A0A5K4F1Q2_SCHMA Loading...

PDZ domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F1Q2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,550 aa.

						>A0A5K4F1Q2_SCHMA|A0A5K4F1Q2
MLESPYPSTQGRKAIRTLTAPLFFNNPENICATNKDLLRYCLDSPTTTSQPNLNGRVSRSNISSSSDHIGRKLSVNGVHEVRDRSLPGTISKQEVHSVYSLHQHRKNTYIQIRDPINNENRSPSRQTRRREVIRCWSRERITRSETVLSIRPPSSKQTERNVESNNLCKSRLTASTSAFNNSHFLPIINKSESFSSLPTAIRHIPIQLADNHLADTQSITNDALKSIPISNQFPEIKRQISNKIQKLSFSSIEYSEYTDNSTQISNNLESPIEQNSMITENLLPTTEINHDNDMNSQNIELNEIIKRQIDEFQNDSKMMQINENRIDSLPSCSNNNSNNDDNVDSYNNNGDDDDENSSASRYSTAESSPCEDFEPNINKFNKIKKYNTDNQNNKTIGEKIDKLRQNKNSKEKLTNSTMNNQSVALEFRTIVQRDEYGYGFRVCGNKPVSVHNVRKDGNAEKAGLKAGDQIIEVNGILAIDLNHEDVVEQIRSRNQVSLRLRRLRYQVVDGLTGYRVGSMRNLTCNEAPILRSQQRHHYQKRRSVRESSSTGNTASAVVRRRPRLGTQTFKIARSCSPPPLASVDSMNDSMGPHTDEDIDWRKEEETNLEPNPDLSPQIPPSNAASLPPTSRMVRPRSSIGPSDRTSKERPVSSGPDMFGLFKRGSVKDVNHPECLKEEDSPMDGSSRDTTTANNKNSSNGSNSSSNSSSKSLSRMSFPGHSKSNGTSNKKTTGNLKDQSTFSSSTPPLGHVMGRNFDDEGESDLSNANDLAHLSSEFDSATSVLNSPAKCAMFIDYLFSHKRDPTWTLFHIVNQYFQRSMASSKELFKDEKRVCLEIFTTFLHEKSPLRLDVRTPIALKSFDFNECSKLFNFIDQQCLNQIELQVSKLAEAINLGMDTWCLSEPIDFVLFRNKEEELACFESRLSSYLDALHQLSTGSCIDNPIALSICRLPNTSGSVTYDQITQAITTCLVTAHRYYSMSQISSADYPETRDSGHSIRHSLFARSFENLTTSALGLGSVSGSIGSGLSSAGSHLWTKLTPYCAKSKQKSHSLLNRKSKWSHKGHSFYEYTYERIADCGVCGFLLWGLSSQGFNCNNCDLFIHLKCKNGIRDHCSREGRRTTGVASANVLSGILGSIPNLTMDTHVPGNAPNQTNESCNKVPLNSNQIGSNDLIHHCCTTHRRCGSDTRHKQKKANTLKDFHLLPSFLHRNNNANSVDNPHDVVASLDETINSSCQDSSGLNETSSISGSGGGDTSINFPSPGLSKRDSISSMSVGSTCQTPVDSYLQSGIGQTDKIKSNGEEFGIMGNDSLKIAPNHSTVLFSSEDIKVPLDSKSSLRHRLSITIKQGYVKQMKNLYEGSEIIQETIPTSRSDSVVSNISLNLPASSNTTGPCDRPVETTSPPASSSLSSPVSNINETVRELVTTDWSDDPEMIAGASFEAAVELRAQFPNFQMPSKGQKSEEYIRTLVLLEFHQKTQYMVRHLKQYEYLLLRRWPVEHAKLSKILCLDQIPILINLFRSLVTCIDQTKTEQGYRGMAEAVLAWLTDNSSANLKTWARHCQALSCSNMLESVRHSVRDYVRRHPDIVPLLQTRHNKFVLIEGLKQMRILYFNLPLIANNIAKDLEKRTKMYKAEAKIWQQIQLKLASLPQTIDNVCMPLVKRINLGQLCTSLDKKDILSKPLPDLLLPFQHLLLNFPRVLFHHWVVAHAEVTVDKLTANRSNKVNHDYICERTEMLAILLHNALILMVKDGERYILRSFKAVREQGGCSGSSGISSTSASNSSTVERLSSFGSPGTTSEKDRPNSGNISGYSSISSCSSLISLPGSNTQSHTSLVSAAASAAVASMTDRSSTSLGSSKLVPIFPLIDVFTSCGEKFGGDHLLNIVFMKQTVLIRLLFSKEDERQNWSAYIQENSVTTQSIDRQRVLKPSASAAAASSSPSSSTQNRPTIGITSESLISKTSGNTPTADEVSVITPQPSTQDLKTSFGKLPTTSSTTTKNDKTTYPSDINSFDLISSGEESTVFVDKLQTAMNELLGQTRQIICEKYNISKEELANAMNESDDVDDILNPGKILLFQIKYFAKCYNLITRTLAPQPSTSFLNQIQDHLESINDKDHQELEILMRQKKRQSSLSWTEGYLESLSRNPVLNVGRNRVIGSTESERSRFNVIDALPDDSKAIQSSPNLVGSDSERSRIEIQDKRKSKRRSRKSEAGPVSNLDFTFFDNLLNKELITMAPVFAKSVMCLCKLTHQDLSPNNLLKESSNSRKSLSRPSIQIDSQIHWTKAGDIECPVSGSTEEVEDEEVRTLANSIIDLSCSQTTDTLRLDTLSTEQSDAIHSGFDLSADNSDQDLDSVAAQLVSDVLENAKNYFSNHITKSNDAEQKTVNVIRDSGCAPSATDEDEDYYYEEEIDDDVDDDHVNNDETVEEISENHIDILTSSGTISTSDTSTPKFVGVASIFDDASLDQSNQLDKTSSIHDDLLIDNDVIDVVAPCPAIFMSGITTSIDPPTIITTTTTNIITNNNTTITTNIGRNDSQKSTTSSGYVDSSDD
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	25.7	Very low	28.5	Very low	197 Å²	197	114 Å²	114	97%	0.97	63%	0.626	S	S	*	*				0	111.7	0	-61.9	-169.6	82.6	0	0	107.8	E3	M1-E3 WeakPolarHBondContact CA-OE2 2.99Å; M1-E3 PolarHBondContact N-OE1 2.65Å; M1-E3 PolarHBondContact N-OE2 3.39Å
2	L	25.6	Very low	28.8	Very low	124 Å²	124	123.1 Å²	123.1	65%	0.649	64%	0.644	S	S	*	*			cis	-125.5	150.3	-0.6	-70.4	171.7	0	0	0	111.5	A1838	L2-A1838 HydrophobicContact CD1-CB 3.63Å
3	E	30.8	Very low	29.5	Very low	132 Å²	132	125.5 Å²	125.5	62%	0.617	65%	0.646	S	S	*	*			trans	-135.1	150.3	-162.8	-66	77.2	-159.1	0	0	110.1	M1	M1-E3 WeakPolarHBondContact CA-OE2 2.99Å; M1-E3 PolarHBondContact N-OE1 2.65Å; M1-E3 PolarHBondContact N-OE2 3.39Å
4	S	26.5	Very low	30.5	Very low	95 Å²	95	118.8 Å²	118.8	66%	0.664	62%	0.619	S	S	*	*			cis	71.5	167.7	28.1	100	0	0	0	0	114
5	P	39.1	Very low	30.7	Very low	92 Å²	92	114.5 Å²	114.5	60%	0.597	60%	0.596	S	S	*	*			cis	-139.6	-161.2	-6.1	32.3	-8.1	0	0	0	113.7
6	Y	26.3	Very low	31.1	Very low	204 Å²	204	116.6 Å²	116.6	80%	0.8	59%	0.594	S	S	*	*			trans	64.4	160.2	148	-75.1	-41.2	0	0	0	122.8
7	P	31.3	Very low	31.5	Very low	100 Å²	100	115.9 Å²	115.9	65%	0.649	60%	0.597	S	S	*	*			trans	-86.5	-179.8	161.3	37.3	-34.8	0	0	0	112.1
8	S	24.7	Very low	31.3	Very low	53 Å²	53	117.8 Å²	117.8	37%	0.371	61%	0.607	S	S	.	*				143	171.1	128.2	80.7	0	0	0	0	116.8	R140 I141	S8-R140 VanDerWaalsContact OG-CD 3.29Å; S8-R140 WeakPolarHBondContact OG-CD 3.15Å; S8-R140 WeakPolarHBondContact OG-CG 3.07Å; S8-I141 WeakPolarHBondContact OG-CD1 3.43Å
9	T	27.3	Very low	31.1	Very low	74 Å²	74	118.1 Å²	118.1	45%	0.454	62%	0.615	S	S	.	*			trans	-144.2	171.5	-153.5	67.6	0	0	0	0	119.7	R138 E139 R140	T9-R138 PolarHBondContact OG1-NH2 2.83Å; T9-E139 WeakPolarHBondContact O-CG 3.23Å; T9-E139 PolarHBondContact OG1-OE1 2.76Å; T9-R140 WeakPolarHBondContact O-CD 3.49Å; T9-R140 PolarHBondContact O-NE 2.92Å; T9-R140 PolarHBondContact OG1-NE 3.02Å; T9-R140 PolarHBondContact OG1-NH2 3.41Å
10	Q	27.1	Very low	31.1	Very low	137 Å²	137	116.7 Å²	116.7	64%	0.64	62%	0.622	S	S	*	*			trans	102.6	139.7	136	-124.2	-175.4	2.7	0	0	124.4	E139	Q10-E139 WeakPolarHBondContact CB-OE2 3.34Å; Q10-E139 PolarHBondContact OE1-OE1 3.18Å; Q10-E139 PolarHBondContact OE1-OE2 3.39Å
11	G	29.7	Very low	31.2	Very low	46 Å²	46	116.6 Å²	116.6	47%	0.474	63%	0.627	S	S	.	*			trans	112.6	147.3	153.8	0	0	0	0	0	117.4
12	R	32	Very low	31.1	Very low	223 Å²	223	114 Å²	114	84%	0.842	62%	0.617	S	S	*	*			cis	-140.2	-143.1	-0.5	-69.1	-163.4	169.4	-155.7	-2.1	113.9	C31	R12-C31 WeakPolarHBondContact CD-O 3.04Å
13	K	37.4	Very low	31.2	Very low	154 Å²	154	116.5 Å²	116.5	67%	0.67	62%	0.623	S	S	*	*			trans	-162.6	122.5	-148.3	-175.9	-107.6	178.7	-175.8	0	120.1	A32	K13-A32 VanDerWaalsContact C-C 3.43Å; K13-A32 CarbonylContact C-O 3.59Å; K13-A32 PolarHBondContact N-O 2.81Å; K13-A32 CarbonylContact O-C 3.6Å; K13-A32 WeakPolarHBondContact O-CA 3.48Å
14	A	43.3	Very low	31.1	Very low	32 Å²	32	117.2 Å²	117.2	26%	0.264	62%	0.624	S	S	.	*	B	Isolated β-bridge	trans	76.9	154.7	141.1	0	0	0	0	0	125	A32 T33 N34	A14-A32 CarbonylContact O-C 3.23Å; A14-T33 PolarHBondContact N-O 2.67Å; A14-T33 CarbonylContact O-C 3.31Å; A14-T33 WeakPolarHBondContact O-CA 3.46Å; A14-T33 PolarHBondContact O-N 3.27Å; A14-N34 CarbonylContact C-O 3.51Å; A14-N34 VanDerWaalsContact C-O 3.31Å; A14-N34 VanDerWaalsContact CA-N 3.27Å; A14-N34 WeakPolarHBondContact CA-O 3.5Å; A14-N34 PolarHBondContact O-N 2.85Å
15	I	34.3	Very low	31.4	Very low	54 Å²	54	118.8 Å²	118.8	28%	0.277	63%	0.625	S	S	.	*			trans	-174	153.3	174.5	-84.4	-123.3	0	0	0	106.1	N34 K35 P51 N52	I15-N34 PolarHBondContact N-O 2.88Å; I15-N34 CarbonylContact O-C 3.31Å; I15-N34 VanDerWaalsContact O-C 3.23Å; I15-K35 WeakPolarHBondContact CG2-O 3.35Å; I15-K35 PolarHBondContact O-N 3.27Å; I15-P51 HydrophobicContact CD1-CB 4.45Å; I15-N52 WeakPolarHBondContact CD1-O 3.15Å
16	R	36.8	Very low	31.1	Very low	149 Å²	149	121 Å²	121	56%	0.562	63%	0.631	S	S	*	*			cis	-165	174.8	47.5	-150.2	-170.8	-163	-130.2	15.6	109.8	D36	R16-D36 IonicContact CZ-OD1 3.72Å; R16-D36 IonicContact CZ-OD2 3.18Å; R16-D36 IonicContact NE-OD1 3.88Å; R16-D36 IonicContact NE-OD2 2.76Å; R16-D36 PolarHBondContact NE-OD2 2.91Å; R16-D36 IonicContact NH2-OD1 2.97Å; R16-D36 PolarHBondContact NH2-OD1 2.82Å; R16-D36 IonicContact NH2-OD2 2.77Å; R16-D36 PolarHBondContact NH2-OD2 3.01Å
17	T	37.5	Very low	31.3	Very low	105 Å²	105	116.1 Å²	116.1	64%	0.644	63%	0.625	S	S	*	*			trans	62.3	-176.7	159.1	36.9	0	0	0	0	117.9
18	L	28	Very low	31.4	Very low	149 Å²	149	118.7 Å²	118.7	78%	0.78	63%	0.628	S	S	*	*				165.1	139.9	-80.6	-82.1	174.1	0	0	0	109.3
19	T	27.4	Very low	31.8	Very low	124 Å²	124	122.1 Å²	122.1	76%	0.761	64%	0.643	S	S	*	*			cis	-168.5	170.8	-14.3	1.4	0	0	0	0	111.6
20	A	30.9	Very low	32.1	Very low	90 Å²	90	124.3 Å²	124.3	74%	0.744	65%	0.65	S	S	*	*			trans	78.7	149.6	159.1	0	0	0	0	0	119.9
21	P	32.8	Very low	31.9	Very low	115 Å²	115	122.5 Å²	122.5	75%	0.747	65%	0.651	S	S	*	*			cis	-101.1	133.9	-10.3	36.2	-28	0	0	0	114.3
22	L	24.5	Very low	32.1	Very low	142 Å²	142	121.4 Å²	121.4	74%	0.743	64%	0.638	S	S	*	*				39.2	124.9	124.6	-48.2	173.3	0	0	0	118
23	F	27.1	Very low	32.6	Very low	176 Å²	176	112.6 Å²	112.6	77%	0.772	61%	0.609	S	S	*	*				-143.4	131.4	56.6	-112.5	-113.1	0	0	0	115.2
24	F	29.4	Very low	32.6	Very low	148 Å²	148	108.7 Å²	108.7	65%	0.649	60%	0.596	S	S	*	*			trans	63.7	113	144.6	-79.6	-119.2	0	0	0	122
25	N	32.8	Very low	32.1	Very low	127 Å²	127	112 Å²	112	68%	0.679	60%	0.604	S	S	*	*			trans	71.7	132.1	143.6	-51.8	-6.5	0	0	0	118.3
26	N	31.6	Very low	32.8	Very low	138 Å²	138	111.2 Å²	111.2	74%	0.738	60%	0.601	S	S	*	*			cis	-154.4	165.7	-7.9	-112.4	-13.3	0	0	0	110.5
27	P	31	Very low	32.4	Very low	102 Å²	102	108.9 Å²	108.9	66%	0.662	60%	0.599	S	S	*	*			trans	-74.4	177.2	179.9	32.5	-33	0	0	0	112.2
28	E	34.7	Very low	31.9	Very low	154 Å²	154	108.9 Å²	108.9	72%	0.72	59%	0.594	S	S	*	*				-167.7	160	64	-79.7	-167.1	-174.5	0	0	116.6
29	N	33.1	Very low	32.1	Very low	126 Å²	126	108.6 Å²	108.6	67%	0.674	58%	0.583	S	S	*	*			trans	57.2	116.1	151.6	-56.6	-27	0	0	0	118.9
30	I	32	Very low	32.5	Very low	119 Å²	119	109.9 Å²	109.9	61%	0.61	58%	0.575	S	S	*	*			cis	68.7	97.8	19.6	-44.9	178.7	0	0	0	114.8	A32	I30-A32 HydrophobicContact CG2-CB 3.85Å
31	C	24.4	Very low	32.5	Very low	99 Å²	99	110.9 Å²	110.9	67%	0.669	58%	0.575	S	S	*	*			trans	-154.3	101.3	140.3	-103.4	0	0	0	0	109.9	R12	R12-C31 WeakPolarHBondContact CD-O 3.04Å
32	A	32.7	Very low	32.5	Very low	24 Å²	24	110.7 Å²	110.7	20%	0.198	57%	0.567	C	S	.	*			cis	-165.9	-166.7	-25.6	0	0	0	0	0	105.9	K13 A14 I30	K13-A32 VanDerWaalsContact C-C 3.43Å; K13-A32 CarbonylContact C-O 3.59Å; K13-A32 PolarHBondContact N-O 2.81Å; K13-A32 CarbonylContact O-C 3.6Å; K13-A32 WeakPolarHBondContact O-CA 3.48Å; A14-A32 CarbonylContact O-C 3.23Å; I30-A32 HydrophobicContact CG2-CB 3.85Å
33	T	42.7	Very low	32.8	Very low	38 Å²	38	109.8 Å²	109.8	23%	0.233	56%	0.563	C	S	.	*	B	Isolated β-bridge	trans	82.8	88.2	151.7	86.9	0	0	0	0	116.7	A14 Q50 P51	A14-T33 PolarHBondContact N-O 2.67Å; A14-T33 CarbonylContact O-C 3.31Å; A14-T33 WeakPolarHBondContact O-CA 3.46Å; A14-T33 PolarHBondContact O-N 3.27Å; T33-Q50 VanDerWaalsContact CB-OE1 3.3Å; T33-Q50 WeakPolarHBondContact OG1-CG 3.19Å; T33-Q50 PolarHBondContact OG1-OE1 2.93Å; T33-P51 HydrophobicContact CG2-CB 3.4Å; T33-P51 HydrophobicContact CG2-CG 3.65Å
34	N	36.7	Very low	32.8	Very low	72 Å²	72	105.7 Å²	105.7	39%	0.385	56%	0.556	S	S	.	*			trans	168.5	102.9	153.6	179.7	113.5	0	0	0	114.4	A14 I15 S49 Q50	A14-N34 CarbonylContact C-O 3.51Å; A14-N34 VanDerWaalsContact C-O 3.31Å; A14-N34 VanDerWaalsContact CA-N 3.27Å; A14-N34 WeakPolarHBondContact CA-O 3.5Å; A14-N34 PolarHBondContact O-N 2.85Å; I15-N34 PolarHBondContact N-O 2.88Å; I15-N34 CarbonylContact O-C 3.31Å; I15-N34 VanDerWaalsContact O-C 3.23Å; N34-S49 WeakPolarHBondContact CA-O 3.18Å; N34-S49 VanDerWaalsContact CB-O 3.23Å; N34-S49 WeakPolarHBondContact CB-O 3.49Å; N34-S49 WeakPolarHBondContact OD1-CA 3.47Å; N34-S49 PolarHBondContact OD1-N 3.38Å; N34-S49 PolarHBondContact OD1-O 3.04Å; N34-Q50 WeakPolarHBondContact CA-O 3.39Å; N34-Q50 PolarHBondContact N-O 3.2Å
35	K	33.5	Very low	32.7	Very low	102 Å²	102	103.7 Å²	103.7	44%	0.443	56%	0.558	S	S	.	*	S	Bend	cis	-142.9	138.8	32.4	173.8	-177.9	175.6	171.7	0	116.5	I15 T48 S49 Q50	I15-K35 WeakPolarHBondContact CG2-O 3.35Å; I15-K35 PolarHBondContact O-N 3.27Å; K35-T48 PolarHBondContact NZ-OG1 2.67Å; K35-S49 WeakPolarHBondContact CA-O 3.36Å; K35-S49 WeakPolarHBondContact CB-O 3.23Å; K35-Q50 CarbonylContact C-O 3.57Å; K35-Q50 VanDerWaalsContact C-O 3.24Å; K35-Q50 VanDerWaalsContact CA-O 3.23Å; K35-Q50 WeakPolarHBondContact CA-O 3.24Å
36	D	48.8	Very low	32.6	Very low	37 Å²	37	103.1 Å²	103.1	20%	0.198	56%	0.559	C	S	.	*	S	Bend	trans	136.1	48.9	-165.9	163.8	164.3	0	0	0	114.5	R16 Q50 P51 N52	R16-D36 IonicContact CZ-OD1 3.72Å; R16-D36 IonicContact CZ-OD2 3.18Å; R16-D36 IonicContact NE-OD1 3.88Å; R16-D36 IonicContact NE-OD2 2.76Å; R16-D36 PolarHBondContact NE-OD2 2.91Å; R16-D36 IonicContact NH2-OD1 2.97Å; R16-D36 PolarHBondContact NH2-OD1 2.82Å; R16-D36 IonicContact NH2-OD2 2.77Å; R16-D36 PolarHBondContact NH2-OD2 3.01Å; D36-Q50 VanDerWaalsContact C-C 3.46Å; D36-Q50 CarbonylContact C-O 3.32Å; D36-Q50 VanDerWaalsContact C-O 3.32Å; D36-Q50 PolarHBondContact N-O 3.3Å; D36-P51 VanDerWaalsContact C-N 3.31Å; D36-P51 CarbonylContact O-C 3.24Å; D36-P51 WeakPolarHBondContact O-CA 3.03Å; D36-N52 PolarHBondContact O-N 2.64Å; D36-N52 PolarHBondContact O-ND2 3.04Å; D36-N52 PolarHBondContact OD2-ND2 3.35Å
37	L	28.2	Very low	32.6	Very low	100 Å²	100	102.3 Å²	102.3	52%	0.524	56%	0.56	S	S	.	*	S	Bend	cis	-147.5	156.2	27.4	-61	151.8	0	0	0	112.3	Q50 P51	L37-Q50 VanDerWaalsContact C-CA 3.48Å; L37-Q50 PolarHBondContact N-O 3.34Å; L37-Q50 CarbonylContact O-C 2.77Å; L37-Q50 VanDerWaalsContact O-C 3.31Å; L37-Q50 VanDerWaalsContact O-CA 3.22Å; L37-Q50 WeakPolarHBondContact O-CA 3.2Å; L37-Q50 VanDerWaalsContact O-CB 3.29Å; L37-Q50 WeakPolarHBondContact O-CB 3.27Å; L37-Q50 PolarHBondContact O-N 2.97Å; L37-P51 WeakPolarHBondContact O-CD 3.48Å
38	L	28.6	Very low	32.8	Very low	105 Å²	105	101 Å²	101	55%	0.55	55%	0.55	S	S	.	.			trans	60.8	96.8	160.7	-58.7	172.2	0	0	0	121.6	S49 Q50	L38-S49 VanDerWaalsContact CA-CB 3.48Å; L38-S49 VanDerWaalsContact N-CB 3.29Å; L38-S49 PolarHBondContact N-OG 3.47Å; L38-Q50 VanDerWaalsContact C-N 3.25Å; L38-Q50 VanDerWaalsContact O-CB 3.32Å; L38-Q50 WeakPolarHBondContact O-CB 3.09Å
39	R	30.9	Very low	32.7	Very low	143 Å²	143	94.3 Å²	94.3	54%	0.54	52%	0.52	S	S	.	.			trans	139.4	120.5	136.8	-69.7	148.4	-170.4	179.8	-1.4	123.7	Q50	R39-Q50 HydrophobicContact CB-CG 4.21Å; R39-Q50 VanDerWaalsContact O-CD 3.31Å; R39-Q50 WeakPolarHBondContact O-CG 3.04Å; R39-Q50 PolarHBondContact O-NE2 2.84Å
40	Y	35.6	Very low	32.3	Very low	151 Å²	151	90.8 Å²	90.8	59%	0.592	50%	0.5	S	S	*	.				41.4	131	126.2	-59.7	-52.5	0	0	0	126.5	L42	Y40-L42 HydrophobicContact CD1-CB 4.41Å; Y40-L42 HydrophobicContact CD1-CD2 3.66Å; Y40-L42 HydrophobicContact CD1-CG 3.69Å; Y40-L42 HydrophobicContact CD2-CD1 4.42Å; Y40-L42 HydrophobicContact CD2-CD2 4.01Å; Y40-L42 HydrophobicContact CD2-CG 3.94Å; Y40-L42 HydrophobicContact CE1-CD2 3.34Å; Y40-L42 HydrophobicContact CE1-CG 3.94Å; Y40-L42 HydrophobicContact CE2-CD2 3.75Å; Y40-L42 HydrophobicContact CE2-CG 4.21Å; Y40-L42 HydrophobicContact CG-CD2 3.99Å; Y40-L42 HydrophobicContact CG-CG 3.69Å
41	C	31.8	Very low	32.7	Very low	111 Å²	111	87.5 Å²	87.5	75%	0.75	49%	0.486	S	S	*	.	S	Bend		-86.8	139.6	89.1	-71.8	0	0	0	0	109.7
42	L	32.7	Very low	33.3	Very low	111 Å²	111	86.7 Å²	86.7	58%	0.581	48%	0.475	S	S	*	.	S	Bend	trans	-80.5	144.5	162.6	-70.7	152	0	0	0	106.7	Y40	Y40-L42 HydrophobicContact CD1-CB 4.41Å; Y40-L42 HydrophobicContact CD1-CD2 3.66Å; Y40-L42 HydrophobicContact CD1-CG 3.69Å; Y40-L42 HydrophobicContact CD2-CD1 4.42Å; Y40-L42 HydrophobicContact CD2-CD2 4.01Å; Y40-L42 HydrophobicContact CD2-CG 3.94Å; Y40-L42 HydrophobicContact CE1-CD2 3.34Å; Y40-L42 HydrophobicContact CE1-CG 3.94Å; Y40-L42 HydrophobicContact CE2-CD2 3.75Å; Y40-L42 HydrophobicContact CE2-CG 4.21Å; Y40-L42 HydrophobicContact CG-CD2 3.99Å; Y40-L42 HydrophobicContact CG-CG 3.69Å
43	D	30.6	Very low	33.5	Very low	122 Å²	122	92.3 Å²	92.3	65%	0.652	50%	0.501	S	S	*	.			cis	-151.2	162.8	-1.1	-103.8	-44.1	0	0	0	106.3
44	S	27.5	Very low	33.3	Very low	90 Å²	90	97.6 Å²	97.6	63%	0.629	53%	0.528	S	S	*	.			cis	-164.4	169.7	-19.9	-119.1	0	0	0	0	106.1
45	P	27.3	Very low	33.3	Very low	107 Å²	107	97.9 Å²	97.9	70%	0.695	55%	0.548	S	S	*	.	S	Bend	cis	-121.9	178.8	18	41	-27.6	0	0	0	115.8
46	T	30.9	Very low	33.2	Very low	115 Å²	115	104.4 Å²	104.4	71%	0.706	57%	0.57	S	S	*	*			trans	63.9	83.9	159.9	43.4	0	0	0	0	119.1
47	T	31.6	Very low	32.5	Very low	121 Å²	121	108.5 Å²	108.5	74%	0.742	60%	0.596	S	S	*	*				56.5	129.2	121.3	56.1	0	0	0	0	120.1
48	T	35	Very low	32.7	Very low	74 Å²	74	108.7 Å²	108.7	45%	0.454	61%	0.605	S	S	.	*			cis	-167.7	157.5	8.9	22.7	0	0	0	0	107.6	K35	K35-T48 PolarHBondContact NZ-OG1 2.67Å
49	S	31.2	Very low	32.9	Very low	14 Å²	14	114.3 Å²	114.3	10%	0.098	62%	0.619	C	S	.	*			cis	166.2	-174.5	1	66.2	0	0	0	0	109.6	N34 K35 L38	N34-S49 WeakPolarHBondContact CA-O 3.18Å; N34-S49 VanDerWaalsContact CB-O 3.23Å; N34-S49 WeakPolarHBondContact CB-O 3.49Å; N34-S49 WeakPolarHBondContact OD1-CA 3.47Å; N34-S49 PolarHBondContact OD1-N 3.38Å; N34-S49 PolarHBondContact OD1-O 3.04Å; K35-S49 WeakPolarHBondContact CA-O 3.36Å; K35-S49 WeakPolarHBondContact CB-O 3.23Å; L38-S49 VanDerWaalsContact CA-CB 3.48Å; L38-S49 VanDerWaalsContact N-CB 3.29Å; L38-S49 PolarHBondContact N-OG 3.47Å
50	Q	26.5	Very low	33.1	Very low	52 Å²	52	111.6 Å²	111.6	24%	0.243	62%	0.622	C	S	.	*			trans	-91.7	0	-156.6	-70.2	-165.3	22.8	0	0	126.5	T33 N34 K35 D36 L37 L38 R39	T33-Q50 VanDerWaalsContact CB-OE1 3.3Å; T33-Q50 WeakPolarHBondContact OG1-CG 3.19Å; T33-Q50 PolarHBondContact OG1-OE1 2.93Å; N34-Q50 WeakPolarHBondContact CA-O 3.39Å; N34-Q50 PolarHBondContact N-O 3.2Å; K35-Q50 CarbonylContact C-O 3.57Å; K35-Q50 VanDerWaalsContact C-O 3.24Å; K35-Q50 VanDerWaalsContact CA-O 3.23Å; K35-Q50 WeakPolarHBondContact CA-O 3.24Å; D36-Q50 VanDerWaalsContact C-C 3.46Å; D36-Q50 CarbonylContact C-O 3.32Å; D36-Q50 VanDerWaalsContact C-O 3.32Å; D36-Q50 PolarHBondContact N-O 3.3Å; L37-Q50 VanDerWaalsContact C-CA 3.48Å; L37-Q50 PolarHBondContact N-O 3.34Å; L37-Q50 CarbonylContact O-C 2.77Å; L37-Q50 VanDerWaalsContact O-C 3.31Å; L37-Q50 VanDerWaalsContact O-CA 3.22Å; L37-Q50 WeakPolarHBondContact O-CA 3.2Å; L37-Q50 VanDerWaalsContact O-CB 3.29Å; L37-Q50 WeakPolarHBondContact O-CB 3.27Å; L37-Q50 PolarHBondContact O-N 2.97Å; L38-Q50 VanDerWaalsContact C-N 3.25Å; L38-Q50 VanDerWaalsContact O-CB 3.32Å; L38-Q50 WeakPolarHBondContact O-CB 3.09Å; R39-Q50 HydrophobicContact CB-CG 4.21Å; R39-Q50 VanDerWaalsContact O-CD 3.31Å; R39-Q50 WeakPolarHBondContact O-CG 3.04Å; R39-Q50 PolarHBondContact O-NE2 2.84Å
51	P	39.4	Very low	32.9	Very low	49 Å²	49	111.3 Å²	111.3	32%	0.318	63%	0.631	S	S	.	*				0	163.9	0	41.7	-18.1	0	0	0	125.2	I15 T33 D36 L37	I15-P51 HydrophobicContact CD1-CB 4.45Å; T33-P51 HydrophobicContact CG2-CB 3.4Å; T33-P51 HydrophobicContact CG2-CG 3.65Å; D36-P51 VanDerWaalsContact C-N 3.31Å; D36-P51 CarbonylContact O-C 3.24Å; D36-P51 WeakPolarHBondContact O-CA 3.03Å; L37-P51 WeakPolarHBondContact O-CD 3.48Å
52	N	37.9	Very low	32.5	Very low	82 Å²	82	113.5 Å²	113.5	44%	0.439	63%	0.633	S	S	.	*			trans	-164.4	160.3	173.2	-86.2	-58.4	0	0	0	111.7	I15 D36	I15-N52 WeakPolarHBondContact CD1-O 3.15Å; D36-N52 PolarHBondContact O-N 2.64Å; D36-N52 PolarHBondContact O-ND2 3.04Å; D36-N52 PolarHBondContact OD2-ND2 3.35Å
53	L	37.2	Very low	32.1	Very low	142 Å²	142	113.4 Å²	113.4	74%	0.743	64%	0.642	S	S	*	*			cis	-171	174.7	-33.1	-124.4	-179.1	0	0	0	111.1
54	N	37.8	Very low	31.8	Very low	150 Å²	150	112.7 Å²	112.7	80%	0.802	65%	0.646	S	S	*	*			trans	85.9	113.8	155.5	-67.9	-19.5	0	0	0	126.4
55	G	37.3	Very low	31.7	Very low	78 Å²	78	113.1 Å²	113.1	80%	0.804	65%	0.65	S	S	*	*				88.3	166.4	128.1	0	0	0	0	0	120.5
56	R	30.2	Very low	31.6	Very low	239 Å²	239	112.6 Å²	112.6	90%	0.902	65%	0.649	S	S	*	*			cis	-170.7	151.3	-19.9	-150.6	-173.7	-174.6	175.8	1.3	110.2
57	V	34.9	Very low	31.4	Very low	123 Å²	123	112.9 Å²	112.9	75%	0.745	65%	0.646	S	S	*	*			trans	73.9	132.6	164.4	-173	0	0	0	0	118.5
58	S	32.4	Very low	31	Very low	104 Å²	104	114.2 Å²	114.2	73%	0.727	64%	0.643	S	S	*	*			trans	65.3	139.3	169.6	-71.7	0	0	0	0	117.4
59	R	32.6	Very low	30.7	Very low	223 Å²	223	117.8 Å²	117.8	84%	0.842	66%	0.658	S	S	*	*			cis	-152.8	-176.7	-4.8	-133	179.1	-172.2	172.7	1.8	110	N61	R59-N61 PolarHBondContact O-N 3.49Å
60	S	33.9	Very low	31	Very low	85 Å²	85	119.4 Å²	119.4	59%	0.594	68%	0.677	S	S	*	*			trans	-36.3	127.9	157.2	46.6	0	0	0	0	111.8
61	N	31.4	Very low	31.4	Very low	146 Å²	146	126.7 Å²	126.7	78%	0.781	70%	0.702	S	S	*	*				63.6	146.9	78.6	-63.2	-12.2	0	0	0	113.4	R59	R59-N61 PolarHBondContact O-N 3.49Å
62	I	24.8	Very low	30.8	Very low	156 Å²	156	133.7 Å²	133.7	80%	0.8	73%	0.728	S	S	*	*			trans	84.6	137.2	179.1	-50.3	156	0	0	0	113.9
63	S	23.1	Very low	30.4	Very low	110 Å²	110	137.4 Å²	137.4	77%	0.769	75%	0.747	S	S	*	*			trans	60.5	153.7	167.5	51.5	0	0	0	0	118.3
64	S	25.6	Very low	30	Very low	106 Å²	106	133.1 Å²	133.1	74%	0.741	73%	0.728	S	S	*	*			cis	-171.9	-172.1	-24.7	66.9	0	0	0	0	106.1
65	S	24.5	Very low	29.6	Very low	100 Å²	100	130.2 Å²	130.2	70%	0.699	72%	0.716	S	S	*	*			cis	-172.8	151.3	-10.1	26.5	0	0	0	0	105.8
66	S	26.3	Very low	29.2	Very low	96 Å²	96	130.8 Å²	130.8	67%	0.671	70%	0.701	S	S	*	*			cis	-169.7	149.2	-13.9	42.8	0	0	0	0	108.8
67	D	25.4	Very low	29.3	Very low	121 Å²	121	122.8 Å²	122.8	65%	0.647	69%	0.693	S	S	*	*			trans	61.2	153.2	159.6	-64.5	-53.8	0	0	0	121.2	I69	D67-I69 VanDerWaalsContact CB-N 3.31Å; D67-I69 PolarHBondContact OD1-N 2.81Å
68	H	23.9	Very low	28.9	Very low	148 Å²	148	123 Å²	123	69%	0.685	69%	0.694	S	S	*	*			cis	20.8	86.6	-18.8	-90.1	10.4	0	0	0	118.3	R71	H68-R71 PolarHBondContact CE1-N 3.01Å
69	I	28.9	Very low	28.8	Very low	150 Å²	150	126.4 Å²	126.4	77%	0.769	70%	0.698	S	S	*	*			cis	-53.8	129	46.6	-47.2	174.6	0	0	0	115.2	D67	D67-I69 VanDerWaalsContact CB-N 3.31Å; D67-I69 PolarHBondContact OD1-N 2.81Å
70	G	37.2	Very low	28.6	Very low	48 Å²	48	124.3 Å²	124.3	50%	0.495	70%	0.698	S	S	.	*			cis	-148.8	126.5	-12.1	0	0	0	0	0	108.3
71	R	35.1	Very low	28.4	Very low	204 Å²	204	124.9 Å²	124.9	77%	0.77	70%	0.698	S	S	*	*				59.8	117	86.7	-70.5	-176.6	-176.3	167.6	3.1	114	H68	H68-R71 PolarHBondContact CE1-N 3.01Å
72	K	27.2	Very low	28.2	Very low	196 Å²	196	127.9 Å²	127.9	85%	0.852	70%	0.698	S	S	*	*			trans	-55.8	133.6	132	-82	-173.5	175.3	-174	0	107.3
73	L	29.1	Very low	28.1	Very low	160 Å²	160	126.5 Å²	126.5	84%	0.838	69%	0.692	S	S	*	*				-164.9	149.3	109.2	-103.1	165.7	0	0	0	109.3
74	S	27.9	Very low	28.2	Very low	52 Å²	52	132.8 Å²	132.8	36%	0.364	70%	0.699	S	S	.	*			trans	-75.8	139.4	154.6	-153.8	0	0	0	0	107.1
75	V	29.4	Very low	28.3	Very low	89 Å²	89	131.8 Å²	131.8	54%	0.539	69%	0.692	S	S	.	*			trans	-74.6	160.2	147.5	-116.7	0	0	0	0	106.5
76	N	30.4	Very low	28.3	Very low	90 Å²	90	134.4 Å²	134.4	48%	0.481	70%	0.697	S	S	.	*			cis	-140.7	156.1	32.2	-79	-68	0	0	0	113.2	S122 D1427	N76-S122 PolarHBondContact ND2-OG 2.86Å; N76-D1427 PolarHBondContact ND2-OD2 2.76Å
77	G	31	Very low	28.7	Very low	71 Å²	71	135.2 Å²	135.2	73%	0.732	70%	0.701	S	S	*	*			trans	-76	172.1	161.7	0	0	0	0	0	112.7
78	V	27.9	Very low	28.9	Very low	128 Å²	128	132.6 Å²	132.6	78%	0.776	70%	0.702	S	S	*	*			trans	-82.3	148.6	172	178.5	0	0	0	0	110
79	H	29.1	Very low	29.3	Very low	176 Å²	176	131.9 Å²	131.9	82%	0.815	71%	0.708	S	S	*	*			trans	-147.8	127.5	173.2	-141.5	-67.3	0	0	0	110.9
80	E	29.1	Very low	29.1	Very low	179 Å²	179	131.8 Å²	131.8	84%	0.836	71%	0.708	S	S	*	*			trans	168.5	146.9	157.7	-97.6	-166.6	145.4	0	0	108
81	V	29.7	Very low	28.8	Very low	97 Å²	97	134.3 Å²	134.3	59%	0.588	72%	0.718	S	S	*	*			cis	-162.5	141.6	-26.9	97.2	0	0	0	0	109.3
82	R	26.1	Very low	28.7	Very low	209 Å²	209	133.5 Å²	133.5	79%	0.789	72%	0.72	S	S	*	*			trans	56.9	-177.8	164.6	-67.5	-166.9	166	113.7	-3.5	116.8
83	D	23.6	Very low	29	Very low	127 Å²	127	132 Å²	132	68%	0.679	72%	0.716	S	S	*	*				-151.5	162.7	-54.6	-94.8	-29.5	0	0	0	106.9
84	R	25.3	Very low	28.9	Very low	241 Å²	241	132.8 Å²	132.8	91%	0.909	72%	0.715	S	S	*	*			trans	71	152	-177.4	-57.6	-178.5	178.9	-174.4	-0.3	115.3
85	S	26.5	Very low	29	Very low	85 Å²	85	136.6 Å²	136.6	59%	0.594	74%	0.736	S	S	*	*			cis	177	150.9	-37.9	53.4	0	0	0	0	108.5
86	L	26	Very low	28.9	Very low	155 Å²	155	139.7 Å²	139.7	81%	0.812	74%	0.744	S	S	*	*			trans	69.7	163.5	160.4	-60.6	159.2	0	0	0	115.8
87	P	33	Very low	28.7	Very low	114 Å²	114	139.7 Å²	139.7	74%	0.74	75%	0.751	S	S	*	*				-142.1	158.3	-58.8	39	-23.6	0	0	0	116.2
88	G	30.2	Very low	28.5	Very low	66 Å²	66	141.3 Å²	141.3	68%	0.68	75%	0.747	S	S	*	*			trans	75	173	140.1	0	0	0	0	0	118.4
89	T	32.9	Very low	28.4	Very low	133 Å²	133	145.1 Å²	145.1	82%	0.816	75%	0.749	S	S	*	*			cis	-141	124.3	-17	42	0	0	0	0	107.6
90	I	25.1	Very low	28.4	Very low	147 Å²	147	141.8 Å²	141.8	75%	0.754	75%	0.745	S	S	*	*				69	88.1	67.3	-60.7	178.1	0	0	0	113.1
91	S	30.4	Very low	28.3	Very low	101 Å²	101	139.9 Å²	139.9	71%	0.706	74%	0.74	S	S	*	*			trans	42.2	136.2	137.3	69.1	0	0	0	0	123.1
92	K	33.7	Very low	28.3	Very low	188 Å²	188	142.1 Å²	142.1	82%	0.817	74%	0.744	S	S	*	*			trans	-169.1	158.9	137.9	-95.6	146.9	-175.7	177	0	106.4
93	Q	32	Very low	28.5	Very low	165 Å²	165	138.7 Å²	138.7	77%	0.771	74%	0.736	S	S	*	*			cis	-145.6	139.4	1.1	-113.4	140.9	-42.1	0	0	104.6
94	E	27.3	Very low	28.8	Very low	175 Å²	175	138.1 Å²	138.1	82%	0.818	73%	0.729	S	S	*	*				49	105.8	52	-78.1	-153.2	137.2	0	0	115.9
95	V	31	Very low	28.9	Very low	133 Å²	133	135 Å²	135	81%	0.806	72%	0.718	S	S	*	*			trans	-176.6	132.4	146.9	132.2	0	0	0	0	107.5
96	H	27.6	Very low	29.1	Very low	154 Å²	154	138.7 Å²	138.7	71%	0.713	72%	0.723	S	S	*	*			cis	-169.7	163.7	-14.7	-124.2	-147.9	0	0	0	105.2
97	S	26.1	Very low	29.4	Very low	90 Å²	90	137.4 Å²	137.4	63%	0.629	72%	0.717	S	S	*	*			cis	-176.1	-159.9	-14.3	50.3	0	0	0	0	106.1
98	V	26.3	Very low	29.4	Very low	104 Å²	104	136.6 Å²	136.6	63%	0.63	71%	0.71	S	S	*	*			cis	-160.4	157.8	2.4	95.4	0	0	0	0	108.2
99	Y	25.2	Very low	29.3	Very low	209 Å²	209	142.7 Å²	142.7	82%	0.82	71%	0.714	S	S	*	*			trans	32.5	114.7	160.5	-71.8	-128.5	0	0	0	120.1
100	S	28.6	Very low	29.2	Very low	105 Å²	105	142 Å²	142	73%	0.734	70%	0.704	S	S	*	*				-171.2	121.8	111.3	-85.9	0	0	0	0	108.9
101	L	26.8	Very low	29.6	Very low	139 Å²	139	141.2 Å²	141.2	73%	0.728	70%	0.697	S	S	*	*				71	127.6	74.8	-179.1	145.9	0	0	0	110.9
102	H	29.9	Very low	29.3	Very low	145 Å²	145	143.4 Å²	143.4	67%	0.671	70%	0.699	S	S	*	*			trans	66.4	157.2	180	-77.9	15	0	0	0	114
103	Q	31.2	Very low	29.2	Very low	136 Å²	136	145.2 Å²	145.2	64%	0.636	70%	0.701	S	S	*	*			cis	-146.9	160.2	-11	-131.6	179.2	33.4	0	0	112.2
104	H	29	Very low	28.8	Very low	115 Å²	115	144.3 Å²	144.3	53%	0.532	70%	0.702	S	S	.	*			trans	29.8	132	133.4	-90.9	-17.3	0	0	0	121.1
105	R	27.4	Very low	28.9	Very low	175 Å²	175	140.7 Å²	140.7	66%	0.66	69%	0.694	S	S	*	*				81.9	131.1	122.4	-76.8	171.1	177.6	163.5	1.3	119
106	K	31.6	Very low	28.7	Very low	163 Å²	163	140.9 Å²	140.9	71%	0.709	69%	0.689	S	S	*	*			trans	69.8	133.2	136.9	-63.7	168.9	-178.9	-171.7	0	115.7
107	N	32.6	Very low	28.7	Very low	128 Å²	128	140 Å²	140	68%	0.684	69%	0.689	S	S	*	*			cis	-161.6	151.2	-3.5	-111	1.5	0	0	0	106
108	T	32.3	Very low	28.9	Very low	98 Å²	98	140.8 Å²	140.8	60%	0.601	69%	0.686	S	S	*	*			cis	-149.4	145.9	2.4	-10.8	0	0	0	0	105.8
109	Y	27.6	Very low	29	Very low	194 Å²	194	142.6 Å²	142.6	76%	0.761	69%	0.688	S	S	*	*				55.8	141.3	106.9	-76.4	-158.4	0	0	0	115.9
110	I	31.6	Very low	29	Very low	119 Å²	119	139.2 Å²	139.2	61%	0.61	68%	0.684	S	S	*	*			cis	-148.1	150.2	16.6	-139	167.2	0	0	0	114.1
111	Q	33.8	Very low	29	Very low	130 Å²	130	145.2 Å²	145.2	61%	0.607	69%	0.69	S	S	*	*			trans	28.9	123.5	145.9	-71.6	156.8	0.8	0	0	118.8
112	I	23.9	Very low	28.9	Very low	146 Å²	146	140 Å²	140	75%	0.749	67%	0.666	S	S	*	*				55.4	89.6	68.1	-53	158.5	0	0	0	110.6
113	R	30.8	Very low	29.1	Very low	226 Å²	226	135.6 Å²	135.6	85%	0.853	65%	0.65	S	S	*	*				-164.5	124.8	121.3	-112.1	159.3	-175.5	155.3	0.8	111.4
114	D	24.5	Very low	28.9	Very low	146 Å²	146	134.5 Å²	134.5	78%	0.781	66%	0.658	S	S	*	*			trans	-47.7	142.9	140.5	-40	-91	0	0	0	107.6
115	P	28.7	Very low	28.9	Very low	100 Å²	100	139.3 Å²	139.3	65%	0.649	67%	0.671	S	S	*	*				-148.3	172.2	84.6	42.9	-28.2	0	0	0	114.8
116	I	26.3	Very low	28.8	Very low	137 Å²	137	138.2 Å²	138.2	70%	0.703	67%	0.673	S	S	*	*			trans	55.6	108.7	134.9	-72.4	167.1	0	0	0	116.6
117	N	27.5	Very low	28.5	Very low	134 Å²	134	136 Å²	136	72%	0.717	67%	0.673	S	S	*	*			trans	67.5	154.3	135.2	-60.5	20.2	0	0	0	117.5
118	N	30.9	Very low	28.2	Very low	108 Å²	108	139.5 Å²	139.5	58%	0.578	68%	0.677	S	S	*	*			cis	-151.2	168.1	-4.5	-121.9	16.1	0	0	0	109.4
119	E	28.1	Very low	27.9	Very low	141 Å²	141	143.3 Å²	143.3	66%	0.659	68%	0.681	S	S	*	*			trans	37.5	118.9	138.1	-59	168.4	131.8	0	0	120.2
120	N	25.4	Very low	27.7	Very low	139 Å²	139	142.5 Å²	142.5	74%	0.743	68%	0.676	S	S	*	*				47.3	100	117.5	-44.5	-28.3	0	0	0	117.9
121	R	29	Very low	27.2	Very low	230 Å²	230	143.9 Å²	143.9	87%	0.868	68%	0.68	S	S	*	*			trans	-162.6	100.2	141.4	-105.5	140.6	-160.1	-153.6	5.6	115.4
122	S	23.9	Very low	26.7	Very low	31 Å²	31	143.4 Å²	143.4	22%	0.217	69%	0.685	C	S	.	*			trans	-60.9	174.4	133.5	-18.7	0	0	0	0	109.8	N76 D1427	N76-S122 PolarHBondContact ND2-OG 2.86Å; S122-D1427 WeakPolarHBondContact CB-OD1 3.3Å; S122-D1427 WeakPolarHBondContact CB-OD2 3.46Å; S122-D1427 PolarHBondContact OG-OD1 2.84Å; S122-D1427 PolarHBondContact OG-OD2 2.87Å
123	P	36.1	Very low	26.7	Very low	51 Å²	51	142 Å²	142	33%	0.331	68%	0.678	S	S	.	*			cis	-135	167.4	-41.8	31.4	-12.7	0	0	0	111.9	T1426	P123-T1426 WeakPolarHBondContact CD-OG1 3.46Å; P123-T1426 HydrophobicContact CG-CG2 3.99Å; P123-T1426 WeakPolarHBondContact CG-OG1 3.31Å
124	S	25.3	Very low	26.4	Very low	114 Å²	114	141.8 Å²	141.8	80%	0.797	68%	0.678	S	S	*	*			trans	-177.3	166.4	165.3	19.8	0	0	0	0	109.7
125	R	29.5	Very low	26.5	Very low	215 Å²	215	140.6 Å²	140.6	81%	0.811	68%	0.679	S	S	*	*			cis	-143.8	137.3	3	-120.4	165.6	169.8	165.5	-0.3	106.7
126	Q	25.3	Very low	26.4	Very low	153 Å²	153	147.5 Å²	147.5	72%	0.715	69%	0.692	S	S	*	*				61	96.4	94.2	-155.5	174.6	17.5	0	0	116.3
127	T	25.7	Very low	26.4	Very low	115 Å²	115	144.5 Å²	144.5	71%	0.706	68%	0.684	S	S	*	*				63.9	128	125.3	-47.2	0	0	0	0	122.2
128	R	25.8	Very low	26.3	Very low	203 Å²	203	144.9 Å²	144.9	77%	0.766	68%	0.675	S	S	*	*			trans	73.8	124.1	153.7	-86.2	173.5	178.4	-176	-0.2	119.9
129	R	25.6	Very low	26	Very low	178 Å²	178	143.7 Å²	143.7	67%	0.672	67%	0.666	S	S	*	*			trans	71.4	148.2	145.9	-73.1	-176.2	169.5	166.1	-4.5	114.5
130	R	23.2	Very low	25.9	Very low	177 Å²	177	142 Å²	142	67%	0.668	65%	0.653	S	S	*	*			cis	-156.7	148.3	9.4	-132.4	169.5	166.1	154.5	-3.5	112
131	E	21.7	Very low	26.3	Very low	148 Å²	148	140.9 Å²	140.9	69%	0.692	65%	0.646	S	S	*	*			trans	62.4	175.6	142.6	-85.5	169.4	113.8	0	0	121.5
132	V	24.3	Very low	26.3	Very low	119 Å²	119	135.3 Å²	135.3	72%	0.721	64%	0.638	S	S	*	*			trans	71.7	91.5	152.5	163.3	0	0	0	0	118
133	I	23.6	Very low	26.8	Very low	116 Å²	116	142.7 Å²	142.7	60%	0.595	66%	0.661	S	S	*	*				71	124.6	114.4	-82	169	0	0	0	118.9
134	R	23.7	Very low	26.8	Very low	223 Å²	223	145.1 Å²	145.1	84%	0.842	68%	0.68	S	S	*	*			trans	63.4	-175.6	157.4	-69.4	176.3	-149.3	152.5	5.1	112
135	C	27.3	Very low	27.1	Very low	120 Å²	120	146.3 Å²	146.3	81%	0.811	67%	0.673	S	S	*	*			cis	-112.6	171.8	0.4	-72.3	0	0	0	0	113.2	S137	C135-S137 PolarHBondContact O-N 3.13Å
136	W	25.8	Very low	27.6	Very low	246 Å²	246	142.8 Å²	142.8	93%	0.932	68%	0.675	S	S	*	*			trans	-38.8	108.5	-178.7	-84.9	4.1	0	0	0	114.3
137	S	25.8	Very low	28.4	Very low	74 Å²	74	138.6 Å²	138.6	52%	0.517	66%	0.659	S	S	.	*				32.9	128.9	108.6	72.9	0	0	0	0	118.2	C135	C135-S137 PolarHBondContact O-N 3.13Å
138	R	25.9	Very low	29.1	Very low	141 Å²	141	137 Å²	137	53%	0.532	65%	0.646	S	S	.	*			trans	78.7	157.7	152	-52	150.4	98.8	136	8.5	114.5	T9 R140	T9-R138 PolarHBondContact OG1-NH2 2.83Å; R138-R140 VanDerWaalsContact CZ-NH2 3.35Å
139	E	25	Very low	29.4	Very low	83 Å²	83	129.7 Å²	129.7	39%	0.388	63%	0.626	S	S	.	*			cis	-153	120	15.3	-146.6	113.3	-128.5	0	0	114.1	T9 Q10	T9-E139 WeakPolarHBondContact O-CG 3.23Å; T9-E139 PolarHBondContact OG1-OE1 2.76Å; Q10-E139 WeakPolarHBondContact CB-OE2 3.34Å; Q10-E139 PolarHBondContact OE1-OE1 3.18Å; Q10-E139 PolarHBondContact OE1-OE2 3.39Å
140	R	26.2	Very low	29.8	Very low	105 Å²	105	126.7 Å²	126.7	40%	0.396	62%	0.622	S	S	.	*				39.6	140.2	126	-52.8	164	-147.3	-100.7	7.3	124.4	S8 T9 R138	S8-R140 VanDerWaalsContact OG-CD 3.29Å; S8-R140 WeakPolarHBondContact OG-CD 3.15Å; S8-R140 WeakPolarHBondContact OG-CG 3.07Å; T9-R140 WeakPolarHBondContact O-CD 3.49Å; T9-R140 PolarHBondContact O-NE 2.92Å; T9-R140 PolarHBondContact OG1-NE 3.02Å; T9-R140 PolarHBondContact OG1-NH2 3.41Å; R138-R140 VanDerWaalsContact CZ-NH2 3.35Å
141	I	33.5	Very low	30.1	Very low	116 Å²	116	127 Å²	127	60%	0.595	62%	0.624	S	S	*	*				43.5	128.4	127.8	-51.5	-167.6	0	0	0	121.4	S8	S8-I141 WeakPolarHBondContact OG-CD1 3.43Å
142	T	28.7	Very low	31.1	Very low	113 Å²	113	124.9 Å²	124.9	69%	0.693	62%	0.623	S	S	*	*			trans	-153.1	175	139.2	25.3	0	0	0	0	107.4
143	R	35.4	Very low	31.6	Very low	186 Å²	186	125.2 Å²	125.2	70%	0.702	63%	0.627	S	S	*	*			cis	-161	-170.3	24.4	-133.1	148.3	-177.2	133.9	-1.2	109.1	E145	R143-E145 HydrophobicContact CG-CG 4.49Å; R143-E145 IonicContact CZ-OE1 3.69Å; R143-E145 IonicContact NE-OE1 2.68Å; R143-E145 PolarHBondContact NE-OE1 3.31Å; R143-E145 IonicContact NH2-OE1 3.28Å; R143-E145 PolarHBondContact NH2-OE1 2.88Å
144	S	34.7	Very low	31.7	Very low	103 Å²	103	124.6 Å²	124.6	72%	0.72	63%	0.633	S	S	*	*			cis	-162.7	145.8	11.5	12.1	0	0	0	0	108.3
145	E	33.4	Very low	31.9	Very low	139 Å²	139	119.1 Å²	119.1	65%	0.65	63%	0.629	S	S	*	*				95.3	131.8	55.9	-72.3	-179.4	-153	0	0	115.7	R143	R143-E145 HydrophobicContact CG-CG 4.49Å; R143-E145 IonicContact CZ-OE1 3.69Å; R143-E145 IonicContact NE-OE1 2.68Å; R143-E145 PolarHBondContact NE-OE1 3.31Å; R143-E145 IonicContact NH2-OE1 3.28Å; R143-E145 PolarHBondContact NH2-OE1 2.88Å
146	T	39.6	Very low	32.1	Very low	140 Å²	140	122.1 Å²	122.1	86%	0.859	63%	0.628	S	S	*	*			trans	-161.2	144.8	170.2	44.2	0	0	0	0	111.8
147	V	42.3	Very low	32.1	Very low	65 Å²	65	117.6 Å²	117.6	39%	0.394	62%	0.618	S	S	.	*			trans	-173	152.2	-164.3	48.9	0	0	0	0	118.3	T173 A174 S175	V147-T173 HydrophobicContact CG2-CG2 3.25Å; V147-A174 CarbonylContact C-O 3.58Å; V147-A174 WeakPolarHBondContact CB-O 3.11Å; V147-A174 WeakPolarHBondContact CG1-O 3.48Å; V147-A174 WeakPolarHBondContact CG2-O 3.44Å; V147-A174 CarbonylContact O-C 3.53Å; V147-S175 CarbonylContact O-C 3.18Å; V147-S175 WeakPolarHBondContact O-CA 3.27Å; V147-S175 PolarHBondContact O-N 2.9Å
148	L	38.7	Very low	32.1	Very low	82 Å²	82	119.8 Å²	119.8	43%	0.429	63%	0.628	S	S	.	*			trans	156.4	175.7	157.8	-97.6	-179.7	0	0	0	110.5	T173 A174	L148-T173 WeakPolarHBondContact CD2-O 3.42Å; L148-A174 VanDerWaalsContact CG-C 3.45Å; L148-A174 WeakPolarHBondContact CG-O 3.21Å
149	S	32	Very low	32.3	Very low	49 Å²	49	119.8 Å²	119.8	34%	0.343	63%	0.634	S	S	.	*				-177.6	175.3	-58.6	-163	0	0	0	0	113.6	L172 T173	S149-L172 WeakPolarHBondContact OG-CD2 3.42Å; S149-T173 WeakPolarHBondContact CB-OG1 3.18Å; S149-T173 PolarHBondContact OG-OG1 2.99Å
150	I	34	Very low	32.4	Very low	115 Å²	115	124.6 Å²	124.6	59%	0.59	65%	0.649	S	S	*	*			trans	-148.5	151.3	164.7	-55.8	178.7	0	0	0	108.7	R171	I150-R171 VanDerWaalsContact C-NH1 3.35Å; I150-R171 WeakPolarHBondContact O-CD 3.49Å; I150-R171 PolarHBondContact O-NE 2.9Å; I150-R171 PolarHBondContact O-NH1 2.79Å
151	R	31.5	Very low	32.5	Very low	184 Å²	184	126 Å²	126	69%	0.694	66%	0.664	S	S	*	*			trans	-135.2	-153.7	175	-127.6	-171.7	163.3	154.8	-3.7	111.4
152	P	41.7	Very low	32.3	Very low	104 Å²	104	126.3 Å²	126.3	68%	0.675	67%	0.671	S	S	*	*			cis	-91.9	-120.7	-15.9	38.6	-23.6	0	0	0	109.8
153	P	34.3	Very low	32.3	Very low	126 Å²	126	129.3 Å²	129.3	82%	0.818	68%	0.677	S	S	*	*			cis	-119.1	-131.8	-12	41.4	-22.1	0	0	0	114
154	S	25.4	Very low	31.9	Very low	102 Å²	102	124 Å²	124	71%	0.713	67%	0.669	S	S	*	*			trans	-117.2	137.7	-158	54	0	0	0	0	118.8
155	S	28.4	Very low	31.7	Very low	108 Å²	108	126.5 Å²	126.5	76%	0.755	67%	0.674	S	S	*	*			trans	44	119.8	149.7	63.3	0	0	0	0	124.4
156	K	31	Very low	31.6	Very low	184 Å²	184	127.6 Å²	127.6	80%	0.8	68%	0.684	S	S	*	*			trans	67.3	120.7	143.5	-74.7	-172.3	175.2	-176	0	122.7
157	Q	27.3	Very low	31.3	Very low	151 Å²	151	128.1 Å²	128.1	71%	0.706	68%	0.681	S	S	*	*			trans	73.5	128.3	134.9	-71	-179.6	-95.6	0	0	122.9
158	T	25.4	Very low	30.9	Very low	119 Å²	119	128.7 Å²	128.7	73%	0.73	69%	0.687	S	S	*	*			trans	71.7	139.3	142.4	47.8	0	0	0	0	121.7
159	E	29.9	Very low	30.6	Very low	142 Å²	142	133.4 Å²	133.4	66%	0.664	70%	0.704	S	S	*	*			trans	66	160.5	168.4	-47	-150.7	158.8	0	0	116.7
160	R	28	Very low	30.4	Very low	184 Å²	184	134.3 Å²	134.3	69%	0.694	71%	0.71	S	S	*	*			cis	-157.6	150.4	-38.3	-103.9	-175.2	-169.1	115.3	11.3	106.1
161	N	28	Very low	30.4	Very low	134 Å²	134	133.7 Å²	133.7	72%	0.717	70%	0.701	S	S	*	*			trans	38.2	134.1	147.4	-56.4	-1.9	0	0	0	122.5
162	V	29.5	Very low	30.5	Very low	122 Å²	122	129.7 Å²	129.7	74%	0.739	69%	0.692	S	S	*	*				61.4	127.5	129.1	176.1	0	0	0	0	117.2
163	E	27.9	Very low	30	Very low	176 Å²	176	127.4 Å²	127.4	82%	0.822	68%	0.676	S	S	*	*			cis	-155.6	164.2	6.8	-125.6	157.1	-141.5	0	0	106
164	S	28	Very low	29.8	Very low	76 Å²	76	124.6 Å²	124.6	53%	0.531	66%	0.664	S	S	.	*	S	Bend	cis	-164.2	-178.5	24.7	49.3	0	0	0	0	109.6
165	N	29.9	Very low	30	Very low	155 Å²	155	123.3 Å²	123.3	83%	0.829	66%	0.655	S	S	*	*			trans	56.7	56.1	170.6	-61.3	-16.7	0	0	0	115.4	L167	N165-L167 PolarHBondContact O-N 2.89Å
166	N	30.5	Very low	30.2	Very low	162 Å²	162	123.6 Å²	123.6	87%	0.866	65%	0.653	S	S	*	*			trans	-67.5	121.9	-167.8	-69.8	-55.8	0	0	0	115.3
167	L	33.3	Very low	30.2	Very low	151 Å²	151	119.9 Å²	119.9	79%	0.791	65%	0.65	S	S	*	*			trans	-121.2	177.9	177.9	-129.5	175.6	0	0	0	109	N165	N165-L167 PolarHBondContact O-N 2.89Å
168	C	33.6	Very low	30.5	Very low	77 Å²	77	115.7 Å²	115.7	52%	0.52	64%	0.641	S	S	.	*			trans	73	125.2	156.1	-71.3	0	0	0	0	117.7
169	K	32.2	Very low	30.9	Very low	181 Å²	181	118.6 Å²	118.6	79%	0.787	64%	0.644	S	S	*	*				103.6	161.3	75	-84.4	175.1	-170.1	153.3	0	110.5
170	S	29.4	Very low	31	Very low	68 Å²	68	118.5 Å²	118.5	48%	0.476	65%	0.648	S	S	.	*			cis	-177.9	174.9	-26.8	57.9	0	0	0	0	109.2
171	R	32.2	Very low	30.9	Very low	102 Å²	102	117.1 Å²	117.1	39%	0.385	65%	0.654	S	S	.	*			trans	65.5	178.6	167.8	-43.5	136.9	-170.7	-155.2	9.5	113.6	I150	I150-R171 VanDerWaalsContact C-NH1 3.35Å; I150-R171 WeakPolarHBondContact O-CD 3.49Å; I150-R171 PolarHBondContact O-NE 2.9Å; I150-R171 PolarHBondContact O-NH1 2.79Å
172	L	34.2	Very low	31	Very low	99 Å²	99	115.4 Å²	115.4	52%	0.518	65%	0.653	S	S	.	*			cis	-115.7	143.4	-18.6	-75.8	166.1	0	0	0	107.7	S149	S149-L172 WeakPolarHBondContact OG-CD2 3.42Å
173	T	31.9	Very low	30.9	Very low	56 Å²	56	116.9 Å²	116.9	34%	0.344	65%	0.651	S	S	.	*			cis	92.8	103.8	2.4	82.4	0	0	0	0	119.9	V147 L148 S149	V147-T173 HydrophobicContact CG2-CG2 3.25Å; L148-T173 WeakPolarHBondContact CD2-O 3.42Å; S149-T173 WeakPolarHBondContact CB-OG1 3.18Å; S149-T173 PolarHBondContact OG-OG1 2.99Å
174	A	30	Very low	30.9	Very low	68 Å²	68	117.5 Å²	117.5	56%	0.562	65%	0.652	S	S	*	*			trans	-98	-155	134.4	0	0	0	0	0	107.5	V147 L148	V147-A174 CarbonylContact C-O 3.58Å; V147-A174 WeakPolarHBondContact CB-O 3.11Å; V147-A174 WeakPolarHBondContact CG1-O 3.48Å; V147-A174 WeakPolarHBondContact CG2-O 3.44Å; V147-A174 CarbonylContact O-C 3.53Å; L148-A174 VanDerWaalsContact CG-C 3.45Å; L148-A174 WeakPolarHBondContact CG-O 3.21Å
175	S	28.9	Very low	30.9	Very low	75 Å²	75	121.3 Å²	121.3	52%	0.524	67%	0.665	S	S	.	*				-144.5	165.9	-88.6	-159.3	0	0	0	0	110.1	V147	V147-S175 CarbonylContact O-C 3.18Å; V147-S175 WeakPolarHBondContact O-CA 3.27Å; V147-S175 PolarHBondContact O-N 2.9Å
176	T	33	Very low	30.7	Very low	114 Å²	114	119 Å²	119	70%	0.699	66%	0.659	S	S	*	*	S	Bend	cis	-95.6	-179.9	-6	43.4	0	0	0	0	113.7
177	S	30.3	Very low	30.4	Very low	106 Å²	106	117.8 Å²	117.8	74%	0.741	65%	0.651	S	S	*	*			trans	-69.8	152.6	-176.2	47.7	0	0	0	0	115
178	A	34.9	Very low	30	Very low	63 Å²	63	117.9 Å²	117.9	52%	0.521	65%	0.651	S	S	.	*			cis	-172.3	177.5	-15.1	0	0	0	0	0	109.3
179	F	34.5	Very low	29.5	Very low	179 Å²	179	120.3 Å²	120.3	79%	0.785	66%	0.658	S	S	*	*			trans	63.6	110.5	173.4	-62.8	-89.9	0	0	0	115.5
180	N	30.5	Very low	29.4	Very low	140 Å²	140	120.7 Å²	120.7	75%	0.749	66%	0.66	S	S	*	*				71.7	124	71.3	-74.6	-33.1	0	0	0	115
181	N	26.3	Very low	29.3	Very low	155 Å²	155	122.6 Å²	122.6	83%	0.829	67%	0.673	S	S	*	*			trans	-24.4	145.7	142	-59.2	-29.4	0	0	0	112.8
182	S	30.3	Very low	28.9	Very low	99 Å²	99	126.1 Å²	126.1	69%	0.692	69%	0.694	S	S	*	*				-163.8	168.9	58	55.9	0	0	0	0	114.7
183	H	27.2	Very low	28.5	Very low	152 Å²	152	125.7 Å²	125.7	70%	0.704	70%	0.7	S	S	*	*			trans	11.3	125.3	142.6	-63.6	-111	0	0	0	116.2
184	F	28.5	Very low	28.1	Very low	189 Å²	189	132 Å²	132	83%	0.829	72%	0.722	S	S	*	*				-159.5	150.6	59.9	-109	-79.6	0	0	0	113.6
185	L	27	Very low	27.8	Very low	157 Å²	157	133.8 Å²	133.8	82%	0.822	73%	0.731	S	S	*	*			trans	-60.6	139.9	147.5	-75.8	167	0	0	0	107.9
186	P	26.4	Very low	27.7	Very low	106 Å²	106	135.3 Å²	135.3	69%	0.688	74%	0.741	S	S	*	*				-152.8	-170.4	73.9	42.7	-23.7	0	0	0	115.7
187	I	23.2	Very low	27.2	Very low	137 Å²	137	136.7 Å²	136.7	70%	0.703	74%	0.744	S	S	*	*			trans	-5.5	121	141.2	-63.6	166.3	0	0	0	114.2	N189	I187-N189 PolarHBondContact O-N 2.83Å
188	I	25.5	Very low	27.2	Very low	153 Å²	153	137.6 Å²	137.6	79%	0.785	75%	0.747	S	S	*	*	S	Bend	trans	-64.2	122.2	152.4	-73.3	176.7	0	0	0	107.7
189	N	24.5	Very low	26.7	Very low	128 Å²	128	138.4 Å²	138.4	68%	0.684	75%	0.746	S	S	*	*	S	Bend	trans	63.1	97.1	171.7	-56.6	-23.6	0	0	0	116.8	I187	I187-N189 PolarHBondContact O-N 2.83Å
190	K	29.8	Very low	26.2	Very low	188 Å²	188	134.4 Å²	134.4	82%	0.817	75%	0.746	S	S	*	*				-177.3	151.9	96.9	-98.1	161.4	-175.3	176.3	0	114.6
191	S	27.5	Very low	25.9	Very low	108 Å²	108	133 Å²	133	76%	0.755	74%	0.737	S	S	*	*			trans	7.6	121.8	158.8	55.2	0	0	0	0	118.5
192	E	23.8	Very low	25.9	Very low	177 Å²	177	135.3 Å²	135.3	83%	0.827	73%	0.734	S	S	*	*			trans	-42.5	144.1	153.4	-54.5	172.8	112.2	0	0	113.4
193	S	24.1	Very low	25.8	Very low	90 Å²	90	137.4 Å²	137.4	63%	0.629	73%	0.733	S	S	*	*			trans	74.2	167.4	133.8	77.6	0	0	0	0	121.3
194	F	23.5	Very low	26	Very low	188 Å²	188	137.6 Å²	137.6	83%	0.825	74%	0.737	S	S	*	*			trans	53.1	99	162.4	-62.5	-60.9	0	0	0	120.3
195	S	25	Very low	25.9	Very low	106 Å²	106	133.2 Å²	133.2	74%	0.741	73%	0.728	S	S	*	*				116.6	159.4	110.1	77.4	0	0	0	0	116.6
196	S	27.3	Very low	25.8	Very low	106 Å²	106	131.8 Å²	131.8	74%	0.741	72%	0.72	S	S	*	*			trans	63.1	128.1	-165.2	72.1	0	0	0	0	114
197	L	21.8	Very low	25.6	Very low	143 Å²	143	133.7 Å²	133.7	75%	0.749	72%	0.719	S	S	*	*			cis	53.7	97.9	7.6	-85.8	77.1	0	0	0	113.3	T199	L197-T199 WeakPolarHBondContact CD2-OG1 3.46Å; L197-T199 VanDerWaalsContact CG-OG1 3.27Å; L197-T199 WeakPolarHBondContact CG-OG1 3.43Å
198	P	29.4	Very low	26	Very low	125 Å²	125	134.7 Å²	134.7	81%	0.812	73%	0.725	S	S	*	*				-91.9	144.9	61	-19	34.1	0	0	0	114.1
199	T	24	Very low	26.2	Very low	81 Å²	81	130.9 Å²	130.9	50%	0.497	72%	0.717	S	S	.	*			cis	70.1	85.8	28	-44.3	0	0	0	0	114	L197 I201	L197-T199 WeakPolarHBondContact CD2-OG1 3.46Å; L197-T199 VanDerWaalsContact CG-OG1 3.27Å; L197-T199 WeakPolarHBondContact CG-OG1 3.43Å; T199-I201 HydrophobicContact CG2-CD1 3.47Å; T199-I201 VanDerWaalsContact CG2-CD1 3.47Å; T199-I201 HydrophobicContact CG2-CG1 3.97Å
200	A	25.6	Very low	26.6	Very low	95 Å²	95	131.1 Å²	131.1	79%	0.785	72%	0.718	S	S	*	*				-153.1	121.2	129.2	0	0	0	0	0	109
201	I	24.4	Very low	26.9	Very low	109 Å²	109	127.8 Å²	127.8	56%	0.559	71%	0.709	S	S	*	*			cis	59.7	86.1	36.7	-54.4	-169.1	0	0	0	108	T199	T199-I201 HydrophobicContact CG2-CD1 3.47Å; T199-I201 VanDerWaalsContact CG2-CD1 3.47Å; T199-I201 HydrophobicContact CG2-CG1 3.97Å
202	R	26	Very low	27.2	Very low	205 Å²	205	130.3 Å²	130.3	77%	0.774	71%	0.709	S	S	*	*				178.5	173.1	57.9	-96.4	157.6	-174.8	142.9	3.7	108.8
203	H	28.5	Very low	27.6	Very low	142 Å²	142	128.9 Å²	128.9	66%	0.657	71%	0.706	S	S	*	*			cis	-148.6	133.9	-1.2	-130.5	-52.6	0	0	0	109.2
204	I	31.4	Very low	28.2	Very low	157 Å²	157	128.2 Å²	128.2	81%	0.805	71%	0.706	S	S	*	*			trans	-73.3	124.4	147.1	-67.3	165.9	0	0	0	105.9
205	P	25.7	Very low	28.5	Very low	97 Å²	97	125.9 Å²	125.9	63%	0.63	70%	0.702	S	S	*	*				-133	154.1	122.8	7.4	16.9	0	0	0	110.8
206	I	24.6	Very low	28.7	Very low	127 Å²	127	125.6 Å²	125.6	65%	0.651	70%	0.696	S	S	*	*			cis	-152.2	-179.9	-9.3	-132.9	167.5	0	0	0	109.5
207	Q	23.2	Very low	28.8	Very low	146 Å²	146	128.8 Å²	128.8	68%	0.682	70%	0.699	S	S	*	*			trans	-31.9	147.1	164.3	-52.1	128.8	-20.8	0	0	112.6
208	L	29.8	Very low	29.1	Very low	157 Å²	157	126.8 Å²	126.8	82%	0.822	70%	0.697	S	S	*	*				-158.1	158.2	65.2	-88.5	163.6	0	0	0	113.6
209	A	31.5	Very low	29	Very low	74 Å²	74	128.4 Å²	128.4	61%	0.612	70%	0.698	S	S	*	*			trans	32.5	123.2	134.5	0	0	0	0	0	118.1
210	D	32.1	Very low	29.1	Very low	133 Å²	133	130.2 Å²	130.2	71%	0.711	71%	0.708	S	S	*	*			cis	-156.2	142.3	19.7	-96.7	-37.2	0	0	0	114.6
211	N	35	Very low	29	Very low	118 Å²	118	132.7 Å²	132.7	63%	0.631	71%	0.708	S	S	*	*			trans	57.5	108.1	132.9	-56.4	-31.7	0	0	0	122.3
212	H	34.4	Very low	28.9	Very low	160 Å²	160	134.5 Å²	134.5	74%	0.741	72%	0.72	S	S	*	*				84.8	132.2	122.4	-84.5	-88.6	0	0	0	122.4
213	L	32.5	Very low	29.1	Very low	147 Å²	147	129 Å²	129	77%	0.77	72%	0.718	S	S	*	*			trans	66.9	122.9	158.7	-87.3	69.4	0	0	0	116.9
