 PolarHBondContact N-OH 2.93Å; K1040-Y1045 VanDerWaalsContact O-CE2 3.29Å; K1040-Y1045 WeakPolarHBondContact O-CE2 3.15Å; K1040-L1069 VanDerWaalsContact C-CD1 3.43Å; K1040-L1069 WeakPolarHBondContact O-CD1 3.32Å
1041	T	77.3	Confident	84.9	Confident	48 Å²	48	57 Å²	57	29%	0.294	30%	0.298	S	S	.	.			trans	-68.1	157.2	167.7	58.1	0	0	0	0	109.9	E1043 E1044 Y1045	T1041-E1043 PolarHBondContact O-N 2.72Å; T1041-E1044 PolarHBondContact O-N 2.91Å; T1041-E1044 WeakPolarHBondContact OG1-CG 3.2Å; T1041-Y1045 WeakPolarHBondContact O-CD2 3.18Å
1042	D	73.1	Confident	84.9	Confident	75 Å²	75	55.5 Å²	55.5	40%	0.401	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-31.2	-174.7	-64.8	-25.1	0	0	0	112.6	R1059	D1042-R1059 IonicContact OD2-NH1 2.56Å; D1042-R1059 PolarHBondContact OD2-NH1 3.15Å
1043	E	73.7	Confident	84.8	Confident	187 Å²	187	57.8 Å²	57.8	87%	0.874	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-23.3	-177.8	-64.8	158.9	-171	0	0	114	T1041	T1041-E1043 PolarHBondContact O-N 2.72Å
1044	E	78.3	Confident	84.9	Confident	80 Å²	80	56.8 Å²	56.8	37%	0.374	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-9.3	-173.3	-74.4	177.2	-179.7	0	0	113.6	R582 K1040 T1041 T1046	R582-E1044 IonicContact CZ-OE1 3.17Å; R582-E1044 IonicContact CZ-OE2 3.3Å; R582-E1044 IonicContact NH1-OE1 2.71Å; R582-E1044 PolarHBondContact NH1-OE1 2.56Å; R582-E1044 IonicContact NH1-OE2 2.72Å; R582-E1044 PolarHBondContact NH1-OE2 3.02Å; R582-E1044 IonicContact NH2-OE1 2.7Å; K1040-E1044 HydrophobicContact CB-CB 3.92Å; K1040-E1044 HydrophobicContact CD-CB 4.1Å; T1041-E1044 PolarHBondContact O-N 2.91Å; T1041-E1044 WeakPolarHBondContact OG1-CG 3.2Å; E1044-T1046 PolarHBondContact O-N 3.48Å
1045	Y	81.5	Confident	84.9	Confident	28 Å²	28	56.7 Å²	56.7	11%	0.11	30%	0.296	C	S	.	.			trans	-74.1	114.8	175.4	-79.2	-80.1	0	0	0	110.5	T1039 K1040 T1041 G1047 V1052	T1039-Y1045 PolarHBondContact N-OH 3.32Å; T1039-Y1045 PolarHBondContact OG1-OH 3.29Å; K1040-Y1045 HydrophobicContact CB-CD2 3.93Å; K1040-Y1045 HydrophobicContact CB-CE1 4.44Å; K1040-Y1045 HydrophobicContact CB-CE2 3.64Å; K1040-Y1045 HydrophobicContact CB-CG 4.46Å; K1040-Y1045 HydrophobicContact CD-CD1 4.42Å; K1040-Y1045 HydrophobicContact CG-CE1 4.5Å; K1040-Y1045 PolarHBondContact N-OH 2.93Å; K1040-Y1045 VanDerWaalsContact O-CE2 3.29Å; K1040-Y1045 WeakPolarHBondContact O-CE2 3.15Å; T1041-Y1045 WeakPolarHBondContact O-CD2 3.18Å; Y1045-G1047 PolarHBondContact O-N 2.75Å; Y1045-V1052 HydrophobicContact CD1-CG2 4.03Å; Y1045-V1052 HydrophobicContact CD2-CG1 3.93Å; Y1045-V1052 HydrophobicContact CD2-CG2 3.8Å; Y1045-V1052 HydrophobicContact CE1-CG2 3.75Å; Y1045-V1052 HydrophobicContact CE2-CG1 4.18Å; Y1045-V1052 HydrophobicContact CE2-CG2 3.49Å; Y1045-V1052 VanDerWaalsContact CE2-CG2 3.49Å; Y1045-V1052 HydrophobicContact CG-CG1 4.45Å; Y1045-V1052 HydrophobicContact CG-CG2 4.04Å; Y1045-V1052 VanDerWaalsContact CZ-CG2 3.46Å
1046	T	76.2	Confident	85	Confident	150 Å²	150	57.9 Å²	57.9	92%	0.92	31%	0.307	S	S	*	.	S	Bend	trans	-68.7	-13.7	178.2	45.4	0	0	0	0	114	E1044	E1044-T1046 PolarHBondContact O-N 3.48Å
1047	G	80.1	Confident	85.1	Confident	39 Å²	39	57.4 Å²	57.4	40%	0.402	31%	0.305	S	S	.	.	S	Bend	trans	-150.1	151.2	179.7	0	0	0	0	0	112.1	Y1045 Q1049	Y1045-G1047 PolarHBondContact O-N 2.75Å; G1047-Q1049 PolarHBondContact O-N 3.28Å
1048	K	86.6	Confident	85.3	Confident	123 Å²	123	55.3 Å²	55.3	54%	0.535	30%	0.295	S	S	.	.			trans	-69.2	118.4	179.4	-64.7	-168.6	162.9	-134.2	0	110.6	E1053 Y1088	K1048-E1053 HydrophobicContact CB-CG 4.14Å; K1048-E1053 WeakPolarHBondContact CD-OE1 3.43Å; K1048-E1053 WeakPolarHBondContact CE-OE1 3.42Å; K1048-E1053 VanDerWaalsContact CG-OE1 3.26Å; K1048-E1053 WeakPolarHBondContact CG-OE1 3.49Å; K1048-E1053 IonicContact NZ-OE1 3.89Å; K1048-E1053 PolarHBondContact NZ-OE1 3.42Å; K1048-E1053 IonicContact NZ-OE2 3.99Å; K1048-E1053 PolarHBondContact NZ-OE2 3.49Å; K1048-Y1088 HydrophobicContact CB-CD1 3.78Å; K1048-Y1088 HydrophobicContact CB-CD2 3.83Å; K1048-Y1088 HydrophobicContact CB-CE1 3.9Å; K1048-Y1088 HydrophobicContact CB-CE2 3.99Å; K1048-Y1088 HydrophobicContact CB-CG 3.76Å; K1048-Y1088 HydrophobicContact CD-CD2 4.19Å; K1048-Y1088 HydrophobicContact CD-CE2 3.68Å; K1048-Y1088 HydrophobicContact CG-CE2 4.49Å; K1048-Y1088 WeakPolarHBondContact O-CD1 3.45Å
1049	Q	89.7	Confident	85.4	Confident	74 Å²	74	59.5 Å²	59.5	35%	0.346	31%	0.31	S	S	.	.			trans	-114.4	149	178	-58.5	-166.6	44.9	0	0	110.5	G1047 H1051 V1052 E1053	G1047-Q1049 PolarHBondContact O-N 3.28Å; Q1049-H1051 PolarHBondContact O-N 3.25Å; Q1049-H1051 PolarHBondContact OE1-CE1 3.45Å; Q1049-V1052 HydrophobicContact CB-CB 4.49Å; Q1049-V1052 HydrophobicContact CB-CG2 4.07Å; Q1049-V1052 PolarHBondContact O-N 2.93Å; Q1049-E1053 PolarHBondContact O-N 2.77Å
1050	A	92.5	Very high	85.6	Confident	11 Å²	11	65.2 Å²	65.2	9%	0.091	33%	0.33	C	S	.	.	H	α-helix	trans	-52	-51	-176.9	0	0	0	0	0	114.2	V1052 L1054 Y1075 A1091	A1050-V1052 VanDerWaalsContact C-N 3.35Å; A1050-V1052 PolarHBondContact O-N 3.41Å; A1050-L1054 VanDerWaalsContact O-CB 3.25Å; A1050-L1054 WeakPolarHBondContact O-CB 3.29Å; A1050-L1054 PolarHBondContact O-N 3.06Å; A1050-Y1075 HydrophobicContact CB-CD2 4.17Å; A1050-Y1075 HydrophobicContact CB-CE1 4.42Å; A1050-Y1075 HydrophobicContact CB-CE2 3.66Å; A1050-A1091 HydrophobicContact CB-CB 3.56Å
1051	H	91.2	Very high	85.8	Confident	5 Å²	5	66.2 Å²	66.2	2%	0.023	33%	0.331	C	S	.	.	H	α-helix	trans	-67.8	-32.6	-178.9	61.6	-75.7	0	0	0	113.2	K1036 E1037 Q1049 A1055 V1073 Y1075	K1036-H1051 HydrophobicContact CB-CB 3.99Å; E1037-H1051 PolarHBondContact O-NE2 3.42Å; Q1049-H1051 PolarHBondContact O-N 3.25Å; Q1049-H1051 PolarHBondContact OE1-CE1 3.45Å; H1051-A1055 VanDerWaalsContact O-CB 3.27Å; H1051-A1055 WeakPolarHBondContact O-CB 3.46Å; H1051-A1055 PolarHBondContact O-N 3.02Å; H1051-V1073 HydrophobicContact CB-CB 3.95Å; H1051-V1073 HydrophobicContact CB-CG2 4.24Å; H1051-Y1075 HydrophobicContact CB-CD1 4.18Å; H1051-Y1075 HydrophobicContact CB-CE1 3.96Å
1052	V	91.9	Very high	85.9	Confident	13 Å²	13	65.7 Å²	65.7	8%	0.079	33%	0.327	C	S	.	.	H	α-helix	trans	-73.1	-49.5	178.9	-177.4	0	0	0	0	110.6	L1038 Y1045 Q1049 A1050 L1054 A1055 A1056	L1038-V1052 HydrophobicContact CD2-CG2 4.09Å; Y1045-V1052 HydrophobicContact CD1-CG2 4.03Å; Y1045-V1052 HydrophobicContact CD2-CG1 3.93Å; Y1045-V1052 HydrophobicContact CD2-CG2 3.8Å; Y1045-V1052 HydrophobicContact CE1-CG2 3.75Å; Y1045-V1052 HydrophobicContact CE2-CG1 4.18Å; Y1045-V1052 HydrophobicContact CE2-CG2 3.49Å; Y1045-V1052 VanDerWaalsContact CE2-CG2 3.49Å; Y1045-V1052 HydrophobicContact CG-CG1 4.45Å; Y1045-V1052 HydrophobicContact CG-CG2 4.04Å; Y1045-V1052 VanDerWaalsContact CZ-CG2 3.46Å; Q1049-V1052 HydrophobicContact CB-CB 4.49Å; Q1049-V1052 HydrophobicContact CB-CG2 4.07Å; Q1049-V1052 PolarHBondContact O-N 2.93Å; A1050-V1052 VanDerWaalsContact C-N 3.35Å; A1050-V1052 PolarHBondContact O-N 3.41Å; V1052-L1054 VanDerWaalsContact C-N 3.28Å; V1052-L1054 PolarHBondContact O-N 3.46Å; V1052-A1055 WeakPolarHBondContact O-CB 3.18Å; V1052-A1055 PolarHBondContact O-N 3.49Å; V1052-A1056 PolarHBondContact O-N 3.24Å
1053	E	92.2	Very high	86.1	Confident	52 Å²	52	66.7 Å²	66.7	24%	0.243	34%	0.337	C	S	.	.	H	α-helix	trans	-64.4	-36.4	177.1	-68.9	-79.3	155.5	0	0	111	K1048 Q1049 A1056 K1057 Y1088	K1048-E1053 HydrophobicContact CB-CG 4.14Å; K1048-E1053 WeakPolarHBondContact CD-OE1 3.43Å; K1048-E1053 WeakPolarHBondContact CE-OE1 3.42Å; K1048-E1053 VanDerWaalsContact CG-OE1 3.26Å; K1048-E1053 WeakPolarHBondContact CG-OE1 3.49Å; K1048-E1053 IonicContact NZ-OE1 3.89Å; K1048-E1053 PolarHBondContact NZ-OE1 3.42Å; K1048-E1053 IonicContact NZ-OE2 3.99Å; K1048-E1053 PolarHBondContact NZ-OE2 3.49Å; Q1049-E1053 PolarHBondContact O-N 2.77Å; E1053-A1056 PolarHBondContact O-N 2.75Å; E1053-K1057 WeakPolarHBondContact O-CG 3.46Å; E1053-K1057 PolarHBondContact O-N 2.92Å; E1053-Y1088 HydrophobicContact CG-CD2 4.01Å
1054	L	93.5	Very high	85.9	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-66.4	-44.5	172.8	-178.6	59.7	0	0	0	112.1	A1050 V1052 A1056 K1057 M1058 V1073 E1092 D1093	A1050-L1054 VanDerWaalsContact O-CB 3.25Å; A1050-L1054 WeakPolarHBondContact O-CB 3.29Å; A1050-L1054 PolarHBondContact O-N 3.06Å; V1052-L1054 VanDerWaalsContact C-N 3.28Å; V1052-L1054 PolarHBondContact O-N 3.46Å; L1054-A1056 PolarHBondContact O-N 3.48Å; L1054-K1057 HydrophobicContact CD1-CB 4.35Å; L1054-K1057 HydrophobicContact CD1-CD 4.31Å; L1054-K1057 CarbonylContact O-C 3.48Å; L1054-K1057 WeakPolarHBondContact O-CA 3.4Å; L1054-K1057 WeakPolarHBondContact O-CB 3.36Å; L1054-K1057 PolarHBondContact O-N 3.47Å; L1054-M1058 HydrophobicContact CD1-CG 4.07Å; L1054-M1058 HydrophobicContact CD1-SD 4.43Å; L1054-M1058 HydrophobicContact CD2-SD 4.29Å; L1054-M1058 HydrophobicContact CG-CG 4.11Å; L1054-M1058 HydrophobicContact CG-SD 3.91Å; L1054-M1058 WeakPolarHBondContact O-CB 3.35Å; L1054-M1058 WeakPolarHBondContact O-CG 3.35Å; L1054-M1058 PolarHBondContact O-N 2.86Å; L1054-V1073 HydrophobicContact CD2-CG1 4.06Å; L1054-V1073 HydrophobicContact CG-CG1 4.34Å; L1054-E1092 WeakPolarHBondContact CD1-OE1 3.46Å; L1054-D1093 HydrophobicContact CD1-CB 4.43Å
1055	A	90.7	Very high	85.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-55.4	-42.8	175.7	0	0	0	0	0	111.3	L1038 H1051 V1052 M1058 R1059 P1067 V1073	L1038-A1055 HydrophobicContact CD1-CB 3.98Å; L1038-A1055 HydrophobicContact CD2-CB 4.16Å; H1051-A1055 VanDerWaalsContact O-CB 3.27Å; H1051-A1055 WeakPolarHBondContact O-CB 3.46Å; H1051-A1055 PolarHBondContact O-N 3.02Å; V1052-A1055 WeakPolarHBondContact O-CB 3.18Å; V1052-A1055 PolarHBondContact O-N 3.49Å; A1055-M1058 PolarHBondContact O-N 3.4Å; A1055-R1059 WeakPolarHBondContact O-CB 3.38Å; A1055-R1059 PolarHBondContact O-N 3Å; A1055-P1067 HydrophobicContact CB-CG 3.63Å; A1055-V1073 HydrophobicContact CB-CG2 4.39Å
1056	A	90.1	Very high	85.7	Confident	44 Å²	44	55.8 Å²	55.8	36%	0.364	30%	0.298	S	S	.	.	H	α-helix	trans	-64.1	-41.9	174.3	0	0	0	0	0	112.7	V1052 E1053 L1054 R1059 K1060	V1052-A1056 PolarHBondContact O-N 3.24Å; E1053-A1056 PolarHBondContact O-N 2.75Å; L1054-A1056 PolarHBondContact O-N 3.48Å; A1056-R1059 PolarHBondContact O-N 3.47Å; A1056-K1060 WeakPolarHBondContact O-CB 3.41Å; A1056-K1060 PolarHBondContact O-N 3.18Å
1057	K	91.5	Very high	86	Confident	65 Å²	65	49.2 Å²	49.2	28%	0.283	26%	0.258	S	S	.	.	H	α-helix	trans	-61.4	-44.2	173	-71.2	175.4	-170.6	178.8	0	111.6	E1053 L1054 K1060 R1061 A1089 A1091 E1092	E1053-K1057 WeakPolarHBondContact O-CG 3.46Å; E1053-K1057 PolarHBondContact O-N 2.92Å; L1054-K1057 HydrophobicContact CD1-CB 4.35Å; L1054-K1057 HydrophobicContact CD1-CD 4.31Å; L1054-K1057 CarbonylContact O-C 3.48Å; L1054-K1057 WeakPolarHBondContact O-CA 3.4Å; L1054-K1057 WeakPolarHBondContact O-CB 3.36Å; L1054-K1057 PolarHBondContact O-N 3.47Å; K1057-K1060 PolarHBondContact O-N 3.3Å; K1057-R1061 WeakPolarHBondContact O-CG 3.49Å; K1057-R1061 PolarHBondContact O-N 3.22Å; K1057-A1089 PolarHBondContact NZ-O 3.45Å; K1057-A1089 VanDerWaalsContact NZ-O 3.13Å; K1057-A1091 PolarHBondContact NZ-O 2.98Å; K1057-E1092 IonicContact NZ-OE2 3.6Å
1058	M	89.8	Confident	86.1	Confident	13 Å²	13	52.3 Å²	52.3	6%	0.064	27%	0.265	C	S	.	.	H	α-helix	trans	-61.8	-50.7	177.5	-70.6	173.4	73.1	0	0	110.2	L1054 A1055 K1060 R1061 D1062 V1073	L1054-M1058 HydrophobicContact CD1-CG 4.07Å; L1054-M1058 HydrophobicContact CD1-SD 4.43Å; L1054-M1058 HydrophobicContact CD2-SD 4.29Å; L1054-M1058 HydrophobicContact CG-CG 4.11Å; L1054-M1058 HydrophobicContact CG-SD 3.91Å; L1054-M1058 WeakPolarHBondContact O-CB 3.35Å; L1054-M1058 WeakPolarHBondContact O-CG 3.35Å; L1054-M1058 PolarHBondContact O-N 2.86Å; A1055-M1058 PolarHBondContact O-N 3.4Å; M1058-K1060 VanDerWaalsContact C-N 3.26Å; M1058-K1060 PolarHBondContact O-N 3.29Å; M1058-R1061 PolarHBondContact O-N 3.28Å; M1058-D1062 CarbonylContact O-C 3.5Å; M1058-D1062 PolarHBondContact O-N 2.91Å; M1058-D1062 VanDerWaalsContact O-O 3.13Å; M1058-V1073 HydrophobicContact SD-CG1 4.1Å
1059	R	87.5	Confident	85.8	Confident	92 Å²	92	48.1 Å²	48.1	35%	0.347	25%	0.249	S	C	.	.	H	α-helix	trans	-58.4	-36	176.8	-166.4	175.9	-68.5	149.8	2.2	113.2	D1042 A1055 A1056 P1063 A1066 P1067	D1042-R1059 IonicContact OD2-NH1 2.56Å; D1042-R1059 PolarHBondContact OD2-NH1 3.15Å; A1055-R1059 WeakPolarHBondContact O-CB 3.38Å; A1055-R1059 PolarHBondContact O-N 3Å; A1056-R1059 PolarHBondContact O-N 3.47Å; R1059-P1063 WeakPolarHBondContact O-CD 3.41Å; R1059-P1063 WeakPolarHBondContact O-CG 3.48Å; R1059-A1066 HydrophobicContact CB-CB 3.7Å; R1059-A1066 HydrophobicContact CG-CB 4.03Å; R1059-P1067 PolarHBondContact NH2-O 3.36Å
1060	K	87.4	Confident	85.2	Confident	187 Å²	187	44.7 Å²	44.7	81%	0.813	23%	0.233	S	C	*	.	H	α-helix	trans	-70.5	-32.9	174.7	-173.4	176.2	178.9	179.9	0	113	A1056 K1057 M1058	A1056-K1060 WeakPolarHBondContact O-CB 3.41Å; A1056-K1060 PolarHBondContact O-N 3.18Å; K1057-K1060 PolarHBondContact O-N 3.3Å; M1058-K1060 VanDerWaalsContact C-N 3.26Å; M1058-K1060 PolarHBondContact O-N 3.29Å
1061	R	87.5	Confident	84.7	Confident	105 Å²	105	47 Å²	47	40%	0.396	24%	0.244	S	C	.	.	H	α-helix	trans	-78.1	-49.3	177.9	-75.2	-173.9	-66.8	-152.3	-5.7	111.7	K1057 M1058 E1092	K1057-R1061 WeakPolarHBondContact O-CG 3.49Å; K1057-R1061 PolarHBondContact O-N 3.22Å; M1058-R1061 PolarHBondContact O-N 3.28Å; R1061-E1092 IonicContact CZ-OE1 3.55Å; R1061-E1092 IonicContact NH1-OE1 3.73Å; R1061-E1092 PolarHBondContact NH1-OE1 3.46Å; R1061-E1092 IonicContact NH1-OE2 3.1Å; R1061-E1092 IonicContact NH2-OE1 2.68Å; R1061-E1092 PolarHBondContact NH2-OE1 2.96Å
1062	D	79.8	Confident	84.4	Confident	36 Å²	36	49.3 Å²	49.3	19%	0.193	25%	0.253	C	S	.	.			trans	-148.7	101.5	-179.4	176.3	9.1	0	0	0	109.1	M1058 G1064 S1065 A1066	M1058-D1062 CarbonylContact O-C 3.5Å; M1058-D1062 PolarHBondContact O-N 2.91Å; M1058-D1062 VanDerWaalsContact O-O 3.13Å; D1062-G1064 PolarHBondContact O-N 3.02Å; D1062-G1064 PolarHBondContact OD1-N 3.5Å; D1062-S1065 VanDerWaalsContact OD2-CB 3.27Å; D1062-S1065 WeakPolarHBondContact OD2-CB 3.35Å; D1062-S1065 PolarHBondContact OD2-OG 2.99Å; D1062-A1066 PolarHBondContact O-N 3.25Å
1063	P	76.6	Confident	84.2	Confident	97 Å²	97	48.8 Å²	48.8	63%	0.63	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-60.1	-27.7	176.2	-22.5	31.5	0	0	0	113.9	R1059	R1059-P1063 WeakPolarHBondContact O-CD 3.41Å; R1059-P1063 WeakPolarHBondContact O-CG 3.48Å
1064	G	70.2	Confident	84.1	Confident	20 Å²	20	48 Å²	48	21%	0.206	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-76.7	-29.5	-173.6	0	0	0	0	0	114	D1062	D1062-G1064 PolarHBondContact O-N 3.02Å; D1062-G1064 PolarHBondContact OD1-N 3.5Å
1065	S	72.9	Confident	84.1	Confident	34 Å²	34	48.3 Å²	48.3	24%	0.238	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-102.2	9.1	176.7	65.4	0	0	0	0	113.6	D1062	D1062-S1065 VanDerWaalsContact OD2-CB 3.27Å; D1062-S1065 WeakPolarHBondContact OD2-CB 3.35Å; D1062-S1065 PolarHBondContact OD2-OG 2.99Å
1066	A	81.3	Confident	84.3	Confident	11 Å²	11	48.3 Å²	48.3	9%	0.091	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-73.9	141.9	-179.8	0	0	0	0	0	111.6	R1059 D1062	R1059-A1066 HydrophobicContact CB-CB 3.7Å; R1059-A1066 HydrophobicContact CG-CB 4.03Å; D1062-A1066 PolarHBondContact O-N 3.25Å
1067	P	83.9	Confident	84.5	Confident	12 Å²	12	46.3 Å²	46.3	8%	0.078	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-68.3	147.5	178	29.4	-36	0	0	0	112.1	L1038 A1055 R1059 D1071 V1073	L1038-P1067 HydrophobicContact CD1-CB 3.87Å; L1038-P1067 HydrophobicContact CD1-CG 3.92Å; A1055-P1067 HydrophobicContact CB-CG 3.63Å; R1059-P1067 PolarHBondContact NH2-O 3.36Å; P1067-D1071 HydrophobicContact CB-CB 4.04Å; P1067-V1073 HydrophobicContact CB-CG2 3.88Å; P1067-V1073 HydrophobicContact CG-CG1 4.23Å; P1067-V1073 HydrophobicContact CG-CG2 3.67Å
1068	N	81.1	Confident	84.7	Confident	104 Å²	104	43.4 Å²	43.4	56%	0.556	22%	0.221	S	C	*	.	P	Polyproline II helix	trans	-101.2	171.6	177.6	-63.4	-54.5	0	0	0	112.2	L1038 G1070 D1071	L1038-N1068 WeakPolarHBondContact CD1-O 3.24Å; N1068-G1070 PolarHBondContact O-N 3.26Å; N1068-D1071 WeakPolarHBondContact CB-OD2 3.44Å; N1068-D1071 PolarHBondContact N-OD2 2.92Å; N1068-D1071 VanDerWaalsContact O-CB 3.29Å; N1068-D1071 WeakPolarHBondContact O-CB 3.5Å; N1068-D1071 PolarHBondContact O-N 2.96Å
1069	L	80.2	Confident	84.6	Confident	35 Å²	35	44.8 Å²	44.8	18%	0.183	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	127	174.6	-173.8	71	0	0	0	110.3	M574 R582 K1040	M574-L1069 HydrophobicContact CE-CD2 3.96Å; R582-L1069 HydrophobicContact CG-CD2 4.32Å; K1040-L1069 VanDerWaalsContact C-CD1 3.43Å; K1040-L1069 WeakPolarHBondContact O-CD1 3.32Å