214	A	35.8	Very low	28.7	Very low	76 Å²	76	128.1 Å²	128.1	63%	0.628	72%	0.717	S	S	*	*			cis	64.9	138.5	15.9	0	0	0	0	0	114.8
215	D	30	Very low	28.4	Very low	140 Å²	140	128.3 Å²	128.3	75%	0.749	71%	0.712	S	S	*	*			cis	-159.3	171.9	-14.5	-135.5	-34.3	0	0	0	111.3
216	T	30.9	Very low	28.5	Very low	100 Å²	100	129.3 Å²	129.3	61%	0.613	72%	0.722	S	S	*	*			trans	21	126	157.7	55.7	0	0	0	0	123
217	Q	28.7	Very low	28.6	Very low	172 Å²	172	129.4 Å²	129.4	80%	0.804	72%	0.722	S	S	*	*			trans	79	116.3	134.4	-63.4	171.1	36.4	0	0	123.2
218	S	27.6	Very low	29	Very low	102 Å²	102	127.6 Å²	127.6	71%	0.713	72%	0.723	S	S	*	*			trans	89.7	162.5	133.8	83.6	0	0	0	0	122.5
219	I	27	Very low	29.1	Very low	159 Å²	159	127.3 Å²	127.3	82%	0.815	72%	0.721	S	S	*	*			trans	81.1	162.2	163.9	-63.6	167	0	0	0	117.7
220	T	26	Very low	29	Very low	118 Å²	118	128 Å²	128	72%	0.724	72%	0.721	S	S	*	*	S	Bend	trans	-94.9	147.5	-177.1	48.8	0	0	0	0	113.4
221	N	23.7	Very low	29.1	Very low	147 Å²	147	127.4 Å²	127.4	79%	0.786	72%	0.718	S	S	*	*	S	Bend	trans	62.8	129.9	173	-76.1	20.5	0	0	0	116
222	D	21.8	Very low	28.8	Very low	148 Å²	148	128.3 Å²	128.3	79%	0.791	72%	0.718	S	S	*	*			trans	58.3	150.7	176.4	-50.6	-39.8	0	0	0	115.6
223	A	30.6	Very low	28.5	Very low	89 Å²	89	129.1 Å²	129.1	74%	0.736	72%	0.72	S	S	*	*			cis	-98.9	139.1	-20	0	0	0	0	0	107.7
224	L	21.4	Very low	28.4	Very low	123 Å²	123	127.3 Å²	127.3	64%	0.644	72%	0.717	S	S	*	*				37.5	113.2	81.7	-72.9	175.3	0	0	0	113.9
225	K	24.1	Very low	28.1	Very low	162 Å²	162	129.4 Å²	129.4	70%	0.704	71%	0.714	S	S	*	*				31.8	106.7	122.6	-50.8	177.3	-164.7	169.2	0	116.3	I227	K225-I227 HydrophobicContact CB-CD1 3.79Å; K225-I227 HydrophobicContact CB-CG1 4.08Å; K225-I227 HydrophobicContact CD-CD1 4.37Å
226	S	27.4	Very low	28	Very low	118 Å²	118	126.7 Å²	126.7	83%	0.825	70%	0.698	S	S	*	*				-126.7	121	129	-70.6	0	0	0	0	107
227	I	28.1	Very low	27.7	Very low	128 Å²	128	127.4 Å²	127.4	66%	0.656	69%	0.693	S	S	*	*			cis	66.9	130.1	42.2	-51.6	170.5	0	0	0	108.6	K225	K225-I227 HydrophobicContact CB-CD1 3.79Å; K225-I227 HydrophobicContact CB-CG1 4.08Å; K225-I227 HydrophobicContact CD-CD1 4.37Å
228	P	30.4	Very low	27.6	Very low	109 Å²	109	130.5 Å²	130.5	71%	0.708	70%	0.697	S	S	*	*			cis	-111.7	-176.5	21.1	38.3	-22	0	0	0	112.6
229	I	32	Very low	27.7	Very low	151 Å²	151	134.3 Å²	134.3	77%	0.774	70%	0.704	S	S	*	*			cis	-130.6	127.6	19.3	-70.8	172.1	0	0	0	110.3
230	S	30.1	Very low	27.6	Very low	88 Å²	88	131.4 Å²	131.4	62%	0.615	69%	0.689	S	S	*	*				25	150.7	126.4	-61.6	0	0	0	0	119.6
231	N	33.9	Very low	27.6	Very low	121 Å²	121	130.9 Å²	130.9	65%	0.647	69%	0.69	S	S	*	*			cis	-178.5	170	6.8	-112.1	3.1	0	0	0	106.6
232	Q	28.9	Very low	27.8	Very low	136 Å²	136	131.6 Å²	131.6	64%	0.636	69%	0.694	S	S	*	*			cis	-171	150.3	-18.3	-131	171.6	8.3	0	0	108.2
233	F	28	Very low	28	Very low	178 Å²	178	134.1 Å²	134.1	78%	0.781	70%	0.698	S	S	*	*			trans	61	170.9	168.9	-65	-78.1	0	0	0	117.3
234	P	30.1	Very low	27.8	Very low	109 Å²	109	136.4 Å²	136.4	71%	0.708	70%	0.696	S	S	*	*				-126.2	-160.1	-72	42.8	-26.3	0	0	0	110.7
235	E	28.9	Very low	27.9	Very low	120 Å²	120	139.2 Å²	139.2	56%	0.561	71%	0.706	S	S	*	*			cis	-155	179.1	-1.5	-167.5	50.6	-161.7	0	0	108.6	V2186	E235-V2186 HydrophobicContact CG-CG1 3.83Å
236	I	28.9	Very low	28.1	Very low	82 Å²	82	140.5 Å²	140.5	42%	0.421	71%	0.712	S	S	.	*				-138	168.7	-101.4	-138.2	161.5	0	0	0	114.1	R238 E2196	I236-R238 PolarHBondContact O-N 3.31Å; I236-E2196 WeakPolarHBondContact CD1-OE1 3.1Å
237	K	23.6	Very low	27.9	Very low	116 Å²	116	139.3 Å²	139.3	50%	0.504	70%	0.696	S	S	.	*	S	Bend	trans	67.4	16.6	160.2	-82.5	-176.7	-170.5	-173.1	0	124.2	I2197	K237-I2197 HydrophobicContact CD-CD1 4.17Å
238	R	27.4	Very low	27.7	Very low	236 Å²	236	138 Å²	138	89%	0.891	70%	0.698	S	S	*	*	S	Bend	trans	-146	58.8	166.1	-154.2	177.4	175.7	168.3	-1.3	118.7	I236	I236-R238 PolarHBondContact O-N 3.31Å
239	Q	29.5	Very low	27.3	Very low	183 Å²	183	140.4 Å²	140.4	86%	0.855	70%	0.697	S	S	*	*	S	Bend	trans	-155.3	27	160	-128.6	159.4	112.6	0	0	119
240	I	25.6	Very low	26.8	Very low	97 Å²	97	137.8 Å²	137.8	50%	0.497	69%	0.693	S	S	.	*			trans	-123.2	91.3	167.1	-53.7	-175	0	0	0	109.7	Q2198 D2199	I240-Q2198 HydrophobicContact CD1-CG 3.99Å; I240-D2199 HydrophobicContact CG2-CB 4.39Å; I240-D2199 WeakPolarHBondContact CG2-OD2 3.44Å
241	S	25.4	Very low	26.4	Very low	108 Å²	108	138.4 Å²	138.4	76%	0.755	70%	0.697	S	S	*	*			trans	-171.7	87.2	159.5	-173.6	0	0	0	0	110.2
242	N	27.5	Very low	25.8	Very low	161 Å²	161	139.5 Å²	139.5	86%	0.861	70%	0.701	S	S	*	*			trans	177.8	161	155	-106.7	-67.4	0	0	0	111.7
243	K	26.7	Very low	25.5	Very low	202 Å²	202	140.2 Å²	140.2	88%	0.878	71%	0.705	S	S	*	*	S	Bend	trans	66.8	34.5	174.5	-72.7	-170.1	175.3	-179.8	0	118.9
244	I	26.6	Very low	25.3	Very low	137 Å²	137	139.8 Å²	139.8	70%	0.703	70%	0.699	S	S	*	*			trans	-129.5	131.1	135.4	-58.9	-178.5	0	0	0	103.6
245	Q	23.4	Very low	25	Very low	182 Å²	182	140.1 Å²	140.1	85%	0.85	70%	0.704	S	S	*	*			cis	-142.5	137.8	36.4	-160.6	167.3	-18.9	0	0	112.8
246	K	27.5	Very low	24.8	Very low	189 Å²	189	138.8 Å²	138.8	82%	0.822	70%	0.698	S	S	*	*			trans	-162.1	136	175.7	-95.8	-168.5	169.9	-171.6	0	106.8
247	L	22.8	Very low	24.7	Very low	93 Å²	93	138.1 Å²	138.1	49%	0.487	69%	0.69	S	S	.	*			cis	-140.1	153.8	-5.9	-68.9	107.9	0	0	0	110.3	E1875	L247-E1875 HydrophobicContact CB-CG 4.46Å; L247-E1875 WeakPolarHBondContact CD1-OE1 3.2Å; L247-E1875 WeakPolarHBondContact CD1-OE2 3.47Å; L247-E1875 WeakPolarHBondContact CD2-OE1 3.45Å
248	S	24.9	Very low	24.8	Very low	100 Å²	100	135.9 Å²	135.9	70%	0.699	69%	0.686	S	S	*	*			trans	-170.2	167.7	159	-4.8	0	0	0	0	110.1
249	F	22.1	Very low	24.6	Very low	160 Å²	160	131.1 Å²	131.1	70%	0.702	68%	0.679	S	S	*	*			trans	-99.3	155.3	-161.8	-82.8	-108.4	0	0	0	116.4
250	S	21	Very low	24.9	Very low	96 Å²	96	129.3 Å²	129.3	67%	0.671	68%	0.675	S	S	*	*			trans	59.4	115.4	144.3	61.9	0	0	0	0	122
251	S	22	Very low	25.2	Very low	101 Å²	101	129.4 Å²	129.4	71%	0.706	68%	0.684	S	S	*	*				91.4	118.5	125.3	-62.1	0	0	0	0	122.6
252	I	21.8	Very low	25.2	Very low	143 Å²	143	127.8 Å²	127.8	73%	0.733	67%	0.67	S	S	*	*				82	103.7	125.2	-65.5	172.4	0	0	0	119.7
253	E	22	Very low	25.2	Very low	152 Å²	152	127.3 Å²	127.3	71%	0.71	66%	0.662	S	S	*	*			trans	94.4	143.4	131.9	-81.8	-180	-178.5	0	0	127
254	Y	24.7	Very low	25.4	Very low	169 Å²	169	123.6 Å²	123.6	66%	0.663	65%	0.651	S	S	*	*			trans	45.3	118.7	153.7	-69.3	-55.6	0	0	0	124.7
255	S	23.5	Very low	25.3	Very low	115 Å²	115	119.8 Å²	119.8	80%	0.804	64%	0.636	S	S	*	*				172.1	149.5	125	39.3	0	0	0	0	110.3
256	E	24.3	Very low	25.6	Very low	93 Å²	93	117.6 Å²	117.6	44%	0.435	63%	0.63	S	S	.	*			cis	-162.3	-146.8	-19.8	-164.3	170.8	-153.8	0	0	106.5	R2208 K2209	E256-R2208 IonicContact OE2-CZ 2.68Å; E256-R2208 IonicContact OE2-NH2 3.46Å; E256-R2208 PolarHBondContact OE2-NH2 3.16Å; E256-K2209 WeakPolarHBondContact O-CD 3.21Å; E256-K2209 WeakPolarHBondContact O-CE 3.26Å; E256-K2209 VanDerWaalsContact O-CG 3.3Å; E256-K2209 WeakPolarHBondContact O-CG 3.39Å
257	Y	26	Very low	26.1	Very low	67 Å²	67	114.1 Å²	114.1	26%	0.263	62%	0.621	S	S	.	*			trans	-135.6	151.3	-174.6	-137.9	-37.9	0	0	0	113.4	R2208 K2209 S2210 E2211	Y257-R2208 PolarHBondContact O-NE 2.92Å; Y257-R2208 PolarHBondContact O-NH1 2.92Å; Y257-K2209 HydrophobicContact CD1-CB 4.05Å; Y257-K2209 HydrophobicContact CD1-CD 3.54Å; Y257-K2209 HydrophobicContact CD1-CG 4.44Å; Y257-K2209 HydrophobicContact CD2-CD 3.5Å; Y257-K2209 HydrophobicContact CE1-CB 4.25Å; Y257-K2209 HydrophobicContact CE1-CD 3.83Å; Y257-K2209 HydrophobicContact CE2-CD 3.77Å; Y257-K2209 HydrophobicContact CG-CD 3.35Å; Y257-S2210 VanDerWaalsContact CE1-CB 3.45Å; Y257-S2210 WeakPolarHBondContact CE1-OG 3.08Å; Y257-S2210 VanDerWaalsContact CZ-CB 3.47Å; Y257-S2210 WeakPolarHBondContact OH-CB 3.49Å; Y257-S2210 PolarHBondContact OH-OG 2.85Å; Y257-E2211 WeakPolarHBondContact CE2-OE1 3.32Å; Y257-E2211 PolarHBondContact OH-OE2 2.86Å; Y257-E2211 VanDerWaalsContact OH-OE2 3.05Å
258	T	26	Very low	26.4	Very low	70 Å²	70	117.5 Å²	117.5	43%	0.429	64%	0.638	S	S	.	*			trans	80.6	152	165.9	97.4	0	0	0	0	116.1	R2208	T258-R2208 WeakPolarHBondContact O-CD 3.49Å; T258-R2208 PolarHBondContact O-NH1 3.03Å
259	D	24	Very low	26.3	Very low	136 Å²	136	120.1 Å²	120.1	73%	0.727	64%	0.639	S	S	*	*			cis	-153.9	176.3	20.8	-121.7	-44.1	0	0	0	114.9
260	N	35.3	Very low	26.4	Very low	145 Å²	145	114.5 Å²	114.5	78%	0.775	62%	0.62	S	S	*	*			trans	87.6	107.2	158.5	-68.7	-11.6	0	0	0	122.4
261	S	31.1	Very low	26.5	Very low	99 Å²	99	113.5 Å²	113.5	69%	0.692	61%	0.612	S	S	*	*				87.5	105.9	118	-136.4	0	0	0	0	121.2
262	T	25.6	Very low	26.6	Very low	73 Å²	73	114.8 Å²	114.8	45%	0.448	61%	0.609	S	S	.	*				52.3	134.4	123.4	63.9	0	0	0	0	121.5	E273	T262-E273 WeakPolarHBondContact CG2-OE1 3.49Å; T262-E273 WeakPolarHBondContact CG2-OE2 3.28Å
263	Q	27.2	Very low	26.7	Very low	152 Å²	152	114.4 Å²	114.4	71%	0.71	60%	0.604	S	S	*	*			trans	71	115.7	153.3	-70.3	-179.4	-4.6	0	0	116.3
264	I	31.2	Very low	27.2	Very low	124 Å²	124	110.3 Å²	110.3	64%	0.636	59%	0.585	S	S	*	*			cis	55.2	103.7	17.4	-27.2	179.2	0	0	0	110.9	S270	I264-S270 VanDerWaalsContact CG2-CB 3.47Å; I264-S270 WeakPolarHBondContact CG2-OG 3.37Å
265	S	25.6	Very low	27.3	Very low	56 Å²	56	105.3 Å²	105.3	39%	0.392	57%	0.57	S	S	.	*				-167.3	173.8	72.8	-64.3	0	0	0	0	108.6	S270	S265-S270 WeakPolarHBondContact CB-OG 3.22Å; S265-S270 PolarHBondContact OG-O 3.49Å; S265-S270 VanDerWaalsContact OG-O 3.08Å; S265-S270 PolarHBondContact OG-OG 3.03Å
266	N	29.5	Very low	27.4	Very low	137 Å²	137	101.7 Å²	101.7	73%	0.733	55%	0.545	S	S	*	.				174.3	146.9	87.9	-78.8	-38.7	0	0	0	107
267	N	36.8	Very low	27.4	Very low	116 Å²	116	101.9 Å²	101.9	62%	0.62	55%	0.546	S	S	*	.	S	Bend	cis	-158.9	153.3	-13	-85.3	-31.2	0	0	0	105.6
268	L	31	Very low	27.3	Very low	163 Å²	163	103.2 Å²	103.2	85%	0.853	56%	0.557	S	S	*	*	S	Bend	cis	-118.6	154.1	-3.1	-68.3	81.5	0	0	0	108.6
269	E	22.6	Very low	27.4	Very low	155 Å²	155	104.7 Å²	104.7	72%	0.724	57%	0.566	S	S	*	*	S	Bend	cis	-119.7	147	-10.7	-118	-160.1	148.9	0	0	109.5	P271	E269-P271 HydrophobicContact CG-CG 4.23Å; E269-P271 VanDerWaalsContact OE1-CG 3.3Å; E269-P271 WeakPolarHBondContact OE1-CG 3.36Å
270	S	23.5	Very low	27.4	Very low	43 Å²	43	105.5 Å²	105.5	30%	0.301	57%	0.566	S	S	.	*			trans	-151	38.9	166.2	53.2	0	0	0	0	115.6	I264 S265	I264-S270 VanDerWaalsContact CG2-CB 3.47Å; I264-S270 WeakPolarHBondContact CG2-OG 3.37Å; S265-S270 WeakPolarHBondContact CB-OG 3.22Å; S265-S270 PolarHBondContact OG-O 3.49Å; S265-S270 VanDerWaalsContact OG-O 3.08Å; S265-S270 PolarHBondContact OG-OG 3.03Å
271	P	23.3	Very low	26.8	Very low	75 Å²	75	104.6 Å²	104.6	49%	0.487	56%	0.561	S	S	.	*			trans	-78.8	173	145.1	44.2	-35.8	0	0	0	108.1	E269	E269-P271 HydrophobicContact CG-CG 4.23Å; E269-P271 VanDerWaalsContact OE1-CG 3.3Å; E269-P271 WeakPolarHBondContact OE1-CG 3.36Å
272	I	24.9	Very low	26.4	Very low	128 Å²	128	107.2 Å²	107.2	66%	0.656	57%	0.566	S	S	*	*			cis	-129.6	100	8.8	-62.2	166.7	0	0	0	109	Q274	I272-Q274 VanDerWaalsContact CG2-C 3.41Å; I272-Q274 HydrophobicContact CG2-CB 4.09Å; I272-Q274 WeakPolarHBondContact CG2-O 3.04Å
273	E	22.6	Very low	26.4	Very low	135 Å²	135	111.1 Å²	111.1	63%	0.631	58%	0.584	S	S	*	*	S	Bend		-66.6	142.2	129.2	-171.1	-158.4	-135.8	0	0	105.7	T262	T262-E273 WeakPolarHBondContact CG2-OE1 3.49Å; T262-E273 WeakPolarHBondContact CG2-OE2 3.28Å
274	Q	32.1	Very low	26.5	Very low	65 Å²	65	108.8 Å²	108.8	30%	0.304	58%	0.581	S	S	.	*			trans	102.4	76.3	-172.2	-59.8	176.5	8.7	0	0	114.3	I272 V666	I272-Q274 VanDerWaalsContact CG2-C 3.41Å; I272-Q274 HydrophobicContact CG2-CB 4.09Å; I272-Q274 WeakPolarHBondContact CG2-O 3.04Å; Q274-V666 PolarHBondContact OE1-O 3.01Å
275	N	27	Very low	26	Very low	65 Å²	65	108.3 Å²	108.3	35%	0.348	58%	0.584	S	S	.	*			trans	-52	161.2	161.4	59.4	101.2	0	0	0	111.3	R663 G664 S665	N275-R663 WeakPolarHBondContact OD1-CG 3.37Å; N275-G664 PolarHBondContact ND2-O 3.29Å; N275-G664 CarbonylContact O-C 3.19Å; N275-G664 VanDerWaalsContact OD1-C 3.27Å; N275-G664 PolarHBondContact OD1-N 2.85Å; N275-G664 PolarHBondContact OD1-O 3.22Å; N275-S665 CarbonylContact O-C 3.54Å; N275-S665 WeakPolarHBondContact O-CA 3.4Å; N275-S665 PolarHBondContact O-N 2.75Å
276	S	25.2	Very low	25.9	Very low	39 Å²	39	110.6 Å²	110.6	27%	0.273	60%	0.597	S	S	.	*			trans	-152.4	162.8	156.2	120.9	0	0	0	0	115	S665 V666 K667 D668	S276-S665 WeakPolarHBondContact CB-O 3.28Å; S276-V666 VanDerWaalsContact CB-N 3.33Å; S276-K667 WeakPolarHBondContact CB-O 3.35Å; S276-K667 PolarHBondContact OG-O 3.19Å; S276-D668 PolarHBondContact OG-N 2.93Å
277	M	24.8	Very low	25.6	Very low	96 Å²	96	111.6 Å²	111.6	47%	0.473	60%	0.597	S	S	.	*				7.7	147	125.1	-39.3	163.9	52.3	0	0	117.8	V669	M277-V669 HydrophobicContact CE-CG2 4.25Å
278	I	25	Very low	25	Very low	96 Å²	96	112 Å²	112	49%	0.492	60%	0.598	S	S	.	*			trans	65.2	109.4	149.5	-65.3	164	0	0	0	115.5	D668 V669	I278-D668 WeakPolarHBondContact CD1-O 3.11Å; I278-V669 HydrophobicContact CD1-CG2 3.98Å
279	T	28	Very low	24.7	Very low	101 Å²	101	107.5 Å²	107.5	62%	0.62	57%	0.574	S	S	*	*			cis	-152.1	177.6	-7.9	22.9	0	0	0	0	107.5
280	E	23	Very low	25.2	Very low	153 Å²	153	108.6 Å²	108.6	72%	0.715	58%	0.579	S	S	*	*				21.2	116.6	89.4	-24.1	-179.1	132.7	0	0	111.9
281	N	23.5	Very low	25.2	Very low	126 Å²	126	109 Å²	109	67%	0.674	58%	0.578	S	S	*	*				-175.4	164.6	58.7	-100.7	-54.8	0	0	0	110.1
282	L	21.7	Very low	25.4	Very low	154 Å²	154	112.2 Å²	112.2	81%	0.806	59%	0.591	S	S	*	*			trans	53.1	140.6	142.1	-62.2	165.4	0	0	0	121.8
283	L	26.9	Very low	25.6	Very low	155 Å²	155	113.1 Å²	113.1	81%	0.812	60%	0.597	S	S	*	*			trans	-20.9	156.1	137.2	-92.3	69	0	0	0	115.6
284	P	27.8	Very low	25.9	Very low	102 Å²	102	115 Å²	115	66%	0.662	61%	0.608	S	S	*	*			cis	-145.3	-169.3	43.1	33.8	-9.5	0	0	0	116.3
285	T	21.3	Very low	25.7	Very low	114 Å²	114	118.8 Å²	118.8	70%	0.699	63%	0.631	S	S	*	*			trans	43.1	136.3	142.6	53.7	0	0	0	0	119.6
286	T	23.8	Very low	25.9	Very low	105 Å²	105	119.8 Å²	119.8	64%	0.644	64%	0.642	S	S	*	*			cis	-168.8	138.4	8.6	10.4	0	0	0	0	105.6
287	E	22.8	Very low	25.9	Very low	158 Å²	158	125.6 Å²	125.6	74%	0.738	67%	0.665	S	S	*	*				57.2	118.2	102.4	-59.4	-169	150.1	0	0	114.6
288	I	23.9	Very low	25.9	Very low	125 Å²	125	126.9 Å²	126.9	64%	0.641	67%	0.674	S	S	*	*				82.2	116.2	108.5	-74.9	174.7	0	0	0	112.5
289	N	24.4	Very low	26.1	Very low	68 Å²	68	130 Å²	130	36%	0.364	69%	0.69	S	S	.	*			cis	-148.9	167.2	10.5	-67.1	-51	0	0	0	111.7	N699 G700	N289-N699 PolarHBondContact ND2-O 2.7Å; N289-G700 WeakPolarHBondContact CB-O 3.42Å; N289-G700 VanDerWaalsContact CG-O 3.25Å; N289-G700 PolarHBondContact ND2-N 2.96Å; N289-G700 VanDerWaalsContact ND2-N 3.18Å; N289-G700 WeakPolarHBondContact OD1-CA 3.47Å; N289-G700 PolarHBondContact OD1-N 2.7Å; N289-G700 PolarHBondContact OD1-O 2.87Å
290	H	33	Very low	26.1	Very low	177 Å²	177	131.3 Å²	131.3	82%	0.819	69%	0.689	S	S	*	*				-157.3	121.9	123.6	-124.1	-64.4	0	0	0	112.8
291	D	24.2	Very low	26.4	Very low	51 Å²	51	129.9 Å²	129.9	27%	0.273	69%	0.686	S	S	.	*			trans	-67.5	130.9	171.3	-57.4	-83.1	0	0	0	111.5	N699 S701	D291-N699 PolarHBondContact OD2-ND2 2.7Å; D291-S701 WeakPolarHBondContact OD1-CB 3.26Å; D291-S701 PolarHBondContact OD1-OG 3.49Å
292	N	28.6	Very low	26.4	Very low	143 Å²	143	130.1 Å²	130.1	77%	0.765	69%	0.687	S	S	*	*			trans	156.6	134.9	130.4	-76.9	-28.1	0	0	0	114.4
293	D	28.5	Very low	26.8	Very low	148 Å²	148	127.9 Å²	127.9	79%	0.791	67%	0.672	S	S	*	*			trans	63	142.7	157	-60.4	-34.5	0	0	0	122.8
294	M	28.2	Very low	27.2	Very low	173 Å²	173	123.9 Å²	123.9	85%	0.852	65%	0.651	S	S	*	*			trans	73.5	50.9	162.7	-56.2	-60.7	-178.9	0	0	121
295	N	28.9	Very low	27.2	Very low	146 Å²	146	124.7 Å²	124.7	78%	0.781	65%	0.649	S	S	*	*			trans	-175	140.2	141.2	-97.3	-49.7	0	0	0	108.4
296	S	29.9	Very low	27.5	Very low	85 Å²	85	127.9 Å²	127.9	59%	0.594	65%	0.653	S	S	*	*				76.8	126.9	59.4	103.4	0	0	0	0	114.9
297	Q	26.9	Very low	27.6	Very low	162 Å²	162	132 Å²	132	76%	0.757	66%	0.657	S	S	*	*			trans	67.8	123.3	179.3	-55.4	-171.6	-3.4	0	0	118.6
298	N	24.7	Very low	27.9	Very low	123 Å²	123	131.6 Å²	131.6	66%	0.658	66%	0.655	S	S	*	*			trans	55	88	166.5	-70.8	-31.5	0	0	0	118.4
299	I	28	Very low	28	Very low	162 Å²	162	131.9 Å²	131.9	83%	0.831	66%	0.656	S	S	*	*				-176.3	118.1	102.4	-86.9	151.2	0	0	0	110.3
300	E	28.7	Very low	28.2	Very low	127 Å²	127	135.9 Å²	135.9	59%	0.593	68%	0.678	S	S	*	*			trans	-134.5	14.3	139.4	-156.1	167.4	-174.4	0	0	109.9	N302 E303 I304	E300-N302 PolarHBondContact O-N 2.77Å; E300-E303 PolarHBondContact O-N 3.45Å; E300-I304 HydrophobicContact CB-CD1 4.27Å; E300-I304 VanDerWaalsContact CD-CD1 3.43Å; E300-I304 HydrophobicContact CG-CD1 3.84Å; E300-I304 HydrophobicContact CG-CG1 4.03Å; E300-I304 WeakPolarHBondContact OE2-CD1 3.31Å
301	L	28.6	Very low	27.7	Very low	123 Å²	123	135.8 Å²	135.8	64%	0.644	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	17.1	-148.6	-142	78.7	0	0	0	115.3
302	N	24.7	Very low	27.8	Very low	132 Å²	132	142.4 Å²	142.4	71%	0.706	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.9	1.3	176.1	-99.6	-66.2	0	0	0	115.1	E300	E300-N302 PolarHBondContact O-N 2.77Å
303	E	28.9	Very low	27.7	Very low	106 Å²	106	143.8 Å²	143.8	50%	0.495	71%	0.706	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.4	-36.1	168.7	-86.8	-82.4	128.5	0	0	111.6	E300 I305 K306 R307	E300-E303 PolarHBondContact O-N 3.45Å; E303-I305 VanDerWaalsContact C-N 3.28Å; E303-I305 PolarHBondContact O-N 2.77Å; E303-K306 CarbonylContact O-C 3.53Å; E303-K306 WeakPolarHBondContact O-CA 3.26Å; E303-K306 PolarHBondContact O-N 2.78Å; E303-R307 PolarHBondContact O-N 2.77Å; E303-R307 VanDerWaalsContact O-N 3.1Å; E303-R307 IonicContact OE2-CZ 3.25Å; E303-R307 VanDerWaalsContact OE2-CZ 3.25Å; E303-R307 IonicContact OE2-NE 2.73Å; E303-R307 PolarHBondContact OE2-NE 3.47Å; E303-R307 IonicContact OE2-NH2 3.55Å; E303-R307 PolarHBondContact OE2-NH2 3.45Å
304	I	34.7	Very low	27.8	Very low	71 Å²	71	144.2 Å²	144.2	36%	0.364	71%	0.708	S	S	.	*	G	3₁₀ helix	trans	-60.2	-38	173.8	-85.7	175.7	0	0	0	111.8	E300 K306 R307 Q308	E300-I304 HydrophobicContact CB-CD1 4.27Å; E300-I304 VanDerWaalsContact CD-CD1 3.43Å; E300-I304 HydrophobicContact CG-CD1 3.84Å; E300-I304 HydrophobicContact CG-CG1 4.03Å; E300-I304 WeakPolarHBondContact OE2-CD1 3.31Å; I304-K306 PolarHBondContact O-N 3.31Å; I304-K306 VanDerWaalsContact O-N 3.07Å; I304-R307 PolarHBondContact O-N 2.88Å; I304-Q308 PolarHBondContact O-N 3.45Å; I304-Q308 VanDerWaalsContact O-N 3.16Å
305	I	28.3	Very low	27.8	Very low	120 Å²	120	143.4 Å²	143.4	62%	0.615	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-69.1	-2.8	174.5	-67.6	175.1	0	0	0	112.7	E303	E303-I305 VanDerWaalsContact C-N 3.28Å; E303-I305 PolarHBondContact O-N 2.77Å
306	K	27.5	Very low	27.8	Very low	180 Å²	180	141.7 Å²	141.7	78%	0.783	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-129.6	12.6	175.3	-92.8	-173.1	173.9	-179.3	0	116.3	E303 I304	E303-K306 CarbonylContact O-C 3.53Å; E303-K306 WeakPolarHBondContact O-CA 3.26Å; E303-K306 PolarHBondContact O-N 2.78Å; I304-K306 PolarHBondContact O-N 3.31Å; I304-K306 VanDerWaalsContact O-N 3.07Å
307	R	27	Very low	27.8	Very low	193 Å²	193	146.5 Å²	146.5	73%	0.728	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.1	5.1	164.8	-56.5	-168.3	-155.3	-176.7	8.3	114.6	E303 I304	E303-R307 PolarHBondContact O-N 2.77Å; E303-R307 VanDerWaalsContact O-N 3.1Å; E303-R307 IonicContact OE2-CZ 3.25Å; E303-R307 VanDerWaalsContact OE2-CZ 3.25Å; E303-R307 IonicContact OE2-NE 2.73Å; E303-R307 PolarHBondContact OE2-NE 3.47Å; E303-R307 IonicContact OE2-NH2 3.55Å; E303-R307 PolarHBondContact OE2-NH2 3.45Å; I304-R307 PolarHBondContact O-N 2.88Å
308	Q	28.5	Very low	27.7	Very low	148 Å²	148	146 Å²	146	69%	0.692	72%	0.716	S	S	*	*	S	Bend	trans	-121	38.5	172.4	-63	-166.1	-73.5	0	0	112.8	I304	I304-Q308 PolarHBondContact O-N 3.45Å; I304-Q308 VanDerWaalsContact O-N 3.16Å
309	I	26	Very low	27.7	Very low	132 Å²	132	148 Å²	148	68%	0.677	72%	0.724	S	S	*	*	S	Bend	trans	-127.2	135	148.8	-66.4	-178.8	0	0	0	105.7
310	D	28.2	Very low	27.8	Very low	152 Å²	152	148.7 Å²	148.7	81%	0.813	72%	0.724	S	S	*	*	S	Bend	trans	62.7	55.3	172.2	-56.7	-21.4	0	0	0	119.2
311	E	23.7	Very low	27.6	Very low	174 Å²	174	149.5 Å²	149.5	81%	0.813	73%	0.731	S	S	*	*			trans	-157.6	135.5	131.7	-125.7	175.4	-158.4	0	0	114.3
312	F	25.6	Very low	27.3	Very low	190 Å²	190	149.4 Å²	149.4	83%	0.833	73%	0.731	S	S	*	*			trans	98.6	106.6	171.3	-76.2	-82.7	0	0	0	121.2
313	Q	27.3	Very low	27.2	Very low	173 Å²	173	150.3 Å²	150.3	81%	0.808	73%	0.731	S	S	*	*			trans	-94	139.2	159.2	-61.6	170.4	-48.3	0	0	110.4
314	N	29.9	Very low	27.1	Very low	157 Å²	157	150.9 Å²	150.9	84%	0.84	74%	0.737	S	S	*	*				158.3	135.4	126.6	-86.2	-66.6	0	0	0	112.2
315	D	28.4	Very low	26.9	Very low	156 Å²	156	159 Å²	159	83%	0.834	76%	0.763	S	S	*	*			trans	-101.8	145.3	-164.1	-60.3	-80.1	0	0	0	116.1
316	S	27.5	Very low	26.9	Very low	110 Å²	110	160.1 Å²	160.1	77%	0.769	77%	0.769	S	S	*	*			trans	-172.8	128.8	141.5	-90.8	0	0	0	0	116
317	K	30.7	Very low	26.8	Very low	185 Å²	185	157.9 Å²	157.9	80%	0.804	77%	0.766	S	S	*	*			trans	66.5	126.1	142.4	-73.4	-177.7	177.1	176.1	0	122.8
318	M	25	Very low	26.8	Very low	151 Å²	151	153.5 Å²	153.5	74%	0.744	77%	0.765	S	S	*	*			trans	92.3	119.1	131	-75.3	-69.9	171.6	0	0	122.2
319	M	25.2	Very low	26.6	Very low	166 Å²	166	153.8 Å²	153.8	82%	0.818	77%	0.77	S	S	*	*			trans	43.9	119.8	149	-64.9	-177.6	175.1	0	0	118.6
320	Q	29.2	Very low	26.5	Very low	176 Å²	176	154 Å²	154	82%	0.822	78%	0.78	S	S	*	*				-161.2	145.7	69.9	-85.7	178	-6	0	0	114.6
321	I	25.2	Very low	26.8	Very low	144 Å²	144	152 Å²	152	74%	0.738	78%	0.778	S	S	*	*			trans	41.8	114.3	139.9	-57.1	176.6	0	0	0	120.2
322	N	22.9	Very low	26.9	Very low	122 Å²	122	149.7 Å²	149.7	65%	0.652	78%	0.78	S	S	*	*			trans	48.2	121.5	148.2	-70.7	44.5	0	0	0	122.6
323	E	22.5	Very low	26.8	Very low	151 Å²	151	145.7 Å²	145.7	71%	0.706	78%	0.776	S	S	*	*				71.4	140.6	128	-65.4	-171.8	-120.6	0	0	119.6
324	N	25.2	Very low	26.7	Very low	117 Å²	117	144.6 Å²	144.6	63%	0.626	78%	0.775	S	S	*	*			cis	-163	179.2	-6	-124.1	-33.1	0	0	0	109.9
325	R	32.2	Very low	26.7	Very low	242 Å²	242	144.3 Å²	144.3	91%	0.913	77%	0.773	S	S	*	*			trans	83.3	83.6	174.2	-56.6	172.3	166.4	156.8	-3.5	114.5
326	I	27.8	Very low	26.6	Very low	143 Å²	143	144.1 Å²	144.1	73%	0.733	77%	0.773	S	S	*	*			trans	-143.2	140	-165.7	-74.1	170.3	0	0	0	109.7
327	D	24.5	Very low	26.6	Very low	133 Å²	133	143.3 Å²	143.3	71%	0.711	77%	0.767	S	S	*	*			trans	16.7	146	146.5	-49.7	-38.2	0	0	0	123.8
328	S	27.8	Very low	26.5	Very low	102 Å²	102	141.2 Å²	141.2	71%	0.713	76%	0.764	S	S	*	*				40.7	93.8	128.6	-51.3	0	0	0	0	117.4
329	L	24.4	Very low	26.8	Very low	153 Å²	153	140.3 Å²	140.3	80%	0.801	76%	0.763	S	S	*	*			cis	62	125.2	38.9	-45.7	166.5	0	0	0	111.9	S331	L329-S331 PolarHBondContact O-N 2.86Å; L329-S331 VanDerWaalsContact O-N 3.1Å
330	P	24.1	Very low	26.8	Very low	137 Å²	137	138.3 Å²	138.3	89%	0.89	76%	0.755	S	S	*	*	S	Bend	trans	-92.1	84.6	-137.6	34.8	-38	0	0	0	114.9
331	S	34.2	Very low	26.9	Very low	110 Å²	110	137 Å²	137	77%	0.769	75%	0.754	S	S	*	*			trans	-152.5	97	173.6	60.9	0	0	0	0	115.6	L329	L329-S331 PolarHBondContact O-N 2.86Å; L329-S331 VanDerWaalsContact O-N 3.1Å
332	C	24.5	Very low	27.2	Very low	125 Å²	125	136.6 Å²	136.6	85%	0.845	75%	0.753	S	S	*	*			trans	-128.2	138	153.7	-66	0	0	0	0	106.3
333	S	24	Very low	27.8	Very low	107 Å²	107	135.4 Å²	135.4	75%	0.748	75%	0.75	S	S	*	*			cis	68.5	103.9	47.2	-160.7	0	0	0	0	111.9
334	N	26.3	Very low	28.3	Very low	149 Å²	149	135.1 Å²	135.1	80%	0.797	75%	0.753	S	S	*	*				69.3	107.7	68.7	-86.5	0.6	0	0	0	116.3
335	N	29.8	Very low	28.4	Very low	151 Å²	151	134.6 Å²	134.6	81%	0.807	76%	0.759	S	S	*	*			trans	177.7	119.1	145.2	-87.3	-28.4	0	0	0	105.9
336	N	25.2	Very low	28.1	Very low	153 Å²	153	131.1 Å²	131.1	82%	0.818	75%	0.747	S	S	*	*				59.7	128.2	68.4	-73.3	-8	0	0	0	115.5
337	S	28.7	Very low	27.8	Very low	92 Å²	92	128.6 Å²	128.6	64%	0.643	74%	0.735	S	S	*	*			cis	-166.7	178.4	-27.2	61.4	0	0	0	0	109.2
338	N	28.4	Very low	27.7	Very low	141 Å²	141	126.9 Å²	126.9	75%	0.754	73%	0.726	S	S	*	*			trans	77	112.1	170.6	-55.3	19	0	0	0	114.6
339	N	29.9	Very low	27.6	Very low	133 Å²	133	128.2 Å²	128.2	71%	0.711	73%	0.725	S	S	*	*	S	Bend	cis	-137.4	154.2	6.6	-93.1	49.1	0	0	0	108.5
340	D	26.2	Very low	27.7	Very low	124 Å²	124	123.4 Å²	123.4	66%	0.663	71%	0.712	S	S	*	*	S	Bend	cis	-131.5	159.5	2	-68.4	-65.9	0	0	0	110
341	D	31.5	Very low	27.9	Very low	149 Å²	149	124.1 Å²	124.1	80%	0.797	71%	0.708	S	S	*	*			trans	46.5	147.7	144.6	-66.5	-5.4	0	0	0	123.7
342	N	31.5	Very low	27.8	Very low	135 Å²	135	125.3 Å²	125.3	72%	0.722	71%	0.706	S	S	*	*			cis	-169.4	165.4	-25.2	-160.1	6.6	0	0	0	109.6
343	V	35.4	Very low	28	Very low	97 Å²	97	127.1 Å²	127.1	59%	0.588	71%	0.707	S	S	*	*			trans	50.7	117.6	144.8	147.7	0	0	0	0	121.6
344	D	32.7	Very low	28.4	Very low	144 Å²	144	127.5 Å²	127.5	77%	0.77	70%	0.701	S	S	*	*			trans	51.6	-166.2	139.8	-42.2	-24.7	0	0	0	117.6
345	S	28.2	Very low	28.6	Very low	106 Å²	106	127.9 Å²	127.9	74%	0.741	70%	0.698	S	S	*	*			cis	-149.7	-179.8	-8.4	-158.2	0	0	0	0	112.1
346	Y	24.1	Very low	28.3	Very low	169 Å²	169	126.4 Å²	126.4	66%	0.663	69%	0.69	S	S	*	*			trans	-58.5	167.3	176.6	-74	-94.8	0	0	0	117.4	L608	Y346-L608 HydrophobicContact CE1-CD2 4.11Å
347	N	22.7	Very low	28.3	Very low	91 Å²	91	123 Å²	123	49%	0.487	68%	0.678	S	S	.	*			trans	26.7	134.2	136.4	-62.7	-17.1	0	0	0	121.4
348	N	22.7	Very low	28.1	Very low	96 Å²	96	124.1 Å²	124.1	51%	0.513	69%	0.686	S	S	.	*			trans	69.8	132.1	132.3	-64.7	9.3	0	0	0	120.7	T606	N348-T606 HydrophobicContact CB-CG2 4.38Å; N348-T606 WeakPolarHBondContact ND2-CG2 3.18Å
349	N	24.6	Very low	28.1	Very low	131 Å²	131	121.7 Å²	121.7	70%	0.701	69%	0.686	S	S	*	*			trans	68.7	151.9	156.2	-50.9	-2.6	0	0	0	116.3
350	G	26.7	Very low	27.9	Very low	51 Å²	51	119.9 Å²	119.9	53%	0.526	68%	0.684	S	S	.	*			cis	-118.7	-178.7	-14.5	0	0	0	0	0	110.7
351	D	29	Very low	28	Very low	152 Å²	152	124.3 Å²	124.3	81%	0.813	69%	0.691	S	S	*	*				127.4	141.7	83	-73.1	-28	0	0	0	104.2
352	D	31.5	Very low	27.9	Very low	136 Å²	136	127.1 Å²	127.1	73%	0.727	69%	0.692	S	S	*	*			cis	-140.5	160	7.5	-70.5	-64.5	0	0	0	111.2
353	D	29.5	Very low	27.7	Very low	162 Å²	162	125 Å²	125	87%	0.866	69%	0.687	S	S	*	*			trans	63.3	149.1	148.9	-62.2	-17.2	0	0	0	123.6
354	D	31.1	Very low	27.4	Very low	115 Å²	115	126 Å²	126	62%	0.615	69%	0.694	S	S	*	*			trans	-111.4	-110.7	-151.8	-165.5	69	0	0	0	116	N356 K602	D354-N356 PolarHBondContact OD2-N 2.98Å; D354-K602 IonicContact OD1-NZ 2.67Å; D354-K602 PolarHBondContact OD1-NZ 2.93Å
355	E	31.5	Very low	27.3	Very low	158 Å²	158	122.7 Å²	122.7	74%	0.738	69%	0.686	S	S	*	*			cis	-131.7	126.7	5.1	177.3	-167.1	-177.4	0	0	110.4	S357	E355-S357 WeakPolarHBondContact OE1-CB 3Å; E355-S357 PolarHBondContact OE1-OG 2.71Å
356	N	23.5	Very low	27.4	Very low	119 Å²	119	126 Å²	126	64%	0.636	69%	0.69	S	S	*	*			trans	-90.9	95.7	165.7	-170.9	20.2	0	0	0	111.8	D354	D354-N356 PolarHBondContact OD2-N 2.98Å
357	S	25.5	Very low	27.6	Very low	82 Å²	82	123.2 Å²	123.2	57%	0.573	70%	0.696	S	S	*	*			trans	-147.6	154.9	-179.9	-168.8	0	0	0	0	114.3	E355	E355-S357 WeakPolarHBondContact OE1-CB 3Å; E355-S357 PolarHBondContact OE1-OG 2.71Å
358	S	24.2	Very low	27.6	Very low	116 Å²	116	124 Å²	124	81%	0.811	71%	0.709	S	S	*	*			trans	-89.5	120	-165.7	57.2	0	0	0	0	114.8
359	A	28.4	Very low	28	Very low	90 Å²	90	124.5 Å²	124.5	74%	0.744	72%	0.717	S	S	*	*			trans	-155.7	122.2	149.4	0	0	0	0	0	110.3
360	S	24.3	Very low	27.9	Very low	95 Å²	95	123.7 Å²	123.7	66%	0.664	72%	0.72	S	S	*	*				47	103.1	72.9	160.1	0	0	0	0	111.1
361	R	30.3	Very low	27.8	Very low	216 Å²	216	129.6 Å²	129.6	82%	0.815	73%	0.734	S	S	*	*				-156.4	152.6	59.4	-74.5	-169.5	179.7	115.3	8.3	114.3
362	Y	27.5	Very low	27.7	Very low	209 Å²	209	126.9 Å²	126.9	82%	0.82	72%	0.72	S	S	*	*			trans	21.4	142.2	133.2	-60.5	-84.3	0	0	0	119.8
363	S	28	Very low	27.5	Very low	89 Å²	89	130.5 Å²	130.5	62%	0.622	73%	0.729	S	S	*	*			cis	-168.5	160.6	17.4	-136.7	0	0	0	0	113.6
364	T	28.6	Very low	27.4	Very low	120 Å²	120	129.1 Å²	129.1	74%	0.736	72%	0.717	S	S	*	*			trans	53.2	132.1	138.2	-46.2	0	0	0	0	118.3
365	A	30.9	Very low	27.5	Very low	73 Å²	73	129 Å²	129	60%	0.603	72%	0.723	S	S	*	*			cis	-140.2	156.4	29	0	0	0	0	0	111.5
366	E	30.1	Very low	27.3	Very low	176 Å²	176	129.2 Å²	129.2	82%	0.822	73%	0.729	S	S	*	*				57.7	133.9	98.6	-57.8	167.4	-166.9	0	0	115.4
367	S	28.1	Very low	27.3	Very low	111 Å²	111	130.1 Å²	130.1	78%	0.776	73%	0.733	S	S	*	*			cis	-164.1	176.6	-10.6	56.4	0	0	0	0	111.5
368	S	23.9	Very low	27.2	Very low	108 Å²	108	133.3 Å²	133.3	76%	0.755	74%	0.743	S	S	*	*			trans	-41.7	173.5	170	-56.8	0	0	0	0	118
369	P	31.7	Very low	27.4	Very low	105 Å²	105	136.6 Å²	136.6	68%	0.682	74%	0.743	S	S	*	*			cis	-141.3	173.5	-34.7	37.5	-20.2	0	0	0	115.3
370	C	21.2	Very low	27.3	Very low	115 Å²	115	140.4 Å²	140.4	78%	0.777	74%	0.743	S	S	*	*			trans	65.6	163.2	155.4	-71.1	0	0	0	0	119.4
371	E	24.6	Very low	27.2	Very low	175 Å²	175	143.7 Å²	143.7	82%	0.818	75%	0.753	S	S	*	*			trans	56.7	124.7	171	-63	171.8	-162.9	0	0	116.7
372	D	27.2	Very low	27.1	Very low	95 Å²	95	141.9 Å²	141.9	51%	0.508	75%	0.751	S	S	.	*			cis	-158.1	167.2	-8.2	-98.8	-40	0	0	0	109.5	P1147	D372-P1147 HydrophobicContact CB-CG 3.59Å; D372-P1147 WeakPolarHBondContact OD2-CG 3.43Å
373	F	27.4	Very low	27.2	Very low	211 Å²	211	139 Å²	139	93%	0.925	75%	0.749	S	S	*	*			trans	-144.6	102.1	173.5	-92.4	-81.3	0	0	0	113.4
374	E	26.5	Very low	27.2	Very low	133 Å²	133	142.6 Å²	142.6	62%	0.621	75%	0.753	S	S	*	*			trans	-89.4	154.5	144.1	-108.8	-156.5	157.3	0	0	110.3	H1145	E374-H1145 WeakPolarHBondContact CG-O 3.26Å
375	P	34.9	Very low	27.3	Very low	113 Å²	113	145.3 Å²	145.3	73%	0.734	75%	0.754	S	S	*	*			trans	-88.6	156.8	-165.8	35.6	-36	0	0	0	113.2
376	N	26.4	Very low	27.2	Very low	163 Å²	163	151.1 Å²	151.1	87%	0.872	76%	0.762	S	S	*	*			trans	-142.6	147.9	160.8	-144.1	-30.3	0	0	0	112.6
377	I	23.3	Very low	26.9	Very low	137 Å²	137	149.2 Å²	149.2	70%	0.703	76%	0.757	S	S	*	*			trans	-101.9	143.6	-175.9	-72.5	174.3	0	0	0	109.4
378	N	23.4	Very low	26.9	Very low	149 Å²	149	149.2 Å²	149.2	80%	0.797	75%	0.753	S	S	*	*			trans	65.6	115.4	177.1	-60.4	-35.4	0	0	0	117
379	K	28.8	Very low	27.4	Very low	185 Å²	185	151.8 Å²	151.8	80%	0.804	76%	0.758	S	S	*	*				-152.7	131.8	126.3	-113.7	173.8	-174.8	171.6	0	113.7
380	F	25.5	Very low	27.1	Very low	171 Å²	171	154.2 Å²	154.2	75%	0.75	77%	0.765	S	S	*	*			trans	55.4	85.3	159.5	-59.7	-57.2	0	0	0	121.2
381	N	22.7	Very low	27.4	Very low	163 Å²	163	156.2 Å²	156.2	87%	0.872	76%	0.764	S	S	*	*				-61.4	117.6	120.9	-119.2	-27.1	0	0	0	109.6
382	K	27.4	Very low	27.6	Very low	179 Å²	179	155.6 Å²	155.6	78%	0.778	77%	0.766	S	S	*	*			trans	154.9	110.5	143.9	-88.9	169	179.8	174	0	114.6
383	I	30.3	Very low	27.7	Very low	149 Å²	149	157.9 Å²	157.9	76%	0.764	78%	0.778	S	S	*	*				-151.1	100.7	125.8	-98.2	143.7	0	0	0	103.9
384	K	29	Very low	27.7	Very low	163 Å²	163	157.4 Å²	157.4	71%	0.709	78%	0.775	S	S	*	*				70.5	139.7	93.4	-68.7	167.5	-171.7	169.6	0	110.8
385	K	30	Very low	27.9	Very low	177 Å²	177	157 Å²	157	77%	0.77	78%	0.783	S	S	*	*			cis	-163.8	126.2	32.4	-148.8	169	179.5	-171.2	0	112.1
386	Y	27.8	Very low	28.1	Very low	196 Å²	196	157.8 Å²	157.8	77%	0.769	78%	0.779	S	S	*	*			trans	59	129.7	146.4	-72.8	-113.9	0	0	0	118.2
387	N	24.4	Very low	28.4	Very low	135 Å²	135	152.3 Å²	152.3	72%	0.722	76%	0.761	S	S	*	*				58.2	130.6	71.6	-70	34.4	0	0	0	112.3
388	T	28.6	Very low	28.9	Very low	112 Å²	112	153.5 Å²	153.5	69%	0.687	76%	0.764	S	S	*	*			cis	-157.3	151	7	-11.1	0	0	0	0	109.3
389	D	33.3	Very low	29.6	Very low	162 Å²	162	154.8 Å²	154.8	87%	0.866	76%	0.762	S	S	*	*				177.8	167.6	115.5	-89.2	-23.8	0	0	0	111
390	N	26.8	Very low	30.4	Very low	155 Å²	155	150.4 Å²	150.4	83%	0.829	75%	0.747	S	S	*	*			trans	-123.5	166.9	-163.6	-158.7	-4.6	0	0	0	111.5
391	Q	26.9	Very low	30.8	Very low	158 Å²	158	147.3 Å²	147.3	74%	0.738	74%	0.738	S	S	*	*			trans	69.2	88.2	-177.7	-53.1	179.3	-13.8	0	0	115.4
392	N	29.7	Very low	31.3	Very low	161 Å²	161	148 Å²	148	86%	0.861	73%	0.733	S	S	*	*				-151.8	140.3	94.2	-105.6	-39.1	0	0	0	114.6
393	N	27.8	Very low	31.8	Very low	144 Å²	144	146.2 Å²	146.2	77%	0.77	73%	0.732	S	S	*	*			trans	-71.5	170.6	-165.8	-62.4	-59.3	0	0	0	115.1
394	K	28.3	Very low	31.9	Very low	200 Å²	200	149 Å²	149	87%	0.87	73%	0.732	S	S	*	*	S	Bend	trans	92.4	34.3	146.3	-138.9	-175.7	-176.6	-169.1	0	120.1
395	T	31.2	Very low	31.9	Very low	126 Å²	126	149.7 Å²	149.7	77%	0.773	74%	0.738	S	S	*	*	S	Bend	trans	-149.4	25.1	157.4	-23.6	0	0	0	0	115.6
396	I	37.6	Very low	31.8	Very low	129 Å²	129	147.7 Å²	147.7	66%	0.662	74%	0.736	S	S	*	*	S	Bend	trans	-124.2	-18.6	-177.3	-63.7	-178.3	0	0	0	114.2	I400	I396-I400 HydrophobicContact CG2-CD1 4.09Å
397	G	34.8	Very low	31.9	Very low	48 Å²	48	147 Å²	147	50%	0.495	74%	0.737	S	S	.	*	G	3₁₀ helix	trans	-64.2	-47.9	178.7	0	0	0	0	0	113.7	K399 I400 D401	G397-K399 PolarHBondContact O-N 3.02Å; G397-I400 PolarHBondContact O-N 3.03Å; G397-D401 PolarHBondContact O-N 3.46Å
398	E	32.8	Very low	31.9	Very low	162 Å²	162	147.8 Å²	147.8	76%	0.757	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-67.1	-12.6	-172.5	-63.5	170.6	157	0	0	114.4
399	K	38	Very low	32	Very low	176 Å²	176	147.6 Å²	147.6	77%	0.765	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-93.5	-6.8	173.1	-112.3	175.3	-179.4	173	0	114	G397	G397-K399 PolarHBondContact O-N 3.02Å
400	I	44.9	Very low	31.7	Very low	93 Å²	93	146.2 Å²	146.2	48%	0.477	73%	0.73	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.3	-38.1	-178.1	-66	177.4	0	0	0	111.7	I396 G397 L403	I396-I400 HydrophobicContact CG2-CD1 4.09Å; G397-I400 PolarHBondContact O-N 3.03Å; I400-L403 WeakPolarHBondContact O-CB 3.37Å; I400-L403 PolarHBondContact O-N 3.18Å
401	D	34.2	Very low	31.6	Very low	106 Å²	106	144.7 Å²	144.7	57%	0.567	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-73.3	-28.8	176.4	-69.1	-47.2	0	0	0	112.9	G397 L403 R404 Q405	G397-D401 PolarHBondContact O-N 3.46Å; D401-L403 PolarHBondContact O-N 3.01Å; D401-L403 VanDerWaalsContact O-N 3.08Å; D401-R404 PolarHBondContact O-N 2.97Å; D401-Q405 PolarHBondContact O-N 3.48Å
402	K	33.3	Very low	31.5	Very low	176 Å²	176	145.9 Å²	145.9	77%	0.765	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-62.1	-10.5	165.9	-73.7	-173.5	176	-178.2	0	113.8
403	L	38.9	Very low	31.3	Very low	143 Å²	143	146.4 Å²	146.4	75%	0.749	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-104.3	5.4	171.8	-69.6	172.7	0	0	0	113.8	I400 D401	I400-L403 WeakPolarHBondContact O-CB 3.37Å; I400-L403 PolarHBondContact O-N 3.18Å; D401-L403 PolarHBondContact O-N 3.01Å; D401-L403 VanDerWaalsContact O-N 3.08Å
404	R	31.7	Very low	31.2	Very low	207 Å²	207	145.2 Å²	145.2	78%	0.781	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.8	-19.6	176.7	-77.3	-173.4	164.7	-166.2	-4.3	115.5	D401	D401-R404 PolarHBondContact O-N 2.97Å
405	Q	28.3	Very low	30.9	Very low	178 Å²	178	143.2 Å²	143.2	83%	0.832	72%	0.72	S	S	*	*	S	Bend	trans	-87.7	-4.7	172.6	-72.8	-173.1	-16.9	0	0	114.7	D401 K407	D401-Q405 PolarHBondContact O-N 3.48Å; Q405-K407 PolarHBondContact O-N 3.25Å
406	N	29.4	Very low	30.5	Very low	134 Å²	134	143 Å²	143	72%	0.717	72%	0.724	S	S	*	*			trans	-79.6	55.8	178.6	-157.6	-5.8	0	0	0	113
407	K	29.7	Very low	30.1	Very low	183 Å²	183	143.5 Å²	143.5	80%	0.796	73%	0.733	S	S	*	*			trans	-151.8	69.5	174.7	-77.7	-165.4	176.1	-179.4	0	111.9	Q405	Q405-K407 PolarHBondContact O-N 3.25Å
408	N	23.5	Very low	29.8	Very low	151 Å²	151	149.5 Å²	149.5	81%	0.807	75%	0.75	S	S	*	*	S	Bend	trans	175.2	61.6	134.7	-87.2	-10.8	0	0	0	112.6
409	S	30.4	Very low	29.3	Very low	108 Å²	108	148.9 Å²	148.9	76%	0.755	75%	0.752	S	S	*	*			trans	-148.7	112.5	160	-45.2	0	0	0	0	104.3
410	K	26.8	Very low	28.8	Very low	132 Å²	132	146.1 Å²	146.1	57%	0.574	75%	0.746	S	S	*	*			cis	56.8	130.7	26.7	-74.2	-172.6	157.2	-133.2	0	111.9
411	E	26.1	Very low	28.4	Very low	123 Å²	123	144.9 Å²	144.9	58%	0.575	74%	0.738	S	S	*	*			cis	-158.1	112.2	5.9	-126.1	151.7	-178.2	0	0	111.4
412	K	23.3	Very low	28.3	Very low	184 Å²	184	142.3 Å²	142.3	80%	0.8	73%	0.728	S	S	*	*	S	Bend	trans	-161.4	29.4	170.4	-125.5	166.1	-169.6	169.3	0	119.6
413	L	26.6	Very low	28.7	Very low	172 Å²	172	137.9 Å²	137.9	90%	0.901	72%	0.716	S	S	*	*	S	Bend	trans	-146.3	19.7	165	-143.6	78.3	0	0	0	117.1
414	T	25.5	Very low	29.6	Very low	119 Å²	119	132 Å²	132	73%	0.73	69%	0.688	S	S	*	*			trans	-142.6	88.1	173.5	53.5	0	0	0	0	112.3
415	N	22.7	Very low	31.7	Very low	157 Å²	157	126.2 Å²	126.2	84%	0.84	67%	0.672	S	S	*	*			trans	-174.5	83.3	149.7	-100.3	-29.5	0	0	0	113
416	S	23	Very low	34.6	Very low	122 Å²	122	121.3 Å²	121.3	85%	0.853	65%	0.649	S	S	*	*			trans	-165.8	79.1	154.3	-89.6	0	0	0	0	112.9
417	T	29.2	Very low	37.5	Very low	140 Å²	140	117.5 Å²	117.5	86%	0.859	63%	0.626	S	S	*	*	S	Bend		-173.8	89	128.9	-73.5	0	0	0	0	110.4
418	M	26.7	Very low	40.4	Very low	173 Å²	173	116.9 Å²	116.9	85%	0.852	62%	0.619	S	S	*	*			trans	37	108.6	148.1	-68.2	-67.6	135.1	0	0	120.7
419	N	23.6	Very low	43.7	Very low	149 Å²	149	110.6 Å²	110.6	80%	0.797	59%	0.586	S	S	*	*			trans	-47.9	138.9	163.9	-86	-56	0	0	0	114.8
420	N	26.4	Very low	46.6	Very low	118 Å²	118	108 Å²	108	63%	0.631	56%	0.563	S	S	*	*			trans	-157.6	127.1	151.4	-101.9	-75.5	0	0	0	110.7	K801	N420-K801 PolarHBondContact OD1-NZ 3.47Å
421	Q	36.4	Very low	49.8	Very low	68 Å²	68	101.8 Å²	101.8	32%	0.318	54%	0.536	S	S	.	.			trans	-69.2	136.1	175.5	-68.6	81.9	-7.9	0	0	112.5	H800 K801	Q421-H800 PolarHBondContact NE2-O 3.43Å; Q421-H800 PolarHBondContact OE1-O 2.68Å; Q421-K801 HydrophobicContact CB-CB 4.49Å
422	S	33.2	Very low	52.8	Low	52 Å²	52	99.7 Å²	99.7	36%	0.364	53%	0.526	S	S	.	.				-147.8	148.7	113.6	59.4	0	0	0	0	108.3	A424	S422-A424 PolarHBondContact O-N 2.86Å
423	V	42.4	Very low	56	Low	82 Å²	82	96.5 Å²	96.5	50%	0.497	51%	0.509	S	S	.	.			trans	-74.4	84.7	164.5	176.2	0	0	0	0	106.9	R504 P952	V423-R504 PolarHBondContact O-NH2 2.86Å; V423-P952 HydrophobicContact CB-CB 3.8Å; V423-P952 HydrophobicContact CG2-CB 3.6Å; V423-P952 HydrophobicContact CG2-CG 4.35Å
424	A	56.9	Low	58.8	Low	20 Å²	20	89.9 Å²	89.9	17%	0.165	48%	0.475	C	S	.	.			trans	-65.9	132.9	170.7	0	0	0	0	0	108.3	S422 E426 R501 L503	S422-A424 PolarHBondContact O-N 2.86Å; A424-E426 PolarHBondContact O-N 3.24Å; A424-E426 VanDerWaalsContact O-N 3.12Å; A424-R501 HydrophobicContact CB-CG 3.47Å; A424-R501 VanDerWaalsContact CB-CG 3.47Å; A424-L503 HydrophobicContact CB-CD2 3.93Å
425	L	75.7	Confident	61.6	Low	85 Å²	85	92.8 Å²	92.8	45%	0.445	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	104.8	177.1	-83.7	161.1	0	0	0	107.9	R502	L425-R502 HydrophobicContact CB-CB 4.33Å; L425-R502 PolarHBondContact N-O 3.1Å; L425-R502 PolarHBondContact O-N 3.42Å
426	E	88.3	Confident	64.4	Low	75 Å²	75	93.2 Å²	93.2	35%	0.35	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	128	166.1	-60.8	-161.1	175.2	0	0	109.6	A424 I471 R499 L500 R501	A424-E426 PolarHBondContact O-N 3.24Å; A424-E426 VanDerWaalsContact O-N 3.12Å; E426-I471 HydrophobicContact CB-CD1 4.21Å; E426-I471 HydrophobicContact CG-CD1 3.68Å; E426-I471 WeakPolarHBondContact OE1-CD1 3.25Å; E426-I471 WeakPolarHBondContact OE2-CD1 3.31Å; E426-R499 IonicContact OE2-CZ 3.48Å; E426-R499 IonicContact OE2-NE 3.64Å; E426-R499 PolarHBondContact OE2-NE 3.27Å; E426-R499 IonicContact OE2-NH2 2.71Å; E426-R499 PolarHBondContact OE2-NH2 2.73Å; E426-L500 VanDerWaalsContact CA-O 3.26Å; E426-L500 WeakPolarHBondContact CA-O 2.82Å; E426-R501 HydrophobicContact CG-CB 4.45Å; E426-R501 HydrophobicContact CG-CG 4.34Å; E426-R501 IonicContact OE1-CZ 3.57Å; E426-R501 IonicContact OE1-NE 3.52Å; E426-R501 PolarHBondContact OE1-NE 3.34Å; E426-R501 IonicContact OE1-NH2 2.69Å; E426-R501 PolarHBondContact OE1-NH2 3.14Å
427	F	90.4	Very high	67.5	Low	54 Å²	54	88.3 Å²	88.3	24%	0.237	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	153.8	175.7	69	-75.4	0	0	0	110	T429 L500 R502	F427-T429 HydrophobicContact CE2-CG2 4.42Å; F427-L500 HydrophobicContact CD1-CB 4.18Å; F427-L500 HydrophobicContact CE1-CB 3.7Å; F427-L500 HydrophobicContact CE1-CD1 4.23Å; F427-L500 HydrophobicContact CE2-CB 4.44Å; F427-L500 HydrophobicContact CE2-CD1 3.74Å; F427-L500 HydrophobicContact CZ-CB 3.85Å; F427-L500 HydrophobicContact CZ-CD1 3.48Å; F427-L500 VanDerWaalsContact CZ-CD1 3.48Å; F427-L500 HydrophobicContact CZ-CG 4.32Å; F427-L500 PolarHBondContact N-O 2.9Å; F427-L500 PolarHBondContact O-N 2.8Å; F427-R502 HydrophobicContact CE1-CB 4.1Å
428	R	91.3	Very high	70.5	Confident	170 Å²	170	82.6 Å²	82.6	64%	0.642	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	141.9	172.6	-165.5	172.2	178.9	-178.1	-3.7	108.8	S497 L498	R428-S497 PolarHBondContact NE-OG 2.99Å; R428-S497 PolarHBondContact NH2-OG 2.87Å; R428-L498 CarbonylContact C-O 3.43Å; R428-L498 WeakPolarHBondContact CA-O 3.06Å
429	T	92.3	Very high	73.5	Confident	19 Å²	19	74.8 Å²	74.8	12%	0.117	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	166.2	171.2	-167.3	0	0	0	0	110.3	F427 A462 L464 S497 L498 L500	F427-T429 HydrophobicContact CE2-CG2 4.42Å; T429-A462 PolarHBondContact OG1-O 3.36Å; T429-L464 HydrophobicContact CG2-CD1 4.04Å; T429-L464 HydrophobicContact CG2-CG 4.19Å; T429-S497 CarbonylContact O-C 3.59Å; T429-S497 WeakPolarHBondContact O-CA 3.36Å; T429-L498 HydrophobicContact CG2-CB 4.2Å; T429-L498 PolarHBondContact N-O 3.3Å; T429-L498 PolarHBondContact O-N 3.15Å; T429-L500 HydrophobicContact CG2-CD1 3.54Å; T429-L500 HydrophobicContact CG2-CG 4.49Å
430	I	92.2	Very high	76.9	Confident	55 Å²	55	69.1 Å²	69.1	28%	0.282	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.5	-179.9	-57.3	179.8	0	0	0	107.4	A462 Q495 V496	I430-A462 VanDerWaalsContact O-CB 3.26Å; I430-A462 WeakPolarHBondContact O-CB 3.43Å; I430-Q495 HydrophobicContact CG2-CG 3.33Å; I430-V496 CarbonylContact C-O 3.59Å; I430-V496 WeakPolarHBondContact CA-O 3.34Å
431	V	92.7	Very high	80	Confident	0 Å²	0	71 Å²	71	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	113.8	179.5	-163.5	0	0	0	0	109.5	Y438 N458 A459 A462 L464 V496 L498	V431-Y438 HydrophobicContact CG1-CD1 4.42Å; V431-N458 HydrophobicContact CG1-CB 4.41Å; V431-A459 HydrophobicContact CG1-CB 4.28Å; V431-A462 HydrophobicContact CG2-CB 4.07Å; V431-L464 HydrophobicContact CG2-CD1 3.34Å; V431-V496 PolarHBondContact N-O 2.84Å; V431-V496 PolarHBondContact O-N 2.88Å; V431-L498 HydrophobicContact CG2-CD1 4.09Å
432	Q	90.2	Very high	82.6	Confident	79 Å²	79	68.9 Å²	68.9	37%	0.369	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	138.8	169	-56.6	-176.5	21.8	0	0	110.1	N458 Q495 D1143	Q432-N458 VanDerWaalsContact O-CB 3.27Å; Q432-N458 WeakPolarHBondContact O-CB 3.25Å; Q432-N458 PolarHBondContact O-ND2 3.49Å; Q432-Q495 HydrophobicContact CG-CG 4.34Å; Q432-D1143 PolarHBondContact NE2-OD1 3.48Å
433	R	89.4	Confident	85.3	Confident	117 Å²	117	68.6 Å²	68.6	44%	0.442	32%	0.322	S	S	.	.			trans	-73.7	124.8	176.3	-166.1	176.8	-178	141.2	-14.8	110.7	Y438 N494	R433-Y438 HydrophobicContact CB-CD1 3.93Å; R433-Y438 HydrophobicContact CB-CE1 3.62Å; R433-Y438 HydrophobicContact CG-CD1 4.28Å; R433-Y438 HydrophobicContact CG-CE1 3.97Å; R433-Y438 HydrophobicContact CG-CE2 4.35Å; R433-Y438 PolarHBondContact NH1-OH 3.05Å; R433-N494 VanDerWaalsContact CB-O 3.24Å; R433-N494 WeakPolarHBondContact CB-O 3.38Å; R433-N494 PolarHBondContact N-O 3.01Å
434	D	86.8	Confident	87.4	Confident	33 Å²	33	66.6 Å²	66.6	18%	0.176	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-91.4	175.5	166.5	70.7	54.4	0	0	0	111.2	Y436 G437 R454	D434-Y436 PolarHBondContact O-N 3.27Å; D434-Y436 VanDerWaalsContact OD1-CA 3.27Å; D434-Y436 WeakPolarHBondContact OD1-CA 3.45Å; D434-Y436 VanDerWaalsContact OD1-CB 3.23Å; D434-Y436 WeakPolarHBondContact OD1-CB 3.49Å; D434-Y436 WeakPolarHBondContact OD1-CD2 3.5Å; D434-Y436 PolarHBondContact OD1-N 2.95Å; D434-G437 PolarHBondContact N-O 3.13Å; D434-G437 WeakPolarHBondContact O-CA 3.48Å; D434-G437 PolarHBondContact O-N 2.85Å; D434-R454 IonicContact OD1-CZ 3.96Å; D434-R454 IonicContact OD1-NH2 2.9Å; D434-R454 PolarHBondContact OD1-NH2 2.79Å; D434-R454 IonicContact OD2-CZ 4Å; D434-R454 IonicContact OD2-NH2 2.83Å; D434-R454 PolarHBondContact OD2-NH2 2.99Å
435	E	82.8	Confident	88.7	Confident	180 Å²	180	70.5 Å²	70.5	84%	0.841	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-22	178.6	-59.2	176.1	148.6	0	0	113.5
436	Y	82.3	Confident	89	Confident	167 Å²	167	71.7 Å²	71.7	66%	0.655	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	16.6	-179.8	-44.4	-104.7	0	0	0	111.5	D434 R454	D434-Y436 PolarHBondContact O-N 3.27Å; D434-Y436 VanDerWaalsContact OD1-CA 3.27Å; D434-Y436 WeakPolarHBondContact OD1-CA 3.45Å; D434-Y436 VanDerWaalsContact OD1-CB 3.23Å; D434-Y436 WeakPolarHBondContact OD1-CB 3.49Å; D434-Y436 WeakPolarHBondContact OD1-CD2 3.5Å; D434-Y436 PolarHBondContact OD1-N 2.95Å; Y436-R454 VanDerWaalsContact CB-NH1 3.28Å
437	G	88.5	Confident	88.7	Confident	18 Å²	18	70.5 Å²	70.5	19%	0.186	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	90.7	-157	-178.6	0	0	0	0	0	113.4	D434 G439	D434-G437 PolarHBondContact N-O 3.13Å; D434-G437 WeakPolarHBondContact O-CA 3.48Å; D434-G437 PolarHBondContact O-N 2.85Å; G437-G439 PolarHBondContact O-N 2.8Å
438	Y	91.8	Very high	88.7	Confident	20 Å²	20	68 Å²	68	8%	0.078	33%	0.326	C	S	.	.	S	Bend	trans	-78.2	-3.6	-178.1	-50.8	-84.6	0	0	0	113.7	V431 R433 F440 A459 I490 R493 V496	V431-Y438 HydrophobicContact CG1-CD1 4.42Å; R433-Y438 HydrophobicContact CB-CD1 3.93Å; R433-Y438 HydrophobicContact CB-CE1 3.62Å; R433-Y438 HydrophobicContact CG-CD1 4.28Å; R433-Y438 HydrophobicContact CG-CE1 3.97Å; R433-Y438 HydrophobicContact CG-CE2 4.35Å; R433-Y438 PolarHBondContact NH1-OH 3.05Å; Y438-F440 VanDerWaalsContact CB-CE1 3.48Å; Y438-F440 HydrophobicContact CG-CE1 4.24Å; Y438-F440 PolarHBondContact O-N 2.89Å; Y438-A459 WeakPolarHBondContact O-CB 3.26Å; Y438-A459 PolarHBondContact O-N 2.88Å; Y438-A459 VanDerWaalsContact O-N 3.16Å; Y438-I490 HydrophobicContact CD2-CG2 3.99Å; Y438-I490 HydrophobicContact CE2-CG2 4Å; Y438-I490 VanDerWaalsContact CZ-O 3.3Å; Y438-I490 PolarHBondContact OH-O 3.39Å; Y438-I490 VanDerWaalsContact OH-O 3.04Å; Y438-R493 PolarHBondContact OH-O 2.84Å; Y438-V496 HydrophobicContact CD1-CG2 4.03Å; Y438-V496 HydrophobicContact CE1-CB 4.45Å; Y438-V496 HydrophobicContact CE1-CG2 3.44Å; Y438-V496 VanDerWaalsContact CE1-CG2 3.44Å
439	G	90.4	Very high	88.7	Confident	10 Å²	10	61.2 Å²	61.2	10%	0.103	31%	0.305	C	S	.	.	S	Bend	trans	74.3	15	-179.6	0	0	0	0	0	115.8	G437 R454	G437-G439 PolarHBondContact O-N 2.8Å; G439-R454 WeakPolarHBondContact O-CB 3.25Å; G439-R454 PolarHBondContact O-N 2.75Å
440	F	93.8	Very high	88.7	Confident	30 Å²	30	60.5 Å²	60.5	13%	0.132	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	165.3	173.1	72.4	-76.2	0	0	0	112.7	Y438 V442 V450 N452 V453 A459 I490 L498	Y438-F440 VanDerWaalsContact CB-CE1 3.48Å; Y438-F440 HydrophobicContact CG-CE1 4.24Å; Y438-F440 PolarHBondContact O-N 2.89Å; F440-V442 HydrophobicContact CD2-CG1 4.28Å; F440-V442 HydrophobicContact CE2-CG1 3.89Å; F440-V450 HydrophobicContact CB-CG1 4.46Å; F440-V450 HydrophobicContact CD2-CG1 4.34Å; F440-V450 HydrophobicContact CD2-CG2 4.35Å; F440-N452 CarbonylContact C-O 3.6Å; F440-N452 WeakPolarHBondContact CA-O 3.24Å; F440-V453 HydrophobicContact CB-CG2 4.37Å; F440-A459 HydrophobicContact CB-CB 3.76Å; F440-A459 HydrophobicContact CD1-CB 3.74Å; F440-A459 HydrophobicContact CG-CB 4.11Å; F440-I490 HydrophobicContact CE2-CD1 4.35Å; F440-I490 HydrophobicContact CZ-CD1 4.17Å; F440-I490 HydrophobicContact CZ-CG2 4.21Å; F440-L498 HydrophobicContact CE1-CD1 4.35Å; F440-L498 HydrophobicContact CE2-CD1 4.38Å; F440-L498 HydrophobicContact CZ-CD1 3.8Å
441	R	92.1	Very high	88.7	Confident	156 Å²	156	62.8 Å²	62.8	59%	0.589	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	146.1	168.9	-63.4	-160.9	-63.3	-122	6.4	110.4	H451 N452	R441-H451 WeakPolarHBondContact O-CB 3.23Å; R441-H451 PolarHBondContact O-N 2.8Å; R441-N452 PolarHBondContact N-O 3.02Å; R441-N452 PolarHBondContact O-N 3.05Å
442	V	92.1	Very high	88.5	Confident	25 Å²	25	66.5 Å²	66.5	15%	0.152	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	157.5	176.1	-90	0	0	0	0	111.9	F440 V448 S449 I470 H483 V487	F440-V442 HydrophobicContact CD2-CG1 4.28Å; F440-V442 HydrophobicContact CE2-CG1 3.89Å; V442-V448 HydrophobicContact CB-CG1 3.76Å; V442-V448 HydrophobicContact CG1-CG1 3.84Å; V442-S449 CarbonylContact C-O 3.58Å; V442-S449 VanDerWaalsContact CA-O 3.22Å; V442-S449 WeakPolarHBondContact CA-O 3.35Å; V442-I470 HydrophobicContact CG1-CD1 3.53Å; V442-H483 PolarHBondContact O-CE1 3.2Å; V442-V487 HydrophobicContact CG2-CG2 3.63Å
443	C	88.8	Confident	88.6	Confident	45 Å²	45	63.7 Å²	63.7	30%	0.304	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	154.6	171.7	65.2	0	0	0	0	112.1	S449 H451	C443-S449 PolarHBondContact N-O 2.81Å; C443-S449 PolarHBondContact O-N 2.93Å; C443-S449 PolarHBondContact O-OG 3.44Å; C443-H451 HydrophobicContact CB-CB 3.92Å; C443-H451 VanDerWaalsContact SG-CB 3.53Å
444	G	87.5	Confident	88.7	Confident	41 Å²	41	62.8 Å²	62.8	42%	0.423	31%	0.314	S	S	.	.			trans	96	151	-178.3	0	0	0	0	0	112.7	V448	G444-V448 WeakPolarHBondContact O-CG2 2.97Å
445	N	82.3	Confident	88.7	Confident	101 Å²	101	69.1 Å²	69.1	54%	0.54	34%	0.34	S	S	.	.	S	Bend	trans	-109.7	137.2	167.8	-84.6	-16.7	0	0	0	107.5	H483	N445-H483 WeakPolarHBondContact OD1-CB 3.45Å; N445-H483 PolarHBondContact OD1-N 2.95Å
446	K	83.9	Confident	89	Confident	110 Å²	110	67 Å²	67	48%	0.478	33%	0.334	S	S	.	.	S	Bend	trans	37.9	71.7	168	-54.5	-170.2	-167.1	-147.4	0	115.1	I479 D480 L481 N482	K446-I479 VanDerWaalsContact CA-O 3.26Å; K446-I479 WeakPolarHBondContact CA-O 3.27Å; K446-D480 VanDerWaalsContact CD-O 3.32Å; K446-D480 WeakPolarHBondContact CD-O 3.36Å; K446-D480 WeakPolarHBondContact CE-O 3.42Å; K446-D480 PolarHBondContact NZ-O 3.02Å; K446-L481 WeakPolarHBondContact CG-O 3.33Å; K446-N482 WeakPolarHBondContact CE-OD1 2.99Å
447	P	81.8	Confident	89.3	Confident	51 Å²	51	59 Å²	59	33%	0.331	30%	0.304	S	S	.	.	S	Bend	cis	-95.8	156.2	10.2	36.3	-35.2	0	0	0	114.3
448	V	88.8	Confident	89.4	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.303	C	S	.	.			trans	-82.6	145.7	172.5	-170.8	0	0	0	0	110.7	V442 G444 I470 V486	V442-V448 HydrophobicContact CB-CG1 3.76Å; V442-V448 HydrophobicContact CG1-CG1 3.84Å; G444-V448 WeakPolarHBondContact O-CG2 2.97Å; V448-I470 PolarHBondContact O-N 2.6Å; V448-V486 HydrophobicContact CB-CG1 4.14Å; V448-V486 HydrophobicContact CG1-CG1 4.04Å; V448-V486 HydrophobicContact CG2-CB 3.97Å; V448-V486 HydrophobicContact CG2-CG1 4.08Å; V448-V486 HydrophobicContact CG2-CG2 3.76Å
449	S	92.3	Very high	89.4	Confident	29 Å²	29	58.8 Å²	58.8	20%	0.203	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	155.6	-177.3	62.9	0	0	0	0	113.2	V442 C443 H451 D468	V442-S449 CarbonylContact C-O 3.58Å; V442-S449 VanDerWaalsContact CA-O 3.22Å; V442-S449 WeakPolarHBondContact CA-O 3.35Å; C443-S449 PolarHBondContact N-O 2.81Å; C443-S449 PolarHBondContact O-N 2.93Å; C443-S449 PolarHBondContact O-OG 3.44Å; S449-H451 PolarHBondContact O-N 2.69Å; S449-D468 CarbonylContact C-O 3.52Å; S449-D468 WeakPolarHBondContact CA-O 3.16Å
450	V	93.1	Very high	89.5	Confident	3 Å²	3	62.6 Å²	62.6	2%	0.018	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	115.5	178	-179.1	0	0	0	0	109.7	F440 V453 L464 A466 G467 D468	F440-V450 HydrophobicContact CB-CG1 4.46Å; F440-V450 HydrophobicContact CD2-CG1 4.34Å; F440-V450 HydrophobicContact CD2-CG2 4.35Å; V450-V453 HydrophobicContact CG1-CG2 3.73Å; V450-L464 HydrophobicContact CG2-CD2 3.68Å; V450-A466 WeakPolarHBondContact O-CA 3.11Å; V450-G467 PolarHBondContact O-N 2.81Å; V450-D468 HydrophobicContact CB-CB 4.46Å; V450-D468 HydrophobicContact CG2-CB 4.17Å; V450-D468 PolarHBondContact N-O 3.12Å
451	H	90.2	Very high	89.3	Confident	103 Å²	103	68.3 Å²	68.3	48%	0.477	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-46.9	-178.6	-174.1	63.4	0	0	0	112.8	R441 C443 S449	R441-H451 WeakPolarHBondContact O-CB 3.23Å; R441-H451 PolarHBondContact O-N 2.8Å; C443-H451 HydrophobicContact CB-CB 3.92Å; C443-H451 VanDerWaalsContact SG-CB 3.53Å; S449-H451 PolarHBondContact O-N 2.69Å
452	N	89.9	Confident	89.2	Confident	79 Å²	79	61.9 Å²	61.9	42%	0.422	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	148.1	-173.9	-167	2.8	0	0	0	109.9	F440 R441	F440-N452 CarbonylContact C-O 3.6Å; F440-N452 WeakPolarHBondContact CA-O 3.24Å; R441-N452 PolarHBondContact N-O 3.02Å; R441-N452 PolarHBondContact O-N 3.05Å
453	V	92.9	Very high	89	Confident	20 Å²	20	62.2 Å²	62.2	12%	0.121	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.9	179.4	-173.9	0	0	0	0	108.2	F440 V450 K455 A459 E460 L464	F440-V453 HydrophobicContact CB-CG2 4.37Å; V450-V453 HydrophobicContact CG1-CG2 3.73Å; V453-K455 PolarHBondContact O-N 2.82Å; V453-A459 HydrophobicContact CG1-CB 3.88Å; V453-E460 HydrophobicContact CG1-CB 3.82Å; V453-L464 HydrophobicContact CG2-CB 4.39Å
454	R	90.7	Very high	89.2	Confident	98 Å²	98	60.2 Å²	60.2	37%	0.37	31%	0.314	S	S	.	.			trans	-71	123.7	176.8	-177.5	174.7	76.3	155.6	-5.8	108.6	D434 Y436 G439 D456 G457	D434-R454 IonicContact OD1-CZ 3.96Å; D434-R454 IonicContact OD1-NH2 2.9Å; D434-R454 PolarHBondContact OD1-NH2 2.79Å; D434-R454 IonicContact OD2-CZ 4Å; D434-R454 IonicContact OD2-NH2 2.83Å; D434-R454 PolarHBondContact OD2-NH2 2.99Å; Y436-R454 VanDerWaalsContact CB-NH1 3.28Å; G439-R454 WeakPolarHBondContact O-CB 3.25Å; G439-R454 PolarHBondContact O-N 2.75Å; R454-D456 PolarHBondContact O-N 3.2Å; R454-G457 PolarHBondContact O-N 3.32Å
455	K	87.2	Confident	89.4	Confident	165 Å²	165	64.4 Å²	64.4	72%	0.717	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	136	174.4	-68.6	-172.2	177.2	-176.6	0	111.1	V453 G457 E460	V453-K455 PolarHBondContact O-N 2.82Å; K455-G457 PolarHBondContact O-N 3.17Å; K455-E460 VanDerWaalsContact CA-OE2 3.25Å; K455-E460 WeakPolarHBondContact CA-OE2 3.48Å
456	D	88.3	Confident	89.8	Confident	135 Å²	135	62.2 Å²	62.2	72%	0.722	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	7.1	-177.5	-49.9	-70.8	0	0	0	114.6	R454 E460 K461	R454-D456 PolarHBondContact O-N 3.2Å; D456-E460 PolarHBondContact N-OE2 3.25Å; D456-K461 WeakPolarHBondContact O-CE 3.47Å; D456-K461 PolarHBondContact O-NZ 3.38Å
457	G	88.8	Confident	90	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.01	32%	0.316	C	S	.	.	S	Bend	trans	-82.3	163.8	175.4	0	0	0	0	0	113	R454 K455 A459 E460 K461	R454-G457 PolarHBondContact O-N 3.32Å; K455-G457 PolarHBondContact O-N 3.17Å; G457-A459 VanDerWaalsContact C-N 3.29Å; G457-A459 PolarHBondContact O-N 3.08Å; G457-E460 PolarHBondContact O-N 3.08Å; G457-K461 PolarHBondContact O-N 2.94Å
458	N	90.6	Very high	90.5	Very high	32 Å²	32	56.9 Å²	56.9	17%	0.171	30%	0.301	C	S	.	.	H	α-helix	trans	-58.7	-33.9	-172.5	-77	4.2	0	0	0	114.6	V431 Q432 E460 K461 A462	V431-N458 HydrophobicContact CG1-CB 4.41Å; Q432-N458 VanDerWaalsContact O-CB 3.27Å; Q432-N458 WeakPolarHBondContact O-CB 3.25Å; Q432-N458 PolarHBondContact O-ND2 3.49Å; N458-E460 PolarHBondContact O-N 3.04Å; N458-K461 PolarHBondContact O-N 3.2Å; N458-K461 PolarHBondContact OD1-NZ 3.17Å; N458-A462 VanDerWaalsContact O-CB 3.31Å; N458-A462 WeakPolarHBondContact O-CB 3.45Å; N458-A462 PolarHBondContact O-N 2.85Å
459	A	91.6	Very high	90.7	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.2	-34	172.6	0	0	0	0	0	114.9	V431 Y438 F440 V453 G457 A462 G463 L464	V431-A459 HydrophobicContact CG1-CB 4.28Å; Y438-A459 WeakPolarHBondContact O-CB 3.26Å; Y438-A459 PolarHBondContact O-N 2.88Å; Y438-A459 VanDerWaalsContact O-N 3.16Å; F440-A459 HydrophobicContact CB-CB 3.76Å; F440-A459 HydrophobicContact CD1-CB 3.74Å; F440-A459 HydrophobicContact CG-CB 4.11Å; V453-A459 HydrophobicContact CG1-CB 3.88Å; G457-A459 VanDerWaalsContact C-N 3.29Å; G457-A459 PolarHBondContact O-N 3.08Å; A459-A462 CarbonylContact O-C 3.32Å; A459-A462 PolarHBondContact O-N 3.28Å; A459-G463 PolarHBondContact O-N 3.16Å; A459-L464 HydrophobicContact CB-CB 4.33Å; A459-L464 HydrophobicContact CB-CD1 3.81Å; A459-L464 WeakPolarHBondContact O-CB 3.32Å; A459-L464 PolarHBondContact O-N 2.76Å
460	E	91.7	Very high	90.8	Very high	91 Å²	91	57.7 Å²	57.7	43%	0.425	30%	0.302	S	S	.	.	H	α-helix	trans	-72	-38.6	175.8	-168.6	170.8	-136.9	0	0	110.6	V453 K455 D456 G457 N458 A462 G463	V453-E460 HydrophobicContact CG1-CB 3.82Å; K455-E460 VanDerWaalsContact CA-OE2 3.25Å; K455-E460 WeakPolarHBondContact CA-OE2 3.48Å; D456-E460 PolarHBondContact N-OE2 3.25Å; G457-E460 PolarHBondContact O-N 3.08Å; N458-E460 PolarHBondContact O-N 3.04Å; E460-A462 VanDerWaalsContact C-N 3.33Å; E460-A462 PolarHBondContact O-N 2.7Å; E460-G463 PolarHBondContact O-N 3.32Å
461	K	89.9	Confident	90.8	Very high	149 Å²	149	57.8 Å²	57.8	65%	0.648	30%	0.303	S	S	*	.	H	α-helix	trans	-60.6	-42	172	-58.6	174.2	-165	157.6	0	111.5	D456 G457 N458 G463	D456-K461 WeakPolarHBondContact O-CE 3.47Å; D456-K461 PolarHBondContact O-NZ 3.38Å; G457-K461 PolarHBondContact O-N 2.94Å; N458-K461 PolarHBondContact O-N 3.2Å; N458-K461 PolarHBondContact OD1-NZ 3.17Å; K461-G463 PolarHBondContact O-N 3.48Å
462	A	89.9	Confident	90.9	Very high	22 Å²	22	54.7 Å²	54.7	18%	0.182	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	6.2	172.6	0	0	0	0	0	114.1	T429 I430 V431 N458 A459 E460 L464	T429-A462 PolarHBondContact OG1-O 3.36Å; I430-A462 VanDerWaalsContact O-CB 3.26Å; I430-A462 WeakPolarHBondContact O-CB 3.43Å; V431-A462 HydrophobicContact CG2-CB 4.07Å; N458-A462 VanDerWaalsContact O-CB 3.31Å; N458-A462 WeakPolarHBondContact O-CB 3.45Å; N458-A462 PolarHBondContact O-N 2.85Å; A459-A462 CarbonylContact O-C 3.32Å; A459-A462 PolarHBondContact O-N 3.28Å; E460-A462 VanDerWaalsContact C-N 3.33Å; E460-A462 PolarHBondContact O-N 2.7Å; A462-L464 VanDerWaalsContact C-N 3.33Å; A462-L464 HydrophobicContact CB-CD1 4.27Å; A462-L464 PolarHBondContact O-N 2.73Å
463	G	89.8	Confident	90.9	Very high	31 Å²	31	50.9 Å²	50.9	32%	0.32	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	12.6	171.1	0	0	0	0	0	116.2	A459 E460 K461 R502	A459-G463 PolarHBondContact O-N 3.16Å; E460-G463 PolarHBondContact O-N 3.32Å; K461-G463 PolarHBondContact O-N 3.48Å; G463-R502 PolarHBondContact O-NH2 3.18Å
464	L	92.3	Very high	90.8	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	27%	0.27	C	S	.	.			trans	-67.7	148.4	170.7	-76.8	123.7	0	0	0	111.3	T429 V431 V450 V453 A459 A462 L498 L500	T429-L464 HydrophobicContact CG2-CD1 4.04Å; T429-L464 HydrophobicContact CG2-CG 4.19Å; V431-L464 HydrophobicContact CG2-CD1 3.34Å; V450-L464 HydrophobicContact CG2-CD2 3.68Å; V453-L464 HydrophobicContact CG2-CB 4.39Å; A459-L464 HydrophobicContact CB-CB 4.33Å; A459-L464 HydrophobicContact CB-CD1 3.81Å; A459-L464 WeakPolarHBondContact O-CB 3.32Å; A459-L464 PolarHBondContact O-N 2.76Å; A462-L464 VanDerWaalsContact C-N 3.33Å; A462-L464 HydrophobicContact CB-CD1 4.27Å; A462-L464 PolarHBondContact O-N 2.73Å; L464-L498 HydrophobicContact CD1-CD1 4.31Å; L464-L498 HydrophobicContact CD2-CD1 3.96Å; L464-L500 HydrophobicContact CD2-CD1 3.46Å; L464-L500 VanDerWaalsContact CD2-CD1 3.46Å; L464-L500 HydrophobicContact CD2-CD2 3.95Å; L464-L500 HydrophobicContact CD2-CG 4.36Å; L464-L500 HydrophobicContact CG-CD1 3.76Å
465	K	90.9	Very high	90.5	Very high	128 Å²	128	49.3 Å²	49.3	56%	0.557	28%	0.279	S	S	*	.			trans	-135.7	151.4	176	-64.2	-175.7	-178.4	-173.9	0	110.5	G467 D468	K465-G467 PolarHBondContact O-N 3.43Å; K465-D468 PolarHBondContact N-OD2 2.95Å; K465-D468 WeakPolarHBondContact O-CB 3.32Å; K465-D468 PolarHBondContact O-N 2.91Å
466	A	91.2	Very high	90.5	Very high	55 Å²	55	45.7 Å²	45.7	46%	0.455	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	132.4	169.5	0	0	0	0	0	109.9	V450	V450-A466 WeakPolarHBondContact O-CA 3.11Å
467	G	88.2	Confident	90.6	Very high	46 Å²	46	44 Å²	44	47%	0.474	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	95	-6.2	-174.6	0	0	0	0	0	115.9	V450 K465	V450-G467 PolarHBondContact O-N 2.81Å; K465-G467 PolarHBondContact O-N 3.43Å
468	D	93.2	Very high	90.4	Very high	3 Å²	3	44 Å²	44	2%	0.016	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	130	170.4	-68	-29.4	0	0	0	110.3	S449 V450 K465 L500 R502	S449-D468 CarbonylContact C-O 3.52Å; S449-D468 WeakPolarHBondContact CA-O 3.16Å; V450-D468 HydrophobicContact CB-CB 4.46Å; V450-D468 HydrophobicContact CG2-CB 4.17Å; V450-D468 PolarHBondContact N-O 3.12Å; K465-D468 PolarHBondContact N-OD2 2.95Å; K465-D468 WeakPolarHBondContact O-CB 3.32Å; K465-D468 PolarHBondContact O-N 2.91Å; D468-L500 HydrophobicContact CB-CD2 4.4Å; D468-R502 WeakPolarHBondContact OD1-CB 3.45Å; D468-R502 WeakPolarHBondContact OD1-CG 3.41Å; D468-R502 IonicContact OD1-CZ 2.79Å; D468-R502 IonicContact OD1-NE 3.38Å; D468-R502 PolarHBondContact OD1-NE 3.01Å; D468-R502 IonicContact OD1-NH2 3.77Å; D468-R502 PolarHBondContact OD1-NH2 2.75Å; D468-R502 IonicContact OD2-CZ 3.73Å; D468-R502 IonicContact OD2-NE 3.74Å; D468-R502 IonicContact OD2-NH2 2.8Å; D468-R502 PolarHBondContact OD2-NH2 3.38Å
469	Q	92.8	Very high	90.1	Very high	45 Å²	45	44.7 Å²	44.7	21%	0.21	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	144.3	172.4	-69.2	-178.7	-39.9	0	0	110.5	L500 R501 L503	Q469-L500 CarbonylContact O-C 3.56Å; Q469-L500 VanDerWaalsContact O-CA 3.25Å; Q469-L500 WeakPolarHBondContact O-CA 3.21Å; Q469-R501 HydrophobicContact CB-CB 4.23Å; Q469-R501 PolarHBondContact N-O 3.41Å; Q469-R501 PolarHBondContact O-N 3.06Å; Q469-L503 HydrophobicContact CG-CD1 4.28Å
470	I	93.3	Very high	89.7	Confident	2 Å²	2	50 Å²	50	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	126.4	174.4	-55	-176.7	0	0	0	108.7	V442 V448 V473 A478 V486 I490 L498 L500	V442-I470 HydrophobicContact CG1-CD1 3.53Å; V448-I470 PolarHBondContact O-N 2.6Å; I470-V473 HydrophobicContact CG2-CG2 3.66Å; I470-A478 HydrophobicContact CG2-CB 4.07Å; I470-V486 HydrophobicContact CD1-CG1 4.44Å; I470-I490 HydrophobicContact CD1-CD1 4.1Å; I470-L498 HydrophobicContact CG2-CD2 4.33Å; I470-L500 HydrophobicContact CG1-CD2 3.91Å
471	I	92.7	Very high	89.4	Confident	5 Å²	5	47.4 Å²	47.4	3%	0.026	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-44.9	177.1	-37.3	-179.3	0	0	0	110.3	E426 L477 A478 I479 R499 R501	E426-I471 HydrophobicContact CB-CD1 4.21Å; E426-I471 HydrophobicContact CG-CD1 3.68Å; E426-I471 WeakPolarHBondContact OE1-CD1 3.25Å; E426-I471 WeakPolarHBondContact OE2-CD1 3.31Å; I471-L477 HydrophobicContact CG2-CD2 4.39Å; I471-A478 PolarHBondContact O-N 3.44Å; I471-I479 HydrophobicContact CG2-CD1 3.69Å; I471-I479 HydrophobicContact CG2-CG1 3.76Å; I471-I479 PolarHBondContact O-N 3.38Å; I471-R499 HydrophobicContact CB-CB 4.33Å; I471-R499 HydrophobicContact CB-CG 4.37Å; I471-R499 HydrophobicContact CD1-CG 3.99Å; I471-R499 HydrophobicContact CG1-CG 4.49Å; I471-R499 WeakPolarHBondContact CG1-O 3.38Å; I471-R499 PolarHBondContact N-O 2.91Å; I471-R501 HydrophobicContact CD1-CB 3.65Å; I471-R501 HydrophobicContact CG1-CB 3.72Å
472	E	92.4	Very high	89.2	Confident	37 Å²	37	43.4 Å²	43.4	17%	0.173	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	144.2	-178.6	-59.6	158.8	-162.5	0	0	110	I476 L477 L498 R499	E472-I476 CarbonylContact C-O 3.47Å; E472-I476 WeakPolarHBondContact CA-O 3.47Å; E472-I476 WeakPolarHBondContact CB-O 3.43Å; E472-L477 HydrophobicContact CG-CD2 3.77Å; E472-L477 HydrophobicContact CG-CG 4.32Å; E472-L498 WeakPolarHBondContact O-CA 3.1Å; E472-R499 HydrophobicContact CB-CB 3.76Å; E472-R499 HydrophobicContact CG-CB 4.1Å; E472-R499 PolarHBondContact N-O 3.35Å; E472-R499 PolarHBondContact O-N 3.25Å; E472-R499 WeakPolarHBondContact OE1-CD 3.33Å; E472-R499 IonicContact OE1-CZ 2.6Å; E472-R499 IonicContact OE1-NE 3.75Å; E472-R499 IonicContact OE1-NH1 2.76Å; E472-R499 PolarHBondContact OE1-NH1 3.28Å; E472-R499 VanDerWaalsContact OE2-CD 3.28Å; E472-R499 WeakPolarHBondContact OE2-CD 3.48Å
473	V	91.6	Very high	89.1	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122.5	169	-177.8	0	0	0	0	108.2	I470 G475 I476 A478 V486 Q489 I490 V496 L498	I470-V473 HydrophobicContact CG2-CG2 3.66Å; V473-G475 PolarHBondContact O-N 3.36Å; V473-I476 PolarHBondContact N-O 3.22Å; V473-I476 PolarHBondContact O-N 2.96Å; V473-A478 HydrophobicContact CG2-CB 3.97Å; V473-V486 HydrophobicContact CG2-CG1 4.14Å; V473-Q489 HydrophobicContact CB-CB 4.25Å; V473-Q489 HydrophobicContact CG1-CB 3.81Å; V473-I490 HydrophobicContact CG1-CG1 3.86Å; V473-I490 HydrophobicContact CG2-CG1 4.14Å; V473-V496 HydrophobicContact CG1-CG1 3.92Å; V473-L498 HydrophobicContact CB-CD2 4.38Å; V473-L498 HydrophobicContact CG1-CD2 4.23Å; V473-L498 HydrophobicContact CG2-CD2 3.84Å
474	N	90.3	Very high	89.1	Confident	32 Å²	32	51 Å²	51	17%	0.171	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	23.1	179.4	-61.6	-31.2	0	0	0	114.9	Q489 V496 S497	N474-Q489 PolarHBondContact ND2-O 2.89Å; N474-V496 WeakPolarHBondContact OD1-CA 3.47Å; N474-S497 PolarHBondContact N-O 3.11Å; N474-S497 PolarHBondContact OD1-N 3.04Å
475	G	84.5	Confident	88.9	Confident	53 Å²	53	53.4 Å²	53.4	55%	0.546	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.9	-6.8	-177	0	0	0	0	0	115.1	V473	V473-G475 PolarHBondContact O-N 3.36Å
476	I	87.8	Confident	88.8	Confident	89 Å²	89	47.3 Å²	47.3	46%	0.456	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	132.4	175.6	-53.2	171.3	0	0	0	108.9	E472 V473 A478 L481 Q489	E472-I476 CarbonylContact C-O 3.47Å; E472-I476 WeakPolarHBondContact CA-O 3.47Å; E472-I476 WeakPolarHBondContact CB-O 3.43Å; V473-I476 PolarHBondContact N-O 3.22Å; V473-I476 PolarHBondContact O-N 2.96Å; I476-A478 PolarHBondContact O-N 3.11Å; I476-L481 HydrophobicContact CG2-CD1 4.27Å; I476-Q489 HydrophobicContact CD1-CG 4.43Å
477	L	88.7	Confident	88.8	Confident	100 Å²	100	45.9 Å²	45.9	52%	0.524	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	121.1	176.3	-79.1	163.5	0	0	0	110.8	I471 E472 I479 L481	I471-L477 HydrophobicContact CG2-CD2 4.39Å; E472-L477 HydrophobicContact CG-CD2 3.77Å; E472-L477 HydrophobicContact CG-CG 4.32Å; L477-I479 HydrophobicContact CD2-CD1 4.2Å; L477-I479 HydrophobicContact CD2-CG1 4.46Å; L477-L481 WeakPolarHBondContact O-CD1 3.38Å; L477-L481 WeakPolarHBondContact O-CG 3.38Å
478	A	85.1	Confident	88.9	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.267	C	S	.	.			trans	-108.4	3.8	-175.7	0	0	0	0	0	113.4	I470 I471 V473 I476 D480 L481 V486	I470-A478 HydrophobicContact CG2-CB 4.07Å; I471-A478 PolarHBondContact O-N 3.44Å; V473-A478 HydrophobicContact CG2-CB 3.97Å; I476-A478 PolarHBondContact O-N 3.11Å; A478-D480 VanDerWaalsContact C-N 3.26Å; A478-D480 PolarHBondContact O-N 3.25Å; A478-L481 HydrophobicContact CB-CD1 4.46Å; A478-V486 HydrophobicContact CB-CG2 3.84Å
479	I	83.8	Confident	88.6	Confident	47 Å²	47	52.1 Å²	52.1	24%	0.241	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-42.8	174.4	-50.4	177.2	0	0	0	110.1	K446 I471 L477	K446-I479 VanDerWaalsContact CA-O 3.26Å; K446-I479 WeakPolarHBondContact CA-O 3.27Å; I471-I479 HydrophobicContact CG2-CD1 3.69Å; I471-I479 HydrophobicContact CG2-CG1 3.76Å; I471-I479 PolarHBondContact O-N 3.38Å; L477-I479 HydrophobicContact CD2-CD1 4.2Å; L477-I479 HydrophobicContact CD2-CG1 4.46Å
480	D	84.2	Confident	88.5	Confident	110 Å²	110	50.4 Å²	50.4	59%	0.588	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	17.5	-170.3	-53.6	-62.2	0	0	0	113	K446 A478	K446-D480 VanDerWaalsContact CD-O 3.32Å; K446-D480 WeakPolarHBondContact CD-O 3.36Å; K446-D480 WeakPolarHBondContact CE-O 3.42Å; K446-D480 PolarHBondContact NZ-O 3.02Å; A478-D480 VanDerWaalsContact C-N 3.26Å; A478-D480 PolarHBondContact O-N 3.25Å
481	L	85	Confident	88.3	Confident	38 Å²	38	58.5 Å²	58.5	20%	0.199	30%	0.297	C	S	.	.	S	Bend	trans	-99.5	150.1	174.5	-66.2	-178.7	0	0	0	111.7	K446 I476 L477 A478 D485 V486 Q489	K446-L481 WeakPolarHBondContact CG-O 3.33Å; I476-L481 HydrophobicContact CG2-CD1 4.27Å; L477-L481 WeakPolarHBondContact O-CD1 3.38Å; L477-L481 WeakPolarHBondContact O-CG 3.38Å; A478-L481 HydrophobicContact CB-CD1 4.46Å; L481-D485 HydrophobicContact CB-CB 4.39Å; L481-V486 HydrophobicContact CB-CG2 3.54Å; L481-V486 HydrophobicContact CD1-CG2 4.29Å; L481-Q489 VanDerWaalsContact CD1-NE2 3.29Å
482	N	86.1	Confident	88	Confident	64 Å²	64	61.9 Å²	61.9	34%	0.342	32%	0.321	S	S	.	.			trans	-70.2	160.8	173.4	-69.8	-34.2	0	0	0	110.8	K446 E484 D485 V486	K446-N482 WeakPolarHBondContact CE-OD1 2.99Å; N482-E484 PolarHBondContact O-N 3.25Å; N482-D485 WeakPolarHBondContact CB-OD2 3.27Å; N482-D485 PolarHBondContact N-OD2 2.8Å; N482-D485 PolarHBondContact O-N 3.42Å; N482-V486 WeakPolarHBondContact O-CB 3.5Å; N482-V486 WeakPolarHBondContact O-CG2 3.29Å; N482-V486 PolarHBondContact O-N 3.46Å
483	H	88	Confident	87.7	Confident	61 Å²	61	67.3 Å²	67.3	28%	0.282	34%	0.34	S	S	.	.	H	α-helix	trans	-54.6	-34.6	175.9	-178.7	69.7	0	0	0	112.7	V442 N445 V487	V442-H483 PolarHBondContact O-CE1 3.2Å; N445-H483 WeakPolarHBondContact OD1-CB 3.45Å; N445-H483 PolarHBondContact OD1-N 2.95Å; H483-V487 VanDerWaalsContact O-CB 3.23Å; H483-V487 WeakPolarHBondContact O-CB 3.32Å; H483-V487 WeakPolarHBondContact O-CG2 3.41Å; H483-V487 PolarHBondContact O-N 3.36Å
484	E	89.1	Confident	87.5	Confident	152 Å²	152	73.3 Å²	73.3	71%	0.71	37%	0.372	S	S	*	.	H	α-helix	trans	-71.1	-54.5	-178.5	-67.3	174.9	167.5	0	0	110.9	N482 V486 V487 E488	N482-E484 PolarHBondContact O-N 3.25Å; E484-V486 VanDerWaalsContact C-N 3.28Å; E484-V486 PolarHBondContact O-N 3.14Å; E484-V487 CarbonylContact O-C 3.57Å; E484-V487 PolarHBondContact O-N 2.98Å; E484-E488 PolarHBondContact O-N 2.99Å
485	D	88.5	Confident	87.5	Confident	55 Å²	55	75.2 Å²	75.2	29%	0.294	38%	0.38	S	S	.	.	H	α-helix	trans	-55.5	-41.2	174.7	-10.4	-37.6	0	0	0	111.9	L481 N482 E488 Q489	L481-D485 HydrophobicContact CB-CB 4.39Å; N482-D485 WeakPolarHBondContact CB-OD2 3.27Å; N482-D485 PolarHBondContact N-OD2 2.8Å; N482-D485 PolarHBondContact O-N 3.42Å; D485-E488 PolarHBondContact O-N 2.79Å; D485-Q489 WeakPolarHBondContact O-CB 2.99Å; D485-Q489 WeakPolarHBondContact O-CG 3.42Å; D485-Q489 PolarHBondContact O-N 3.09Å
486	V	89.2	Confident	87.8	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-67.9	-39.7	176.7	172	0	0	0	0	111.8	V448 I470 V473 A478 L481 N482 E484 E488 I490	V448-V486 HydrophobicContact CB-CG1 4.14Å; V448-V486 HydrophobicContact CG1-CG1 4.04Å; V448-V486 HydrophobicContact CG2-CB 3.97Å; V448-V486 HydrophobicContact CG2-CG1 4.08Å; V448-V486 HydrophobicContact CG2-CG2 3.76Å; I470-V486 HydrophobicContact CD1-CG1 4.44Å; V473-V486 HydrophobicContact CG2-CG1 4.14Å; A478-V486 HydrophobicContact CB-CG2 3.84Å; L481-V486 HydrophobicContact CB-CG2 3.54Å; L481-V486 HydrophobicContact CD1-CG2 4.29Å; N482-V486 WeakPolarHBondContact O-CB 3.5Å; N482-V486 WeakPolarHBondContact O-CG2 3.29Å; N482-V486 PolarHBondContact O-N 3.46Å; E484-V486 VanDerWaalsContact C-N 3.28Å; E484-V486 PolarHBondContact O-N 3.14Å; V486-E488 VanDerWaalsContact C-N 3.34Å; V486-I490 HydrophobicContact CG1-CD1 3.9Å; V486-I490 WeakPolarHBondContact O-CB 3.47Å; V486-I490 WeakPolarHBondContact O-CD1 3.43Å; V486-I490 WeakPolarHBondContact O-CG1 3.41Å; V486-I490 PolarHBondContact O-N 3.38Å
487	V	90.7	Very high	88	Confident	24 Å²	24	69.2 Å²	69.2	15%	0.145	34%	0.338	C	S	.	.	H	α-helix	trans	-67.7	-35.1	175	163	0	0	0	0	111.3	V442 H483 E484 R491	V442-V487 HydrophobicContact CG2-CG2 3.63Å; H483-V487 VanDerWaalsContact O-CB 3.23Å; H483-V487 WeakPolarHBondContact O-CB 3.32Å; H483-V487 WeakPolarHBondContact O-CG2 3.41Å; H483-V487 PolarHBondContact O-N 3.36Å; E484-V487 CarbonylContact O-C 3.57Å; E484-V487 PolarHBondContact O-N 2.98Å; V487-R491 HydrophobicContact CG1-CG 4.49Å; V487-R491 WeakPolarHBondContact O-CB 3.44Å; V487-R491 WeakPolarHBondContact O-CD 3.29Å; V487-R491 WeakPolarHBondContact O-CG 3.25Å; V487-R491 PolarHBondContact O-N 2.71Å
488	E	89.7	Confident	88.2	Confident	144 Å²	144	64.5 Å²	64.5	67%	0.673	31%	0.313	S	S	*	.	H	α-helix	trans	-68.9	-46.4	174.6	-174.5	156.9	-130	0	0	111.9	E484 D485 V486 I490 R491 S492	E484-E488 PolarHBondContact O-N 2.99Å; D485-E488 PolarHBondContact O-N 2.79Å; V486-E488 VanDerWaalsContact C-N 3.34Å; E488-I490 VanDerWaalsContact C-N 3.29Å; E488-I490 PolarHBondContact O-N 3.36Å; E488-R491 CarbonylContact O-C 3.53Å; E488-R491 WeakPolarHBondContact O-CA 3.45Å; E488-R491 PolarHBondContact O-N 2.89Å; E488-S492 WeakPolarHBondContact O-CB 3.41Å; E488-S492 PolarHBondContact O-N 3.01Å
489	Q	88.3	Confident	88.6	Confident	37 Å²	37	68.8 Å²	68.8	17%	0.173	33%	0.329	C	S	.	.	H	α-helix	trans	-59.8	-37.8	173.1	-73	179.5	10.5	0	0	112.2	V473 N474 I476 L481 D485 S492	V473-Q489 HydrophobicContact CB-CB 4.25Å; V473-Q489 HydrophobicContact CG1-CB 3.81Å; N474-Q489 PolarHBondContact ND2-O 2.89Å; I476-Q489 HydrophobicContact CD1-CG 4.43Å; L481-Q489 VanDerWaalsContact CD1-NE2 3.29Å; D485-Q489 WeakPolarHBondContact O-CB 2.99Å; D485-Q489 WeakPolarHBondContact O-CG 3.42Å; D485-Q489 PolarHBondContact O-N 3.09Å; Q489-S492 PolarHBondContact O-N 3.37Å; Q489-S492 PolarHBondContact O-OG 3.2Å
490	I	90.9	Very high	89.1	Confident	9 Å²	9	66.5 Å²	66.5	5%	0.046	32%	0.318	C	S	.	.	H	α-helix	trans	-66.4	-39.7	172.4	-69.8	165.9	0	0	0	110.9	Y438 F440 I470 V473 V486 E488 S492 V496 L498	Y438-I490 HydrophobicContact CD2-CG2 3.99Å; Y438-I490 HydrophobicContact CE2-CG2 4Å; Y438-I490 VanDerWaalsContact CZ-O 3.3Å; Y438-I490 PolarHBondContact OH-O 3.39Å; Y438-I490 VanDerWaalsContact OH-O 3.04Å; F440-I490 HydrophobicContact CE2-CD1 4.35Å; F440-I490 HydrophobicContact CZ-CD1 4.17Å; F440-I490 HydrophobicContact CZ-CG2 4.21Å; I470-I490 HydrophobicContact CD1-CD1 4.1Å; V473-I490 HydrophobicContact CG1-CG1 3.86Å; V473-I490 HydrophobicContact CG2-CG1 4.14Å; V486-I490 HydrophobicContact CG1-CD1 3.9Å; V486-I490 WeakPolarHBondContact O-CB 3.47Å; V486-I490 WeakPolarHBondContact O-CD1 3.43Å; V486-I490 WeakPolarHBondContact O-CG1 3.41Å; V486-I490 PolarHBondContact O-N 3.38Å; E488-I490 VanDerWaalsContact C-N 3.29Å; E488-I490 PolarHBondContact O-N 3.36Å; I490-S492 VanDerWaalsContact C-N 3.33Å; I490-S492 PolarHBondContact O-N 2.81Å; I490-V496 HydrophobicContact CG1-CG1 4.26Å; I490-V496 HydrophobicContact CG2-CG2 4.33Å; I490-V496 WeakPolarHBondContact O-CG2 3.17Å; I490-L498 HydrophobicContact CG1-CD2 4.37Å
491	R	88.3	Confident	89.4	Confident	171 Å²	171	64.9 Å²	64.9	65%	0.645	30%	0.303	S	S	*	.	H	α-helix	trans	-72.3	-23.3	178.3	-74.9	167.3	-179.3	176.6	4	113.9	V487 E488 R493	V487-R491 HydrophobicContact CG1-CG 4.49Å; V487-R491 WeakPolarHBondContact O-CB 3.44Å; V487-R491 WeakPolarHBondContact O-CD 3.29Å; V487-R491 WeakPolarHBondContact O-CG 3.25Å; V487-R491 PolarHBondContact O-N 2.71Å; E488-R491 CarbonylContact O-C 3.53Å; E488-R491 WeakPolarHBondContact O-CA 3.45Å; E488-R491 PolarHBondContact O-N 2.89Å; R491-R493 PolarHBondContact O-N 2.63Å
492	S	86.9	Confident	89.7	Confident	77 Å²	77	66 Å²	66	54%	0.538	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.5	-171.6	70.9	0	0	0	0	115.4	E488 Q489 I490	E488-S492 WeakPolarHBondContact O-CB 3.41Å; E488-S492 PolarHBondContact O-N 3.01Å; Q489-S492 PolarHBondContact O-N 3.37Å; Q489-S492 PolarHBondContact O-OG 3.2Å; I490-S492 VanDerWaalsContact C-N 3.33Å; I490-S492 PolarHBondContact O-N 2.81Å
493	R	86	Confident	89	Confident	151 Å²	151	65.9 Å²	65.9	57%	0.57	30%	0.304	S	S	*	.			trans	-136.9	144.4	-177.8	-62.7	-174	-175.6	-166.1	-0.2	112.1	Y438 R491 Q495	Y438-R493 PolarHBondContact OH-O 2.84Å; R491-R493 PolarHBondContact O-N 2.63Å; R493-Q495 WeakPolarHBondContact CB-O 3.44Å; R493-Q495 PolarHBondContact O-N 2.9Å
494	N	87	Confident	87	Confident	126 Å²	126	66.8 Å²	66.8	67%	0.674	31%	0.305	S	S	*	.	S	Bend	trans	-67.7	-22	174.4	-73	-23.2	0	0	0	113.1	R433	R433-N494 VanDerWaalsContact CB-O 3.24Å; R433-N494 WeakPolarHBondContact CB-O 3.38Å; R433-N494 PolarHBondContact N-O 3.01Å
495	Q	89	Confident	84.6	Confident	72 Å²	72	68 Å²	68	34%	0.336	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.5	170.9	-172.9	-172.3	66.2	0	0	108.3	I430 Q432 R493	I430-Q495 HydrophobicContact CG2-CG 3.33Å; Q432-Q495 HydrophobicContact CG-CG 4.34Å; R493-Q495 WeakPolarHBondContact CB-O 3.44Å; R493-Q495 PolarHBondContact O-N 2.9Å
496	V	91.5	Very high	81.8	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122	-175.1	-177.5	0	0	0	0	109.9	I430 V431 Y438 V473 N474 I490 L498	I430-V496 CarbonylContact C-O 3.59Å; I430-V496 WeakPolarHBondContact CA-O 3.34Å; V431-V496 PolarHBondContact N-O 2.84Å; V431-V496 PolarHBondContact O-N 2.88Å; Y438-V496 HydrophobicContact CD1-CG2 4.03Å; Y438-V496 HydrophobicContact CE1-CB 4.45Å; Y438-V496 HydrophobicContact CE1-CG2 3.44Å; Y438-V496 VanDerWaalsContact CE1-CG2 3.44Å; V473-V496 HydrophobicContact CG1-CG1 3.92Å; N474-V496 WeakPolarHBondContact OD1-CA 3.47Å; I490-V496 HydrophobicContact CG1-CG1 4.26Å; I490-V496 HydrophobicContact CG2-CG2 4.33Å; I490-V496 WeakPolarHBondContact O-CG2 3.17Å; V496-L498 HydrophobicContact CG1-CD2 3.66Å; V496-L498 HydrophobicContact CG1-CG 4Å
497	S	92.4	Very high	79.1	Confident	16 Å²	16	76 Å²	76	11%	0.112	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	118.2	175	-161.6	0	0	0	0	109.5	R428 T429 N474	R428-S497 PolarHBondContact NE-OG 2.99Å; R428-S497 PolarHBondContact NH2-OG 2.87Å; T429-S497 CarbonylContact O-C 3.59Å; T429-S497 WeakPolarHBondContact O-CA 3.36Å; N474-S497 PolarHBondContact N-O 3.11Å; N474-S497 PolarHBondContact OD1-N 3.04Å
498	L	93.2	Very high	76	Confident	0 Å²	0	80.7 Å²	80.7	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.6	-177.8	-61.6	175.5	0	0	0	110.1	R428 T429 V431 F440 L464 I470 E472 V473 I490 V496 L500	R428-L498 CarbonylContact C-O 3.43Å; R428-L498 WeakPolarHBondContact CA-O 3.06Å; T429-L498 HydrophobicContact CG2-CB 4.2Å; T429-L498 PolarHBondContact N-O 3.3Å; T429-L498 PolarHBondContact O-N 3.15Å; V431-L498 HydrophobicContact CG2-CD1 4.09Å; F440-L498 HydrophobicContact CE1-CD1 4.35Å; F440-L498 HydrophobicContact CE2-CD1 4.38Å; F440-L498 HydrophobicContact CZ-CD1 3.8Å; L464-L498 HydrophobicContact CD1-CD1 4.31Å; L464-L498 HydrophobicContact CD2-CD1 3.96Å; I470-L498 HydrophobicContact CG2-CD2 4.33Å; E472-L498 WeakPolarHBondContact O-CA 3.1Å; V473-L498 HydrophobicContact CB-CD2 4.38Å; V473-L498 HydrophobicContact CG1-CD2 4.23Å; V473-L498 HydrophobicContact CG2-CD2 3.84Å; I490-L498 HydrophobicContact CG1-CD2 4.37Å; V496-L498 HydrophobicContact CG1-CD2 3.66Å; V496-L498 HydrophobicContact CG1-CG 4Å; L498-L500 HydrophobicContact CB-CD1 4.44Å; L498-L500 HydrophobicContact CB-CD2 4.12Å; L498-L500 HydrophobicContact CB-CG 4.06Å
499	R	93	Very high	73.2	Confident	90 Å²	90	79.2 Å²	79.2	34%	0.34	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	124.7	161.3	-166.3	-172.6	171.5	162.1	-5.4	108	E426 I471 E472	E426-R499 IonicContact OE2-CZ 3.48Å; E426-R499 IonicContact OE2-NE 3.64Å; E426-R499 PolarHBondContact OE2-NE 3.27Å; E426-R499 IonicContact OE2-NH2 2.71Å; E426-R499 PolarHBondContact OE2-NH2 2.73Å; I471-R499 HydrophobicContact CB-CB 4.33Å; I471-R499 HydrophobicContact CB-CG 4.37Å; I471-R499 HydrophobicContact CD1-CG 3.99Å; I471-R499 HydrophobicContact CG1-CG 4.49Å; I471-R499 WeakPolarHBondContact CG1-O 3.38Å; I471-R499 PolarHBondContact N-O 2.91Å; E472-R499 HydrophobicContact CB-CB 3.76Å; E472-R499 HydrophobicContact CG-CB 4.1Å; E472-R499 PolarHBondContact N-O 3.35Å; E472-R499 PolarHBondContact O-N 3.25Å; E472-R499 WeakPolarHBondContact OE1-CD 3.33Å; E472-R499 IonicContact OE1-CZ 2.6Å; E472-R499 IonicContact OE1-NE 3.75Å; E472-R499 IonicContact OE1-NH1 2.76Å; E472-R499 PolarHBondContact OE1-NH1 3.28Å; E472-R499 VanDerWaalsContact OE2-CD 3.28Å; E472-R499 WeakPolarHBondContact OE2-CD 3.48Å
500	L	93.7	Very high	70.2	Confident	0 Å²	0	80.5 Å²	80.5	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	136.7	-168.4	-64.1	168.6	0	0	0	110.9	E426 F427 T429 L464 D468 Q469 I470 L498	E426-L500 VanDerWaalsContact CA-O 3.26Å; E426-L500 WeakPolarHBondContact CA-O 2.82Å; F427-L500 HydrophobicContact CD1-CB 4.18Å; F427-L500 HydrophobicContact CE1-CB 3.7Å; F427-L500 HydrophobicContact CE1-CD1 4.23Å; F427-L500 HydrophobicContact CE2-CB 4.44Å; F427-L500 HydrophobicContact CE2-CD1 3.74Å; F427-L500 HydrophobicContact CZ-CB 3.85Å; F427-L500 HydrophobicContact CZ-CD1 3.48Å; F427-L500 VanDerWaalsContact CZ-CD1 3.48Å; F427-L500 HydrophobicContact CZ-CG 4.32Å; F427-L500 PolarHBondContact N-O 2.9Å; F427-L500 PolarHBondContact O-N 2.8Å; T429-L500 HydrophobicContact CG2-CD1 3.54Å; T429-L500 HydrophobicContact CG2-CG 4.49Å; L464-L500 HydrophobicContact CD2-CD1 3.46Å; L464-L500 VanDerWaalsContact CD2-CD1 3.46Å; L464-L500 HydrophobicContact CD2-CD2 3.95Å; L464-L500 HydrophobicContact CD2-CG 4.36Å; L464-L500 HydrophobicContact CG-CD1 3.76Å; D468-L500 HydrophobicContact CB-CD2 4.4Å; Q469-L500 CarbonylContact O-C 3.56Å; Q469-L500 VanDerWaalsContact O-CA 3.25Å; Q469-L500 WeakPolarHBondContact O-CA 3.21Å; I470-L500 HydrophobicContact CG1-CD2 3.91Å; L498-L500 HydrophobicContact CB-CD1 4.44Å; L498-L500 HydrophobicContact CB-CD2 4.12Å; L498-L500 HydrophobicContact CB-CG 4.06Å
501	R	92.2	Very high	67.2	Low	75 Å²	75	86.5 Å²	86.5	28%	0.283	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	101.7	173.3	-174.2	174.9	-69.5	150.8	-1.1	109.4	A424 E426 Q469 I471 L503	A424-R501 HydrophobicContact CB-CG 3.47Å; A424-R501 VanDerWaalsContact CB-CG 3.47Å; E426-R501 HydrophobicContact CG-CB 4.45Å; E426-R501 HydrophobicContact CG-CG 4.34Å; E426-R501 IonicContact OE1-CZ 3.57Å; E426-R501 IonicContact OE1-NE 3.52Å; E426-R501 PolarHBondContact OE1-NE 3.34Å; E426-R501 IonicContact OE1-NH2 2.69Å; E426-R501 PolarHBondContact OE1-NH2 3.14Å; Q469-R501 HydrophobicContact CB-CB 4.23Å; Q469-R501 PolarHBondContact N-O 3.41Å; Q469-R501 PolarHBondContact O-N 3.06Å; I471-R501 HydrophobicContact CD1-CB 3.65Å; I471-R501 HydrophobicContact CG1-CB 3.72Å; R501-L503 HydrophobicContact CG-CD2 4.42Å; R501-L503 PolarHBondContact O-N 3.22Å; R501-L503 VanDerWaalsContact O-N 3.17Å
502	R	89.3	Confident	64.3	Low	62 Å²	62	84.2 Å²	84.2	23%	0.234	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	93.1	177.2	-176.1	164.5	-73.6	156.4	-4.5	110.6	L425 F427 G463 D468	L425-R502 HydrophobicContact CB-CB 4.33Å; L425-R502 PolarHBondContact N-O 3.1Å; L425-R502 PolarHBondContact O-N 3.42Å; F427-R502 HydrophobicContact CE1-CB 4.1Å; G463-R502 PolarHBondContact O-NH2 3.18Å; D468-R502 WeakPolarHBondContact OD1-CB 3.45Å; D468-R502 WeakPolarHBondContact OD1-CG 3.41Å; D468-R502 IonicContact OD1-CZ 2.79Å; D468-R502 IonicContact OD1-NE 3.38Å; D468-R502 PolarHBondContact OD1-NE 3.01Å; D468-R502 IonicContact OD1-NH2 3.77Å; D468-R502 PolarHBondContact OD1-NH2 2.75Å; D468-R502 IonicContact OD2-CZ 3.73Å; D468-R502 IonicContact OD2-NE 3.74Å; D468-R502 IonicContact OD2-NH2 2.8Å; D468-R502 PolarHBondContact OD2-NH2 3.38Å
503	L	72.2	Confident	61.3	Low	61 Å²	61	83.3 Å²	83.3	32%	0.319	44%	0.435	S	S	.	.			trans	-65.6	137.4	169.1	-64.6	-178.2	0	0	0	110.1	A424 Q469 R501 Y505	A424-L503 HydrophobicContact CB-CD2 3.93Å; Q469-L503 HydrophobicContact CG-CD1 4.28Å; R501-L503 HydrophobicContact CG-CD2 4.42Å; R501-L503 PolarHBondContact O-N 3.22Å; R501-L503 VanDerWaalsContact O-N 3.17Å; L503-Y505 VanDerWaalsContact C-N 3.34Å; L503-Y505 PolarHBondContact O-N 3.11Å
504	R	46.1	Very low	58.7	Low	80 Å²	80	87 Å²	87	30%	0.302	45%	0.451	S	S	.	.			trans	-82.9	76.8	179.9	-61.6	-171.1	-156.4	163.5	1.8	112.3	V423 P952 N953	V423-R504 PolarHBondContact O-NH2 2.86Å; R504-P952 PolarHBondContact NH1-O 3Å; R504-P952 PolarHBondContact NH2-O 3.39Å; R504-N953 PolarHBondContact NH1-O 3.16Å
505	Y	38.4	Very low	55.9	Low	178 Å²	178	92.2 Å²	92.2	70%	0.698	46%	0.461	S	S	*	.			trans	-90.8	139.3	157.6	-94.1	-88.6	0	0	0	110.9	L503 V507	L503-Y505 VanDerWaalsContact C-N 3.34Å; L503-Y505 PolarHBondContact O-N 3.11Å; Y505-V507 PolarHBondContact O-N 2.73Å
506	Q	30.3	Very low	52.9	Low	113 Å²	113	95.9 Å²	95.9	53%	0.528	49%	0.488	S	S	.	.			trans	-68.3	118.3	172.7	-68.6	177.8	49.6	0	0	109.1	V508 Y960	Q506-V508 PolarHBondContact O-N 3.49Å; Q506-V508 VanDerWaalsContact O-N 3.11Å; Q506-Y960 HydrophobicContact CG-CD2 4.27Å; Q506-Y960 HydrophobicContact CG-CE2 3.45Å; Q506-Y960 VanDerWaalsContact CG-CE2 3.45Å; Q506-Y960 VanDerWaalsContact NE2-CE1 3.33Å; Q506-Y960 VanDerWaalsContact NE2-CE2 3.3Å
507	V	32.4	Very low	49.8	Very low	111 Å²	111	99 Å²	99	67%	0.673	52%	0.52	S	S	*	.			trans	-72.3	103	169.9	172.1	0	0	0	0	108.6	Y505 D509	Y505-V507 PolarHBondContact O-N 2.73Å; V507-D509 VanDerWaalsContact C-N 3.26Å; V507-D509 HydrophobicContact CG1-CB 3.81Å; V507-D509 PolarHBondContact O-N 3.05Å; V507-D509 VanDerWaalsContact O-N 3.15Å
508	V	26.4	Very low	46.8	Very low	121 Å²	121	104 Å²	104	73%	0.733	56%	0.555	S	S	*	*			trans	-83.5	70.6	169.2	-175.3	0	0	0	0	108.8	Q506	Q506-V508 PolarHBondContact O-N 3.49Å; Q506-V508 VanDerWaalsContact O-N 3.11Å
509	D	28.9	Very low	43.5	Very low	113 Å²	113	112.1 Å²	112.1	60%	0.604	60%	0.595	S	S	*	*			trans	-110.2	81.6	170.1	-93.3	-58.6	0	0	0	111.8	V507 T512	V507-D509 VanDerWaalsContact C-N 3.26Å; V507-D509 HydrophobicContact CG1-CB 3.81Å; V507-D509 PolarHBondContact O-N 3.05Å; V507-D509 VanDerWaalsContact O-N 3.15Å; D509-T512 PolarHBondContact OD1-OG1 3.24Å
510	G	26.4	Very low	40.4	Very low	65 Å²	65	118.7 Å²	118.7	67%	0.67	62%	0.62	S	S	*	*	S	Bend	trans	-130.7	8.3	164	0	0	0	0	0	113.4
511	L	27.1	Very low	37.3	Very low	135 Å²	135	126 Å²	126	71%	0.707	66%	0.659	S	S	*	*			trans	-144.9	36	-166	-71.7	178.5	0	0	0	114.8
512	T	28.2	Very low	34.1	Very low	123 Å²	123	130 Å²	130	76%	0.755	69%	0.686	S	S	*	*			trans	-112.4	80	172.2	43.8	0	0	0	0	111.7	D509	D509-T512 PolarHBondContact OD1-OG1 3.24Å
513	G	23.6	Very low	31.1	Very low	58 Å²	58	133.9 Å²	133.9	60%	0.598	72%	0.716	S	S	*	*			trans	-164.2	118.8	174.3	0	0	0	0	0	111.2
514	Y	31.2	Very low	28.8	Very low	229 Å²	229	137 Å²	137	90%	0.898	74%	0.741	S	S	*	*	S	Bend	trans	65.8	121.7	-164.2	-52.1	-77.8	0	0	0	113.6
515	R	29.1	Very low	27.9	Very low	234 Å²	234	140.7 Å²	140.7	88%	0.883	77%	0.767	S	S	*	*			cis	-136.1	153	-1.8	-64.6	-173.2	175.9	-166.9	-1.6	110.8
516	V	24.6	Very low	27.3	Very low	149 Å²	149	142 Å²	142	90%	0.903	78%	0.779	S	S	*	*			trans	-70.1	132.5	153.4	174	0	0	0	0	107.8
517	G	26.7	Very low	27.2	Very low	67 Å²	67	140.4 Å²	140.4	69%	0.691	79%	0.786	S	S	*	*			trans	-169.3	96.3	179.2	0	0	0	0	0	110.8
518	S	29.5	Very low	27.2	Very low	121 Å²	121	138.6 Å²	138.6	85%	0.846	78%	0.776	S	S	*	*			trans	65.9	101.7	-177.4	-161.6	0	0	0	0	116.3
519	M	23.3	Very low	27.3	Very low	170 Å²	170	137.7 Å²	137.7	84%	0.837	77%	0.767	S	S	*	*			trans	-80.2	146.1	151.5	-61.1	-166.2	-59.3	0	0	109.4
520	R	28.2	Very low	27.4	Very low	228 Å²	228	137.1 Å²	137.1	86%	0.86	76%	0.763	S	S	*	*			trans	-171.9	131.2	130	-102.7	153.6	-173.4	158.1	1.4	112.9
521	N	28.9	Very low	27.5	Very low	152 Å²	152	137.7 Å²	137.7	81%	0.813	75%	0.745	S	S	*	*			trans	55.8	120.7	151.5	-59.4	14.8	0	0	0	121
522	L	24.4	Very low	28	Very low	161 Å²	161	136 Å²	136	84%	0.843	74%	0.744	S	S	*	*			trans	-74.8	163	151.4	-48.2	111.5	0	0	0	109.7
523	T	26.7	Very low	28.5	Very low	143 Å²	143	134.6 Å²	134.6	88%	0.877	73%	0.729	S	S	*	*				173.3	-175.8	124.1	32.6	0	0	0	0	111.6
524	C	24.4	Very low	29	Very low	125 Å²	125	135.6 Å²	135.6	85%	0.845	72%	0.718	S	S	*	*			trans	-65.9	171	-163.9	-48.7	0	0	0	0	115.9
525	N	26.3	Very low	28.9	Very low	159 Å²	159	131.7 Å²	131.7	85%	0.85	70%	0.702	S	S	*	*			trans	-103.4	145.7	172.6	-52.1	-79.9	0	0	0	111.5
526	E	27.3	Very low	28.9	Very low	204 Å²	204	126.9 Å²	126.9	95%	0.953	69%	0.689	S	S	*	*				-153.6	-179.6	126.5	-111	165.7	-164.1	0	0	110.3
527	A	27.3	Very low	29.2	Very low	81 Å²	81	127.1 Å²	127.1	67%	0.669	68%	0.68	S	S	*	*			trans	-136.5	-168.7	-155.4	0	0	0	0	0	113.1
528	P	32.9	Very low	29.2	Very low	72 Å²	72	134.3 Å²	134.3	47%	0.468	69%	0.688	S	S	.	*			cis	-106.4	-142.4	-11.5	19.4	6.5	0	0	0	111.5	S582 V583	P528-S582 VanDerWaalsContact C-N 3.32Å; P528-S582 CarbonylContact O-C 3.52Å; P528-S582 WeakPolarHBondContact O-CA 3.27Å; P528-S582 PolarHBondContact O-N 2.91Å; P528-V583 PolarHBondContact O-N 3.35Å
529	I	29	Very low	29	Very low	103 Å²	103	137.4 Å²	137.4	53%	0.528	69%	0.689	S	S	.	*			cis	-148.9	144.2	7.3	-57.8	166.7	0	0	0	110.3	L580 A581 S582	I529-L580 HydrophobicContact CG2-CD2 4.19Å; I529-A581 CarbonylContact O-C 3.58Å; I529-A581 PolarHBondContact O-N 2.89Å; I529-S582 PolarHBondContact O-N 3.42Å; I529-S582 VanDerWaalsContact O-N 3.13Å
530	L	30.7	Very low	29.4	Very low	101 Å²	101	139 Å²	139	53%	0.529	69%	0.692	S	S	.	*			trans	24.4	93.1	170.7	-55.2	171.2	0	0	0	120.9	P579 L580 A581	L530-P579 WeakPolarHBondContact CD2-O 3.26Å; L530-L580 HydrophobicContact CD2-CD2 3.77Å; L530-L580 HydrophobicContact CD2-CG 4.33Å; L530-L580 HydrophobicContact CG-CD2 3.94Å; L530-A581 CarbonylContact C-O 3.53Å
531	R	29.2	Very low	29.4	Very low	76 Å²	76	139 Å²	139	29%	0.287	69%	0.692	S	S	.	*				34.1	142.4	76.5	-113.3	-175	-178.8	133.7	-32.2	118.1	Q533 R535 P579 L580 A581	R531-Q533 WeakPolarHBondContact CD-O 3.31Å; R531-Q533 PolarHBondContact NE-O 3.49Å; R531-R535 PolarHBondContact NH2-O 3.17Å; R531-P579 WeakPolarHBondContact CB-O 3.37Å; R531-P579 VanDerWaalsContact CD-O 3.27Å; R531-P579 WeakPolarHBondContact CD-O 2.99Å; R531-L580 VanDerWaalsContact CB-C 3.41Å; R531-L580 VanDerWaalsContact CD-O 3.24Å; R531-L580 WeakPolarHBondContact CD-O 3.22Å; R531-L580 WeakPolarHBondContact CG-O 3.46Å; R531-L580 PolarHBondContact NH1-O 3.1Å; R531-A581 HydrophobicContact CB-CB 4.11Å; R531-A581 HydrophobicContact CG-CB 3.88Å; R531-A581 VanDerWaalsContact N-N 3.15Å; R531-A581 PolarHBondContact N-O 2.97Å; R531-A581 VanDerWaalsContact N-O 3.16Å
532	S	35.9	Very low	29.2	Very low	99 Å²	99	141.9 Å²	141.9	69%	0.692	69%	0.691	S	S	*	*				-146.1	135.1	118	-171.9	0	0	0	0	109
533	Q	38.4	Very low	29.3	Very low	95 Å²	95	138.4 Å²	138.4	44%	0.444	68%	0.68	S	S	.	*	S	Bend	cis	-130	-76.6	7.3	-144.6	-165.6	101.4	0	0	114.3	R531 P578	R531-Q533 WeakPolarHBondContact CD-O 3.31Å; R531-Q533 PolarHBondContact NE-O 3.49Å; Q533-P578 HydrophobicContact CG-CB 3.38Å; Q533-P578 HydrophobicContact CG-CG 3.93Å