1070	G	77.5	Confident	84.4	Confident	2 Å²	2	44 Å²	44	2%	0.021	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.7	-10.2	-173.5	0	0	0	0	0	114.6	R583 L1038 N1068	R583-G1070 VanDerWaalsContact CZ-O 3.26Å; R583-G1070 PolarHBondContact NH1-O 2.96Å; R583-G1070 PolarHBondContact NH2-O 2.89Å; L1038-G1070 WeakPolarHBondContact O-CA 3.39Å; L1038-G1070 PolarHBondContact O-N 3.05Å; N1068-G1070 PolarHBondContact O-N 3.26Å
1071	D	81.7	Confident	84	Confident	61 Å²	61	37.7 Å²	37.7	33%	0.326	23%	0.227	S	C	.	.			trans	-79.4	149.5	175.9	-67.4	-18.5	0	0	0	111.2	E1037 L1038 P1067 N1068	E1037-D1071 CarbonylContact C-O 3.46Å; E1037-D1071 WeakPolarHBondContact CA-O 3.11Å; L1038-D1071 PolarHBondContact N-O 2.97Å; P1067-D1071 HydrophobicContact CB-CB 4.04Å; N1068-D1071 WeakPolarHBondContact CB-OD2 3.44Å; N1068-D1071 PolarHBondContact N-OD2 2.92Å; N1068-D1071 VanDerWaalsContact O-CB 3.29Å; N1068-D1071 WeakPolarHBondContact O-CB 3.5Å; N1068-D1071 PolarHBondContact O-N 2.96Å
1072	R	84.5	Confident	83.5	Confident	53 Å²	53	35 Å²	35	20%	0.2	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	127.6	169.4	-57.8	-166.5	77.8	-157.7	5.9	110.4	R609 R985 S1035 K1036 E1037 P1074	R609-R1072 PolarHBondContact O-NH1 2.88Å; R985-R1072 PolarHBondContact O-NH2 3.31Å; S1035-R1072 PolarHBondContact O-NH2 2.83Å; S1035-R1072 VanDerWaalsContact OG-CB 3.31Å; S1035-R1072 WeakPolarHBondContact OG-CB 3.47Å; S1035-R1072 PolarHBondContact OG-NE 2.95Å; K1036-R1072 CarbonylContact O-C 3.55Å; K1036-R1072 WeakPolarHBondContact O-CA 3.29Å; E1037-R1072 HydrophobicContact CB-CG 4.13Å; R1072-P1074 WeakPolarHBondContact O-CD 3.3Å
1073	V	88.7	Confident	83.1	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	113.6	179.2	-167.5	0	0	0	0	109	S1035 K1036 L1038 H1051 L1054 A1055 M1058 P1067 Y1075	S1035-V1073 WeakPolarHBondContact CA-O 3.17Å; K1036-V1073 PolarHBondContact N-O 3.26Å; K1036-V1073 PolarHBondContact O-N 2.87Å; L1038-V1073 HydrophobicContact CD1-CG2 3.83Å; L1038-V1073 HydrophobicContact CD2-CG2 4.27Å; L1038-V1073 HydrophobicContact CG-CG2 3.73Å; H1051-V1073 HydrophobicContact CB-CB 3.95Å; H1051-V1073 HydrophobicContact CB-CG2 4.24Å; L1054-V1073 HydrophobicContact CD2-CG1 4.06Å; L1054-V1073 HydrophobicContact CG-CG1 4.34Å; A1055-V1073 HydrophobicContact CB-CG2 4.39Å; M1058-V1073 HydrophobicContact SD-CG1 4.1Å; P1067-V1073 HydrophobicContact CB-CG2 3.88Å; P1067-V1073 HydrophobicContact CG-CG1 4.23Å; P1067-V1073 HydrophobicContact CG-CG2 3.67Å; V1073-Y1075 WeakPolarHBondContact O-CD1 3.37Å
1074	P	89.8	Confident	83.2	Confident	36 Å²	36	46.3 Å²	46.3	23%	0.234	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	136.8	170.7	30.8	-32.7	0	0	0	110.5	V1033 I1034 R1072	V1033-P1074 HydrophobicContact CG1-CB 3.53Å; I1034-P1074 CarbonylContact O-C 3.49Å; I1034-P1074 WeakPolarHBondContact O-CA 3.45Å; R1072-P1074 WeakPolarHBondContact O-CD 3.3Å
1075	Y	93.2	Very high	84	Confident	7 Å²	7	47.5 Å²	47.5	3%	0.027	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	157.2	178	65	-89.2	0	0	0	112.1	I1034 K1036 A1050 H1051 V1073 I1077 A1091 E1092	I1034-Y1075 HydrophobicContact CB-CD2 4.32Å; I1034-Y1075 HydrophobicContact CB-CE1 4.27Å; I1034-Y1075 HydrophobicContact CB-CE2 3.9Å; I1034-Y1075 HydrophobicContact CD1-CE2 4.31Å; I1034-Y1075 HydrophobicContact CG2-CE1 3.9Å; I1034-Y1075 HydrophobicContact CG2-CE2 3.97Å; I1034-Y1075 VanDerWaalsContact CG2-CZ 3.47Å; I1034-Y1075 WeakPolarHBondContact CG2-OH 3.49Å; I1034-Y1075 PolarHBondContact N-O 2.89Å; I1034-Y1075 WeakPolarHBondContact O-CD1 3.47Å; I1034-Y1075 PolarHBondContact O-N 3.16Å; K1036-Y1075 HydrophobicContact CB-CE1 4.32Å; K1036-Y1075 HydrophobicContact CG-CE1 4.25Å; A1050-Y1075 HydrophobicContact CB-CD2 4.17Å; A1050-Y1075 HydrophobicContact CB-CE1 4.42Å; A1050-Y1075 HydrophobicContact CB-CE2 3.66Å; H1051-Y1075 HydrophobicContact CB-CD1 4.18Å; H1051-Y1075 HydrophobicContact CB-CE1 3.96Å; V1073-Y1075 WeakPolarHBondContact O-CD1 3.37Å; Y1075-I1077 HydrophobicContact CD2-CD1 3.89Å; Y1075-I1077 HydrophobicContact CE2-CD1 3.78Å; Y1075-I1077 HydrophobicContact CE2-CG1 4.45Å; Y1075-A1091 HydrophobicContact CD2-CB 3.97Å; Y1075-A1091 HydrophobicContact CG-CB 4.44Å; Y1075-E1092 WeakPolarHBondContact CA-O 3.43Å
1076	V	95.1	Very high	84.6	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	155.6	167.4	-68.7	0	0	0	0	110.3	I1029 L1032 V1033 A1091 E1092 P1094 V1097 I1104 Y1109	I1029-V1076 HydrophobicContact CD1-CG1 4.38Å; I1029-V1076 HydrophobicContact CD1-CG2 4.46Å; I1029-V1076 HydrophobicContact CG1-CG1 4.01Å; L1032-V1076 HydrophobicContact CB-CG1 4.27Å; V1033-V1076 HydrophobicContact CG2-CG1 4.26Å; V1076-A1091 WeakPolarHBondContact O-CA 3.29Å; V1076-E1092 PolarHBondContact N-O 2.94Å; V1076-E1092 PolarHBondContact O-N 2.88Å; V1076-P1094 HydrophobicContact CG1-CB 4.35Å; V1076-P1094 HydrophobicContact CG1-CG 4.18Å; V1076-V1097 HydrophobicContact CG2-CB 4.12Å; V1076-V1097 HydrophobicContact CG2-CG1 4.3Å; V1076-V1097 HydrophobicContact CG2-CG2 3.62Å; V1076-I1104 HydrophobicContact CB-CD1 3.97Å; V1076-I1104 HydrophobicContact CG2-CD1 3.85Å; V1076-Y1109 WeakPolarHBondContact CA-OH 2.95Å
1077	I	95.1	Very high	84.9	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	118.3	174.5	-58.7	-55.5	0	0	0	109.8	I1034 Y1075 K1090 A1091 D1105 Y1108 Y1109	I1034-I1077 HydrophobicContact CD1-CG1 4.48Å; Y1075-I1077 HydrophobicContact CD2-CD1 3.89Å; Y1075-I1077 HydrophobicContact CE2-CD1 3.78Å; Y1075-I1077 HydrophobicContact CE2-CG1 4.45Å; I1077-K1090 HydrophobicContact CG2-CB 3.88Å; I1077-K1090 HydrophobicContact CG2-CD 4.13Å; I1077-A1091 HydrophobicContact CD1-CB 4.05Å; I1077-D1105 HydrophobicContact CG2-CB 3.96Å; I1077-D1105 PolarHBondContact O-N 2.77Å; I1077-Y1108 HydrophobicContact CB-CD1 3.71Å; I1077-Y1108 HydrophobicContact CB-CE1 4.01Å; I1077-Y1108 HydrophobicContact CB-CG 4.11Å; I1077-Y1108 HydrophobicContact CG1-CD1 3.71Å; I1077-Y1108 HydrophobicContact CG1-CE1 3.44Å; I1077-Y1108 VanDerWaalsContact CG1-CE1 3.44Å; I1077-Y1108 HydrophobicContact CG1-CE2 4.31Å; I1077-Y1108 HydrophobicContact CG1-CG 4.29Å; I1077-Y1108 HydrophobicContact CG2-CD1 3.94Å; I1077-Y1108 HydrophobicContact CG2-CD2 4.16Å; I1077-Y1108 HydrophobicContact CG2-CE1 4.46Å; I1077-Y1108 HydrophobicContact CG2-CG 3.78Å; I1077-Y1109 HydrophobicContact CB-CE2 4.17Å; I1077-Y1109 PolarHBondContact N-OH 2.77Å; I1077-Y1109 VanDerWaalsContact N-OH 3.12Å
1078	T	94.2	Very high	85.1	Confident	4 Å²	4	52.6 Å²	52.6	3%	0.025	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-94.5	156.2	-179	68	0	0	0	0	111.9	V1080 K1090 E1092 V1097 V1102 P1103	T1078-V1080 PolarHBondContact O-N 3.5Å; T1078-V1080 VanDerWaalsContact O-N 3.16Å; T1078-V1080 WeakPolarHBondContact OG1-CG2 3.48Å; T1078-K1090 WeakPolarHBondContact CB-O 3.41Å; T1078-K1090 PolarHBondContact N-O 3.16Å; T1078-K1090 WeakPolarHBondContact O-CB 3.44Å; T1078-K1090 WeakPolarHBondContact O-CD 3.36Å; T1078-K1090 WeakPolarHBondContact O-CG 3.39Å; T1078-K1090 PolarHBondContact OG1-O 3.18Å; T1078-E1092 HydrophobicContact CG2-CB 3.77Å; T1078-V1097 HydrophobicContact CG2-CG2 3.59Å; T1078-V1102 HydrophobicContact CG2-CB 4.39Å; T1078-V1102 HydrophobicContact CG2-CG1 3.7Å; T1078-P1103 CarbonylContact C-O 3.47Å; T1078-P1103 VanDerWaalsContact CA-O 3.32Å; T1078-P1103 WeakPolarHBondContact CA-O 3.34Å; T1078-P1103 WeakPolarHBondContact CB-O 3.41Å
1079	A	89.5	Confident	85.6	Confident	42 Å²	42	49.6 Å²	49.6	35%	0.347	30%	0.299	S	S	.	.			trans	-79.6	18.8	174.8	0	0	0	0	0	112.7	G1081 P1103 D1105	A1079-G1081 PolarHBondContact O-N 2.74Å; A1079-P1103 HydrophobicContact CB-CB 4.19Å; A1079-P1103 HydrophobicContact CB-CG 4.19Å; A1079-P1103 PolarHBondContact N-O 2.83Å; A1079-D1105 HydrophobicContact CB-CB 4.32Å
1080	V	83.1	Confident	86.2	Confident	77 Å²	77	49 Å²	49	47%	0.467	30%	0.295	S	S	.	.			trans	-72.7	125.9	-179.9	178.8	0	0	0	0	109.9	T1078 K1090 V1102	T1078-V1080 PolarHBondContact O-N 3.5Å; T1078-V1080 VanDerWaalsContact O-N 3.16Å; T1078-V1080 WeakPolarHBondContact OG1-CG2 3.48Å; V1080-K1090 WeakPolarHBondContact O-CG 3.47Å; V1080-V1102 HydrophobicContact CG2-CG1 3.42Å; V1080-V1102 VanDerWaalsContact CG2-CG1 3.42Å
1081	G	78.8	Confident	87	Confident	53 Å²	53	48.9 Å²	48.9	55%	0.546	29%	0.294	S	S	.	.	S	Bend	trans	98.1	173.4	-178	0	0	0	0	0	113.9	A1079 T1085	A1079-G1081 PolarHBondContact O-N 2.74Å; G1081-T1085 WeakPolarHBondContact CA-OG1 3.23Å
1082	G	76.4	Confident	87.6	Confident	49 Å²	49	47 Å²	47	51%	0.505	28%	0.283	S	S	.	.			trans	-73.3	173.7	179.6	0	0	0	0	0	113.9	N1084 T1085	G1082-N1084 PolarHBondContact O-N 3.24Å; G1082-T1085 PolarHBondContact N-OG1 2.97Å; G1082-T1085 WeakPolarHBondContact O-CB 3.31Å; G1082-T1085 PolarHBondContact O-N 2.7Å; G1082-T1085 PolarHBondContact O-OG1 2.89Å
1083	K	72.2	Confident	88	Confident	206 Å²	206	45.3 Å²	45.3	90%	0.896	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-29.2	-178.8	-70.9	-177.7	-179.6	177.2	0	114.4
1084	N	78.6	Confident	88.1	Confident	164 Å²	164	45.3 Å²	45.3	88%	0.877	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	9.9	-177.7	-61.3	-10.9	0	0	0	113.4	G1082 A1086	G1082-N1084 PolarHBondContact O-N 3.24Å; N1084-A1086 PolarHBondContact O-N 2.75Å
1085	T	86.1	Confident	88	Confident	46 Å²	46	44.5 Å²	44.5	28%	0.282	27%	0.272	S	S	.	.			trans	-71.1	125.9	177.6	-49.9	0	0	0	0	109	G1081 G1082 A1089 K1090	G1081-T1085 WeakPolarHBondContact CA-OG1 3.23Å; G1082-T1085 PolarHBondContact N-OG1 2.97Å; G1082-T1085 WeakPolarHBondContact O-CB 3.31Å; G1082-T1085 PolarHBondContact O-N 2.7Å; G1082-T1085 PolarHBondContact O-OG1 2.89Å; T1085-A1089 HydrophobicContact CG2-CB 3.95Å; T1085-K1090 HydrophobicContact CG2-CG 4.15Å; T1085-K1090 VanDerWaalsContact O-CE 3.23Å; T1085-K1090 WeakPolarHBondContact O-CE 3.19Å
1086	A	86.3	Confident	87.9	Confident	40 Å²	40	47 Å²	47	33%	0.331	28%	0.282	S	S	.	.			trans	-62.1	147.4	-178.6	0	0	0	0	0	112.1	N1084 Y1088 A1089 K1090	N1084-A1086 PolarHBondContact O-N 2.75Å; A1086-Y1088 HydrophobicContact CB-CD1 3.6Å; A1086-Y1088 HydrophobicContact CB-CE1 3.21Å; A1086-Y1088 HydrophobicContact CB-CE2 4.46Å; A1086-Y1088 HydrophobicContact CB-CG 4.36Å; A1086-Y1088 PolarHBondContact O-N 3.39Å; A1086-A1089 PolarHBondContact O-N 2.99Å; A1086-A1089 VanDerWaalsContact O-N 3.08Å; A1086-K1090 PolarHBondContact O-N 3.42Å
1087	A	87	Confident	87.7	Confident	40 Å²	40	47.3 Å²	47.3	33%	0.331	28%	0.283	S	S	.	.	H	α-helix	trans	-57.6	-33.3	-177.3	0	0	0	0	0	113	A1089 K1090 A1091 Y1108	A1087-A1089 VanDerWaalsContact C-N 3.28Å; A1087-A1089 PolarHBondContact O-N 3.43Å; A1087-K1090 PolarHBondContact O-N 2.94Å; A1087-A1091 PolarHBondContact O-N 3.28Å; A1087-A1091 VanDerWaalsContact O-N 3.16Å; A1087-Y1108 HydrophobicContact CB-CE2 4.18Å
1088	Y	89.3	Confident	87.4	Confident	83 Å²	83	48.4 Å²	48.4	33%	0.325	29%	0.289	S	S	.	.	H	α-helix	trans	-63.8	-32.2	179.2	66.4	-104.4	0	0	0	113.4	K1048 E1053 A1086	K1048-Y1088 HydrophobicContact CB-CD1 3.78Å; K1048-Y1088 HydrophobicContact CB-CD2 3.83Å; K1048-Y1088 HydrophobicContact CB-CE1 3.9Å; K1048-Y1088 HydrophobicContact CB-CE2 3.99Å; K1048-Y1088 HydrophobicContact CB-CG 3.76Å; K1048-Y1088 HydrophobicContact CD-CD2 4.19Å; K1048-Y1088 HydrophobicContact CD-CE2 3.68Å; K1048-Y1088 HydrophobicContact CG-CE2 4.49Å; K1048-Y1088 WeakPolarHBondContact O-CD1 3.45Å; E1053-Y1088 HydrophobicContact CG-CD2 4.01Å; A1086-Y1088 HydrophobicContact CB-CD1 3.6Å; A1086-Y1088 HydrophobicContact CB-CE1 3.21Å; A1086-Y1088 HydrophobicContact CB-CE2 4.46Å; A1086-Y1088 HydrophobicContact CB-CG 4.36Å; A1086-Y1088 PolarHBondContact O-N 3.39Å
1089	A	89.7	Confident	87	Confident	42 Å²	42	53.6 Å²	53.6	35%	0.347	31%	0.313	S	S	.	.	H	α-helix	trans	-77.8	-30	179.9	0	0	0	0	0	111.6	K1057 T1085 A1086 A1087 A1091	K1057-A1089 PolarHBondContact NZ-O 3.45Å; K1057-A1089 VanDerWaalsContact NZ-O 3.13Å; T1085-A1089 HydrophobicContact CG2-CB 3.95Å; A1086-A1089 PolarHBondContact O-N 2.99Å; A1086-A1089 VanDerWaalsContact O-N 3.08Å; A1087-A1089 VanDerWaalsContact C-N 3.28Å; A1087-A1089 PolarHBondContact O-N 3.43Å; A1089-A1091 VanDerWaalsContact C-N 3.35Å
1090	K	92.9	Very high	86.9	Confident	21 Å²	21	54 Å²	54	9%	0.091	31%	0.307	C	S	.	.	H	α-helix	trans	-77.2	-16.2	177.7	-69.4	179.5	172.4	-173.1	0	114.1	I1077 T1078 V1080 T1085 A1086 A1087 D1105	I1077-K1090 HydrophobicContact CG2-CB 3.88Å; I1077-K1090 HydrophobicContact CG2-CD 4.13Å; T1078-K1090 WeakPolarHBondContact CB-O 3.41Å; T1078-K1090 PolarHBondContact N-O 3.16Å; T1078-K1090 WeakPolarHBondContact O-CB 3.44Å; T1078-K1090 WeakPolarHBondContact O-CD 3.36Å; T1078-K1090 WeakPolarHBondContact O-CG 3.39Å; T1078-K1090 PolarHBondContact OG1-O 3.18Å; V1080-K1090 WeakPolarHBondContact O-CG 3.47Å; T1085-K1090 HydrophobicContact CG2-CG 4.15Å; T1085-K1090 VanDerWaalsContact O-CE 3.23Å; T1085-K1090 WeakPolarHBondContact O-CE 3.19Å; A1086-K1090 PolarHBondContact O-N 3.42Å; A1087-K1090 PolarHBondContact O-N 2.94Å; K1090-D1105 IonicContact NZ-OD2 2.65Å; K1090-D1105 PolarHBondContact NZ-OD2 3.39Å
1091	A	94.4	Very high	87.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	132.3	180	0	0	0	0	0	111.3	A1050 K1057 Y1075 V1076 I1077 A1087 A1089	A1050-A1091 HydrophobicContact CB-CB 3.56Å; K1057-A1091 PolarHBondContact NZ-O 2.98Å; Y1075-A1091 HydrophobicContact CD2-CB 3.97Å; Y1075-A1091 HydrophobicContact CG-CB 4.44Å; V1076-A1091 WeakPolarHBondContact O-CA 3.29Å; I1077-A1091 HydrophobicContact CD1-CB 4.05Å; A1087-A1091 PolarHBondContact O-N 3.28Å; A1087-A1091 VanDerWaalsContact O-N 3.16Å; A1089-A1091 VanDerWaalsContact C-N 3.35Å
1092	E	94.9	Very high	87.6	Confident	22 Å²	22	50.2 Å²	50.2	10%	0.103	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	156.4	-179.4	-164	50.6	-96.9	0	0	111.6	L1054 K1057 R1061 Y1075 V1076 T1078 Y1096 V1097	L1054-E1092 WeakPolarHBondContact CD1-OE1 3.46Å; K1057-E1092 IonicContact NZ-OE2 3.6Å; R1061-E1092 IonicContact CZ-OE1 3.55Å; R1061-E1092 IonicContact NH1-OE1 3.73Å; R1061-E1092 PolarHBondContact NH1-OE1 3.46Å; R1061-E1092 IonicContact NH1-OE2 3.1Å; R1061-E1092 IonicContact NH2-OE1 2.68Å; R1061-E1092 PolarHBondContact NH2-OE1 2.96Å; Y1075-E1092 WeakPolarHBondContact CA-O 3.43Å; V1076-E1092 PolarHBondContact N-O 2.94Å; V1076-E1092 PolarHBondContact O-N 2.88Å; T1078-E1092 HydrophobicContact CG2-CB 3.77Å; E1092-Y1096 HydrophobicContact CG-CD1 3.46Å; E1092-Y1096 VanDerWaalsContact CG-CD1 3.46Å; E1092-Y1096 HydrophobicContact CG-CE1 4.13Å; E1092-Y1096 HydrophobicContact CG-CG 4.24Å; E1092-V1097 HydrophobicContact CB-CG2 3.73Å; E1092-V1097 HydrophobicContact CG-CG2 3.76Å
1093	D	92.5	Very high	88.3	Confident	18 Å²	18	49.3 Å²	49.3	10%	0.096	26%	0.258	C	S	.	.			trans	-65	130.8	176.2	168.3	63	0	0	0	110.6	L1054 L1095 Y1096 V1097	L1054-D1093 HydrophobicContact CD1-CB 4.43Å; D1093-L1095 VanDerWaalsContact C-N 3.27Å; D1093-L1095 PolarHBondContact O-N 3.32Å; D1093-L1095 WeakPolarHBondContact OD2-CB 3.33Å; D1093-L1095 PolarHBondContact OD2-N 2.79Å; D1093-Y1096 PolarHBondContact O-N 2.9Å; D1093-Y1096 PolarHBondContact OD2-N 2.81Å; D1093-V1097 WeakPolarHBondContact O-CG2 3.38Å; D1093-V1097 PolarHBondContact O-N 3.05Å
1094	P	92	Very high	89.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.4	-35.4	-176.7	-22.9	32.4	0	0	0	113.7	I1029 V1033 V1076 V1097 L1098 Y1235	I1029-P1094 HydrophobicContact CD1-CB 4.21Å; I1029-P1094 WeakPolarHBondContact CD1-O 3.31Å; V1033-P1094 HydrophobicContact CG1-CG 4.23Å; V1033-P1094 HydrophobicContact CG2-CB 4.07Å; V1033-P1094 HydrophobicContact CG2-CG 3.7Å; V1076-P1094 HydrophobicContact CG1-CB 4.35Å; V1076-P1094 HydrophobicContact CG1-CG 4.18Å; P1094-V1097 PolarHBondContact O-N 2.97Å; P1094-L1098 PolarHBondContact O-N 2.84Å; P1094-L1098 VanDerWaalsContact O-N 3.09Å; P1094-Y1235 HydrophobicContact CB-CE1 3.89Å
1095	L	87.7	Confident	90	Very high	20 Å²	20	33.6 Å²	33.6	11%	0.105	18%	0.183	C	C	.	.	H	α-helix	trans	-70.5	-46.2	177.7	-70.8	168.9	0	0	0	111.2	D1093 V1097 L1098 E1099 R1229 F1234 Y1235	D1093-L1095 VanDerWaalsContact C-N 3.27Å; D1093-L1095 PolarHBondContact O-N 3.32Å; D1093-L1095 WeakPolarHBondContact OD2-CB 3.33Å; D1093-L1095 PolarHBondContact OD2-N 2.79Å; L1095-V1097 PolarHBondContact O-N 2.99Å; L1095-L1098 WeakPolarHBondContact O-CB 3.33Å; L1095-L1098 PolarHBondContact O-N 3.32Å; L1095-L1098 VanDerWaalsContact O-N 3.09Å; L1095-E1099 WeakPolarHBondContact O-CG 3.35Å; L1095-E1099 PolarHBondContact O-N 3.13Å; L1095-R1229 HydrophobicContact CD1-CG 4.13Å; L1095-F1234 HydrophobicContact CD1-CE1 4.01Å; L1095-F1234 HydrophobicContact CD1-CZ 4.29Å; L1095-F1234 HydrophobicContact CD2-CD1 4.38Å; L1095-F1234 HydrophobicContact CD2-CE1 3.36Å; L1095-F1234 HydrophobicContact CD2-CZ 3.71Å; L1095-F1234 HydrophobicContact CG-CE1 4.2Å; L1095-Y1235 HydrophobicContact CD2-CD1 4.14Å; L1095-Y1235 HydrophobicContact CD2-CE1 3.85Å; L1095-Y1235 HydrophobicContact CG-CE1 4.06Å