534	Q	36	Very low	29.5	Very low	78 Å²	78	137.1 Å²	137.1	36%	0.364	67%	0.672	S	S	.	*			trans	-140.4	140.1	-164.8	-48.1	-164.8	39.3	0	0	114	S1337	Q534-S1337 PolarHBondContact NE2-O 3.41Å
535	R	28.4	Very low	29.7	Very low	147 Å²	147	140.7 Å²	140.7	56%	0.555	67%	0.667	S	S	*	*			cis	60.5	105.8	-10.5	-55.7	-168.8	-169.3	-175	4.6	116.9	R531	R531-R535 PolarHBondContact NH2-O 3.17Å
536	H	29.5	Very low	29.8	Very low	134 Å²	134	139.2 Å²	139.2	62%	0.62	66%	0.656	S	S	*	*			cis	-172	-167.9	8	-74	-71.3	0	0	0	109.1
537	H	29.6	Very low	30	Very low	154 Å²	154	134.4 Å²	134.4	71%	0.713	64%	0.644	S	S	*	*				-160.9	145.4	111.6	-111.6	-73.1	0	0	0	114.1
538	Y	26.5	Very low	30.3	Very low	217 Å²	217	135.7 Å²	135.7	85%	0.851	65%	0.648	S	S	*	*			trans	-143.8	175.1	170.5	-142.9	-100	0	0	0	108.6
539	Q	27.2	Very low	30.2	Very low	187 Å²	187	137.4 Å²	137.4	87%	0.874	66%	0.662	S	S	*	*			trans	68.8	154.8	175.4	-64.9	-174	-21.6	0	0	118.8
540	K	31.7	Very low	30.3	Very low	204 Å²	204	138.8 Å²	138.8	89%	0.887	68%	0.676	S	S	*	*			trans	-78.1	158.5	172.7	-83.7	-178	172.3	-179.1	0	111.5
541	R	27.9	Very low	30.3	Very low	228 Å²	228	137.1 Å²	137.1	86%	0.86	68%	0.683	S	S	*	*			trans	-147.6	149	150.2	-115.2	-167.3	-174.8	-138.6	4.6	111.4
542	R	23.8	Very low	30.3	Very low	211 Å²	211	140.1 Å²	140.1	80%	0.796	70%	0.704	S	S	*	*			trans	-155.7	169.1	141.7	-109.4	-174.4	-178	-162.3	0.7	108.6
543	S	26.7	Very low	30.1	Very low	89 Å²	89	142 Å²	142	62%	0.622	71%	0.712	S	S	*	*			trans	67.1	123.9	-157.6	-81.3	0	0	0	0	114.9
544	V	30.3	Very low	29.6	Very low	115 Å²	115	141.8 Å²	141.8	70%	0.697	73%	0.727	S	S	*	*			cis	74.5	145.4	-1.1	-160.4	0	0	0	0	114.5
545	R	28.7	Very low	29.1	Very low	200 Å²	200	143.4 Å²	143.4	76%	0.755	75%	0.746	S	S	*	*			cis	-102.4	-154.1	-7.2	-132.9	154.9	162.2	-118.7	-3	108.8
546	E	29.3	Very low	28.9	Very low	129 Å²	129	141.1 Å²	141.1	60%	0.603	76%	0.759	S	S	*	*			cis	-136.3	-164.2	-5	-154.1	53.5	-94.7	0	0	105
547	S	31.8	Very low	28.9	Very low	102 Å²	102	140.7 Å²	140.7	71%	0.713	77%	0.765	S	S	*	*			cis	-154.7	-179.5	-6	85.2	0	0	0	0	106.2
548	S	33.3	Very low	28.8	Very low	108 Å²	108	138.2 Å²	138.2	76%	0.755	76%	0.761	S	S	*	*			cis	-149.7	154.1	-21.7	70.2	0	0	0	0	105.4
549	S	31	Very low	28.7	Very low	108 Å²	108	137.4 Å²	137.4	76%	0.755	76%	0.757	S	S	*	*			cis	-157.8	-175.7	-3.1	57.5	0	0	0	0	107.1
550	T	30.8	Very low	28.6	Very low	133 Å²	133	140.5 Å²	140.5	82%	0.816	76%	0.76	S	S	*	*			cis	-125.9	-79.6	2.8	52.1	0	0	0	0	110.2
551	G	30.1	Very low	28.3	Very low	66 Å²	66	141.1 Å²	141.1	68%	0.68	76%	0.757	S	S	*	*			trans	110	-29.9	148.9	0	0	0	0	0	120
552	N	29.9	Very low	28.1	Very low	138 Å²	138	135.8 Å²	135.8	74%	0.738	75%	0.752	S	S	*	*			trans	59	126.5	173.1	-69.7	-1	0	0	0	120.8
553	T	32.1	Very low	28.3	Very low	138 Å²	138	136.4 Å²	136.4	85%	0.847	75%	0.754	S	S	*	*			trans	67.4	162.1	143.3	60	0	0	0	0	120.6
554	A	26.1	Very low	28.4	Very low	92 Å²	92	140.3 Å²	140.3	76%	0.76	77%	0.767	S	S	*	*			cis	-169.8	-176	-33.1	0	0	0	0	0	109.5
555	S	25.6	Very low	28.4	Very low	111 Å²	111	137.8 Å²	137.8	78%	0.776	76%	0.764	S	S	*	*			trans	-51.9	149.6	-173.7	-52.3	0	0	0	0	119.4
556	A	23.8	Very low	28.7	Very low	99 Å²	99	134.6 Å²	134.6	82%	0.818	77%	0.767	S	S	*	*			trans	64.4	-154.8	146.2	0	0	0	0	0	117.9
557	V	30.1	Very low	28.8	Very low	125 Å²	125	136.5 Å²	136.5	76%	0.758	78%	0.776	S	S	*	*			trans	63.9	86.9	179.8	-169.9	0	0	0	0	114.5
558	V	26.9	Very low	28.7	Very low	102 Å²	102	136.3 Å²	136.3	62%	0.618	77%	0.771	S	S	*	*				62.6	115.3	83.2	176.8	0	0	0	0	114.5	R560	V558-R560 PolarHBondContact O-N 3.42Å
559	R	26	Very low	28.5	Very low	201 Å²	201	138.9 Å²	138.9	76%	0.758	77%	0.769	S	S	*	*			trans	23.7	99	139.5	-46.2	169.8	-173.5	126	-4.1	115.7	R561	R559-R561 VanDerWaalsContact C-N 3.3Å; R559-R561 PolarHBondContact O-N 2.97Å
560	R	24.8	Very low	28.5	Very low	251 Å²	251	141.7 Å²	141.7	95%	0.947	77%	0.767	S	S	*	*			trans	-72	90.7	157.4	-74.9	-167.9	177.3	175.7	1.1	110	V558	V558-R560 PolarHBondContact O-N 3.42Å
561	R	25.7	Very low	28.5	Very low	218 Å²	218	142.1 Å²	142.1	82%	0.823	76%	0.763	S	S	*	*			trans	-47.8	145.4	158.1	-71.8	172.8	165	168.2	-6.2	109.3	R559 R563	R559-R561 VanDerWaalsContact C-N 3.3Å; R559-R561 PolarHBondContact O-N 2.97Å; R561-R563 PolarHBondContact O-N 3.31Å; R561-R563 VanDerWaalsContact O-N 3.09Å
562	P	23.3	Very low	28.4	Very low	116 Å²	116	142.8 Å²	142.8	75%	0.753	76%	0.762	S	S	*	*	S	Bend	trans	-70.1	103.4	161.8	29.2	-31.8	0	0	0	110.2
563	R	28.5	Very low	28.5	Very low	224 Å²	224	147.8 Å²	147.8	85%	0.845	77%	0.771	S	S	*	*			trans	-176.3	109.5	146.3	-98.2	164.8	-166.9	-160.6	2.2	105.9	R561	R561-R563 PolarHBondContact O-N 3.31Å; R561-R563 VanDerWaalsContact O-N 3.09Å
564	L	28.2	Very low	28.2	Very low	171 Å²	171	145.9 Å²	145.9	90%	0.895	76%	0.763	S	S	*	*				55.5	116.4	98	-81.9	82.5	0	0	0	112.4
565	G	30.2	Very low	28	Very low	62 Å²	62	147.8 Å²	147.8	64%	0.639	77%	0.769	S	S	*	*			cis	-176	-172.6	-0.9	0	0	0	0	0	113.6
566	T	34.5	Very low	28	Very low	132 Å²	132	147.6 Å²	147.6	81%	0.81	77%	0.768	S	S	*	*			trans	60.9	141.4	178.5	58.1	0	0	0	0	116.3
567	Q	31.8	Very low	28.7	Very low	170 Å²	170	145.7 Å²	145.7	79%	0.794	75%	0.747	S	S	*	*			cis	-151.2	160.1	-7.5	-121.4	167.3	4.9	0	0	111
568	T	30.6	Very low	29.2	Very low	98 Å²	98	141.2 Å²	141.2	60%	0.601	72%	0.721	S	S	*	*			trans	-20.6	158.6	158.8	47.8	0	0	0	0	119.8
569	F	28.7	Very low	29.8	Very low	162 Å²	162	137.2 Å²	137.2	71%	0.711	70%	0.697	S	S	*	*			cis	-164.3	154.8	29.7	-101.6	-45.6	0	0	0	114.6
570	K	29.9	Very low	30	Very low	166 Å²	166	132.3 Å²	132.3	72%	0.722	69%	0.686	S	S	*	*			trans	64.4	150.9	138.5	-67.8	175.1	177.1	-177.7	0	120.8
571	I	31.4	Very low	30.2	Very low	142 Å²	142	121.7 Å²	121.7	73%	0.728	65%	0.652	S	S	*	*			cis	-162.6	158.7	-8.9	-118.3	167.7	0	0	0	113.2
572	A	29.1	Very low	30.5	Very low	81 Å²	81	115.7 Å²	115.7	67%	0.669	64%	0.643	S	S	*	*			trans	50.9	139.1	160.2	0	0	0	0	0	121.8
573	R	30.2	Very low	30.8	Very low	242 Å²	242	115.5 Å²	115.5	91%	0.913	64%	0.639	S	S	*	*			cis	88.7	140.9	35.2	-72.4	-179.6	178.5	178.1	-1.4	114.7
574	S	26.2	Very low	31.1	Very low	99 Å²	99	111.9 Å²	111.9	69%	0.692	64%	0.637	S	S	*	*			cis	178	156.2	-17.5	50.1	0	0	0	0	114.9
575	C	23.4	Very low	31.3	Very low	131 Å²	131	108 Å²	108	89%	0.885	62%	0.624	S	S	*	*			trans	94.9	168	151.2	-64.8	0	0	0	0	124.8
576	S	25.5	Very low	31.3	Very low	108 Å²	108	113.2 Å²	113.2	76%	0.755	63%	0.634	S	S	*	*			trans	-128.6	-164.5	-157	-34.9	0	0	0	0	114
577	P	37.5	Very low	30.9	Very low	58 Å²	58	113.3 Å²	113.3	38%	0.377	63%	0.629	S	S	.	*			cis	-123.3	0	-41.3	44.2	-26.6	0	0	0	114.4	S1334 K1335 S1336	P577-S1334 CarbonylContact C-O 3.54Å; P577-S1334 VanDerWaalsContact CA-O 3.27Å; P577-S1334 WeakPolarHBondContact CA-O 3.33Å; P577-S1334 CarbonylContact O-C 3.47Å; P577-K1335 WeakPolarHBondContact CA-O 3.29Å; P577-K1335 WeakPolarHBondContact CB-O 3.05Å; P577-S1336 WeakPolarHBondContact CB-O 3.35Å
578	P	41.1	Very low	30.8	Very low	32 Å²	32	111.5 Å²	111.5	21%	0.208	63%	0.625	C	S	.	*				0	173.5	0	41.4	-16.1	0	0	0	122	Q533 S1334 K1335	Q533-P578 HydrophobicContact CG-CB 3.38Å; Q533-P578 HydrophobicContact CG-CG 3.93Å; P578-S1334 CarbonylContact O-C 2.79Å; P578-K1335 VanDerWaalsContact C-C 3.48Å; P578-K1335 VanDerWaalsContact C-CA 3.45Å; P578-K1335 VanDerWaalsContact N-N 3.12Å; P578-K1335 WeakPolarHBondContact O-CA 3.39Å; P578-K1335 PolarHBondContact O-N 2.9Å
579	P	38.4	Very low	30.7	Very low	18 Å²	18	111.4 Å²	111.4	12%	0.117	63%	0.628	C	S	.	*			trans	-95.2	-163.5	-154.7	35.5	-32.7	0	0	0	122.7	L530 R531 S1336	L530-P579 WeakPolarHBondContact CD2-O 3.26Å; R531-P579 WeakPolarHBondContact CB-O 3.37Å; R531-P579 VanDerWaalsContact CD-O 3.27Å; R531-P579 WeakPolarHBondContact CD-O 2.99Å; P579-S1336 VanDerWaalsContact CD-N 3.32Å; P579-S1336 VanDerWaalsContact N-N 3.18Å
580	L	30.8	Very low	31	Very low	98 Å²	98	112.8 Å²	112.8	51%	0.513	64%	0.639	S	S	.	*			trans	-96	142.1	-162.8	-59.5	161	0	0	0	123.7	I529 L530 R531	I529-L580 HydrophobicContact CG2-CD2 4.19Å; L530-L580 HydrophobicContact CD2-CD2 3.77Å; L530-L580 HydrophobicContact CD2-CG 4.33Å; L530-L580 HydrophobicContact CG-CD2 3.94Å; R531-L580 VanDerWaalsContact CB-C 3.41Å; R531-L580 VanDerWaalsContact CD-O 3.24Å; R531-L580 WeakPolarHBondContact CD-O 3.22Å; R531-L580 WeakPolarHBondContact CG-O 3.46Å; R531-L580 PolarHBondContact NH1-O 3.1Å
581	A	29.8	Very low	30.8	Very low	28 Å²	28	108 Å²	108	23%	0.231	64%	0.637	C	S	.	*			trans	-174.4	117.8	159.3	0	0	0	0	0	120.7	I529 L530 R531	I529-A581 CarbonylContact O-C 3.58Å; I529-A581 PolarHBondContact O-N 2.89Å; L530-A581 CarbonylContact C-O 3.53Å; R531-A581 HydrophobicContact CB-CB 4.11Å; R531-A581 HydrophobicContact CG-CB 3.88Å; R531-A581 VanDerWaalsContact N-N 3.15Å; R531-A581 PolarHBondContact N-O 2.97Å; R531-A581 VanDerWaalsContact N-O 3.16Å
582	S	30.8	Very low	31	Very low	92 Å²	92	107.1 Å²	107.1	64%	0.643	64%	0.64	S	S	*	*			trans	89.5	101.9	153.4	-62.4	0	0	0	0	126.7	P528 I529	P528-S582 VanDerWaalsContact C-N 3.32Å; P528-S582 CarbonylContact O-C 3.52Å; P528-S582 WeakPolarHBondContact O-CA 3.27Å; P528-S582 PolarHBondContact O-N 2.91Å; I529-S582 PolarHBondContact O-N 3.42Å; I529-S582 VanDerWaalsContact O-N 3.13Å
583	V	30.5	Very low	30.9	Very low	111 Å²	111	111.4 Å²	111.4	67%	0.673	65%	0.646	S	S	*	*			trans	33.6	142.3	138.4	-75.6	0	0	0	0	127.4	P528	P528-V583 PolarHBondContact O-N 3.35Å
584	D	34.2	Very low	30.7	Very low	148 Å²	148	104.5 Å²	104.5	79%	0.791	63%	0.631	S	S	*	*			trans	-142.5	134.6	130.9	-110.2	-39.5	0	0	0	107.2
585	S	32	Very low	30.5	Very low	89 Å²	89	106.6 Å²	106.6	62%	0.622	63%	0.634	S	S	*	*				72.9	135.7	84	-57.5	0	0	0	0	114.5
586	M	30.3	Very low	30.7	Very low	173 Å²	173	109.3 Å²	109.3	85%	0.852	63%	0.634	S	S	*	*			cis	-158.2	178.5	0.4	-126.2	173.7	-178.6	0	0	112.3
587	N	27.1	Very low	30.7	Very low	133 Å²	133	111.1 Å²	111.1	71%	0.711	64%	0.635	S	S	*	*			trans	-55.9	172.5	175.5	-45.4	-8	0	0	0	113.4
588	D	29.8	Very low	30.3	Very low	133 Å²	133	116 Å²	116	71%	0.711	66%	0.657	S	S	*	*			cis	-160.8	138.6	44.6	-97.4	-50.8	0	0	0	115
589	S	28.4	Very low	29.9	Very low	95 Å²	95	120.4 Å²	120.4	66%	0.664	68%	0.679	S	S	*	*				61.7	160.7	125.3	-59	0	0	0	0	124
590	M	34.2	Very low	29.1	Very low	192 Å²	192	127.4 Å²	127.4	95%	0.946	70%	0.703	S	S	*	*			trans	70.1	144.7	-160.7	-49.7	-59.3	170.5	0	0	112.7
591	G	25.6	Very low	28.8	Very low	65 Å²	65	134.8 Å²	134.8	67%	0.67	72%	0.724	S	S	*	*			cis	-176.9	153.8	-4.9	0	0	0	0	0	109.5
592	P	35.6	Very low	28.6	Very low	123 Å²	123	138.7 Å²	138.7	80%	0.799	74%	0.735	S	S	*	*			trans	-90.7	152	-164.3	35.3	-36.2	0	0	0	114.8
593	H	27.5	Very low	28.2	Very low	171 Å²	171	141.8 Å²	141.8	79%	0.792	74%	0.74	S	S	*	*			trans	-149.8	115.8	151.6	-100.8	-74	0	0	0	106.6
594	T	25.7	Very low	27.9	Very low	97 Å²	97	144.4 Å²	144.4	60%	0.595	75%	0.745	S	S	*	*				55.8	109	100.9	64.3	0	0	0	0	112.8
595	D	22.4	Very low	27.5	Very low	143 Å²	143	144.9 Å²	144.9	77%	0.765	74%	0.742	S	S	*	*				71.2	83	77.6	-58.6	-41.5	0	0	0	112
596	E	28.2	Very low	27.2	Very low	189 Å²	189	143.6 Å²	143.6	88%	0.883	73%	0.73	S	S	*	*			trans	-129.8	113.7	139.8	-69.2	-176.1	174.5	0	0	103.3
597	D	24.5	Very low	27.3	Very low	146 Å²	146	141.1 Å²	141.1	78%	0.781	72%	0.721	S	S	*	*			cis	61.7	76.9	18.4	-126.1	35.4	0	0	0	112
598	I	30.5	Very low	27.6	Very low	160 Å²	160	139.5 Å²	139.5	82%	0.821	71%	0.711	S	S	*	*			trans	-165.8	102.2	144	-97.7	149.6	0	0	0	108.1
599	D	32.7	Very low	27.4	Very low	125 Å²	125	140.6 Å²	140.6	67%	0.668	71%	0.713	S	S	*	*			trans	-76.3	176.1	152.3	-169.5	5.2	0	0	0	108.3
600	W	21.3	Very low	27.3	Very low	165 Å²	165	141.2 Å²	141.2	63%	0.625	71%	0.714	S	S	*	*			trans	76	86.4	173.5	-45.4	96.5	0	0	0	117.3
601	R	24.2	Very low	27.1	Very low	252 Å²	252	138.4 Å²	138.4	95%	0.951	70%	0.703	S	S	*	*				-130.5	129.8	118	-94.8	-163.4	177.5	-132.4	-2.4	111.1
602	K	25.8	Very low	27.2	Very low	110 Å²	110	139 Å²	139	48%	0.478	70%	0.695	S	S	.	*			trans	-75.6	-178.8	157.6	-70.6	-179.2	179.3	175	0	109.6	D354	D354-K602 IonicContact OD1-NZ 2.67Å; D354-K602 PolarHBondContact OD1-NZ 2.93Å
603	E	22.1	Very low	26.8	Very low	157 Å²	157	140.1 Å²	140.1	73%	0.734	69%	0.694	S	S	*	*			trans	83.4	143	150.1	-81.7	129.8	-124	0	0	120
604	E	23.9	Very low	26.6	Very low	167 Å²	167	137.8 Å²	137.8	78%	0.78	69%	0.687	S	S	*	*			trans	77.7	139.7	156.8	-73.4	178.5	155.9	0	0	121.7
605	E	26.7	Very low	27	Very low	158 Å²	158	137.2 Å²	137.2	74%	0.738	69%	0.687	S	S	*	*			trans	50.8	86.8	161.9	-59.4	-159.9	147.3	0	0	118.2
606	T	25.2	Very low	27.5	Very low	61 Å²	61	133.7 Å²	133.7	37%	0.374	67%	0.672	S	S	.	*				79.5	162.2	80.6	64.4	0	0	0	0	113.5	N348	N348-T606 HydrophobicContact CB-CG2 4.38Å; N348-T606 WeakPolarHBondContact ND2-CG2 3.18Å
607	N	31.1	Very low	27.3	Very low	122 Å²	122	131.5 Å²	131.5	65%	0.652	66%	0.661	S	S	*	*			trans	75.2	104.2	-174.6	-46.3	-70.4	0	0	0	111.5
608	L	34.5	Very low	27.3	Very low	98 Å²	98	131.2 Å²	131.2	51%	0.513	66%	0.658	S	S	.	*				68.4	110.7	96.2	-67.4	160.9	0	0	0	110	Y346	Y346-L608 HydrophobicContact CE1-CD2 4.11Å
609	E	24.4	Very low	27.3	Very low	157 Å²	157	128.5 Å²	128.5	73%	0.734	65%	0.652	S	S	*	*				50.5	131.6	75.6	-63.3	-165	114.9	0	0	112.5
610	P	27.9	Very low	27.2	Very low	107 Å²	107	126 Å²	126	70%	0.695	64%	0.642	S	S	*	*			cis	-119.8	145.5	29	2.7	22.6	0	0	0	116.2
611	N	28.7	Very low	27.5	Very low	134 Å²	134	120.6 Å²	120.6	72%	0.717	63%	0.629	S	S	*	*				-67.3	132.4	116.7	-91	-13.7	0	0	0	104.9
612	P	27.5	Very low	27.7	Very low	76 Å²	76	114.3 Å²	114.3	49%	0.494	62%	0.615	S	S	.	*				-137.7	-178.3	62	39.7	-20.2	0	0	0	111.5	L614	P612-L614 HydrophobicContact CB-CB 4.12Å; P612-L614 HydrophobicContact CB-CD1 3.89Å; P612-L614 HydrophobicContact CB-CG 3.83Å; P612-L614 HydrophobicContact CG-CB 4.24Å; P612-L614 HydrophobicContact CG-CD1 4.01Å; P612-L614 HydrophobicContact CG-CG 4.29Å
613	D	27.2	Very low	27.7	Very low	148 Å²	148	110.9 Å²	110.9	79%	0.791	61%	0.607	S	S	*	*			cis	61.9	-176	29.1	-155.3	-7.2	0	0	0	112.1
614	L	24.1	Very low	27.8	Very low	122 Å²	122	106.9 Å²	106.9	64%	0.639	60%	0.6	S	S	*	*			trans	62.6	52.6	174.5	-56.2	174.8	0	0	0	115.3	P612 P616	P612-L614 HydrophobicContact CB-CB 4.12Å; P612-L614 HydrophobicContact CB-CD1 3.89Å; P612-L614 HydrophobicContact CB-CG 3.83Å; P612-L614 HydrophobicContact CG-CB 4.24Å; P612-L614 HydrophobicContact CG-CD1 4.01Å; P612-L614 HydrophobicContact CG-CG 4.29Å; L614-P616 WeakPolarHBondContact O-CD 3.16Å
615	S	33.3	Very low	28.1	Very low	84 Å²	84	104 Å²	104	59%	0.587	60%	0.599	S	S	*	*			trans	35	-108.4	138	-46	0	0	0	0	115.3
616	P	33.3	Very low	28.3	Very low	70 Å²	70	104.3 Å²	104.3	46%	0.455	61%	0.605	S	S	.	*				-117.5	-141	-53.9	16.1	11.8	0	0	0	108.1	L614	L614-P616 WeakPolarHBondContact O-CD 3.16Å
617	Q	23.6	Very low	28.7	Very low	142 Å²	142	106 Å²	106	66%	0.664	62%	0.617	S	S	*	*			trans	81.7	124.4	141.6	-76.9	-178.2	41.6	0	0	120.4
618	I	25	Very low	29.3	Very low	140 Å²	140	106.7 Å²	106.7	72%	0.718	63%	0.628	S	S	*	*				96.2	141.3	125.3	-79.5	175.6	0	0	0	118
619	P	30.2	Very low	28.9	Very low	104 Å²	104	106.8 Å²	106.8	68%	0.675	63%	0.633	S	S	*	*			trans	-107.3	-147.6	-171.1	46.4	-32.4	0	0	0	106.8
620	P	30.6	Very low	29.1	Very low	73 Å²	73	104.1 Å²	104.1	47%	0.474	63%	0.632	S	S	.	*			cis	-102.5	-171	-30.8	38.5	-27.2	0	0	0	109.7	N622	P620-N622 PolarHBondContact O-N 3.18Å
621	S	27.9	Very low	29.6	Very low	51 Å²	51	109.9 Å²	109.9	36%	0.357	64%	0.64	S	S	.	*			trans	-25.1	117.3	150.9	22.5	0	0	0	0	113.6	H720	S621-H720 WeakPolarHBondContact O-CB 3.36Å; S621-H720 PolarHBondContact O-CD2 3.1Å; S621-H720 PolarHBondContact O-N 3.44Å; S621-H720 PolarHBondContact OG-CE1 3.2Å; S621-H720 PolarHBondContact OG-ND1 2.79Å
622	N	27.9	Very low	30.3	Very low	119 Å²	119	111.5 Å²	111.5	64%	0.636	65%	0.645	S	S	*	*			trans	-133.3	142.2	149	-91.7	-74.9	0	0	0	111	P620 G719 H720	P620-N622 PolarHBondContact O-N 3.18Å; N622-G719 WeakPolarHBondContact O-CA 3.5Å; N622-H720 CarbonylContact C-O 3.56Å; N622-H720 VanDerWaalsContact C-O 3.27Å; N622-H720 WeakPolarHBondContact CA-O 3.48Å; N622-H720 PolarHBondContact OD1-O 3.43Å
623	A	26.4	Very low	30.7	Very low	39 Å²	39	112.2 Å²	112.2	32%	0.322	65%	0.647	S	S	.	*			trans	-134.9	175.9	-155.6	0	0	0	0	0	116.2	G719 H720 S721	A623-G719 VanDerWaalsContact CB-C 3.46Å; A623-H720 WeakPolarHBondContact CB-O 3.14Å; A623-H720 PolarHBondContact N-O 3.3Å; A623-S721 WeakPolarHBondContact O-CB 3.2Å; A623-S721 PolarHBondContact O-OG 3.34Å
624	A	25.4	Very low	30.6	Very low	72 Å²	72	114.4 Å²	114.4	60%	0.595	65%	0.645	S	S	*	*			trans	30.7	96.8	147	0	0	0	0	0	116.9	S721	A624-S721 PolarHBondContact O-OG 3.14Å
625	S	28.4	Very low	30.8	Very low	108 Å²	108	114.4 Å²	114.4	76%	0.755	65%	0.652	S	S	*	*				-141.9	155	117.3	59.1	0	0	0	0	111
626	L	32.7	Very low	30.7	Very low	163 Å²	163	120.1 Å²	120.1	85%	0.853	66%	0.661	S	S	*	*			trans	75.8	76.1	169.8	-55.8	177.4	0	0	0	119.6
627	P	33.9	Very low	30.7	Very low	98 Å²	98	120.9 Å²	120.9	64%	0.636	67%	0.668	S	S	*	*			trans	-81.6	-168.6	152.6	38.8	-34.9	0	0	0	111.1	T629	P627-T629 HydrophobicContact CB-CG2 4.17Å; P627-T629 HydrophobicContact CG-CG2 4.2Å
628	P	41.8	Very low	31	Very low	135 Å²	135	118.3 Å²	118.3	88%	0.877	67%	0.665	S	S	*	*				-127.9	152	95.4	37	-31.9	0	0	0	113.9
629	T	26.6	Very low	31.3	Very low	101 Å²	101	119.1 Å²	119.1	62%	0.62	67%	0.669	S	S	*	*			trans	-96	158.9	-171.5	51.7	0	0	0	0	113.5	P627	P627-T629 HydrophobicContact CB-CG2 4.17Å; P627-T629 HydrophobicContact CG-CG2 4.2Å
630	S	28.5	Very low	31.5	Very low	101 Å²	101	117.4 Å²	117.4	71%	0.706	67%	0.671	S	S	*	*			trans	54.4	118.2	144.2	-64.5	0	0	0	0	120.6
631	R	38.9	Very low	31.4	Very low	228 Å²	228	119.8 Å²	119.8	86%	0.86	69%	0.686	S	S	*	*				-171.9	152.1	127.8	-103.5	158.8	-159.3	-153.8	5.6	110.6	V633	R631-V633 HydrophobicContact CG-CG2 4.2Å
632	M	43.1	Very low	31.3	Very low	167 Å²	167	122 Å²	122	82%	0.823	70%	0.702	S	S	*	*			cis	-123.6	150.9	1.1	-62.1	-175.4	65.8	0	0	109.8
633	V	35.8	Very low	31.2	Very low	91 Å²	91	122.9 Å²	122.9	55%	0.552	71%	0.707	S	S	*	*			cis	83.5	103.3	26.5	-176.2	0	0	0	0	115.1	R631	R631-V633 HydrophobicContact CG-CG2 4.2Å
634	R	26.4	Very low	31.2	Very low	195 Å²	195	131.6 Å²	131.6	74%	0.736	73%	0.731	S	S	*	*			trans	69.6	164.6	161.7	-77	-170.4	162.1	-176.1	-4.1	116.1	R636	R634-R636 HydrophobicContact CB-CG 4.37Å
635	P	28.2	Very low	31.3	Very low	122 Å²	122	133.7 Å²	133.7	79%	0.792	74%	0.737	S	S	*	*			cis	-62.9	146.2	30	27.9	-38.7	0	0	0	115.2
636	R	31.4	Very low	31.4	Very low	203 Å²	203	133.4 Å²	133.4	77%	0.766	74%	0.735	S	S	*	*				66.7	136.6	50.1	-65.9	-174.5	175.5	-160.8	-0.7	110.8	R634	R634-R636 HydrophobicContact CB-CG 4.37Å
637	S	31.3	Very low	31.5	Very low	86 Å²	86	133.8 Å²	133.8	60%	0.601	73%	0.73	S	S	*	*			cis	-167.8	165.6	-12	47	0	0	0	0	110.5
638	S	30.3	Very low	31.6	Very low	88 Å²	88	135.2 Å²	135.2	62%	0.615	73%	0.728	S	S	*	*			trans	54.2	132.9	131.8	64.8	0	0	0	0	123
639	I	31.5	Very low	31.1	Very low	157 Å²	157	140.7 Å²	140.7	81%	0.805	73%	0.731	S	S	*	*			trans	67.9	118.4	140.5	-62	163.5	0	0	0	116.5
640	G	34.2	Very low	31.2	Very low	69 Å²	69	139.7 Å²	139.7	71%	0.711	73%	0.726	S	S	*	*			trans	-77.8	147.3	156.4	0	0	0	0	0	110.3
641	P	28.5	Very low	31.4	Very low	122 Å²	122	141 Å²	141	79%	0.792	73%	0.73	S	S	*	*				-144	-176.6	91	41.6	-28.6	0	0	0	114.4	D643	P641-D643 PolarHBondContact O-N 3.1Å
642	S	25.7	Very low	30.7	Very low	98 Å²	98	135 Å²	135	69%	0.685	72%	0.722	S	S	*	*			trans	-57.7	112.5	167.4	-57	0	0	0	0	113
643	D	26.1	Very low	30.4	Very low	137 Å²	137	132.8 Å²	132.8	73%	0.733	72%	0.723	S	S	*	*				-149.8	129.1	117.9	-98.5	-26.7	0	0	0	108	P641	P641-D643 PolarHBondContact O-N 3.1Å
644	R	27.7	Very low	30.2	Very low	222 Å²	222	131.3 Å²	131.3	84%	0.838	73%	0.727	S	S	*	*			cis	62.7	39.7	38.7	-56.8	-175.6	163.2	-165.4	-0.1	115.4
645	T	26.6	Very low	30.6	Very low	116 Å²	116	127.9 Å²	127.9	71%	0.712	73%	0.73	S	S	*	*			trans	-125.7	149.6	146.1	54.8	0	0	0	0	111.2
646	S	31	Very low	30.4	Very low	102 Å²	102	129 Å²	129	71%	0.713	73%	0.729	S	S	*	*			trans	64.4	113.7	166.8	-47.1	0	0	0	0	114.9
647	K	35.1	Very low	30.3	Very low	172 Å²	172	125.5 Å²	125.5	75%	0.748	72%	0.723	S	S	*	*				51.2	126.5	60.8	-54.2	173.1	153	-107.4	0	111.8
648	E	35	Very low	30.2	Very low	127 Å²	127	130.4 Å²	130.4	59%	0.593	73%	0.734	S	S	*	*			cis	-153.8	148.6	-1	-117.2	149.8	-139.6	0	0	108.1	P650	E648-P650 HydrophobicContact CB-CG 4.15Å; E648-P650 VanDerWaalsContact O-CD 3.24Å; E648-P650 WeakPolarHBondContact O-CD 3.21Å
649	R	31.4	Very low	30.1	Very low	250 Å²	250	129 Å²	129	94%	0.943	73%	0.733	S	S	*	*			trans	-74.6	117.3	140	176	-157.7	-154.8	179.8	8.9	105.8
650	P	29.3	Very low	29.8	Very low	80 Å²	80	129.8 Å²	129.8	52%	0.519	74%	0.738	S	S	.	*			trans	-135.6	163.3	149.2	39.3	-24.1	0	0	0	111.5	E648 S652	E648-P650 HydrophobicContact CB-CG 4.15Å; E648-P650 VanDerWaalsContact O-CD 3.24Å; E648-P650 WeakPolarHBondContact O-CD 3.21Å; P650-S652 PolarHBondContact O-N 2.86Å
651	V	31.2	Very low	29.3	Very low	130 Å²	130	134.2 Å²	134.2	79%	0.788	74%	0.738	S	S	*	*			trans	32.4	85.1	166.7	-92.2	0	0	0	0	115.5
652	S	24.3	Very low	29.4	Very low	100 Å²	100	135.2 Å²	135.2	70%	0.699	73%	0.73	S	S	*	*				51.4	103.6	52.1	97.3	0	0	0	0	113.7	P650	P650-S652 PolarHBondContact O-N 2.86Å
653	S	38	Very low	29.4	Very low	121 Å²	121	141.4 Å²	141.4	85%	0.846	74%	0.738	S	S	*	*				-164.6	123	116.9	22.5	0	0	0	0	109.9
654	G	30.7	Very low	29.3	Very low	61 Å²	61	135.2 Å²	135.2	63%	0.629	71%	0.707	S	S	*	*			cis	71.3	117.6	0.4	0	0	0	0	0	112.3
655	P	34.5	Very low	29.3	Very low	123 Å²	123	125.5 Å²	125.5	80%	0.799	67%	0.673	S	S	*	*			cis	-108	158.3	31.4	43.9	-38.3	0	0	0	112
656	D	25.6	Very low	29.4	Very low	146 Å²	146	123.7 Å²	123.7	78%	0.781	66%	0.662	S	S	*	*			cis	72.9	159.2	20.4	-150.4	-4.4	0	0	0	114.6
657	M	29.2	Very low	29.3	Very low	129 Å²	129	124.5 Å²	124.5	64%	0.635	65%	0.652	S	S	*	*			trans	55.3	132	177	-58.2	-148	70	0	0	117.9
658	F	28.7	Very low	28.7	Very low	189 Å²	189	121.2 Å²	121.2	83%	0.829	64%	0.643	S	S	*	*			cis	-116.7	152.9	8.8	-68.8	-109.1	0	0	0	110.4
659	G	27.2	Very low	28.3	Very low	58 Å²	58	119.6 Å²	119.6	60%	0.598	64%	0.642	S	S	*	*			cis	132	124.2	6.5	0	0	0	0	0	110.4	F661	G659-F661 PolarHBondContact O-N 3.3Å
660	L	25	Very low	28.2	Very low	173 Å²	173	114.5 Å²	114.5	91%	0.906	63%	0.633	S	S	*	*			trans	-63.4	121.8	-177.4	-77	158.8	0	0	0	112.8
661	F	25.4	Very low	28.2	Very low	163 Å²	163	119.2 Å²	119.2	72%	0.715	65%	0.648	S	S	*	*			trans	-161	141.7	156.9	-86.6	-57.6	0	0	0	107.7	G659	G659-F661 PolarHBondContact O-N 3.3Å
662	K	29.8	Very low	28.2	Very low	142 Å²	142	118.5 Å²	118.5	62%	0.617	65%	0.646	S	S	*	*			cis	-134.1	123.9	6.8	-79.6	-161.8	165.5	-165.8	0	111.9	G664 S665	K662-G664 VanDerWaalsContact CB-N 3.26Å; K662-S665 PolarHBondContact NZ-OG 2.78Å
663	R	24.7	Very low	28.5	Very low	229 Å²	229	121.7 Å²	121.7	86%	0.864	65%	0.649	S	S	*	*	S	Bend		-96.1	94	97	-119.8	-162.3	-173.8	-164.1	2.8	105.4	N275	N275-R663 WeakPolarHBondContact OD1-CG 3.37Å
664	G	25.7	Very low	28	Very low	7 Å²	7	120.9 Å²	120.9	7%	0.072	64%	0.643	C	S	.	*			trans	-131	162	168.4	0	0	0	0	0	106.5	N275 K662	N275-G664 PolarHBondContact ND2-O 3.29Å; N275-G664 CarbonylContact O-C 3.19Å; N275-G664 VanDerWaalsContact OD1-C 3.27Å; N275-G664 PolarHBondContact OD1-N 2.85Å; N275-G664 PolarHBondContact OD1-O 3.22Å; K662-G664 VanDerWaalsContact CB-N 3.26Å
665	S	26.3	Very low	28	Very low	17 Å²	17	124.9 Å²	124.9	12%	0.119	65%	0.649	C	S	.	*			cis	-89.8	-146.3	36.6	-101.1	0	0	0	0	114.3	N275 S276 K662	N275-S665 CarbonylContact O-C 3.54Å; N275-S665 WeakPolarHBondContact O-CA 3.4Å; N275-S665 PolarHBondContact O-N 2.75Å; S276-S665 WeakPolarHBondContact CB-O 3.28Å; K662-S665 PolarHBondContact NZ-OG 2.78Å
666	V	30.3	Very low	27.5	Very low	79 Å²	79	126 Å²	126	48%	0.479	64%	0.641	S	S	.	*			cis	65.8	90.8	21.2	-170.4	0	0	0	0	114.3	Q274 S276	Q274-V666 PolarHBondContact OE1-O 3.01Å; S276-V666 VanDerWaalsContact CB-N 3.33Å
667	K	27.2	Very low	27.5	Very low	118 Å²	118	126 Å²	126	51%	0.513	64%	0.636	S	S	.	*			cis	-143.4	157	29.8	-34.3	84.9	-173.3	153.6	0	111	S276	S276-K667 WeakPolarHBondContact CB-O 3.35Å; S276-K667 PolarHBondContact OG-O 3.19Å
668	D	24.3	Very low	27.3	Very low	104 Å²	104	127.8 Å²	127.8	56%	0.556	64%	0.643	S	S	*	*				-128.3	139.6	57	-65.1	-43.3	0	0	0	117.3	S276 I278	S276-D668 PolarHBondContact OG-N 2.93Å; I278-D668 WeakPolarHBondContact CD1-O 3.11Å
669	V	26.4	Very low	27.4	Very low	93 Å²	93	125.3 Å²	125.3	56%	0.564	64%	0.639	S	S	*	*			trans	-150.2	127.4	164.9	172.3	0	0	0	0	105.8	M277 I278	M277-V669 HydrophobicContact CE-CG2 4.25Å; I278-V669 HydrophobicContact CD1-CG2 3.98Å
670	N	28.8	Very low	27.3	Very low	142 Å²	142	127.2 Å²	127.2	76%	0.759	64%	0.643	S	S	*	*			trans	70.9	111.6	-172.4	-48.9	-29.8	0	0	0	111.5
671	H	29.1	Very low	27.7	Very low	180 Å²	180	124.3 Å²	124.3	83%	0.833	63%	0.634	S	S	*	*			cis	53.9	142.6	37.6	-94.6	-43.7	0	0	0	112.5
672	P	31	Very low	27.7	Very low	115 Å²	115	124 Å²	124	75%	0.747	64%	0.637	S	S	*	*			cis	-105.1	-166.9	30.5	45.9	-38.2	0	0	0	111.2
673	E	29.7	Very low	27.4	Very low	166 Å²	166	124.7 Å²	124.7	78%	0.776	65%	0.647	S	S	*	*			cis	-156.3	150.4	45	-151.5	172.4	-156.5	0	0	113.8
674	C	29	Very low	27.5	Very low	105 Å²	105	117.1 Å²	117.1	71%	0.709	64%	0.641	S	S	*	*			trans	57.3	133.3	170.6	-68.5	0	0	0	0	119.5
675	L	29.9	Very low	27.3	Very low	144 Å²	144	122.4 Å²	122.4	75%	0.754	68%	0.677	S	S	*	*			cis	-150.2	176.7	-13.8	-123.2	175.4	0	0	0	109.8
676	K	24.2	Very low	27.2	Very low	148 Å²	148	126.2 Å²	126.2	64%	0.643	70%	0.704	S	S	*	*			trans	-87.9	176.4	-179.4	-33.3	159.7	-160	157.1	0	110.6
677	E	24.5	Very low	27.1	Very low	144 Å²	144	132.5 Å²	132.5	67%	0.673	72%	0.718	S	S	*	*			trans	65.6	143.8	161.3	-67.3	122.8	-150	0	0	112.9
678	E	26.5	Very low	27	Very low	168 Å²	168	132.8 Å²	132.8	79%	0.785	73%	0.726	S	S	*	*			cis	-151.8	-178.4	-5.7	-118.3	165.8	180	0	0	108.3
679	D	30.9	Very low	27.1	Very low	136 Å²	136	133.4 Å²	133.4	73%	0.727	73%	0.734	S	S	*	*			trans	55.9	117.6	166.6	-72.4	-36.4	0	0	0	121.8
680	S	25	Very low	27.1	Very low	98 Å²	98	135.2 Å²	135.2	69%	0.685	75%	0.745	S	S	*	*				74.1	150.8	66.5	-57.5	0	0	0	0	114.7
681	P	32.8	Very low	27.1	Very low	112 Å²	112	134.3 Å²	134.3	73%	0.727	75%	0.745	S	S	*	*			cis	-144.6	-171.3	-48.2	43.4	-26.3	0	0	0	114
682	M	24.9	Very low	27	Very low	157 Å²	157	129.7 Å²	129.7	77%	0.773	74%	0.737	S	S	*	*			trans	17.8	152.7	137.4	-64.2	-66.5	-157.8	0	0	124.1
683	D	24.4	Very low	26.9	Very low	156 Å²	156	130.9 Å²	130.9	83%	0.834	74%	0.737	S	S	*	*			trans	66.3	151.8	153.5	-64.9	-36	0	0	0	116.2
684	G	25.9	Very low	27	Very low	71 Å²	71	128.2 Å²	128.2	73%	0.732	73%	0.729	S	S	*	*			cis	101.6	123.1	32.1	0	0	0	0	0	107.2
685	S	22.9	Very low	27.1	Very low	118 Å²	118	131.2 Å²	131.2	83%	0.825	73%	0.73	S	S	*	*			cis	-169.3	168.5	44.2	-173.4	0	0	0	0	111.3
686	S	23.8	Very low	27.1	Very low	97 Å²	97	131.1 Å²	131.1	68%	0.678	73%	0.73	S	S	*	*			trans	61	126.5	148.4	-163.5	0	0	0	0	121
687	R	28.9	Very low	27.4	Very low	210 Å²	210	128.5 Å²	128.5	79%	0.792	73%	0.731	S	S	*	*				8.4	141.5	118.6	-81.4	-172.5	-169.6	151.1	-1.6	117.5
688	D	25.2	Very low	27.9	Very low	125 Å²	125	127 Å²	127	67%	0.668	74%	0.735	S	S	*	*			cis	-151	168.1	25.3	-98.5	-43.2	0	0	0	113.7
689	T	25.9	Very low	28.2	Very low	117 Å²	117	124 Å²	124	72%	0.718	73%	0.725	S	S	*	*			trans	37	115.1	154.6	56.2	0	0	0	0	120.4
690	T	26.8	Very low	28.3	Very low	130 Å²	130	118 Å²	118	80%	0.798	70%	0.696	S	S	*	*				-174	144.6	113.8	20.3	0	0	0	0	114.4
691	T	28.2	Very low	28.8	Very low	124 Å²	124	116.6 Å²	116.6	76%	0.761	69%	0.686	S	S	*	*			trans	40.7	95.7	134.2	-44.5	0	0	0	0	121.6
692	A	26.6	Very low	29	Very low	82 Å²	82	118.2 Å²	118.2	68%	0.678	69%	0.689	S	S	*	*				66.6	166.5	128.4	0	0	0	0	0	123
693	N	30.1	Very low	29.5	Very low	140 Å²	140	114.8 Å²	114.8	75%	0.749	68%	0.68	S	S	*	*			trans	75.7	104.6	154.5	-70.2	-19.9	0	0	0	121.8
694	N	30.9	Very low	30	Very low	111 Å²	111	111.3 Å²	111.3	59%	0.594	67%	0.668	S	S	*	*				76.5	107	120.2	-71.1	-44.7	0	0	0	122.2
695	K	30.9	Very low	30.2	Very low	167 Å²	167	112.6 Å²	112.6	73%	0.726	67%	0.666	S	S	*	*				75.2	129.3	112.1	-72.1	175.4	-175.4	175.6	0	121.7
696	N	30.3	Very low	30.6	Very low	142 Å²	142	113.9 Å²	113.9	76%	0.759	66%	0.663	S	S	*	*			trans	76.4	142.2	141.6	-61.3	13.1	0	0	0	118.5
697	S	30	Very low	30.8	Very low	94 Å²	94	114.3 Å²	114.3	66%	0.657	67%	0.666	S	S	*	*			cis	-168	158.4	-11.3	-94.8	0	0	0	0	112
698	S	34.6	Very low	30.8	Very low	111 Å²	111	110.2 Å²	110.2	78%	0.776	67%	0.67	S	S	*	*			trans	58.8	141	158	52	0	0	0	0	119.5
699	N	33	Very low	31.3	Very low	105 Å²	105	108.9 Å²	108.9	56%	0.561	67%	0.67	S	S	*	*			cis	-154.3	-177.2	-4.5	-125.6	52.4	0	0	0	108.1	N289 D291	N289-N699 PolarHBondContact ND2-O 2.7Å; D291-N699 PolarHBondContact OD2-ND2 2.7Å
700	G	33.3	Very low	31.5	Very low	12 Å²	12	112.5 Å²	112.5	12%	0.124	68%	0.676	C	S	.	*			cis	170.2	99.2	8.6	0	0	0	0	0	114.1	N289	N289-G700 WeakPolarHBondContact CB-O 3.42Å; N289-G700 VanDerWaalsContact CG-O 3.25Å; N289-G700 PolarHBondContact ND2-N 2.96Å; N289-G700 VanDerWaalsContact ND2-N 3.18Å; N289-G700 WeakPolarHBondContact OD1-CA 3.47Å; N289-G700 PolarHBondContact OD1-N 2.7Å; N289-G700 PolarHBondContact OD1-O 2.87Å
701	S	36.7	Very low	31.7	Very low	67 Å²	67	111.7 Å²	111.7	47%	0.469	68%	0.676	S	S	.	*			trans	80.4	126.7	149.7	-52.8	0	0	0	0	123.7	D291	D291-S701 WeakPolarHBondContact OD1-CB 3.26Å; D291-S701 PolarHBondContact OD1-OG 3.49Å
702	N	35.2	Very low	31.8	Very low	147 Å²	147	113.5 Å²	113.5	79%	0.786	68%	0.68	S	S	*	*			trans	68.5	149	135.2	-60.2	-5.9	0	0	0	122.8
703	S	35.4	Very low	31.9	Very low	85 Å²	85	114.4 Å²	114.4	59%	0.594	68%	0.681	S	S	*	*			cis	-168.9	164.3	-22.9	54.6	0	0	0	0	111.9
704	S	34.5	Very low	31.9	Very low	83 Å²	83	119.6 Å²	119.6	58%	0.58	69%	0.69	S	S	*	*			trans	43.8	121.4	157.9	43	0	0	0	0	121.5
705	S	31.2	Very low	31.9	Very low	98 Å²	98	122.6 Å²	122.6	69%	0.685	70%	0.703	S	S	*	*			cis	84.4	140.4	48.7	83.9	0	0	0	0	115.1
706	N	30.5	Very low	31.7	Very low	144 Å²	144	119 Å²	119	77%	0.77	70%	0.699	S	S	*	*			cis	-163.7	143.8	2.9	-140.4	-10.3	0	0	0	116.5
707	S	29.1	Very low	31.7	Very low	107 Å²	107	119.9 Å²	119.9	75%	0.748	70%	0.696	S	S	*	*			trans	60.2	155	141.4	74.1	0	0	0	0	124.7
708	S	27.9	Very low	32.1	Very low	123 Å²	123	120.8 Å²	120.8	86%	0.86	70%	0.7	S	S	*	*			trans	-139.7	159	155.6	60.7	0	0	0	0	110.4
709	S	35.8	Very low	31.5	Very low	98 Å²	98	117.3 Å²	117.3	69%	0.685	68%	0.681	S	S	*	*			trans	-99.1	158	-154.4	54.3	0	0	0	0	117.6
710	K	29.6	Very low	31.4	Very low	193 Å²	193	117.2 Å²	117.2	84%	0.839	68%	0.677	S	S	*	*			trans	-148.1	162.3	172.3	-85.9	-178.3	-179.3	171.6	0	110.6
711	S	32.8	Very low	31.1	Very low	113 Å²	113	119.5 Å²	119.5	79%	0.79	69%	0.691	S	S	*	*			trans	-130.5	156.4	179.2	54.6	0	0	0	0	112.2
712	L	29.3	Very low	30.6	Very low	162 Å²	162	125.5 Å²	125.5	85%	0.848	71%	0.709	S	S	*	*			trans	-177.8	108.4	156.7	-105.3	169.2	0	0	0	114.9
713	S	29.4	Very low	30.1	Very low	101 Å²	101	122.7 Å²	122.7	71%	0.706	70%	0.701	S	S	*	*			trans	37.9	137.4	139.2	71.6	0	0	0	0	125.8
714	R	30.2	Very low	29.7	Very low	248 Å²	248	126.5 Å²	126.5	94%	0.936	72%	0.715	S	S	*	*				111.7	150.9	128.9	-136.8	171.7	-166	169.8	4.2	118.8
715	M	30.7	Very low	29.4	Very low	175 Å²	175	125.8 Å²	125.8	86%	0.862	72%	0.72	S	S	*	*			trans	-115.1	171	-156.3	-55.6	169	77.7	0	0	115.9
716	S	26.9	Very low	29.5	Very low	91 Å²	91	127 Å²	127	64%	0.636	72%	0.724	S	S	*	*			trans	96.5	99	150.5	-55.7	0	0	0	0	120.8
717	F	29.9	Very low	29.6	Very low	161 Å²	161	124.5 Å²	124.5	71%	0.706	72%	0.717	S	S	*	*			trans	57	157.1	142.4	-56.4	-66.2	0	0	0	122	E761	F717-E761 WeakPolarHBondContact CE1-OE2 3.44Å; F717-E761 WeakPolarHBondContact CZ-OE2 3.44Å
718	P	37.7	Very low	29.8	Very low	112 Å²	112	126 Å²	126	73%	0.727	72%	0.717	S	S	*	*			cis	-135.8	153.1	-45.4	37.4	-21.7	0	0	0	115.3
719	G	22.7	Very low	30.1	Very low	38 Å²	38	128.2 Å²	128.2	39%	0.392	71%	0.711	S	S	.	*			trans	123.9	158.6	144	0	0	0	0	0	124.4	N622 A623	N622-G719 WeakPolarHBondContact O-CA 3.5Å; A623-G719 VanDerWaalsContact CB-C 3.46Å
720	H	30.4	Very low	29.8	Very low	104 Å²	104	131.7 Å²	131.7	48%	0.481	71%	0.714	S	S	.	*			trans	-108.9	134.5	161.2	-64.3	-44.8	0	0	0	108.1	S621 N622 A623	S621-H720 WeakPolarHBondContact O-CB 3.36Å; S621-H720 PolarHBondContact O-CD2 3.1Å; S621-H720 PolarHBondContact O-N 3.44Å; S621-H720 PolarHBondContact OG-CE1 3.2Å; S621-H720 PolarHBondContact OG-ND1 2.79Å; N622-H720 CarbonylContact C-O 3.56Å; N622-H720 VanDerWaalsContact C-O 3.27Å; N622-H720 WeakPolarHBondContact CA-O 3.48Å; N622-H720 PolarHBondContact OD1-O 3.43Å; A623-H720 WeakPolarHBondContact CB-O 3.14Å; A623-H720 PolarHBondContact N-O 3.3Å
721	S	25.9	Very low	29.8	Very low	59 Å²	59	128.3 Å²	128.3	41%	0.413	71%	0.71	S	S	.	*			trans	-151.8	158.6	156.5	76.9	0	0	0	0	116.1	A623 A624 S723	A623-S721 WeakPolarHBondContact O-CB 3.2Å; A623-S721 PolarHBondContact O-OG 3.34Å; A624-S721 PolarHBondContact O-OG 3.14Å; S721-S723 PolarHBondContact O-N 2.7Å
722	K	26.2	Very low	29.6	Very low	194 Å²	194	129.6 Å²	129.6	84%	0.843	71%	0.713	S	S	*	*	S	Bend	trans	-57.7	125.5	162.4	-63.1	168.8	-180	172.6	0	108.9
723	S	25.9	Very low	29.6	Very low	88 Å²	88	125.2 Å²	125.2	62%	0.615	71%	0.706	S	S	*	*	S	Bend	trans	81.7	123.7	158.6	78.9	0	0	0	0	120.3	S721	S721-S723 PolarHBondContact O-N 2.7Å
724	N	26.4	Very low	29.5	Very low	165 Å²	165	127 Å²	127	88%	0.882	71%	0.708	S	S	*	*			trans	57.8	118.9	134	-55.9	-15.4	0	0	0	120.7
725	G	29.1	Very low	29.3	Very low	67 Å²	67	121.1 Å²	121.1	69%	0.691	70%	0.695	S	S	*	*			trans	165.4	36.1	162.1	0	0	0	0	0	121.1
726	T	32.9	Very low	29	Very low	125 Å²	125	120.9 Å²	120.9	77%	0.767	69%	0.689	S	S	*	*			trans	47.4	90	168.1	53.4	0	0	0	0	117.3
727	S	32.8	Very low	28.9	Very low	90 Å²	90	121.7 Å²	121.7	63%	0.629	69%	0.686	S	S	*	*				76.8	112.4	78	74.5	0	0	0	0	117.6
728	N	33	Very low	28.6	Very low	139 Å²	139	121.4 Å²	121.4	74%	0.743	69%	0.687	S	S	*	*				70.4	149.1	124.8	-64.9	-28.1	0	0	0	120.5
729	K	35.1	Very low	27.9	Very low	169 Å²	169	120.6 Å²	120.6	74%	0.735	68%	0.684	S	S	*	*			cis	-157.3	148.4	-1.4	-124.2	173.5	-176	179.5	0	111.7
730	K	29.4	Very low	28	Very low	171 Å²	171	125.9 Å²	125.9	74%	0.743	71%	0.709	S	S	*	*				31.6	121.4	129.2	-75	-170.1	175.9	-173.2	0	119.8
731	T	29.3	Very low	27.7	Very low	123 Å²	123	130.7 Å²	130.7	76%	0.755	73%	0.729	S	S	*	*				62.1	149.1	85	68.4	0	0	0	0	114.6
732	T	28.3	Very low	27.6	Very low	140 Å²	140	132.3 Å²	132.3	86%	0.859	74%	0.74	S	S	*	*			cis	-139.1	171.7	24.3	46.9	0	0	0	0	111.4
733	G	30	Very low	27.6	Very low	69 Å²	69	128 Å²	128	71%	0.711	74%	0.735	S	S	*	*			cis	165.8	-168.1	-3.8	0	0	0	0	0	112
734	N	27.4	Very low	27.5	Very low	140 Å²	140	129.4 Å²	129.4	75%	0.749	74%	0.744	S	S	*	*			trans	81.5	141.3	167.8	-110.8	-7.3	0	0	0	121.6
735	L	26.1	Very low	27.7	Very low	124 Å²	124	127.9 Å²	127.9	65%	0.649	74%	0.741	S	S	*	*			trans	61.3	129.8	156.3	-94	73.1	0	0	0	123.6
736	K	23.5	Very low	28.7	Very low	169 Å²	169	130.2 Å²	130.2	74%	0.735	74%	0.744	S	S	*	*			trans	87.2	131.5	131	-85.1	-171.5	169.5	-178.4	0	123.1
737	D	24.5	Very low	28.8	Very low	108 Å²	108	129.5 Å²	129.5	58%	0.578	74%	0.742	S	S	*	*			trans	62.7	125.4	131.8	-74.2	-57.6	0	0	0	122.3
738	Q	24.2	Very low	28.6	Very low	155 Å²	155	134 Å²	134	72%	0.724	76%	0.757	S	S	*	*			trans	69.8	89.3	130.3	-65.1	171.8	54.9	0	0	119
739	S	22.5	Very low	28.2	Very low	96 Å²	96	130.1 Å²	130.1	67%	0.671	75%	0.751	S	S	*	*				73	115.4	117.8	70	0	0	0	0	119.4
740	T	25.6	Very low	27.9	Very low	148 Å²	148	130.3 Å²	130.3	91%	0.908	75%	0.754	S	S	*	*				-121.7	117.3	123.8	44.3	0	0	0	0	108.7
741	F	24.8	Very low	27.9	Very low	206 Å²	206	128.4 Å²	128.4	90%	0.904	76%	0.756	S	S	*	*			trans	-130.8	124.2	174.9	-111.8	-65.3	0	0	0	109.7
742	S	23.6	Very low	27.8	Very low	93 Å²	93	129.7 Å²	129.7	65%	0.65	76%	0.756	S	S	*	*			trans	-159.7	122.7	158.1	47.6	0	0	0	0	110.6
743	S	25.7	Very low	27.8	Very low	104 Å²	104	126.3 Å²	126.3	73%	0.727	75%	0.748	S	S	*	*			trans	42.8	135.7	149.8	54.6	0	0	0	0	120.8
744	S	23.6	Very low	27.9	Very low	116 Å²	116	134.4 Å²	134.4	81%	0.811	76%	0.757	S	S	*	*			cis	-170.4	162.5	3.4	40.4	0	0	0	0	111.9
745	T	31.4	Very low	27.9	Very low	134 Å²	134	134.2 Å²	134.2	82%	0.822	76%	0.756	S	S	*	*			trans	-101.1	179.5	-175	36.9	0	0	0	0	114.3
746	P	48.2	Very low	28.1	Very low	116 Å²	116	138 Å²	138	75%	0.753	77%	0.768	S	S	*	*			cis	-112.8	-98.6	-27.8	28.6	-7.5	0	0	0	110.6
747	P	36.6	Very low	28.5	Very low	110 Å²	110	136.7 Å²	136.7	71%	0.714	77%	0.769	S	S	*	*			cis	-130.6	131.9	-13	35.8	-14.6	0	0	0	118
748	L	27.3	Very low	29.1	Very low	183 Å²	183	139.3 Å²	139.3	96%	0.958	78%	0.783	S	S	*	*			trans	51.6	126.8	141.8	-132.3	77.9	0	0	0	123.9
749	G	25.8	Very low	29.7	Very low	59 Å²	59	139.1 Å²	139.1	61%	0.608	78%	0.782	S	S	*	*			trans	150.7	118.6	146.1	0	0	0	0	0	116.9
750	H	28.3	Very low	30.4	Very low	172 Å²	172	137 Å²	137	80%	0.796	78%	0.776	S	S	*	*			trans	-62.5	146.9	172.6	-60.3	-59.8	0	0	0	113.5
751	V	28.7	Very low	31.1	Very low	132 Å²	132	136.7 Å²	136.7	80%	0.8	76%	0.764	S	S	*	*			trans	-141.7	122.7	132.4	177.2	0	0	0	0	106.6
752	M	28	Very low	32	Very low	150 Å²	150	129.9 Å²	129.9	74%	0.739	74%	0.741	S	S	*	*			trans	-91.6	150.2	159.7	-152.4	-149.7	-136	0	0	107.7	D897	M752-D897 VanDerWaalsContact CE-OD2 3.3Å; M752-D897 WeakPolarHBondContact CE-OD2 3.28Å
753	G	28.7	Very low	33	Very low	68 Å²	68	130 Å²	130	70%	0.701	74%	0.735	S	S	*	*			trans	124.5	67.6	-178.2	0	0	0	0	0	114
754	R	30.7	Very low	34	Very low	239 Å²	239	129.7 Å²	129.7	90%	0.902	72%	0.724	S	S	*	*			trans	-130.4	143.4	144.3	-88.6	-167.4	164.6	-166.9	-9.2	108.5
755	N	28	Very low	35.4	Very low	136 Å²	136	127.2 Å²	127.2	73%	0.727	71%	0.707	S	S	*	*			trans	-41.4	145.5	-169.5	-48.6	6.9	0	0	0	114.5	D757	N755-D757 PolarHBondContact O-N 2.98Å
756	F	29.6	Very low	36.4	Very low	205 Å²	205	124.9 Å²	124.9	90%	0.899	69%	0.69	S	S	*	*	S	Bend	trans	-55.4	118.6	144.1	-59.8	-92.6	0	0	0	107.5
757	D	32.3	Very low	37.1	Very low	141 Å²	141	122 Å²	122	75%	0.754	68%	0.675	S	S	*	*			trans	172.6	50.3	165.9	-87.3	-28.7	0	0	0	108.9	N755	N755-D757 PolarHBondContact O-N 2.98Å
758	D	38	Very low	38.4	Very low	162 Å²	162	121.8 Å²	121.8	87%	0.866	67%	0.668	S	S	*	*			trans	-168.3	65.8	172.4	-103	-28.4	0	0	0	110	G760	D758-G760 PolarHBondContact O-N 2.68Å
759	E	36.3	Very low	40.2	Very low	152 Å²	152	117.4 Å²	117.4	71%	0.71	65%	0.646	S	S	*	*			trans	-68.9	118.3	169.9	-82.7	-83.8	166.8	0	0	110.1
760	G	38	Very low	42.4	Very low	52 Å²	52	117.4 Å²	117.4	54%	0.536	63%	0.632	S	S	.	*	S	Bend	trans	175.5	101.8	177.9	0	0	0	0	0	117	D758 S762	D758-G760 PolarHBondContact O-N 2.68Å; G760-S762 PolarHBondContact O-N 2.68Å
761	E	40.2	Very low	44.5	Very low	141 Å²	141	111.4 Å²	111.4	66%	0.659	61%	0.612	S	S	*	*	S	Bend	trans	57.9	-35.5	169.7	-66.4	-169.6	137.6	0	0	119.2	F717 D763 S765	F717-E761 WeakPolarHBondContact CE1-OE2 3.44Å; F717-E761 WeakPolarHBondContact CZ-OE2 3.44Å; E761-D763 VanDerWaalsContact C-N 3.33Å; E761-D763 PolarHBondContact O-N 2.7Å; E761-S765 PolarHBondContact O-N 3Å
762	S	43.3	Very low	46.6	Very low	62 Å²	62	110.1 Å²	110.1	43%	0.434	60%	0.597	S	S	.	*	H	α-helix	trans	-62	-42.3	-177.7	56.9	0	0	0	0	112.4	G760 S765 N766	G760-S762 PolarHBondContact O-N 2.68Å; S762-S765 WeakPolarHBondContact O-CB 3.38Å; S762-S765 PolarHBondContact O-N 3.16Å; S762-S765 VanDerWaalsContact O-N 3.17Å; S762-N766 PolarHBondContact O-N 3.19Å; S762-N766 PolarHBondContact O-ND2 2.89Å
763	D	44.7	Very low	48.7	Very low	97 Å²	97	105.4 Å²	105.4	52%	0.519	57%	0.574	S	S	.	*	H	α-helix	trans	-85.4	-22.7	-165.6	-65.2	3.7	0	0	0	111.2	E761 A767	E761-D763 VanDerWaalsContact C-N 3.33Å; E761-D763 PolarHBondContact O-N 2.7Å; D763-A767 WeakPolarHBondContact O-CB 3.28Å; D763-A767 PolarHBondContact O-N 3.49Å
764	L	46.3	Very low	51.2	Low	96 Å²	96	102.3 Å²	102.3	50%	0.503	54%	0.542	S	S	.	.	H	α-helix	trans	-68.4	-33.1	163.8	-85.5	162.9	0	0	0	112.7	N768	L764-N768 WeakPolarHBondContact O-CB 3.46Å; L764-N768 PolarHBondContact O-N 3.4Å; L764-N768 PolarHBondContact O-ND2 3.19Å
765	S	52.2	Low	53.6	Low	64 Å²	64	93.7 Å²	93.7	45%	0.448	52%	0.518	S	S	.	.	H	α-helix	trans	-65.6	-54	170.4	-167	0	0	0	0	109.8	E761 S762 A767 N768 D769	E761-S765 PolarHBondContact O-N 3Å; S762-S765 WeakPolarHBondContact O-CB 3.38Å; S762-S765 PolarHBondContact O-N 3.16Å; S762-S765 VanDerWaalsContact O-N 3.17Å; S765-A767 VanDerWaalsContact C-N 3.32Å; S765-A767 PolarHBondContact O-N 3.18Å; S765-N768 PolarHBondContact O-N 3.47Å; S765-N768 VanDerWaalsContact O-N 3.17Å; S765-D769 PolarHBondContact O-N 3.41Å; S765-D769 PolarHBondContact OG-OD2 2.84Å
766	N	54.1	Low	56	Low	86 Å²	86	88.7 Å²	88.7	46%	0.46	49%	0.49	S	S	.	.	H	α-helix	trans	-58.9	-41.4	-178.3	-64.1	-36.8	0	0	0	112	S762 D769 L770	S762-N766 PolarHBondContact O-N 3.19Å; S762-N766 PolarHBondContact O-ND2 2.89Å; N766-D769 PolarHBondContact O-N 2.89Å; N766-L770 VanDerWaalsContact O-CB 3.3Å; N766-L770 WeakPolarHBondContact O-CB 3.06Å; N766-L770 WeakPolarHBondContact O-CG 3.39Å; N766-L770 PolarHBondContact O-N 3.41Å
767	A	61.3	Low	58.7	Low	54 Å²	54	79 Å²	79	45%	0.446	45%	0.448	S	S	.	.	H	α-helix	trans	-67.3	-38.5	178	0	0	0	0	0	112.8	D763 S765 A771	D763-A767 WeakPolarHBondContact O-CB 3.28Å; D763-A767 PolarHBondContact O-N 3.49Å; S765-A767 VanDerWaalsContact C-N 3.32Å; S765-A767 PolarHBondContact O-N 3.18Å; A767-A771 VanDerWaalsContact O-CB 3.24Å; A767-A771 WeakPolarHBondContact O-CB 3.49Å; A767-A771 PolarHBondContact O-N 2.81Å
768	N	65.2	Low	60.9	Low	107 Å²	107	77.3 Å²	77.3	57%	0.572	44%	0.439	S	S	*	.	H	α-helix	trans	-68.7	-40.1	174	-79.5	-62	0	0	0	111.8	L764 S765 A771 H772	L764-N768 WeakPolarHBondContact O-CB 3.46Å; L764-N768 PolarHBondContact O-N 3.4Å; L764-N768 PolarHBondContact O-ND2 3.19Å; S765-N768 PolarHBondContact O-N 3.47Å; S765-N768 VanDerWaalsContact O-N 3.17Å; N768-A771 PolarHBondContact O-N 3.43Å; N768-H772 WeakPolarHBondContact O-CB 3.44Å; N768-H772 PolarHBondContact O-N 2.84Å
769	D	65.5	Low	63.1	Low	91 Å²	91	71.7 Å²	71.7	49%	0.487	41%	0.412	S	S	.	.	H	α-helix	trans	-65.1	-40.4	175.7	-68.1	-37.8	0	0	0	111.3	S765 N766 L773	S765-D769 PolarHBondContact O-N 3.41Å; S765-D769 PolarHBondContact OG-OD2 2.84Å; N766-D769 PolarHBondContact O-N 2.89Å; D769-L773 WeakPolarHBondContact O-CB 3.37Å; D769-L773 VanDerWaalsContact O-CG 3.26Å; D769-L773 WeakPolarHBondContact O-CG 3.41Å; D769-L773 PolarHBondContact O-N 3.16Å
770	L	72	Confident	65.5	Low	59 Å²	59	64.5 Å²	64.5	31%	0.309	38%	0.379	S	S	.	.	H	α-helix	trans	-66.9	-42	173.4	-73.1	168.2	0	0	0	112.3	N766 L773 S774 I892	N766-L770 VanDerWaalsContact O-CB 3.3Å; N766-L770 WeakPolarHBondContact O-CB 3.06Å; N766-L770 WeakPolarHBondContact O-CG 3.39Å; N766-L770 PolarHBondContact O-N 3.41Å; L770-L773 CarbonylContact O-C 3.56Å; L770-L773 PolarHBondContact O-N 2.68Å; L770-S774 WeakPolarHBondContact O-CB 3.23Å; L770-S774 PolarHBondContact O-N 3.07Å; L770-I892 HydrophobicContact CD2-CG2 4.08Å; L770-I892 WeakPolarHBondContact O-CG2 3.29Å
771	A	72.2	Confident	67.6	Low	45 Å²	45	65.6 Å²	65.6	37%	0.372	38%	0.375	S	S	.	.	H	α-helix	trans	-65.5	-41.2	176.6	0	0	0	0	0	112	A767 N768 S774 S775	A767-A771 VanDerWaalsContact O-CB 3.24Å; A767-A771 WeakPolarHBondContact O-CB 3.49Å; A767-A771 PolarHBondContact O-N 2.81Å; N768-A771 PolarHBondContact O-N 3.43Å; A771-S774 WeakPolarHBondContact O-CB 3.36Å; A771-S774 PolarHBondContact O-N 3.31Å; A771-S775 PolarHBondContact O-N 3.02Å
772	H	71	Confident	69.7	Low	105 Å²	105	61.7 Å²	61.7	49%	0.486	36%	0.363	S	S	.	.	H	α-helix	trans	-60	-51.5	171.6	-172.1	-73.9	0	0	0	110.8	N768 S774 S775 E776	N768-H772 WeakPolarHBondContact O-CB 3.44Å; N768-H772 PolarHBondContact O-N 2.84Å; H772-S774 PolarHBondContact O-N 3.33Å; H772-S775 PolarHBondContact O-N 3.3Å; H772-S775 VanDerWaalsContact O-N 3.16Å; H772-S775 PolarHBondContact O-OG 2.9Å; H772-E776 IonicContact CE1-OE1 3.5Å; H772-E776 IonicContact ND1-OE1 2.66Å; H772-E776 PolarHBondContact O-N 3.36Å
773	L	73.2	Confident	71.8	Confident	51 Å²	51	58.7 Å²	58.7	27%	0.267	34%	0.343	S	S	.	.	H	α-helix	trans	-59.9	-31	175.3	-76.3	168.2	0	0	0	113.3	D769 L770 F777 I892 F907	D769-L773 WeakPolarHBondContact O-CB 3.37Å; D769-L773 VanDerWaalsContact O-CG 3.26Å; D769-L773 WeakPolarHBondContact O-CG 3.41Å; D769-L773 PolarHBondContact O-N 3.16Å; L770-L773 CarbonylContact O-C 3.56Å; L770-L773 PolarHBondContact O-N 2.68Å; L773-F777 WeakPolarHBondContact O-CD2 3.47Å; L773-I892 HydrophobicContact CB-CG2 4.15Å; L773-F907 HydrophobicContact CD2-CD2 4.01Å; L773-F907 HydrophobicContact CD2-CE2 3.91Å
774	S	81.4	Confident	73.9	Confident	4 Å²	4	54.3 Å²	54.3	3%	0.028	32%	0.319	C	S	.	.	H	α-helix	trans	-69.2	-47.4	173	174.9	0	0	0	0	111.4	L770 A771 H772 E776 F777 A889 N893	L770-S774 WeakPolarHBondContact O-CB 3.23Å; L770-S774 PolarHBondContact O-N 3.07Å; A771-S774 WeakPolarHBondContact O-CB 3.36Å; A771-S774 PolarHBondContact O-N 3.31Å; H772-S774 PolarHBondContact O-N 3.33Å; S774-E776 PolarHBondContact O-N 3.39Å; S774-E776 VanDerWaalsContact O-N 3.14Å; S774-F777 CarbonylContact O-C 3.59Å; S774-F777 WeakPolarHBondContact O-CA 3.5Å; S774-F777 PolarHBondContact O-N 2.81Å; S774-A889 WeakPolarHBondContact OG-CB 3.49Å; S774-A889 PolarHBondContact OG-O 3.24Å; S774-N893 WeakPolarHBondContact CB-ND2 3.43Å; S774-N893 WeakPolarHBondContact CB-OD1 3.43Å; S774-N893 PolarHBondContact OG-ND2 3.37Å; S774-N893 PolarHBondContact OG-OD1 3.44Å
775	S	80.3	Confident	75.8	Confident	57 Å²	57	53.8 Å²	53.8	40%	0.399	32%	0.317	S	S	.	.	H	α-helix	trans	-57.7	-29.9	-179.2	72.5	0	0	0	0	112.6	A771 H772 F777 D778	A771-S775 PolarHBondContact O-N 3.02Å; H772-S775 PolarHBondContact O-N 3.3Å; H772-S775 VanDerWaalsContact O-N 3.16Å; H772-S775 PolarHBondContact O-OG 2.9Å; S775-F777 PolarHBondContact O-N 3.28Å; S775-F777 VanDerWaalsContact O-N 3.09Å; S775-D778 WeakPolarHBondContact CA-OD2 3.32Å; S775-D778 PolarHBondContact O-N 3.33Å; S775-D778 VanDerWaalsContact O-N 3.13Å
776	E	80	Confident	77.5	Confident	31 Å²	31	51.5 Å²	51.5	15%	0.145	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-13.1	174.4	-73.9	-146.7	-116.4	0	0	114.1	H772 S774 K789 F907	H772-E776 IonicContact CE1-OE1 3.5Å; H772-E776 IonicContact ND1-OE1 2.66Å; H772-E776 PolarHBondContact O-N 3.36Å; S774-E776 PolarHBondContact O-N 3.39Å; S774-E776 VanDerWaalsContact O-N 3.14Å; E776-K789 VanDerWaalsContact CB-NZ 3.33Å; E776-K789 WeakPolarHBondContact O-CD 3.01Å; E776-K789 PolarHBondContact O-NZ 3.02Å; E776-K789 WeakPolarHBondContact OE2-CE 3.37Å; E776-K789 IonicContact OE2-NZ 2.64Å; E776-K789 PolarHBondContact OE2-NZ 3.45Å; E776-F907 VanDerWaalsContact OE1-CD2 3.31Å; E776-F907 WeakPolarHBondContact OE1-CD2 3.42Å; E776-F907 WeakPolarHBondContact OE2-CB 3.07Å
777	F	84.9	Confident	79.1	Confident	1 Å²	1	47.4 Å²	47.4	0%	0.004	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	17.1	175.6	-71	-93.6	0	0	0	113.7	L773 S774 S775 S779 V783 K789 M792 F793 V885 L888 I892 F907	L773-F777 WeakPolarHBondContact O-CD2 3.47Å; S774-F777 CarbonylContact O-C 3.59Å; S774-F777 WeakPolarHBondContact O-CA 3.5Å; S774-F777 PolarHBondContact O-N 2.81Å; S775-F777 PolarHBondContact O-N 3.28Å; S775-F777 VanDerWaalsContact O-N 3.09Å; F777-S779 VanDerWaalsContact C-N 3.3Å; F777-S779 PolarHBondContact O-N 2.73Å; F777-V783 HydrophobicContact CB-CG2 4.14Å; F777-V783 HydrophobicContact CD1-CB 4.42Å; F777-V783 HydrophobicContact CD1-CG1 4.02Å; F777-V783 HydrophobicContact CD1-CG2 3.46Å; F777-V783 VanDerWaalsContact CD1-CG2 3.46Å; F777-V783 HydrophobicContact CE1-CG1 4.05Å; F777-V783 HydrophobicContact CE1-CG2 4.16Å; F777-V783 HydrophobicContact CG-CG2 4.07Å; F777-K789 HydrophobicContact CE1-CB 4.15Å; F777-K789 HydrophobicContact CZ-CB 4.25Å; F777-K789 HydrophobicContact CZ-CG 4.42Å; F777-M792 HydrophobicContact CE2-CE 4.15Å; F777-M792 HydrophobicContact CZ-CB 4.1Å; F777-M792 HydrophobicContact CZ-CE 3.96Å; F777-F793 HydrophobicContact CE1-CB 4.46Å; F777-V885 WeakPolarHBondContact O-CG1 3.46Å; F777-L888 HydrophobicContact CD1-CD2 3.59Å; F777-L888 HydrophobicContact CD1-CG 4.37Å; F777-L888 HydrophobicContact CE1-CD2 3.7Å; F777-L888 HydrophobicContact CG-CD2 4.22Å; F777-L888 HydrophobicContact CZ-CD2 4.4Å; F777-I892 HydrophobicContact CD2-CD1 4.04Å; F777-I892 HydrophobicContact CE2-CD1 4.43Å; F777-F907 AromaticContact CE2-CE2 3.98Å; F777-F907 HydrophobicContact CE2-CE2 3.98Å; F777-F907 AromaticContact CE2-CZ 3.81Å; F777-F907 HydrophobicContact CE2-CZ 3.81Å; F777-F907 AromaticContact CZ-CZ 3.89Å; F777-F907 HydrophobicContact CZ-CZ 3.89Å
778	D	78.6	Confident	80.3	Confident	106 Å²	106	44.9 Å²	44.9	57%	0.567	26%	0.258	S	S	*	.	S	Bend	trans	-64.5	-26.6	-176.5	-75.8	-20.2	0	0	0	115.2	S775	S775-D778 WeakPolarHBondContact CA-OD2 3.32Å; S775-D778 PolarHBondContact O-N 3.33Å; S775-D778 VanDerWaalsContact O-N 3.13Å
779	S	84.6	Confident	81.4	Confident	44 Å²	44	40.9 Å²	40.9	31%	0.308	24%	0.236	S	C	.	.			trans	-130.7	132.7	-178.1	179.1	0	0	0	0	112.8	F777 T781 S782 V783	F777-S779 VanDerWaalsContact C-N 3.3Å; F777-S779 PolarHBondContact O-N 2.73Å; S779-T781 PolarHBondContact O-N 2.81Å; S779-T781 PolarHBondContact OG-N 2.78Å; S779-S782 WeakPolarHBondContact O-CB 3.47Å; S779-S782 PolarHBondContact O-N 3.39Å; S779-V783 WeakPolarHBondContact O-CG2 3.2Å; S779-V783 PolarHBondContact O-N 3.03Å; S779-V783 VanDerWaalsContact O-N 3.13Å
780	A	85.9	Confident	82.6	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-53.3	-41.3	175.5	0	0	0	0	0	112.2	S782 V783 L784 I881 E882 V885	A780-S782 VanDerWaalsContact C-N 3.31Å; A780-S782 PolarHBondContact O-N 3.43Å; A780-V783 PolarHBondContact O-N 3.16Å; A780-L784 HydrophobicContact CB-CD1 4.41Å; A780-L784 VanDerWaalsContact O-CB 3.29Å; A780-L784 WeakPolarHBondContact O-CB 3.43Å; A780-L784 WeakPolarHBondContact O-CD1 3.39Å; A780-L784 WeakPolarHBondContact O-CG 3.44Å; A780-L784 PolarHBondContact O-N 2.78Å; A780-I881 HydrophobicContact CB-CB 4.45Å; A780-I881 HydrophobicContact CB-CG2 3.95Å; A780-E882 HydrophobicContact CB-CB 3.97Å; A780-E882 HydrophobicContact CB-CG 4.38Å; A780-V885 HydrophobicContact CB-CG2 4.49Å
781	T	83.7	Confident	83.4	Confident	75 Å²	75	33.8 Å²	33.8	46%	0.46	20%	0.198	S	C	.	.	H	α-helix	trans	-66.3	-32.7	-178.6	-49.1	0	0	0	0	112.2	S779 N785	S779-T781 PolarHBondContact O-N 2.81Å; S779-T781 PolarHBondContact OG-N 2.78Å; T781-N785 WeakPolarHBondContact O-CB 3.42Å; T781-N785 PolarHBondContact O-N 3.2Å; T781-N785 PolarHBondContact O-ND2 2.81Å
782	S	83	Confident	84.1	Confident	59 Å²	59	31.8 Å²	31.8	41%	0.413	18%	0.181	S	C	.	.	H	α-helix	trans	-69.5	-50.1	174	-174.3	0	0	0	0	110.8	S779 A780 L784 N785 S786	S779-S782 WeakPolarHBondContact O-CB 3.47Å; S779-S782 PolarHBondContact O-N 3.39Å; A780-S782 VanDerWaalsContact C-N 3.31Å; A780-S782 PolarHBondContact O-N 3.43Å; S782-L784 VanDerWaalsContact C-N 3.32Å; S782-L784 PolarHBondContact O-N 2.93Å; S782-N785 PolarHBondContact O-N 3.3Å; S782-S786 PolarHBondContact O-N 3.06Å
783	V	88.2	Confident	85	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60	-39.4	179.6	175.6	0	0	0	0	112.1	F777 S779 A780 K789 C790 F793 V885	F777-V783 HydrophobicContact CB-CG2 4.14Å; F777-V783 HydrophobicContact CD1-CB 4.42Å; F777-V783 HydrophobicContact CD1-CG1 4.02Å; F777-V783 HydrophobicContact CD1-CG2 3.46Å; F777-V783 VanDerWaalsContact CD1-CG2 3.46Å; F777-V783 HydrophobicContact CE1-CG1 4.05Å; F777-V783 HydrophobicContact CE1-CG2 4.16Å; F777-V783 HydrophobicContact CG-CG2 4.07Å; S779-V783 WeakPolarHBondContact O-CG2 3.2Å; S779-V783 PolarHBondContact O-N 3.03Å; S779-V783 VanDerWaalsContact O-N 3.13Å; A780-V783 PolarHBondContact O-N 3.16Å; V783-K789 HydrophobicContact CB-CB 4.44Å; V783-K789 HydrophobicContact CG1-CB 4.18Å; V783-C790 WeakPolarHBondContact O-CA 3.04Å; V783-C790 WeakPolarHBondContact O-CB 3.3Å; V783-C790 PolarHBondContact O-N 3.35Å; V783-C790 VanDerWaalsContact O-N 3.08Å; V783-F793 HydrophobicContact CG1-CB 3.81Å; V783-F793 HydrophobicContact CG1-CD1 4.4Å; V783-F793 HydrophobicContact CG1-CG 4.19Å; V783-V885 HydrophobicContact CG1-CG2 4.47Å; V783-V885 HydrophobicContact CG2-CG1 4Å
784	L	88.3	Confident	85.8	Confident	4 Å²	4	24.4 Å²	24.4	2%	0.021	15%	0.145	C	C	.	.	H	α-helix	trans	-77	-20.9	-179.9	-69.8	165.1	0	0	0	113.7	A780 S782 T807 I811 L878 I881 Y978	A780-L784 HydrophobicContact CB-CD1 4.41Å; A780-L784 VanDerWaalsContact O-CB 3.29Å; A780-L784 WeakPolarHBondContact O-CB 3.43Å; A780-L784 WeakPolarHBondContact O-CD1 3.39Å; A780-L784 WeakPolarHBondContact O-CG 3.44Å; A780-L784 PolarHBondContact O-N 2.78Å; S782-L784 VanDerWaalsContact C-N 3.32Å; S782-L784 PolarHBondContact O-N 2.93Å; L784-T807 HydrophobicContact CD2-CG2 4.02Å; L784-I811 HydrophobicContact CD2-CD1 4.48Å; L784-I811 HydrophobicContact CD2-CG1 4.36Å; L784-L878 HydrophobicContact CD1-CD2 3.73Å; L784-I881 HydrophobicContact CD1-CD1 4.17Å; L784-I881 HydrophobicContact CD1-CG2 4.16Å; L784-Y978 VanDerWaalsContact O-CE1 3.31Å; L784-Y978 WeakPolarHBondContact O-CE1 3.11Å; L784-Y978 PolarHBondContact O-OH 3.14Å
785	N	86	Confident	86.1	Confident	86 Å²	86	24.2 Å²	24.2	46%	0.46	14%	0.144	S	C	.	.	H	α-helix	trans	-83.1	-37.1	177.9	-86.2	-52.8	0	0	0	112.9	T781 S782	T781-N785 WeakPolarHBondContact O-CB 3.42Å; T781-N785 PolarHBondContact O-N 3.2Å; T781-N785 PolarHBondContact O-ND2 2.81Å; S782-N785 PolarHBondContact O-N 3.3Å
786	S	87.3	Confident	86.4	Confident	16 Å²	16	21.7 Å²	21.7	11%	0.112	13%	0.126	C	C	.	.	S	Bend	trans	-79.5	126.1	173.2	168	0	0	0	0	111.2	S782 A788 K789 C790 E916	S782-S786 PolarHBondContact O-N 3.06Å; S786-A788 VanDerWaalsContact C-N 3.29Å; S786-A788 PolarHBondContact O-N 2.88Å; S786-A788 PolarHBondContact OG-N 3.31Å; S786-K789 PolarHBondContact OG-N 3.24Å; S786-C790 VanDerWaalsContact O-CB 3.24Å; S786-C790 WeakPolarHBondContact O-CB 3.31Å; S786-C790 PolarHBondContact O-N 3.42Å; S786-E916 WeakPolarHBondContact CB-OE1 3.41Å; S786-E916 PolarHBondContact OG-OE1 3.25Å
787	P	87.8	Confident	86.7	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.3	-38.2	171.8	-17.5	27.5	0	0	0	112.6	A791 K913 E916 L917 F920 Y978	P787-A791 VanDerWaalsContact O-CB 3.29Å; P787-A791 WeakPolarHBondContact O-CB 3.17Å; P787-A791 PolarHBondContact O-N 3.07Å; P787-K913 HydrophobicContact CG-CG 4.49Å; P787-E916 HydrophobicContact CB-CB 3.99Å; P787-E916 WeakPolarHBondContact CD-OE1 3.37Å; P787-E916 WeakPolarHBondContact CD-OE2 3.34Å; P787-E916 HydrophobicContact CG-CB 3.88Å; P787-L917 HydrophobicContact CG-CG 4.41Å; P787-F920 HydrophobicContact CB-CB 4.27Å; P787-F920 WeakPolarHBondContact O-CD2 3.35Å; P787-Y978 HydrophobicContact CB-CD1 4.11Å; P787-Y978 HydrophobicContact CB-CD2 4.47Å; P787-Y978 HydrophobicContact CB-CG 4Å; P787-Y978 HydrophobicContact CG-CD1 3.72Å; P787-Y978 HydrophobicContact CG-CE1 4.49Å; P787-Y978 HydrophobicContact CG-CG 3.96Å
788	A	87.6	Confident	86.8	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-67.8	-46.7	-177.7	0	0	0	0	0	111.8	S786 A791 M792 F907 F910 E916 C919	S786-A788 VanDerWaalsContact C-N 3.29Å; S786-A788 PolarHBondContact O-N 2.88Å; S786-A788 PolarHBondContact OG-N 3.31Å; A788-A791 PolarHBondContact O-N 2.97Å; A788-M792 PolarHBondContact O-N 3.09Å; A788-M792 VanDerWaalsContact O-N 3.09Å; A788-F907 HydrophobicContact CB-CD1 4.31Å; A788-F907 HydrophobicContact CB-CE1 4.19Å; A788-F910 HydrophobicContact CB-CD2 4.16Å; A788-F910 HydrophobicContact CB-CE2 3.71Å; A788-F910 HydrophobicContact CB-CZ 4.14Å; A788-E916 HydrophobicContact CB-CB 4.12Å; A788-E916 HydrophobicContact CB-CG 4.29Å; A788-C919 HydrophobicContact CB-CB 4.18Å
789	K	88.4	Confident	86.8	Confident	24 Å²	24	17.6 Å²	17.6	10%	0.104	11%	0.109	C	C	.	.	H	α-helix	trans	-66.3	-42.9	178.4	-62	-176.1	175.5	-164.4	0	111.7	E776 F777 V783 S786 A791 M792 F793 F907	E776-K789 VanDerWaalsContact CB-NZ 3.33Å; E776-K789 WeakPolarHBondContact O-CD 3.01Å; E776-K789 PolarHBondContact O-NZ 3.02Å; E776-K789 WeakPolarHBondContact OE2-CE 3.37Å; E776-K789 IonicContact OE2-NZ 2.64Å; E776-K789 PolarHBondContact OE2-NZ 3.45Å; F777-K789 HydrophobicContact CE1-CB 4.15Å; F777-K789 HydrophobicContact CZ-CB 4.25Å; F777-K789 HydrophobicContact CZ-CG 4.42Å; V783-K789 HydrophobicContact CB-CB 4.44Å; V783-K789 HydrophobicContact CG1-CB 4.18Å; S786-K789 PolarHBondContact OG-N 3.24Å; K789-A791 VanDerWaalsContact C-N 3.33Å; K789-A791 PolarHBondContact O-N 2.95Å; K789-M792 PolarHBondContact O-N 2.95Å; K789-F793 WeakPolarHBondContact O-CB 3.42Å; K789-F793 PolarHBondContact O-N 3.5Å; K789-F907 HydrophobicContact CG-CD1 4.04Å; K789-F907 HydrophobicContact CG-CE1 3.59Å; K789-F907 HydrophobicContact CG-CZ 4.08Å
790	C	90.8	Very high	86.5	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.7	-41.6	174.1	-175	0	0	0	0	112.2	V783 S786 F793 I794 Y978	V783-C790 WeakPolarHBondContact O-CA 3.04Å; V783-C790 WeakPolarHBondContact O-CB 3.3Å; V783-C790 PolarHBondContact O-N 3.35Å; V783-C790 VanDerWaalsContact O-N 3.08Å; S786-C790 VanDerWaalsContact O-CB 3.24Å; S786-C790 WeakPolarHBondContact O-CB 3.31Å; S786-C790 PolarHBondContact O-N 3.42Å; C790-F793 PolarHBondContact O-N 3.36Å; C790-I794 WeakPolarHBondContact O-CG1 3.46Å; C790-I794 PolarHBondContact O-N 2.9Å; C790-Y978 HydrophobicContact CB-CE2 4.37Å; C790-Y978 PolarHBondContact SG-OH 3.42Å
791	A	88.9	Confident	86	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.8	-43.3	176.7	0	0	0	0	0	112.8	P787 A788 K789 I794 D795 F920 L924	P787-A791 VanDerWaalsContact O-CB 3.29Å; P787-A791 WeakPolarHBondContact O-CB 3.17Å; P787-A791 PolarHBondContact O-N 3.07Å; A788-A791 PolarHBondContact O-N 2.97Å; K789-A791 VanDerWaalsContact C-N 3.33Å; K789-A791 PolarHBondContact O-N 2.95Å; A791-I794 PolarHBondContact O-N 2.74Å; A791-D795 WeakPolarHBondContact O-CB 3.33Å; A791-D795 PolarHBondContact O-N 3.24Å; A791-F920 HydrophobicContact CB-CB 4.02Å; A791-F920 HydrophobicContact CB-CD2 3.76Å; A791-F920 HydrophobicContact CB-CG 4.12Å; A791-L924 HydrophobicContact CB-CD1 4.3Å; A791-L924 HydrophobicContact CB-CG 4.46Å
792	M	86.3	Confident	85.8	Confident	4 Å²	4	18.4 Å²	18.4	2%	0.02	10%	0.099	C	C	.	.	H	α-helix	trans	-65.5	-40.9	175.2	-83.2	177.4	50.5	0	0	112.2	F777 A788 K789 D795 Y796 W899 L901 I905 F907	F777-M792 HydrophobicContact CE2-CE 4.15Å; F777-M792 HydrophobicContact CZ-CB 4.1Å; F777-M792 HydrophobicContact CZ-CE 3.96Å; A788-M792 PolarHBondContact O-N 3.09Å; A788-M792 VanDerWaalsContact O-N 3.09Å; K789-M792 PolarHBondContact O-N 2.95Å; M792-D795 PolarHBondContact O-N 3.5Å; M792-Y796 WeakPolarHBondContact O-CB 3.29Å; M792-Y796 PolarHBondContact O-N 3.39Å; M792-W899 HydrophobicContact CB-CH2 4.04Å; M792-W899 HydrophobicContact CE-CH2 4.42Å; M792-W899 HydrophobicContact CE-CZ3 4.19Å; M792-W899 HydrophobicContact CG-CH2 4.27Å; M792-W899 VanDerWaalsContact O-CH2 3.27Å; M792-W899 WeakPolarHBondContact O-CH2 3.08Å; M792-L901 HydrophobicContact CE-CD1 3.77Å; M792-L901 HydrophobicContact CE-CD2 3.95Å; M792-L901 HydrophobicContact CE-CG 4.39Å; M792-L901 HydrophobicContact CG-CD2 4.43Å; M792-L901 HydrophobicContact SD-CD2 4.18Å; M792-I905 HydrophobicContact CG-CD1 4.3Å; M792-I905 HydrophobicContact SD-CB 4.22Å; M792-I905 HydrophobicContact SD-CD1 3.7Å; M792-I905 HydrophobicContact SD-CG2 4.37Å; M792-F907 HydrophobicContact CE-CE2 4.14Å; M792-F907 HydrophobicContact CE-CZ 3.63Å; M792-F907 HydrophobicContact SD-CE1 3.92Å; M792-F907 HydrophobicContact SD-CE2 4.3Å; M792-F907 HydrophobicContact SD-CZ 3.41Å; M792-F907 WeakPolarHBondContact SD-CZ 3.23Å
793	F	90.5	Very high	85.7	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.8	-42.2	175.4	178.5	-120.2	0	0	0	112.4	F777 V783 K789 C790 Y796 L797 T807 I881 Q884 V885 L888	F777-F793 HydrophobicContact CE1-CB 4.46Å; V783-F793 HydrophobicContact CG1-CB 3.81Å; V783-F793 HydrophobicContact CG1-CD1 4.4Å; V783-F793 HydrophobicContact CG1-CG 4.19Å; K789-F793 WeakPolarHBondContact O-CB 3.42Å; K789-F793 PolarHBondContact O-N 3.5Å; C790-F793 PolarHBondContact O-N 3.36Å; F793-Y796 WeakPolarHBondContact O-CB 3.37Å; F793-Y796 PolarHBondContact O-N 2.94Å; F793-L797 HydrophobicContact CD1-CD1 4.13Å; F793-L797 HydrophobicContact CD2-CG 4.47Å; F793-L797 HydrophobicContact CE1-CD1 3.71Å; F793-L797 HydrophobicContact CE2-CD1 4.19Å; F793-L797 HydrophobicContact CE2-CD2 4.21Å; F793-L797 HydrophobicContact CE2-CG 4.16Å; F793-L797 HydrophobicContact CZ-CD1 3.74Å; F793-L797 HydrophobicContact CZ-CD2 4.25Å; F793-L797 HydrophobicContact CZ-CG 4.19Å; F793-L797 VanDerWaalsContact O-CG 3.29Å; F793-L797 WeakPolarHBondContact O-CG 3.29Å; F793-L797 PolarHBondContact O-N 3.16Å; F793-T807 HydrophobicContact CD1-CG2 3.97Å; F793-T807 HydrophobicContact CE1-CG2 3.79Å; F793-T807 WeakPolarHBondContact CE1-OG1 3.27Å; F793-I881 HydrophobicContact CE1-CG2 3.78Å; F793-I881 HydrophobicContact CZ-CG2 4.06Å; F793-Q884 HydrophobicContact CE2-CB 3.99Å; F793-Q884 HydrophobicContact CZ-CB 3.77Å; F793-V885 HydrophobicContact CD1-CG2 4.29Å; F793-V885 HydrophobicContact CD2-CG2 3.9Å; F793-V885 HydrophobicContact CE1-CG2 3.95Å; F793-V885 HydrophobicContact CE2-CB 4.41Å; F793-V885 HydrophobicContact CE2-CG2 3.53Å; F793-V885 HydrophobicContact CG-CG2 4.27Å; F793-V885 HydrophobicContact CZ-CG2 3.56Å; F793-L888 HydrophobicContact CB-CD2 4.37Å; F793-L888 HydrophobicContact CD2-CD2 3.89Å
794	I	89.3	Confident	85.7	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65.7	-41.1	175.3	-68.8	170.1	0	0	0	111.5	C790 A791 L797 F798 T807 I811 L924 L971	C790-I794 WeakPolarHBondContact O-CG1 3.46Å; C790-I794 PolarHBondContact O-N 2.9Å; A791-I794 PolarHBondContact O-N 2.74Å; I794-L797 PolarHBondContact O-N 3.34Å; I794-F798 HydrophobicContact CG2-CD2 3.79Å; I794-F798 HydrophobicContact CG2-CE2 3.41Å; I794-F798 VanDerWaalsContact CG2-CE2 3.41Å; I794-F798 HydrophobicContact CG2-CZ 4.07Å; I794-F798 WeakPolarHBondContact O-CD2 3.12Å; I794-F798 PolarHBondContact O-N 3.41Å; I794-T807 HydrophobicContact CG1-CG2 4.27Å; I794-I811 HydrophobicContact CD1-CD1 4.26Å; I794-L924 HydrophobicContact CB-CD1 4.41Å; I794-L924 HydrophobicContact CB-CD2 4.25Å; I794-L924 HydrophobicContact CD1-CD1 4.44Å; I794-L924 HydrophobicContact CG2-CD1 4.16Å; I794-L924 HydrophobicContact CG2-CD2 3.73Å; I794-L971 HydrophobicContact CG2-CD2 4.05Å
795	D	87.1	Confident	85.6	Confident	1 Å²	1	16.4 Å²	16.4	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-63.4	-40	174.4	177.2	33.1	0	0	0	112.1	A791 M792 F798 S799 W899 R923 L924 Y927	A791-D795 WeakPolarHBondContact O-CB 3.33Å; A791-D795 PolarHBondContact O-N 3.24Å; M792-D795 PolarHBondContact O-N 3.5Å; D795-F798 PolarHBondContact O-N 2.84Å; D795-S799 WeakPolarHBondContact O-CB 3.39Å; D795-S799 PolarHBondContact O-N 3.42Å; D795-S799 PolarHBondContact O-OG 2.94Å; D795-S799 PolarHBondContact OD1-OG 2.85Å; D795-W899 HydrophobicContact CB-CZ2 3.98Å; D795-W899 VanDerWaalsContact OD2-CZ2 3.3Å; D795-W899 WeakPolarHBondContact OD2-CZ2 3.04Å; D795-R923 HydrophobicContact CB-CG 4.1Å; D795-R923 IonicContact OD2-CZ 2.75Å; D795-R923 IonicContact OD2-NE 3.56Å; D795-R923 PolarHBondContact OD2-NE 3.26Å; D795-R923 IonicContact OD2-NH2 3.8Å; D795-R923 PolarHBondContact OD2-NH2 2.9Å; D795-L924 HydrophobicContact CB-CD2 4.45Å; D795-Y927 HydrophobicContact CB-CE2 4.33Å; D795-Y927 WeakPolarHBondContact OD1-CE2 3.38Å; D795-Y927 PolarHBondContact OD1-OH 3.27Å
796	Y	86.7	Confident	85.8	Confident	4 Å²	4	14.6 Å²	14.6	2%	0.016	7%	0.07	C	C	.	.	H	α-helix	trans	-59.9	-47.7	172.1	168.7	-99.4	0	0	0	111.6	M792 F793 F798 S799 H800 R802 K887 L888 W899	M792-Y796 WeakPolarHBondContact O-CB 3.29Å; M792-Y796 PolarHBondContact O-N 3.39Å; F793-Y796 WeakPolarHBondContact O-CB 3.37Å; F793-Y796 PolarHBondContact O-N 2.94Å; Y796-F798 PolarHBondContact O-N 2.66Å; Y796-S799 PolarHBondContact O-N 2.93Å; Y796-H800 AromaticContact CD2-CE1 3.55Å; Y796-H800 AromaticContact CD2-ND1 3.28Å; Y796-H800 VanDerWaalsContact CD2-ND1 3.28Å; Y796-H800 WeakPolarHBondContact CD2-ND1 3.19Å; Y796-H800 AromaticContact CE2-CE1 3.54Å; Y796-H800 AromaticContact CE2-CG 3.9Å; Y796-H800 AromaticContact CE2-ND1 3.42Å; Y796-H800 WeakPolarHBondContact CE2-ND1 3.25Å; Y796-H800 AromaticContact CG-ND1 3.99Å; Y796-H800 WeakPolarHBondContact O-CB 3.4Å; Y796-H800 PolarHBondContact O-N 3.02Å; Y796-H800 PolarHBondContact O-ND1 2.98Å; Y796-R802 PolarHBondContact OH-NH1 2.93Å; Y796-R802 PolarHBondContact OH-NH2 3.26Å; Y796-K887 PolarHBondContact OH-O 3.41Å; Y796-K887 VanDerWaalsContact OH-O 3.06Å; Y796-L888 HydrophobicContact CD1-CB 4.25Å; Y796-L888 HydrophobicContact CD1-CD1 4.26Å; Y796-L888 HydrophobicContact CD1-CD2 4.48Å; Y796-L888 HydrophobicContact CD2-CD1 3.61Å; Y796-L888 HydrophobicContact CE1-CB 4.07Å; Y796-L888 HydrophobicContact CE1-CD1 4.49Å; Y796-L888 HydrophobicContact CE2-CD1 3.85Å; Y796-L888 HydrophobicContact CG-CD1 3.81Å; Y796-L888 HydrophobicContact CG-CD2 4.42Å; Y796-W899 HydrophobicContact CD2-CD2 4.06Å; Y796-W899 HydrophobicContact CD2-CE3 4.39Å; Y796-W899 HydrophobicContact CD2-CG 4.16Å; Y796-W899 VanDerWaalsContact N-CZ2 3.34Å
797	L	87.7	Confident	85.9	Confident	1 Å²	1	14 Å²	14	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-61	-44.6	178.5	-68.9	172.3	0	0	0	111.8	F793 I794 H800 K801 R802 P804	F793-L797 HydrophobicContact CD1-CD1 4.13Å; F793-L797 HydrophobicContact CD2-CG 4.47Å; F793-L797 HydrophobicContact CE1-CD1 3.71Å; F793-L797 HydrophobicContact CE2-CD1 4.19Å; F793-L797 HydrophobicContact CE2-CD2 4.21Å; F793-L797 HydrophobicContact CE2-CG 4.16Å; F793-L797 HydrophobicContact CZ-CD1 3.74Å; F793-L797 HydrophobicContact CZ-CD2 4.25Å; F793-L797 HydrophobicContact CZ-CG 4.19Å; F793-L797 VanDerWaalsContact O-CG 3.29Å; F793-L797 WeakPolarHBondContact O-CG 3.29Å; F793-L797 PolarHBondContact O-N 3.16Å; I794-L797 PolarHBondContact O-N 3.34Å; L797-H800 CarbonylContact O-C 3.55Å; L797-K801 CarbonylContact O-C 3.52Å; L797-K801 WeakPolarHBondContact O-CA 3.41Å; L797-K801 PolarHBondContact O-N 2.89Å; L797-R802 HydrophobicContact CB-CB 4.5Å; L797-R802 HydrophobicContact CD2-CB 3.54Å; L797-R802 HydrophobicContact CD2-CG 4.49Å; L797-R802 PolarHBondContact O-N 2.83Å; L797-P804 HydrophobicContact CD1-CB 4.28Å
798	F	85.2	Confident	86.1	Confident	2 Å²	2	14 Å²	14	1%	0.009	7%	0.066	C	C	.	.	H	α-helix	trans	-66.4	-45.9	175.4	-70.9	-39.1	0	0	0	112.6	I794 D795 Y796 H800 K801 P804 Y927 I948 L951 I967 L971	I794-F798 HydrophobicContact CG2-CD2 3.79Å; I794-F798 HydrophobicContact CG2-CE2 3.41Å; I794-F798 VanDerWaalsContact CG2-CE2 3.41Å; I794-F798 HydrophobicContact CG2-CZ 4.07Å; I794-F798 WeakPolarHBondContact O-CD2 3.12Å; I794-F798 PolarHBondContact O-N 3.41Å; D795-F798 PolarHBondContact O-N 2.84Å; Y796-F798 PolarHBondContact O-N 2.66Å; F798-H800 VanDerWaalsContact C-N 3.29Å; F798-H800 PolarHBondContact O-N 2.93Å; F798-K801 PolarHBondContact O-N 2.85Å; F798-K801 VanDerWaalsContact O-N 3.13Å; F798-P804 HydrophobicContact CE1-CB 4.46Å; F798-P804 HydrophobicContact CE1-CG 3.98Å; F798-Y927 HydrophobicContact CB-CD1 4.43Å; F798-Y927 HydrophobicContact CB-CE1 4.05Å; F798-Y927 HydrophobicContact CD2-CD1 4.33Å; F798-Y927 HydrophobicContact CD2-CD2 4.17Å; F798-Y927 HydrophobicContact CD2-CE2 4.48Å; F798-Y927 HydrophobicContact CD2-CG 4.08Å; F798-I948 HydrophobicContact CB-CG1 4.32Å; F798-I948 HydrophobicContact CD1-CB 4.49Å; F798-I948 HydrophobicContact CD1-CD1 4.06Å; F798-I948 HydrophobicContact CD1-CG1 3.74Å; F798-I948 HydrophobicContact CD1-CG2 4.1Å; F798-I948 HydrophobicContact CD2-CD1 4.35Å; F798-I948 HydrophobicContact CE1-CD1 4.25Å; F798-I948 HydrophobicContact CE1-CG1 4.2Å; F798-I948 HydrophobicContact CE1-CG2 3.85Å; F798-I948 HydrophobicContact CG-CD1 4.12Å; F798-I948 HydrophobicContact CG-CG1 4.06Å; F798-I948 HydrophobicContact CZ-CD1 4.5Å; F798-L951 HydrophobicContact CD1-CD1 4.47Å; F798-L951 HydrophobicContact CE1-CD1 4.32Å; F798-I967 HydrophobicContact CE1-CG2 4.17Å; F798-I967 HydrophobicContact CZ-CG2 3.82Å; F798-L971 HydrophobicContact CE2-CD1 4.11Å; F798-L971 HydrophobicContact CE2-CD2 4.21Å; F798-L971 HydrophobicContact CZ-CD1 4.08Å; F798-L971 HydrophobicContact CZ-CD2 4.28Å
799	S	79.8	Confident	86.3	Confident	49 Å²	49	14 Å²	14	34%	0.343	7%	0.066	S	C	.	.	H	α-helix	trans	-56.6	-43.8	176.8	-64.2	0	0	0	0	111.5	D795 Y796 W899 Y927	D795-S799 WeakPolarHBondContact O-CB 3.39Å; D795-S799 PolarHBondContact O-N 3.42Å; D795-S799 PolarHBondContact O-OG 2.94Å; D795-S799 PolarHBondContact OD1-OG 2.85Å; Y796-S799 PolarHBondContact O-N 2.93Å; S799-W899 PolarHBondContact OG-NE1 3.36Å; S799-W899 VanDerWaalsContact OG-NE1 3.08Å; S799-Y927 PolarHBondContact OG-OH 2.74Å
800	H	77.3	Confident	86.4	Confident	35 Å²	35	13.7 Å²	13.7	16%	0.162	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	8.2	179.6	-68.2	78.3	0	0	0	113.9	Q421 Y796 L797 F798 R802 T898 W899	Q421-H800 PolarHBondContact NE2-O 3.43Å; Q421-H800 PolarHBondContact OE1-O 2.68Å; Y796-H800 AromaticContact CD2-CE1 3.55Å; Y796-H800 AromaticContact CD2-ND1 3.28Å; Y796-H800 VanDerWaalsContact CD2-ND1 3.28Å; Y796-H800 WeakPolarHBondContact CD2-ND1 3.19Å; Y796-H800 AromaticContact CE2-CE1 3.54Å; Y796-H800 AromaticContact CE2-CG 3.9Å; Y796-H800 AromaticContact CE2-ND1 3.42Å; Y796-H800 WeakPolarHBondContact CE2-ND1 3.25Å; Y796-H800 AromaticContact CG-ND1 3.99Å; Y796-H800 WeakPolarHBondContact O-CB 3.4Å; Y796-H800 PolarHBondContact O-N 3.02Å; Y796-H800 PolarHBondContact O-ND1 2.98Å; L797-H800 CarbonylContact O-C 3.55Å; F798-H800 VanDerWaalsContact C-N 3.29Å; F798-H800 PolarHBondContact O-N 2.93Å; H800-R802 HydrophobicContact CB-CG 4.11Å; H800-R802 PolarHBondContact O-N 3.43Å; H800-T898 PolarHBondContact NE2-OG1 3.48Å; H800-W899 AromaticContact CE1-CD1 3.45Å; H800-W899 VanDerWaalsContact CE1-CD1 3.45Å; H800-W899 AromaticContact CE1-CG 3.65Å; H800-W899 AromaticContact ND1-CD1 3.92Å
801	K	76.6	Confident	86.4	Confident	50 Å²	50	13.8 Å²	13.8	22%	0.217	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	29.8	-179.9	-47.6	163.2	-164.1	159.2	0	113.8	N420 Q421 L797 F798	N420-K801 PolarHBondContact OD1-NZ 3.47Å; Q421-K801 HydrophobicContact CB-CB 4.49Å; L797-K801 CarbonylContact O-C 3.52Å; L797-K801 WeakPolarHBondContact O-CA 3.41Å; L797-K801 PolarHBondContact O-N 2.89Å; F798-K801 PolarHBondContact O-N 2.85Å; F798-K801 VanDerWaalsContact O-N 3.13Å
802	R	79	Confident	86.4	Confident	51 Å²	51	13.9 Å²	13.9	19%	0.192	7%	0.066	C	C	.	.			trans	-85.9	146.7	175.2	-68.9	-175.8	176.2	-169.6	13.5	109.4	Y796 L797 H800 P804 K887 L951	Y796-R802 PolarHBondContact OH-NH1 2.93Å; Y796-R802 PolarHBondContact OH-NH2 3.26Å; L797-R802 HydrophobicContact CB-CB 4.5Å; L797-R802 HydrophobicContact CD2-CB 3.54Å; L797-R802 HydrophobicContact CD2-CG 4.49Å; L797-R802 PolarHBondContact O-N 2.83Å; H800-R802 HydrophobicContact CB-CG 4.11Å; H800-R802 PolarHBondContact O-N 3.43Å; R802-P804 VanDerWaalsContact O-CD 3.25Å; R802-P804 WeakPolarHBondContact O-CD 3.31Å; R802-K887 VanDerWaalsContact NH1-CB 3.3Å; R802-L951 WeakPolarHBondContact O-CD2 3.29Å
803	D	81	Confident	86.6	Confident	21 Å²	21	13.7 Å²	13.7	11%	0.112	7%	0.065	C	C	.	.			trans	-63.8	115.4	-175.4	-179.3	24	0	0	0	112.9	T805 W806 P952 N953	D803-T805 VanDerWaalsContact C-N 3.31Å; D803-T805 WeakPolarHBondContact OD1-CB 3.44Å; D803-T805 PolarHBondContact OD1-N 2.82Å; D803-T805 PolarHBondContact OD1-OG1 2.97Å; D803-T805 WeakPolarHBondContact OD2-CB 3.42Å; D803-W806 PolarHBondContact OD2-NE1 2.7Å; D803-P952 HydrophobicContact CB-CG 3.91Å; D803-N953 VanDerWaalsContact CG-ND2 3.28Å; D803-N953 PolarHBondContact OD1-ND2 3.19Å; D803-N953 PolarHBondContact OD1-OD1 2.7Å; D803-N953 PolarHBondContact OD2-ND2 2.8Å; D803-N953 PolarHBondContact OD2-OD1 2.78Å
804	P	87.4	Confident	86.4	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.077	C	C	.	.			trans	-85.2	-2.1	175.9	38.7	-37.7	0	0	0	113	L797 F798 R802 W806 T807 L808 L951	L797-P804 HydrophobicContact CD1-CB 4.28Å; F798-P804 HydrophobicContact CE1-CB 4.46Å; F798-P804 HydrophobicContact CE1-CG 3.98Å; R802-P804 VanDerWaalsContact O-CD 3.25Å; R802-P804 WeakPolarHBondContact O-CD 3.31Å; P804-W806 VanDerWaalsContact C-N 3.32Å; P804-W806 PolarHBondContact O-N 3.22Å; P804-T807 WeakPolarHBondContact O-CB 3.37Å; P804-T807 PolarHBondContact O-N 2.75Å; P804-T807 VanDerWaalsContact O-N 3.08Å; P804-L808 HydrophobicContact CB-CD1 4.07Å; P804-L808 HydrophobicContact CB-CG 4.2Å; P804-L808 HydrophobicContact CG-CD1 3.97Å; P804-L808 WeakPolarHBondContact O-CG 3.46Å; P804-L808 PolarHBondContact O-N 3.31Å; P804-L951 HydrophobicContact CG-CD1 3.79Å
805	T	88	Confident	86.3	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-54.9	-43.6	-170.6	-64.4	0	0	0	0	113	D803 L808 F809 F841 L848 L850 N953	D803-T805 VanDerWaalsContact C-N 3.31Å; D803-T805 WeakPolarHBondContact OD1-CB 3.44Å; D803-T805 PolarHBondContact OD1-N 2.82Å; D803-T805 PolarHBondContact OD1-OG1 2.97Å; D803-T805 WeakPolarHBondContact OD2-CB 3.42Å; T805-L808 PolarHBondContact O-N 3.1Å; T805-F809 WeakPolarHBondContact O-CB 3.31Å; T805-F809 PolarHBondContact O-N 2.82Å; T805-F841 HydrophobicContact CG2-CD1 3.83Å; T805-F841 HydrophobicContact CG2-CE1 4.1Å; T805-L848 HydrophobicContact CG2-CB 3.97Å; T805-L848 WeakPolarHBondContact CG2-O 3.27Å; T805-L850 HydrophobicContact CG2-CD2 3.61Å; T805-L850 HydrophobicContact CG2-CG 3.79Å; T805-N953 PolarHBondContact OG1-ND2 3.43Å
806	W	88.5	Confident	86.3	Confident	48 Å²	48	17.4 Å²	17.4	18%	0.182	8%	0.082	C	C	.	.	H	α-helix	trans	-59.5	-47.8	176.7	-52.8	87.3	0	0	0	111.9	D803 P804 F809 H810 L850 V852 C877 Q880 I881	D803-W806 PolarHBondContact OD2-NE1 2.7Å; P804-W806 VanDerWaalsContact C-N 3.32Å; P804-W806 PolarHBondContact O-N 3.22Å; W806-F809 PolarHBondContact O-N 3.43Å; W806-H810 PolarHBondContact O-N 3.1Å; W806-L850 HydrophobicContact CD2-CD2 3.56Å; W806-L850 HydrophobicContact CE3-CD2 3.51Å; W806-L850 HydrophobicContact CG-CD2 4.05Å; W806-L850 HydrophobicContact CH2-CD2 4.25Å; W806-L850 HydrophobicContact CZ2-CD2 4.28Å; W806-L850 HydrophobicContact CZ3-CD2 3.88Å; W806-V852 HydrophobicContact CH2-CG2 4.26Å; W806-V852 HydrophobicContact CZ3-CG2 4.08Å; W806-C877 HydrophobicContact CE3-CB 4.28Å; W806-Q880 HydrophobicContact CD2-CB 3.88Å; W806-Q880 HydrophobicContact CD2-CG 4.13Å; W806-Q880 HydrophobicContact CE3-CB 3.89Å; W806-Q880 HydrophobicContact CE3-CG 3.86Å; W806-Q880 HydrophobicContact CG-CB 4.17Å; W806-Q880 HydrophobicContact CH2-CG 4.21Å; W806-Q880 HydrophobicContact CZ2-CG 4.47Å; W806-Q880 HydrophobicContact CZ3-CB 4.45Å; W806-Q880 HydrophobicContact CZ3-CG 3.9Å; W806-I881 HydrophobicContact CB-CG1 4Å
807	T	90.1	Very high	86.1	Confident	3 Å²	3	19.2 Å²	19.2	2%	0.018	9%	0.09	C	C	.	.	H	α-helix	trans	-64.5	-43	178.2	-42.1	0	0	0	0	112	L784 F793 I794 P804 H810 I811	L784-T807 HydrophobicContact CD2-CG2 4.02Å; F793-T807 HydrophobicContact CD1-CG2 3.97Å; F793-T807 HydrophobicContact CE1-CG2 3.79Å; F793-T807 WeakPolarHBondContact CE1-OG1 3.27Å; I794-T807 HydrophobicContact CG1-CG2 4.27Å; P804-T807 WeakPolarHBondContact O-CB 3.37Å; P804-T807 PolarHBondContact O-N 2.75Å; P804-T807 VanDerWaalsContact O-N 3.08Å; T807-H810 PolarHBondContact O-N 3.48Å; T807-I811 HydrophobicContact CG2-CD1 4.25Å; T807-I811 WeakPolarHBondContact O-CG1 3.45Å; T807-I811 PolarHBondContact O-N 3.14Å
808	L	91.4	Very high	85.8	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-69.3	-37.6	178.3	-67.1	176.9	0	0	0	111.9	P804 T805 V812 F841 L848 I967 C970 L971	P804-L808 HydrophobicContact CB-CD1 4.07Å; P804-L808 HydrophobicContact CB-CG 4.2Å; P804-L808 HydrophobicContact CG-CD1 3.97Å; P804-L808 WeakPolarHBondContact O-CG 3.46Å; P804-L808 PolarHBondContact O-N 3.31Å; T805-L808 PolarHBondContact O-N 3.1Å; L808-V812 WeakPolarHBondContact O-CB 3.42Å; L808-V812 WeakPolarHBondContact O-CG2 3.13Å; L808-V812 PolarHBondContact O-N 3.19Å; L808-V812 VanDerWaalsContact O-N 3.08Å; L808-F841 HydrophobicContact CB-CE1 4.28Å; L808-F841 HydrophobicContact CB-CZ 4.23Å; L808-L848 HydrophobicContact CD1-CD1 4.33Å; L808-I967 HydrophobicContact CD1-CG2 4.4Å; L808-C970 HydrophobicContact CB-CB 4Å; L808-C970 HydrophobicContact CD1-CB 4.05Å; L808-C970 HydrophobicContact CD2-CB 3.89Å; L808-C970 HydrophobicContact CG-CB 4.19Å; L808-L971 HydrophobicContact CD2-CD2 4.05Å
809	F	91.4	Very high	85.3	Confident	1 Å²	1	22.3 Å²	22.3	0%	0.004	10%	0.103	C	C	.	.	H	α-helix	trans	-62.2	-48.3	172.8	178.1	-90.3	0	0	0	111.1	T805 W806 I811 V812 N813 I837 F841 L842 L850 F870 I873 D874	T805-F809 WeakPolarHBondContact O-CB 3.31Å; T805-F809 PolarHBondContact O-N 2.82Å; W806-F809 PolarHBondContact O-N 3.43Å; F809-I811 PolarHBondContact O-N 3.04Å; F809-V812 PolarHBondContact O-N 3.33Å; F809-N813 HydrophobicContact CE1-CB 4.22Å; F809-N813 PolarHBondContact O-N 3.49Å; F809-I837 HydrophobicContact CD2-CG2 4.39Å; F809-I837 HydrophobicContact CE2-CG2 3.84Å; F809-F841 HydrophobicContact CB-CD1 3.96Å; F809-F841 HydrophobicContact CB-CE1 3.9Å; F809-F841 HydrophobicContact CB-CG 4.38Å; F809-F841 HydrophobicContact CB-CZ 4.26Å; F809-F841 HydrophobicContact CD2-CB 3.84Å; F809-F841 HydrophobicContact CD2-CD1 4.16Å; F809-F841 AromaticContact CD2-CD2 3.91Å; F809-F841 HydrophobicContact CD2-CD2 3.91Å; F809-F841 HydrophobicContact CD2-CE2 4.46Å; F809-F841 AromaticContact CD2-CG 3.73Å; F809-F841 HydrophobicContact CD2-CG 3.73Å; F809-F841 HydrophobicContact CE2-CB 4.39Å; F809-L842 HydrophobicContact CE2-CD2 4.3Å; F809-L850 HydrophobicContact CB-CD1 3.85Å; F809-L850 HydrophobicContact CD1-CD1 4.17Å; F809-L850 HydrophobicContact CD2-CD1 3.58Å; F809-L850 HydrophobicContact CE2-CD1 4.15Å; F809-L850 HydrophobicContact CG-CD1 3.58Å; F809-F870 HydrophobicContact CZ-CB 4.1Å; F809-F870 HydrophobicContact CZ-CD1 4.33Å; F809-F870 HydrophobicContact CZ-CG 4.41Å; F809-I873 HydrophobicContact CD1-CG2 4.19Å; F809-I873 HydrophobicContact CE1-CB 4.07Å; F809-I873 HydrophobicContact CE1-CG2 3.57Å; F809-I873 HydrophobicContact CE2-CG2 4.41Å; F809-I873 HydrophobicContact CZ-CB 4.06Å; F809-I873 HydrophobicContact CZ-CG2 3.69Å; F809-D874 HydrophobicContact CE1-CB 4.46Å
810	H	90.7	Very high	84.9	Confident	17 Å²	17	21.2 Å²	21.2	8%	0.079	9%	0.092	C	C	.	.	H	α-helix	trans	-54.2	-54	179.7	177.9	76	0	0	0	111.4	W806 T807 V812 N813 Q814 D874 I881	W806-H810 PolarHBondContact O-N 3.1Å; T807-H810 PolarHBondContact O-N 3.48Å; H810-V812 VanDerWaalsContact C-N 3.29Å; H810-V812 PolarHBondContact O-N 3.06Å; H810-N813 PolarHBondContact O-N 3.13Å; H810-Q814 WeakPolarHBondContact O-CB 3.4Å; H810-Q814 VanDerWaalsContact O-CG 3.24Å; H810-Q814 WeakPolarHBondContact O-CG 3.37Å; H810-Q814 PolarHBondContact O-N 2.93Å; H810-D874 VanDerWaalsContact CA-OD1 3.32Å; H810-D874 WeakPolarHBondContact CA-OD1 3.34Å; H810-D874 IonicContact CE1-OD1 2.73Å; H810-D874 IonicContact CE1-OD2 3.94Å; H810-D874 IonicContact CG-OD1 2.84Å; H810-D874 VanDerWaalsContact ND1-CG 3.34Å; H810-D874 IonicContact ND1-OD1 3.73Å; H810-D874 PolarHBondContact ND1-OD1 2.96Å; H810-D874 IonicContact ND1-OD2 3.39Å; H810-D874 PolarHBondContact ND1-OD2 2.72Å; H810-I881 HydrophobicContact CB-CD1 3.87Å
811	I	90.6	Very high	84.6	Confident	1 Å²	1	24 Å²	24	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-66	-33.7	-177.3	-55.6	161.1	0	0	0	111.3	L784 I794 T807 F809 Y815 A974 Y977 Y978	L784-I811 HydrophobicContact CD2-CD1 4.48Å; L784-I811 HydrophobicContact CD2-CG1 4.36Å; I794-I811 HydrophobicContact CD1-CD1 4.26Å; T807-I811 HydrophobicContact CG2-CD1 4.25Å; T807-I811 WeakPolarHBondContact O-CG1 3.45Å; T807-I811 PolarHBondContact O-N 3.14Å; F809-I811 PolarHBondContact O-N 3.04Å; I811-Y815 WeakPolarHBondContact O-CB 3.45Å; I811-Y815 PolarHBondContact O-N 2.94Å; I811-A974 HydrophobicContact CB-CB 4.38Å; I811-A974 HydrophobicContact CD1-CB 4.3Å; I811-A974 HydrophobicContact CG2-CB 3.6Å; I811-Y977 HydrophobicContact CG2-CD1 3.87Å; I811-Y977 HydrophobicContact CG2-CG 4.05Å; I811-Y978 HydrophobicContact CG2-CE2 4.39Å
812	V	89.9	Confident	84.1	Confident	2 Å²	2	25.3 Å²	25.3	1%	0.012	14%	0.136	C	C	.	.	H	α-helix	trans	-70.5	-38.7	174.8	172.1	0	0	0	0	112	L808 F809 H810 Y815 F816 I837 F841 C970 T973 Y1042	L808-V812 WeakPolarHBondContact O-CB 3.42Å; L808-V812 WeakPolarHBondContact O-CG2 3.13Å; L808-V812 PolarHBondContact O-N 3.19Å; L808-V812 VanDerWaalsContact O-N 3.08Å; F809-V812 PolarHBondContact O-N 3.33Å; H810-V812 VanDerWaalsContact C-N 3.29Å; H810-V812 PolarHBondContact O-N 3.06Å; V812-Y815 PolarHBondContact O-N 3.28Å; V812-F816 WeakPolarHBondContact O-CB 3.49Å; V812-F816 PolarHBondContact O-N 3.06Å; V812-I837 HydrophobicContact CG1-CD1 3.95Å; V812-I837 HydrophobicContact CG1-CG1 3.77Å; V812-F841 HydrophobicContact CB-CE2 4.45Å; V812-F841 HydrophobicContact CG1-CE2 4.39Å; V812-C970 HydrophobicContact CG2-CB 4.24Å; V812-T973 HydrophobicContact CB-CG2 4.42Å; V812-T973 HydrophobicContact CG2-CG2 3.81Å; V812-Y1042 HydrophobicContact CG1-CD2 3.94Å; V812-Y1042 HydrophobicContact CG1-CE2 4.05Å; V812-Y1042 HydrophobicContact CG1-CG 4.44Å; V812-Y1042 HydrophobicContact CG2-CD2 4.15Å; V812-Y1042 HydrophobicContact CG2-CE2 3.91Å
813	N	89.7	Confident	83	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.6	-48.4	172.6	-179.2	50.5	0	0	0	110.8	F809 H810 Y815 F816 Q817 F870 N871 D874	F809-N813 HydrophobicContact CE1-CB 4.22Å; F809-N813 PolarHBondContact O-N 3.49Å; H810-N813 PolarHBondContact O-N 3.13Å; N813-Y815 VanDerWaalsContact C-N 3.25Å; N813-Y815 PolarHBondContact O-N 3.12Å; N813-F816 WeakPolarHBondContact O-CA 3.22Å; N813-F816 WeakPolarHBondContact O-CB 3.25Å; N813-F816 PolarHBondContact O-N 3.44Å; N813-Q817 WeakPolarHBondContact O-CG 2.98Å; N813-Q817 PolarHBondContact O-N 2.87Å; N813-F870 VanDerWaalsContact OD1-CB 3.31Å; N813-F870 WeakPolarHBondContact OD1-CB 3.03Å; N813-N871 PolarHBondContact ND2-OD1 3.11Å; N813-D874 VanDerWaalsContact ND2-CG 3.33Å; N813-D874 PolarHBondContact ND2-OD2 3.35Å
814	Q	88.2	Confident	81.7	Confident	53 Å²	53	33.3 Å²	33.3	25%	0.248	18%	0.177	C	C	.	.	H	α-helix	trans	-59.8	-36.3	177.2	-68.3	-65.3	-36.6	0	0	112.1	H810 R818 D874 Y977	H810-Q814 WeakPolarHBondContact O-CB 3.4Å; H810-Q814 VanDerWaalsContact O-CG 3.24Å; H810-Q814 WeakPolarHBondContact O-CG 3.37Å; H810-Q814 PolarHBondContact O-N 2.93Å; Q814-R818 WeakPolarHBondContact O-CB 3.42Å; Q814-R818 WeakPolarHBondContact O-CG 3.39Å; Q814-R818 PolarHBondContact O-N 2.83Å; Q814-D874 PolarHBondContact NE2-OD2 3.24Å; Q814-Y977 VanDerWaalsContact C-CE2 3.49Å; Q814-Y977 HydrophobicContact CB-CD2 4.23Å; Q814-Y977 HydrophobicContact CB-CE2 3.41Å; Q814-Y977 VanDerWaalsContact CB-CE2 3.41Å
815	Y	86.6	Confident	79.8	Confident	25 Å²	25	39.2 Å²	39.2	10%	0.098	20%	0.204	C	C	.	.	H	α-helix	trans	-65.6	-46.1	169.5	-177.2	-107.6	0	0	0	112.7	I811 V812 N813 Q817 R818 S819 T973 R976 M980 C1043	I811-Y815 WeakPolarHBondContact O-CB 3.45Å; I811-Y815 PolarHBondContact O-N 2.94Å; V812-Y815 PolarHBondContact O-N 3.28Å; N813-Y815 VanDerWaalsContact C-N 3.25Å; N813-Y815 PolarHBondContact O-N 3.12Å; Y815-Q817 PolarHBondContact O-N 3.38Å; Y815-R818 PolarHBondContact O-N 2.72Å; Y815-S819 WeakPolarHBondContact O-CB 3.46Å; Y815-S819 PolarHBondContact O-N 2.78Å; Y815-S819 PolarHBondContact O-OG 3.09Å; Y815-T973 HydrophobicContact CD1-CG2 3.44Å; Y815-T973 VanDerWaalsContact CD1-CG2 3.44Å; Y815-T973 HydrophobicContact CD2-CG2 4.44Å; Y815-T973 HydrophobicContact CE1-CG2 4.1Å; Y815-T973 HydrophobicContact CG-CG2 3.63Å; Y815-R976 HydrophobicContact CE2-CB 4.02Å; Y815-M980 HydrophobicContact CD2-SD 4.07Å; Y815-M980 HydrophobicContact CE2-SD 3.63Å; Y815-C1043 HydrophobicContact CE1-CB 3.7Å; Y815-C1043 WeakPolarHBondContact CE1-SG 3.33Å
816	F	86.1	Confident	78.2	Confident	1 Å²	1	40.1 Å²	40.1	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-55.4	-52.2	176.1	172	-100.9	0	0	0	111.3	V812 N813 S819 M820 E830 V833 C834 I837 F870	V812-F816 WeakPolarHBondContact O-CB 3.49Å; V812-F816 PolarHBondContact O-N 3.06Å; N813-F816 WeakPolarHBondContact O-CA 3.22Å; N813-F816 WeakPolarHBondContact O-CB 3.25Å; N813-F816 PolarHBondContact O-N 3.44Å; F816-S819 PolarHBondContact O-N 3.03Å; F816-S819 VanDerWaalsContact O-N 3.12Å; F816-S819 PolarHBondContact O-OG 2.95Å; F816-M820 HydrophobicContact CD2-CE 4.03Å; F816-M820 HydrophobicContact CE1-CG 4.37Å; F816-M820 HydrophobicContact CE2-CE 3.37Å; F816-M820 HydrophobicContact CE2-CG 4.21Å; F816-M820 HydrophobicContact CZ-CE 3.9Å; F816-M820 HydrophobicContact CZ-CG 4.08Å; F816-M820 WeakPolarHBondContact O-CG 3.45Å; F816-M820 PolarHBondContact O-N 3.22Å; F816-E830 HydrophobicContact CZ-CG 4.44Å; F816-V833 HydrophobicContact CD2-CB 4.05Å; F816-V833 HydrophobicContact CD2-CG1 3.62Å; F816-V833 HydrophobicContact CE2-CB 4.18Å; F816-V833 HydrophobicContact CE2-CG1 4.22Å; F816-C834 WeakPolarHBondContact CZ-SG 3.43Å; F816-I837 HydrophobicContact CB-CD1 3.9Å; F816-I837 HydrophobicContact CD2-CD1 4.13Å; F816-I837 HydrophobicContact CG-CD1 4.04Å; F816-F870 HydrophobicContact CD1-CD2 4.26Å; F816-F870 HydrophobicContact CE1-CD2 4.23Å; F816-F870 HydrophobicContact CE1-CE2 4.49Å
817	Q	83.8	Confident	76.6	Confident	43 Å²	43	44.5 Å²	44.5	20%	0.201	23%	0.229	C	C	.	.	H	α-helix	trans	-61.6	-46.8	179.1	-58.1	-64.5	0.9	0	0	112.2	N813 Y815 S819 M820 A821 S867 N871	N813-Q817 WeakPolarHBondContact O-CG 2.98Å; N813-Q817 PolarHBondContact O-N 2.87Å; Y815-Q817 PolarHBondContact O-N 3.38Å; Q817-S819 VanDerWaalsContact C-N 3.26Å; Q817-S819 PolarHBondContact O-N 3.24Å; Q817-M820 PolarHBondContact O-N 3.3Å; Q817-A821 PolarHBondContact O-N 3.21Å; Q817-S867 PolarHBondContact NE2-O 2.89Å; Q817-S867 PolarHBondContact NE2-OG 3.19Å; Q817-S867 PolarHBondContact OE1-OG 3.3Å; Q817-N871 VanDerWaalsContact NE2-CG 3.29Å; Q817-N871 PolarHBondContact NE2-ND2 3.24Å; Q817-N871 VanDerWaalsContact NE2-ND2 3.19Å; Q817-N871 PolarHBondContact NE2-OD1 3.45Å
818	R	79.8	Confident	75	Confident	64 Å²	64	53.1 Å²	53.1	24%	0.242	27%	0.267	C	S	.	.	H	α-helix	trans	-61.4	-34	174.1	-75.5	-170.2	-176.2	161.6	4.6	112.5	Q814 Y815 S822 Y977	Q814-R818 WeakPolarHBondContact O-CB 3.42Å; Q814-R818 WeakPolarHBondContact O-CG 3.39Å; Q814-R818 PolarHBondContact O-N 2.83Å; Y815-R818 PolarHBondContact O-N 2.72Å; R818-S822 WeakPolarHBondContact O-CB 3.3Å; R818-S822 PolarHBondContact O-N 3.32Å; R818-S822 PolarHBondContact O-OG 3.21Å; R818-Y977 HydrophobicContact CG-CE2 4.25Å; R818-Y977 VanDerWaalsContact CZ-OH 3.22Å; R818-Y977 PolarHBondContact NH1-OH 2.92Å; R818-Y977 PolarHBondContact NH2-OH 3.35Å
819	S	74.7	Confident	73.8	Confident	4 Å²	4	54.6 Å²	54.6	3%	0.028	28%	0.275	C	S	.	.	H	α-helix	trans	-72.4	-36.1	179.1	83.9	0	0	0	0	112.4	Y815 F816 Q817 S822 S823	Y815-S819 WeakPolarHBondContact O-CB 3.46Å; Y815-S819 PolarHBondContact O-N 2.78Å; Y815-S819 PolarHBondContact O-OG 3.09Å; F816-S819 PolarHBondContact O-N 3.03Å; F816-S819 VanDerWaalsContact O-N 3.12Å; F816-S819 PolarHBondContact O-OG 2.95Å; Q817-S819 VanDerWaalsContact C-N 3.26Å; Q817-S819 PolarHBondContact O-N 3.24Å; S819-S822 PolarHBondContact O-N 3.02Å; S819-S822 PolarHBondContact O-OG 3.06Å; S819-S823 PolarHBondContact O-N 3.34Å
820	M	71.7	Confident	72.7	Confident	26 Å²	26	56.4 Å²	56.4	13%	0.128	28%	0.283	C	S	.	.	H	α-helix	trans	-68.4	-38.9	173.2	-71.1	-57.4	160.1	0	0	112.5	F816 Q817 S822 L826 E830	F816-M820 HydrophobicContact CD2-CE 4.03Å; F816-M820 HydrophobicContact CE1-CG 4.37Å; F816-M820 HydrophobicContact CE2-CE 3.37Å; F816-M820 HydrophobicContact CE2-CG 4.21Å; F816-M820 HydrophobicContact CZ-CE 3.9Å; F816-M820 HydrophobicContact CZ-CG 4.08Å; F816-M820 WeakPolarHBondContact O-CG 3.45Å; F816-M820 PolarHBondContact O-N 3.22Å; Q817-M820 PolarHBondContact O-N 3.3Å; M820-S822 VanDerWaalsContact C-N 3.31Å; M820-S822 PolarHBondContact O-N 2.86Å; M820-L826 HydrophobicContact CE-CB 4.16Å; M820-L826 HydrophobicContact CE-CD2 3.68Å; M820-L826 HydrophobicContact SD-CB 4.12Å; M820-E830 HydrophobicContact CE-CB 3.56Å; M820-E830 HydrophobicContact CE-CG 3.81Å; M820-E830 HydrophobicContact SD-CB 4.29Å; M820-E830 HydrophobicContact SD-CG 4.42Å
821	A	71.6	Confident	71.7	Confident	92 Å²	92	61 Å²	61	76%	0.76	30%	0.303	S	S	*	.	H	α-helix	trans	-66.1	-31.5	175.1	0	0	0	0	0	113.2	Q817	Q817-A821 PolarHBondContact O-N 3.21Å
822	S	65.8	Low	70.8	Confident	78 Å²	78	62.8 Å²	62.8	55%	0.545	31%	0.309	S	S	.	.	H	α-helix	trans	-100.4	-22	-170.2	55.7	0	0	0	0	115.8	R818 S819 M820	R818-S822 WeakPolarHBondContact O-CB 3.3Å; R818-S822 PolarHBondContact O-N 3.32Å; R818-S822 PolarHBondContact O-OG 3.21Å; S819-S822 PolarHBondContact O-N 3.02Å; S819-S822 PolarHBondContact O-OG 3.06Å; M820-S822 VanDerWaalsContact C-N 3.31Å; M820-S822 PolarHBondContact O-N 2.86Å
823	S	57.2	Low	70.1	Confident	39 Å²	39	62.8 Å²	62.8	27%	0.273	31%	0.309	S	S	.	.			trans	-129.7	113.9	-173.6	-176.5	0	0	0	0	115	S819 E825 L826	S819-S823 PolarHBondContact O-N 3.34Å; S823-E825 PolarHBondContact O-N 2.92Å; S823-E825 PolarHBondContact OG-N 2.66Å; S823-L826 WeakPolarHBondContact O-CB 3.2Å; S823-L826 PolarHBondContact O-N 3.09Å; S823-L826 VanDerWaalsContact O-N 3.08Å
824	K	52.6	Low	69.7	Low	202 Å²	202	62.8 Å²	62.8	88%	0.878	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-12.3	170.8	-67.8	-178.3	179.6	176.2	0	114.1
825	E	47.9	Very low	69	Low	124 Å²	124	61.3 Å²	61.3	58%	0.579	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-34.5	169.9	-66.6	-147.3	153.2	0	0	111.9	S823 F827 K828 K1045	S823-E825 PolarHBondContact O-N 2.92Å; S823-E825 PolarHBondContact OG-N 2.66Å; E825-F827 PolarHBondContact O-N 3.09Å; E825-K828 WeakPolarHBondContact O-CB 3.47Å; E825-K828 PolarHBondContact O-N 3.09Å; E825-K1045 IonicContact OE2-NZ 2.63Å; E825-K1045 PolarHBondContact OE2-NZ 2.94Å
826	L	54.3	Low	68.6	Low	18 Å²	18	61.4 Å²	61.4	9%	0.094	30%	0.304	C	S	.	.	H	α-helix	trans	-68.4	-21.4	-172	-110	149.2	0	0	0	113.2	M820 S823 K828 D829 E830 V833 C1043	M820-L826 HydrophobicContact CE-CB 4.16Å; M820-L826 HydrophobicContact CE-CD2 3.68Å; M820-L826 HydrophobicContact SD-CB 4.12Å; S823-L826 WeakPolarHBondContact O-CB 3.2Å; S823-L826 PolarHBondContact O-N 3.09Å; S823-L826 VanDerWaalsContact O-N 3.08Å; L826-K828 PolarHBondContact O-N 2.84Å; L826-D829 HydrophobicContact CD2-CB 4.32Å; L826-D829 CarbonylContact O-C 3.53Å; L826-D829 PolarHBondContact O-N 3Å; L826-E830 WeakPolarHBondContact O-CA 3.41Å; L826-E830 PolarHBondContact O-N 2.98Å; L826-V833 HydrophobicContact CD2-CG2 4.05Å; L826-C1043 HydrophobicContact CD1-CB 4.19Å; L826-C1043 HydrophobicContact CD2-CB 4.31Å