1096	Y	90.3	Very high	90.3	Very high	60 Å²	60	32.6 Å²	32.6	24%	0.235	18%	0.177	C	C	.	.	H	α-helix	trans	-55.3	-40.5	173.8	-176.3	-88.4	0	0	0	112	E1092 D1093 E1099 H1100 V1102	E1092-Y1096 HydrophobicContact CG-CD1 3.46Å; E1092-Y1096 VanDerWaalsContact CG-CD1 3.46Å; E1092-Y1096 HydrophobicContact CG-CE1 4.13Å; E1092-Y1096 HydrophobicContact CG-CG 4.24Å; D1093-Y1096 PolarHBondContact O-N 2.9Å; D1093-Y1096 PolarHBondContact OD2-N 2.81Å; Y1096-E1099 PolarHBondContact O-N 2.91Å; Y1096-H1100 AromaticContact CD1-ND1 3.91Å; Y1096-H1100 AromaticContact CD2-CE1 3.47Å; Y1096-H1100 VanDerWaalsContact CD2-CE1 3.47Å; Y1096-H1100 WeakPolarHBondContact CD2-CE1 2.85Å; Y1096-H1100 AromaticContact CD2-ND1 3.45Å; Y1096-H1100 WeakPolarHBondContact CD2-ND1 3.48Å; Y1096-H1100 HydrophobicContact CE1-CB 4.44Å; Y1096-H1100 AromaticContact CE1-ND1 3.91Å; Y1096-H1100 AromaticContact CE2-CE1 3.33Å; Y1096-H1100 WeakPolarHBondContact CE2-CE1 3.26Å; Y1096-H1100 AromaticContact CE2-ND1 3.45Å; Y1096-H1100 WeakPolarHBondContact CE2-ND1 3.44Å; Y1096-H1100 AromaticContact CE2-NE2 3.99Å; Y1096-H1100 AromaticContact CG-ND1 3.7Å; Y1096-H1100 AromaticContact CZ-CE1 3.93Å; Y1096-H1100 AromaticContact CZ-ND1 3.68Å; Y1096-H1100 WeakPolarHBondContact O-CB 3.45Å; Y1096-H1100 PolarHBondContact O-N 2.68Å; Y1096-H1100 PolarHBondContact O-ND1 2.71Å; Y1096-V1102 HydrophobicContact CD1-CG2 4.42Å; Y1096-V1102 HydrophobicContact CE1-CG2 4.25Å
1097	V	91.8	Very high	90.6	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.03	19%	0.186	C	C	.	.	H	α-helix	trans	-62.6	-45.2	176.7	167.1	0	0	0	0	112	I1029 V1076 T1078 E1092 D1093 P1094 L1095 N1101 V1102 I1104	I1029-V1097 HydrophobicContact CD1-CB 4.16Å; I1029-V1097 HydrophobicContact CD1-CG1 3.78Å; V1076-V1097 HydrophobicContact CG2-CB 4.12Å; V1076-V1097 HydrophobicContact CG2-CG1 4.3Å; V1076-V1097 HydrophobicContact CG2-CG2 3.62Å; T1078-V1097 HydrophobicContact CG2-CG2 3.59Å; E1092-V1097 HydrophobicContact CB-CG2 3.73Å; E1092-V1097 HydrophobicContact CG-CG2 3.76Å; D1093-V1097 WeakPolarHBondContact O-CG2 3.38Å; D1093-V1097 PolarHBondContact O-N 3.05Å; P1094-V1097 PolarHBondContact O-N 2.97Å; L1095-V1097 PolarHBondContact O-N 2.99Å; V1097-N1101 PolarHBondContact O-N 2.8Å; V1097-V1102 HydrophobicContact CB-CB 4.37Å; V1097-V1102 HydrophobicContact CG1-CB 4.15Å; V1097-V1102 WeakPolarHBondContact CG1-O 3.31Å; V1097-V1102 HydrophobicContact CG2-CB 4.13Å; V1097-V1102 PolarHBondContact O-N 3.06Å; V1097-I1104 HydrophobicContact CG1-CD1 3.84Å
1098	L	87.4	Confident	90.8	Very high	25 Å²	25	36.6 Å²	36.6	13%	0.131	18%	0.179	C	C	.	.	H	α-helix	trans	-63.4	-46.6	175.1	-75.9	-180	0	0	0	111.9	I1029 P1094 L1095 H1100 Y1235 M1238 K1239 K1242	I1029-L1098 HydrophobicContact CB-CD2 4.39Å; I1029-L1098 HydrophobicContact CD1-CD2 4.13Å; I1029-L1098 HydrophobicContact CD1-CG 3.95Å; I1029-L1098 HydrophobicContact CG2-CD1 3.82Å; I1029-L1098 HydrophobicContact CG2-CD2 3.94Å; I1029-L1098 HydrophobicContact CG2-CG 3.98Å; P1094-L1098 PolarHBondContact O-N 2.84Å; P1094-L1098 VanDerWaalsContact O-N 3.09Å; L1095-L1098 WeakPolarHBondContact O-CB 3.33Å; L1095-L1098 PolarHBondContact O-N 3.32Å; L1095-L1098 VanDerWaalsContact O-N 3.09Å; L1098-H1100 VanDerWaalsContact C-N 3.29Å; L1098-H1100 PolarHBondContact O-N 2.77Å; L1098-Y1235 HydrophobicContact CD1-CD1 3.76Å; L1098-M1238 HydrophobicContact CD1-CB 4.31Å; L1098-K1239 HydrophobicContact CD2-CB 4.25Å; L1098-K1242 PolarHBondContact O-NZ 3.31Å
1099	E	86.1	Confident	91.1	Very high	113 Å²	113	32.6 Å²	32.6	53%	0.528	16%	0.163	S	C	.	.	H	α-helix	trans	-60.2	-39.5	-179.3	-74.1	174.5	-179.1	0	0	111.7	L1095 Y1096 K1242	L1095-E1099 WeakPolarHBondContact O-CG 3.35Å; L1095-E1099 PolarHBondContact O-N 3.13Å; Y1096-E1099 PolarHBondContact O-N 2.91Å; E1099-K1242 PolarHBondContact O-NZ 3.35Å
1100	H	88.2	Confident	91.3	Very high	49 Å²	49	31.7 Å²	31.7	23%	0.227	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	13.6	-172.9	-56.2	88	0	0	0	115	Y1096 L1098 V1102 S1149 T1150 V1151	Y1096-H1100 AromaticContact CD1-ND1 3.91Å; Y1096-H1100 AromaticContact CD2-CE1 3.47Å; Y1096-H1100 VanDerWaalsContact CD2-CE1 3.47Å; Y1096-H1100 WeakPolarHBondContact CD2-CE1 2.85Å; Y1096-H1100 AromaticContact CD2-ND1 3.45Å; Y1096-H1100 WeakPolarHBondContact CD2-ND1 3.48Å; Y1096-H1100 HydrophobicContact CE1-CB 4.44Å; Y1096-H1100 AromaticContact CE1-ND1 3.91Å; Y1096-H1100 AromaticContact CE2-CE1 3.33Å; Y1096-H1100 WeakPolarHBondContact CE2-CE1 3.26Å; Y1096-H1100 AromaticContact CE2-ND1 3.45Å; Y1096-H1100 WeakPolarHBondContact CE2-ND1 3.44Å; Y1096-H1100 AromaticContact CE2-NE2 3.99Å; Y1096-H1100 AromaticContact CG-ND1 3.7Å; Y1096-H1100 AromaticContact CZ-CE1 3.93Å; Y1096-H1100 AromaticContact CZ-ND1 3.68Å; Y1096-H1100 WeakPolarHBondContact O-CB 3.45Å; Y1096-H1100 PolarHBondContact O-N 2.68Å; Y1096-H1100 PolarHBondContact O-ND1 2.71Å; L1098-H1100 VanDerWaalsContact C-N 3.29Å; L1098-H1100 PolarHBondContact O-N 2.77Å; H1100-V1102 HydrophobicContact CB-CG2 3.88Å; H1100-V1102 PolarHBondContact O-N 2.76Å; H1100-S1149 PolarHBondContact O-OG 2.95Å; H1100-T1150 WeakPolarHBondContact CA-OG1 3.42Å; H1100-T1150 PolarHBondContact O-N 3.33Å; H1100-T1150 VanDerWaalsContact O-N 3.13Å; H1100-T1150 PolarHBondContact O-OG1 3Å; H1100-V1151 HydrophobicContact CB-CG1 3.98Å; H1100-V1151 HydrophobicContact CB-CG2 3.76Å; H1100-V1151 VanDerWaalsContact CD2-CG1 3.41Å; H1100-V1151 WeakPolarHBondContact CD2-CG1 3.43Å
1101	N	86.4	Confident	91.3	Very high	41 Å²	41	35.5 Å²	35.5	22%	0.219	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	36.4	-178.6	-77.5	-22	0	0	0	112.6	V1097 P1103 S1149 T1150 K1242 E1246	V1097-N1101 PolarHBondContact O-N 2.8Å; N1101-P1103 WeakPolarHBondContact O-CD 3.34Å; N1101-S1149 VanDerWaalsContact O-CA 3.3Å; N1101-S1149 WeakPolarHBondContact O-CA 3.48Å; N1101-T1150 HydrophobicContact CB-CG2 4.47Å; N1101-K1242 WeakPolarHBondContact ND2-CE 3.4Å; N1101-K1242 PolarHBondContact ND2-NZ 2.93Å; N1101-K1242 VanDerWaalsContact OD1-CE 3.31Å; N1101-K1242 WeakPolarHBondContact OD1-CE 3.14Å; N1101-K1242 PolarHBondContact OD1-NZ 2.83Å; N1101-E1246 PolarHBondContact ND2-OE1 2.82Å
1102	V	90.7	Very high	91.2	Very high	11 Å²	11	39.4 Å²	39.4	7%	0.067	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-68.8	124.9	-177.5	-171.3	0	0	0	0	108.1	T1078 V1080 Y1096 V1097 H1100 I1104 V1151	T1078-V1102 HydrophobicContact CG2-CB 4.39Å; T1078-V1102 HydrophobicContact CG2-CG1 3.7Å; V1080-V1102 HydrophobicContact CG2-CG1 3.42Å; V1080-V1102 VanDerWaalsContact CG2-CG1 3.42Å; Y1096-V1102 HydrophobicContact CD1-CG2 4.42Å; Y1096-V1102 HydrophobicContact CE1-CG2 4.25Å; V1097-V1102 HydrophobicContact CB-CB 4.37Å; V1097-V1102 HydrophobicContact CG1-CB 4.15Å; V1097-V1102 WeakPolarHBondContact CG1-O 3.31Å; V1097-V1102 HydrophobicContact CG2-CB 4.13Å; V1097-V1102 PolarHBondContact O-N 3.06Å; H1100-V1102 HydrophobicContact CB-CG2 3.88Å; H1100-V1102 PolarHBondContact O-N 2.76Å; V1102-I1104 PolarHBondContact O-N 2.67Å; V1102-V1151 HydrophobicContact CG2-CG2 4.04Å
1103	P	90.7	Very high	91	Very high	29 Å²	29	38.9 Å²	38.9	19%	0.188	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-65.3	136.9	-177.1	24.6	-33.1	0	0	0	110.8	T1078 A1079 N1101 V1147	T1078-P1103 CarbonylContact C-O 3.47Å; T1078-P1103 VanDerWaalsContact CA-O 3.32Å; T1078-P1103 WeakPolarHBondContact CA-O 3.34Å; T1078-P1103 WeakPolarHBondContact CB-O 3.41Å; A1079-P1103 HydrophobicContact CB-CB 4.19Å; A1079-P1103 HydrophobicContact CB-CG 4.19Å; A1079-P1103 PolarHBondContact N-O 2.83Å; N1101-P1103 WeakPolarHBondContact O-CD 3.34Å; P1103-V1147 HydrophobicContact CB-CB 4.31Å
1104	I	92.6	Very high	91.1	Very high	20 Å²	20	38 Å²	38	10%	0.103	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-77.7	142.2	173.6	-63.5	-64.8	0	0	0	110.3	I1029 L1032 V1076 V1097 V1102 T1106 Y1109	I1029-I1104 HydrophobicContact CD1-CD1 4.45Å; L1032-I1104 HydrophobicContact CD1-CG1 4.46Å; L1032-I1104 HydrophobicContact CD1-CG2 4.08Å; V1076-I1104 HydrophobicContact CB-CD1 3.97Å; V1076-I1104 HydrophobicContact CG2-CD1 3.85Å; V1097-I1104 HydrophobicContact CG1-CD1 3.84Å; V1102-I1104 PolarHBondContact O-N 2.67Å; I1104-T1106 VanDerWaalsContact C-N 3.29Å; I1104-T1106 PolarHBondContact O-N 3.43Å; I1104-Y1109 HydrophobicContact CG2-CD2 3.87Å; I1104-Y1109 HydrophobicContact CG2-CE2 3.64Å
1105	D	93.1	Very high	91.3	Very high	21 Å²	21	38.5 Å²	38.5	11%	0.112	19%	0.188	C	C	.	.			trans	-79	77.4	172.4	-164.4	-23	0	0	0	110.3	I1077 A1079 K1090 K1107 Y1108 Y1109	I1077-D1105 HydrophobicContact CG2-CB 3.96Å; I1077-D1105 PolarHBondContact O-N 2.77Å; A1079-D1105 HydrophobicContact CB-CB 4.32Å; K1090-D1105 IonicContact NZ-OD2 2.65Å; K1090-D1105 PolarHBondContact NZ-OD2 3.39Å; D1105-K1107 PolarHBondContact O-N 2.81Å; D1105-K1107 VanDerWaalsContact O-N 3.11Å; D1105-K1107 WeakPolarHBondContact OD1-CB 3.43Å; D1105-K1107 PolarHBondContact OD1-N 3.45Å; D1105-Y1108 WeakPolarHBondContact O-CB 3.36Å; D1105-Y1108 PolarHBondContact O-N 2.95Å; D1105-Y1108 PolarHBondContact OD1-N 2.83Å; D1105-Y1109 WeakPolarHBondContact O-CD2 3.49Å; D1105-Y1109 PolarHBondContact O-N 3.27Å
1106	T	93.1	Very high	91.5	Very high	25 Å²	25	42.1 Å²	42.1	15%	0.153	21%	0.208	C	C	.	.	H	α-helix	trans	-57.7	-26.9	-179.7	56.6	0	0	0	0	112.8	L1022 I1104 Y1109 L1110	L1022-T1106 HydrophobicContact CD1-CG2 4.42Å; L1022-T1106 WeakPolarHBondContact O-CG2 3.48Å; I1104-T1106 VanDerWaalsContact C-N 3.29Å; I1104-T1106 PolarHBondContact O-N 3.43Å; T1106-Y1109 PolarHBondContact O-N 2.89Å; T1106-L1110 WeakPolarHBondContact O-CB 3.4Å; T1106-L1110 PolarHBondContact O-N 3.04Å
1107	K	90.9	Very high	91.6	Very high	120 Å²	120	39.5 Å²	39.5	52%	0.522	20%	0.198	S	C	.	.	H	α-helix	trans	-67.7	-45.5	175.2	-173.7	-176.4	177.7	-166.6	0	111.4	D1105 Y1109 L1110 E1111	D1105-K1107 PolarHBondContact O-N 2.81Å; D1105-K1107 VanDerWaalsContact O-N 3.11Å; D1105-K1107 WeakPolarHBondContact OD1-CB 3.43Å; D1105-K1107 PolarHBondContact OD1-N 3.45Å; K1107-Y1109 VanDerWaalsContact C-N 3.31Å; K1107-Y1109 PolarHBondContact O-N 3.31Å; K1107-L1110 PolarHBondContact O-N 2.87Å; K1107-E1111 WeakPolarHBondContact CE-OE1 3.46Å; K1107-E1111 WeakPolarHBondContact CE-OE2 3.37Å; K1107-E1111 HydrophobicContact CG-CG 4.27Å; K1107-E1111 IonicContact NZ-OE1 3.77Å; K1107-E1111 IonicContact NZ-OE2 3.63Å; K1107-E1111 WeakPolarHBondContact O-CB 3.49Å; K1107-E1111 PolarHBondContact O-N 3.31Å
1108	Y	92.8	Very high	91.8	Very high	43 Å²	43	39.3 Å²	39.3	17%	0.169	20%	0.197	C	C	.	.	H	α-helix	trans	-55.6	-46.4	173.4	172.5	-87.8	0	0	0	111.4	I1034 I1077 A1087 D1105 L1110 N1112 Q1113	I1034-Y1108 HydrophobicContact CD1-CE1 3.95Å; I1077-Y1108 HydrophobicContact CB-CD1 3.71Å; I1077-Y1108 HydrophobicContact CB-CE1 4.01Å; I1077-Y1108 HydrophobicContact CB-CG 4.11Å; I1077-Y1108 HydrophobicContact CG1-CD1 3.71Å; I1077-Y1108 HydrophobicContact CG1-CE1 3.44Å; I1077-Y1108 VanDerWaalsContact CG1-CE1 3.44Å; I1077-Y1108 HydrophobicContact CG1-CE2 4.31Å; I1077-Y1108 HydrophobicContact CG1-CG 4.29Å; I1077-Y1108 HydrophobicContact CG2-CD1 3.94Å; I1077-Y1108 HydrophobicContact CG2-CD2 4.16Å; I1077-Y1108 HydrophobicContact CG2-CE1 4.46Å; I1077-Y1108 HydrophobicContact CG2-CG 3.78Å; A1087-Y1108 HydrophobicContact CB-CE2 4.18Å; D1105-Y1108 WeakPolarHBondContact O-CB 3.36Å; D1105-Y1108 PolarHBondContact O-N 2.95Å; D1105-Y1108 PolarHBondContact OD1-N 2.83Å; Y1108-L1110 PolarHBondContact O-N 2.85Å; Y1108-N1112 HydrophobicContact CD2-CB 4.06Å; Y1108-N1112 HydrophobicContact CE1-CB 4.47Å; Y1108-N1112 HydrophobicContact CE2-CB 3.89Å; Y1108-N1112 HydrophobicContact CG-CB 4.44Å; Y1108-N1112 WeakPolarHBondContact O-CA 3.44Å; Y1108-N1112 VanDerWaalsContact O-CB 3.23Å; Y1108-N1112 WeakPolarHBondContact O-CB 3.44Å; Y1108-N1112 PolarHBondContact O-N 2.91Å; Y1108-N1112 PolarHBondContact O-OD1 3.17Å; Y1108-Q1113 HydrophobicContact CE1-CG 4.03Å
1109	Y	94.8	Very high	92.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-65.6	-40.9	178.9	-74.2	-87.2	0	0	0	112.1	L1032 I1034 V1076 I1077 I1104 D1105 T1106 K1107 Q1113 L1114	L1032-Y1109 HydrophobicContact CB-CE1 3.89Å; L1032-Y1109 HydrophobicContact CD2-CD1 4Å; L1032-Y1109 HydrophobicContact CD2-CE1 4.15Å; L1032-Y1109 HydrophobicContact CD2-CG 4.32Å; L1032-Y1109 WeakPolarHBondContact O-CE1 3.45Å; L1032-Y1109 VanDerWaalsContact O-CZ 3.29Å; L1032-Y1109 PolarHBondContact O-OH 2.91Å; I1034-Y1109 HydrophobicContact CD1-CE1 4.18Å; I1034-Y1109 HydrophobicContact CG1-CE1 4.43Å; V1076-Y1109 WeakPolarHBondContact CA-OH 2.95Å; I1077-Y1109 HydrophobicContact CB-CE2 4.17Å; I1077-Y1109 PolarHBondContact N-OH 2.77Å; I1077-Y1109 VanDerWaalsContact N-OH 3.12Å; I1104-Y1109 HydrophobicContact CG2-CD2 3.87Å; I1104-Y1109 HydrophobicContact CG2-CE2 3.64Å; D1105-Y1109 WeakPolarHBondContact O-CD2 3.49Å; D1105-Y1109 PolarHBondContact O-N 3.27Å; T1106-Y1109 PolarHBondContact O-N 2.89Å; K1107-Y1109 VanDerWaalsContact C-N 3.31Å; K1107-Y1109 PolarHBondContact O-N 3.31Å; Y1109-Q1113 HydrophobicContact CD1-CB 4.3Å; Y1109-Q1113 HydrophobicContact CD1-CG 3.95Å; Y1109-Q1113 HydrophobicContact CE1-CG 4.49Å; Y1109-Q1113 CarbonylContact O-C 3.53Å; Y1109-Q1113 WeakPolarHBondContact O-CA 3.37Å; Y1109-Q1113 VanDerWaalsContact O-CB 3.24Å; Y1109-Q1113 WeakPolarHBondContact O-CB 3.41Å; Y1109-Q1113 PolarHBondContact O-N 2.92Å; Y1109-Q1113 VanDerWaalsContact O-N 3.12Å; Y1109-L1114 PolarHBondContact O-N 2.85Å
1110	L	94	Very high	92.4	Very high	23 Å²	23	36.2 Å²	36.2	12%	0.12	18%	0.18	C	C	.	.	I	π-helix	trans	-63.4	-49.9	176.2	-179.4	58.1	0	0	0	112	I1019 L1022 L1023 T1106 K1107 Y1108 A1115 L1136	I1019-L1110 HydrophobicContact CD1-CD1 4.1Å; I1019-L1110 HydrophobicContact CG1-CD1 3.99Å; I1019-L1110 HydrophobicContact CG2-CD1 3.93Å; I1019-L1110 HydrophobicContact CG2-CD2 4.46Å; L1022-L1110 HydrophobicContact CD2-CB 4.37Å; L1023-L1110 HydrophobicContact CD2-CD2 4.36Å; T1106-L1110 WeakPolarHBondContact O-CB 3.4Å; T1106-L1110 PolarHBondContact O-N 3.04Å; K1107-L1110 PolarHBondContact O-N 2.87Å; Y1108-L1110 PolarHBondContact O-N 2.85Å; L1110-A1115 VanDerWaalsContact O-CB 3.26Å; L1110-A1115 WeakPolarHBondContact O-CB 3.39Å; L1110-A1115 PolarHBondContact O-N 2.95Å; L1110-L1136 HydrophobicContact CD1-CD2 4.11Å
1111	E	92.6	Very high	92.6	Very high	100 Å²	100	34 Å²	34	47%	0.467	17%	0.169	S	C	.	.	I	π-helix	trans	-80.3	-42.5	-172.5	-66.8	-178.1	170	0	0	113.3	K1107	K1107-E1111 WeakPolarHBondContact CE-OE1 3.46Å; K1107-E1111 WeakPolarHBondContact CE-OE2 3.37Å; K1107-E1111 HydrophobicContact CG-CG 4.27Å; K1107-E1111 IonicContact NZ-OE1 3.77Å; K1107-E1111 IonicContact NZ-OE2 3.63Å; K1107-E1111 WeakPolarHBondContact O-CB 3.49Å; K1107-E1111 PolarHBondContact O-N 3.31Å
1112	N	91.7	Very high	93	Very high	82 Å²	82	32 Å²	32	44%	0.439	16%	0.159	S	C	.	.	I	π-helix	trans	-98.3	-20.6	-173.2	-61.8	80.6	0	0	0	114	Y1108	Y1108-N1112 HydrophobicContact CD2-CB 4.06Å; Y1108-N1112 HydrophobicContact CE1-CB 4.47Å; Y1108-N1112 HydrophobicContact CE2-CB 3.89Å; Y1108-N1112 HydrophobicContact CG-CB 4.44Å; Y1108-N1112 WeakPolarHBondContact O-CA 3.44Å; Y1108-N1112 VanDerWaalsContact O-CB 3.23Å; Y1108-N1112 WeakPolarHBondContact O-CB 3.44Å; Y1108-N1112 PolarHBondContact O-N 2.91Å; Y1108-N1112 PolarHBondContact O-OD1 3.17Å
1113	Q	92.2	Very high	93.1	Very high	11 Å²	11	35 Å²	35	5%	0.051	17%	0.172	C	C	.	.	I	π-helix	trans	-111.4	-40.6	-177.5	-65.4	-77.7	-74.4	0	0	112.9	N987 V991 I1034 Y1108 Y1109 P1117	N987-Q1113 PolarHBondContact OD1-NE2 3.36Å; N987-Q1113 VanDerWaalsContact OD1-NE2 3.07Å; N987-Q1113 PolarHBondContact OD1-OE1 3.48Å; V991-Q1113 WeakPolarHBondContact CG1-O 3.39Å; V991-Q1113 HydrophobicContact CG2-CB 3.79Å; V991-Q1113 WeakPolarHBondContact CG2-O 3.36Å; I1034-Q1113 HydrophobicContact CD1-CG 4.4Å; Y1108-Q1113 HydrophobicContact CE1-CG 4.03Å; Y1109-Q1113 HydrophobicContact CD1-CB 4.3Å; Y1109-Q1113 HydrophobicContact CD1-CG 3.95Å; Y1109-Q1113 HydrophobicContact CE1-CG 4.49Å; Y1109-Q1113 CarbonylContact O-C 3.53Å; Y1109-Q1113 WeakPolarHBondContact O-CA 3.37Å; Y1109-Q1113 VanDerWaalsContact O-CB 3.24Å; Y1109-Q1113 WeakPolarHBondContact O-CB 3.41Å; Y1109-Q1113 PolarHBondContact O-N 2.92Å; Y1109-Q1113 VanDerWaalsContact O-N 3.12Å; Q1113-P1117 WeakPolarHBondContact O-CD 3.46Å; Q1113-P1117 VanDerWaalsContact O-CG 3.22Å; Q1113-P1117 WeakPolarHBondContact O-CG 3.48Å
1114	L	94.8	Very high	93.1	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	18%	0.176	C	C	.	.	I	π-helix	trans	-99.7	-39.3	-174.1	-59.8	-179.4	0	0	0	114.5	L990 V991 L994 I1019 L1022 Y1109 P1117 L1118	L990-L1114 HydrophobicContact CD2-CD1 4.15Å; L990-L1114 HydrophobicContact CD2-CD2 4.23Å; L990-L1114 HydrophobicContact CG-CD2 4.2Å; V991-L1114 HydrophobicContact CB-CD2 4.42Å; V991-L1114 HydrophobicContact CG2-CD2 3.93Å; L994-L1114 HydrophobicContact CD2-CD1 4.44Å; L994-L1114 HydrophobicContact CD2-CD2 3.85Å; I1019-L1114 HydrophobicContact CG1-CD1 4.45Å; L1022-L1114 HydrophobicContact CD2-CD1 3.63Å; Y1109-L1114 PolarHBondContact O-N 2.85Å; L1114-P1117 WeakPolarHBondContact O-CD 3.49Å; L1114-L1118 HydrophobicContact CB-CD1 4.17Å; L1114-L1118 VanDerWaalsContact O-CB 3.28Å; L1114-L1118 WeakPolarHBondContact O-CB 3.27Å; L1114-L1118 VanDerWaalsContact O-CG 3.25Å; L1114-L1118 WeakPolarHBondContact O-CG 3.49Å; L1114-L1118 PolarHBondContact O-N 2.9Å