827	F	54.6	Low	68.6	Low	140 Å²	140	61.3 Å²	61.3	61%	0.614	30%	0.304	S	S	*	.	H	α-helix	trans	-57.4	-16	166.8	-97	-76.9	0	0	0	114.5	E825	E825-F827 PolarHBondContact O-N 3.09Å
828	K	57	Low	68.5	Low	184 Å²	184	59.3 Å²	59.3	80%	0.8	30%	0.295	S	S	*	.	H	α-helix	trans	-90.5	-28.3	170.7	-64.5	-176.8	178.7	178.8	0	113	E825 L826	E825-K828 WeakPolarHBondContact O-CB 3.47Å; E825-K828 PolarHBondContact O-N 3.09Å; L826-K828 PolarHBondContact O-N 2.84Å
829	D	65.5	Low	68.4	Low	33 Å²	33	56.3 Å²	56.3	18%	0.176	28%	0.284	C	S	.	.	H	α-helix	trans	-99.6	1.6	179.2	-55.5	-73.4	0	0	0	112.7	L826 K831 R832 V833 K1045	L826-D829 HydrophobicContact CD2-CB 4.32Å; L826-D829 CarbonylContact O-C 3.53Å; L826-D829 PolarHBondContact O-N 3Å; D829-K831 VanDerWaalsContact C-N 3.27Å; D829-K831 PolarHBondContact O-N 3.07Å; D829-R832 HydrophobicContact CB-CB 4.45Å; D829-R832 WeakPolarHBondContact O-CA 3.32Å; D829-R832 WeakPolarHBondContact O-CB 3.3Å; D829-R832 PolarHBondContact O-N 2.95Å; D829-V833 PolarHBondContact O-N 2.79Å; D829-K1045 WeakPolarHBondContact OD2-CE 3.49Å; D829-K1045 IonicContact OD2-NZ 2.68Å
830	E	69.3	Low	68.7	Low	38 Å²	38	56.7 Å²	56.7	18%	0.178	29%	0.286	C	S	.	.	H	α-helix	trans	-54	-46.7	179.9	174.5	172.8	-148.7	0	0	110.9	F816 M820 L826 R832 V833 C834	F816-E830 HydrophobicContact CZ-CG 4.44Å; M820-E830 HydrophobicContact CE-CB 3.56Å; M820-E830 HydrophobicContact CE-CG 3.81Å; M820-E830 HydrophobicContact SD-CB 4.29Å; M820-E830 HydrophobicContact SD-CG 4.42Å; L826-E830 WeakPolarHBondContact O-CA 3.41Å; L826-E830 PolarHBondContact O-N 2.98Å; E830-R832 VanDerWaalsContact C-N 3.26Å; E830-R832 PolarHBondContact O-N 3.2Å; E830-V833 PolarHBondContact O-N 3.41Å; E830-C834 VanDerWaalsContact O-CB 3.28Å; E830-C834 WeakPolarHBondContact O-CB 3.49Å; E830-C834 PolarHBondContact O-N 2.94Å; E830-C834 PolarHBondContact O-SG 2.82Å
831	K	69.5	Low	69.4	Low	113 Å²	113	55.4 Å²	55.4	49%	0.491	28%	0.279	S	S	.	.	H	α-helix	trans	-62.5	-33.1	176.4	-57.4	-160.1	175.2	-168.5	0	113.1	D829 L835 F863	D829-K831 VanDerWaalsContact C-N 3.27Å; D829-K831 PolarHBondContact O-N 3.07Å; K831-L835 WeakPolarHBondContact O-CB 3.38Å; K831-L835 PolarHBondContact O-N 2.9Å; K831-L835 VanDerWaalsContact O-N 3.14Å; K831-F863 HydrophobicContact CB-CD1 3.61Å; K831-F863 HydrophobicContact CB-CE1 3.6Å; K831-F863 HydrophobicContact CB-CG 4.23Å; K831-F863 HydrophobicContact CB-CZ 4.24Å; K831-F863 HydrophobicContact CD-CB 4.18Å; K831-F863 HydrophobicContact CD-CD1 4Å; K831-F863 HydrophobicContact CD-CD2 3.84Å; K831-F863 HydrophobicContact CD-CE1 4.33Å; K831-F863 HydrophobicContact CD-CE2 4.2Å; K831-F863 HydrophobicContact CD-CG 3.71Å; K831-F863 HydrophobicContact CD-CZ 4.43Å; K831-F863 HydrophobicContact CG-CB 4.07Å; K831-F863 HydrophobicContact CG-CD1 3.57Å; K831-F863 HydrophobicContact CG-CD2 4.33Å; K831-F863 HydrophobicContact CG-CE1 4.04Å; K831-F863 HydrophobicContact CG-CG 3.72Å; K831-F863 WeakPolarHBondContact O-CE1 3.36Å
832	R	70.4	Confident	69.9	Low	39 Å²	39	52 Å²	52	15%	0.147	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-56.2	172.5	160.6	177.5	-156.8	127.7	20.7	110.1	D829 E830 C834 L835 E836 S1046 L1088	D829-R832 HydrophobicContact CB-CB 4.45Å; D829-R832 WeakPolarHBondContact O-CA 3.32Å; D829-R832 WeakPolarHBondContact O-CB 3.3Å; D829-R832 PolarHBondContact O-N 2.95Å; E830-R832 VanDerWaalsContact C-N 3.26Å; E830-R832 PolarHBondContact O-N 3.2Å; R832-C834 PolarHBondContact O-N 3.33Å; R832-L835 PolarHBondContact O-N 3.1Å; R832-E836 HydrophobicContact CG-CG 4.39Å; R832-E836 IonicContact CZ-OE1 3.45Å; R832-E836 IonicContact NE-OE1 2.76Å; R832-E836 PolarHBondContact NE-OE1 2.89Å; R832-E836 IonicContact NE-OE2 2.74Å; R832-E836 IonicContact NH2-OE1 3.7Å; R832-E836 PolarHBondContact NH2-OE1 3.42Å; R832-E836 WeakPolarHBondContact O-CG 3.38Å; R832-E836 PolarHBondContact O-N 3.29Å; R832-S1046 PolarHBondContact NH1-OG 2.93Å; R832-S1046 PolarHBondContact NH2-OG 3.3Å; R832-S1046 VanDerWaalsContact NH2-OG 3.15Å; R832-L1088 HydrophobicContact CB-CD1 3.54Å; R832-L1088 HydrophobicContact CG-CD1 3.4Å; R832-L1088 VanDerWaalsContact CG-CD1 3.4Å
833	V	76.8	Confident	70.3	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-70	-37	-171.8	-173.3	0	0	0	0	110.8	F816 L826 D829 E830 L835 E836 I837	F816-V833 HydrophobicContact CD2-CB 4.05Å; F816-V833 HydrophobicContact CD2-CG1 3.62Å; F816-V833 HydrophobicContact CE2-CB 4.18Å; F816-V833 HydrophobicContact CE2-CG1 4.22Å; L826-V833 HydrophobicContact CD2-CG2 4.05Å; D829-V833 PolarHBondContact O-N 2.79Å; E830-V833 PolarHBondContact O-N 3.41Å; V833-L835 PolarHBondContact O-N 3.42Å; V833-E836 PolarHBondContact O-N 2.82Å; V833-I837 HydrophobicContact CG1-CD1 3.93Å; V833-I837 HydrophobicContact CG1-CG1 4.33Å; V833-I837 WeakPolarHBondContact O-CB 3.2Å; V833-I837 VanDerWaalsContact O-CG1 3.29Å; V833-I837 WeakPolarHBondContact O-CG1 3.32Å; V833-I837 PolarHBondContact O-N 3.01Å
834	C	80.3	Confident	70.8	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.5	-45.5	170.3	-70.2	0	0	0	0	112.4	F816 E830 R832 F838 F861 F863 C866 F870	F816-C834 WeakPolarHBondContact CZ-SG 3.43Å; E830-C834 VanDerWaalsContact O-CB 3.28Å; E830-C834 WeakPolarHBondContact O-CB 3.49Å; E830-C834 PolarHBondContact O-N 2.94Å; E830-C834 PolarHBondContact O-SG 2.82Å; R832-C834 PolarHBondContact O-N 3.33Å; C834-F838 WeakPolarHBondContact O-CB 3.16Å; C834-F838 PolarHBondContact O-N 3.48Å; C834-F861 HydrophobicContact CB-CE1 4.07Å; C834-F861 HydrophobicContact CB-CZ 3.89Å; C834-F861 WeakPolarHBondContact O-CZ 3.4Å; C834-F863 HydrophobicContact CB-CD1 4.27Å; C834-C866 HydrophobicContact CB-CB 4.11Å; C834-C866 VanDerWaalsContact SG-CB 3.53Å; C834-F870 HydrophobicContact CB-CE2 4.32Å; C834-F870 HydrophobicContact CB-CZ 4.33Å
835	L	73.7	Confident	71.5	Confident	23 Å²	23	46.3 Å²	46.3	12%	0.12	21%	0.211	C	C	.	.	H	α-helix	trans	-63.3	-46	174.4	-91.5	163.8	0	0	0	112.1	K831 R832 V833 I837 F838 T839 F861 F863 W1086	K831-L835 WeakPolarHBondContact O-CB 3.38Å; K831-L835 PolarHBondContact O-N 2.9Å; K831-L835 VanDerWaalsContact O-N 3.14Å; R832-L835 PolarHBondContact O-N 3.1Å; V833-L835 PolarHBondContact O-N 3.42Å; L835-I837 VanDerWaalsContact C-N 3.34Å; L835-I837 PolarHBondContact O-N 3.49Å; L835-F838 PolarHBondContact O-N 3.23Å; L835-T839 WeakPolarHBondContact O-CB 3.3Å; L835-T839 WeakPolarHBondContact O-CG2 3.48Å; L835-T839 PolarHBondContact O-N 3.32Å; L835-T839 PolarHBondContact O-OG1 2.98Å; L835-F861 HydrophobicContact CG-CE1 4.36Å; L835-F863 HydrophobicContact CD1-CE1 4.04Å; L835-F863 HydrophobicContact CD1-CZ 3.93Å; L835-F863 HydrophobicContact CG-CE1 3.91Å; L835-F863 HydrophobicContact CG-CZ 4.09Å; L835-W1086 HydrophobicContact CB-CE3 4.45Å
836	E	78.9	Confident	72.9	Confident	26 Å²	26	40.5 Å²	40.5	12%	0.121	18%	0.184	C	C	.	.	H	α-helix	trans	-64.4	-36.1	-179.1	-70.4	178.2	179.8	0	0	111.9	R832 V833 T840 Y1042 W1086	R832-E836 HydrophobicContact CG-CG 4.39Å; R832-E836 IonicContact CZ-OE1 3.45Å; R832-E836 IonicContact NE-OE1 2.76Å; R832-E836 PolarHBondContact NE-OE1 2.89Å; R832-E836 IonicContact NE-OE2 2.74Å; R832-E836 IonicContact NH2-OE1 3.7Å; R832-E836 PolarHBondContact NH2-OE1 3.42Å; R832-E836 WeakPolarHBondContact O-CG 3.38Å; R832-E836 PolarHBondContact O-N 3.29Å; V833-E836 PolarHBondContact O-N 2.82Å; E836-T840 VanDerWaalsContact O-CB 3.27Å; E836-T840 WeakPolarHBondContact O-CB 3.48Å; E836-T840 PolarHBondContact O-N 3.25Å; E836-T840 VanDerWaalsContact O-N 3.09Å; E836-T840 PolarHBondContact O-OG1 3.1Å; E836-Y1042 HydrophobicContact CB-CD1 3.75Å; E836-Y1042 HydrophobicContact CB-CE1 3.97Å; E836-W1086 HydrophobicContact CB-CH2 4.2Å; E836-W1086 HydrophobicContact CB-CZ3 4.2Å; E836-W1086 HydrophobicContact CG-CH2 3.82Å; E836-W1086 HydrophobicContact CG-CZ3 3.64Å
837	I	85.5	Confident	74	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-68	-54.8	171.5	-68.5	170.6	0	0	0	110.7	F809 V812 F816 V833 L835 T839 T840 F841 F870	F809-I837 HydrophobicContact CD2-CG2 4.39Å; F809-I837 HydrophobicContact CE2-CG2 3.84Å; V812-I837 HydrophobicContact CG1-CD1 3.95Å; V812-I837 HydrophobicContact CG1-CG1 3.77Å; F816-I837 HydrophobicContact CB-CD1 3.9Å; F816-I837 HydrophobicContact CD2-CD1 4.13Å; F816-I837 HydrophobicContact CG-CD1 4.04Å; V833-I837 HydrophobicContact CG1-CD1 3.93Å; V833-I837 HydrophobicContact CG1-CG1 4.33Å; V833-I837 WeakPolarHBondContact O-CB 3.2Å; V833-I837 VanDerWaalsContact O-CG1 3.29Å; V833-I837 WeakPolarHBondContact O-CG1 3.32Å; V833-I837 PolarHBondContact O-N 3.01Å; L835-I837 VanDerWaalsContact C-N 3.34Å; L835-I837 PolarHBondContact O-N 3.49Å; I837-T839 VanDerWaalsContact C-N 3.26Å; I837-T839 PolarHBondContact O-N 3.29Å; I837-T840 PolarHBondContact O-N 2.98Å; I837-T840 VanDerWaalsContact O-N 3.15Å; I837-F841 HydrophobicContact CG2-CD2 4.31Å; I837-F841 PolarHBondContact O-N 3.11Å; I837-F870 HydrophobicContact CB-CE2 4.13Å; I837-F870 HydrophobicContact CB-CZ 3.98Å; I837-F870 HydrophobicContact CD1-CD2 4.42Å; I837-F870 HydrophobicContact CD1-CE2 4.05Å; I837-F870 HydrophobicContact CG2-CD1 4.35Å; I837-F870 HydrophobicContact CG2-CD2 4.34Å; I837-F870 HydrophobicContact CG2-CE1 3.95Å; I837-F870 HydrophobicContact CG2-CE2 3.95Å; I837-F870 HydrophobicContact CG2-CZ 3.73Å
838	F	81.6	Confident	75.4	Confident	1 Å²	1	34.3 Å²	34.3	0%	0.004	16%	0.159	C	C	.	.	I	π-helix	trans	-55	-40.3	-177.5	175	-87.6	0	0	0	112.7	C834 L835 L842 H843 L858 F861 I1075	C834-F838 WeakPolarHBondContact O-CB 3.16Å; C834-F838 PolarHBondContact O-N 3.48Å; L835-F838 PolarHBondContact O-N 3.23Å; F838-L842 HydrophobicContact CD2-CB 4.19Å; F838-L842 HydrophobicContact CD2-CD1 4.24Å; F838-L842 HydrophobicContact CG-CB 4.5Å; F838-L842 CarbonylContact O-C 3.56Å; F838-L842 WeakPolarHBondContact O-CA 2.91Å; F838-L842 WeakPolarHBondContact O-CB 3.39Å; F838-L842 PolarHBondContact O-N 3.28Å; F838-H843 HydrophobicContact CE1-CB 4.41Å; F838-H843 PolarHBondContact O-N 2.8Å; F838-L858 HydrophobicContact CD2-CD2 4.28Å; F838-L858 HydrophobicContact CE2-CD2 3.39Å; F838-L858 HydrophobicContact CZ-CB 4.49Å; F838-L858 HydrophobicContact CZ-CD2 3.84Å; F838-F861 HydrophobicContact CB-CE1 4.22Å; F838-F861 HydrophobicContact CB-CE2 3.81Å; F838-F861 HydrophobicContact CB-CZ 3.61Å; F838-F861 AromaticContact CD2-CD2 3.26Å; F838-F861 HydrophobicContact CD2-CD2 3.26Å; F838-F861 AromaticContact CD2-CE2 3.19Å; F838-F861 HydrophobicContact CD2-CE2 3.19Å; F838-F861 AromaticContact CD2-CG 4Å; F838-F861 HydrophobicContact CD2-CG 4Å; F838-F861 AromaticContact CD2-CZ 3.88Å; F838-F861 HydrophobicContact CD2-CZ 3.88Å; F838-F861 HydrophobicContact CE2-CB 4.24Å; F838-F861 AromaticContact CE2-CD2 3.38Å; F838-F861 HydrophobicContact CE2-CD2 3.38Å; F838-F861 AromaticContact CE2-CE2 3.86Å; F838-F861 HydrophobicContact CE2-CE2 3.86Å; F838-F861 AromaticContact CE2-CG 3.96Å; F838-F861 HydrophobicContact CE2-CG 3.96Å; F838-F861 AromaticContact CG-CD2 3.98Å; F838-F861 HydrophobicContact CG-CD2 3.98Å; F838-F861 HydrophobicContact CG-CE1 4.39Å; F838-F861 AromaticContact CG-CE2 3.73Å; F838-F861 HydrophobicContact CG-CE2 3.73Å; F838-F861 HydrophobicContact CG-CG 4.4Å; F838-F861 AromaticContact CG-CZ 3.92Å; F838-F861 HydrophobicContact CG-CZ 3.92Å; F838-F861 HydrophobicContact CZ-CB 4.35Å; F838-F861 HydrophobicContact CZ-CD2 4.24Å; F838-F861 HydrophobicContact CZ-CG 4.39Å; F838-I1075 HydrophobicContact CD1-CD1 4.22Å; F838-I1075 HydrophobicContact CE1-CD1 3.62Å
839	T	77	Confident	76.5	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.006	13%	0.133	C	C	.	.	I	π-helix	trans	-90.3	-15.4	-178.1	56.8	0	0	0	0	114.2	L835 I837 S846 P847 I1075 W1086	L835-T839 WeakPolarHBondContact O-CB 3.3Å; L835-T839 WeakPolarHBondContact O-CG2 3.48Å; L835-T839 PolarHBondContact O-N 3.32Å; L835-T839 PolarHBondContact O-OG1 2.98Å; I837-T839 VanDerWaalsContact C-N 3.26Å; I837-T839 PolarHBondContact O-N 3.29Å; T839-S846 WeakPolarHBondContact O-CB 3.22Å; T839-P847 WeakPolarHBondContact O-CD 3.41Å; T839-I1075 HydrophobicContact CG2-CD1 4.29Å; T839-I1075 HydrophobicContact CG2-CG1 4.44Å; T839-W1086 HydrophobicContact CG2-CB 4.47Å; T839-W1086 HydrophobicContact CG2-CD2 3.49Å; T839-W1086 VanDerWaalsContact CG2-CD2 3.49Å; T839-W1086 HydrophobicContact CG2-CE3 3.85Å; T839-W1086 HydrophobicContact CG2-CG 3.71Å; T839-W1086 WeakPolarHBondContact OG1-CH2 2.98Å; T839-W1086 WeakPolarHBondContact OG1-CZ2 3.05Å; T839-W1086 WeakPolarHBondContact OG1-CZ3 3.2Å
840	T	81.3	Confident	77.3	Confident	11 Å²	11	27.6 Å²	27.6	7%	0.067	13%	0.127	C	C	.	.	I	π-helix	trans	-76.7	-37.3	165.8	-57.2	0	0	0	0	111.5	E836 I837 S846 P847 L848 A966 Y1042	E836-T840 VanDerWaalsContact O-CB 3.27Å; E836-T840 WeakPolarHBondContact O-CB 3.48Å; E836-T840 PolarHBondContact O-N 3.25Å; E836-T840 VanDerWaalsContact O-N 3.09Å; E836-T840 PolarHBondContact O-OG1 3.1Å; I837-T840 PolarHBondContact O-N 2.98Å; I837-T840 VanDerWaalsContact O-N 3.15Å; T840-S846 WeakPolarHBondContact O-CB 3.4Å; T840-P847 HydrophobicContact CG2-CG 4.18Å; T840-P847 WeakPolarHBondContact O-CD 3.49Å; T840-L848 HydrophobicContact CG2-CB 4.25Å; T840-L848 HydrophobicContact CG2-CD1 4.14Å; T840-L848 HydrophobicContact CG2-CG 4.4Å; T840-L848 CarbonylContact O-C 3.55Å; T840-L848 WeakPolarHBondContact O-CA 3.48Å; T840-L848 PolarHBondContact O-N 3.17Å; T840-A966 HydrophobicContact CG2-CB 3.94Å; T840-Y1042 VanDerWaalsContact CG2-OH 3.28Å; T840-Y1042 WeakPolarHBondContact CG2-OH 3.44Å; T840-Y1042 PolarHBondContact OG1-OH 3.46Å; T840-Y1042 VanDerWaalsContact OG1-OH 3.09Å
841	F	86.2	Confident	77.4	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.138	C	C	.	.	I	π-helix	trans	-120.5	-32.9	-165.8	-67.7	-78.9	0	0	0	117.1	T805 L808 F809 V812 I837 L848 R849 L850 C970	T805-F841 HydrophobicContact CG2-CD1 3.83Å; T805-F841 HydrophobicContact CG2-CE1 4.1Å; L808-F841 HydrophobicContact CB-CE1 4.28Å; L808-F841 HydrophobicContact CB-CZ 4.23Å; F809-F841 HydrophobicContact CB-CD1 3.96Å; F809-F841 HydrophobicContact CB-CE1 3.9Å; F809-F841 HydrophobicContact CB-CG 4.38Å; F809-F841 HydrophobicContact CB-CZ 4.26Å; F809-F841 HydrophobicContact CD2-CB 3.84Å; F809-F841 HydrophobicContact CD2-CD1 4.16Å; F809-F841 AromaticContact CD2-CD2 3.91Å; F809-F841 HydrophobicContact CD2-CD2 3.91Å; F809-F841 HydrophobicContact CD2-CE2 4.46Å; F809-F841 AromaticContact CD2-CG 3.73Å; F809-F841 HydrophobicContact CD2-CG 3.73Å; F809-F841 HydrophobicContact CE2-CB 4.39Å; V812-F841 HydrophobicContact CB-CE2 4.45Å; V812-F841 HydrophobicContact CG1-CE2 4.39Å; I837-F841 HydrophobicContact CG2-CD2 4.31Å; I837-F841 PolarHBondContact O-N 3.11Å; F841-L848 WeakPolarHBondContact CA-O 3.48Å; F841-L848 HydrophobicContact CD1-CB 3.93Å; F841-L848 WeakPolarHBondContact CD1-O 3.47Å; F841-L848 HydrophobicContact CE1-CB 3.97Å; F841-L848 HydrophobicContact CE1-CD1 4.1Å; F841-L848 HydrophobicContact CZ-CD1 4.38Å; F841-R849 CarbonylContact O-C 3.26Å; F841-R849 WeakPolarHBondContact O-CA 3.45Å; F841-L850 HydrophobicContact CB-CD1 4.13Å; F841-L850 HydrophobicContact CB-CG 4.46Å; F841-L850 HydrophobicContact CD1-CD1 4.48Å; F841-L850 HydrophobicContact CD1-CG 4.47Å; F841-L850 PolarHBondContact O-N 3.46Å; F841-C970 VanDerWaalsContact CZ-SG 3.54Å
842	L	82.1	Confident	77.2	Confident	19 Å²	19	25.8 Å²	25.8	10%	0.099	13%	0.125	C	C	.	.	I	π-helix	trans	-110.3	-23.7	-165	-54.2	-177	0	0	0	114.5	F809 F838 L850 L858 F870 I873	F809-L842 HydrophobicContact CE2-CD2 4.3Å; F838-L842 HydrophobicContact CD2-CB 4.19Å; F838-L842 HydrophobicContact CD2-CD1 4.24Å; F838-L842 HydrophobicContact CG-CB 4.5Å; F838-L842 CarbonylContact O-C 3.56Å; F838-L842 WeakPolarHBondContact O-CA 2.91Å; F838-L842 WeakPolarHBondContact O-CB 3.39Å; F838-L842 PolarHBondContact O-N 3.28Å; L842-L850 HydrophobicContact CD2-CB 4.43Å; L842-L850 HydrophobicContact CD2-CD1 3.89Å; L842-L858 HydrophobicContact CB-CD2 4.49Å; L842-F870 HydrophobicContact CD1-CD1 4.02Å; L842-F870 HydrophobicContact CD1-CE1 3.76Å; L842-I873 HydrophobicContact CD1-CD1 3.73Å; L842-I873 HydrophobicContact CD2-CD1 3.82Å; L842-I873 HydrophobicContact CD2-CG2 4.47Å; L842-I873 HydrophobicContact CG-CD1 4.45Å
843	H	74.4	Confident	76.2	Confident	30 Å²	30	35.7 Å²	35.7	14%	0.139	16%	0.162	C	C	.	.	S	Bend	trans	-70.5	145.8	177.6	-162.9	-63.6	0	0	0	111.4	F838 K845 S846 L1084	F838-H843 HydrophobicContact CE1-CB 4.41Å; F838-H843 PolarHBondContact O-N 2.8Å; H843-K845 PolarHBondContact ND1-N 3.37Å; H843-K845 PolarHBondContact O-N 3.26Å; H843-S846 WeakPolarHBondContact O-CB 3.39Å; H843-S846 PolarHBondContact O-N 3.04Å; H843-S846 PolarHBondContact O-OG 3.15Å; H843-L1084 HydrophobicContact CB-CD1 4.22Å; H843-L1084 VanDerWaalsContact CE1-CD2 3.45Å; H843-L1084 WeakPolarHBondContact CE1-CD2 3.36Å; H843-L1084 WeakPolarHBondContact NE2-CD2 3.49Å
844	E	67.5	Low	74.8	Confident	116 Å²	116	37.9 Å²	37.9	54%	0.542	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-26.4	180	-61.2	176.4	176.7	0	0	116	R849	E844-R849 WeakPolarHBondContact O-CD 3.34Å; E844-R849 PolarHBondContact O-NH1 3.21Å
845	K	67.9	Low	73	Confident	54 Å²	54	43.8 Å²	43.8	24%	0.235	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	21.8	-176.4	-49.2	170.2	-164.6	162.5	0	110.8	H843 D1077 G1082 L1084	H843-K845 PolarHBondContact ND1-N 3.37Å; H843-K845 PolarHBondContact O-N 3.26Å; K845-D1077 IonicContact NZ-OD1 2.7Å; K845-D1077 PolarHBondContact NZ-OD1 2.95Å; K845-D1077 IonicContact NZ-OD2 2.73Å; K845-D1077 PolarHBondContact NZ-OD2 3Å; K845-G1082 WeakPolarHBondContact CD-O 3.09Å; K845-G1082 WeakPolarHBondContact CE-O 3.38Å; K845-G1082 PolarHBondContact NZ-O 3.13Å; K845-L1084 HydrophobicContact CB-CD1 4.09Å; K845-L1084 HydrophobicContact CB-CG 4.49Å; K845-L1084 HydrophobicContact CD-CG 4.41Å
846	S	76.5	Confident	71.4	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.014	23%	0.227	C	C	.	.			trans	-75.2	149	-178.9	61	0	0	0	0	111.7	T839 T840 H843 L848 R849	T839-S846 WeakPolarHBondContact O-CB 3.22Å; T840-S846 WeakPolarHBondContact O-CB 3.4Å; H843-S846 WeakPolarHBondContact O-CB 3.39Å; H843-S846 PolarHBondContact O-N 3.04Å; H843-S846 PolarHBondContact O-OG 3.15Å; S846-L848 VanDerWaalsContact C-N 3.31Å; S846-L848 PolarHBondContact O-N 2.89Å; S846-R849 VanDerWaalsContact OG-CA 3.31Å; S846-R849 WeakPolarHBondContact OG-CA 3.38Å; S846-R849 WeakPolarHBondContact OG-CB 3.36Å
847	P	77.9	Confident	69.7	Low	25 Å²	25	47.2 Å²	47.2	16%	0.162	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-24	-173.9	28.3	-36.6	0	0	0	114.6	T839 T840 V958 Q962 I963 A966	T839-P847 WeakPolarHBondContact O-CD 3.41Å; T840-P847 HydrophobicContact CG2-CG 4.18Å; T840-P847 WeakPolarHBondContact O-CD 3.49Å; P847-V958 HydrophobicContact CB-CG1 3.81Å; P847-Q962 HydrophobicContact CB-CB 4.4Å; P847-I963 HydrophobicContact CB-CG1 4.32Å; P847-A966 HydrophobicContact CB-CB 4.1Å; P847-A966 HydrophobicContact CG-CB 3.84Å
848	L	84.2	Confident	68	Low	4 Å²	4	51 Å²	51	2%	0.021	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127	56.4	175.7	-64.1	177.4	0	0	0	108.8	T805 L808 T840 F841 S846 L850 I963 A966 I967	T805-L848 HydrophobicContact CG2-CB 3.97Å; T805-L848 WeakPolarHBondContact CG2-O 3.27Å; L808-L848 HydrophobicContact CD1-CD1 4.33Å; T840-L848 HydrophobicContact CG2-CB 4.25Å; T840-L848 HydrophobicContact CG2-CD1 4.14Å; T840-L848 HydrophobicContact CG2-CG 4.4Å; T840-L848 CarbonylContact O-C 3.55Å; T840-L848 WeakPolarHBondContact O-CA 3.48Å; T840-L848 PolarHBondContact O-N 3.17Å; F841-L848 WeakPolarHBondContact CA-O 3.48Å; F841-L848 HydrophobicContact CD1-CB 3.93Å; F841-L848 WeakPolarHBondContact CD1-O 3.47Å; F841-L848 HydrophobicContact CE1-CB 3.97Å; F841-L848 HydrophobicContact CE1-CD1 4.1Å; F841-L848 HydrophobicContact CZ-CD1 4.38Å; S846-L848 VanDerWaalsContact C-N 3.31Å; S846-L848 PolarHBondContact O-N 2.89Å; L848-L850 PolarHBondContact O-N 2.89Å; L848-I963 HydrophobicContact CD2-CG2 4.34Å; L848-A966 HydrophobicContact CD1-CB 3.84Å; L848-A966 HydrophobicContact CG-CB 4.01Å; L848-I967 HydrophobicContact CD1-CG1 4.04Å; L848-I967 HydrophobicContact CD2-CD1 4.22Å; L848-I967 HydrophobicContact CD2-CG1 3.8Å; L848-I967 HydrophobicContact CG-CG1 4.46Å
849	R	80.3	Confident	66.2	Low	66 Å²	66	61.2 Å²	61.2	25%	0.249	30%	0.303	C	S	.	.			trans	-57.9	124.2	-176.8	175.2	166.8	159.4	166.6	0.6	112.1	F841 E844 S846 D851 N953 T954	F841-R849 CarbonylContact O-C 3.26Å; F841-R849 WeakPolarHBondContact O-CA 3.45Å; E844-R849 WeakPolarHBondContact O-CD 3.34Å; E844-R849 PolarHBondContact O-NH1 3.21Å; S846-R849 VanDerWaalsContact OG-CA 3.31Å; S846-R849 WeakPolarHBondContact OG-CA 3.38Å; S846-R849 WeakPolarHBondContact OG-CB 3.36Å; R849-D851 IonicContact CZ-OD1 3.2Å; R849-D851 IonicContact NE-OD1 2.85Å; R849-D851 PolarHBondContact NE-OD1 2.83Å; R849-D851 IonicContact NE-OD2 2.8Å; R849-D851 IonicContact NH2-OD1 3.2Å; R849-D851 PolarHBondContact NH2-OD1 2.9Å; R849-N953 PolarHBondContact O-ND2 3.13Å; R849-T954 VanDerWaalsContact CD-OG1 3.26Å; R849-T954 WeakPolarHBondContact CD-OG1 3.49Å; R849-T954 PolarHBondContact NE-OG1 2.88Å
850	L	81.9	Confident	64.8	Low	9 Å²	9	64.7 Å²	64.7	5%	0.047	33%	0.327	C	S	.	.			trans	-86.8	117.3	163.5	-71.2	169.8	0	0	0	109.3	T805 W806 F809 F841 L842 L848 V852 I873	T805-L850 HydrophobicContact CG2-CD2 3.61Å; T805-L850 HydrophobicContact CG2-CG 3.79Å; W806-L850 HydrophobicContact CD2-CD2 3.56Å; W806-L850 HydrophobicContact CE3-CD2 3.51Å; W806-L850 HydrophobicContact CG-CD2 4.05Å; W806-L850 HydrophobicContact CH2-CD2 4.25Å; W806-L850 HydrophobicContact CZ2-CD2 4.28Å; W806-L850 HydrophobicContact CZ3-CD2 3.88Å; F809-L850 HydrophobicContact CB-CD1 3.85Å; F809-L850 HydrophobicContact CD1-CD1 4.17Å; F809-L850 HydrophobicContact CD2-CD1 3.58Å; F809-L850 HydrophobicContact CE2-CD1 4.15Å; F809-L850 HydrophobicContact CG-CD1 3.58Å; F841-L850 HydrophobicContact CB-CD1 4.13Å; F841-L850 HydrophobicContact CB-CG 4.46Å; F841-L850 HydrophobicContact CD1-CD1 4.48Å; F841-L850 HydrophobicContact CD1-CG 4.47Å; F841-L850 PolarHBondContact O-N 3.46Å; L842-L850 HydrophobicContact CD2-CB 4.43Å; L842-L850 HydrophobicContact CD2-CD1 3.89Å; L848-L850 PolarHBondContact O-N 2.89Å; L850-V852 VanDerWaalsContact C-N 3.3Å; L850-V852 HydrophobicContact CB-CG2 4.03Å; L850-V852 PolarHBondContact O-N 3.04Å; L850-V852 VanDerWaalsContact O-N 3.09Å; L850-I873 HydrophobicContact CD1-CG2 4.05Å
851	D	70.7	Confident	63.5	Low	79 Å²	79	65.9 Å²	65.9	42%	0.422	33%	0.331	S	S	.	.			trans	-85.3	71.1	173.8	-85.4	-53.1	0	0	0	111.1	R849 T954	R849-D851 IonicContact CZ-OD1 3.2Å; R849-D851 IonicContact NE-OD1 2.85Å; R849-D851 PolarHBondContact NE-OD1 2.83Å; R849-D851 IonicContact NE-OD2 2.8Å; R849-D851 IonicContact NH2-OD1 3.2Å; R849-D851 PolarHBondContact NH2-OD1 2.9Å; D851-T954 WeakPolarHBondContact OD2-CG2 3.37Å; D851-T954 PolarHBondContact OD2-OG1 2.94Å
852	V	66.5	Low	62.3	Low	34 Å²	34	71.2 Å²	71.2	21%	0.206	36%	0.36	C	S	.	.			trans	-87.9	133.4	174.1	-172.5	0	0	0	0	110.4	W806 L850 T854 I873	W806-V852 HydrophobicContact CH2-CG2 4.26Å; W806-V852 HydrophobicContact CZ3-CG2 4.08Å; L850-V852 VanDerWaalsContact C-N 3.3Å; L850-V852 HydrophobicContact CB-CG2 4.03Å; L850-V852 PolarHBondContact O-N 3.04Å; L850-V852 VanDerWaalsContact O-N 3.09Å; V852-T854 VanDerWaalsContact C-N 3.34Å; V852-T854 HydrophobicContact CG1-CG2 4.25Å; V852-T854 PolarHBondContact O-N 3.06Å; V852-I873 HydrophobicContact CG2-CG2 4.2Å
853	R	49.6	Very low	61.3	Low	248 Å²	248	72.5 Å²	72.5	94%	0.936	37%	0.365	S	S	*	.			trans	-80.3	74.5	175.5	-68	-179.3	177.7	165.4	-1.7	111.7
854	T	46.6	Very low	60.7	Low	47 Å²	47	77.7 Å²	77.7	29%	0.288	39%	0.394	S	S	.	.			trans	-126.5	106.9	176	25.6	0	0	0	0	111.9	V852 I856 F872	V852-T854 VanDerWaalsContact C-N 3.34Å; V852-T854 HydrophobicContact CG1-CG2 4.25Å; V852-T854 PolarHBondContact O-N 3.06Å; T854-I856 PolarHBondContact O-N 3.04Å; T854-F872 HydrophobicContact CG2-CD1 4.26Å; T854-F872 HydrophobicContact CG2-CE1 3.61Å
855	P	43.2	Very low	60.8	Low	124 Å²	124	77.1 Å²	77.1	81%	0.805	39%	0.391	S	S	*	.			trans	-70	9.2	-177.9	-22	34.6	0	0	0	116.6
856	I	40.3	Very low	61.1	Low	78 Å²	78	74.6 Å²	74.6	40%	0.4	38%	0.38	S	S	.	.	S	Bend	trans	-115.6	129.1	-157.4	-48.5	177.6	0	0	0	111.8	T854 L858 L2092	T854-I856 PolarHBondContact O-N 3.04Å; I856-L858 PolarHBondContact O-N 2.97Å; I856-L2092 HydrophobicContact CD1-CB 4.02Å; I856-L2092 HydrophobicContact CD1-CD1 4.12Å; I856-L2092 HydrophobicContact CD1-CD2 4.1Å; I856-L2092 HydrophobicContact CD1-CG 4.31Å; I856-L2092 HydrophobicContact CG1-CD1 4.27Å; I856-L2092 HydrophobicContact CG1-CD2 4.1Å
857	A	42.9	Very low	61.2	Low	44 Å²	44	76.3 Å²	76.3	36%	0.364	39%	0.392	S	S	.	.	S	Bend	trans	67.1	4.9	161.3	0	0	0	0	0	121.5	K859 S860	A857-K859 PolarHBondContact O-N 3.46Å; A857-K859 VanDerWaalsContact O-N 3.15Å; A857-S860 CarbonylContact O-C 3.42Å; A857-S860 VanDerWaalsContact O-C 3.26Å; A857-S860 PolarHBondContact O-N 2.83Å
858	L	49.2	Very low	61.1	Low	79 Å²	79	81.7 Å²	81.7	41%	0.414	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-23	172.2	-63.4	-171.9	0	0	0	114.1	F838 L842 I856	F838-L858 HydrophobicContact CD2-CD2 4.28Å; F838-L858 HydrophobicContact CE2-CD2 3.39Å; F838-L858 HydrophobicContact CZ-CB 4.49Å; F838-L858 HydrophobicContact CZ-CD2 3.84Å; L842-L858 HydrophobicContact CB-CD2 4.49Å; I856-L858 PolarHBondContact O-N 2.97Å
859	K	43.4	Very low	61	Low	216 Å²	216	83.5 Å²	83.5	94%	0.939	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-5.8	175.1	-71.9	-176.8	177.6	175.8	0	114.4	A857	A857-K859 PolarHBondContact O-N 3.46Å; A857-K859 VanDerWaalsContact O-N 3.15Å
860	S	48.5	Very low	61.3	Low	74 Å²	74	80.4 Å²	80.4	52%	0.517	41%	0.411	S	S	.	.	S	Bend	trans	-150.1	73.6	-179.6	57.1	0	0	0	0	109.7	A857 D862	A857-S860 CarbonylContact O-C 3.42Å; A857-S860 VanDerWaalsContact O-C 3.26Å; A857-S860 PolarHBondContact O-N 2.83Å; S860-D862 PolarHBondContact O-N 2.81Å
861	F	54.1	Low	61.3	Low	35 Å²	35	82.9 Å²	82.9	15%	0.154	42%	0.424	C	S	.	.			trans	-72.5	85.8	-177.8	-175.2	-115.3	0	0	0	111.5	C834 L835 F838 F863 C866 F870	C834-F861 HydrophobicContact CB-CE1 4.07Å; C834-F861 HydrophobicContact CB-CZ 3.89Å; C834-F861 WeakPolarHBondContact O-CZ 3.4Å; L835-F861 HydrophobicContact CG-CE1 4.36Å; F838-F861 HydrophobicContact CB-CE1 4.22Å; F838-F861 HydrophobicContact CB-CE2 3.81Å; F838-F861 HydrophobicContact CB-CZ 3.61Å; F838-F861 AromaticContact CD2-CD2 3.26Å; F838-F861 HydrophobicContact CD2-CD2 3.26Å; F838-F861 AromaticContact CD2-CE2 3.19Å; F838-F861 HydrophobicContact CD2-CE2 3.19Å; F838-F861 AromaticContact CD2-CG 4Å; F838-F861 HydrophobicContact CD2-CG 4Å; F838-F861 AromaticContact CD2-CZ 3.88Å; F838-F861 HydrophobicContact CD2-CZ 3.88Å; F838-F861 HydrophobicContact CE2-CB 4.24Å; F838-F861 AromaticContact CE2-CD2 3.38Å; F838-F861 HydrophobicContact CE2-CD2 3.38Å; F838-F861 AromaticContact CE2-CE2 3.86Å; F838-F861 HydrophobicContact CE2-CE2 3.86Å; F838-F861 AromaticContact CE2-CG 3.96Å; F838-F861 HydrophobicContact CE2-CG 3.96Å; F838-F861 AromaticContact CG-CD2 3.98Å; F838-F861 HydrophobicContact CG-CD2 3.98Å; F838-F861 HydrophobicContact CG-CE1 4.39Å; F838-F861 AromaticContact CG-CE2 3.73Å; F838-F861 HydrophobicContact CG-CE2 3.73Å; F838-F861 HydrophobicContact CG-CG 4.4Å; F838-F861 AromaticContact CG-CZ 3.92Å; F838-F861 HydrophobicContact CG-CZ 3.92Å; F838-F861 HydrophobicContact CZ-CB 4.35Å; F838-F861 HydrophobicContact CZ-CD2 4.24Å; F838-F861 HydrophobicContact CZ-CG 4.39Å; F861-F863 HydrophobicContact CD1-CD1 4.39Å; F861-F863 HydrophobicContact CD1-CE1 4.03Å; F861-F863 HydrophobicContact CD1-CZ 4.23Å; F861-F863 HydrophobicContact CE1-CD1 4.07Å; F861-F863 AromaticContact CE1-CE1 3.8Å; F861-F863 HydrophobicContact CE1-CE1 3.8Å; F861-F863 HydrophobicContact CE1-CZ 4.44Å; F861-F863 PolarHBondContact O-N 3.26Å; F861-C866 WeakPolarHBondContact CE2-SG 3.5Å; F861-C866 HydrophobicContact CZ-CB 4.39Å; F861-C866 WeakPolarHBondContact CZ-SG 3.44Å; F861-F870 HydrophobicContact CE2-CE1 4.42Å; F861-F870 HydrophobicContact CE2-CZ 4.43Å; F861-F870 HydrophobicContact CZ-CZ 4.19Å
862	D	59.8	Low	61.9	Low	113 Å²	113	82.9 Å²	82.9	60%	0.604	42%	0.42	S	S	*	.			trans	-80.9	112	177.9	-96.6	-48.5	0	0	0	111.9	S860 N864 E865 C866	S860-D862 PolarHBondContact O-N 2.81Å; D862-N864 PolarHBondContact O-N 2.96Å; D862-E865 PolarHBondContact O-N 3.49Å; D862-C866 PolarHBondContact O-SG 3.37Å
863	F	61.7	Low	62.7	Low	46 Å²	46	81.5 Å²	81.5	20%	0.202	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-52.6	-32.9	-173.2	-69	-78.9	0	0	0	114.7	K831 C834 L835 F861 E865 C866	K831-F863 HydrophobicContact CB-CD1 3.61Å; K831-F863 HydrophobicContact CB-CE1 3.6Å; K831-F863 HydrophobicContact CB-CG 4.23Å; K831-F863 HydrophobicContact CB-CZ 4.24Å; K831-F863 HydrophobicContact CD-CB 4.18Å; K831-F863 HydrophobicContact CD-CD1 4Å; K831-F863 HydrophobicContact CD-CD2 3.84Å; K831-F863 HydrophobicContact CD-CE1 4.33Å; K831-F863 HydrophobicContact CD-CE2 4.2Å; K831-F863 HydrophobicContact CD-CG 3.71Å; K831-F863 HydrophobicContact CD-CZ 4.43Å; K831-F863 HydrophobicContact CG-CB 4.07Å; K831-F863 HydrophobicContact CG-CD1 3.57Å; K831-F863 HydrophobicContact CG-CD2 4.33Å; K831-F863 HydrophobicContact CG-CE1 4.04Å; K831-F863 HydrophobicContact CG-CG 3.72Å; K831-F863 WeakPolarHBondContact O-CE1 3.36Å; C834-F863 HydrophobicContact CB-CD1 4.27Å; L835-F863 HydrophobicContact CD1-CE1 4.04Å; L835-F863 HydrophobicContact CD1-CZ 3.93Å; L835-F863 HydrophobicContact CG-CE1 3.91Å; L835-F863 HydrophobicContact CG-CZ 4.09Å; F861-F863 HydrophobicContact CD1-CD1 4.39Å; F861-F863 HydrophobicContact CD1-CE1 4.03Å; F861-F863 HydrophobicContact CD1-CZ 4.23Å; F861-F863 HydrophobicContact CE1-CD1 4.07Å; F861-F863 AromaticContact CE1-CE1 3.8Å; F861-F863 HydrophobicContact CE1-CE1 3.8Å; F861-F863 HydrophobicContact CE1-CZ 4.44Å; F861-F863 PolarHBondContact O-N 3.26Å; F863-E865 VanDerWaalsContact C-N 3.26Å; F863-E865 PolarHBondContact O-N 2.91Å; F863-C866 VanDerWaalsContact CA-SG 3.53Å; F863-C866 WeakPolarHBondContact O-CB 3.37Å; F863-C866 PolarHBondContact O-N 3.44Å; F863-C866 PolarHBondContact O-SG 3.42Å
864	N	61.2	Low	64.4	Low	139 Å²	139	70 Å²	70	74%	0.743	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-72.9	-16.1	-175.9	-59.7	-3.8	0	0	0	113.4	D862	D862-N864 PolarHBondContact O-N 2.96Å
865	E	70.3	Confident	66.2	Low	103 Å²	103	73.7 Å²	73.7	48%	0.481	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-105.1	-6.1	-179.1	-61.5	-114.9	104.5	0	0	112.4	D862 F863 S867 K868 L869	D862-E865 PolarHBondContact O-N 3.49Å; F863-E865 VanDerWaalsContact C-N 3.26Å; F863-E865 PolarHBondContact O-N 2.91Å; E865-S867 VanDerWaalsContact C-N 3.33Å; E865-S867 PolarHBondContact O-N 3.28Å; E865-K868 WeakPolarHBondContact O-CB 3.42Å; E865-K868 PolarHBondContact O-N 3.24Å; E865-K868 WeakPolarHBondContact OE1-CE 3.48Å; E865-K868 IonicContact OE1-NZ 3.31Å; E865-K868 PolarHBondContact OE1-NZ 2.97Å; E865-L869 PolarHBondContact O-N 3.04Å
866	C	75	Confident	68	Low	1 Å²	1	71.7 Å²	71.7	1%	0.007	36%	0.363	C	S	.	.	H	α-helix	trans	-57.8	-40.4	-173	-68.2	0	0	0	0	113.3	C834 F861 D862 F863 K868 L869 F870	C834-C866 HydrophobicContact CB-CB 4.11Å; C834-C866 VanDerWaalsContact SG-CB 3.53Å; F861-C866 WeakPolarHBondContact CE2-SG 3.5Å; F861-C866 HydrophobicContact CZ-CB 4.39Å; F861-C866 WeakPolarHBondContact CZ-SG 3.44Å; D862-C866 PolarHBondContact O-SG 3.37Å; F863-C866 VanDerWaalsContact CA-SG 3.53Å; F863-C866 WeakPolarHBondContact O-CB 3.37Å; F863-C866 PolarHBondContact O-N 3.44Å; F863-C866 PolarHBondContact O-SG 3.42Å; C866-K868 VanDerWaalsContact C-N 3.31Å; C866-K868 PolarHBondContact O-N 2.94Å; C866-L869 PolarHBondContact O-N 3.38Å; C866-F870 HydrophobicContact CB-CE2 4.09Å; C866-F870 HydrophobicContact CB-CZ 4.14Å; C866-F870 WeakPolarHBondContact O-CB 3.28Å; C866-F870 WeakPolarHBondContact O-CD2 3.49Å; C866-F870 WeakPolarHBondContact O-CG 3.12Å; C866-F870 PolarHBondContact O-N 2.8Å
867	S	77	Confident	70.1	Confident	38 Å²	38	68 Å²	68	27%	0.266	34%	0.344	S	S	.	.	H	α-helix	trans	-60.9	-37.1	175.7	175.7	0	0	0	0	112.5	Q817 E865 N871	Q817-S867 PolarHBondContact NE2-O 2.89Å; Q817-S867 PolarHBondContact NE2-OG 3.19Å; Q817-S867 PolarHBondContact OE1-OG 3.3Å; E865-S867 VanDerWaalsContact C-N 3.33Å; E865-S867 PolarHBondContact O-N 3.28Å; S867-N871 WeakPolarHBondContact O-CB 3.36Å; S867-N871 PolarHBondContact O-N 3.43Å; S867-N871 VanDerWaalsContact O-N 3.13Å; S867-N871 PolarHBondContact O-ND2 2.76Å
868	K	77.5	Confident	72.2	Confident	138 Å²	138	68 Å²	68	60%	0.6	34%	0.338	S	S	*	.	H	α-helix	trans	-69.3	-48	174.6	-57.3	178.5	-175.4	172	0	111.2	E865 C866 F870 N871 F872	E865-K868 WeakPolarHBondContact O-CB 3.42Å; E865-K868 PolarHBondContact O-N 3.24Å; E865-K868 WeakPolarHBondContact OE1-CE 3.48Å; E865-K868 IonicContact OE1-NZ 3.31Å; E865-K868 PolarHBondContact OE1-NZ 2.97Å; C866-K868 VanDerWaalsContact C-N 3.31Å; C866-K868 PolarHBondContact O-N 2.94Å; K868-F870 VanDerWaalsContact C-N 3.35Å; K868-F870 PolarHBondContact O-N 3Å; K868-N871 PolarHBondContact O-N 3.08Å; K868-F872 PolarHBondContact O-N 3.4Å
869	L	81.3	Confident	73.9	Confident	43 Å²	43	68.7 Å²	68.7	23%	0.225	34%	0.342	C	S	.	.	H	α-helix	trans	-59.7	-46	-179.5	178.6	63.7	0	0	0	111.1	E865 C866 F872 I873	E865-L869 PolarHBondContact O-N 3.04Å; C866-L869 PolarHBondContact O-N 3.38Å; L869-F872 PolarHBondContact O-N 3.26Å; L869-I873 HydrophobicContact CD1-CD1 4.05Å; L869-I873 HydrophobicContact CG-CD1 3.99Å; L869-I873 WeakPolarHBondContact O-CD1 3.35Å; L869-I873 VanDerWaalsContact O-CG1 3.29Å; L869-I873 WeakPolarHBondContact O-CG1 3.19Å; L869-I873 PolarHBondContact O-N 2.86Å
870	F	85.8	Confident	75.9	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64.7	-41.2	177.5	-60.4	-20.3	0	0	0	111.5	F809 N813 F816 C834 I837 L842 F861 C866 K868 I873 D874	F809-F870 HydrophobicContact CZ-CB 4.1Å; F809-F870 HydrophobicContact CZ-CD1 4.33Å; F809-F870 HydrophobicContact CZ-CG 4.41Å; N813-F870 VanDerWaalsContact OD1-CB 3.31Å; N813-F870 WeakPolarHBondContact OD1-CB 3.03Å; F816-F870 HydrophobicContact CD1-CD2 4.26Å; F816-F870 HydrophobicContact CE1-CD2 4.23Å; F816-F870 HydrophobicContact CE1-CE2 4.49Å; C834-F870 HydrophobicContact CB-CE2 4.32Å; C834-F870 HydrophobicContact CB-CZ 4.33Å; I837-F870 HydrophobicContact CB-CE2 4.13Å; I837-F870 HydrophobicContact CB-CZ 3.98Å; I837-F870 HydrophobicContact CD1-CD2 4.42Å; I837-F870 HydrophobicContact CD1-CE2 4.05Å; I837-F870 HydrophobicContact CG2-CD1 4.35Å; I837-F870 HydrophobicContact CG2-CD2 4.34Å; I837-F870 HydrophobicContact CG2-CE1 3.95Å; I837-F870 HydrophobicContact CG2-CE2 3.95Å; I837-F870 HydrophobicContact CG2-CZ 3.73Å; L842-F870 HydrophobicContact CD1-CD1 4.02Å; L842-F870 HydrophobicContact CD1-CE1 3.76Å; F861-F870 HydrophobicContact CE2-CE1 4.42Å; F861-F870 HydrophobicContact CE2-CZ 4.43Å; F861-F870 HydrophobicContact CZ-CZ 4.19Å; C866-F870 HydrophobicContact CB-CE2 4.09Å; C866-F870 HydrophobicContact CB-CZ 4.14Å; C866-F870 WeakPolarHBondContact O-CB 3.28Å; C866-F870 WeakPolarHBondContact O-CD2 3.49Å; C866-F870 WeakPolarHBondContact O-CG 3.12Å; C866-F870 PolarHBondContact O-N 2.8Å; K868-F870 VanDerWaalsContact C-N 3.35Å; K868-F870 PolarHBondContact O-N 3Å; F870-I873 CarbonylContact O-C 3.27Å; F870-I873 PolarHBondContact O-N 2.6Å; F870-D874 WeakPolarHBondContact O-CB 3.05Å; F870-D874 PolarHBondContact O-N 3.12Å
871	N	83.1	Confident	77.8	Confident	61 Å²	61	58.9 Å²	58.9	33%	0.326	29%	0.291	S	S	.	.	H	α-helix	trans	-67.5	-35	177	-71.3	-11.6	0	0	0	113.6	N813 Q817 S867 K868 D874 Q875	N813-N871 PolarHBondContact ND2-OD1 3.11Å; Q817-N871 VanDerWaalsContact NE2-CG 3.29Å; Q817-N871 PolarHBondContact NE2-ND2 3.24Å; Q817-N871 VanDerWaalsContact NE2-ND2 3.19Å; Q817-N871 PolarHBondContact NE2-OD1 3.45Å; S867-N871 WeakPolarHBondContact O-CB 3.36Å; S867-N871 PolarHBondContact O-N 3.43Å; S867-N871 VanDerWaalsContact O-N 3.13Å; S867-N871 PolarHBondContact O-ND2 2.76Å; K868-N871 PolarHBondContact O-N 3.08Å; N871-D874 WeakPolarHBondContact O-CB 3.49Å; N871-D874 PolarHBondContact O-N 2.66Å; N871-Q875 PolarHBondContact O-N 2.8Å; N871-Q875 VanDerWaalsContact O-N 3.13Å
872	F	82.7	Confident	79.5	Confident	79 Å²	79	60.8 Å²	60.8	35%	0.346	30%	0.3	S	S	.	.	H	α-helix	trans	-63.8	-43.4	171.5	177.2	-90.4	0	0	0	111.3	T854 K868 L869 D874 Q875 Q876	T854-F872 HydrophobicContact CG2-CD1 4.26Å; T854-F872 HydrophobicContact CG2-CE1 3.61Å; K868-F872 PolarHBondContact O-N 3.4Å; L869-F872 PolarHBondContact O-N 3.26Å; F872-D874 VanDerWaalsContact C-N 3.28Å; F872-D874 PolarHBondContact O-N 3.16Å; F872-Q875 PolarHBondContact O-N 3.25Å; F872-Q876 HydrophobicContact CE1-CG 4.27Å; F872-Q876 PolarHBondContact O-N 3.22Å
873	I	84.3	Confident	80.8	Confident	5 Å²	5	59.5 Å²	59.5	3%	0.026	29%	0.293	C	S	.	.	H	α-helix	trans	-65.2	-35.5	174.1	-66.2	165	0	0	0	110.4	F809 L842 L850 V852 L869 F870 Q875 Q876 C877	F809-I873 HydrophobicContact CD1-CG2 4.19Å; F809-I873 HydrophobicContact CE1-CB 4.07Å; F809-I873 HydrophobicContact CE1-CG2 3.57Å; F809-I873 HydrophobicContact CE2-CG2 4.41Å; F809-I873 HydrophobicContact CZ-CB 4.06Å; F809-I873 HydrophobicContact CZ-CG2 3.69Å; L842-I873 HydrophobicContact CD1-CD1 3.73Å; L842-I873 HydrophobicContact CD2-CD1 3.82Å; L842-I873 HydrophobicContact CD2-CG2 4.47Å; L842-I873 HydrophobicContact CG-CD1 4.45Å; L850-I873 HydrophobicContact CD1-CG2 4.05Å; V852-I873 HydrophobicContact CG2-CG2 4.2Å; L869-I873 HydrophobicContact CD1-CD1 4.05Å; L869-I873 HydrophobicContact CG-CD1 3.99Å; L869-I873 WeakPolarHBondContact O-CD1 3.35Å; L869-I873 VanDerWaalsContact O-CG1 3.29Å; L869-I873 WeakPolarHBondContact O-CG1 3.19Å; L869-I873 PolarHBondContact O-N 2.86Å; F870-I873 CarbonylContact O-C 3.27Å; F870-I873 PolarHBondContact O-N 2.6Å; I873-Q875 VanDerWaalsContact C-N 3.35Å; I873-Q875 PolarHBondContact O-N 2.64Å; I873-Q876 CarbonylContact O-C 3.42Å; I873-Q876 WeakPolarHBondContact O-CB 3.27Å; I873-Q876 PolarHBondContact O-N 3.49Å; I873-Q876 VanDerWaalsContact O-N 3.1Å; I873-C877 PolarHBondContact O-N 3.5Å; I873-C877 PolarHBondContact O-SG 2.97Å
874	D	85.4	Confident	82	Confident	7 Å²	7	59.5 Å²	59.5	4%	0.037	29%	0.293	C	S	.	.	H	α-helix	trans	-62.7	-39.3	179.3	-150.6	18.8	0	0	0	112.2	F809 H810 N813 Q814 F870 N871 F872 C877 L878	F809-D874 HydrophobicContact CE1-CB 4.46Å; H810-D874 VanDerWaalsContact CA-OD1 3.32Å; H810-D874 WeakPolarHBondContact CA-OD1 3.34Å; H810-D874 IonicContact CE1-OD1 2.73Å; H810-D874 IonicContact CE1-OD2 3.94Å; H810-D874 IonicContact CG-OD1 2.84Å; H810-D874 VanDerWaalsContact ND1-CG 3.34Å; H810-D874 IonicContact ND1-OD1 3.73Å; H810-D874 PolarHBondContact ND1-OD1 2.96Å; H810-D874 IonicContact ND1-OD2 3.39Å; H810-D874 PolarHBondContact ND1-OD2 2.72Å; N813-D874 VanDerWaalsContact ND2-CG 3.33Å; N813-D874 PolarHBondContact ND2-OD2 3.35Å; Q814-D874 PolarHBondContact NE2-OD2 3.24Å; F870-D874 WeakPolarHBondContact O-CB 3.05Å; F870-D874 PolarHBondContact O-N 3.12Å; N871-D874 WeakPolarHBondContact O-CB 3.49Å; N871-D874 PolarHBondContact O-N 2.66Å; F872-D874 VanDerWaalsContact C-N 3.28Å; F872-D874 PolarHBondContact O-N 3.16Å; D874-C877 WeakPolarHBondContact O-CB 2.85Å; D874-C877 PolarHBondContact O-N 3.43Å; D874-L878 WeakPolarHBondContact O-CG 3.23Å; D874-L878 PolarHBondContact O-N 3.21Å
875	Q	82.7	Confident	83.4	Confident	124 Å²	124	52.9 Å²	52.9	58%	0.579	26%	0.258	S	S	*	.	H	α-helix	trans	-63.4	-40.3	171.9	-70.5	177.8	-25.2	0	0	112.2	N871 F872 I873 C877 L878	N871-Q875 PolarHBondContact O-N 2.8Å; N871-Q875 VanDerWaalsContact O-N 3.13Å; F872-Q875 PolarHBondContact O-N 3.25Å; I873-Q875 VanDerWaalsContact C-N 3.35Å; I873-Q875 PolarHBondContact O-N 2.64Å; Q875-C877 VanDerWaalsContact C-N 3.32Å; Q875-L878 PolarHBondContact O-N 3.15Å
876	Q	80.9	Confident	84.2	Confident	82 Å²	82	50.8 Å²	50.8	38%	0.383	26%	0.255	S	S	.	.	H	α-helix	trans	-67.7	-33.4	173.6	-61.6	-64.6	-30.7	0	0	112	F872 I873 Q880	F872-Q876 HydrophobicContact CE1-CG 4.27Å; F872-Q876 PolarHBondContact O-N 3.22Å; I873-Q876 CarbonylContact O-C 3.42Å; I873-Q876 WeakPolarHBondContact O-CB 3.27Å; I873-Q876 PolarHBondContact O-N 3.49Å; I873-Q876 VanDerWaalsContact O-N 3.1Å; Q876-Q880 PolarHBondContact O-N 2.94Å
877	C	85.4	Confident	84.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-67.6	-41.8	175.1	-69.2	0	0	0	0	112.3	W806 I873 D874 Q875 N879 Q880 I881	W806-C877 HydrophobicContact CE3-CB 4.28Å; I873-C877 PolarHBondContact O-N 3.5Å; I873-C877 PolarHBondContact O-SG 2.97Å; D874-C877 WeakPolarHBondContact O-CB 2.85Å; D874-C877 PolarHBondContact O-N 3.43Å; Q875-C877 VanDerWaalsContact C-N 3.32Å; C877-N879 VanDerWaalsContact C-N 3.34Å; C877-N879 PolarHBondContact O-N 3.01Å; C877-Q880 PolarHBondContact O-N 3.41Å; C877-Q880 VanDerWaalsContact O-N 3.1Å; C877-I881 HydrophobicContact CB-CD1 4.45Å; C877-I881 VanDerWaalsContact O-CG1 3.25Å; C877-I881 WeakPolarHBondContact O-CG1 3.47Å; C877-I881 PolarHBondContact O-N 3.27Å
878	L	87	Confident	85.2	Confident	46 Å²	46	52.5 Å²	52.5	24%	0.241	26%	0.257	C	S	.	.	H	α-helix	trans	-56.5	-46.4	178	-77	168.6	0	0	0	111.7	L784 D874 Q875 Q880 I881 E882	L784-L878 HydrophobicContact CD1-CD2 3.73Å; D874-L878 WeakPolarHBondContact O-CG 3.23Å; D874-L878 PolarHBondContact O-N 3.21Å; Q875-L878 PolarHBondContact O-N 3.15Å; L878-Q880 VanDerWaalsContact C-N 3.28Å; L878-Q880 PolarHBondContact O-N 3.16Å; L878-I881 PolarHBondContact O-N 3.36Å; L878-I881 VanDerWaalsContact O-N 3.13Å; L878-E882 WeakPolarHBondContact O-CB 3.36Å; L878-E882 PolarHBondContact O-N 2.92Å
879	N	84.7	Confident	85.6	Confident	93 Å²	93	46.2 Å²	46.2	50%	0.497	23%	0.232	S	C	.	.	H	α-helix	trans	-58.6	-37.4	176.4	-61.5	-11.9	0	0	0	112.9	C877 L883	C877-N879 VanDerWaalsContact C-N 3.34Å; C877-N879 PolarHBondContact O-N 3.01Å; N879-L883 PolarHBondContact O-N 3.34Å
880	Q	84.7	Confident	85.7	Confident	83 Å²	83	49 Å²	49	39%	0.388	24%	0.243	S	C	.	.	H	α-helix	trans	-76.3	-34	177	-67.1	-61.6	-33	0	0	112.6	W806 Q876 C877 L878 Q884	W806-Q880 HydrophobicContact CD2-CB 3.88Å; W806-Q880 HydrophobicContact CD2-CG 4.13Å; W806-Q880 HydrophobicContact CE3-CB 3.89Å; W806-Q880 HydrophobicContact CE3-CG 3.86Å; W806-Q880 HydrophobicContact CG-CB 4.17Å; W806-Q880 HydrophobicContact CH2-CG 4.21Å; W806-Q880 HydrophobicContact CZ2-CG 4.47Å; W806-Q880 HydrophobicContact CZ3-CB 4.45Å; W806-Q880 HydrophobicContact CZ3-CG 3.9Å; Q876-Q880 PolarHBondContact O-N 2.94Å; C877-Q880 PolarHBondContact O-N 3.41Å; C877-Q880 VanDerWaalsContact O-N 3.1Å; L878-Q880 VanDerWaalsContact C-N 3.28Å; L878-Q880 PolarHBondContact O-N 3.16Å; Q880-Q884 WeakPolarHBondContact O-CG 3.36Å; Q880-Q884 PolarHBondContact O-N 2.75Å
881	I	88.6	Confident	85.4	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-67.9	-43	174.4	-65.4	161	0	0	0	109.7	A780 L784 F793 W806 H810 C877 L878 L883 Q884 V885	A780-I881 HydrophobicContact CB-CB 4.45Å; A780-I881 HydrophobicContact CB-CG2 3.95Å; L784-I881 HydrophobicContact CD1-CD1 4.17Å; L784-I881 HydrophobicContact CD1-CG2 4.16Å; F793-I881 HydrophobicContact CE1-CG2 3.78Å; F793-I881 HydrophobicContact CZ-CG2 4.06Å; W806-I881 HydrophobicContact CB-CG1 4Å; H810-I881 HydrophobicContact CB-CD1 3.87Å; C877-I881 HydrophobicContact CB-CD1 4.45Å; C877-I881 VanDerWaalsContact O-CG1 3.25Å; C877-I881 WeakPolarHBondContact O-CG1 3.47Å; C877-I881 PolarHBondContact O-N 3.27Å; L878-I881 PolarHBondContact O-N 3.36Å; L878-I881 VanDerWaalsContact O-N 3.13Å; I881-L883 PolarHBondContact O-N 3.08Å; I881-Q884 CarbonylContact O-C 3.54Å; I881-Q884 WeakPolarHBondContact O-CA 3.42Å; I881-Q884 WeakPolarHBondContact O-CB 3.28Å; I881-Q884 PolarHBondContact O-N 2.92Å; I881-V885 HydrophobicContact CG2-CG2 3.92Å; I881-V885 WeakPolarHBondContact O-CB 3.42Å; I881-V885 WeakPolarHBondContact O-CG2 3.21Å; I881-V885 PolarHBondContact O-N 2.86Å
882	E	89.6	Confident	85.3	Confident	75 Å²	75	48.1 Å²	48.1	35%	0.35	24%	0.241	S	C	.	.	H	α-helix	trans	-58.5	-46.9	177.5	-164.1	149.7	-109.9	0	0	111.3	A780 L878 Q884 V885 S886	A780-E882 HydrophobicContact CB-CB 3.97Å; A780-E882 HydrophobicContact CB-CG 4.38Å; L878-E882 WeakPolarHBondContact O-CB 3.36Å; L878-E882 PolarHBondContact O-N 2.92Å; E882-Q884 PolarHBondContact O-N 3.19Å; E882-Q884 VanDerWaalsContact O-N 3.11Å; E882-V885 PolarHBondContact O-N 3.38Å; E882-S886 PolarHBondContact O-N 3.08Å; E882-S886 PolarHBondContact O-OG 3.34Å; E882-S886 VanDerWaalsContact O-OG 3.09Å
883	L	87.6	Confident	85	Confident	85 Å²	85	48.5 Å²	48.5	45%	0.445	25%	0.247	S	C	.	.	H	α-helix	trans	-59.9	-22.8	172.9	-177.1	61	0	0	0	114.4	N879 I881 K887	N879-L883 PolarHBondContact O-N 3.34Å; I881-L883 PolarHBondContact O-N 3.08Å; L883-K887 WeakPolarHBondContact O-CD 2.89Å; L883-K887 WeakPolarHBondContact O-CE 3.46Å; L883-K887 VanDerWaalsContact O-CG 3.25Å; L883-K887 WeakPolarHBondContact O-CG 3.16Å
884	Q	87.7	Confident	84.4	Confident	46 Å²	46	53.3 Å²	53.3	22%	0.215	27%	0.272	C	S	.	.	H	α-helix	trans	-89	-32.2	173.5	-66	-66.5	-10.4	0	0	112.5	F793 Q880 I881 E882 K887 L888	F793-Q884 HydrophobicContact CE2-CB 3.99Å; F793-Q884 HydrophobicContact CZ-CB 3.77Å; Q880-Q884 WeakPolarHBondContact O-CG 3.36Å; Q880-Q884 PolarHBondContact O-N 2.75Å; I881-Q884 CarbonylContact O-C 3.54Å; I881-Q884 WeakPolarHBondContact O-CA 3.42Å; I881-Q884 WeakPolarHBondContact O-CB 3.28Å; I881-Q884 PolarHBondContact O-N 2.92Å; E882-Q884 PolarHBondContact O-N 3.19Å; E882-Q884 VanDerWaalsContact O-N 3.11Å; Q884-K887 PolarHBondContact O-N 3.31Å; Q884-L888 PolarHBondContact O-N 2.89Å
885	V	89.9	Confident	83.6	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-72	-45.3	177.5	164.1	0	0	0	0	110.7	F777 A780 V783 F793 I881 E882 K887 L888 A889	F777-V885 WeakPolarHBondContact O-CG1 3.46Å; A780-V885 HydrophobicContact CB-CG2 4.49Å; V783-V885 HydrophobicContact CG1-CG2 4.47Å; V783-V885 HydrophobicContact CG2-CG1 4Å; F793-V885 HydrophobicContact CD1-CG2 4.29Å; F793-V885 HydrophobicContact CD2-CG2 3.9Å; F793-V885 HydrophobicContact CE1-CG2 3.95Å; F793-V885 HydrophobicContact CE2-CB 4.41Å; F793-V885 HydrophobicContact CE2-CG2 3.53Å; F793-V885 HydrophobicContact CG-CG2 4.27Å; F793-V885 HydrophobicContact CZ-CG2 3.56Å; I881-V885 HydrophobicContact CG2-CG2 3.92Å; I881-V885 WeakPolarHBondContact O-CB 3.42Å; I881-V885 WeakPolarHBondContact O-CG2 3.21Å; I881-V885 PolarHBondContact O-N 2.86Å; E882-V885 PolarHBondContact O-N 3.38Å; V885-K887 PolarHBondContact O-N 3.41Å; V885-L888 WeakPolarHBondContact O-CA 3.4Å; V885-L888 WeakPolarHBondContact O-CB 3.48Å; V885-L888 PolarHBondContact O-N 3.45Å; V885-A889 PolarHBondContact O-N 3.31Å
886	S	87.9	Confident	82.1	Confident	59 Å²	59	53.2 Å²	53.2	41%	0.413	28%	0.283	S	S	.	.	H	α-helix	trans	-59.9	-31	171.7	-48.6	0	0	0	0	112.3	E882 L888 A889 E890	E882-S886 PolarHBondContact O-N 3.08Å; E882-S886 PolarHBondContact O-OG 3.34Å; E882-S886 VanDerWaalsContact O-OG 3.09Å; S886-L888 VanDerWaalsContact C-N 3.33Å; S886-A889 PolarHBondContact O-N 3.06Å; S886-E890 VanDerWaalsContact O-CB 3.29Å; S886-E890 WeakPolarHBondContact O-CB 3.33Å; S886-E890 PolarHBondContact O-N 3.22Å
887	K	86.4	Confident	80.4	Confident	74 Å²	74	54.7 Å²	54.7	32%	0.322	29%	0.294	S	S	.	.	H	α-helix	trans	-79	-11.7	173.6	-70.6	173.8	-170.5	167.5	0	114.2	Y796 R802 L883 Q884 V885 A891	Y796-K887 PolarHBondContact OH-O 3.41Å; Y796-K887 VanDerWaalsContact OH-O 3.06Å; R802-K887 VanDerWaalsContact NH1-CB 3.3Å; L883-K887 WeakPolarHBondContact O-CD 2.89Å; L883-K887 WeakPolarHBondContact O-CE 3.46Å; L883-K887 VanDerWaalsContact O-CG 3.25Å; L883-K887 WeakPolarHBondContact O-CG 3.16Å; Q884-K887 PolarHBondContact O-N 3.31Å; V885-K887 PolarHBondContact O-N 3.41Å; K887-A891 WeakPolarHBondContact O-CB 3.14Å
888	L	87.1	Confident	78.5	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-84	-47.3	165.3	170	57.9	0	0	0	109.2	F777 F793 Y796 Q884 V885 S886 E890 A891 I892 W899	F777-L888 HydrophobicContact CD1-CD2 3.59Å; F777-L888 HydrophobicContact CD1-CG 4.37Å; F777-L888 HydrophobicContact CE1-CD2 3.7Å; F777-L888 HydrophobicContact CG-CD2 4.22Å; F777-L888 HydrophobicContact CZ-CD2 4.4Å; F793-L888 HydrophobicContact CB-CD2 4.37Å; F793-L888 HydrophobicContact CD2-CD2 3.89Å; Y796-L888 HydrophobicContact CD1-CB 4.25Å; Y796-L888 HydrophobicContact CD1-CD1 4.26Å; Y796-L888 HydrophobicContact CD1-CD2 4.48Å; Y796-L888 HydrophobicContact CD2-CD1 3.61Å; Y796-L888 HydrophobicContact CE1-CB 4.07Å; Y796-L888 HydrophobicContact CE1-CD1 4.49Å; Y796-L888 HydrophobicContact CE2-CD1 3.85Å; Y796-L888 HydrophobicContact CG-CD1 3.81Å; Y796-L888 HydrophobicContact CG-CD2 4.42Å; Q884-L888 PolarHBondContact O-N 2.89Å; V885-L888 WeakPolarHBondContact O-CA 3.4Å; V885-L888 WeakPolarHBondContact O-CB 3.48Å; V885-L888 PolarHBondContact O-N 3.45Å; S886-L888 VanDerWaalsContact C-N 3.33Å; L888-E890 PolarHBondContact O-N 3Å; L888-A891 CarbonylContact O-C 3.46Å; L888-A891 PolarHBondContact O-N 3.28Å; L888-A891 VanDerWaalsContact O-N 3.08Å; L888-I892 HydrophobicContact CD1-CD1 3.81Å; L888-I892 HydrophobicContact CD1-CG1 3.99Å; L888-I892 HydrophobicContact CG-CD1 3.89Å; L888-I892 VanDerWaalsContact O-CG1 3.31Å; L888-I892 WeakPolarHBondContact O-CG1 3.25Å; L888-I892 PolarHBondContact O-N 3.18Å; L888-W899 HydrophobicContact CD1-CE3 4.46Å
889	A	85.4	Confident	76.7	Confident	7 Å²	7	58.8 Å²	58.8	6%	0.058	32%	0.317	C	S	.	.	H	α-helix	trans	-53.9	-49.6	172.9	0	0	0	0	0	112.1	S774 V885 S886 A891 I892 N893	S774-A889 WeakPolarHBondContact OG-CB 3.49Å; S774-A889 PolarHBondContact OG-O 3.24Å; V885-A889 PolarHBondContact O-N 3.31Å; S886-A889 PolarHBondContact O-N 3.06Å; A889-A891 VanDerWaalsContact C-N 3.34Å; A889-A891 PolarHBondContact O-N 3.42Å; A889-I892 PolarHBondContact O-N 2.83Å; A889-N893 PolarHBondContact O-N 3.38Å; A889-N893 PolarHBondContact O-ND2 3.32Å
890	E	83.4	Confident	74.9	Confident	100 Å²	100	59.1 Å²	59.1	47%	0.467	33%	0.325	S	S	.	.	H	α-helix	trans	-57.5	-42.6	173.3	-174.2	-178.5	-158.7	0	0	112.2	S886 L888 I892 N893 L894	S886-E890 VanDerWaalsContact O-CB 3.29Å; S886-E890 WeakPolarHBondContact O-CB 3.33Å; S886-E890 PolarHBondContact O-N 3.22Å; L888-E890 PolarHBondContact O-N 3Å; E890-I892 PolarHBondContact O-N 2.92Å; E890-N893 PolarHBondContact O-N 2.74Å; E890-L894 HydrophobicContact CG-CD1 3.89Å; E890-L894 HydrophobicContact CG-CG 4.48Å; E890-L894 VanDerWaalsContact O-CB 3.31Å; E890-L894 WeakPolarHBondContact O-CB 3.44Å; E890-L894 VanDerWaalsContact O-CG 3.23Å; E890-L894 WeakPolarHBondContact O-CG 3.35Å; E890-L894 PolarHBondContact O-N 2.96Å
891	A	79.9	Confident	73.2	Confident	20 Å²	20	57.2 Å²	57.2	17%	0.165	32%	0.317	C	S	.	.	H	α-helix	trans	-71.2	-27.3	178.9	0	0	0	0	0	113.7	K887 L888 A889 M896	K887-A891 WeakPolarHBondContact O-CB 3.14Å; L888-A891 CarbonylContact O-C 3.46Å; L888-A891 PolarHBondContact O-N 3.28Å; L888-A891 VanDerWaalsContact O-N 3.08Å; A889-A891 VanDerWaalsContact C-N 3.34Å; A889-A891 PolarHBondContact O-N 3.42Å; A891-M896 PolarHBondContact O-N 2.97Å; A891-M896 VanDerWaalsContact O-N 3.16Å
892	I	79.5	Confident	71.2	Confident	24 Å²	24	61.3 Å²	61.3	12%	0.123	35%	0.346	C	S	.	.	H	α-helix	trans	-71.9	-49.9	171.7	-67.7	164.2	0	0	0	109.5	L770 L773 F777 L888 A889 E890 L894 G895	L770-I892 HydrophobicContact CD2-CG2 4.08Å; L770-I892 WeakPolarHBondContact O-CG2 3.29Å; L773-I892 HydrophobicContact CB-CG2 4.15Å; F777-I892 HydrophobicContact CD2-CD1 4.04Å; F777-I892 HydrophobicContact CE2-CD1 4.43Å; L888-I892 HydrophobicContact CD1-CD1 3.81Å; L888-I892 HydrophobicContact CD1-CG1 3.99Å; L888-I892 HydrophobicContact CG-CD1 3.89Å; L888-I892 VanDerWaalsContact O-CG1 3.31Å; L888-I892 WeakPolarHBondContact O-CG1 3.25Å; L888-I892 PolarHBondContact O-N 3.18Å; A889-I892 PolarHBondContact O-N 2.83Å; E890-I892 PolarHBondContact O-N 2.92Å; I892-L894 VanDerWaalsContact C-N 3.3Å; I892-L894 PolarHBondContact O-N 3.5Å; I892-G895 WeakPolarHBondContact O-CA 3.29Å; I892-G895 PolarHBondContact O-N 2.86Å
893	N	76.6	Confident	69.3	Low	86 Å²	86	65 Å²	65	46%	0.46	36%	0.363	S	S	.	.	H	α-helix	trans	-60.8	-37.3	177.5	-74.2	-33	0	0	0	113	S774 A889 E890 G895	S774-N893 WeakPolarHBondContact CB-ND2 3.43Å; S774-N893 WeakPolarHBondContact CB-OD1 3.43Å; S774-N893 PolarHBondContact OG-ND2 3.37Å; S774-N893 PolarHBondContact OG-OD1 3.44Å; A889-N893 PolarHBondContact O-N 3.38Å; A889-N893 PolarHBondContact O-ND2 3.32Å; E890-N893 PolarHBondContact O-N 2.74Å; N893-G895 PolarHBondContact O-N 3.32Å
894	L	73.2	Confident	67.6	Low	106 Å²	106	66.8 Å²	66.8	56%	0.555	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	4.1	174.2	-68.6	173.2	0	0	0	113.7	E890 I892 M896	E890-L894 HydrophobicContact CG-CD1 3.89Å; E890-L894 HydrophobicContact CG-CG 4.48Å; E890-L894 VanDerWaalsContact O-CB 3.31Å; E890-L894 WeakPolarHBondContact O-CB 3.44Å; E890-L894 VanDerWaalsContact O-CG 3.23Å; E890-L894 WeakPolarHBondContact O-CG 3.35Å; E890-L894 PolarHBondContact O-N 2.96Å; I892-L894 VanDerWaalsContact C-N 3.3Å; I892-L894 PolarHBondContact O-N 3.5Å; L894-M896 HydrophobicContact CB-CG 3.89Å; L894-M896 PolarHBondContact O-N 3.05Å; L894-M896 VanDerWaalsContact O-N 3.1Å
895	G	66.9	Low	66.2	Low	40 Å²	40	66 Å²	66	41%	0.412	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	24.9	175.8	0	0	0	0	0	114.8	I892 N893 D897	I892-G895 WeakPolarHBondContact O-CA 3.29Å; I892-G895 PolarHBondContact O-N 2.86Å; N893-G895 PolarHBondContact O-N 3.32Å; G895-D897 PolarHBondContact O-N 3.44Å; G895-D897 VanDerWaalsContact O-N 3.14Å
896	M	52.9	Low	64.8	Low	90 Å²	90	69.9 Å²	69.9	44%	0.443	40%	0.398	S	S	.	.			trans	-65.9	116	-161.4	-72.4	-161.7	71.8	0	0	113.8	A891 L894 T898 W899	A891-M896 PolarHBondContact O-N 2.97Å; A891-M896 VanDerWaalsContact O-N 3.16Å; L894-M896 HydrophobicContact CB-CG 3.89Å; L894-M896 PolarHBondContact O-N 3.05Å; L894-M896 VanDerWaalsContact O-N 3.1Å; M896-T898 PolarHBondContact O-N 2.85Å; M896-W899 PolarHBondContact O-N 2.93Å; M896-W899 VanDerWaalsContact O-N 3.15Å
897	D	45.1	Very low	63.7	Low	113 Å²	113	68 Å²	68	60%	0.604	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-48.5	-20.1	179.7	-68.6	-51.1	0	0	0	115.8	M752 G895 W899	M752-D897 VanDerWaalsContact CE-OD2 3.3Å; M752-D897 WeakPolarHBondContact CE-OD2 3.28Å; G895-D897 PolarHBondContact O-N 3.44Å; G895-D897 VanDerWaalsContact O-N 3.14Å; D897-W899 PolarHBondContact O-N 2.9Å
898	T	45.6	Very low	62.4	Low	93 Å²	93	69.6 Å²	69.6	57%	0.571	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-68.9	-10.1	-179.6	58.7	0	0	0	0	113.8	H800 M896	H800-T898 PolarHBondContact NE2-OG1 3.48Å; M896-T898 PolarHBondContact O-N 2.85Å
899	W	48.1	Very low	60.8	Low	39 Å²	39	74.9 Å²	74.9	15%	0.148	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-134.8	60.1	176.3	-142.4	54.7	0	0	0	115.6	M792 D795 Y796 S799 H800 L888 M896 D897 L901	M792-W899 HydrophobicContact CB-CH2 4.04Å; M792-W899 HydrophobicContact CE-CH2 4.42Å; M792-W899 HydrophobicContact CE-CZ3 4.19Å; M792-W899 HydrophobicContact CG-CH2 4.27Å; M792-W899 VanDerWaalsContact O-CH2 3.27Å; M792-W899 WeakPolarHBondContact O-CH2 3.08Å; D795-W899 HydrophobicContact CB-CZ2 3.98Å; D795-W899 VanDerWaalsContact OD2-CZ2 3.3Å; D795-W899 WeakPolarHBondContact OD2-CZ2 3.04Å; Y796-W899 HydrophobicContact CD2-CD2 4.06Å; Y796-W899 HydrophobicContact CD2-CE3 4.39Å; Y796-W899 HydrophobicContact CD2-CG 4.16Å; Y796-W899 VanDerWaalsContact N-CZ2 3.34Å; S799-W899 PolarHBondContact OG-NE1 3.36Å; S799-W899 VanDerWaalsContact OG-NE1 3.08Å; H800-W899 AromaticContact CE1-CD1 3.45Å; H800-W899 VanDerWaalsContact CE1-CD1 3.45Å; H800-W899 AromaticContact CE1-CG 3.65Å; H800-W899 AromaticContact ND1-CD1 3.92Å; L888-W899 HydrophobicContact CD1-CE3 4.46Å; M896-W899 PolarHBondContact O-N 2.93Å; M896-W899 VanDerWaalsContact O-N 3.15Å; D897-W899 PolarHBondContact O-N 2.9Å; W899-L901 HydrophobicContact CH2-CD2 4.1Å; W899-L901 HydrophobicContact CZ3-CD2 4.09Å; W899-L901 HydrophobicContact CZ3-CG 4.23Å; W899-L901 PolarHBondContact O-N 3.22Å
900	C	46.9	Very low	59.7	Low	100 Å²	100	77.1 Å²	77.1	68%	0.676	43%	0.434	S	S	*	.			trans	-62.9	110.8	166.5	-170.7	0	0	0	0	111	S902	C900-S902 PolarHBondContact O-N 3.17Å
901	L	48.2	Very low	58.3	Low	42 Å²	42	81.5 Å²	81.5	22%	0.22	45%	0.446	C	S	.	.			trans	-54	132.8	165.9	-86.1	167.5	0	0	0	109.7	M792 W899 E903 I905	M792-L901 HydrophobicContact CE-CD1 3.77Å; M792-L901 HydrophobicContact CE-CD2 3.95Å; M792-L901 HydrophobicContact CE-CG 4.39Å; M792-L901 HydrophobicContact CG-CD2 4.43Å; M792-L901 HydrophobicContact SD-CD2 4.18Å; W899-L901 HydrophobicContact CH2-CD2 4.1Å; W899-L901 HydrophobicContact CZ3-CD2 4.09Å; W899-L901 HydrophobicContact CZ3-CG 4.23Å; W899-L901 PolarHBondContact O-N 3.22Å; L901-E903 VanDerWaalsContact C-N 3.26Å; L901-E903 PolarHBondContact O-N 3.02Å; L901-I905 HydrophobicContact CD2-CD1 4.41Å
902	S	46.7	Very low	57.9	Low	88 Å²	88	84.5 Å²	84.5	62%	0.615	46%	0.46	S	S	*	.	S	Bend	trans	-72.4	-24.7	-173.5	-40.1	0	0	0	0	112.9	C900 R923	C900-S902 PolarHBondContact O-N 3.17Å; S902-R923 PolarHBondContact OG-NH1 3.44Å; S902-R923 PolarHBondContact OG-NH2 3.04Å
903	E	49.7	Very low	57.9	Low	151 Å²	151	86.4 Å²	86.4	71%	0.706	47%	0.467	S	S	*	.	S	Bend	trans	-142.8	136.1	170.5	-61.4	-179	144.4	0	0	105.5	L901 I905	L901-E903 VanDerWaalsContact C-N 3.26Å; L901-E903 PolarHBondContact O-N 3.02Å; E903-I905 PolarHBondContact O-N 3.25Å
904	P	52.8	Low	57.9	Low	124 Å²	124	89.3 Å²	89.3	81%	0.805	48%	0.478	S	S	*	.			trans	-67.8	119	175.3	27.4	-32.7	0	0	0	109.4
905	I	58.4	Low	58.2	Low	29 Å²	29	88.3 Å²	88.3	15%	0.149	47%	0.471	C	S	.	.			trans	-95.1	102.4	-179.5	-66.6	165.9	0	0	0	108	M792 L901 E903 F907 F910	M792-I905 HydrophobicContact CG-CD1 4.3Å; M792-I905 HydrophobicContact SD-CB 4.22Å; M792-I905 HydrophobicContact SD-CD1 3.7Å; M792-I905 HydrophobicContact SD-CG2 4.37Å; L901-I905 HydrophobicContact CD2-CD1 4.41Å; E903-I905 PolarHBondContact O-N 3.25Å; I905-F907 HydrophobicContact CG2-CD1 4.26Å; I905-F907 HydrophobicContact CG2-CE1 4.25Å; I905-F907 PolarHBondContact O-N 3.36Å; I905-F910 HydrophobicContact CG2-CE2 3.59Å; I905-F910 HydrophobicContact CG2-CZ 3.74Å
906	D	59.4	Low	58.9	Low	82 Å²	82	88.3 Å²	88.3	44%	0.439	46%	0.46	S	S	.	.			trans	-77.1	101.4	169.2	178	-5.1	0	0	0	108.7	V908 L909	D906-V908 PolarHBondContact O-N 2.93Å; D906-V908 VanDerWaalsContact OD1-CB 3.25Å; D906-V908 WeakPolarHBondContact OD1-CB 3.28Å; D906-V908 WeakPolarHBondContact OD1-CG2 3.39Å; D906-V908 PolarHBondContact OD1-N 3.07Å; D906-L909 HydrophobicContact CB-CD1 4Å; D906-L909 HydrophobicContact CB-CG 4.13Å; D906-L909 PolarHBondContact O-N 3.23Å; D906-L909 WeakPolarHBondContact OD2-CG 3.37Å
907	F	65.1	Low	60.6	Low	18 Å²	18	85.2 Å²	85.2	8%	0.079	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-63.1	-23.3	-178.7	-65.8	-79.3	0	0	0	112.9	L773 E776 F777 A788 K789 M792 I905 L909 F910	L773-F907 HydrophobicContact CD2-CD2 4.01Å; L773-F907 HydrophobicContact CD2-CE2 3.91Å; E776-F907 VanDerWaalsContact OE1-CD2 3.31Å; E776-F907 WeakPolarHBondContact OE1-CD2 3.42Å; E776-F907 WeakPolarHBondContact OE2-CB 3.07Å; F777-F907 AromaticContact CE2-CE2 3.98Å; F777-F907 HydrophobicContact CE2-CE2 3.98Å; F777-F907 AromaticContact CE2-CZ 3.81Å; F777-F907 HydrophobicContact CE2-CZ 3.81Å; F777-F907 AromaticContact CZ-CZ 3.89Å; F777-F907 HydrophobicContact CZ-CZ 3.89Å; A788-F907 HydrophobicContact CB-CD1 4.31Å; A788-F907 HydrophobicContact CB-CE1 4.19Å; K789-F907 HydrophobicContact CG-CD1 4.04Å; K789-F907 HydrophobicContact CG-CE1 3.59Å; K789-F907 HydrophobicContact CG-CZ 4.08Å; M792-F907 HydrophobicContact CE-CE2 4.14Å; M792-F907 HydrophobicContact CE-CZ 3.63Å; M792-F907 HydrophobicContact SD-CE1 3.92Å; M792-F907 HydrophobicContact SD-CE2 4.3Å; M792-F907 HydrophobicContact SD-CZ 3.41Å; M792-F907 WeakPolarHBondContact SD-CZ 3.23Å; I905-F907 HydrophobicContact CG2-CD1 4.26Å; I905-F907 HydrophobicContact CG2-CE1 4.25Å; I905-F907 PolarHBondContact O-N 3.36Å; F907-L909 PolarHBondContact O-N 3.33Å; F907-F910 HydrophobicContact CB-CD2 4.47Å; F907-F910 HydrophobicContact CD1-CD2 4.23Å; F907-F910 AromaticContact CD1-CE2 3.94Å; F907-F910 HydrophobicContact CD1-CE2 3.94Å; F907-F910 PolarHBondContact O-N 3.03Å
908	V	58.7	Low	62.4	Low	108 Å²	108	82.4 Å²	82.4	66%	0.655	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-70.6	-15.7	179.7	-166	0	0	0	0	111.6	D906	D906-V908 PolarHBondContact O-N 2.93Å; D906-V908 VanDerWaalsContact OD1-CB 3.25Å; D906-V908 WeakPolarHBondContact OD1-CB 3.28Å; D906-V908 WeakPolarHBondContact OD1-CG2 3.39Å; D906-V908 PolarHBondContact OD1-N 3.07Å
909	L	54.7	Low	64.2	Low	112 Å²	112	78.5 Å²	78.5	59%	0.586	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-82.8	-15.8	175.7	-68	178.5	0	0	0	114.6	D906 F907 R911	D906-L909 HydrophobicContact CB-CD1 4Å; D906-L909 HydrophobicContact CB-CG 4.13Å; D906-L909 PolarHBondContact O-N 3.23Å; D906-L909 WeakPolarHBondContact OD2-CG 3.37Å; F907-L909 PolarHBondContact O-N 3.33Å; L909-R911 PolarHBondContact O-N 2.82Å; L909-R911 VanDerWaalsContact O-N 3.1Å
910	F	61.2	Low	66.1	Low	55 Å²	55	76.6 Å²	76.6	24%	0.241	41%	0.407	C	S	.	.			trans	-72.8	102.7	176.7	-64.9	-59.3	0	0	0	110.4	A788 I905 F907 E915 E916 C919	A788-F910 HydrophobicContact CB-CD2 4.16Å; A788-F910 HydrophobicContact CB-CE2 3.71Å; A788-F910 HydrophobicContact CB-CZ 4.14Å; I905-F910 HydrophobicContact CG2-CE2 3.59Å; I905-F910 HydrophobicContact CG2-CZ 3.74Å; F907-F910 HydrophobicContact CB-CD2 4.47Å; F907-F910 HydrophobicContact CD1-CD2 4.23Å; F907-F910 AromaticContact CD1-CE2 3.94Å; F907-F910 HydrophobicContact CD1-CE2 3.94Å; F907-F910 PolarHBondContact O-N 3.03Å; F910-E915 HydrophobicContact CD1-CB 3.81Å; F910-E915 HydrophobicContact CE1-CB 4.49Å; F910-E916 HydrophobicContact CB-CG 3.91Å; F910-E916 HydrophobicContact CD1-CG 4.42Å; F910-E916 HydrophobicContact CD2-CG 4.4Å; F910-E916 HydrophobicContact CG-CG 4.01Å; F910-C919 HydrophobicContact CE1-CB 3.99Å; F910-C919 HydrophobicContact CZ-CB 3.79Å
911	R	55.6	Low	68.1	Low	191 Å²	191	74 Å²	74	72%	0.721	38%	0.384	S	S	*	.			trans	-91.8	-30.6	-179.5	-67.2	-179.5	178.8	-127.8	-7.1	111.9	L909 E915	L909-R911 PolarHBondContact O-N 2.82Å; L909-R911 VanDerWaalsContact O-N 3.1Å; R911-E915 PolarHBondContact N-OE2 3.35Å
912	N	70.8	Confident	69.7	Low	84 Å²	84	76.1 Å²	76.1	45%	0.449	40%	0.403	S	S	.	.	S	Bend	trans	-120.3	142.3	179.3	-66.1	4.8	0	0	0	110.9	E914 E915 E916	N912-E914 HydrophobicContact CB-CB 4.41Å; N912-E914 PolarHBondContact O-N 2.81Å; N912-E915 HydrophobicContact CB-CG 4.24Å; N912-E915 PolarHBondContact N-OE2 3.09Å; N912-E915 WeakPolarHBondContact O-CB 3.25Å; N912-E915 PolarHBondContact O-N 3.11Å; N912-E916 PolarHBondContact O-N 2.98Å
913	K	78.7	Confident	71.5	Confident	64 Å²	64	74.3 Å²	74.3	28%	0.278	38%	0.382	S	S	.	.	H	α-helix	trans	-55.3	-22.8	171.2	-169.7	175.3	-176.7	-175.2	0	113.8	P787 E915 L917	P787-K913 HydrophobicContact CG-CG 4.49Å; K913-E915 VanDerWaalsContact C-N 3.33Å; K913-L917 WeakPolarHBondContact O-CB 3.39Å; K913-L917 PolarHBondContact O-N 2.7Å
914	E	77.4	Confident	73.3	Confident	147 Å²	147	67.1 Å²	67.1	69%	0.687	35%	0.349	S	S	*	.	H	α-helix	trans	-68.7	-30	174	-60.4	176.3	136.2	0	0	112.5	N912 A918	N912-E914 HydrophobicContact CB-CB 4.41Å; N912-E914 PolarHBondContact O-N 2.81Å; E914-A918 PolarHBondContact O-N 3.01Å
915	E	78.7	Confident	74.8	Confident	85 Å²	85	61.7 Å²	61.7	40%	0.397	31%	0.314	S	S	.	.	H	α-helix	trans	-78.6	-38.7	176.2	-58.6	172	137.9	0	0	110.6	F910 R911 N912 K913 L917 A918 C919	F910-E915 HydrophobicContact CD1-CB 3.81Å; F910-E915 HydrophobicContact CE1-CB 4.49Å; R911-E915 PolarHBondContact N-OE2 3.35Å; N912-E915 HydrophobicContact CB-CG 4.24Å; N912-E915 PolarHBondContact N-OE2 3.09Å; N912-E915 WeakPolarHBondContact O-CB 3.25Å; N912-E915 PolarHBondContact O-N 3.11Å; K913-E915 VanDerWaalsContact C-N 3.33Å; E915-L917 VanDerWaalsContact C-N 3.32Å; E915-L917 PolarHBondContact O-N 2.96Å; E915-A918 WeakPolarHBondContact O-CB 3.27Å; E915-A918 PolarHBondContact O-N 3.47Å; E915-C919 PolarHBondContact O-N 3.33Å
916	E	83.4	Confident	75.7	Confident	39 Å²	39	63.3 Å²	63.3	18%	0.182	33%	0.328	C	S	.	.	H	α-helix	trans	-60.7	-41.5	169	-59.9	-175.3	97	0	0	111.8	S786 P787 A788 F910 N912 A918 C919 F920	S786-E916 WeakPolarHBondContact CB-OE1 3.41Å; S786-E916 PolarHBondContact OG-OE1 3.25Å; P787-E916 HydrophobicContact CB-CB 3.99Å; P787-E916 WeakPolarHBondContact CD-OE1 3.37Å; P787-E916 WeakPolarHBondContact CD-OE2 3.34Å; P787-E916 HydrophobicContact CG-CB 3.88Å; A788-E916 HydrophobicContact CB-CB 4.12Å; A788-E916 HydrophobicContact CB-CG 4.29Å; F910-E916 HydrophobicContact CB-CG 3.91Å; F910-E916 HydrophobicContact CD1-CG 4.42Å; F910-E916 HydrophobicContact CD2-CG 4.4Å; F910-E916 HydrophobicContact CG-CG 4.01Å; N912-E916 PolarHBondContact O-N 2.98Å; E916-A918 VanDerWaalsContact C-N 3.35Å; E916-C919 VanDerWaalsContact O-CB 3.3Å; E916-C919 WeakPolarHBondContact O-CB 3.42Å; E916-C919 PolarHBondContact O-N 3.35Å; E916-F920 PolarHBondContact O-N 3.31Å
917	L	86.8	Confident	76.9	Confident	25 Å²	25	60.6 Å²	60.6	13%	0.131	31%	0.312	C	S	.	.	H	α-helix	trans	-63.3	-38.4	173.5	-90.8	163	0	0	0	112.3	P787 K913 E915 C919 F920 E921	P787-L917 HydrophobicContact CG-CG 4.41Å; K913-L917 WeakPolarHBondContact O-CB 3.39Å; K913-L917 PolarHBondContact O-N 2.7Å; E915-L917 VanDerWaalsContact C-N 3.32Å; E915-L917 PolarHBondContact O-N 2.96Å; L917-C919 VanDerWaalsContact C-N 3.3Å; L917-C919 PolarHBondContact O-N 3Å; L917-F920 PolarHBondContact O-N 3.44Å; L917-E921 PolarHBondContact O-N 2.59Å
918	A	83	Confident	77.8	Confident	55 Å²	55	59.8 Å²	59.8	46%	0.455	31%	0.308	S	S	.	.	H	α-helix	trans	-66.4	-32.3	173.3	0	0	0	0	0	112.2	E914 E915 E916 S922	E914-A918 PolarHBondContact O-N 3.01Å; E915-A918 WeakPolarHBondContact O-CB 3.27Å; E915-A918 PolarHBondContact O-N 3.47Å; E916-A918 VanDerWaalsContact C-N 3.35Å; A918-S922 VanDerWaalsContact O-CB 3.29Å; A918-S922 WeakPolarHBondContact O-CB 2.99Å; A918-S922 PolarHBondContact O-N 2.92Å; A918-S922 PolarHBondContact O-OG 3.08Å
919	C	84	Confident	78.9	Confident	10 Å²	10	57.5 Å²	57.5	7%	0.068	29%	0.292	C	S	.	.	H	α-helix	trans	-64.3	-47.7	169.1	-170.5	0	0	0	0	111.2	A788 F910 E915 E916 L917 E921 S922 R923	A788-C919 HydrophobicContact CB-CB 4.18Å; F910-C919 HydrophobicContact CE1-CB 3.99Å; F910-C919 HydrophobicContact CZ-CB 3.79Å; E915-C919 PolarHBondContact O-N 3.33Å; E916-C919 VanDerWaalsContact O-CB 3.3Å; E916-C919 WeakPolarHBondContact O-CB 3.42Å; E916-C919 PolarHBondContact O-N 3.35Å; L917-C919 VanDerWaalsContact C-N 3.3Å; L917-C919 PolarHBondContact O-N 3Å; C919-E921 PolarHBondContact O-N 3.34Å; C919-S922 PolarHBondContact O-N 2.86Å; C919-S922 PolarHBondContact O-OG 3.25Å; C919-S922 VanDerWaalsContact O-OG 3.07Å; C919-R923 WeakPolarHBondContact O-CB 3.47Å; C919-R923 PolarHBondContact O-N 3.45Å
920	F	87.8	Confident	80	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-57.8	-46.1	175.2	-172.9	-75.2	0	0	0	112.3	P787 A791 E916 L917 L924 A974 H975 Y978 W1036	P787-F920 HydrophobicContact CB-CB 4.27Å; P787-F920 WeakPolarHBondContact O-CD2 3.35Å; A791-F920 HydrophobicContact CB-CB 4.02Å; A791-F920 HydrophobicContact CB-CD2 3.76Å; A791-F920 HydrophobicContact CB-CG 4.12Å; E916-F920 PolarHBondContact O-N 3.31Å; L917-F920 PolarHBondContact O-N 3.44Å; F920-L924 HydrophobicContact CD1-CD1 4.16Å; F920-L924 HydrophobicContact CD2-CD1 4.12Å; F920-L924 HydrophobicContact CE1-CD1 3.78Å; F920-L924 HydrophobicContact CE2-CD1 3.74Å; F920-L924 HydrophobicContact CG-CD1 4.31Å; F920-L924 HydrophobicContact CZ-CD1 3.55Å; F920-L924 WeakPolarHBondContact O-CB 3.38Å; F920-L924 PolarHBondContact O-N 2.83Å; F920-A974 HydrophobicContact CZ-CB 3.89Å; F920-H975 HydrophobicContact CD1-CB 4.44Å; F920-H975 HydrophobicContact CE1-CB 3.92Å; F920-Y978 HydrophobicContact CD2-CD2 4.18Å; F920-Y978 HydrophobicContact CD2-CE2 4.36Å; F920-Y978 AromaticContact CE2-CD2 3.96Å; F920-Y978 HydrophobicContact CE2-CD2 3.96Å; F920-Y978 AromaticContact CE2-CE2 3.91Å; F920-Y978 HydrophobicContact CE2-CE2 3.91Å; F920-Y978 HydrophobicContact CZ-CD2 4.48Å; F920-W1036 HydrophobicContact CD1-CH2 4.45Å; F920-W1036 AromaticContact CE1-CH2 3.88Å; F920-W1036 HydrophobicContact CE1-CH2 3.88Å; F920-W1036 HydrophobicContact CE1-CZ2 4.48Å; F920-W1036 HydrophobicContact CE1-CZ3 4.06Å
921	E	88.3	Confident	81	Confident	44 Å²	44	49.6 Å²	49.6	21%	0.206	25%	0.253	C	S	.	.	H	α-helix	trans	-62.2	-52.1	174.9	-75.4	-166.8	-161.6	0	0	112	L917 C919 R923 S925 H975 S1033 W1036	L917-E921 PolarHBondContact O-N 2.59Å; C919-E921 PolarHBondContact O-N 3.34Å; E921-R923 PolarHBondContact O-N 3.28Å; E921-S925 WeakPolarHBondContact O-CB 3.43Å; E921-S925 PolarHBondContact O-N 2.85Å; E921-S925 PolarHBondContact O-OG 2.68Å; E921-H975 WeakPolarHBondContact CG-NE2 3.27Å; E921-H975 IonicContact OE1-CD2 2.69Å; E921-H975 IonicContact OE1-CE1 3.71Å; E921-H975 IonicContact OE1-NE2 2.72Å; E921-H975 PolarHBondContact OE1-NE2 2.85Å; E921-S1033 WeakPolarHBondContact OE2-CA 3.4Å; E921-S1033 WeakPolarHBondContact OE2-CB 3.36Å; E921-W1036 HydrophobicContact CG-CG 4.44Å
922	S	82.6	Confident	82	Confident	87 Å²	87	42.9 Å²	42.9	61%	0.608	23%	0.23	S	C	*	.	H	α-helix	trans	-63.7	-41.5	-173.4	60	0	0	0	0	112.7	A918 C919	A918-S922 VanDerWaalsContact O-CB 3.29Å; A918-S922 WeakPolarHBondContact O-CB 2.99Å; A918-S922 PolarHBondContact O-N 2.92Å; A918-S922 PolarHBondContact O-OG 3.08Å; C919-S922 PolarHBondContact O-N 2.86Å; C919-S922 PolarHBondContact O-OG 3.25Å; C919-S922 VanDerWaalsContact O-OG 3.07Å
923	R	83.6	Confident	82.1	Confident	50 Å²	50	42 Å²	42	19%	0.189	22%	0.223	C	C	.	.	H	α-helix	trans	-69.1	-50.4	-179.8	-155.1	75.7	-169.3	146.1	12.3	111.8	D795 S902 C919 E921 S926	D795-R923 HydrophobicContact CB-CG 4.1Å; D795-R923 IonicContact OD2-CZ 2.75Å; D795-R923 IonicContact OD2-NE 3.56Å; D795-R923 PolarHBondContact OD2-NE 3.26Å; D795-R923 IonicContact OD2-NH2 3.8Å; D795-R923 PolarHBondContact OD2-NH2 2.9Å; S902-R923 PolarHBondContact OG-NH1 3.44Å; S902-R923 PolarHBondContact OG-NH2 3.04Å; C919-R923 WeakPolarHBondContact O-CB 3.47Å; C919-R923 PolarHBondContact O-N 3.45Å; E921-R923 PolarHBondContact O-N 3.28Å; R923-S926 PolarHBondContact O-OG 3.39Å
924	L	87.7	Confident	81.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-87.6	-13.9	-170.7	-62.3	177.1	0	0	0	114.7	A791 I794 D795 F920 S926 Y927 L928 L971 W1036	A791-L924 HydrophobicContact CB-CD1 4.3Å; A791-L924 HydrophobicContact CB-CG 4.46Å; I794-L924 HydrophobicContact CB-CD1 4.41Å; I794-L924 HydrophobicContact CB-CD2 4.25Å; I794-L924 HydrophobicContact CD1-CD1 4.44Å; I794-L924 HydrophobicContact CG2-CD1 4.16Å; I794-L924 HydrophobicContact CG2-CD2 3.73Å; D795-L924 HydrophobicContact CB-CD2 4.45Å; F920-L924 HydrophobicContact CD1-CD1 4.16Å; F920-L924 HydrophobicContact CD2-CD1 4.12Å; F920-L924 HydrophobicContact CE1-CD1 3.78Å; F920-L924 HydrophobicContact CE2-CD1 3.74Å; F920-L924 HydrophobicContact CG-CD1 4.31Å; F920-L924 HydrophobicContact CZ-CD1 3.55Å; F920-L924 WeakPolarHBondContact O-CB 3.38Å; F920-L924 PolarHBondContact O-N 2.83Å; L924-S926 PolarHBondContact O-N 2.93Å; L924-Y927 HydrophobicContact CD2-CD2 4.1Å; L924-Y927 PolarHBondContact O-N 2.95Å; L924-L928 WeakPolarHBondContact O-CB 3.39Å; L924-L928 PolarHBondContact O-N 3.13Å; L924-L971 HydrophobicContact CD1-CD2 4.43Å; L924-W1036 HydrophobicContact CB-CH2 3.74Å; L924-W1036 HydrophobicContact CB-CZ2 3.8Å
925	S	84.8	Confident	81.2	Confident	11 Å²	11	36.2 Å²	36.2	8%	0.077	20%	0.204	C	C	.	.	H	α-helix	trans	-59.3	-33.2	178.2	-68.5	0	0	0	0	113.1	E921 L928 D929 G1032 W1036	E921-S925 WeakPolarHBondContact O-CB 3.43Å; E921-S925 PolarHBondContact O-N 2.85Å; E921-S925 PolarHBondContact O-OG 2.68Å; S925-L928 PolarHBondContact O-N 3.29Å; S925-D929 WeakPolarHBondContact O-CB 3.45Å; S925-D929 PolarHBondContact O-N 2.73Å; S925-G1032 PolarHBondContact OG-O 3.32Å; S925-W1036 PolarHBondContact OG-NE1 2.89Å
926	S	77.7	Confident	80.6	Confident	62 Å²	62	34.7 Å²	34.7	43%	0.434	20%	0.201	S	C	.	.	H	α-helix	trans	-63	-43.5	178.7	64.1	0	0	0	0	112.6	R923 L924 A930	R923-S926 PolarHBondContact O-OG 3.39Å; L924-S926 PolarHBondContact O-N 2.93Å; S926-A930 WeakPolarHBondContact O-CB 3.39Å; S926-A930 PolarHBondContact O-N 2.85Å
927	Y	84	Confident	79.4	Confident	26 Å²	26	36 Å²	36	10%	0.102	23%	0.225	C	C	.	.	H	α-helix	trans	-69.9	-40	173.8	-61.9	-70.2	0	0	0	111.9	D795 F798 S799 L924 A930 L931 I944 I948	D795-Y927 HydrophobicContact CB-CE2 4.33Å; D795-Y927 WeakPolarHBondContact OD1-CE2 3.38Å; D795-Y927 PolarHBondContact OD1-OH 3.27Å; F798-Y927 HydrophobicContact CB-CD1 4.43Å; F798-Y927 HydrophobicContact CB-CE1 4.05Å; F798-Y927 HydrophobicContact CD2-CD1 4.33Å; F798-Y927 HydrophobicContact CD2-CD2 4.17Å; F798-Y927 HydrophobicContact CD2-CE2 4.48Å; F798-Y927 HydrophobicContact CD2-CG 4.08Å; S799-Y927 PolarHBondContact OG-OH 2.74Å; L924-Y927 HydrophobicContact CD2-CD2 4.1Å; L924-Y927 PolarHBondContact O-N 2.95Å; Y927-A930 PolarHBondContact O-N 3.1Å; Y927-L931 WeakPolarHBondContact O-CB 3.2Å; Y927-L931 WeakPolarHBondContact O-CG 3.21Å; Y927-L931 PolarHBondContact O-N 3.4Å; Y927-I944 HydrophobicContact CD1-CG2 3.31Å; Y927-I944 HydrophobicContact CE1-CG2 3.57Å; Y927-I944 HydrophobicContact CG-CG2 4.43Å; Y927-I948 HydrophobicContact CD1-CD1 3.61Å; Y927-I948 HydrophobicContact CD1-CG1 4.48Å; Y927-I948 HydrophobicContact CE1-CD1 4.47Å; Y927-I948 HydrophobicContact CG-CD1 4.18Å
928	L	85.4	Confident	77.8	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.2	-43.9	177.4	-169.1	77.1	0	0	0	111.9	L924 S925 L931 H932 T968 L971 V972 L1035 W1036 L1039	L924-L928 WeakPolarHBondContact O-CB 3.39Å; L924-L928 PolarHBondContact O-N 3.13Å; S925-L928 PolarHBondContact O-N 3.29Å; L928-L931 PolarHBondContact O-N 2.82Å; L928-H932 VanDerWaalsContact O-CB 3.28Å; L928-H932 WeakPolarHBondContact O-CB 3.34Å; L928-H932 PolarHBondContact O-N 3.47Å; L928-T968 HydrophobicContact CD1-CG2 4.16Å; L928-L971 HydrophobicContact CD1-CB 4.36Å; L928-V972 HydrophobicContact CD1-CG2 3.97Å; L928-L1035 HydrophobicContact CD2-CB 3.75Å; L928-W1036 HydrophobicContact CB-CH2 4.45Å; L928-W1036 HydrophobicContact CB-CZ2 4.42Å; L928-W1036 HydrophobicContact CD1-CE3 4.43Å; L928-W1036 HydrophobicContact CD1-CH2 4.33Å; L928-W1036 HydrophobicContact CD1-CZ3 4.06Å; L928-W1036 HydrophobicContact CD2-CD2 3.6Å; L928-W1036 HydrophobicContact CD2-CE3 3.75Å; L928-W1036 HydrophobicContact CD2-CG 4.16Å; L928-W1036 HydrophobicContact CD2-CH2 4.09Å; L928-W1036 HydrophobicContact CD2-CZ2 3.94Å; L928-W1036 HydrophobicContact CD2-CZ3 3.99Å; L928-L1039 HydrophobicContact CD1-CD1 3.86Å; L928-L1039 HydrophobicContact CD2-CD1 3.93Å; L928-L1039 HydrophobicContact CG-CD1 3.92Å
929	D	80.8	Confident	75.9	Confident	60 Å²	60	38 Å²	38	32%	0.321	24%	0.237	S	C	.	.	H	α-helix	trans	-62.5	-43	173.4	-103.1	-40.2	0	0	0	111.7	S925 H932 Q933 L1035	S925-D929 WeakPolarHBondContact O-CB 3.45Å; S925-D929 PolarHBondContact O-N 2.73Å; D929-H932 PolarHBondContact O-N 3.19Å; D929-Q933 WeakPolarHBondContact O-CB 3.33Å; D929-Q933 VanDerWaalsContact O-CG 3.24Å; D929-Q933 WeakPolarHBondContact O-CG 3.44Å; D929-Q933 PolarHBondContact O-N 3.09Å; D929-Q933 PolarHBondContact O-NE2 2.81Å; D929-L1035 VanDerWaalsContact CG-CD1 3.48Å; D929-L1035 WeakPolarHBondContact OD1-CD1 3.05Å; D929-L1035 WeakPolarHBondContact OD1-CD2 3.35Å; D929-L1035 VanDerWaalsContact OD2-CD1 3.27Å; D929-L1035 WeakPolarHBondContact OD2-CD1 3.45Å
930	A	78.9	Confident	74.4	Confident	2 Å²	2	44.1 Å²	44.1	2%	0.017	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-43.2	178.8	0	0	0	0	0	112.2	S926 Y927 L934 I944 A945	S926-A930 WeakPolarHBondContact O-CB 3.39Å; S926-A930 PolarHBondContact O-N 2.85Å; Y927-A930 PolarHBondContact O-N 3.1Å; A930-L934 PolarHBondContact O-N 2.95Å; A930-I944 HydrophobicContact CB-CB 4.45Å; A930-I944 HydrophobicContact CB-CG2 4.09Å; A930-A945 HydrophobicContact CB-CB 4.06Å
931	L	80.6	Confident	72.6	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-69	-40	175.5	-68.3	169.8	0	0	0	112.2	Y927 L928 Q933 L934 S935 I948 T964 I967 L971	Y927-L931 WeakPolarHBondContact O-CB 3.2Å; Y927-L931 WeakPolarHBondContact O-CG 3.21Å; Y927-L931 PolarHBondContact O-N 3.4Å; L928-L931 PolarHBondContact O-N 2.82Å; L931-Q933 VanDerWaalsContact C-N 3.35Å; L931-Q933 PolarHBondContact O-N 3.21Å; L931-L934 PolarHBondContact O-N 3.21Å; L931-S935 PolarHBondContact O-N 3.49Å; L931-S935 PolarHBondContact O-OG 2.91Å; L931-I948 HydrophobicContact CD1-CD1 4.2Å; L931-I948 HydrophobicContact CD2-CB 4.25Å; L931-I948 HydrophobicContact CD2-CD1 4.24Å; L931-I948 HydrophobicContact CD2-CG2 3.92Å; L931-I948 HydrophobicContact CG-CD1 4.17Å; L931-T964 HydrophobicContact CB-CG2 4.04Å; L931-T964 HydrophobicContact CD2-CG2 3.9Å; L931-T964 WeakPolarHBondContact O-CG2 3.33Å; L931-I967 HydrophobicContact CD1-CB 4.26Å; L931-I967 HydrophobicContact CD1-CG2 3.65Å; L931-L971 HydrophobicContact CD1-CD1 4.04Å
932	H	76.8	Confident	71.2	Confident	50 Å²	50	50.8 Å²	50.8	23%	0.231	30%	0.304	C	S	.	.	H	α-helix	trans	-66.4	-35.9	176.3	-176.7	-111.7	0	0	0	112.3	L928 D929 S935 T936	L928-H932 VanDerWaalsContact O-CB 3.28Å; L928-H932 WeakPolarHBondContact O-CB 3.34Å; L928-H932 PolarHBondContact O-N 3.47Å; D929-H932 PolarHBondContact O-N 3.19Å; H932-S935 PolarHBondContact O-N 3.2Å; H932-S935 PolarHBondContact O-OG 3.38Å; H932-T936 WeakPolarHBondContact O-CB 3.3Å; H932-T936 WeakPolarHBondContact O-CG2 3.41Å; H932-T936 PolarHBondContact O-N 3.24Å; H932-T936 PolarHBondContact O-OG1 3.1Å
933	Q	73.7	Confident	69.9	Low	64 Å²	64	51.2 Å²	51.2	30%	0.299	31%	0.305	S	S	.	.	H	α-helix	trans	-66.7	-33.3	173.3	-74.4	170.7	47.7	0	0	113	D929 L931 T936 G937 S938 C939	D929-Q933 WeakPolarHBondContact O-CB 3.33Å; D929-Q933 VanDerWaalsContact O-CG 3.24Å; D929-Q933 WeakPolarHBondContact O-CG 3.44Å; D929-Q933 PolarHBondContact O-N 3.09Å; D929-Q933 PolarHBondContact O-NE2 2.81Å; L931-Q933 VanDerWaalsContact C-N 3.35Å; L931-Q933 PolarHBondContact O-N 3.21Å; Q933-T936 PolarHBondContact O-OG1 3.15Å; Q933-G937 PolarHBondContact O-N 3.36Å; Q933-S938 PolarHBondContact O-N 2.95Å; Q933-C939 HydrophobicContact CB-CB 4.42Å; Q933-C939 PolarHBondContact OE1-SG 3.18Å; Q933-C939 VanDerWaalsContact OE1-SG 3.33Å
934	L	70.4	Confident	68.8	Low	38 Å²	38	52 Å²	52	20%	0.199	31%	0.312	C	S	.	.	H	α-helix	trans	-67.6	-51.2	170.2	-81.1	-176.1	0	0	0	111.8	A930 L931 T936 G937 C939 A945 C949 T964	A930-L934 PolarHBondContact O-N 2.95Å; L931-L934 PolarHBondContact O-N 3.21Å; L934-T936 PolarHBondContact O-N 3.43Å; L934-G937 WeakPolarHBondContact O-CA 3.42Å; L934-G937 PolarHBondContact O-N 3.48Å; L934-C939 WeakPolarHBondContact CD2-O 3.38Å; L934-A945 HydrophobicContact CD1-CB 3.41Å; L934-A945 VanDerWaalsContact CD1-CB 3.41Å; L934-A945 HydrophobicContact CD2-CB 4.35Å; L934-A945 HydrophobicContact CG-CB 3.65Å; L934-C949 WeakPolarHBondContact CD1-SG 3.49Å; L934-T964 HydrophobicContact CB-CG2 3.71Å; L934-T964 HydrophobicContact CD1-CG2 4.33Å
935	S	65.9	Low	67.3	Low	53 Å²	53	52 Å²	52	37%	0.371	31%	0.312	S	S	.	.	H	α-helix	trans	-66.5	-21.7	-176.3	67.8	0	0	0	0	113.7	L931 H932	L931-S935 PolarHBondContact O-N 3.49Å; L931-S935 PolarHBondContact O-OG 2.91Å; H932-S935 PolarHBondContact O-N 3.2Å; H932-S935 PolarHBondContact O-OG 3.38Å
936	T	66.3	Low	65.9	Low	53 Å²	53	54.8 Å²	54.8	33%	0.325	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	1.1	171.1	54.5	0	0	0	0	114.2	H932 Q933 L934 S938	H932-T936 WeakPolarHBondContact O-CB 3.3Å; H932-T936 WeakPolarHBondContact O-CG2 3.41Å; H932-T936 PolarHBondContact O-N 3.24Å; H932-T936 PolarHBondContact O-OG1 3.1Å; Q933-T936 PolarHBondContact O-OG1 3.15Å; L934-T936 PolarHBondContact O-N 3.43Å; T936-S938 VanDerWaalsContact C-N 3.34Å; T936-S938 PolarHBondContact O-N 3.27Å
937	G	58.7	Low	65	Low	67 Å²	67	53.2 Å²	53.2	69%	0.691	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	21.5	175	0	0	0	0	0	115.1	Q933 L934	Q933-G937 PolarHBondContact O-N 3.36Å; L934-G937 WeakPolarHBondContact O-CA 3.42Å; L934-G937 PolarHBondContact O-N 3.48Å
938	S	53.1	Low	64	Low	79 Å²	79	52 Å²	52	55%	0.552	31%	0.311	S	S	*	.			trans	-88.4	-26.2	-167.3	-169.4	0	0	0	0	114.9	Q933 T936	Q933-S938 PolarHBondContact O-N 2.95Å; T936-S938 VanDerWaalsContact C-N 3.34Å; T936-S938 PolarHBondContact O-N 3.27Å
939	C	43.8	Very low	62.5	Low	43 Å²	43	52.7 Å²	52.7	29%	0.291	32%	0.315	S	S	.	.			trans	-146.9	114.2	-168.2	-62.2	0	0	0	0	110.7	Q933 L934	Q933-C939 HydrophobicContact CB-CB 4.42Å; Q933-C939 PolarHBondContact OE1-SG 3.18Å; Q933-C939 VanDerWaalsContact OE1-SG 3.33Å; L934-C939 WeakPolarHBondContact CD2-O 3.38Å
940	I	51.6	Low	61.2	Low	138 Å²	138	56.2 Å²	56.2	71%	0.708	32%	0.324	S	S	*	.	S	Bend	trans	-87.6	-27.9	175.9	-61.5	177.7	0	0	0	111.6	N942	I940-N942 PolarHBondContact O-N 2.81Å
941	D	50.3	Low	60.2	Low	146 Å²	146	57 Å²	57	78%	0.781	33%	0.328	S	S	*	.			trans	-93.1	12.1	-167	-50.3	-51.2	0	0	0	115.2	P943	D941-P943 VanDerWaalsContact O-CD 3.27Å; D941-P943 WeakPolarHBondContact O-CD 3.33Å
942	N	58.2	Low	58.4	Low	37 Å²	37	57.9 Å²	57.9	20%	0.198	33%	0.333	C	S	.	.			trans	-78	111.7	-178.2	-173.3	-20.1	0	0	0	110.6	I940 I944 A945 L946	I940-N942 PolarHBondContact O-N 2.81Å; N942-I944 VanDerWaalsContact C-N 3.31Å; N942-I944 PolarHBondContact O-N 3.44Å; N942-I944 PolarHBondContact OD1-N 2.89Å; N942-A945 HydrophobicContact CB-CB 4.05Å; N942-A945 PolarHBondContact O-N 2.79Å; N942-L946 PolarHBondContact O-N 3.04Å
943	P	55.2	Low	57.2	Low	96 Å²	96	57 Å²	57	62%	0.623	33%	0.33	S	S	*	.	H	α-helix	trans	-65.3	-34.4	-172.4	26.8	-35	0	0	0	112.6	D941 A945 L946 S947	D941-P943 VanDerWaalsContact O-CD 3.27Å; D941-P943 WeakPolarHBondContact O-CD 3.33Å; P943-A945 VanDerWaalsContact C-N 3.34Å; P943-L946 PolarHBondContact O-N 3.26Å; P943-S947 PolarHBondContact O-N 3.36Å; P943-S947 PolarHBondContact O-OG 3.5Å
944	I	60.2	Low	55.7	Low	67 Å²	67	55.4 Å²	55.4	34%	0.344	33%	0.325	S	S	.	.	H	α-helix	trans	-61.9	-45.7	178.7	-66.3	172.8	0	0	0	110.2	Y927 A930 N942 S947 I948	Y927-I944 HydrophobicContact CD1-CG2 3.31Å; Y927-I944 HydrophobicContact CE1-CG2 3.57Å; Y927-I944 HydrophobicContact CG-CG2 4.43Å; A930-I944 HydrophobicContact CB-CB 4.45Å; A930-I944 HydrophobicContact CB-CG2 4.09Å; N942-I944 VanDerWaalsContact C-N 3.31Å; N942-I944 PolarHBondContact O-N 3.44Å; N942-I944 PolarHBondContact OD1-N 2.89Å; I944-S947 WeakPolarHBondContact CA-OG 3.29Å; I944-S947 PolarHBondContact O-N 2.8Å; I944-S947 PolarHBondContact O-OG 3.01Å; I944-I948 PolarHBondContact O-N 3.19Å
945	A	57.9	Low	54.3	Low	0 Å²	0	55.7 Å²	55.7	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-66.6	-41.2	179.3	0	0	0	0	0	110.9	A930 L934 N942 P943 S947 I948 C949	A930-A945 HydrophobicContact CB-CB 4.06Å; L934-A945 HydrophobicContact CD1-CB 3.41Å; L934-A945 VanDerWaalsContact CD1-CB 3.41Å; L934-A945 HydrophobicContact CD2-CB 4.35Å; L934-A945 HydrophobicContact CG-CB 3.65Å; N942-A945 HydrophobicContact CB-CB 4.05Å; N942-A945 PolarHBondContact O-N 2.79Å; P943-A945 VanDerWaalsContact C-N 3.34Å; A945-S947 VanDerWaalsContact C-N 3.33Å; A945-S947 PolarHBondContact O-N 3.39Å; A945-I948 PolarHBondContact O-N 2.76Å; A945-C949 WeakPolarHBondContact O-CB 3.42Å; A945-C949 PolarHBondContact O-N 2.95Å; A945-C949 PolarHBondContact O-SG 2.79Å; A945-C949 VanDerWaalsContact O-SG 3.36Å
946	L	55.4	Low	53.4	Low	69 Å²	69	57.6 Å²	57.6	36%	0.361	36%	0.358	S	S	.	.	H	α-helix	trans	-65.8	-28.1	174.5	-72.6	169.2	0	0	0	113.7	N942 P943 R950	N942-L946 PolarHBondContact O-N 3.04Å; P943-L946 PolarHBondContact O-N 3.26Å; L946-R950 WeakPolarHBondContact O-CD 2.94Å; L946-R950 VanDerWaalsContact O-CG 3.27Å; L946-R950 WeakPolarHBondContact O-CG 3.48Å; L946-R950 PolarHBondContact O-N 3.41Å
947	S	59	Low	52.8	Low	29 Å²	29	56.5 Å²	56.5	20%	0.203	35%	0.352	C	S	.	.	H	α-helix	trans	-71.5	-43.9	170.8	30.8	0	0	0	0	112.8	P943 I944 A945 C949 R950	P943-S947 PolarHBondContact O-N 3.36Å; P943-S947 PolarHBondContact O-OG 3.5Å; I944-S947 WeakPolarHBondContact CA-OG 3.29Å; I944-S947 PolarHBondContact O-N 2.8Å; I944-S947 PolarHBondContact O-OG 3.01Å; A945-S947 VanDerWaalsContact C-N 3.33Å; A945-S947 PolarHBondContact O-N 3.39Å; S947-C949 VanDerWaalsContact C-N 3.29Å; S947-C949 PolarHBondContact O-N 2.8Å; S947-R950 PolarHBondContact O-N 2.92Å
948	I	61.3	Low	52.9	Low	2 Å²	2	54.6 Å²	54.6	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-65.2	-37	175.8	-60.3	171.6	0	0	0	110.5	F798 Y927 L931 I944 A945 R950 L951 I967	F798-I948 HydrophobicContact CB-CG1 4.32Å; F798-I948 HydrophobicContact CD1-CB 4.49Å; F798-I948 HydrophobicContact CD1-CD1 4.06Å; F798-I948 HydrophobicContact CD1-CG1 3.74Å; F798-I948 HydrophobicContact CD1-CG2 4.1Å; F798-I948 HydrophobicContact CD2-CD1 4.35Å; F798-I948 HydrophobicContact CE1-CD1 4.25Å; F798-I948 HydrophobicContact CE1-CG1 4.2Å; F798-I948 HydrophobicContact CE1-CG2 3.85Å; F798-I948 HydrophobicContact CG-CD1 4.12Å; F798-I948 HydrophobicContact CG-CG1 4.06Å; F798-I948 HydrophobicContact CZ-CD1 4.5Å; Y927-I948 HydrophobicContact CD1-CD1 3.61Å; Y927-I948 HydrophobicContact CD1-CG1 4.48Å; Y927-I948 HydrophobicContact CE1-CD1 4.47Å; Y927-I948 HydrophobicContact CG-CD1 4.18Å; L931-I948 HydrophobicContact CD1-CD1 4.2Å; L931-I948 HydrophobicContact CD2-CB 4.25Å; L931-I948 HydrophobicContact CD2-CD1 4.24Å; L931-I948 HydrophobicContact CD2-CG2 3.92Å; L931-I948 HydrophobicContact CG-CD1 4.17Å; I944-I948 PolarHBondContact O-N 3.19Å; A945-I948 PolarHBondContact O-N 2.76Å; I948-R950 PolarHBondContact O-N 2.74Å; I948-R950 VanDerWaalsContact O-N 3.12Å; I948-L951 HydrophobicContact CG2-CD1 3.84Å; I948-L951 WeakPolarHBondContact O-CB 3.24Å; I948-L951 WeakPolarHBondContact O-CD1 3.35Å; I948-L951 WeakPolarHBondContact O-CG 3.4Å; I948-L951 PolarHBondContact O-N 3.32Å; I948-I967 HydrophobicContact CG2-CD1 3.59Å
949	C	54.3	Low	53.8	Low	14 Å²	14	53.2 Å²	53.2	10%	0.095	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-7.9	173.7	-75.1	0	0	0	0	114.9	L934 A945 S947 Y960	L934-C949 WeakPolarHBondContact CD1-SG 3.49Å; A945-C949 WeakPolarHBondContact O-CB 3.42Å; A945-C949 PolarHBondContact O-N 2.95Å; A945-C949 PolarHBondContact O-SG 2.79Å; A945-C949 VanDerWaalsContact O-SG 3.36Å; S947-C949 VanDerWaalsContact C-N 3.29Å; S947-C949 PolarHBondContact O-N 2.8Å; C949-Y960 HydrophobicContact CB-CD1 3.75Å; C949-Y960 HydrophobicContact CB-CE1 3.95Å; C949-Y960 VanDerWaalsContact O-CE1 3.29Å; C949-Y960 WeakPolarHBondContact O-CE1 3.13Å
950	R	54	Low	54.9	Low	133 Å²	133	54.7 Å²	54.7	50%	0.502	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	11	177	-73.8	170.7	-177.6	-148.7	-2.2	113.7	L946 S947 I948	L946-R950 WeakPolarHBondContact O-CD 2.94Å; L946-R950 VanDerWaalsContact O-CG 3.27Å; L946-R950 WeakPolarHBondContact O-CG 3.48Å; L946-R950 PolarHBondContact O-N 3.41Å; S947-R950 PolarHBondContact O-N 2.92Å; I948-R950 PolarHBondContact O-N 2.74Å; I948-R950 VanDerWaalsContact O-N 3.12Å
951	L	57.7	Low	55.8	Low	20 Å²	20	52 Å²	52	11%	0.105	30%	0.303	C	S	.	.			trans	-60.2	148.2	175.4	-71.9	171	0	0	0	112.5	F798 R802 P804 I948 N953 I967	F798-L951 HydrophobicContact CD1-CD1 4.47Å; F798-L951 HydrophobicContact CE1-CD1 4.32Å; R802-L951 WeakPolarHBondContact O-CD2 3.29Å; P804-L951 HydrophobicContact CG-CD1 3.79Å; I948-L951 HydrophobicContact CG2-CD1 3.84Å; I948-L951 WeakPolarHBondContact O-CB 3.24Å; I948-L951 WeakPolarHBondContact O-CD1 3.35Å; I948-L951 WeakPolarHBondContact O-CG 3.4Å; I948-L951 PolarHBondContact O-N 3.32Å; L951-N953 PolarHBondContact O-N 3.01Å; L951-I967 HydrophobicContact CD1-CD1 3.89Å
952	P	43.7	Very low	56.9	Low	17 Å²	17	49 Å²	49	11%	0.11	28%	0.284	C	S	.	.			trans	-87.1	21.1	-156.8	34.1	-37.7	0	0	0	117.3	V423 R504 D803	V423-P952 HydrophobicContact CB-CB 3.8Å; V423-P952 HydrophobicContact CG2-CB 3.6Å; V423-P952 HydrophobicContact CG2-CG 4.35Å; R504-P952 PolarHBondContact NH1-O 3Å; R504-P952 PolarHBondContact NH2-O 3.39Å; D803-P952 HydrophobicContact CB-CG 3.91Å
953	N	50.2	Low	57.9	Low	31 Å²	31	49 Å²	49	17%	0.166	28%	0.284	C	S	.	.			trans	-95.5	157.3	-165.4	-65.4	43	0	0	0	114.4	R504 D803 T805 R849 L951	R504-N953 PolarHBondContact NH1-O 3.16Å; D803-N953 VanDerWaalsContact CG-ND2 3.28Å; D803-N953 PolarHBondContact OD1-ND2 3.19Å; D803-N953 PolarHBondContact OD1-OD1 2.7Å; D803-N953 PolarHBondContact OD2-ND2 2.8Å; D803-N953 PolarHBondContact OD2-OD1 2.78Å; T805-N953 PolarHBondContact OG1-ND2 3.43Å; R849-N953 PolarHBondContact O-ND2 3.13Å; L951-N953 PolarHBondContact O-N 3.01Å
954	T	41.6	Very low	59.1	Low	31 Å²	31	44.5 Å²	44.5	19%	0.19	26%	0.255	C	S	.	.	S	Bend		-99.4	162.6	-128.7	43.1	0	0	0	0	117.7	R849 D851	R849-T954 VanDerWaalsContact CD-OG1 3.26Å; R849-T954 WeakPolarHBondContact CD-OG1 3.49Å; R849-T954 PolarHBondContact NE-OG1 2.88Å; D851-T954 WeakPolarHBondContact OD2-CG2 3.37Å; D851-T954 PolarHBondContact OD2-OG1 2.94Å
955	S	41.4	Very low	60	Low	45 Å²	45	47 Å²	47	32%	0.315	27%	0.265	S	S	.	.	S	Bend	trans	70.2	143.3	-174.8	85.1	0	0	0	0	116.6	S957	S955-S957 PolarHBondContact O-N 2.93Å; S955-S957 PolarHBondContact OG-OG 2.78Å
956	G	47.2	Very low	61.3	Low	92 Å²	92	47.2 Å²	47.2	95%	0.948	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	45.1	-177.8	0	0	0	0	0	114.4
957	S	54.5	Low	62.8	Low	30 Å²	30	44 Å²	44	21%	0.21	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-47.6	-164.6	-61.5	0	0	0	0	114	S955 F1083	S955-S957 PolarHBondContact O-N 2.93Å; S955-S957 PolarHBondContact OG-OG 2.78Å; S957-F1083 VanDerWaalsContact CB-CE1 3.45Å; S957-F1083 WeakPolarHBondContact O-CE1 3.1Å; S957-F1083 WeakPolarHBondContact O-CZ 3.3Å
958	V	61.3	Low	64.1	Low	28 Å²	28	43 Å²	43	17%	0.17	24%	0.243	C	C	.	.			trans	-81.1	138.7	-163.3	-174.2	0	0	0	0	111.3	P847 Q962 I963	P847-V958 HydrophobicContact CB-CG1 3.81Å; V958-Q962 HydrophobicContact CG1-CB 3.82Å; V958-I963 HydrophobicContact CB-CD1 4.46Å; V958-I963 HydrophobicContact CB-CG1 4.38Å; V958-I963 HydrophobicContact CG1-CD1 4.3Å; V958-I963 HydrophobicContact CG1-CG1 3.7Å
959	T	70.4	Confident	65.2	Low	50 Å²	50	44.1 Å²	44.1	31%	0.307	25%	0.25	S	C	.	.			trans	-80.8	148.7	175.3	65.3	0	0	0	0	112.2	D961 Q962 I963	T959-D961 PolarHBondContact O-N 3.36Å; T959-Q962 WeakPolarHBondContact O-CB 3.46Å; T959-Q962 PolarHBondContact O-N 2.79Å; T959-Q962 VanDerWaalsContact OG1-CD 3.29Å; T959-Q962 WeakPolarHBondContact OG1-CG 3.47Å; T959-Q962 PolarHBondContact OG1-OE1 2.85Å; T959-I963 PolarHBondContact O-N 2.88Å