1115	A	94.6	Very high	93	Very high	9 Å²	9	36.8 Å²	36.8	7%	0.074	18%	0.182	C	C	.	.	H	α-helix	trans	-58.8	-56.3	-171.7	0	0	0	0	0	113.1	L1110 L1118 L1119 L1136	L1110-A1115 VanDerWaalsContact O-CB 3.26Å; L1110-A1115 WeakPolarHBondContact O-CB 3.39Å; L1110-A1115 PolarHBondContact O-N 2.95Å; A1115-L1118 PolarHBondContact O-N 2.92Å; A1115-L1119 WeakPolarHBondContact O-CB 3.2Å; A1115-L1119 WeakPolarHBondContact O-CG 2.92Å; A1115-L1119 PolarHBondContact O-N 2.86Å; A1115-L1136 HydrophobicContact CB-CD1 3.65Å; A1115-L1136 HydrophobicContact CB-CD2 4.05Å
1116	N	92.9	Very high	92.8	Very high	97 Å²	97	37.5 Å²	37.5	52%	0.519	19%	0.186	S	C	.	.	H	α-helix	trans	-63.3	-44.6	-177.6	-69.8	-19.5	0	0	0	112.9	R1120	N1116-R1120 VanDerWaalsContact O-CB 3.27Å; N1116-R1120 WeakPolarHBondContact O-CB 3.4Å; N1116-R1120 PolarHBondContact O-N 3.35Å
1117	P	93	Very high	92.6	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.032	20%	0.195	C	C	.	.	H	α-helix	trans	-62.3	-42	175.7	-29.2	40.3	0	0	0	113.7	E981 V991 I995 Q1113 L1114 R1120 I1121	E981-P1117 HydrophobicContact CB-CB 4.3Å; E981-P1117 HydrophobicContact CG-CB 3.77Å; E981-P1117 HydrophobicContact CG-CG 3.56Å; V991-P1117 HydrophobicContact CG1-CB 4Å; V991-P1117 HydrophobicContact CG1-CG 3.85Å; I995-P1117 HydrophobicContact CD1-CB 3.77Å; I995-P1117 HydrophobicContact CG1-CB 3.99Å; Q1113-P1117 WeakPolarHBondContact O-CD 3.46Å; Q1113-P1117 VanDerWaalsContact O-CG 3.22Å; Q1113-P1117 WeakPolarHBondContact O-CG 3.48Å; L1114-P1117 WeakPolarHBondContact O-CD 3.49Å; P1117-R1120 PolarHBondContact O-N 3.29Å; P1117-I1121 PolarHBondContact O-N 3.11Å
1118	L	95.2	Very high	92.5	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-65.3	-49	177.6	-76.6	171.4	0	0	0	111.6	L994 I995 A1015 I1019 L1114 A1115 R1120 I1121 F1122 L1135	L994-L1118 HydrophobicContact CD2-CD1 4Å; L994-L1118 HydrophobicContact CD2-CD2 3.91Å; L994-L1118 HydrophobicContact CD2-CG 4.18Å; L994-L1118 HydrophobicContact CG-CD2 4.17Å; I995-L1118 HydrophobicContact CD1-CD2 3.97Å; I995-L1118 HydrophobicContact CD1-CG 4.25Å; A1015-L1118 HydrophobicContact CB-CD2 3.97Å; I1019-L1118 HydrophobicContact CD1-CD1 4.09Å; L1114-L1118 HydrophobicContact CB-CD1 4.17Å; L1114-L1118 VanDerWaalsContact O-CB 3.28Å; L1114-L1118 WeakPolarHBondContact O-CB 3.27Å; L1114-L1118 VanDerWaalsContact O-CG 3.25Å; L1114-L1118 WeakPolarHBondContact O-CG 3.49Å; L1114-L1118 PolarHBondContact O-N 2.9Å; A1115-L1118 PolarHBondContact O-N 2.92Å; L1118-R1120 PolarHBondContact O-N 2.89Å; L1118-I1121 HydrophobicContact CD2-CD1 4.42Å; L1118-I1121 WeakPolarHBondContact O-CG1 3.38Å; L1118-I1121 PolarHBondContact O-N 3.33Å; L1118-F1122 HydrophobicContact CD2-CD2 4.46Å; L1118-F1122 HydrophobicContact CD2-CE2 4.11Å; L1118-F1122 WeakPolarHBondContact O-CD2 3.47Å; L1118-F1122 PolarHBondContact O-N 3.03Å; L1118-L1135 HydrophobicContact CB-CD1 4.34Å
1119	L	94.6	Very high	92.3	Very high	19 Å²	19	42.1 Å²	42.1	10%	0.099	23%	0.226	C	C	.	.	H	α-helix	trans	-56.6	-42.2	177.3	-73.8	176.9	0	0	0	110.8	A1115 I1121 F1122 E1123 A1131 K1132 L1136	A1115-L1119 WeakPolarHBondContact O-CB 3.2Å; A1115-L1119 WeakPolarHBondContact O-CG 2.92Å; A1115-L1119 PolarHBondContact O-N 2.86Å; L1119-I1121 VanDerWaalsContact C-N 3.32Å; L1119-I1121 PolarHBondContact O-N 3.46Å; L1119-F1122 PolarHBondContact O-N 2.95Å; L1119-E1123 HydrophobicContact CB-CG 4.49Å; L1119-E1123 WeakPolarHBondContact O-CA 3.46Å; L1119-E1123 WeakPolarHBondContact O-CB 3.17Å; L1119-E1123 WeakPolarHBondContact O-CG 3.37Å; L1119-E1123 PolarHBondContact O-N 3.39Å; L1119-A1131 HydrophobicContact CD2-CB 3.99Å; L1119-K1132 HydrophobicContact CD2-CB 3.88Å; L1119-L1136 HydrophobicContact CD1-CD1 4.15Å; L1119-L1136 HydrophobicContact CG-CD1 4.37Å
1120	R	91.3	Very high	92.2	Very high	54 Å²	54	47.8 Å²	47.8	20%	0.204	25%	0.251	C	S	.	.	H	α-helix	trans	-60.6	-36.2	-179.8	-168.6	179.8	-60.8	131.4	4.4	114.3	I956 R960 E981 N1116 P1117 L1118 P1124	I956-R1120 HydrophobicContact CB-CG 4.44Å; I956-R1120 HydrophobicContact CD1-CG 4.14Å; I956-R1120 HydrophobicContact CG2-CG 3.25Å; R960-R1120 VanDerWaalsContact NH1-NH1 3.16Å; E981-R1120 IonicContact OE1-CZ 2.75Å; E981-R1120 IonicContact OE1-NH1 2.97Å; E981-R1120 PolarHBondContact OE1-NH1 3.43Å; E981-R1120 IonicContact OE1-NH2 3.65Å; E981-R1120 IonicContact OE2-NH1 3.9Å; E981-R1120 PolarHBondContact OE2-NH1 3.21Å; N1116-R1120 VanDerWaalsContact O-CB 3.27Å; N1116-R1120 WeakPolarHBondContact O-CB 3.4Å; N1116-R1120 PolarHBondContact O-N 3.35Å; P1117-R1120 PolarHBondContact O-N 3.29Å; L1118-R1120 PolarHBondContact O-N 2.89Å; R1120-P1124 WeakPolarHBondContact O-CD 3.46Å
1121	I	93.3	Very high	92	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-82.5	-31.5	178	60.9	166.2	0	0	0	112.7	L954 I956 I995 C998 L999 P1117 L1118 L1119 I1125	L954-I1121 HydrophobicContact CD2-CB 4.3Å; L954-I1121 HydrophobicContact CD2-CG2 4.39Å; I956-I1121 HydrophobicContact CD1-CG2 4.49Å; I995-I1121 HydrophobicContact CD1-CD1 3.78Å; I995-I1121 HydrophobicContact CD1-CG1 4.29Å; I995-I1121 HydrophobicContact CG2-CD1 4.48Å; I995-I1121 HydrophobicContact CG2-CG2 4.19Å; C998-I1121 HydrophobicContact CB-CD1 3.68Å; L999-I1121 HydrophobicContact CD2-CG2 4.26Å; P1117-I1121 PolarHBondContact O-N 3.11Å; L1118-I1121 HydrophobicContact CD2-CD1 4.42Å; L1118-I1121 WeakPolarHBondContact O-CG1 3.38Å; L1118-I1121 PolarHBondContact O-N 3.33Å; L1119-I1121 VanDerWaalsContact C-N 3.32Å; L1119-I1121 PolarHBondContact O-N 3.46Å; I1121-I1125 WeakPolarHBondContact O-CD1 3.31Å
1122	F	94.5	Very high	92	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-94.4	-24.3	-175.1	-78.3	-75.2	0	0	0	114	C998 I1002 A1011 I1012 L1118 L1119 I1125 L1126 A1131 L1135	C998-F1122 HydrophobicContact CB-CE2 4.44Å; C998-F1122 HydrophobicContact CB-CZ 4.45Å; I1002-F1122 HydrophobicContact CD1-CE1 3.97Å; I1002-F1122 HydrophobicContact CD1-CZ 4.1Å; A1011-F1122 HydrophobicContact CB-CE1 4.06Å; A1011-F1122 HydrophobicContact CB-CZ 3.7Å; I1012-F1122 HydrophobicContact CD1-CE1 4.48Å; I1012-F1122 HydrophobicContact CG1-CD1 4.11Å; I1012-F1122 HydrophobicContact CG1-CE1 3.57Å; I1012-F1122 HydrophobicContact CG1-CZ 4.06Å; L1118-F1122 HydrophobicContact CD2-CD2 4.46Å; L1118-F1122 HydrophobicContact CD2-CE2 4.11Å; L1118-F1122 WeakPolarHBondContact O-CD2 3.47Å; L1118-F1122 PolarHBondContact O-N 3.03Å; L1119-F1122 PolarHBondContact O-N 2.95Å; F1122-I1125 PolarHBondContact O-N 3.45Å; F1122-L1126 HydrophobicContact CB-CD1 4.24Å; F1122-L1126 HydrophobicContact CD1-CD1 3.91Å; F1122-L1126 HydrophobicContact CD1-CG 4.47Å; F1122-L1126 HydrophobicContact CG-CD1 4.43Å; F1122-L1126 PolarHBondContact O-N 2.77Å; F1122-A1131 HydrophobicContact CB-CB 4.01Å; F1122-L1135 HydrophobicContact CB-CD1 3.82Å; F1122-L1135 HydrophobicContact CD2-CD1 3.4Å; F1122-L1135 HydrophobicContact CD2-CD2 4.25Å; F1122-L1135 HydrophobicContact CD2-CG 4.45Å; F1122-L1135 HydrophobicContact CE2-CD1 4.1Å; F1122-L1135 HydrophobicContact CE2-CD2 4.12Å; F1122-L1135 HydrophobicContact CG-CD1 3.72Å
1123	E	93.1	Very high	92.1	Very high	74 Å²	74	46.1 Å²	46.1	35%	0.346	24%	0.244	S	C	.	.	H	α-helix	trans	-54.6	-47.9	176.8	-90	169.6	-165.5	0	0	112.6	L1119 I1125 G1127 E1128	L1119-E1123 HydrophobicContact CB-CG 4.49Å; L1119-E1123 WeakPolarHBondContact O-CA 3.46Å; L1119-E1123 WeakPolarHBondContact O-CB 3.17Å; L1119-E1123 WeakPolarHBondContact O-CG 3.37Å; L1119-E1123 PolarHBondContact O-N 3.39Å; E1123-I1125 PolarHBondContact O-N 3.28Å; E1123-I1125 VanDerWaalsContact O-N 3.14Å; E1123-G1127 VanDerWaalsContact O-CA 3.24Å; E1123-G1127 WeakPolarHBondContact O-CA 3.38Å; E1123-G1127 PolarHBondContact O-N 2.97Å; E1123-E1128 HydrophobicContact CG-CB 4.2Å; E1123-E1128 HydrophobicContact CG-CG 4.5Å
1124	P	90.2	Very high	92.1	Very high	43 Å²	43	47.5 Å²	47.5	28%	0.279	25%	0.254	S	S	.	.	H	α-helix	trans	-65.4	-15.4	177.6	-22.9	36.1	0	0	0	114.3	L954 R1120	L954-P1124 HydrophobicContact CD1-CB 3.9Å; L954-P1124 HydrophobicContact CD1-CG 4.02Å; R1120-P1124 WeakPolarHBondContact O-CD 3.46Å
1125	I	90.1	Very high	92.1	Very high	44 Å²	44	47.5 Å²	47.5	23%	0.226	25%	0.253	C	S	.	.	H	α-helix	trans	-101.2	-44.9	-175.7	-56.1	173.1	0	0	0	111.2	F732 I1002 P1008 I1121 F1122 E1123	F732-I1125 HydrophobicContact CB-CG1 4.03Å; F732-I1125 HydrophobicContact CD2-CG1 4.4Å; F732-I1125 HydrophobicContact CG-CG1 4.09Å; I1002-I1125 HydrophobicContact CD1-CD1 3.94Å; I1002-I1125 HydrophobicContact CG1-CD1 4.33Å; I1002-I1125 HydrophobicContact CG2-CD1 3.76Å; P1008-I1125 HydrophobicContact CB-CG2 4.21Å; P1008-I1125 HydrophobicContact CG-CG2 4.23Å; I1121-I1125 WeakPolarHBondContact O-CD1 3.31Å; F1122-I1125 PolarHBondContact O-N 3.45Å; E1123-I1125 PolarHBondContact O-N 3.28Å; E1123-I1125 VanDerWaalsContact O-N 3.14Å
1126	L	89.7	Confident	92	Very high	36 Å²	36	48.4 Å²	48.4	19%	0.188	26%	0.257	C	S	.	.	H	α-helix	trans	-108.6	-18.4	-171.5	-59.1	176.4	0	0	0	113.6	I1012 F1122 K1130 A1131	I1012-L1126 HydrophobicContact CD1-CD1 3.65Å; I1012-L1126 HydrophobicContact CD1-CD2 4.4Å; I1012-L1126 HydrophobicContact CG1-CD1 4.25Å; F1122-L1126 HydrophobicContact CB-CD1 4.24Å; F1122-L1126 HydrophobicContact CD1-CD1 3.91Å; F1122-L1126 HydrophobicContact CD1-CG 4.47Å; F1122-L1126 HydrophobicContact CG-CD1 4.43Å; F1122-L1126 PolarHBondContact O-N 2.77Å; L1126-K1130 HydrophobicContact CB-CB 4.27Å; L1126-K1130 HydrophobicContact CB-CD 4.28Å; L1126-K1130 HydrophobicContact CB-CG 4.34Å; L1126-K1130 WeakPolarHBondContact O-CB 3.43Å; L1126-A1131 HydrophobicContact CB-CB 4.39Å
1127	G	89	Confident	91.9	Very high	33 Å²	33	48.3 Å²	48.3	34%	0.34	26%	0.256	S	S	.	.			trans	81.8	153.9	-164	0	0	0	0	0	113	E1123 V1129 K1130 A1131	E1123-G1127 VanDerWaalsContact O-CA 3.24Å; E1123-G1127 WeakPolarHBondContact O-CA 3.38Å; E1123-G1127 PolarHBondContact O-N 2.97Å; G1127-V1129 PolarHBondContact O-N 3.26Å; G1127-K1130 PolarHBondContact O-N 3.08Å; G1127-A1131 VanDerWaalsContact O-CB 3.3Å; G1127-A1131 WeakPolarHBondContact O-CB 3.13Å; G1127-A1131 PolarHBondContact O-N 3.36Å
1128	E	88.1	Confident	91.7	Very high	129 Å²	129	49.5 Å²	49.5	60%	0.603	27%	0.269	S	S	*	.	H	α-helix	trans	-55.5	-52.8	-173.5	-174.5	-173.8	168.7	0	0	113.8	E1123 K1130 A1131 K1132	E1123-E1128 HydrophobicContact CG-CB 4.2Å; E1123-E1128 HydrophobicContact CG-CG 4.5Å; E1128-K1130 PolarHBondContact O-N 3.17Å; E1128-A1131 PolarHBondContact O-N 3.03Å; E1128-K1132 WeakPolarHBondContact O-CB 3.29Å; E1128-K1132 PolarHBondContact O-N 3.02Å
1129	V	89.5	Confident	91.5	Very high	122 Å²	122	57.1 Å²	57.1	74%	0.739	31%	0.305	S	S	*	.	H	α-helix	trans	-61.9	-45.7	-176.2	-178.7	0	0	0	0	110.8	G1127 S1133	G1127-V1129 PolarHBondContact O-N 3.26Å; V1129-S1133 VanDerWaalsContact O-CB 3.31Å; V1129-S1133 WeakPolarHBondContact O-CB 3.46Å; V1129-S1133 PolarHBondContact O-N 3.35Å; V1129-S1133 PolarHBondContact O-OG 2.98Å
1130	K	90.8	Very high	91.4	Very high	120 Å²	120	57.5 Å²	57.5	52%	0.522	31%	0.306	S	S	.	.	H	α-helix	trans	-67.9	-47.7	-178.8	-169.5	175.9	179.6	-177.6	0	110.8	L1126 G1127 E1128 K1132 S1133 V1134	L1126-K1130 HydrophobicContact CB-CB 4.27Å; L1126-K1130 HydrophobicContact CB-CD 4.28Å; L1126-K1130 HydrophobicContact CB-CG 4.34Å; L1126-K1130 WeakPolarHBondContact O-CB 3.43Å; G1127-K1130 PolarHBondContact O-N 3.08Å; E1128-K1130 PolarHBondContact O-N 3.17Å; K1130-K1132 PolarHBondContact O-N 3.06Å; K1130-S1133 PolarHBondContact O-N 2.87Å; K1130-S1133 PolarHBondContact O-OG 2.9Å; K1130-V1134 HydrophobicContact CG-CG2 4.19Å; K1130-V1134 WeakPolarHBondContact O-CB 3.31Å; K1130-V1134 VanDerWaalsContact O-CG2 3.3Å; K1130-V1134 WeakPolarHBondContact O-CG2 3.42Å; K1130-V1134 PolarHBondContact O-N 3.23Å
1131	A	91.5	Very high	91.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-56	-48.9	178.2	0	0	0	0	0	111.7	L1119 F1122 L1126 G1127 E1128 V1134 L1135	L1119-A1131 HydrophobicContact CD2-CB 3.99Å; F1122-A1131 HydrophobicContact CB-CB 4.01Å; L1126-A1131 HydrophobicContact CB-CB 4.39Å; G1127-A1131 VanDerWaalsContact O-CB 3.3Å; G1127-A1131 WeakPolarHBondContact O-CB 3.13Å; G1127-A1131 PolarHBondContact O-N 3.36Å; E1128-A1131 PolarHBondContact O-N 3.03Å; A1131-V1134 PolarHBondContact O-N 3.04Å; A1131-L1135 HydrophobicContact CB-CD1 4.44Å; A1131-L1135 VanDerWaalsContact O-CB 3.29Å; A1131-L1135 WeakPolarHBondContact O-CB 3.17Å; A1131-L1135 WeakPolarHBondContact O-CG 3.45Å; A1131-L1135 PolarHBondContact O-N 3.36Å
1132	K	92.3	Very high	91.2	Very high	111 Å²	111	66.3 Å²	66.3	48%	0.483	34%	0.344	S	S	.	.	H	α-helix	trans	-64	-43	178.6	-170.4	174	-175.5	172.8	0	113	L1119 E1128 K1130 L1136 N1137	L1119-K1132 HydrophobicContact CD2-CB 3.88Å; E1128-K1132 WeakPolarHBondContact O-CB 3.29Å; E1128-K1132 PolarHBondContact O-N 3.02Å; K1130-K1132 PolarHBondContact O-N 3.06Å; K1132-L1136 HydrophobicContact CG-CD1 4.29Å; K1132-L1136 PolarHBondContact O-N 3.44Å; K1132-N1137 PolarHBondContact O-ND2 3.19Å
1133	S	92.6	Very high	90.9	Very high	58 Å²	58	70.9 Å²	70.9	41%	0.406	37%	0.372	S	S	.	.	H	α-helix	trans	-66.3	-38.3	-179.7	69.6	0	0	0	0	112.8	V1129 K1130 N1137	V1129-S1133 VanDerWaalsContact O-CB 3.31Å; V1129-S1133 WeakPolarHBondContact O-CB 3.46Å; V1129-S1133 PolarHBondContact O-N 3.35Å; V1129-S1133 PolarHBondContact O-OG 2.98Å; K1130-S1133 PolarHBondContact O-N 2.87Å; K1130-S1133 PolarHBondContact O-OG 2.9Å; S1133-N1137 CarbonylContact O-C 3.59Å
1134	V	93.3	Very high	90.6	Very high	41 Å²	41	74.4 Å²	74.4	25%	0.248	39%	0.386	C	S	.	.	H	α-helix	trans	-84.3	-37.8	-174.6	175	0	0	0	0	112	I1012 Q1016 K1130 A1131 H1140	I1012-V1134 HydrophobicContact CD1-CG1 4.41Å; I1012-V1134 HydrophobicContact CG2-CG1 3.43Å; I1012-V1134 VanDerWaalsContact CG2-CG1 3.43Å; Q1016-V1134 PolarHBondContact NE2-O 2.94Å; K1130-V1134 HydrophobicContact CG-CG2 4.19Å; K1130-V1134 WeakPolarHBondContact O-CB 3.31Å; K1130-V1134 VanDerWaalsContact O-CG2 3.3Å; K1130-V1134 WeakPolarHBondContact O-CG2 3.42Å; K1130-V1134 PolarHBondContact O-N 3.23Å; A1131-V1134 PolarHBondContact O-N 3.04Å; V1134-H1140 PolarHBondContact O-CE1 2.9Å
1135	L	93.6	Very high	90.3	Very high	0 Å²	0	74.6 Å²	74.6	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-86.2	-42.1	-174.5	-65.8	165.4	0	0	0	112.6	I1012 A1015 I1019 L1118 F1122 A1131 H1140	I1012-L1135 HydrophobicContact CB-CD2 4.48Å; I1012-L1135 HydrophobicContact CG1-CD2 4.36Å; I1012-L1135 HydrophobicContact CG2-CD2 4.24Å; A1015-L1135 HydrophobicContact CB-CD2 3.89Å; I1019-L1135 VanDerWaalsContact CD1-O 3.24Å; I1019-L1135 WeakPolarHBondContact CD1-O 3.33Å; L1118-L1135 HydrophobicContact CB-CD1 4.34Å; F1122-L1135 HydrophobicContact CB-CD1 3.82Å; F1122-L1135 HydrophobicContact CD2-CD1 3.4Å; F1122-L1135 HydrophobicContact CD2-CD2 4.25Å; F1122-L1135 HydrophobicContact CD2-CG 4.45Å; F1122-L1135 HydrophobicContact CE2-CD1 4.1Å; F1122-L1135 HydrophobicContact CE2-CD2 4.12Å; F1122-L1135 HydrophobicContact CG-CD1 3.72Å; A1131-L1135 HydrophobicContact CB-CD1 4.44Å; A1131-L1135 VanDerWaalsContact O-CB 3.29Å; A1131-L1135 WeakPolarHBondContact O-CB 3.17Å; A1131-L1135 WeakPolarHBondContact O-CG 3.45Å; A1131-L1135 PolarHBondContact O-N 3.36Å; L1135-H1140 PolarHBondContact O-NE2 3.46Å
1136	L	93.5	Very high	89.7	Confident	28 Å²	28	77.5 Å²	77.5	15%	0.147	41%	0.411	C	S	.	.	H	α-helix	trans	-103.1	-8.1	-169.2	-53.7	-176.7	0	0	0	113.8	I1019 L1110 A1115 L1119 K1132	I1019-L1136 HydrophobicContact CD1-CD2 4.49Å; L1110-L1136 HydrophobicContact CD1-CD2 4.11Å; A1115-L1136 HydrophobicContact CB-CD1 3.65Å; A1115-L1136 HydrophobicContact CB-CD2 4.05Å; L1119-L1136 HydrophobicContact CD1-CD1 4.15Å; L1119-L1136 HydrophobicContact CG-CD1 4.37Å; K1132-L1136 HydrophobicContact CG-CD1 4.29Å; K1132-L1136 PolarHBondContact O-N 3.44Å
1137	N	90.3	Very high	89.1	Confident	95 Å²	95	78.2 Å²	78.2	51%	0.508	42%	0.417	S	S	.	.	S	Bend	trans	-132.4	145.7	176.5	-55.6	-74.7	0	0	0	109.2	K1132 S1133 H1140	K1132-N1137 PolarHBondContact O-ND2 3.19Å; S1133-N1137 CarbonylContact O-C 3.59Å; N1137-H1140 PolarHBondContact O-CE1 2.93Å; N1137-H1140 VanDerWaalsContact O-CE1 3.31Å
1138	G	90	Very high	88.6	Confident	30 Å²	30	84.1 Å²	84.1	31%	0.309	44%	0.435	S	S	.	.	S	Bend	trans	144.1	-175.8	179.6	0	0	0	0	0	112.8	H1140 T1141	G1138-H1140 VanDerWaalsContact C-N 3.26Å; G1138-H1140 PolarHBondContact O-N 2.77Å; G1138-T1141 PolarHBondContact N-OG1 3.44Å; G1138-T1141 PolarHBondContact O-N 3.46Å; G1138-T1141 VanDerWaalsContact O-N 3.12Å; G1138-T1141 PolarHBondContact O-OG1 2.96Å
1139	E	90.1	Very high	88.2	Confident	162 Å²	162	79.4 Å²	79.4	76%	0.757	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-58	-38.5	-178.7	-172.7	171.8	-178.3	0	0	112.6	T1141 R1142	E1139-T1141 PolarHBondContact O-N 3.42Å; E1139-R1142 PolarHBondContact O-N 2.94Å; E1139-R1142 VanDerWaalsContact O-N 3.13Å
1140	H	92.4	Very high	87.6	Confident	27 Å²	27	77.7 Å²	77.7	13%	0.125	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-63	-12.8	178.3	63.7	-70.2	0	0	0	114.6	Q1016 S1020 V1134 L1135 N1137 G1138	Q1016-H1140 HydrophobicContact CB-CB 4.21Å; S1020-H1140 WeakPolarHBondContact CA-O 3.19Å; V1134-H1140 PolarHBondContact O-CE1 2.9Å; L1135-H1140 PolarHBondContact O-NE2 3.46Å; N1137-H1140 PolarHBondContact O-CE1 2.93Å; N1137-H1140 VanDerWaalsContact O-CE1 3.31Å; G1138-H1140 VanDerWaalsContact C-N 3.26Å; G1138-H1140 PolarHBondContact O-N 2.77Å
1141	T	91.9	Very high	86.9	Confident	40 Å²	40	74.2 Å²	74.2	25%	0.245	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-105.2	-5.3	178.6	63.2	0	0	0	0	114.4	I1019 L1023 G1138 E1139	I1019-T1141 HydrophobicContact CG2-CG2 3.96Å; L1023-T1141 HydrophobicContact CD1-CG2 4.25Å; G1138-T1141 PolarHBondContact N-OG1 3.44Å; G1138-T1141 PolarHBondContact O-N 3.46Å; G1138-T1141 VanDerWaalsContact O-N 3.12Å; G1138-T1141 PolarHBondContact O-OG1 2.96Å; E1139-T1141 PolarHBondContact O-N 3.42Å
1142	R	89.2	Confident	86	Confident	199 Å²	199	76.7 Å²	76.7	75%	0.751	42%	0.421	S	S	*	.	S	Bend	trans	-80.5	-24.3	-172.4	-70.6	-178.8	176.8	162	-2.3	114.1	E1139	E1139-R1142 PolarHBondContact O-N 2.94Å; E1139-R1142 VanDerWaalsContact O-N 3.13Å
1143	V	87.4	Confident	84.9	Confident	97 Å²	97	79.7 Å²	79.7	59%	0.588	44%	0.436	S	S	*	.			trans	-107.3	133.1	-178.2	-176.3	0	0	0	0	109.1
1144	K	86.6	Confident	83.6	Confident	147 Å²	147	83.8 Å²	83.8	64%	0.639	45%	0.453	S	S	*	.			trans	-137.8	145.1	173.9	68.6	175.9	-174.4	174	0	110.9	L1023	L1023-K1144 HydrophobicContact CB-CB 4.41Å; L1023-K1144 CarbonylContact O-C 3.48Å; L1023-K1144 VanDerWaalsContact O-CA 3.31Å; L1023-K1144 WeakPolarHBondContact O-CA 3.4Å
1145	A	83.8	Confident	82.3	Confident	47 Å²	47	83.7 Å²	83.7	39%	0.388	45%	0.454	S	S	.	.			trans	-78.1	145.5	171.8	0	0	0	0	0	110.4	L1023 C1024 N1025	L1023-A1145 PolarHBondContact O-N 2.82Å; C1024-A1145 WeakPolarHBondContact O-CB 3.24Å; N1025-A1145 HydrophobicContact CB-CB 3.98Å
1146	V	77.2	Confident	81.3	Confident	105 Å²	105	87.7 Å²	87.7	64%	0.636	49%	0.487	S	S	*	.			trans	-118.9	113.6	174.3	-178.5	0	0	0	0	107.9
1147	V	78.3	Confident	80.4	Confident	52 Å²	52	95 Å²	95	32%	0.315	52%	0.518	S	S	.	.			trans	-105.8	137.7	178	-176.9	0	0	0	0	108.8	P1103	P1103-V1147 HydrophobicContact CB-CB 4.31Å
1148	H	77.6	Confident	79.6	Confident	157 Å²	157	94.8 Å²	94.8	73%	0.727	52%	0.52	S	S	*	.			trans	-102.6	128.5	176.7	-62.8	-73.5	0	0	0	109.9
1149	S	80.1	Confident	78.8	Confident	30 Å²	30	102.2 Å²	102.2	21%	0.21	54%	0.544	C	S	.	.			trans	-71.3	145.8	176.3	-169.6	0	0	0	0	111.7	H1100 N1101 V1151	H1100-S1149 PolarHBondContact O-OG 2.95Å; N1101-S1149 VanDerWaalsContact O-CA 3.3Å; N1101-S1149 WeakPolarHBondContact O-CA 3.48Å; S1149-V1151 VanDerWaalsContact C-N 3.26Å; S1149-V1151 WeakPolarHBondContact CB-O 3.23Å; S1149-V1151 WeakPolarHBondContact OG-CG2 3.46Å; S1149-V1151 PolarHBondContact OG-N 2.9Å; S1149-V1151 PolarHBondContact OG-O 3.48Å; S1149-V1151 VanDerWaalsContact OG-O 3.12Å
1150	T	77	Confident	77.9	Confident	85 Å²	85	101 Å²	101	52%	0.521	55%	0.547	S	S	.	.	S	Bend	trans	-78.8	-12.7	169.6	57.8	0	0	0	0	112.3	H1100 N1101 S1155	H1100-T1150 WeakPolarHBondContact CA-OG1 3.42Å; H1100-T1150 PolarHBondContact O-N 3.33Å; H1100-T1150 VanDerWaalsContact O-N 3.13Å; H1100-T1150 PolarHBondContact O-OG1 3Å; N1101-T1150 HydrophobicContact CB-CG2 4.47Å; T1150-S1155 PolarHBondContact O-OG 2.85Å
1151	V	76.9	Confident	77.3	Confident	48 Å²	48	105.1 Å²	105.1	29%	0.291	56%	0.562	S	S	.	*	S	Bend	trans	-120.2	156.9	-179.2	-63.6	0	0	0	0	112.1	H1100 V1102 S1149	H1100-V1151 HydrophobicContact CB-CG1 3.98Å; H1100-V1151 HydrophobicContact CB-CG2 3.76Å; H1100-V1151 VanDerWaalsContact CD2-CG1 3.41Å; H1100-V1151 WeakPolarHBondContact CD2-CG1 3.43Å; V1102-V1151 HydrophobicContact CG2-CG2 4.04Å; S1149-V1151 VanDerWaalsContact C-N 3.26Å; S1149-V1151 WeakPolarHBondContact CB-O 3.23Å; S1149-V1151 WeakPolarHBondContact OG-CG2 3.46Å; S1149-V1151 PolarHBondContact OG-N 2.9Å; S1149-V1151 PolarHBondContact OG-O 3.48Å; S1149-V1151 VanDerWaalsContact OG-O 3.12Å
1152	G	71.6	Confident	76.9	Confident	52 Å²	52	104.4 Å²	104.4	54%	0.536	56%	0.559	S	S	.	*	S	Bend	trans	118.4	174.9	175.1	0	0	0	0	0	114.5	L1154 S1155 A1156	G1152-L1154 PolarHBondContact O-N 2.74Å; G1152-S1155 PolarHBondContact N-OG 3.32Å; G1152-S1155 PolarHBondContact O-N 3.32Å; G1152-S1155 PolarHBondContact O-OG 3.41Å; G1152-A1156 PolarHBondContact O-N 3.43Å
1153	Q	69.1	Low	76.8	Confident	174 Å²	174	96.4 Å²	96.4	81%	0.813	53%	0.534	S	S	*	.	H	α-helix	trans	-63.5	-40.1	-175.8	-69	178	-15.2	0	0	112.5	A1156 F1157	Q1153-A1156 WeakPolarHBondContact O-CB 3.03Å; Q1153-A1156 PolarHBondContact O-N 3.43Å; Q1153-F1157 WeakPolarHBondContact O-CD2 3.48Å
1154	L	65.5	Low	77	Confident	144 Å²	144	91.8 Å²	91.8	75%	0.754	51%	0.506	S	S	*	.	H	α-helix	trans	-70	-36.2	-179.9	-78.5	158.7	0	0	0	112.7	G1152 A1156 F1157 T1158	G1152-L1154 PolarHBondContact O-N 2.74Å; L1154-A1156 VanDerWaalsContact C-N 3.26Å; L1154-A1156 PolarHBondContact O-N 3.27Å; L1154-F1157 PolarHBondContact O-N 2.75Å; L1154-T1158 PolarHBondContact O-N 2.91Å; L1154-T1158 VanDerWaalsContact O-N 3.12Å; L1154-T1158 PolarHBondContact O-OG1 3Å
1155	S	65.9	Low	77.2	Confident	39 Å²	39	85 Å²	85	27%	0.273	48%	0.476	S	S	.	.	H	α-helix	trans	-66.2	-31.9	177.4	65.3	0	0	0	0	111.3	T1150 G1152 F1157 T1158	T1150-S1155 PolarHBondContact O-OG 2.85Å; G1152-S1155 PolarHBondContact N-OG 3.32Å; G1152-S1155 PolarHBondContact O-N 3.32Å; G1152-S1155 PolarHBondContact O-OG 3.41Å; S1155-F1157 PolarHBondContact O-N 2.84Å; S1155-T1158 PolarHBondContact O-N 3.48Å; S1155-T1158 VanDerWaalsContact O-N 3.15Å
1156	A	72.5	Confident	77.4	Confident	83 Å²	83	84.4 Å²	84.4	69%	0.686	48%	0.475	S	S	*	.	H	α-helix	trans	-62.4	-27.1	174.1	0	0	0	0	0	114	G1152 Q1153 L1154	G1152-A1156 PolarHBondContact O-N 3.43Å; Q1153-A1156 WeakPolarHBondContact O-CB 3.03Å; Q1153-A1156 PolarHBondContact O-N 3.43Å; L1154-A1156 VanDerWaalsContact C-N 3.26Å; L1154-A1156 PolarHBondContact O-N 3.27Å
1157	F	75.7	Confident	78	Confident	183 Å²	183	81.9 Å²	81.9	80%	0.803	46%	0.462	S	S	*	.	H	α-helix	trans	-98.2	-7.8	175.7	-61.7	-73.6	0	0	0	113.5	Q1153 L1154 S1155 K1159	Q1153-F1157 WeakPolarHBondContact O-CD2 3.48Å; L1154-F1157 PolarHBondContact O-N 2.75Å; S1155-F1157 PolarHBondContact O-N 2.84Å; F1157-K1159 PolarHBondContact O-N 2.9Å
1158	T	73.4	Confident	78.4	Confident	90 Å²	90	87 Å²	87	55%	0.552	48%	0.476	S	S	*	.			trans	-86.3	108.2	-176.6	-58.1	0	0	0	0	109.8	L1154 S1155 V1160	L1154-T1158 PolarHBondContact O-N 2.91Å; L1154-T1158 VanDerWaalsContact O-N 3.12Å; L1154-T1158 PolarHBondContact O-OG1 3Å; S1155-T1158 PolarHBondContact O-N 3.48Å; S1155-T1158 VanDerWaalsContact O-N 3.15Å; T1158-V1160 PolarHBondContact O-N 2.9Å
1159	K	72.6	Confident	78.9	Confident	186 Å²	186	83.4 Å²	83.4	81%	0.809	47%	0.465	S	S	*	.			trans	-77	108.1	171.5	-165.9	171.6	-175.1	175.2	0	109.2	F1157 R1161	F1157-K1159 PolarHBondContact O-N 2.9Å; K1159-R1161 PolarHBondContact O-N 3.37Å
1160	V	71.7	Confident	79.2	Confident	136 Å²	136	87.3 Å²	87.3	82%	0.824	48%	0.482	S	S	*	.			trans	-62.6	118.7	174.7	-177.9	0	0	0	0	108.5	T1158	T1158-V1160 PolarHBondContact O-N 2.9Å
1161	R	79.4	Confident	79.7	Confident	114 Å²	114	83.3 Å²	83.3	43%	0.43	46%	0.458	S	S	.	.			trans	-116	135.9	170	-69.7	-166.8	72.5	175.8	0.1	108.9	K1159 S1163 L1170 L1171	K1159-R1161 PolarHBondContact O-N 3.37Å; R1161-S1163 PolarHBondContact O-N 3.44Å; R1161-L1170 HydrophobicContact CB-CD2 4.15Å; R1161-L1171 PolarHBondContact NH2-O 3.07Å
1162	A	82.4	Confident	80	Confident	24 Å²	24	84 Å²	84	20%	0.198	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-65.2	129.5	176.8	0	0	0	0	0	110.6	L1171 T1176	A1162-L1171 HydrophobicContact CB-CD1 4.01Å; A1162-L1171 VanDerWaalsContact O-CB 3.3Å; A1162-L1171 WeakPolarHBondContact O-CB 3.48Å; A1162-L1171 WeakPolarHBondContact O-CG 3.48Å; A1162-L1171 PolarHBondContact O-N 3.2Å; A1162-T1176 WeakPolarHBondContact CB-O 3.35Å
1163	S	88	Confident	80.4	Confident	32 Å²	32	85.1 Å²	85.1	22%	0.224	47%	0.468	C	S	.	.	B	Isolated β-bridge	trans	-100.8	149.7	169.9	60.7	0	0	0	0	110	R1161 I1165 T1169 R1253	R1161-S1163 PolarHBondContact O-N 3.44Å; S1163-I1165 PolarHBondContact O-N 3.01Å; S1163-T1169 CarbonylContact C-O 3.57Å; S1163-T1169 WeakPolarHBondContact CA-O 3.39Å; S1163-R1253 PolarHBondContact O-NH1 3.07Å; S1163-R1253 PolarHBondContact O-NH2 3.44Å
1164	C	91.9	Very high	80.9	Confident	0 Å²	0	83.2 Å²	83.2	0%	0	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-54	130.3	168.9	175.8	0	0	0	0	110	C1167 R1168 T1169 L1171 A1179 C1181	C1164-C1167 VanDerWaalsContact SG-SG 3.6Å; C1164-R1168 WeakPolarHBondContact O-CA 3.36Å; C1164-R1168 PolarHBondContact O-N 3.47Å; C1164-T1169 WeakPolarHBondContact CB-O 3.4Å; C1164-T1169 PolarHBondContact N-O 3.17Å; C1164-L1171 HydrophobicContact CB-CD2 4.06Å; C1164-A1179 CarbonylContact C-O 3.57Å; C1164-A1179 WeakPolarHBondContact CA-O 3.49Å; C1164-C1181 HydrophobicContact CB-CB 3.99Å; C1164-C1181 PolarHBondContact SG-N 3.33Å
1165	I	89.7	Confident	81.5	Confident	3 Å²	3	79.9 Å²	79.9	2%	0.015	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-43.4	-180	-64.7	172.2	0	0	0	110.8	S1163 A1179 L1180 I1191 E1195 T1250 R1253 F1254	S1163-I1165 PolarHBondContact O-N 3.01Å; I1165-A1179 HydrophobicContact CD1-CB 3.79Å; I1165-A1179 WeakPolarHBondContact CG1-O 3.35Å; I1165-A1179 PolarHBondContact N-O 3.04Å; I1165-L1180 HydrophobicContact CB-CD2 4.16Å; I1165-I1191 HydrophobicContact CB-CG2 4.4Å; I1165-I1191 HydrophobicContact CG2-CG2 3.89Å; I1165-E1195 HydrophobicContact CG2-CG 3.7Å; I1165-T1250 HydrophobicContact CD1-CG2 3.64Å; I1165-T1250 HydrophobicContact CG1-CG2 4.15Å; I1165-T1250 HydrophobicContact CG2-CG2 4.34Å; I1165-R1253 HydrophobicContact CD1-CB 4.3Å; I1165-F1254 HydrophobicContact CB-CZ 4.22Å; I1165-F1254 HydrophobicContact CD1-CD2 4.1Å; I1165-F1254 HydrophobicContact CD1-CE1 4.44Å; I1165-F1254 HydrophobicContact CD1-CE2 3.42Å; I1165-F1254 VanDerWaalsContact CD1-CE2 3.42Å; I1165-F1254 HydrophobicContact CD1-CZ 3.65Å; I1165-F1254 HydrophobicContact CG2-CE2 4.47Å; I1165-F1254 HydrophobicContact CG2-CZ 4.12Å
1166	G	88.4	Confident	81.8	Confident	35 Å²	35	80.8 Å²	80.8	36%	0.361	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-48.1	-178.2	0	0	0	0	0	116
1167	C	89.9	Confident	82.1	Confident	53 Å²	53	83.5 Å²	83.5	36%	0.358	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	1.9	-172.8	68.9	0	0	0	0	114.9	C1164 T1169 C1181 C1184	C1164-C1167 VanDerWaalsContact SG-SG 3.6Å; C1167-T1169 PolarHBondContact O-N 3.5Å; C1167-T1169 PolarHBondContact SG-OG1 3.29Å; C1167-C1181 VanDerWaalsContact SG-SG 3.65Å; C1167-C1184 VanDerWaalsContact SG-SG 3.61Å
1168	R	86.9	Confident	82.4	Confident	160 Å²	160	76.9 Å²	76.9	60%	0.604	43%	0.426	S	S	*	.			trans	60.1	9.6	-179	-50.2	-62.6	177.1	178.9	-7.9	115.7	C1164	C1164-R1168 WeakPolarHBondContact O-CA 3.36Å; C1164-R1168 PolarHBondContact O-N 3.47Å
1169	T	88.3	Confident	83.1	Confident	81 Å²	81	72.9 Å²	72.9	50%	0.497	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-66.7	139	172.5	-59	0	0	0	0	110.5	S1163 C1164 C1167 L1171	S1163-T1169 CarbonylContact C-O 3.57Å; S1163-T1169 WeakPolarHBondContact CA-O 3.39Å; C1164-T1169 WeakPolarHBondContact CB-O 3.4Å; C1164-T1169 PolarHBondContact N-O 3.17Å; C1167-T1169 PolarHBondContact O-N 3.5Å; C1167-T1169 PolarHBondContact SG-OG1 3.29Å; T1169-L1171 PolarHBondContact O-N 3.43Å
1170	L	86.8	Confident	84	Confident	111 Å²	111	64.8 Å²	64.8	58%	0.581	37%	0.367	S	S	*	.	B	Isolated β-bridge	trans	-59.6	134.2	176.5	-70.6	173.4	0	0	0	111.3	R1161	R1161-L1170 HydrophobicContact CB-CD2 4.15Å
1171	L	87.7	Confident	84.9	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.01	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-79.1	143	176.6	-63.6	171.4	0	0	0	110.8	R1161 A1162 C1164 T1169 K1175 S1178 L1180 C1181 R1253	R1161-L1171 PolarHBondContact NH2-O 3.07Å; A1162-L1171 HydrophobicContact CB-CD1 4.01Å; A1162-L1171 VanDerWaalsContact O-CB 3.3Å; A1162-L1171 WeakPolarHBondContact O-CB 3.48Å; A1162-L1171 WeakPolarHBondContact O-CG 3.48Å; A1162-L1171 PolarHBondContact O-N 3.2Å; C1164-L1171 HydrophobicContact CB-CD2 4.06Å; T1169-L1171 PolarHBondContact O-N 3.43Å; L1171-K1175 WeakPolarHBondContact CD1-O 3.48Å; L1171-S1178 WeakPolarHBondContact CD1-O 3.36Å; L1171-L1180 WeakPolarHBondContact CD2-O 3.34Å; L1171-C1181 HydrophobicContact CD2-CB 3.94Å; L1171-R1253 VanDerWaalsContact CD1-NH2 3.33Å
1172	P	83.5	Confident	85.3	Confident	63 Å²	63	60.1 Å²	60.1	41%	0.409	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-50.1	153.4	169.7	-27.3	36.3	0	0	0	112.2	D1174 K1175	P1172-D1174 WeakPolarHBondContact CB-OD1 3.42Å; P1172-D1174 PolarHBondContact O-N 3.11Å; P1172-K1175 CarbonylContact O-C 3.58Å; P1172-K1175 PolarHBondContact O-N 3.22Å
1173	A	78.5	Confident	85.7	Confident	75 Å²	75	67 Å²	67	62%	0.62	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-64.5	-24.3	-175.5	0	0	0	0	0	112.9
1174	D	81.1	Confident	85.9	Confident	134 Å²	134	65.5 Å²	65.5	72%	0.717	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-80.8	-11.4	174.4	57.3	-56.6	0	0	0	113.9	P1172	P1172-D1174 WeakPolarHBondContact CB-OD1 3.42Å; P1172-D1174 PolarHBondContact O-N 3.11Å
1175	K	76.3	Confident	85.7	Confident	73 Å²	73	70.9 Å²	70.9	32%	0.317	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-122.7	32.6	-179.2	-67.8	-158.9	176.4	-163	0	112.7	L1171 P1172 D1177 S1178	L1171-K1175 WeakPolarHBondContact CD1-O 3.48Å; P1172-K1175 CarbonylContact O-C 3.58Å; P1172-K1175 PolarHBondContact O-N 3.22Å; K1175-D1177 PolarHBondContact O-N 3.2Å; K1175-S1178 PolarHBondContact O-N 3.2Å
1176	T	73.9	Confident	85.7	Confident	58 Å²	58	76.1 Å²	76.1	36%	0.356	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-30.4	-178.5	44.8	0	0	0	0	113.4	A1162	A1162-T1176 WeakPolarHBondContact CB-O 3.35Å
1177	D	77	Confident	85.9	Confident	140 Å²	140	79.8 Å²	79.8	75%	0.749	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-10.4	-178.4	-56.6	-26.5	0	0	0	112.6	K1175	K1175-D1177 PolarHBondContact O-N 3.2Å
1178	S	84	Confident	85.9	Confident	44 Å²	44	77.3 Å²	77.3	31%	0.308	40%	0.4	S	S	.	.			trans	-70.3	145.4	179.2	-55.8	0	0	0	0	111.5	L1171 K1175 R1253	L1171-S1178 WeakPolarHBondContact CD1-O 3.36Å; K1175-S1178 PolarHBondContact O-N 3.2Å; S1178-R1253 PolarHBondContact O-NH2 3.43Å
1179	A	88.1	Confident	86.1	Confident	7 Å²	7	72.1 Å²	72.1	6%	0.058	39%	0.389	C	S	.	.	S	Bend	trans	-70.3	-35.7	171.2	0	0	0	0	0	113.2	C1164 I1165 R1253 F1254	C1164-A1179 CarbonylContact C-O 3.57Å; C1164-A1179 WeakPolarHBondContact CA-O 3.49Å; I1165-A1179 HydrophobicContact CD1-CB 3.79Å; I1165-A1179 WeakPolarHBondContact CG1-O 3.35Å; I1165-A1179 PolarHBondContact N-O 3.04Å; A1179-R1253 HydrophobicContact CB-CB 4.09Å; A1179-R1253 WeakPolarHBondContact CB-O 3.26Å; A1179-R1253 PolarHBondContact N-O 2.75Å; A1179-F1254 HydrophobicContact CB-CB 4.35Å; A1179-F1254 HydrophobicContact CB-CD1 3.25Å; A1179-F1254 HydrophobicContact CB-CD2 4.12Å; A1179-F1254 HydrophobicContact CB-CE1 3.55Å; A1179-F1254 HydrophobicContact CB-CE2 4.32Å; A1179-F1254 HydrophobicContact CB-CG 3.63Å; A1179-F1254 HydrophobicContact CB-CZ 4.08Å
1180	L	91.3	Very high	86.3	Confident	15 Å²	15	74 Å²	74	8%	0.079	39%	0.392	C	S	.	.	S	Bend	trans	-130	153.5	-163.8	-58.4	177.3	0	0	0	113.1	I1165 L1171 C1184 A1188 I1191 F1254	I1165-L1180 HydrophobicContact CB-CD2 4.16Å; L1171-L1180 WeakPolarHBondContact CD2-O 3.34Å; L1180-C1184 HydrophobicContact CB-CB 4.13Å; L1180-C1184 HydrophobicContact CD2-CB 4.12Å; L1180-A1188 VanDerWaalsContact CD1-CA 3.45Å; L1180-A1188 HydrophobicContact CD1-CB 3.24Å; L1180-I1191 HydrophobicContact CD1-CD1 4.25Å; L1180-I1191 HydrophobicContact CD2-CD1 3.78Å; L1180-I1191 HydrophobicContact CD2-CG2 4.15Å; L1180-F1254 HydrophobicContact CD1-CE1 3.96Å; L1180-F1254 HydrophobicContact CD2-CE1 3.99Å; L1180-F1254 HydrophobicContact CD2-CZ 4.45Å; L1180-F1254 HydrophobicContact CG-CD1 4.49Å; L1180-F1254 HydrophobicContact CG-CE1 3.89Å
1181	C	90.4	Very high	86.7	Confident	10 Å²	10	69.4 Å²	69.4	7%	0.068	37%	0.367	C	S	.	.			trans	-81.9	163.8	167.4	75	0	0	0	0	110.3	C1164 C1167 L1171 Y1183 C1184 E1185	C1164-C1181 HydrophobicContact CB-CB 3.99Å; C1164-C1181 PolarHBondContact SG-N 3.33Å; C1167-C1181 VanDerWaalsContact SG-SG 3.65Å; L1171-C1181 HydrophobicContact CD2-CB 3.94Å; C1181-Y1183 PolarHBondContact O-N 2.83Å; C1181-C1184 PolarHBondContact O-N 2.91Å; C1181-E1185 PolarHBondContact O-N 2.7Å; C1181-E1185 VanDerWaalsContact O-N 3.09Å
1182	K	87.6	Confident	86.9	Confident	142 Å²	142	71.8 Å²	71.8	62%	0.617	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-28.9	178.5	66.4	-177.4	-174.7	177.2	0	114.9
1183	Y	90.3	Very high	87.4	Confident	169 Å²	169	74.3 Å²	74.3	66%	0.663	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-23.9	-179.8	-57.6	-75.5	0	0	0	113.5	C1181	C1181-Y1183 PolarHBondContact O-N 2.83Å
1184	C	91.4	Very high	88.2	Confident	1 Å²	1	77.6 Å²	77.6	1%	0.007	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-13.9	178	-72.5	0	0	0	0	112.5	C1167 L1180 C1181 S1186 R1187 A1188 I1191	C1167-C1184 VanDerWaalsContact SG-SG 3.61Å; L1180-C1184 HydrophobicContact CB-CB 4.13Å; L1180-C1184 HydrophobicContact CD2-CB 4.12Å; C1181-C1184 PolarHBondContact O-N 2.91Å; C1184-S1186 VanDerWaalsContact C-N 3.27Å; C1184-S1186 PolarHBondContact O-N 3.14Å; C1184-R1187 CarbonylContact O-C 3.6Å; C1184-R1187 WeakPolarHBondContact O-CA 3.36Å; C1184-R1187 PolarHBondContact O-N 3.19Å; C1184-R1187 PolarHBondContact SG-NH2 3.04Å; C1184-R1187 VanDerWaalsContact SG-NH2 3.37Å; C1184-A1188 PolarHBondContact O-N 2.72Å; C1184-I1191 HydrophobicContact CB-CD1 3.87Å
1185	E	87.7	Confident	88.8	Confident	113 Å²	113	72.1 Å²	72.1	53%	0.528	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-57.1	-36.6	-179.2	-163.7	163.6	-168.4	0	0	112.6	C1181 R1187 A1188	C1181-E1185 PolarHBondContact O-N 2.7Å; C1181-E1185 VanDerWaalsContact O-N 3.09Å; E1185-R1187 PolarHBondContact O-N 2.98Å; E1185-A1188 WeakPolarHBondContact O-CB 3.45Å; E1185-A1188 PolarHBondContact O-N 3.46Å
1186	S	90.1	Very high	89.7	Confident	112 Å²	112	70.6 Å²	70.6	78%	0.783	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-66	-20.7	173.5	57.2	0	0	0	0	114.4	C1184	C1184-S1186 VanDerWaalsContact C-N 3.27Å; C1184-S1186 PolarHBondContact O-N 3.14Å
1187	R	92	Very high	90.7	Very high	112 Å²	112	71.9 Å²	71.9	42%	0.423	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-105.1	17.8	177.2	-62.8	-176.8	-64.3	171.4	1.9	112.1	C1184 E1185 S1189 E1190 I1191	C1184-R1187 CarbonylContact O-C 3.6Å; C1184-R1187 WeakPolarHBondContact O-CA 3.36Å; C1184-R1187 PolarHBondContact O-N 3.19Å; C1184-R1187 PolarHBondContact SG-NH2 3.04Å; C1184-R1187 VanDerWaalsContact SG-NH2 3.37Å; E1185-R1187 PolarHBondContact O-N 2.98Å; R1187-S1189 VanDerWaalsContact C-N 3.35Å; R1187-S1189 PolarHBondContact O-N 3.33Å; R1187-E1190 WeakPolarHBondContact O-CB 3.19Å; R1187-E1190 PolarHBondContact O-N 3.16Å; R1187-I1191 HydrophobicContact CB-CD1 4.04Å; R1187-I1191 HydrophobicContact CB-CG1 4.36Å; R1187-I1191 WeakPolarHBondContact O-CG1 3.36Å; R1187-I1191 PolarHBondContact O-N 2.9Å
1188	A	90	Very high	91.5	Very high	2 Å²	2	69.7 Å²	69.7	2%	0.017	34%	0.341	C	S	.	.	H	α-helix	trans	-64	-39.6	-168.3	0	0	0	0	0	113.5	L1180 C1184 E1185 I1191 Y1192 W1259	L1180-A1188 VanDerWaalsContact CD1-CA 3.45Å; L1180-A1188 HydrophobicContact CD1-CB 3.24Å; C1184-A1188 PolarHBondContact O-N 2.72Å; E1185-A1188 WeakPolarHBondContact O-CB 3.45Å; E1185-A1188 PolarHBondContact O-N 3.46Å; A1188-I1191 PolarHBondContact O-N 2.82Å; A1188-Y1192 WeakPolarHBondContact O-CB 3.44Å; A1188-Y1192 PolarHBondContact O-N 3.49Å; A1188-W1259 HydrophobicContact CB-CD2 4.24Å; A1188-W1259 HydrophobicContact CB-CE3 3.35Å; A1188-W1259 HydrophobicContact CB-CH2 3.81Å; A1188-W1259 HydrophobicContact CB-CZ3 3.12Å
1189	S	91.7	Very high	92.1	Very high	51 Å²	51	68 Å²	68	36%	0.357	33%	0.329	S	S	.	.	H	α-helix	trans	-60.7	-44.9	173.6	-179.4	0	0	0	0	112.2	R1187 Y1192 Q1193	R1187-S1189 VanDerWaalsContact C-N 3.35Å; R1187-S1189 PolarHBondContact O-N 3.33Å; S1189-Y1192 PolarHBondContact O-N 2.97Å; S1189-Q1193 WeakPolarHBondContact O-CB 3.4Å; S1189-Q1193 VanDerWaalsContact O-CG 3.22Å; S1189-Q1193 WeakPolarHBondContact O-CG 3.25Å; S1189-Q1193 PolarHBondContact O-N 2.95Å; S1189-Q1193 PolarHBondContact OG-NE2 3.32Å; S1189-Q1193 VanDerWaalsContact OG-NE2 3.15Å
1190	E	93.1	Very high	92.5	Very high	121 Å²	121	71.5 Å²	71.5	57%	0.565	35%	0.347	S	S	*	.	H	α-helix	trans	-60.6	-47.7	177	-175.9	-161.5	151.8	0	0	111.6	R1187 Q1193 K1194	R1187-E1190 WeakPolarHBondContact O-CB 3.19Å; R1187-E1190 PolarHBondContact O-N 3.16Å; E1190-Q1193 PolarHBondContact O-N 3.19Å; E1190-K1194 PolarHBondContact O-N 2.84Å
1191	I	93.8	Very high	92.7	Very high	13 Å²	13	76.2 Å²	76.2	7%	0.067	37%	0.371	C	S	.	.	H	α-helix	trans	-67.1	-43.5	-179.5	-60.3	160.9	0	0	0	110.2	I1165 L1180 C1184 R1187 A1188 K1194 E1195 F1254	I1165-I1191 HydrophobicContact CB-CG2 4.4Å; I1165-I1191 HydrophobicContact CG2-CG2 3.89Å; L1180-I1191 HydrophobicContact CD1-CD1 4.25Å; L1180-I1191 HydrophobicContact CD2-CD1 3.78Å; L1180-I1191 HydrophobicContact CD2-CG2 4.15Å; C1184-I1191 HydrophobicContact CB-CD1 3.87Å; R1187-I1191 HydrophobicContact CB-CD1 4.04Å; R1187-I1191 HydrophobicContact CB-CG1 4.36Å; R1187-I1191 WeakPolarHBondContact O-CG1 3.36Å; R1187-I1191 PolarHBondContact O-N 2.9Å; A1188-I1191 PolarHBondContact O-N 2.82Å; I1191-K1194 WeakPolarHBondContact O-CB 3.29Å; I1191-K1194 PolarHBondContact O-N 3.37Å; I1191-E1195 HydrophobicContact CG2-CG 4.48Å; I1191-E1195 WeakPolarHBondContact O-CG 3.43Å; I1191-E1195 PolarHBondContact O-N 3.41Å; I1191-F1254 HydrophobicContact CG2-CE1 4.47Å; I1191-F1254 HydrophobicContact CG2-CZ 3.97Å
1192	Y	93.9	Very high	92.9	Very high	52 Å²	52	77.2 Å²	77.2	20%	0.204	38%	0.376	C	S	.	.	H	α-helix	trans	-58.9	-47.8	176.3	177.7	-95.9	0	0	0	111.5	A1188 S1189 K1194 E1195 I1196 I1251 F1254 P1257 W1259	A1188-Y1192 WeakPolarHBondContact O-CB 3.44Å; A1188-Y1192 PolarHBondContact O-N 3.49Å; S1189-Y1192 PolarHBondContact O-N 2.97Å; Y1192-K1194 VanDerWaalsContact C-N 3.31Å; Y1192-K1194 PolarHBondContact O-N 3.11Å; Y1192-E1195 PolarHBondContact O-N 3.06Å; Y1192-I1196 HydrophobicContact CD1-CG1 4.04Å; Y1192-I1196 HydrophobicContact CD2-CG1 4.49Å; Y1192-I1196 HydrophobicContact CE1-CD1 4.33Å; Y1192-I1196 HydrophobicContact CE1-CG1 3.58Å; Y1192-I1196 HydrophobicContact CE2-CD1 4.35Å; Y1192-I1196 HydrophobicContact CE2-CG1 4.1Å; Y1192-I1196 HydrophobicContact CG-CG1 4.47Å; Y1192-I1196 WeakPolarHBondContact O-CB 3.4Å; Y1192-I1196 WeakPolarHBondContact O-CG1 3.24Å; Y1192-I1196 PolarHBondContact O-N 2.75Å; Y1192-I1251 HydrophobicContact CE2-CD1 4.43Å; Y1192-I1251 HydrophobicContact CE2-CG2 4.04Å; Y1192-F1254 HydrophobicContact CD2-CB 3.82Å; Y1192-F1254 HydrophobicContact CD2-CD1 4.27Å; Y1192-F1254 AromaticContact CD2-CD2 3.66Å; Y1192-F1254 HydrophobicContact CD2-CD2 3.66Å; Y1192-F1254 HydrophobicContact CD2-CE2 4.19Å; Y1192-F1254 AromaticContact CD2-CG 3.68Å; Y1192-F1254 HydrophobicContact CD2-CG 3.68Å; Y1192-F1254 HydrophobicContact CE2-CB 4.16Å; Y1192-F1254 HydrophobicContact CE2-CD2 4.33Å; Y1192-F1254 HydrophobicContact CE2-CG 4.41Å; Y1192-P1257 HydrophobicContact CE1-CG 4.39Å; Y1192-W1259 HydrophobicContact CD2-CZ2 4.16Å; Y1192-W1259 AromaticContact CG-CZ2 3.94Å; Y1192-W1259 HydrophobicContact CG-CZ2 3.94Å
1193	Q	93.4	Very high	93.3	Very high	117 Å²	117	74.1 Å²	74.1	55%	0.547	36%	0.363	S	S	.	.	H	α-helix	trans	-59	-42	176.8	-73.8	174.8	30.3	0	0	111.8	S1189 E1190 I1196 V1197	S1189-Q1193 WeakPolarHBondContact O-CB 3.4Å; S1189-Q1193 VanDerWaalsContact O-CG 3.22Å; S1189-Q1193 WeakPolarHBondContact O-CG 3.25Å; S1189-Q1193 PolarHBondContact O-N 2.95Å; S1189-Q1193 PolarHBondContact OG-NE2 3.32Å; S1189-Q1193 VanDerWaalsContact OG-NE2 3.15Å; E1190-Q1193 PolarHBondContact O-N 3.19Å; Q1193-I1196 PolarHBondContact O-N 2.87Å; Q1193-V1197 VanDerWaalsContact O-CG2 3.28Å; Q1193-V1197 WeakPolarHBondContact O-CG2 3.49Å; Q1193-V1197 PolarHBondContact O-N 3.14Å
1194	K	94.8	Very high	93.6	Very high	144 Å²	144	73.6 Å²	73.6	63%	0.626	37%	0.365	S	S	*	.	H	α-helix	trans	-60.2	-47.7	176.3	-178	-175.5	179.8	-177.6	0	112.3	E1190 I1191 Y1192 V1197 Q1198	E1190-K1194 PolarHBondContact O-N 2.84Å; I1191-K1194 WeakPolarHBondContact O-CB 3.29Å; I1191-K1194 PolarHBondContact O-N 3.37Å; Y1192-K1194 VanDerWaalsContact C-N 3.31Å; Y1192-K1194 PolarHBondContact O-N 3.11Å; K1194-V1197 PolarHBondContact O-N 2.93Å; K1194-Q1198 PolarHBondContact O-N 2.85Å; K1194-Q1198 VanDerWaalsContact O-N 3.08Å
1195	E	94.2	Very high	93.7	Very high	19 Å²	19	78.4 Å²	78.4	9%	0.089	39%	0.385	C	S	.	.	H	α-helix	trans	-69.3	-34.2	180	-61.2	-65.7	145	0	0	111.6	I1165 I1191 Y1192 Q1198 L1199 I1251 F1254	I1165-E1195 HydrophobicContact CG2-CG 3.7Å; I1191-E1195 HydrophobicContact CG2-CG 4.48Å; I1191-E1195 WeakPolarHBondContact O-CG 3.43Å; I1191-E1195 PolarHBondContact O-N 3.41Å; Y1192-E1195 PolarHBondContact O-N 3.06Å; E1195-Q1198 WeakPolarHBondContact O-CB 3.34Å; E1195-Q1198 PolarHBondContact O-N 2.78Å; E1195-L1199 PolarHBondContact O-N 2.91Å; E1195-I1251 HydrophobicContact CB-CD1 3.56Å; E1195-F1254 HydrophobicContact CG-CE2 4.43Å
1196	I	94.6	Very high	94	Very high	40 Å²	40	75.1 Å²	75.1	21%	0.205	37%	0.369	C	S	.	.	H	α-helix	trans	-65.1	-42.8	173.1	-76.8	-64.6	0	0	0	111.4	Y1192 Q1193 Q1198 L1199 N1200 I1251	Y1192-I1196 HydrophobicContact CD1-CG1 4.04Å; Y1192-I1196 HydrophobicContact CD2-CG1 4.49Å; Y1192-I1196 HydrophobicContact CE1-CD1 4.33Å; Y1192-I1196 HydrophobicContact CE1-CG1 3.58Å; Y1192-I1196 HydrophobicContact CE2-CD1 4.35Å; Y1192-I1196 HydrophobicContact CE2-CG1 4.1Å; Y1192-I1196 HydrophobicContact CG-CG1 4.47Å; Y1192-I1196 WeakPolarHBondContact O-CB 3.4Å; Y1192-I1196 WeakPolarHBondContact O-CG1 3.24Å; Y1192-I1196 PolarHBondContact O-N 2.75Å; Q1193-I1196 PolarHBondContact O-N 2.87Å; I1196-Q1198 PolarHBondContact O-N 3.15Å; I1196-L1199 HydrophobicContact CD1-CD2 4.38Å; I1196-L1199 PolarHBondContact O-N 3.45Å; I1196-N1200 WeakPolarHBondContact O-CB 3.44Å; I1196-N1200 PolarHBondContact O-N 3.19Å; I1196-N1200 PolarHBondContact O-ND2 3.37Å; I1196-I1251 HydrophobicContact CD1-CB 4.48Å; I1196-I1251 HydrophobicContact CD1-CD1 3.6Å; I1196-I1251 HydrophobicContact CD1-CG1 3.82Å; I1196-I1251 HydrophobicContact CD1-CG2 3.82Å; I1196-I1251 HydrophobicContact CG1-CD1 3.76Å
1197	V	95.7	Very high	94.1	Very high	86 Å²	86	73.5 Å²	73.5	52%	0.521	36%	0.355	S	S	.	.	H	α-helix	trans	-59.3	-40.9	174.1	168.9	0	0	0	0	110.4	Q1193 K1194 N1200 L1201	Q1193-V1197 VanDerWaalsContact O-CG2 3.28Å; Q1193-V1197 WeakPolarHBondContact O-CG2 3.49Å; Q1193-V1197 PolarHBondContact O-N 3.14Å; K1194-V1197 PolarHBondContact O-N 2.93Å; V1197-N1200 PolarHBondContact O-N 3.13Å; V1197-L1201 HydrophobicContact CG1-CD1 4.34Å; V1197-L1201 WeakPolarHBondContact O-CG 3.46Å; V1197-L1201 PolarHBondContact O-N 2.98Å
1198	Q	94.4	Very high	94.2	Very high	93 Å²	93	71.4 Å²	71.4	44%	0.435	36%	0.358	S	S	.	.	H	α-helix	trans	-64.6	-44.4	175.4	-177.7	174.8	-14.3	0	0	112.4	K1194 E1195 I1196 L1201 L1202	K1194-Q1198 PolarHBondContact O-N 2.85Å; K1194-Q1198 VanDerWaalsContact O-N 3.08Å; E1195-Q1198 WeakPolarHBondContact O-CB 3.34Å; E1195-Q1198 PolarHBondContact O-N 2.78Å; I1196-Q1198 PolarHBondContact O-N 3.15Å; Q1198-L1201 PolarHBondContact O-N 3.33Å; Q1198-L1202 HydrophobicContact CG-CD1 4.32Å; Q1198-L1202 WeakPolarHBondContact O-CG 3.47Å; Q1198-L1202 PolarHBondContact O-N 3.22Å
1199	L	96	Very high	94.3	Very high	9 Å²	9	72.3 Å²	72.3	5%	0.047	36%	0.362	C	S	.	.	H	α-helix	trans	-57.7	-49.3	174.4	175.8	62.3	0	0	0	110.9	E1195 I1196 L1201 L1202 E1203 V1244 A1247 Y1248 I1251	E1195-L1199 PolarHBondContact O-N 2.91Å; I1196-L1199 HydrophobicContact CD1-CD2 4.38Å; I1196-L1199 PolarHBondContact O-N 3.45Å; L1199-L1201 VanDerWaalsContact C-N 3.27Å; L1199-L1201 PolarHBondContact O-N 3.2Å; L1199-L1202 WeakPolarHBondContact O-CB 3.37Å; L1199-L1202 PolarHBondContact O-N 2.83Å; L1199-E1203 HydrophobicContact CD1-CG 4.07Å; L1199-E1203 HydrophobicContact CG-CG 4.31Å; L1199-E1203 WeakPolarHBondContact O-CG 3.47Å; L1199-E1203 PolarHBondContact O-N 3.39Å; L1199-V1244 HydrophobicContact CD1-CG1 4.24Å; L1199-A1247 HydrophobicContact CB-CB 4.36Å; L1199-A1247 HydrophobicContact CD1-CB 3.77Å; L1199-Y1248 HydrophobicContact CD2-CD2 4.35Å; L1199-I1251 HydrophobicContact CD2-CG1 4Å
1200	N	96.2	Very high	94.3	Very high	81 Å²	81	72.7 Å²	72.7	43%	0.433	36%	0.356	S	S	.	.	H	α-helix	trans	-58.9	-37.4	179	-68.2	-16.5	0	0	0	112.4	I1196 V1197 K1204	I1196-N1200 WeakPolarHBondContact O-CB 3.44Å; I1196-N1200 PolarHBondContact O-N 3.19Å; I1196-N1200 PolarHBondContact O-ND2 3.37Å; V1197-N1200 PolarHBondContact O-N 3.13Å; N1200-K1204 VanDerWaalsContact O-CB 3.3Å; N1200-K1204 WeakPolarHBondContact O-CB 3.45Å; N1200-K1204 PolarHBondContact O-N 2.84Å
1201	L	95.4	Very high	94.2	Very high	114 Å²	114	69.2 Å²	69.2	60%	0.597	34%	0.343	S	S	*	.	H	α-helix	trans	-66.4	-41.3	175.2	-73.2	171.6	0	0	0	111.9	V1197 Q1198 L1199 K1205	V1197-L1201 HydrophobicContact CG1-CD1 4.34Å; V1197-L1201 WeakPolarHBondContact O-CG 3.46Å; V1197-L1201 PolarHBondContact O-N 2.98Å; Q1198-L1201 PolarHBondContact O-N 3.33Å; L1199-L1201 VanDerWaalsContact C-N 3.27Å; L1199-L1201 PolarHBondContact O-N 3.2Å; L1201-K1205 WeakPolarHBondContact O-CB 3.49Å; L1201-K1205 PolarHBondContact O-N 3.46Å
1202	L	94.8	Very high	94	Very high	30 Å²	30	72 Å²	72	16%	0.157	36%	0.356	C	S	.	.	H	α-helix	trans	-68.6	-41.5	177.1	-69.2	171.9	0	0	0	111.8	Q1198 L1199 K1205 F1206 D1243 V1244 A1247	Q1198-L1202 HydrophobicContact CG-CD1 4.32Å; Q1198-L1202 WeakPolarHBondContact O-CG 3.47Å; Q1198-L1202 PolarHBondContact O-N 3.22Å; L1199-L1202 WeakPolarHBondContact O-CB 3.37Å; L1199-L1202 PolarHBondContact O-N 2.83Å; L1202-K1205 WeakPolarHBondContact O-CB 3.47Å; L1202-K1205 PolarHBondContact O-N 3.3Å; L1202-F1206 WeakPolarHBondContact O-CB 3.25Å; L1202-F1206 PolarHBondContact O-N 3.14Å; L1202-D1243 HydrophobicContact CD1-CB 4.18Å; L1202-D1243 HydrophobicContact CD2-CB 3.94Å; L1202-V1244 VanDerWaalsContact C-CG2 3.49Å; L1202-V1244 HydrophobicContact CB-CG2 3.73Å; L1202-A1247 HydrophobicContact CD1-CB 3.75Å
1203	E	96.2	Very high	93.8	Very high	77 Å²	77	70.3 Å²	70.3	36%	0.36	35%	0.351	S	S	.	.	H	α-helix	trans	-61.9	-46.2	174	-74.1	-178.5	160.9	0	0	111	L1199 K1205 F1206 T1207 V1244	L1199-E1203 HydrophobicContact CD1-CG 4.07Å; L1199-E1203 HydrophobicContact CG-CG 4.31Å; L1199-E1203 WeakPolarHBondContact O-CG 3.47Å; L1199-E1203 PolarHBondContact O-N 3.39Å; E1203-K1205 VanDerWaalsContact C-N 3.28Å; E1203-K1205 PolarHBondContact O-N 2.94Å; E1203-F1206 PolarHBondContact O-N 2.95Å; E1203-T1207 WeakPolarHBondContact O-CB 2.98Å; E1203-T1207 PolarHBondContact O-N 2.7Å; E1203-T1207 PolarHBondContact O-OG1 3.41Å; E1203-V1244 HydrophobicContact CG-CG1 4.01Å; E1203-V1244 HydrophobicContact CG-CG2 4.28Å
1204	K	95.7	Very high	93.6	Very high	159 Å²	159	66.1 Å²	66.1	69%	0.691	33%	0.331	S	S	*	.	H	α-helix	trans	-58.6	-41.4	175.8	-174	178	-178.7	179.2	0	111.9	N1200 S1208	N1200-K1204 VanDerWaalsContact O-CB 3.3Å; N1200-K1204 WeakPolarHBondContact O-CB 3.45Å; N1200-K1204 PolarHBondContact O-N 2.84Å; K1204-S1208 WeakPolarHBondContact O-CB 3.43Å; K1204-S1208 PolarHBondContact O-N 2.72Å
1205	K	93.2	Very high	93.1	Very high	102 Å²	102	66.9 Å²	66.9	44%	0.443	33%	0.33	S	S	.	.	H	α-helix	trans	-64.4	-46.8	175.6	-176.6	-176.8	177.7	-174.1	0	111.4	L1201 L1202 E1203 S1208 L1209	L1201-K1205 WeakPolarHBondContact O-CB 3.49Å; L1201-K1205 PolarHBondContact O-N 3.46Å; L1202-K1205 WeakPolarHBondContact O-CB 3.47Å; L1202-K1205 PolarHBondContact O-N 3.3Å; E1203-K1205 VanDerWaalsContact C-N 3.28Å; E1203-K1205 PolarHBondContact O-N 2.94Å; K1205-S1208 PolarHBondContact O-N 3.03Å; K1205-L1209 HydrophobicContact CG-CD1 4.23Å; K1205-L1209 WeakPolarHBondContact O-CG 3.37Å; K1205-L1209 PolarHBondContact O-N 3.47Å
1206	F	94.4	Very high	92.5	Very high	43 Å²	43	67.6 Å²	67.6	19%	0.189	34%	0.337	C	S	.	.	H	α-helix	trans	-61.1	-47.6	177.9	176.9	-108.3	0	0	0	111.4	L1202 E1203 S1208 L1209 W1210 R1237 S1240 R1241 V1244	L1202-F1206 WeakPolarHBondContact O-CB 3.25Å; L1202-F1206 PolarHBondContact O-N 3.14Å; E1203-F1206 PolarHBondContact O-N 2.95Å; F1206-S1208 VanDerWaalsContact C-N 3.33Å; F1206-S1208 PolarHBondContact O-N 3.14Å; F1206-L1209 PolarHBondContact O-N 3.01Å; F1206-W1210 HydrophobicContact CE1-CE3 4.34Å; F1206-W1210 HydrophobicContact CE2-CE3 4.36Å; F1206-W1210 AromaticContact CZ-CE3 3.73Å; F1206-W1210 HydrophobicContact CZ-CE3 3.73Å; F1206-W1210 HydrophobicContact CZ-CZ3 4.23Å; F1206-W1210 WeakPolarHBondContact O-CB 3.35Å; F1206-W1210 PolarHBondContact O-N 2.76Å; F1206-R1237 HydrophobicContact CD2-CG 4.35Å; F1206-R1237 HydrophobicContact CE2-CG 3.84Å; F1206-S1240 WeakPolarHBondContact CA-OG 3.18Å; F1206-S1240 PolarHBondContact N-OG 2.94Å; F1206-R1241 HydrophobicContact CD2-CB 4.02Å; F1206-R1241 HydrophobicContact CE2-CB 3.62Å; F1206-R1241 HydrophobicContact CE2-CG 4.16Å; F1206-R1241 HydrophobicContact CZ-CB 4.35Å; F1206-R1241 HydrophobicContact CZ-CG 4.4Å; F1206-V1244 HydrophobicContact CB-CG2 4.03Å
1207	T	93.3	Very high	91.8	Very high	79 Å²	79	66.6 Å²	66.6	49%	0.485	33%	0.332	S	S	.	.	H	α-helix	trans	-60.1	-41.3	176.7	-59.2	0	0	0	0	111.6	E1203 L1209 W1210 T1211	E1203-T1207 WeakPolarHBondContact O-CB 2.98Å; E1203-T1207 PolarHBondContact O-N 2.7Å; E1203-T1207 PolarHBondContact O-OG1 3.41Å; T1207-L1209 PolarHBondContact O-N 3.45Å; T1207-W1210 WeakPolarHBondContact O-CB 3.32Å; T1207-W1210 PolarHBondContact O-N 3.49Å; T1207-T1211 PolarHBondContact O-N 2.83Å; T1207-T1211 PolarHBondContact O-OG1 2.8Å
1208	S	93.6	Very high	90.8	Very high	68 Å²	68	65.9 Å²	65.9	48%	0.476	32%	0.323	S	S	.	.	H	α-helix	trans	-60.5	-45.5	175.1	-171.4	0	0	0	0	112	K1204 K1205 F1206 W1210 T1211 E1212	K1204-S1208 WeakPolarHBondContact O-CB 3.43Å; K1204-S1208 PolarHBondContact O-N 2.72Å; K1205-S1208 PolarHBondContact O-N 3.03Å; F1206-S1208 VanDerWaalsContact C-N 3.33Å; F1206-S1208 PolarHBondContact O-N 3.14Å; S1208-W1210 VanDerWaalsContact C-N 3.34Å; S1208-T1211 PolarHBondContact O-N 2.67Å; S1208-E1212 WeakPolarHBondContact O-CG 3.37Å; S1208-E1212 PolarHBondContact O-N 3.18Å; S1208-E1212 VanDerWaalsContact O-N 3.11Å
1209	L	92.6	Very high	90	Very high	21 Å²	21	62.5 Å²	62.5	11%	0.11	31%	0.309	C	S	.	.	H	α-helix	trans	-66.4	-38.1	177.5	-68	164.5	0	0	0	111.6	K1205 F1206 T1207 E1212 C1213 I1233 M1236 R1237	K1205-L1209 HydrophobicContact CG-CD1 4.23Å; K1205-L1209 WeakPolarHBondContact O-CG 3.37Å; K1205-L1209 PolarHBondContact O-N 3.47Å; F1206-L1209 PolarHBondContact O-N 3.01Å; T1207-L1209 PolarHBondContact O-N 3.45Å; L1209-E1212 PolarHBondContact O-N 3.3Å; L1209-C1213 PolarHBondContact O-N 2.88Å; L1209-C1213 VanDerWaalsContact O-N 3.1Å; L1209-C1213 PolarHBondContact O-SG 3.04Å; L1209-I1233 HydrophobicContact CD2-CG2 4.03Å; L1209-M1236 HydrophobicContact CD1-CB 3.9Å; L1209-M1236 HydrophobicContact CD2-CB 3.86Å; L1209-M1236 HydrophobicContact CD2-SD 4.34Å; L1209-R1237 HydrophobicContact CB-CB 4.28Å
1210	W	91.4	Very high	89.3	Confident	58 Å²	58	67.9 Å²	67.9	22%	0.22	34%	0.337	C	S	.	.	H	α-helix	trans	-61.2	-45.9	174.7	-172.8	-90.6	0	0	0	111.4	F1206 T1207 S1208 E1212 C1213 Q1214 E1223 V1224	F1206-W1210 HydrophobicContact CE1-CE3 4.34Å; F1206-W1210 HydrophobicContact CE2-CE3 4.36Å; F1206-W1210 AromaticContact CZ-CE3 3.73Å; F1206-W1210 HydrophobicContact CZ-CE3 3.73Å; F1206-W1210 HydrophobicContact CZ-CZ3 4.23Å; F1206-W1210 WeakPolarHBondContact O-CB 3.35Å; F1206-W1210 PolarHBondContact O-N 2.76Å; T1207-W1210 WeakPolarHBondContact O-CB 3.32Å; T1207-W1210 PolarHBondContact O-N 3.49Å; S1208-W1210 VanDerWaalsContact C-N 3.34Å; W1210-E1212 VanDerWaalsContact C-N 3.34Å; W1210-E1212 PolarHBondContact O-N 2.86Å; W1210-C1213 WeakPolarHBondContact O-CB 3.44Å; W1210-C1213 PolarHBondContact O-N 2.94Å; W1210-C1213 VanDerWaalsContact O-N 3.13Å; W1210-Q1214 WeakPolarHBondContact O-CG 3.48Å; W1210-Q1214 PolarHBondContact O-N 3.13Å; W1210-E1223 HydrophobicContact CH2-CG 4.29Å; W1210-V1224 HydrophobicContact CD2-CG2 4.1Å; W1210-V1224 HydrophobicContact CE3-CB 4.47Å; W1210-V1224 HydrophobicContact CH2-CB 3.75Å; W1210-V1224 HydrophobicContact CH2-CG2 4.1Å; W1210-V1224 HydrophobicContact CZ2-CB 3.8Å; W1210-V1224 HydrophobicContact CZ2-CG2 3.62Å; W1210-V1224 HydrophobicContact CZ3-CB 4.1Å
1211	T	91.2	Very high	88.5	Confident	48 Å²	48	71 Å²	71	29%	0.294	35%	0.348	S	S	.	.	H	α-helix	trans	-62.1	-38.4	176.1	-59.4	0	0	0	0	112.3	T1207 S1208 C1213 Q1214 R1215	T1207-T1211 PolarHBondContact O-N 2.83Å; T1207-T1211 PolarHBondContact O-OG1 2.8Å; S1208-T1211 PolarHBondContact O-N 2.67Å; T1211-C1213 VanDerWaalsContact C-N 3.33Å; T1211-C1213 PolarHBondContact O-N 2.86Å; T1211-Q1214 PolarHBondContact O-N 2.79Å; T1211-R1215 WeakPolarHBondContact O-CG 3.32Å; T1211-R1215 PolarHBondContact O-N 3.31Å
1212	E	89.5	Confident	87.6	Confident	73 Å²	73	68.3 Å²	68.3	34%	0.341	33%	0.333	S	S	.	.	H	α-helix	trans	-63.3	-40	173.6	-64.5	-52	150.4	0	0	111.6	S1208 L1209 W1210 R1215 C1216 I1233	S1208-E1212 WeakPolarHBondContact O-CG 3.37Å; S1208-E1212 PolarHBondContact O-N 3.18Å; S1208-E1212 VanDerWaalsContact O-N 3.11Å; L1209-E1212 PolarHBondContact O-N 3.3Å; W1210-E1212 VanDerWaalsContact C-N 3.34Å; W1210-E1212 PolarHBondContact O-N 2.86Å; E1212-R1215 PolarHBondContact O-N 2.82Å; E1212-R1215 IonicContact OE1-CZ 3.56Å; E1212-R1215 IonicContact OE1-NH1 2.77Å; E1212-R1215 PolarHBondContact OE1-NH1 3.34Å; E1212-R1215 IonicContact OE2-CZ 3.64Å; E1212-R1215 IonicContact OE2-NH1 2.83Å; E1212-R1215 PolarHBondContact OE2-NH1 3.41Å; E1212-C1216 PolarHBondContact O-N 2.76Å; E1212-C1216 VanDerWaalsContact O-N 3.07Å; E1212-I1233 HydrophobicContact CB-CD1 4.06Å; E1212-I1233 HydrophobicContact CB-CG2 4.39Å
1213	C	89.4	Confident	87.1	Confident	15 Å²	15	73.2 Å²	73.2	10%	0.101	36%	0.355	C	S	.	.	H	α-helix	trans	-66.3	-38.5	173.5	-62.7	0	0	0	0	112.7	L1209 W1210 T1211 R1215 C1216 Q1217 V1224	L1209-C1213 PolarHBondContact O-N 2.88Å; L1209-C1213 VanDerWaalsContact O-N 3.1Å; L1209-C1213 PolarHBondContact O-SG 3.04Å; W1210-C1213 WeakPolarHBondContact O-CB 3.44Å; W1210-C1213 PolarHBondContact O-N 2.94Å; W1210-C1213 VanDerWaalsContact O-N 3.13Å; T1211-C1213 VanDerWaalsContact C-N 3.33Å; T1211-C1213 PolarHBondContact O-N 2.86Å; C1213-R1215 VanDerWaalsContact C-N 3.29Å; C1213-R1215 PolarHBondContact O-N 3.45Å; C1213-C1216 WeakPolarHBondContact O-CB 3.38Å; C1213-C1216 PolarHBondContact O-N 2.97Å; C1213-Q1217 WeakPolarHBondContact O-CB 3.34Å; C1213-Q1217 PolarHBondContact O-N 3.29Å; C1213-V1224 HydrophobicContact CB-CB 4.47Å; C1213-V1224 HydrophobicContact CB-CG1 3.49Å; C1213-V1224 VanDerWaalsContact CB-CG1 3.49Å; C1213-V1224 HydrophobicContact CB-CG2 4.27Å
1214	Q	88.8	Confident	86.6	Confident	30 Å²	30	69.9 Å²	69.9	14%	0.14	34%	0.34	C	S	.	.	H	α-helix	trans	-62.1	-36	174.2	-74.1	179.7	-48.9	0	0	112.1	W1210 T1211 Q1218 S1219 I1220 V1224	W1210-Q1214 WeakPolarHBondContact O-CG 3.48Å; W1210-Q1214 PolarHBondContact O-N 3.13Å; T1211-Q1214 PolarHBondContact O-N 2.79Å; Q1214-Q1218 WeakPolarHBondContact O-CA 3.47Å; Q1214-Q1218 PolarHBondContact O-N 2.9Å; Q1214-S1219 VanDerWaalsContact CB-O 3.31Å; Q1214-S1219 WeakPolarHBondContact CB-O 3.34Å; Q1214-S1219 PolarHBondContact O-N 3.39Å; Q1214-S1219 VanDerWaalsContact O-N 3.09Å; Q1214-I1220 PolarHBondContact NE2-O 3.42Å; Q1214-V1224 HydrophobicContact CG-CG2 3.61Å
1215	R	85.1	Confident	86	Confident	159 Å²	159	63.8 Å²	63.8	60%	0.6	31%	0.314	S	S	*	.	H	α-helix	trans	-65.9	-41.8	172.9	-72.1	175.1	-176.4	160.9	4.9	112.2	T1211 E1212 C1213 Q1218	T1211-R1215 WeakPolarHBondContact O-CG 3.32Å; T1211-R1215 PolarHBondContact O-N 3.31Å; E1212-R1215 PolarHBondContact O-N 2.82Å; E1212-R1215 IonicContact OE1-CZ 3.56Å; E1212-R1215 IonicContact OE1-NH1 2.77Å; E1212-R1215 PolarHBondContact OE1-NH1 3.34Å; E1212-R1215 IonicContact OE2-CZ 3.64Å; E1212-R1215 IonicContact OE2-NH1 2.83Å; E1212-R1215 PolarHBondContact OE2-NH1 3.41Å; C1213-R1215 VanDerWaalsContact C-N 3.29Å; C1213-R1215 PolarHBondContact O-N 3.45Å; R1215-Q1218 WeakPolarHBondContact O-CG 3.15Å; R1215-Q1218 PolarHBondContact O-N 3.11Å
1216	C	81.4	Confident	85.6	Confident	35 Å²	35	59.7 Å²	59.7	24%	0.236	30%	0.299	C	S	.	.	H	α-helix	trans	-65.2	-44.1	176.1	-178.2	0	0	0	0	111.9	Q624 E1212 C1213 Q1218	Q624-C1216 WeakPolarHBondContact CB-SG 3.39Å; E1212-C1216 PolarHBondContact O-N 2.76Å; E1212-C1216 VanDerWaalsContact O-N 3.07Å; C1213-C1216 WeakPolarHBondContact O-CB 3.38Å; C1213-C1216 PolarHBondContact O-N 2.97Å; C1216-Q1218 PolarHBondContact O-N 3.36Å
1217	Q	79.1	Confident	85	Confident	19 Å²	19	59.2 Å²	59.2	9%	0.089	30%	0.299	C	S	.	.	H	α-helix	trans	-68.4	-22	173.4	-179.7	-178.3	-15.5	0	0	112.1	C1213 S1219 E1222 E1223 V1224	C1213-Q1217 WeakPolarHBondContact O-CB 3.34Å; C1213-Q1217 PolarHBondContact O-N 3.29Å; Q1217-S1219 VanDerWaalsContact C-N 3.28Å; Q1217-S1219 PolarHBondContact O-N 3.12Å; Q1217-E1222 PolarHBondContact NE2-OE2 2.59Å; Q1217-E1222 VanDerWaalsContact NE2-OE2 3.1Å; Q1217-E1223 PolarHBondContact NE2-O 3.01Å; Q1217-V1224 VanDerWaalsContact OE1-CA 3.27Å
1218	Q	75.2	Confident	84.5	Confident	71 Å²	71	55.6 Å²	55.6	33%	0.332	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	31.7	-176.3	-51.4	173.6	-1.3	0	0	113.2	K144 Q1214 R1215 C1216	K144-Q1218 HydrophobicContact CB-CG 4.41Å; Q1214-Q1218 WeakPolarHBondContact O-CA 3.47Å; Q1214-Q1218 PolarHBondContact O-N 2.9Å; R1215-Q1218 WeakPolarHBondContact O-CG 3.15Å; R1215-Q1218 PolarHBondContact O-N 3.11Å; C1216-Q1218 PolarHBondContact O-N 3.36Å
1219	S	78.3	Confident	83.8	Confident	22 Å²	22	56.1 Å²	56.1	15%	0.154	27%	0.268	C	S	.	.			trans	-143.3	133	175.2	-177.4	0	0	0	0	110.7	Q1214 Q1217 H1221 E1222	Q1214-S1219 VanDerWaalsContact CB-O 3.31Å; Q1214-S1219 WeakPolarHBondContact CB-O 3.34Å; Q1214-S1219 PolarHBondContact O-N 3.39Å; Q1214-S1219 VanDerWaalsContact O-N 3.09Å; Q1217-S1219 VanDerWaalsContact C-N 3.28Å; Q1217-S1219 PolarHBondContact O-N 3.12Å; S1219-H1221 PolarHBondContact OG-N 3.4Å; S1219-E1222 WeakPolarHBondContact OG-CB 3.32Å; S1219-E1222 WeakPolarHBondContact OG-CG 3.18Å; S1219-E1222 PolarHBondContact OG-N 3.26Å
1220	I	80.7	Confident	83.1	Confident	121 Å²	121	58.4 Å²	58.4	62%	0.621	28%	0.281	S	S	*	.	S	Bend	trans	-95.5	-20.8	173.1	60.5	169.7	0	0	0	112.7	Q1214	Q1214-I1220 PolarHBondContact NE2-O 3.42Å
1221	H	78.4	Confident	82.7	Confident	147 Å²	147	56.1 Å²	56.1	68%	0.681	27%	0.274	S	S	*	.	S	Bend	trans	-92.5	-26.2	-173.8	-61.4	-63.5	0	0	0	112.6	S1219	S1219-H1221 PolarHBondContact OG-N 3.4Å
1222	E	78.4	Confident	82.4	Confident	57 Å²	57	56.3 Å²	56.3	27%	0.266	28%	0.276	S	S	.	.	S	Bend	trans	-86.9	148.8	-179.8	-68.3	-179	173.1	0	0	112.1	R646 Q1217 S1219	R646-E1222 WeakPolarHBondContact CD-OE2 3.14Å; R646-E1222 IonicContact CZ-OE2 2.77Å; R646-E1222 IonicContact NE-OE2 2.76Å; R646-E1222 PolarHBondContact NE-OE2 2.85Å; R646-E1222 IonicContact NH1-OE2 3.6Å; R646-E1222 IonicContact NH2-OE2 3.53Å; Q1217-E1222 PolarHBondContact NE2-OE2 2.59Å; Q1217-E1222 VanDerWaalsContact NE2-OE2 3.1Å; S1219-E1222 WeakPolarHBondContact OG-CB 3.32Å; S1219-E1222 WeakPolarHBondContact OG-CG 3.18Å; S1219-E1222 PolarHBondContact OG-N 3.26Å
1223	E	83.6	Confident	82.3	Confident	133 Å²	133	55.1 Å²	55.1	62%	0.621	27%	0.271	S	S	*	.			trans	-65.8	138.5	172.2	-174.7	178.3	-172.6	0	0	110.9	R646 W1210 Q1217 I1225	R646-E1223 PolarHBondContact NH1-O 3.24Å; R646-E1223 PolarHBondContact NH2-O 3.14Å; W1210-E1223 HydrophobicContact CH2-CG 4.29Å; Q1217-E1223 PolarHBondContact NE2-O 3.01Å; E1223-I1225 HydrophobicContact CG-CG2 4.43Å; E1223-I1225 PolarHBondContact O-N 3.35Å
1224	V	85.8	Confident	82.3	Confident	7 Å²	7	55 Å²	55	4%	0.042	27%	0.269	C	S	.	.			trans	-82.3	96.6	177.4	-173.6	0	0	0	0	111.1	W1210 C1213 Q1214 Q1217 C1226 R1237	W1210-V1224 HydrophobicContact CD2-CG2 4.1Å; W1210-V1224 HydrophobicContact CE3-CB 4.47Å; W1210-V1224 HydrophobicContact CH2-CB 3.75Å; W1210-V1224 HydrophobicContact CH2-CG2 4.1Å; W1210-V1224 HydrophobicContact CZ2-CB 3.8Å; W1210-V1224 HydrophobicContact CZ2-CG2 3.62Å; W1210-V1224 HydrophobicContact CZ3-CB 4.1Å; C1213-V1224 HydrophobicContact CB-CB 4.47Å; C1213-V1224 HydrophobicContact CB-CG1 3.49Å; C1213-V1224 VanDerWaalsContact CB-CG1 3.49Å; C1213-V1224 HydrophobicContact CB-CG2 4.27Å; Q1214-V1224 HydrophobicContact CG-CG2 3.61Å; Q1217-V1224 VanDerWaalsContact OE1-CA 3.27Å; V1224-C1226 HydrophobicContact CG1-CB 4.26Å; V1224-R1237 VanDerWaalsContact CB-NH1 3.35Å; V1224-R1237 PolarHBondContact O-NH1 3.14Å
1225	I	82.8	Confident	82.2	Confident	31 Å²	31	53.8 Å²	53.8	16%	0.159	26%	0.263	C	S	.	.			trans	-91.4	-1.4	-179.2	66.9	-178.8	0	0	0	114.1	E626 V628 V632 L636 E1223 T1227	E626-I1225 WeakPolarHBondContact OE1-CG1 3.5Å; V628-I1225 HydrophobicContact CG1-CD1 4.1Å; V628-I1225 HydrophobicContact CG2-CD1 4.16Å; V632-I1225 HydrophobicContact CG1-CD1 4Å; L636-I1225 HydrophobicContact CD1-CD1 4.13Å; E1223-I1225 HydrophobicContact CG-CG2 4.43Å; E1223-I1225 PolarHBondContact O-N 3.35Å; I1225-T1227 PolarHBondContact O-N 3.49Å
1226	C	84.6	Confident	82.5	Confident	17 Å²	17	49.4 Å²	49.4	12%	0.115	25%	0.25	C	S	.	.			trans	-52.7	132	-175	178.7	0	0	0	0	113.9	E626 D627 V1224 R1237	E626-C1226 HydrophobicContact CG-CB 4.39Å; D627-C1226 CarbonylContact O-C 3.54Å; D627-C1226 VanDerWaalsContact O-CA 3.29Å; D627-C1226 WeakPolarHBondContact O-CA 3.35Å; V1224-C1226 HydrophobicContact CG1-CB 4.26Å; C1226-R1237 PolarHBondContact O-NH2 3.38Å
1227	T	82.1	Confident	82.9	Confident	32 Å²	32	48.4 Å²	48.4	20%	0.196	24%	0.242	C	C	.	.			trans	-117.1	19.4	178.4	56.1	0	0	0	0	115.2	D627 H629 I1225 R1229	D627-T1227 PolarHBondContact O-N 3.03Å; D627-T1227 PolarHBondContact O-OG1 2.88Å; D627-T1227 PolarHBondContact OD2-OG1 3.23Å; H629-T1227 HydrophobicContact CB-CG2 3.74Å; H629-T1227 WeakPolarHBondContact CB-OG1 3.3Å; I1225-T1227 PolarHBondContact O-N 3.49Å; T1227-R1229 PolarHBondContact O-N 2.72Å
1228	S	81.9	Confident	83.5	Confident	3 Å²	3	50.1 Å²	50.1	2%	0.021	25%	0.25	C	S	.	.			trans	-57.7	101.5	-173.6	-178.2	0	0	0	0	112.7	N614 D627 D1230 C1231 F1234	N614-S1228 PolarHBondContact ND2-OG 3.19Å; D627-S1228 WeakPolarHBondContact OD2-CA 3.44Å; D627-S1228 PolarHBondContact OD2-N 2.89Å; S1228-D1230 PolarHBondContact O-N 2.92Å; S1228-C1231 WeakPolarHBondContact O-CB 3.25Å; S1228-C1231 PolarHBondContact O-N 3.29Å; S1228-C1231 VanDerWaalsContact O-N 3.07Å; S1228-F1234 WeakPolarHBondContact O-CB 3.49Å; S1228-F1234 VanDerWaalsContact O-CD1 3.31Å; S1228-F1234 WeakPolarHBondContact O-CD1 3.35Å; S1228-F1234 WeakPolarHBondContact O-CG 3.35Å
1229	R	78.7	Confident	84.1	Confident	79 Å²	79	49.1 Å²	49.1	30%	0.298	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-12.4	-179.2	-60.5	-173.6	-176.1	175.4	2.4	113.4	L1095 T1227 Y1235	L1095-R1229 HydrophobicContact CD1-CG 4.13Å; T1227-R1229 PolarHBondContact O-N 2.72Å; R1229-Y1235 WeakPolarHBondContact O-CE2 3.36Å; R1229-Y1235 PolarHBondContact O-OH 2.75Å
1230	D	78.5	Confident	84.7	Confident	69 Å²	69	48.1 Å²	48.1	37%	0.369	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-9.2	175.1	-68	-48.8	0	0	0	112.3	S610 T612 A615 S1228 P1232	S610-D1230 VanDerWaalsContact CB-OD1 3.3Å; S610-D1230 WeakPolarHBondContact CB-OD1 3.42Å; S610-D1230 VanDerWaalsContact OG-CG 3.26Å; S610-D1230 PolarHBondContact OG-OD1 3.08Å; S610-D1230 PolarHBondContact OG-OD2 3.05Å; T612-D1230 WeakPolarHBondContact CG2-OD2 3.43Å; T612-D1230 PolarHBondContact OG1-OD2 3.06Å; A615-D1230 HydrophobicContact CB-CB 4.12Å; S1228-D1230 PolarHBondContact O-N 2.92Å; D1230-P1232 WeakPolarHBondContact O-CD 3.29Å
1231	C	84.2	Confident	85.2	Confident	11 Å²	11	48.6 Å²	48.6	7%	0.074	23%	0.232	C	C	.	.			trans	-89.9	120.8	-177	-176	0	0	0	0	111.9	S1228 I1233 F1234 Y1235	S1228-C1231 WeakPolarHBondContact O-CB 3.25Å; S1228-C1231 PolarHBondContact O-N 3.29Å; S1228-C1231 VanDerWaalsContact O-N 3.07Å; C1231-I1233 VanDerWaalsContact C-N 3.29Å; C1231-I1233 PolarHBondContact O-N 2.8Å; C1231-F1234 HydrophobicContact CB-CB 3.97Å; C1231-F1234 WeakPolarHBondContact O-CB 3.02Å; C1231-F1234 PolarHBondContact O-N 2.93Å; C1231-Y1235 WeakPolarHBondContact O-CD2 3.22Å
1232	P	83.8	Confident	85.7	Confident	52 Å²	52	43.5 Å²	43.5	34%	0.338	21%	0.208	S	C	.	.	H	α-helix	trans	-61.5	-36.5	174.6	-24.5	35.1	0	0	0	113.1	D1230 F1234 Y1235 M1236	D1230-P1232 WeakPolarHBondContact O-CD 3.29Å; P1232-F1234 PolarHBondContact O-N 2.58Å; P1232-Y1235 PolarHBondContact O-N 2.84Å; P1232-M1236 HydrophobicContact CB-CE 4.36Å; P1232-M1236 WeakPolarHBondContact O-CG 3.31Å; P1232-M1236 PolarHBondContact O-N 2.86Å
1233	I	88.4	Confident	86.2	Confident	47 Å²	47	43 Å²	43	24%	0.241	21%	0.207	C	C	.	.	H	α-helix	trans	-62.3	-34.5	178.6	-60	176	0	0	0	110.4	L1209 E1212 C1231 M1236 R1237	L1209-I1233 HydrophobicContact CD2-CG2 4.03Å; E1212-I1233 HydrophobicContact CB-CD1 4.06Å; E1212-I1233 HydrophobicContact CB-CG2 4.39Å; C1231-I1233 VanDerWaalsContact C-N 3.29Å; C1231-I1233 PolarHBondContact O-N 2.8Å; I1233-M1236 PolarHBondContact O-N 3.06Å; I1233-R1237 WeakPolarHBondContact O-CB 3.22Å; I1233-R1237 PolarHBondContact O-N 3.49Å
1234	F	88.2	Confident	86.7	Confident	13 Å²	13	37.6 Å²	37.6	6%	0.057	18%	0.183	C	C	.	.	H	α-helix	trans	-59.9	-51.3	175.6	169.6	-110.7	0	0	0	111.5	L1095 S1228 C1231 P1232 M1236 R1237 M1238	L1095-F1234 HydrophobicContact CD1-CE1 4.01Å; L1095-F1234 HydrophobicContact CD1-CZ 4.29Å; L1095-F1234 HydrophobicContact CD2-CD1 4.38Å; L1095-F1234 HydrophobicContact CD2-CE1 3.36Å; L1095-F1234 HydrophobicContact CD2-CZ 3.71Å; L1095-F1234 HydrophobicContact CG-CE1 4.2Å; S1228-F1234 WeakPolarHBondContact O-CB 3.49Å; S1228-F1234 VanDerWaalsContact O-CD1 3.31Å; S1228-F1234 WeakPolarHBondContact O-CD1 3.35Å; S1228-F1234 WeakPolarHBondContact O-CG 3.35Å; C1231-F1234 HydrophobicContact CB-CB 3.97Å; C1231-F1234 WeakPolarHBondContact O-CB 3.02Å; C1231-F1234 PolarHBondContact O-N 2.93Å; P1232-F1234 PolarHBondContact O-N 2.58Å; F1234-M1236 PolarHBondContact O-N 3.21Å; F1234-R1237 PolarHBondContact O-N 3.1Å; F1234-M1238 HydrophobicContact CD2-CG 4.19Å; F1234-M1238 HydrophobicContact CE2-CG 3.81Å; F1234-M1238 HydrophobicContact CE2-SD 4.13Å; F1234-M1238 HydrophobicContact CZ-CG 4.03Å; F1234-M1238 WeakPolarHBondContact O-CG 3.35Å; F1234-M1238 PolarHBondContact O-N 3.19Å
1235	Y	88	Confident	87	Confident	5 Å²	5	41 Å²	41	2%	0.02	20%	0.2	C	C	.	.	H	α-helix	trans	-63	-42.2	176.8	-67.1	-73.3	0	0	0	112.7	I1029 P1094 L1095 L1098 R1229 C1231 P1232 R1237 M1238 K1239	I1029-Y1235 HydrophobicContact CG2-CD1 3.82Å; I1029-Y1235 HydrophobicContact CG2-CG 3.97Å; P1094-Y1235 HydrophobicContact CB-CE1 3.89Å; L1095-Y1235 HydrophobicContact CD2-CD1 4.14Å; L1095-Y1235 HydrophobicContact CD2-CE1 3.85Å; L1095-Y1235 HydrophobicContact CG-CE1 4.06Å; L1098-Y1235 HydrophobicContact CD1-CD1 3.76Å; R1229-Y1235 WeakPolarHBondContact O-CE2 3.36Å; R1229-Y1235 PolarHBondContact O-OH 2.75Å; C1231-Y1235 WeakPolarHBondContact O-CD2 3.22Å; P1232-Y1235 PolarHBondContact O-N 2.84Å; Y1235-R1237 VanDerWaalsContact C-N 3.31Å; Y1235-R1237 PolarHBondContact O-N 2.96Å; Y1235-M1238 PolarHBondContact O-N 3.1Å; Y1235-K1239 WeakPolarHBondContact O-CB 3.32Å; Y1235-K1239 PolarHBondContact O-N 3.18Å
1236	M	89.7	Confident	87.3	Confident	66 Å²	66	43.3 Å²	43.3	33%	0.325	21%	0.211	S	C	.	.	H	α-helix	trans	-61.1	-41.6	176.4	-68.8	-179	-168	0	0	111.5	D1028 L1209 P1232 I1233 F1234 S1240	D1028-M1236 HydrophobicContact CB-CE 4.07Å; D1028-M1236 WeakPolarHBondContact OD1-CG 3.22Å; L1209-M1236 HydrophobicContact CD1-CB 3.9Å; L1209-M1236 HydrophobicContact CD2-CB 3.86Å; L1209-M1236 HydrophobicContact CD2-SD 4.34Å; P1232-M1236 HydrophobicContact CB-CE 4.36Å; P1232-M1236 WeakPolarHBondContact O-CG 3.31Å; P1232-M1236 PolarHBondContact O-N 2.86Å; I1233-M1236 PolarHBondContact O-N 3.06Å; F1234-M1236 PolarHBondContact O-N 3.21Å; M1236-S1240 WeakPolarHBondContact O-CB 3.49Å; M1236-S1240 PolarHBondContact O-N 3.04Å
1237	R	91.5	Very high	87.7	Confident	15 Å²	15	43.1 Å²	43.1	6%	0.057	21%	0.21	C	C	.	.	H	α-helix	trans	-65	-45.6	177.4	-177.9	179.7	66	144.5	-3.3	111	F1206 L1209 V1224 C1226 I1233 F1234 Y1235 S1240 R1241	F1206-R1237 HydrophobicContact CD2-CG 4.35Å; F1206-R1237 HydrophobicContact CE2-CG 3.84Å; L1209-R1237 HydrophobicContact CB-CB 4.28Å; V1224-R1237 VanDerWaalsContact CB-NH1 3.35Å; V1224-R1237 PolarHBondContact O-NH1 3.14Å; C1226-R1237 PolarHBondContact O-NH2 3.38Å; I1233-R1237 WeakPolarHBondContact O-CB 3.22Å; I1233-R1237 PolarHBondContact O-N 3.49Å; F1234-R1237 PolarHBondContact O-N 3.1Å; Y1235-R1237 VanDerWaalsContact C-N 3.31Å; Y1235-R1237 PolarHBondContact O-N 2.96Å; R1237-S1240 PolarHBondContact O-N 3.01Å; R1237-R1241 WeakPolarHBondContact O-CB 3.34Å; R1237-R1241 PolarHBondContact O-N 2.82Å
1238	M	90.3	Very high	88.2	Confident	54 Å²	54	47.4 Å²	47.4	27%	0.266	22%	0.224	S	C	.	.	H	α-helix	trans	-62.7	-43.4	177.8	-68.8	-52.8	-66.3	0	0	111.9	L1098 F1234 Y1235 K1242	L1098-M1238 HydrophobicContact CD1-CB 4.31Å; F1234-M1238 HydrophobicContact CD2-CG 4.19Å; F1234-M1238 HydrophobicContact CE2-CG 3.81Å; F1234-M1238 HydrophobicContact CE2-SD 4.13Å; F1234-M1238 HydrophobicContact CZ-CG 4.03Å; F1234-M1238 WeakPolarHBondContact O-CG 3.35Å; F1234-M1238 PolarHBondContact O-N 3.19Å; Y1235-M1238 PolarHBondContact O-N 3.1Å; M1238-K1242 PolarHBondContact O-N 2.94Å
1239	K	88.6	Confident	88.6	Confident	51 Å²	51	53.5 Å²	53.5	22%	0.222	25%	0.25	C	S	.	.	H	α-helix	trans	-62.9	-49	173.7	-176.5	175.5	179.8	176.5	0	111.4	L1098 Y1235 R1241 K1242 D1243	L1098-K1239 HydrophobicContact CD2-CB 4.25Å; Y1235-K1239 WeakPolarHBondContact O-CB 3.32Å; Y1235-K1239 PolarHBondContact O-N 3.18Å; K1239-R1241 VanDerWaalsContact C-N 3.33Å; K1239-R1241 PolarHBondContact O-N 2.88Å; K1239-K1242 WeakPolarHBondContact O-CB 3.48Å; K1239-K1242 PolarHBondContact O-N 2.78Å; K1239-K1242 VanDerWaalsContact O-N 3.15Å; K1239-D1243 VanDerWaalsContact O-CG 3.31Å; K1239-D1243 PolarHBondContact O-N 2.79Å
1240	S	90.7	Very high	89.2	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.9	-36.8	-178.4	-162.9	0	0	0	0	112.5	F1206 M1236 R1237 K1242 D1243 V1244	F1206-S1240 WeakPolarHBondContact CA-OG 3.18Å; F1206-S1240 PolarHBondContact N-OG 2.94Å; M1236-S1240 WeakPolarHBondContact O-CB 3.49Å; M1236-S1240 PolarHBondContact O-N 3.04Å; R1237-S1240 PolarHBondContact O-N 3.01Å; S1240-K1242 VanDerWaalsContact C-N 3.33Å; S1240-D1243 PolarHBondContact O-N 2.87Å; S1240-V1244 VanDerWaalsContact O-CG2 3.28Å; S1240-V1244 WeakPolarHBondContact O-CG2 3.39Å; S1240-V1244 PolarHBondContact O-N 3.37Å
1241	R	91.2	Very high	89.8	Confident	132 Å²	132	49.2 Å²	49.2	50%	0.498	23%	0.234	S	C	.	.	H	α-helix	trans	-58	-48.4	172.8	-176.5	178.8	177.8	166.1	4	110.7	F1206 R1237 K1239 V1244 D1245	F1206-R1241 HydrophobicContact CD2-CB 4.02Å; F1206-R1241 HydrophobicContact CE2-CB 3.62Å; F1206-R1241 HydrophobicContact CE2-CG 4.16Å; F1206-R1241 HydrophobicContact CZ-CB 4.35Å; F1206-R1241 HydrophobicContact CZ-CG 4.4Å; R1237-R1241 WeakPolarHBondContact O-CB 3.34Å; R1237-R1241 PolarHBondContact O-N 2.82Å; K1239-R1241 VanDerWaalsContact C-N 3.33Å; K1239-R1241 PolarHBondContact O-N 2.88Å; R1241-V1244 PolarHBondContact O-N 2.95Å; R1241-D1245 VanDerWaalsContact O-CG 3.3Å; R1241-D1245 PolarHBondContact O-N 3.46Å
1242	K	87.8	Confident	90.1	Very high	40 Å²	40	54 Å²	54	17%	0.174	26%	0.255	C	S	.	.	H	α-helix	trans	-64.3	-43.5	179.3	-168.6	-179	-169.2	172.7	0	112.5	L1098 E1099 N1101 M1238 K1239 S1240 V1244 D1245 E1246	L1098-K1242 PolarHBondContact O-NZ 3.31Å; E1099-K1242 PolarHBondContact O-NZ 3.35Å; N1101-K1242 WeakPolarHBondContact ND2-CE 3.4Å; N1101-K1242 PolarHBondContact ND2-NZ 2.93Å; N1101-K1242 VanDerWaalsContact OD1-CE 3.31Å; N1101-K1242 WeakPolarHBondContact OD1-CE 3.14Å; N1101-K1242 PolarHBondContact OD1-NZ 2.83Å; M1238-K1242 PolarHBondContact O-N 2.94Å; K1239-K1242 WeakPolarHBondContact O-CB 3.48Å; K1239-K1242 PolarHBondContact O-N 2.78Å; K1239-K1242 VanDerWaalsContact O-N 3.15Å; S1240-K1242 VanDerWaalsContact C-N 3.33Å; K1242-V1244 VanDerWaalsContact C-N 3.28Å; K1242-V1244 PolarHBondContact O-N 3.49Å; K1242-D1245 PolarHBondContact O-N 2.84Å; K1242-E1246 WeakPolarHBondContact CE-OE1 3.29Å; K1242-E1246 WeakPolarHBondContact O-CG 3.4Å; K1242-E1246 PolarHBondContact O-N 3.22Å
1243	D	90.3	Very high	90.4	Very high	46 Å²	46	54.6 Å²	54.6	25%	0.246	25%	0.251	C	S	.	.	H	α-helix	trans	-60.1	-40.4	177	-66.7	-20.4	0	0	0	110.8	L1202 K1239 S1240 A1247	L1202-D1243 HydrophobicContact CD1-CB 4.18Å; L1202-D1243 HydrophobicContact CD2-CB 3.94Å; K1239-D1243 VanDerWaalsContact O-CG 3.31Å; K1239-D1243 PolarHBondContact O-N 2.79Å; S1240-D1243 PolarHBondContact O-N 2.87Å; D1243-A1247 VanDerWaalsContact O-CB 3.31Å; D1243-A1247 WeakPolarHBondContact O-CB 3.36Å; D1243-A1247 PolarHBondContact O-N 3.07Å
1244	V	93.7	Very high	90.4	Very high	19 Å²	19	53.3 Å²	53.3	12%	0.115	24%	0.244	C	C	.	.	H	α-helix	trans	-63.3	-47.8	173.3	170.6	0	0	0	0	111	L1199 L1202 E1203 F1206 S1240 R1241 K1242 E1246 A1247 Y1248	L1199-V1244 HydrophobicContact CD1-CG1 4.24Å; L1202-V1244 VanDerWaalsContact C-CG2 3.49Å; L1202-V1244 HydrophobicContact CB-CG2 3.73Å; E1203-V1244 HydrophobicContact CG-CG1 4.01Å; E1203-V1244 HydrophobicContact CG-CG2 4.28Å; F1206-V1244 HydrophobicContact CB-CG2 4.03Å; S1240-V1244 VanDerWaalsContact O-CG2 3.28Å; S1240-V1244 WeakPolarHBondContact O-CG2 3.39Å; S1240-V1244 PolarHBondContact O-N 3.37Å; R1241-V1244 PolarHBondContact O-N 2.95Å; K1242-V1244 VanDerWaalsContact C-N 3.28Å; K1242-V1244 PolarHBondContact O-N 3.49Å; V1244-E1246 VanDerWaalsContact C-N 3.31Å; V1244-E1246 PolarHBondContact O-N 3.08Å; V1244-A1247 PolarHBondContact O-N 3.2Å; V1244-Y1248 WeakPolarHBondContact O-CB 3.21Å; V1244-Y1248 PolarHBondContact O-N 2.81Å
1245	D	92.1	Very high	90.3	Very high	78 Å²	78	55.1 Å²	55.1	42%	0.417	27%	0.266	S	S	.	.	H	α-helix	trans	-60.4	-39.3	179	-69.4	-23.2	0	0	0	112.2	R1241 K1242 K1249	R1241-D1245 VanDerWaalsContact O-CG 3.3Å; R1241-D1245 PolarHBondContact O-N 3.46Å; K1242-D1245 PolarHBondContact O-N 2.84Å; D1245-K1249 VanDerWaalsContact O-CG 3.3Å; D1245-K1249 WeakPolarHBondContact O-CG 3.46Å; D1245-K1249 PolarHBondContact O-N 3.25Å; D1245-K1249 VanDerWaalsContact O-N 3.1Å
1246	E	89	Confident	90.1	Very high	81 Å²	81	61.9 Å²	61.9	38%	0.379	30%	0.302	S	S	.	.	H	α-helix	trans	-70.7	-40.9	176.3	-72.6	-176.3	-171.4	0	0	112.5	N1101 K1242 V1244 K1249 T1250	N1101-E1246 PolarHBondContact ND2-OE1 2.82Å; K1242-E1246 WeakPolarHBondContact CE-OE1 3.29Å; K1242-E1246 WeakPolarHBondContact O-CG 3.4Å; K1242-E1246 PolarHBondContact O-N 3.22Å; V1244-E1246 VanDerWaalsContact C-N 3.31Å; V1244-E1246 PolarHBondContact O-N 3.08Å; E1246-K1249 PolarHBondContact O-N 3.06Å; E1246-T1250 PolarHBondContact O-N 2.73Å; E1246-T1250 PolarHBondContact O-OG1 2.8Å
1247	A	92.5	Very high	89.6	Confident	13 Å²	13	61 Å²	61	11%	0.107	30%	0.302	C	S	.	.	H	α-helix	trans	-64.4	-41.4	174.6	0	0	0	0	0	111.3	L1199 L1202 D1243 V1244 T1250 I1251	L1199-A1247 HydrophobicContact CB-CB 4.36Å; L1199-A1247 HydrophobicContact CD1-CB 3.77Å; L1202-A1247 HydrophobicContact CD1-CB 3.75Å; D1243-A1247 VanDerWaalsContact O-CB 3.31Å; D1243-A1247 WeakPolarHBondContact O-CB 3.36Å; D1243-A1247 PolarHBondContact O-N 3.07Å; V1244-A1247 PolarHBondContact O-N 3.2Å; A1247-T1250 WeakPolarHBondContact O-CA 3.25Å; A1247-T1250 VanDerWaalsContact O-CB 3.31Å; A1247-T1250 WeakPolarHBondContact O-CB 3.22Å; A1247-T1250 PolarHBondContact O-N 3.32Å; A1247-T1250 VanDerWaalsContact O-N 3.08Å; A1247-I1251 WeakPolarHBondContact O-CG1 3.39Å; A1247-I1251 PolarHBondContact O-N 3.34Å
1248	Y	93.4	Very high	89	Confident	121 Å²	121	67.5 Å²	67.5	48%	0.475	34%	0.338	S	S	.	.	H	α-helix	trans	-61.9	-45.3	176.2	-172.8	-104	0	0	0	111.9	L1199 V1244 T1250 I1251 Q1252	L1199-Y1248 HydrophobicContact CD2-CD2 4.35Å; V1244-Y1248 WeakPolarHBondContact O-CB 3.21Å; V1244-Y1248 PolarHBondContact O-N 2.81Å; Y1248-T1250 PolarHBondContact O-N 2.75Å; Y1248-I1251 PolarHBondContact O-N 3.49Å; Y1248-I1251 VanDerWaalsContact O-N 3.14Å; Y1248-Q1252 HydrophobicContact CD1-CG 4.24Å; Y1248-Q1252 HydrophobicContact CE1-CG 4Å; Y1248-Q1252 WeakPolarHBondContact O-CG 3.32Å; Y1248-Q1252 PolarHBondContact O-N 2.85Å
1249	K	90.6	Very high	88.4	Confident	132 Å²	132	72.8 Å²	72.8	57%	0.574	36%	0.355	S	S	*	.	H	α-helix	trans	-58.7	-34.3	172.4	-74.4	169.8	-175.1	170	0	112.6	D1245 E1246	D1245-K1249 VanDerWaalsContact O-CG 3.3Å; D1245-K1249 WeakPolarHBondContact O-CG 3.46Å; D1245-K1249 PolarHBondContact O-N 3.25Å; D1245-K1249 VanDerWaalsContact O-N 3.1Å; E1246-K1249 PolarHBondContact O-N 3.06Å
1250	T	90.1	Very high	88.4	Confident	39 Å²	39	73.9 Å²	73.9	24%	0.239	36%	0.361	C	S	.	.	H	α-helix	trans	-67.6	-42.7	176.3	-60.4	0	0	0	0	111.2	I1165 E1246 A1247 Y1248 R1253	I1165-T1250 HydrophobicContact CD1-CG2 3.64Å; I1165-T1250 HydrophobicContact CG1-CG2 4.15Å; I1165-T1250 HydrophobicContact CG2-CG2 4.34Å; E1246-T1250 PolarHBondContact O-N 2.73Å; E1246-T1250 PolarHBondContact O-OG1 2.8Å; A1247-T1250 WeakPolarHBondContact O-CA 3.25Å; A1247-T1250 VanDerWaalsContact O-CB 3.31Å; A1247-T1250 WeakPolarHBondContact O-CB 3.22Å; A1247-T1250 PolarHBondContact O-N 3.32Å; A1247-T1250 VanDerWaalsContact O-N 3.08Å; Y1248-T1250 PolarHBondContact O-N 2.75Å; T1250-R1253 WeakPolarHBondContact O-CB 3.26Å; T1250-R1253 PolarHBondContact O-N 3.32Å
1251	I	91	Very high	88.3	Confident	19 Å²	19	77.7 Å²	77.7	10%	0.097	38%	0.38	C	S	.	.	H	α-helix	trans	-63.2	-42	175.1	-67.9	-56.9	0	0	0	112	Y1192 E1195 I1196 L1199 A1247 Y1248 R1253 F1254	Y1192-I1251 HydrophobicContact CE2-CD1 4.43Å; Y1192-I1251 HydrophobicContact CE2-CG2 4.04Å; E1195-I1251 HydrophobicContact CB-CD1 3.56Å; I1196-I1251 HydrophobicContact CD1-CB 4.48Å; I1196-I1251 HydrophobicContact CD1-CD1 3.6Å; I1196-I1251 HydrophobicContact CD1-CG1 3.82Å; I1196-I1251 HydrophobicContact CD1-CG2 3.82Å; I1196-I1251 HydrophobicContact CG1-CD1 3.76Å; L1199-I1251 HydrophobicContact CD2-CG1 4Å; A1247-I1251 WeakPolarHBondContact O-CG1 3.39Å; A1247-I1251 PolarHBondContact O-N 3.34Å; Y1248-I1251 PolarHBondContact O-N 3.49Å; Y1248-I1251 VanDerWaalsContact O-N 3.14Å; I1251-R1253 PolarHBondContact O-N 3.49Å; I1251-R1253 VanDerWaalsContact O-N 3.07Å; I1251-F1254 PolarHBondContact O-N 3.35Å
1252	Q	90.6	Very high	88.1	Confident	110 Å²	110	74.7 Å²	74.7	51%	0.514	37%	0.374	S	S	.	.	H	α-helix	trans	-56.5	-27.3	178.5	-75.1	-176.3	-28.9	0	0	113.6	Y1248 F1254 G1255	Y1248-Q1252 HydrophobicContact CD1-CG 4.24Å; Y1248-Q1252 HydrophobicContact CE1-CG 4Å; Y1248-Q1252 WeakPolarHBondContact O-CG 3.32Å; Y1248-Q1252 PolarHBondContact O-N 2.85Å; Q1252-F1254 PolarHBondContact O-N 3.5Å; Q1252-G1255 PolarHBondContact O-N 2.76Å
1253	R	90	Very high	88.1	Confident	65 Å²	65	76.8 Å²	76.8	25%	0.245	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-18.9	177.8	-67.1	178.8	60.9	-158.1	-6.8	114.1	S1163 I1165 L1171 S1178 A1179 T1250 I1251 G1255	S1163-R1253 PolarHBondContact O-NH1 3.07Å; S1163-R1253 PolarHBondContact O-NH2 3.44Å; I1165-R1253 HydrophobicContact CD1-CB 4.3Å; L1171-R1253 VanDerWaalsContact CD1-NH2 3.33Å; S1178-R1253 PolarHBondContact O-NH2 3.43Å; A1179-R1253 HydrophobicContact CB-CB 4.09Å; A1179-R1253 WeakPolarHBondContact CB-O 3.26Å; A1179-R1253 PolarHBondContact N-O 2.75Å; T1250-R1253 WeakPolarHBondContact O-CB 3.26Å; T1250-R1253 PolarHBondContact O-N 3.32Å; I1251-R1253 PolarHBondContact O-N 3.49Å; I1251-R1253 VanDerWaalsContact O-N 3.07Å; R1253-G1255 VanDerWaalsContact C-N 3.25Å
1254	F	90.1	Very high	88	Confident	21 Å²	21	78.7 Å²	78.7	9%	0.092	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-10.8	174.8	-67.3	-82.6	0	0	0	112.5	I1165 A1179 L1180 I1191 Y1192 E1195 I1251 Q1252 W1259	I1165-F1254 HydrophobicContact CB-CZ 4.22Å; I1165-F1254 HydrophobicContact CD1-CD2 4.1Å; I1165-F1254 HydrophobicContact CD1-CE1 4.44Å; I1165-F1254 HydrophobicContact CD1-CE2 3.42Å; I1165-F1254 VanDerWaalsContact CD1-CE2 3.42Å; I1165-F1254 HydrophobicContact CD1-CZ 3.65Å; I1165-F1254 HydrophobicContact CG2-CE2 4.47Å; I1165-F1254 HydrophobicContact CG2-CZ 4.12Å; A1179-F1254 HydrophobicContact CB-CB 4.35Å; A1179-F1254 HydrophobicContact CB-CD1 3.25Å; A1179-F1254 HydrophobicContact CB-CD2 4.12Å; A1179-F1254 HydrophobicContact CB-CE1 3.55Å; A1179-F1254 HydrophobicContact CB-CE2 4.32Å; A1179-F1254 HydrophobicContact CB-CG 3.63Å; A1179-F1254 HydrophobicContact CB-CZ 4.08Å; L1180-F1254 HydrophobicContact CD1-CE1 3.96Å; L1180-F1254 HydrophobicContact CD2-CE1 3.99Å; L1180-F1254 HydrophobicContact CD2-CZ 4.45Å; L1180-F1254 HydrophobicContact CG-CD1 4.49Å; L1180-F1254 HydrophobicContact CG-CE1 3.89Å; I1191-F1254 HydrophobicContact CG2-CE1 4.47Å; I1191-F1254 HydrophobicContact CG2-CZ 3.97Å; Y1192-F1254 HydrophobicContact CD2-CB 3.82Å; Y1192-F1254 HydrophobicContact CD2-CD1 4.27Å; Y1192-F1254 AromaticContact CD2-CD2 3.66Å; Y1192-F1254 HydrophobicContact CD2-CD2 3.66Å; Y1192-F1254 HydrophobicContact CD2-CE2 4.19Å; Y1192-F1254 AromaticContact CD2-CG 3.68Å; Y1192-F1254 HydrophobicContact CD2-CG 3.68Å; Y1192-F1254 HydrophobicContact CE2-CB 4.16Å; Y1192-F1254 HydrophobicContact CE2-CD2 4.33Å; Y1192-F1254 HydrophobicContact CE2-CG 4.41Å; E1195-F1254 HydrophobicContact CG-CE2 4.43Å; I1251-F1254 PolarHBondContact O-N 3.35Å; Q1252-F1254 PolarHBondContact O-N 3.5Å; F1254-W1259 HydrophobicContact CB-CH2 4.15Å; F1254-W1259 AromaticContact CD1-CH2 3.63Å; F1254-W1259 HydrophobicContact CD1-CH2 3.63Å; F1254-W1259 HydrophobicContact CD1-CZ2 4.43Å; F1254-W1259 HydrophobicContact CE1-CH2 4.42Å; F1254-W1259 HydrophobicContact CG-CH2 4.27Å
1255	G	85.9	Confident	87.6	Confident	51 Å²	51	82.7 Å²	82.7	53%	0.526	41%	0.413	S	S	.	.			trans	66.3	-150	-175.1	0	0	0	0	0	111.9	Q1252 R1253 P1257	Q1252-G1255 PolarHBondContact O-N 2.76Å; R1253-G1255 VanDerWaalsContact C-N 3.25Å; G1255-P1257 VanDerWaalsContact O-CD 3.29Å; G1255-P1257 WeakPolarHBondContact O-CD 3.29Å
1256	N	82.3	Confident	87.3	Confident	146 Å²	146	83 Å²	83	78%	0.781	41%	0.412	S	S	*	.	S	Bend	trans	-85.3	110.9	173.3	-165.9	8.8	0	0	0	109.2	N1258	N1256-N1258 PolarHBondContact O-N 2.98Å
1257	P	79.3	Confident	87.1	Confident	48 Å²	48	83.2 Å²	83.2	31%	0.312	42%	0.415	S	S	.	.			trans	-61.8	118.3	-178.6	22.4	-31.2	0	0	0	111.2	Y1192 G1255 W1259	Y1192-P1257 HydrophobicContact CE1-CG 4.39Å; G1255-P1257 VanDerWaalsContact O-CD 3.29Å; G1255-P1257 WeakPolarHBondContact O-CD 3.29Å; P1257-W1259 HydrophobicContact CB-CZ2 3.69Å
1258	N	80.6	Confident	86.7	Confident	152 Å²	152	89 Å²	89	81%	0.813	44%	0.441	S	S	*	.			trans	-126.3	14.3	-178.5	62.1	-15.5	0	0	0	113.7	N1256	N1256-N1258 PolarHBondContact O-N 2.98Å
1259	W	76.6	Confident	86.1	Confident	164 Å²	164	86.1 Å²	86.1	62%	0.621	44%	0.438	S	S	*	.			trans	-72.4	0	-178.8	25.6	50.6	0	0	0	114.8	A1188 Y1192 F1254 P1257	A1188-W1259 HydrophobicContact CB-CD2 4.24Å; A1188-W1259 HydrophobicContact CB-CE3 3.35Å; A1188-W1259 HydrophobicContact CB-CH2 3.81Å; A1188-W1259 HydrophobicContact CB-CZ3 3.12Å; Y1192-W1259 HydrophobicContact CD2-CZ2 4.16Å; Y1192-W1259 AromaticContact CG-CZ2 3.94Å; Y1192-W1259 HydrophobicContact CG-CZ2 3.94Å; F1254-W1259 HydrophobicContact CB-CH2 4.15Å; F1254-W1259 AromaticContact CD1-CH2 3.63Å; F1254-W1259 HydrophobicContact CD1-CH2 3.63Å; F1254-W1259 HydrophobicContact CD1-CZ2 4.43Å; F1254-W1259 HydrophobicContact CE1-CH2 4.42Å; F1254-W1259 HydrophobicContact CG-CH2 4.27Å; P1257-W1259 HydrophobicContact CB-CZ2 3.69Å

Retrieved 1,259 of 1,259 residues in 1440.3 ms (Link to these results)

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