960	Y	67.5	Low	66.9	Low	74 Å²	74	43.4 Å²	43.4	29%	0.29	25%	0.245	S	C	.	.	H	α-helix	trans	-61	-32.8	-177.6	-76	-103.2	0	0	0	112.7	Q506 C949 Q962 I963 T964	Q506-Y960 HydrophobicContact CG-CD2 4.27Å; Q506-Y960 HydrophobicContact CG-CE2 3.45Å; Q506-Y960 VanDerWaalsContact CG-CE2 3.45Å; Q506-Y960 VanDerWaalsContact NE2-CE1 3.33Å; Q506-Y960 VanDerWaalsContact NE2-CE2 3.3Å; C949-Y960 HydrophobicContact CB-CD1 3.75Å; C949-Y960 HydrophobicContact CB-CE1 3.95Å; C949-Y960 VanDerWaalsContact O-CE1 3.29Å; C949-Y960 WeakPolarHBondContact O-CE1 3.13Å; Y960-Q962 VanDerWaalsContact C-N 3.26Å; Y960-Q962 PolarHBondContact O-N 2.72Å; Y960-I963 PolarHBondContact O-N 2.73Å; Y960-T964 VanDerWaalsContact O-CB 3.28Å; Y960-T964 WeakPolarHBondContact O-CB 3.41Å; Y960-T964 PolarHBondContact O-N 3.18Å; Y960-T964 PolarHBondContact O-OG1 3.4Å
961	D	69.9	Low	68.6	Low	82 Å²	82	37.1 Å²	37.1	44%	0.439	22%	0.221	S	C	.	.	H	α-helix	trans	-50	-46.9	169	-53	-7.7	0	0	0	111.5	T959 Q965 K1105	T959-D961 PolarHBondContact O-N 3.36Å; D961-Q965 VanDerWaalsContact O-CB 3.26Å; D961-Q965 WeakPolarHBondContact O-CB 3.43Å; D961-Q965 PolarHBondContact O-N 3.04Å; D961-K1105 IonicContact OD2-NZ 3.59Å; D961-K1105 PolarHBondContact OD2-NZ 2.77Å
962	Q	73.2	Confident	70.1	Confident	83 Å²	83	36.1 Å²	36.1	39%	0.388	22%	0.216	S	C	.	.	H	α-helix	trans	-74.5	-40.2	-172.7	-66.9	165.8	-65.4	0	0	112.2	P847 V958 T959 Y960 Q965 A966	P847-Q962 HydrophobicContact CB-CB 4.4Å; V958-Q962 HydrophobicContact CG1-CB 3.82Å; T959-Q962 WeakPolarHBondContact O-CB 3.46Å; T959-Q962 PolarHBondContact O-N 2.79Å; T959-Q962 VanDerWaalsContact OG1-CD 3.29Å; T959-Q962 WeakPolarHBondContact OG1-CG 3.47Å; T959-Q962 PolarHBondContact OG1-OE1 2.85Å; Y960-Q962 VanDerWaalsContact C-N 3.26Å; Y960-Q962 PolarHBondContact O-N 2.72Å; Q962-Q965 PolarHBondContact O-N 3.17Å; Q962-A966 VanDerWaalsContact O-CB 3.27Å; Q962-A966 WeakPolarHBondContact O-CB 3.22Å; Q962-A966 PolarHBondContact O-N 3.06Å
963	I	79.7	Confident	72.2	Confident	35 Å²	35	35.3 Å²	35.3	18%	0.179	21%	0.211	C	C	.	.	H	α-helix	trans	-64.3	-46.5	174.9	-55.6	177.5	0	0	0	109.4	P847 L848 V958 T959 Y960 Q965 A966 I967	P847-I963 HydrophobicContact CB-CG1 4.32Å; L848-I963 HydrophobicContact CD2-CG2 4.34Å; V958-I963 HydrophobicContact CB-CD1 4.46Å; V958-I963 HydrophobicContact CB-CG1 4.38Å; V958-I963 HydrophobicContact CG1-CD1 4.3Å; V958-I963 HydrophobicContact CG1-CG1 3.7Å; T959-I963 PolarHBondContact O-N 2.88Å; Y960-I963 PolarHBondContact O-N 2.73Å; I963-Q965 PolarHBondContact O-N 3.24Å; I963-A966 PolarHBondContact O-N 3.32Å; I963-I967 HydrophobicContact CG2-CD1 3.95Å; I963-I967 WeakPolarHBondContact O-CG1 3.25Å; I963-I967 PolarHBondContact O-N 2.77Å
964	T	80.9	Confident	74	Confident	3 Å²	3	33.9 Å²	33.9	2%	0.018	20%	0.203	C	C	.	.	H	α-helix	trans	-58	-47.1	176.7	-57	0	0	0	0	111.4	L931 L934 Y960 T968	L931-T964 HydrophobicContact CB-CG2 4.04Å; L931-T964 HydrophobicContact CD2-CG2 3.9Å; L931-T964 WeakPolarHBondContact O-CG2 3.33Å; L934-T964 HydrophobicContact CB-CG2 3.71Å; L934-T964 HydrophobicContact CD1-CG2 4.33Å; Y960-T964 VanDerWaalsContact O-CB 3.28Å; Y960-T964 WeakPolarHBondContact O-CB 3.41Å; Y960-T964 PolarHBondContact O-N 3.18Å; Y960-T964 PolarHBondContact O-OG1 3.4Å; T964-T968 WeakPolarHBondContact O-CB 3.32Å; T964-T968 PolarHBondContact O-N 3.17Å; T964-T968 VanDerWaalsContact O-N 3.07Å; T964-T968 PolarHBondContact O-OG1 3.38Å
965	Q	79.4	Confident	76.3	Confident	118 Å²	118	32.8 Å²	32.8	55%	0.551	20%	0.196	S	C	*	.	H	α-helix	trans	-65.2	-44	178.8	-172	171.1	12.3	0	0	111.7	D961 Q962 I963 T968 T969	D961-Q965 VanDerWaalsContact O-CB 3.26Å; D961-Q965 WeakPolarHBondContact O-CB 3.43Å; D961-Q965 PolarHBondContact O-N 3.04Å; Q962-Q965 PolarHBondContact O-N 3.17Å; I963-Q965 PolarHBondContact O-N 3.24Å; Q965-T968 WeakPolarHBondContact O-CB 3.39Å; Q965-T968 PolarHBondContact O-N 3.41Å; Q965-T969 PolarHBondContact O-N 3.19Å; Q965-T969 PolarHBondContact O-OG1 3.32Å; Q965-T969 VanDerWaalsContact O-OG1 3.14Å
966	A	83.9	Confident	78.4	Confident	6 Å²	6	34.4 Å²	34.4	5%	0.05	20%	0.195	C	C	.	.	H	α-helix	trans	-59.1	-52.1	178.1	0	0	0	0	0	112.1	T840 P847 L848 Q962 I963 T968 T969 C970	T840-A966 HydrophobicContact CG2-CB 3.94Å; P847-A966 HydrophobicContact CB-CB 4.1Å; P847-A966 HydrophobicContact CG-CB 3.84Å; L848-A966 HydrophobicContact CD1-CB 3.84Å; L848-A966 HydrophobicContact CG-CB 4.01Å; Q962-A966 VanDerWaalsContact O-CB 3.27Å; Q962-A966 WeakPolarHBondContact O-CB 3.22Å; Q962-A966 PolarHBondContact O-N 3.06Å; I963-A966 PolarHBondContact O-N 3.32Å; A966-T968 VanDerWaalsContact C-N 3.28Å; A966-T968 PolarHBondContact O-N 3.39Å; A966-T969 WeakPolarHBondContact CA-OG1 3.5Å; A966-T969 PolarHBondContact O-N 2.81Å; A966-T969 VanDerWaalsContact O-N 3.13Å; A966-T969 PolarHBondContact O-OG1 2.85Å; A966-C970 PolarHBondContact O-N 3.42Å; A966-C970 PolarHBondContact O-SG 2.91Å
967	I	86.9	Confident	80.4	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-59.7	-41.5	177.9	-62.4	172.5	0	0	0	110.4	F798 L808 L848 L931 I948 L951 I963 T969 C970 L971	F798-I967 HydrophobicContact CE1-CG2 4.17Å; F798-I967 HydrophobicContact CZ-CG2 3.82Å; L808-I967 HydrophobicContact CD1-CG2 4.4Å; L848-I967 HydrophobicContact CD1-CG1 4.04Å; L848-I967 HydrophobicContact CD2-CD1 4.22Å; L848-I967 HydrophobicContact CD2-CG1 3.8Å; L848-I967 HydrophobicContact CG-CG1 4.46Å; L931-I967 HydrophobicContact CD1-CB 4.26Å; L931-I967 HydrophobicContact CD1-CG2 3.65Å; I948-I967 HydrophobicContact CG2-CD1 3.59Å; L951-I967 HydrophobicContact CD1-CD1 3.89Å; I963-I967 HydrophobicContact CG2-CD1 3.95Å; I963-I967 WeakPolarHBondContact O-CG1 3.25Å; I963-I967 PolarHBondContact O-N 2.77Å; I967-T969 PolarHBondContact O-N 2.76Å; I967-C970 PolarHBondContact O-N 2.86Å; I967-L971 HydrophobicContact CG2-CD1 3.9Å; I967-L971 HydrophobicContact CG2-CG 4.2Å; I967-L971 WeakPolarHBondContact O-CG 3.37Å; I967-L971 PolarHBondContact O-N 3.07Å
968	T	87.1	Confident	81.9	Confident	8 Å²	8	29.1 Å²	29.1	5%	0.049	14%	0.142	C	C	.	.	H	α-helix	trans	-58.8	-46.6	175.8	-54.5	0	0	0	0	111.5	L928 T964 Q965 A966 V972 L1039	L928-T968 HydrophobicContact CD1-CG2 4.16Å; T964-T968 WeakPolarHBondContact O-CB 3.32Å; T964-T968 PolarHBondContact O-N 3.17Å; T964-T968 VanDerWaalsContact O-N 3.07Å; T964-T968 PolarHBondContact O-OG1 3.38Å; Q965-T968 WeakPolarHBondContact O-CB 3.39Å; Q965-T968 PolarHBondContact O-N 3.41Å; A966-T968 VanDerWaalsContact C-N 3.28Å; A966-T968 PolarHBondContact O-N 3.39Å; T968-V972 WeakPolarHBondContact O-CB 3.35Å; T968-V972 WeakPolarHBondContact O-CG2 3.3Å; T968-V972 PolarHBondContact O-N 2.85Å; T968-V972 VanDerWaalsContact O-N 3.12Å; T968-L1039 HydrophobicContact CG2-CD1 3.87Å; T968-L1039 HydrophobicContact CG2-CD2 4.41Å
969	T	84.4	Confident	83	Confident	25 Å²	25	30.1 Å²	30.1	15%	0.153	15%	0.15	C	C	.	.	H	α-helix	trans	-66.6	-37.7	177.9	46	0	0	0	0	112.7	Q965 A966 I967 T973	Q965-T969 PolarHBondContact O-N 3.19Å; Q965-T969 PolarHBondContact O-OG1 3.32Å; Q965-T969 VanDerWaalsContact O-OG1 3.14Å; A966-T969 WeakPolarHBondContact CA-OG1 3.5Å; A966-T969 PolarHBondContact O-N 2.81Å; A966-T969 VanDerWaalsContact O-N 3.13Å; A966-T969 PolarHBondContact O-OG1 2.85Å; I967-T969 PolarHBondContact O-N 2.76Å; T969-T973 WeakPolarHBondContact O-CB 3.18Å; T969-T973 PolarHBondContact O-N 2.89Å
970	C	90.3	Very high	83.2	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66	-47.9	176.9	-60.5	0	0	0	0	112.2	L808 V812 F841 A966 I967 V972 T973 A974 Y1042	L808-C970 HydrophobicContact CB-CB 4Å; L808-C970 HydrophobicContact CD1-CB 4.05Å; L808-C970 HydrophobicContact CD2-CB 3.89Å; L808-C970 HydrophobicContact CG-CB 4.19Å; V812-C970 HydrophobicContact CG2-CB 4.24Å; F841-C970 VanDerWaalsContact CZ-SG 3.54Å; A966-C970 PolarHBondContact O-N 3.42Å; A966-C970 PolarHBondContact O-SG 2.91Å; I967-C970 PolarHBondContact O-N 2.86Å; C970-V972 VanDerWaalsContact C-N 3.33Å; C970-V972 PolarHBondContact O-N 3.28Å; C970-T973 PolarHBondContact O-N 2.72Å; C970-A974 PolarHBondContact O-N 2.69Å; C970-Y1042 PolarHBondContact SG-OH 2.93Å; C970-Y1042 VanDerWaalsContact SG-OH 3.38Å
971	L	90	Very high	82.4	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.2	-42.9	177.4	-69.8	173.7	0	0	0	111.6	I794 F798 L808 L924 L928 L931 I967 T973 A974 H975 W1036	I794-L971 HydrophobicContact CG2-CD2 4.05Å; F798-L971 HydrophobicContact CE2-CD1 4.11Å; F798-L971 HydrophobicContact CE2-CD2 4.21Å; F798-L971 HydrophobicContact CZ-CD1 4.08Å; F798-L971 HydrophobicContact CZ-CD2 4.28Å; L808-L971 HydrophobicContact CD2-CD2 4.05Å; L924-L971 HydrophobicContact CD1-CD2 4.43Å; L928-L971 HydrophobicContact CD1-CB 4.36Å; L931-L971 HydrophobicContact CD1-CD1 4.04Å; I967-L971 HydrophobicContact CG2-CD1 3.9Å; I967-L971 HydrophobicContact CG2-CG 4.2Å; I967-L971 WeakPolarHBondContact O-CG 3.37Å; I967-L971 PolarHBondContact O-N 3.07Å; L971-T973 VanDerWaalsContact C-N 3.35Å; L971-T973 PolarHBondContact O-N 3.16Å; L971-A974 WeakPolarHBondContact O-CB 3.44Å; L971-A974 PolarHBondContact O-N 3.26Å; L971-H975 PolarHBondContact O-N 2.77Å; L971-W1036 HydrophobicContact CB-CH2 4.48Å; L971-W1036 HydrophobicContact CB-CZ3 4.11Å; L971-W1036 WeakPolarHBondContact O-CZ3 3.24Å
972	V	88.1	Confident	81.4	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.6	-40.3	177.2	172.4	0	0	0	0	111.1	L928 T968 C970 H975 R976 W1036 L1039 P1041	L928-V972 HydrophobicContact CD1-CG2 3.97Å; T968-V972 WeakPolarHBondContact O-CB 3.35Å; T968-V972 WeakPolarHBondContact O-CG2 3.3Å; T968-V972 PolarHBondContact O-N 2.85Å; T968-V972 VanDerWaalsContact O-N 3.12Å; C970-V972 VanDerWaalsContact C-N 3.33Å; C970-V972 PolarHBondContact O-N 3.28Å; V972-H975 PolarHBondContact O-N 3.36Å; V972-R976 WeakPolarHBondContact O-CG 3.38Å; V972-R976 PolarHBondContact O-N 3.35Å; V972-R976 VanDerWaalsContact O-N 3.09Å; V972-W1036 HydrophobicContact CG2-CE3 4.35Å; V972-L1039 HydrophobicContact CB-CB 4.4Å; V972-L1039 HydrophobicContact CG1-CB 4.1Å; V972-L1039 HydrophobicContact CG2-CB 3.55Å; V972-L1039 HydrophobicContact CG2-CD1 3.68Å; V972-L1039 HydrophobicContact CG2-CG 4.27Å; V972-P1041 HydrophobicContact CG1-CB 4.3Å
973	T	87.7	Confident	79.5	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.8	-37.1	172.2	-84.7	0	0	0	0	112.5	V812 Y815 T969 C970 L971 R976 Y977 P1041 Y1042	V812-T973 HydrophobicContact CB-CG2 4.42Å; V812-T973 HydrophobicContact CG2-CG2 3.81Å; Y815-T973 HydrophobicContact CD1-CG2 3.44Å; Y815-T973 VanDerWaalsContact CD1-CG2 3.44Å; Y815-T973 HydrophobicContact CD2-CG2 4.44Å; Y815-T973 HydrophobicContact CE1-CG2 4.1Å; Y815-T973 HydrophobicContact CG-CG2 3.63Å; T969-T973 WeakPolarHBondContact O-CB 3.18Å; T969-T973 PolarHBondContact O-N 2.89Å; C970-T973 PolarHBondContact O-N 2.72Å; L971-T973 VanDerWaalsContact C-N 3.35Å; L971-T973 PolarHBondContact O-N 3.16Å; T973-R976 PolarHBondContact O-N 3.36Å; T973-Y977 PolarHBondContact O-N 3.36Å; T973-P1041 WeakPolarHBondContact OG1-CA 3.05Å; T973-P1041 WeakPolarHBondContact OG1-CB 3.5Å; T973-Y1042 HydrophobicContact CG2-CD2 4.27Å; T973-Y1042 WeakPolarHBondContact OG1-CD2 3.24Å; T973-Y1042 PolarHBondContact OG1-N 2.68Å; T973-Y1042 VanDerWaalsContact OG1-N 3.09Å
974	A	89.4	Confident	77	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-45.9	174.4	0	0	0	0	0	112.2	I811 F920 C970 L971 R976 Y977 Y978	I811-A974 HydrophobicContact CB-CB 4.38Å; I811-A974 HydrophobicContact CD1-CB 4.3Å; I811-A974 HydrophobicContact CG2-CB 3.6Å; F920-A974 HydrophobicContact CZ-CB 3.89Å; C970-A974 PolarHBondContact O-N 2.69Å; L971-A974 WeakPolarHBondContact O-CB 3.44Å; L971-A974 PolarHBondContact O-N 3.26Å; A974-R976 VanDerWaalsContact C-N 3.29Å; A974-R976 PolarHBondContact O-N 2.94Å; A974-Y977 WeakPolarHBondContact O-CB 3.3Å; A974-Y977 PolarHBondContact O-N 3.3Å; A974-Y977 VanDerWaalsContact O-N 3.11Å; A974-Y978 WeakPolarHBondContact O-CD2 3.34Å; A974-Y978 PolarHBondContact O-N 3.13Å; A974-Y978 VanDerWaalsContact O-N 3.11Å
975	H	89.6	Confident	74.5	Confident	8 Å²	8	43.8 Å²	43.8	4%	0.037	25%	0.246	C	C	.	.	H	α-helix	trans	-55.2	-45.2	171.9	176.7	-88.6	0	0	0	111.8	F920 E921 L971 V972 Y977 Y978 S979 W1036	F920-H975 HydrophobicContact CD1-CB 4.44Å; F920-H975 HydrophobicContact CE1-CB 3.92Å; E921-H975 WeakPolarHBondContact CG-NE2 3.27Å; E921-H975 IonicContact OE1-CD2 2.69Å; E921-H975 IonicContact OE1-CE1 3.71Å; E921-H975 IonicContact OE1-NE2 2.72Å; E921-H975 PolarHBondContact OE1-NE2 2.85Å; L971-H975 PolarHBondContact O-N 2.77Å; V972-H975 PolarHBondContact O-N 3.36Å; H975-Y977 PolarHBondContact O-N 3.33Å; H975-Y978 PolarHBondContact O-N 2.83Å; H975-S979 PolarHBondContact CE1-OG 2.56Å; H975-S979 VanDerWaalsContact O-CB 3.25Å; H975-S979 WeakPolarHBondContact O-CB 3.31Å; H975-S979 PolarHBondContact O-N 3.17Å; H975-S979 PolarHBondContact O-OG 3.18Å; H975-W1036 HydrophobicContact CB-CD2 4.11Å; H975-W1036 HydrophobicContact CB-CE3 3.46Å; H975-W1036 VanDerWaalsContact CB-CE3 3.46Å; H975-W1036 HydrophobicContact CB-CZ3 3.88Å; H975-W1036 AromaticContact CD2-CD2 3.93Å; H975-W1036 AromaticContact CD2-CG 3.92Å; H975-W1036 AromaticContact CG-CD2 3.97Å; H975-W1036 AromaticContact CG-CE3 3.83Å
976	R	85.6	Confident	71.9	Confident	78 Å²	78	40 Å²	40	29%	0.294	24%	0.235	S	C	.	.	H	α-helix	trans	-66.2	-33.7	176.9	-63.9	-50.5	-175.7	141.3	9	113.4	Y815 V972 T973 A974 S979 M980 W1036 P1041	Y815-R976 HydrophobicContact CE2-CB 4.02Å; V972-R976 WeakPolarHBondContact O-CG 3.38Å; V972-R976 PolarHBondContact O-N 3.35Å; V972-R976 VanDerWaalsContact O-N 3.09Å; T973-R976 PolarHBondContact O-N 3.36Å; A974-R976 VanDerWaalsContact C-N 3.29Å; A974-R976 PolarHBondContact O-N 2.94Å; R976-S979 PolarHBondContact O-N 2.9Å; R976-M980 WeakPolarHBondContact O-CG 3.37Å; R976-M980 PolarHBondContact O-N 2.93Å; R976-M980 VanDerWaalsContact O-N 3.13Å; R976-W1036 PolarHBondContact NH2-O 2.86Å; R976-P1041 HydrophobicContact CG-CB 4.26Å; R976-P1041 HydrophobicContact CG-CG 4.32Å
977	Y	87.9	Confident	69.3	Low	7 Å²	7	42.5 Å²	42.5	3%	0.027	25%	0.247	C	C	.	.	H	α-helix	trans	-63.7	-47.7	175.9	172.3	-99.8	0	0	0	112.4	I811 Q814 R818 T973 A974 H975 M980	I811-Y977 HydrophobicContact CG2-CD1 3.87Å; I811-Y977 HydrophobicContact CG2-CG 4.05Å; Q814-Y977 VanDerWaalsContact C-CE2 3.49Å; Q814-Y977 HydrophobicContact CB-CD2 4.23Å; Q814-Y977 HydrophobicContact CB-CE2 3.41Å; Q814-Y977 VanDerWaalsContact CB-CE2 3.41Å; R818-Y977 HydrophobicContact CG-CE2 4.25Å; R818-Y977 VanDerWaalsContact CZ-OH 3.22Å; R818-Y977 PolarHBondContact NH1-OH 2.92Å; R818-Y977 PolarHBondContact NH2-OH 3.35Å; T973-Y977 PolarHBondContact O-N 3.36Å; A974-Y977 WeakPolarHBondContact O-CB 3.3Å; A974-Y977 PolarHBondContact O-N 3.3Å; A974-Y977 VanDerWaalsContact O-N 3.11Å; H975-Y977 PolarHBondContact O-N 3.33Å; Y977-M980 PolarHBondContact O-N 3.45Å
978	Y	87.6	Confident	66.4	Low	4 Å²	4	49.3 Å²	49.3	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-70.9	-33	176.9	-66.3	-65.6	0	0	0	112.1	L784 P787 C790 I811 F920 A974 H975 M980	L784-Y978 VanDerWaalsContact O-CE1 3.31Å; L784-Y978 WeakPolarHBondContact O-CE1 3.11Å; L784-Y978 PolarHBondContact O-OH 3.14Å; P787-Y978 HydrophobicContact CB-CD1 4.11Å; P787-Y978 HydrophobicContact CB-CD2 4.47Å; P787-Y978 HydrophobicContact CB-CG 4Å; P787-Y978 HydrophobicContact CG-CD1 3.72Å; P787-Y978 HydrophobicContact CG-CE1 4.49Å; P787-Y978 HydrophobicContact CG-CG 3.96Å; C790-Y978 HydrophobicContact CB-CE2 4.37Å; C790-Y978 PolarHBondContact SG-OH 3.42Å; I811-Y978 HydrophobicContact CG2-CE2 4.39Å; F920-Y978 HydrophobicContact CD2-CD2 4.18Å; F920-Y978 HydrophobicContact CD2-CE2 4.36Å; F920-Y978 AromaticContact CE2-CD2 3.96Å; F920-Y978 HydrophobicContact CE2-CD2 3.96Å; F920-Y978 AromaticContact CE2-CE2 3.91Å; F920-Y978 HydrophobicContact CE2-CE2 3.91Å; F920-Y978 HydrophobicContact CZ-CD2 4.48Å; A974-Y978 WeakPolarHBondContact O-CD2 3.34Å; A974-Y978 PolarHBondContact O-N 3.13Å; A974-Y978 VanDerWaalsContact O-N 3.11Å; H975-Y978 PolarHBondContact O-N 2.83Å; Y978-M980 PolarHBondContact O-N 3.09Å
979	S	84.5	Confident	63.7	Low	49 Å²	49	53.5 Å²	53.5	34%	0.343	30%	0.301	S	S	.	.	H	α-helix	trans	-67.8	-16.2	174	-60.9	0	0	0	0	114.2	H975 R976 S981	H975-S979 PolarHBondContact CE1-OG 2.56Å; H975-S979 VanDerWaalsContact O-CB 3.25Å; H975-S979 WeakPolarHBondContact O-CB 3.31Å; H975-S979 PolarHBondContact O-N 3.17Å; H975-S979 PolarHBondContact O-OG 3.18Å; R976-S979 PolarHBondContact O-N 2.9Å; S979-S981 PolarHBondContact O-N 3.27Å
980	M	73.9	Confident	60.9	Low	56 Å²	56	56.3 Å²	56.3	28%	0.276	31%	0.312	S	S	.	.	S	Bend	trans	-76.8	115.8	173.9	-78	176.3	72.4	0	0	109.9	Y815 R976 Y977 Y978 Q982	Y815-M980 HydrophobicContact CD2-SD 4.07Å; Y815-M980 HydrophobicContact CE2-SD 3.63Å; R976-M980 WeakPolarHBondContact O-CG 3.37Å; R976-M980 PolarHBondContact O-N 2.93Å; R976-M980 VanDerWaalsContact O-N 3.13Å; Y977-M980 PolarHBondContact O-N 3.45Å; Y978-M980 PolarHBondContact O-N 3.09Å; M980-Q982 PolarHBondContact O-N 2.95Å
981	S	50.8	Low	58	Low	103 Å²	103	63 Å²	63	72%	0.72	35%	0.353	S	S	*	.			trans	-52.7	125.9	173	-47.1	0	0	0	0	110.4	S979 I983	S979-S981 PolarHBondContact O-N 3.27Å; S981-I983 PolarHBondContact O-N 2.89Å
982	Q	49.2	Very low	55	Low	103 Å²	103	70 Å²	70	48%	0.481	38%	0.38	S	S	.	.			trans	-71	112.7	169.4	-82.9	158.5	-71.2	0	0	108	M980 S984	M980-Q982 PolarHBondContact O-N 2.95Å; Q982-S984 PolarHBondContact O-N 3.38Å
983	I	33.2	Very low	51.9	Low	172 Å²	172	77.2 Å²	77.2	88%	0.882	42%	0.418	S	S	*	.			trans	-86.4	85.9	174.2	-59.4	168.1	0	0	0	107.1	S981	S981-I983 PolarHBondContact O-N 2.89Å
984	S	26.3	Very low	49.2	Very low	85 Å²	85	82.3 Å²	82.3	59%	0.594	45%	0.454	S	S	*	.			trans	-158.1	140.2	177.8	51.3	0	0	0	0	107.8	Q982	Q982-S984 PolarHBondContact O-N 3.38Å
985	S	28.3	Very low	46.2	Very low	96 Å²	96	84.5 Å²	84.5	67%	0.671	48%	0.477	S	S	*	.			trans	65.3	103.5	-165.8	-169.5	0	0	0	0	112.9
986	A	25.3	Very low	43.2	Very low	39 Å²	39	92.2 Å²	92.2	32%	0.322	51%	0.513	S	S	.	.			trans	-76.8	173.2	130.5	0	0	0	0	0	107.1	V2215	A986-V2215 HydrophobicContact CB-CB 3.88Å; A986-V2215 HydrophobicContact CB-CG1 3.76Å; A986-V2215 HydrophobicContact CB-CG2 3.74Å
987	D	29.7	Very low	40.4	Very low	57 Å²	57	93.4 Å²	93.4	31%	0.305	53%	0.533	S	S	.	.				177.7	155.2	82.6	-75.4	-49.8	0	0	0	114.7	V2215 S2216 N2217 L2218	D987-V2215 VanDerWaalsContact N-CG1 3.33Å; D987-S2216 WeakPolarHBondContact OD1-CA 3.39Å; D987-S2216 PolarHBondContact OD1-N 3.42Å; D987-N2217 PolarHBondContact OD1-N 3.27Å; D987-N2217 WeakPolarHBondContact OD2-CA 3.48Å; D987-N2217 PolarHBondContact OD2-N 3.19Å; D987-L2218 HydrophobicContact CB-CD1 4.24Å; D987-L2218 PolarHBondContact OD2-N 3.4Å; D987-L2218 VanDerWaalsContact OD2-N 3.12Å
988	Y	26.1	Very low	37.7	Very low	144 Å²	144	100.7 Å²	100.7	57%	0.565	57%	0.571	S	S	*	*			trans	72.9	160.6	-176	-90.5	-46.4	0	0	0	121.4	V2215 S2216 N2217	Y988-V2215 WeakPolarHBondContact CA-O 3.42Å; Y988-V2215 PolarHBondContact N-O 3.41Å; Y988-S2216 VanDerWaalsContact CE1-CB 3.48Å; Y988-S2216 VanDerWaalsContact CZ-CB 3.45Å; Y988-N2217 HydrophobicContact CD2-CB 4.43Å; Y988-N2217 WeakPolarHBondContact CD2-OD1 3.32Å; Y988-N2217 HydrophobicContact CE2-CB 4.13Å; Y988-N2217 WeakPolarHBondContact CE2-OD1 2.95Å
989	P	30.5	Very low	34.8	Very low	97 Å²	97	109.6 Å²	109.6	63%	0.63	60%	0.604	S	S	*	*				-107.9	165.4	-118.8	41.2	-34.3	0	0	0	117.8	P2214	P989-P2214 HydrophobicContact CB-CG 4.41Å
990	E	24.9	Very low	31.9	Very low	83 Å²	83	113.8 Å²	113.8	39%	0.388	62%	0.618	S	S	.	*			trans	-75	147.5	174.5	-78.4	149.4	138.4	0	0	113.7	A2212 G2213 P2214	E990-A2212 WeakPolarHBondContact OE2-CA 3.48Å; E990-G2213 WeakPolarHBondContact OE2-CA 3.12Å; E990-G2213 PolarHBondContact OE2-N 2.8Å; E990-P2214 HydrophobicContact CB-CG 4.26Å; E990-P2214 HydrophobicContact CG-CB 4.46Å; E990-P2214 HydrophobicContact CG-CG 3.88Å; E990-P2214 WeakPolarHBondContact OE2-CD 3.41Å
991	T	29.6	Very low	29.9	Very low	140 Å²	140	115.1 Å²	115.1	86%	0.859	63%	0.633	S	S	*	*			trans	-116.6	134.8	136.7	42.9	0	0	0	0	109.3
992	R	26.5	Very low	28.7	Very low	147 Å²	147	116.6 Å²	116.6	56%	0.555	63%	0.632	S	S	*	*			trans	-71.6	128	176.2	-66.4	172.5	168	91.8	-0.1	109.6	S2210 E2211	R992-S2210 PolarHBondContact NE-O 2.72Å; R992-S2210 PolarHBondContact NH2-O 2.76Å; R992-E2211 WeakPolarHBondContact CG-O 3.48Å; R992-E2211 PolarHBondContact NE-O 3.22Å; R992-E2211 VanDerWaalsContact NH2-C 3.27Å; R992-E2211 PolarHBondContact NH2-O 2.88Å; R992-E2211 VanDerWaalsContact NH2-O 3.09Å
993	D	23.4	Very low	27.6	Very low	152 Å²	152	118.2 Å²	118.2	81%	0.813	64%	0.638	S	S	*	*				168.4	76.4	116.9	-88.6	-16.9	0	0	0	113
994	S	30.3	Very low	27.2	Very low	108 Å²	108	114.3 Å²	114.3	76%	0.755	63%	0.631	S	S	*	*			trans	-158.6	80.2	151.9	47.6	0	0	0	0	111.4	H996	S994-H996 PolarHBondContact O-N 3.48Å
995	G	27.7	Very low	27.1	Very low	47 Å²	47	121 Å²	121	49%	0.485	64%	0.644	S	S	.	*			trans	-69.8	51.6	178.4	0	0	0	0	0	114.6
996	H	26.1	Very low	27.2	Very low	169 Å²	169	119.4 Å²	119.4	78%	0.782	63%	0.632	S	S	*	*			trans	-140.8	26	-167.5	-102.6	36.8	0	0	0	115.6	S994	S994-H996 PolarHBondContact O-N 3.48Å
997	S	26.7	Very low	27.3	Very low	103 Å²	103	123.7 Å²	123.7	72%	0.72	64%	0.644	S	S	*	*	S	Bend	trans	-153.1	99.9	152.2	-166.1	0	0	0	0	108.3
998	I	31.3	Very low	27.1	Very low	160 Å²	160	129.6 Å²	129.6	82%	0.821	67%	0.669	S	S	*	*	S	Bend		-146.6	0.1	100.7	-93.6	152.4	0	0	0	112.1
999	R	25.7	Very low	27.2	Very low	191 Å²	191	128.9 Å²	128.9	72%	0.721	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	32.7	178.8	-75.1	-168.4	169.4	-155	-6.6	114.8
1000	H	23.8	Very low	27	Very low	137 Å²	137	129.9 Å²	129.9	63%	0.634	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.8	18.3	175	-120.1	-59.3	0	0	0	117.2	L1002	H1000-L1002 PolarHBondContact O-N 3.46Å
1001	S	32.3	Very low	27	Very low	84 Å²	84	130.6 Å²	130.6	59%	0.587	69%	0.685	S	S	*	*			trans	-66	116.6	149.4	176.7	0	0	0	0	109.1	F1003	S1001-F1003 PolarHBondContact O-N 2.96Å
1002	L	25	Very low	26.8	Very low	135 Å²	135	126.6 Å²	126.6	71%	0.707	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	12	-173.9	-79.2	168.3	0	0	0	114.6	H1000	H1000-L1002 PolarHBondContact O-N 3.46Å
1003	F	27.4	Very low	26.8	Very low	136 Å²	136	124.1 Å²	124.1	60%	0.596	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-16.4	178.7	-88.9	-88.9	0	0	0	115	S1001 R1005 S1006 H1034	S1001-F1003 PolarHBondContact O-N 2.96Å; F1003-R1005 PolarHBondContact O-N 3.5Å; F1003-S1006 PolarHBondContact O-N 2.9Å; F1003-H1034 AromaticContact CD1-NE2 3.71Å; F1003-H1034 AromaticContact CE1-NE2 3.29Å; F1003-H1034 VanDerWaalsContact CE1-NE2 3.29Å; F1003-H1034 WeakPolarHBondContact CE1-NE2 3.33Å
1004	A	23.6	Very low	27	Very low	90 Å²	90	121.1 Å²	121.1	74%	0.744	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	14	-174.9	0	0	0	0	0	115.6
1005	R	24.7	Very low	26.7	Very low	227 Å²	227	123.5 Å²	123.5	86%	0.857	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.9	19.6	177.8	-137.9	172.9	-169.4	158.6	6.3	115.4	F1003	F1003-R1005 PolarHBondContact O-N 3.5Å
1006	S	30.3	Very low	26.6	Very low	61 Å²	61	124.5 Å²	124.5	43%	0.427	68%	0.676	S	S	.	*	T	Hydrogen-bonded Turn	trans	-113.7	-11.6	165.2	-157	0	0	0	0	112.7	F1003 E1008 N1009	F1003-S1006 PolarHBondContact O-N 2.9Å; S1006-E1008 PolarHBondContact O-N 2.92Å; S1006-N1009 PolarHBondContact O-N 3.06Å
1007	F	26.9	Very low	26.6	Very low	130 Å²	130	123.8 Å²	123.8	57%	0.57	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-73	-22.1	-167.4	-155.4	-108.6	0	0	0	114.9	N1009	F1007-N1009 VanDerWaalsContact C-N 3.35Å
1008	E	27.1	Very low	26.4	Very low	180 Å²	180	122 Å²	122	84%	0.841	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-80.9	-12.4	174.3	-65.8	-179.7	126.1	0	0	113.5	S1006	S1006-E1008 PolarHBondContact O-N 2.92Å
1009	N	26.7	Very low	26.1	Very low	130 Å²	130	120.1 Å²	120.1	70%	0.695	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-107.5	4.9	-178.7	-79.5	-40.7	0	0	0	114.1	S1006 F1007	S1006-N1009 PolarHBondContact O-N 3.06Å; F1007-N1009 VanDerWaalsContact C-N 3.35Å
1010	L	27	Very low	26.2	Very low	117 Å²	117	117.8 Å²	117.8	61%	0.613	68%	0.683	S	S	*	*	S	Bend	trans	-128.8	11.1	-175.9	-77.3	174.2	0	0	0	115.4	T1012	L1010-T1012 PolarHBondContact O-N 3.13Å
1011	T	25.7	Very low	26.2	Very low	98 Å²	98	116.6 Å²	116.6	60%	0.601	69%	0.69	S	S	*	*	S	Bend	trans	-80	15.4	170.4	47.6	0	0	0	0	113.7
1012	T	24.9	Very low	26	Very low	56 Å²	56	115.2 Å²	115.2	34%	0.344	69%	0.689	S	S	.	*	S	Bend	trans	-130.8	47.3	-173.7	56	0	0	0	0	113.9	L1010 K1724	L1010-T1012 PolarHBondContact O-N 3.13Å; T1012-K1724 PolarHBondContact O-NZ 3.02Å; T1012-K1724 VanDerWaalsContact O-NZ 3.16Å
1013	S	27.1	Very low	26.2	Very low	95 Å²	95	113.8 Å²	113.8	66%	0.664	69%	0.69	S	S	*	*			trans	-166.9	150.2	159.6	-71.5	0	0	0	0	112	K1724	S1013-K1724 PolarHBondContact OG-NZ 3.36Å
1014	A	26.9	Very low	26.2	Very low	89 Å²	89	115.1 Å²	115.1	74%	0.736	70%	0.702	S	S	*	*			trans	97.5	65.9	164.4	0	0	0	0	0	120.2
1015	L	23.9	Very low	26.4	Very low	158 Å²	158	113.6 Å²	113.6	83%	0.827	70%	0.695	S	S	*	*	S	Bend		-134.7	106.9	127.1	-82.8	-178.8	0	0	0	107
1016	G	25.1	Very low	26.5	Very low	69 Å²	69	107.2 Å²	107.2	71%	0.711	69%	0.685	S	S	*	*	S	Bend	trans	161	62.1	-173.5	0	0	0	0	0	117.3
1017	L	26	Very low	26.2	Very low	154 Å²	154	108 Å²	108	81%	0.806	70%	0.703	S	S	*	*			trans	60.8	139.7	151.1	-58.9	168.7	0	0	0	120.8
1018	G	23.5	Very low	26.3	Very low	66 Å²	66	108.9 Å²	108.9	68%	0.68	71%	0.713	S	S	*	*			trans	83.9	106.8	131.1	0	0	0	0	0	119
1019	S	24	Very low	26.2	Very low	119 Å²	119	107 Å²	107	83%	0.832	72%	0.719	S	S	*	*			trans	31.4	96.9	148.8	-60.6	0	0	0	0	119.1
1020	V	27.3	Very low	26.3	Very low	143 Å²	143	105.6 Å²	105.6	87%	0.867	72%	0.72	S	S	*	*			trans	-123.7	112.3	134.7	-164.7	0	0	0	0	107.9
1021	S	25.2	Very low	26.4	Very low	112 Å²	112	104.3 Å²	104.3	78%	0.783	73%	0.726	S	S	*	*			trans	-93.3	124.2	163.9	-168.2	0	0	0	0	107.3
1022	G	27.6	Very low	26.7	Very low	55 Å²	55	102.1 Å²	102.1	57%	0.567	72%	0.723	S	S	*	*			trans	175.4	118.6	-176.7	0	0	0	0	0	108.5
1023	S	29	Very low	27.6	Very low	104 Å²	104	102.3 Å²	102.3	73%	0.727	73%	0.727	S	S	*	*			trans	-98.3	129.7	-162.4	-71.9	0	0	0	0	113.6
1024	I	28.1	Very low	28.9	Very low	165 Å²	165	101.6 Å²	101.6	85%	0.846	71%	0.713	S	S	*	*			trans	-108.8	75	151.3	-51.4	-177.5	0	0	0	108.7
1025	G	27.9	Very low	30.7	Very low	58 Å²	58	98.8 Å²	98.8	60%	0.598	69%	0.685	S	S	*	*			trans	-80.5	147.9	159.9	0	0	0	0	0	109.8
1026	S	27.2	Very low	33.1	Very low	92 Å²	92	91.3 Å²	91.3	64%	0.643	65%	0.646	S	S	*	*			cis	-163.7	120.6	8.3	50.7	0	0	0	0	108.2	K1352	S1026-K1352 PolarHBondContact OG-NZ 3.05Å
1027	G	24	Very low	35	Very low	79 Å²	79	90.5 Å²	90.5	81%	0.814	63%	0.627	S	S	*	*	S	Bend	trans	-165	13.1	-167.1	0	0	0	0	0	120.1
1028	L	28.1	Very low	36.9	Very low	148 Å²	148	90.2 Å²	90.2	78%	0.775	62%	0.619	S	S	*	*			trans	-166.4	111.5	163.5	-111.4	166.8	0	0	0	111.4	S1030	L1028-S1030 VanDerWaalsContact C-N 3.28Å; L1028-S1030 PolarHBondContact O-N 3.22Å
1029	S	24.7	Very low	38.9	Very low	139 Å²	139	88.4 Å²	88.4	97%	0.972	59%	0.594	S	S	*	*	S	Bend	trans	-80.8	71.8	172.5	-55.2	0	0	0	0	110.5
1030	S	29.1	Very low	41.1	Very low	102 Å²	102	86.7 Å²	86.7	71%	0.713	58%	0.579	S	S	*	*			trans	-164.9	73.6	177.6	-178.7	0	0	0	0	110.6	L1028	L1028-S1030 VanDerWaalsContact C-N 3.28Å; L1028-S1030 PolarHBondContact O-N 3.22Å
1031	A	29.6	Very low	43.3	Very low	90 Å²	90	80.8 Å²	80.8	74%	0.744	54%	0.543	S	S	*	.			trans	-138.6	20.3	-170.3	0	0	0	0	0	115.2
1032	G	31.5	Very low	45.4	Very low	51 Å²	51	76 Å²	76	53%	0.526	51%	0.508	S	S	.	.			trans	-80.6	-13.4	-173.4	0	0	0	0	0	117.1	S925	S925-G1032 PolarHBondContact OG-O 3.32Å
1033	S	44	Very low	46.9	Very low	61 Å²	61	74.6 Å²	74.6	43%	0.427	49%	0.49	S	S	.	.	S	Bend	trans	-104.3	12.6	-161.6	50.8	0	0	0	0	116.3	E921	E921-S1033 WeakPolarHBondContact OE2-CA 3.4Å; E921-S1033 WeakPolarHBondContact OE2-CB 3.36Å
1034	H	55.1	Low	48.2	Very low	80 Å²	80	71.3 Å²	71.3	37%	0.37	47%	0.468	S	S	.	.	S	Bend	trans	-108.2	15	-168.1	-99.7	-40	0	0	0	116.8	F1003 K1038	F1003-H1034 AromaticContact CD1-NE2 3.71Å; F1003-H1034 AromaticContact CE1-NE2 3.29Å; F1003-H1034 VanDerWaalsContact CE1-NE2 3.29Å; F1003-H1034 WeakPolarHBondContact CE1-NE2 3.33Å; H1034-K1038 VanDerWaalsContact O-CD 3.24Å; H1034-K1038 WeakPolarHBondContact O-CD 3.33Å; H1034-K1038 WeakPolarHBondContact O-CE 3.48Å; H1034-K1038 PolarHBondContact O-NZ 3.35Å; H1034-K1038 VanDerWaalsContact O-NZ 3.13Å
1035	L	63	Low	48.9	Very low	30 Å²	30	67.8 Å²	67.8	16%	0.157	45%	0.447	C	S	.	.	S	Bend	trans	-99.5	-48.9	175.6	-73.9	137	0	0	0	112.4	L928 D929 T1037 K1038 L1039	L928-L1035 HydrophobicContact CD2-CB 3.75Å; D929-L1035 VanDerWaalsContact CG-CD1 3.48Å; D929-L1035 WeakPolarHBondContact OD1-CD1 3.05Å; D929-L1035 WeakPolarHBondContact OD1-CD2 3.35Å; D929-L1035 VanDerWaalsContact OD2-CD1 3.27Å; D929-L1035 WeakPolarHBondContact OD2-CD1 3.45Å; L1035-T1037 PolarHBondContact O-N 3.25Å; L1035-K1038 PolarHBondContact O-N 2.7Å; L1035-L1039 PolarHBondContact O-N 3.21Å
1036	W	74.9	Confident	49.4	Very low	0 Å²	0	67.6 Å²	67.6	0%	0	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-28.1	177.6	-55.3	103.2	0	0	0	114.4	F920 E921 L924 S925 L928 L971 V972 H975 R976	F920-W1036 HydrophobicContact CD1-CH2 4.45Å; F920-W1036 AromaticContact CE1-CH2 3.88Å; F920-W1036 HydrophobicContact CE1-CH2 3.88Å; F920-W1036 HydrophobicContact CE1-CZ2 4.48Å; F920-W1036 HydrophobicContact CE1-CZ3 4.06Å; E921-W1036 HydrophobicContact CG-CG 4.44Å; L924-W1036 HydrophobicContact CB-CH2 3.74Å; L924-W1036 HydrophobicContact CB-CZ2 3.8Å; S925-W1036 PolarHBondContact OG-NE1 2.89Å; L928-W1036 HydrophobicContact CB-CH2 4.45Å; L928-W1036 HydrophobicContact CB-CZ2 4.42Å; L928-W1036 HydrophobicContact CD1-CE3 4.43Å; L928-W1036 HydrophobicContact CD1-CH2 4.33Å; L928-W1036 HydrophobicContact CD1-CZ3 4.06Å; L928-W1036 HydrophobicContact CD2-CD2 3.6Å; L928-W1036 HydrophobicContact CD2-CE3 3.75Å; L928-W1036 HydrophobicContact CD2-CG 4.16Å; L928-W1036 HydrophobicContact CD2-CH2 4.09Å; L928-W1036 HydrophobicContact CD2-CZ2 3.94Å; L928-W1036 HydrophobicContact CD2-CZ3 3.99Å; L971-W1036 HydrophobicContact CB-CH2 4.48Å; L971-W1036 HydrophobicContact CB-CZ3 4.11Å; L971-W1036 WeakPolarHBondContact O-CZ3 3.24Å; V972-W1036 HydrophobicContact CG2-CE3 4.35Å; H975-W1036 HydrophobicContact CB-CD2 4.11Å; H975-W1036 HydrophobicContact CB-CE3 3.46Å; H975-W1036 VanDerWaalsContact CB-CE3 3.46Å; H975-W1036 HydrophobicContact CB-CZ3 3.88Å; H975-W1036 AromaticContact CD2-CD2 3.93Å; H975-W1036 AromaticContact CD2-CG 3.92Å; H975-W1036 AromaticContact CG-CD2 3.97Å; H975-W1036 AromaticContact CG-CE3 3.83Å; R976-W1036 PolarHBondContact NH2-O 2.86Å
1037	T	65.5	Low	49.6	Very low	52 Å²	52	72.6 Å²	72.6	32%	0.319	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-15.2	179.2	39	0	0	0	0	115.1	L1035	L1035-T1037 PolarHBondContact O-N 3.25Å
1038	K	64.9	Low	50.1	Low	148 Å²	148	74.3 Å²	74.3	64%	0.643	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-27.1	-178.1	-65.5	174.2	-174.4	154.3	0	113.9	H1034 L1035	H1034-K1038 VanDerWaalsContact O-CD 3.24Å; H1034-K1038 WeakPolarHBondContact O-CD 3.33Å; H1034-K1038 WeakPolarHBondContact O-CE 3.48Å; H1034-K1038 PolarHBondContact O-NZ 3.35Å; H1034-K1038 VanDerWaalsContact O-NZ 3.13Å; L1035-K1038 PolarHBondContact O-N 2.7Å
1039	L	67.2	Low	50.3	Low	28 Å²	28	72 Å²	72	15%	0.147	42%	0.417	C	S	.	.	S	Bend	trans	-82.9	157.1	-177.2	-62.1	168.6	0	0	0	111.6	L928 T968 V972 L1035 P1041	L928-L1039 HydrophobicContact CD1-CD1 3.86Å; L928-L1039 HydrophobicContact CD2-CD1 3.93Å; L928-L1039 HydrophobicContact CG-CD1 3.92Å; T968-L1039 HydrophobicContact CG2-CD1 3.87Å; T968-L1039 HydrophobicContact CG2-CD2 4.41Å; V972-L1039 HydrophobicContact CB-CB 4.4Å; V972-L1039 HydrophobicContact CG1-CB 4.1Å; V972-L1039 HydrophobicContact CG2-CB 3.55Å; V972-L1039 HydrophobicContact CG2-CD1 3.68Å; V972-L1039 HydrophobicContact CG2-CG 4.27Å; L1035-L1039 PolarHBondContact O-N 3.21Å; L1039-P1041 WeakPolarHBondContact O-CD 3.32Å
1040	T	69.8	Low	50.6	Low	84 Å²	84	68.3 Å²	68.3	52%	0.515	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-91.6	116.4	-174	49.8	0	0	0	0	112.5
1041	P	72.2	Confident	50.7	Low	18 Å²	18	67 Å²	67	12%	0.117	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-75.2	162.9	164.3	32.6	-36.4	0	0	0	111.4	V972 T973 R976 L1039 C1043 A1044	V972-P1041 HydrophobicContact CG1-CB 4.3Å; T973-P1041 WeakPolarHBondContact OG1-CA 3.05Å; T973-P1041 WeakPolarHBondContact OG1-CB 3.5Å; R976-P1041 HydrophobicContact CG-CB 4.26Å; R976-P1041 HydrophobicContact CG-CG 4.32Å; L1039-P1041 WeakPolarHBondContact O-CD 3.32Å; P1041-C1043 VanDerWaalsContact C-N 3.35Å; P1041-C1043 PolarHBondContact O-N 2.9Å; P1041-A1044 HydrophobicContact CG-CB 4.06Å; P1041-A1044 WeakPolarHBondContact O-CB 3.48Å; P1041-A1044 PolarHBondContact O-N 3.07Å
1042	Y	70.6	Confident	50.6	Low	11 Å²	11	64.5 Å²	64.5	4%	0.043	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-43.3	178.6	-77.3	-83.6	0	0	0	114.7	V812 E836 T840 C970 T973 A1044	V812-Y1042 HydrophobicContact CG1-CD2 3.94Å; V812-Y1042 HydrophobicContact CG1-CE2 4.05Å; V812-Y1042 HydrophobicContact CG1-CG 4.44Å; V812-Y1042 HydrophobicContact CG2-CD2 4.15Å; V812-Y1042 HydrophobicContact CG2-CE2 3.91Å; E836-Y1042 HydrophobicContact CB-CD1 3.75Å; E836-Y1042 HydrophobicContact CB-CE1 3.97Å; T840-Y1042 VanDerWaalsContact CG2-OH 3.28Å; T840-Y1042 WeakPolarHBondContact CG2-OH 3.44Å; T840-Y1042 PolarHBondContact OG1-OH 3.46Å; T840-Y1042 VanDerWaalsContact OG1-OH 3.09Å; C970-Y1042 PolarHBondContact SG-OH 2.93Å; C970-Y1042 VanDerWaalsContact SG-OH 3.38Å; T973-Y1042 HydrophobicContact CG2-CD2 4.27Å; T973-Y1042 WeakPolarHBondContact OG1-CD2 3.24Å; T973-Y1042 PolarHBondContact OG1-N 2.68Å; T973-Y1042 VanDerWaalsContact OG1-N 3.09Å; Y1042-A1044 PolarHBondContact O-N 3.33Å
1043	C	58.3	Low	50.5	Low	27 Å²	27	65.3 Å²	65.3	18%	0.182	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	4.3	178.9	-62.4	0	0	0	0	113.8	Y815 L826 P1041 K1045	Y815-C1043 HydrophobicContact CE1-CB 3.7Å; Y815-C1043 WeakPolarHBondContact CE1-SG 3.33Å; L826-C1043 HydrophobicContact CD1-CB 4.19Å; L826-C1043 HydrophobicContact CD2-CB 4.31Å; P1041-C1043 VanDerWaalsContact C-N 3.35Å; P1041-C1043 PolarHBondContact O-N 2.9Å; C1043-K1045 PolarHBondContact O-N 2.69Å; C1043-K1045 VanDerWaalsContact O-N 3.14Å
1044	A	56.3	Low	50.1	Low	34 Å²	34	66.8 Å²	66.8	28%	0.281	35%	0.345	S	S	.	.	S	Bend	trans	-72.8	106.2	165.4	0	0	0	0	0	108.9	P1041 Y1042 S1046	P1041-A1044 HydrophobicContact CG-CB 4.06Å; P1041-A1044 WeakPolarHBondContact O-CB 3.48Å; P1041-A1044 PolarHBondContact O-N 3.07Å; Y1042-A1044 PolarHBondContact O-N 3.33Å; A1044-S1046 PolarHBondContact O-N 3.28Å
1045	K	42.4	Very low	49.2	Very low	92 Å²	92	68.5 Å²	68.5	40%	0.4	36%	0.357	S	S	.	.			trans	-40.5	117.1	153.9	-73	171.3	-177.6	170	0	106.9	E825 D829 C1043 K1047	E825-K1045 IonicContact OE2-NZ 2.63Å; E825-K1045 PolarHBondContact OE2-NZ 2.94Å; D829-K1045 WeakPolarHBondContact OD2-CE 3.49Å; D829-K1045 IonicContact OD2-NZ 2.68Å; C1043-K1045 PolarHBondContact O-N 2.69Å; C1043-K1045 VanDerWaalsContact O-N 3.14Å; K1045-K1047 PolarHBondContact O-N 3.3Å
1046	S	39.4	Very low	47.9	Very low	54 Å²	54	75.3 Å²	75.3	38%	0.378	38%	0.381	S	S	.	.			trans	-64.7	88.8	171.1	59.9	0	0	0	0	107.1	R832 A1044 Q1048	R832-S1046 PolarHBondContact NH1-OG 2.93Å; R832-S1046 PolarHBondContact NH2-OG 3.3Å; R832-S1046 VanDerWaalsContact NH2-OG 3.15Å; A1044-S1046 PolarHBondContact O-N 3.28Å; S1046-Q1048 PolarHBondContact O-N 3.46Å
1047	K	31.5	Very low	46.5	Very low	196 Å²	196	81.9 Å²	81.9	85%	0.852	41%	0.409	S	S	*	.			trans	-60.3	83.4	155.4	-75.1	-172.3	178.5	-178.2	0	105	K1045 K1049	K1045-K1047 PolarHBondContact O-N 3.3Å; K1047-K1049 PolarHBondContact O-N 3.4Å
1048	Q	35.1	Very low	45.8	Very low	116 Å²	116	81.6 Å²	81.6	54%	0.542	41%	0.41	S	S	.	.			trans	-48	105.2	145.7	-74.1	-169.8	-40.5	0	0	104.5	S1046 S1050	S1046-Q1048 PolarHBondContact O-N 3.46Å; Q1048-S1050 PolarHBondContact O-N 3.44Å; Q1048-S1050 PolarHBondContact O-OG 2.87Å
1049	K	32.3	Very low	45.5	Very low	100 Å²	100	79.8 Å²	79.8	44%	0.435	40%	0.402	S	S	.	.			trans	-64.3	70.6	135.8	-85.5	-163	161.2	-148.7	0	106.7	K1047 H1051 D1728	K1047-K1049 PolarHBondContact O-N 3.4Å; K1049-H1051 WeakPolarHBondContact O-CB 3.35Å; K1049-D1728 IonicContact NZ-OD1 2.86Å; K1049-D1728 PolarHBondContact NZ-OD1 2.86Å; K1049-D1728 IonicContact NZ-OD2 3.51Å; K1049-D1728 PolarHBondContact NZ-OD2 3.04Å
1050	S	29	Very low	45.7	Very low	61 Å²	61	80.2 Å²	80.2	43%	0.427	40%	0.401	S	S	.	.				-59.8	119	117	52	0	0	0	0	106.2	Q1048 S1052	Q1048-S1050 PolarHBondContact O-N 3.44Å; Q1048-S1050 PolarHBondContact O-OG 2.87Å; S1050-S1052 VanDerWaalsContact CA-N 3.33Å
1051	H	31.3	Very low	46.1	Very low	74 Å²	74	78.1 Å²	78.1	34%	0.343	39%	0.39	S	S	.	.			cis	45.5	42	9.3	-54.8	-30.4	0	0	0	112.4	K1049 L1053 H1727 D1728 C1731 E1735	K1049-H1051 WeakPolarHBondContact O-CB 3.35Å; H1051-L1053 PolarHBondContact O-N 2.98Å; H1051-H1727 AromaticContact CE1-CE1 3.8Å; H1051-H1727 AromaticContact CE1-ND1 3.74Å; H1051-D1728 IonicContact CE1-OD1 3.51Å; H1051-D1728 PolarHBondContact CE1-OD1 3.06Å; H1051-D1728 VanDerWaalsContact CE1-OD1 3.31Å; H1051-C1731 PolarHBondContact ND1-SG 3.39Å; H1051-E1735 VanDerWaalsContact CA-OE1 3.23Å; H1051-E1735 WeakPolarHBondContact CA-OE1 3.28Å; H1051-E1735 PolarHBondContact N-OE1 3.47Å
1052	S	28.1	Very low	46.3	Very low	38 Å²	38	80 Å²	80	27%	0.266	40%	0.397	S	S	.	.			trans	-71.4	42.4	169.7	-169.9	0	0	0	0	110.2	S1050 L1054 E1735	S1050-S1052 VanDerWaalsContact CA-N 3.33Å; S1052-L1054 VanDerWaalsContact C-N 3.33Å; S1052-L1054 PolarHBondContact O-N 3.29Å; S1052-E1735 PolarHBondContact N-OE1 3.23Å
1053	L	30.2	Very low	46.6	Very low	67 Å²	67	83 Å²	83	35%	0.351	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	85.5	-175	-60.6	-156.3	0	0	0	109.1	H1051 C1731 T1734 E1735	H1051-L1053 PolarHBondContact O-N 2.98Å; L1053-C1731 HydrophobicContact CD1-CB 4.3Å; L1053-C1731 HydrophobicContact CD2-CB 4.37Å; L1053-C1731 WeakPolarHBondContact CD2-O 2.92Å; L1053-C1731 VanDerWaalsContact CD2-SG 3.52Å; L1053-T1734 WeakPolarHBondContact CD2-OG1 3.47Å; L1053-E1735 HydrophobicContact CD2-CG 3.65Å
1054	L	35.2	Very low	47.6	Very low	92 Å²	92	83.6 Å²	83.6	48%	0.482	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	70.3	179.3	-54.8	178.6	0	0	0	113.3	S1052 R1056 F1702 A1738	S1052-L1054 VanDerWaalsContact C-N 3.33Å; S1052-L1054 PolarHBondContact O-N 3.29Å; L1054-R1056 PolarHBondContact O-N 2.96Å; L1054-F1702 HydrophobicContact CD1-CD2 4.46Å; L1054-F1702 HydrophobicContact CD1-CE1 4.29Å; L1054-F1702 HydrophobicContact CD1-CE2 3.8Å; L1054-F1702 HydrophobicContact CD1-CZ 3.7Å; L1054-F1702 HydrophobicContact CD2-CE2 4.01Å; L1054-F1702 HydrophobicContact CG-CE2 4.21Å; L1054-F1702 HydrophobicContact CG-CZ 4.41Å; L1054-A1738 HydrophobicContact CD2-CB 4.49Å
1055	N	35.1	Very low	49	Very low	116 Å²	116	82.3 Å²	82.3	62%	0.62	41%	0.41	S	S	*	.			trans	-62.3	74.9	162.8	-171.9	-12.2	0	0	0	111.7	K1057	N1055-K1057 VanDerWaalsContact C-N 3.34Å; N1055-K1057 PolarHBondContact O-N 2.91Å; N1055-K1057 WeakPolarHBondContact OD1-CG 3.44Å; N1055-K1057 PolarHBondContact OD1-N 3.44Å
1056	R	37.7	Very low	51	Low	174 Å²	174	78.3 Å²	78.3	66%	0.657	39%	0.393	S	S	*	.			trans	-76.5	90.1	152.8	-79.4	-169	176	-157.8	-1.2	107.3	L1054 S1058	L1054-R1056 PolarHBondContact O-N 2.96Å; R1056-S1058 WeakPolarHBondContact O-CA 3.43Å; R1056-S1058 PolarHBondContact O-N 3.26Å
1057	K	44	Very low	53.3	Low	138 Å²	138	75.8 Å²	75.8	60%	0.6	38%	0.375	S	S	*	.			trans	-42	113	165.9	-67.1	-170.1	178	-171.1	0	108.3	N1055 K1059	N1055-K1057 VanDerWaalsContact C-N 3.34Å; N1055-K1057 PolarHBondContact O-N 2.91Å; N1055-K1057 WeakPolarHBondContact OD1-CG 3.44Å; N1055-K1057 PolarHBondContact OD1-N 3.44Å; K1057-K1059 VanDerWaalsContact C-N 3.35Å; K1057-K1059 PolarHBondContact O-N 3.42Å
1058	S	52	Low	55.8	Low	46 Å²	46	69.4 Å²	69.4	32%	0.322	35%	0.346	S	S	.	.			trans	-76.3	86.5	-159	67.6	0	0	0	0	110.9	R1056 W1060 E1069	R1056-S1058 WeakPolarHBondContact O-CA 3.43Å; R1056-S1058 PolarHBondContact O-N 3.26Å; S1058-W1060 VanDerWaalsContact C-N 3.33Å; S1058-W1060 PolarHBondContact O-N 2.79Å; S1058-E1069 PolarHBondContact OG-OE2 2.98Å
1059	K	58.4	Low	58.1	Low	109 Å²	109	66.7 Å²	66.7	47%	0.474	33%	0.333	S	S	.	.			trans	-61.9	95.5	178.6	-171.5	-174	173.8	109.9	0	109	K1057 S1066 F1067 Y1068	K1057-K1059 VanDerWaalsContact C-N 3.35Å; K1057-K1059 PolarHBondContact O-N 3.42Å; K1059-S1066 VanDerWaalsContact CE-OG 3.22Å; K1059-S1066 WeakPolarHBondContact CE-OG 3.05Å; K1059-S1066 PolarHBondContact NZ-OG 3.45Å; K1059-F1067 CarbonylContact C-O 3.56Å; K1059-F1067 VanDerWaalsContact CA-O 3.32Å; K1059-F1067 WeakPolarHBondContact CA-O 3.33Å; K1059-Y1068 HydrophobicContact CB-CD1 4.31Å; K1059-Y1068 HydrophobicContact CB-CE1 4.03Å; K1059-Y1068 HydrophobicContact CD-CE1 4.24Å; K1059-Y1068 HydrophobicContact CD-CE2 4.32Å; K1059-Y1068 WeakPolarHBondContact CD-OH 3.2Å; K1059-Y1068 HydrophobicContact CG-CD1 4.49Å; K1059-Y1068 HydrophobicContact CG-CE1 3.99Å; K1059-Y1068 HydrophobicContact CG-CE2 4.02Å; K1059-Y1068 PolarHBondContact NZ-OH 3.07Å
1060	W	70.4	Confident	60.3	Low	38 Å²	38	67.6 Å²	67.6	14%	0.144	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	150.7	178.5	173.9	65.9	0	0	0	108.5	S1058 H1062 F1067 F1093 I1102 K1107 I1110	S1058-W1060 VanDerWaalsContact C-N 3.33Å; S1058-W1060 PolarHBondContact O-N 2.79Å; W1060-H1062 HydrophobicContact CH2-CB 3.51Å; W1060-H1062 AromaticContact CH2-CG 3.95Å; W1060-H1062 HydrophobicContact CZ2-CB 3.22Å; W1060-H1062 AromaticContact CZ2-CG 3.62Å; W1060-H1062 AromaticContact CZ2-ND1 3.96Å; W1060-H1062 HydrophobicContact CZ3-CB 4.38Å; W1060-F1067 HydrophobicContact CB-CB 4.46Å; W1060-F1067 HydrophobicContact CD2-CB 4.49Å; W1060-F1067 HydrophobicContact CD2-CD2 4.43Å; W1060-F1067 HydrophobicContact CE3-CB 3.56Å; W1060-F1067 AromaticContact CE3-CD2 3.4Å; W1060-F1067 HydrophobicContact CE3-CD2 3.4Å; W1060-F1067 HydrophobicContact CE3-CE2 4.18Å; W1060-F1067 AromaticContact CE3-CG 3.62Å; W1060-F1067 HydrophobicContact CE3-CG 3.62Å; W1060-F1067 HydrophobicContact CH2-CD2 4.11Å; W1060-F1067 HydrophobicContact CH2-CE2 4.12Å; W1060-F1067 HydrophobicContact CZ3-CB 4.15Å; W1060-F1067 HydrophobicContact CZ3-CD1 4.39Å; W1060-F1067 AromaticContact CZ3-CD2 3.16Å; W1060-F1067 HydrophobicContact CZ3-CD2 3.16Å; W1060-F1067 AromaticContact CZ3-CE2 3.47Å; W1060-F1067 HydrophobicContact CZ3-CE2 3.47Å; W1060-F1067 VanDerWaalsContact CZ3-CE2 3.47Å; W1060-F1067 AromaticContact CZ3-CG 3.67Å; W1060-F1067 HydrophobicContact CZ3-CG 3.67Å; W1060-F1067 HydrophobicContact CZ3-CZ 4.22Å; W1060-F1067 PolarHBondContact N-O 3.13Å; W1060-F1067 WeakPolarHBondContact O-CA 3.4Å; W1060-F1067 WeakPolarHBondContact O-CB 3.44Å; W1060-F1067 PolarHBondContact O-N 2.92Å; W1060-F1067 VanDerWaalsContact O-O 3.13Å; W1060-F1093 HydrophobicContact CB-CE1 4.38Å; W1060-F1093 HydrophobicContact CE3-CD2 4.46Å; W1060-F1093 HydrophobicContact CE3-CG 4.35Å; W1060-I1102 HydrophobicContact CH2-CD1 4.28Å; W1060-I1102 HydrophobicContact CZ3-CD1 3.73Å; W1060-K1107 VanDerWaalsContact CD1-CE 3.45Å; W1060-K1107 HydrophobicContact CD2-CD 4.25Å; W1060-K1107 HydrophobicContact CD2-CG 3.9Å; W1060-K1107 VanDerWaalsContact CE2-CE 3.42Å; W1060-K1107 HydrophobicContact CE3-CG 3.91Å; W1060-K1107 HydrophobicContact CH2-CB 4.38Å; W1060-K1107 HydrophobicContact CH2-CG 3.56Å; W1060-K1107 WeakPolarHBondContact CH2-O 3.2Å; W1060-K1107 HydrophobicContact CZ2-CD 4.41Å; W1060-K1107 HydrophobicContact CZ2-CG 3.43Å; W1060-K1107 VanDerWaalsContact CZ2-CG 3.43Å; W1060-K1107 WeakPolarHBondContact CZ2-O 3.43Å; W1060-K1107 HydrophobicContact CZ3-CG 3.77Å; W1060-I1110 HydrophobicContact CH2-CD1 3.63Å; W1060-I1110 HydrophobicContact CZ3-CD1 3.96Å
1061	S	78.3	Confident	62.6	Low	40 Å²	40	67.1 Å²	67.1	28%	0.28	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	137.3	-176.7	171.4	0	0	0	0	109.7	H1065 R1582	S1061-H1065 WeakPolarHBondContact CA-O 3.34Å; S1061-H1065 WeakPolarHBondContact CB-O 3.39Å; S1061-H1065 PolarHBondContact OG-O 3.19Å; S1061-R1582 PolarHBondContact OG-NH2 3.13Å
1062	H	77.4	Confident	64.5	Low	58 Å²	58	64 Å²	64	27%	0.269	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	130.5	-170.1	-176.8	89.9	0	0	0	107.4	W1060 G1064 H1065	W1060-H1062 HydrophobicContact CH2-CB 3.51Å; W1060-H1062 AromaticContact CH2-CG 3.95Å; W1060-H1062 HydrophobicContact CZ2-CB 3.22Å; W1060-H1062 AromaticContact CZ2-CG 3.62Å; W1060-H1062 AromaticContact CZ2-ND1 3.96Å; W1060-H1062 HydrophobicContact CZ3-CB 4.38Å; H1062-G1064 VanDerWaalsContact C-N 3.33Å; H1062-G1064 PolarHBondContact O-N 2.93Å; H1062-H1065 PolarHBondContact N-O 3.14Å; H1062-H1065 WeakPolarHBondContact O-CB 3.38Å; H1062-H1065 PolarHBondContact O-CD2 3.45Å; H1062-H1065 PolarHBondContact O-N 3.38Å
1063	K	77.4	Confident	66.1	Low	72 Å²	72	68.7 Å²	68.7	31%	0.313	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	51.8	-177.9	-61.1	-179.4	176.7	178.9	0	113.5	H1065 I1110 R1111 D1112 H1113 C1114	K1063-H1065 PolarHBondContact O-CD2 3.43Å; K1063-H1065 VanDerWaalsContact O-CD2 3.24Å; K1063-H1065 PolarHBondContact O-N 3.04Å; K1063-I1110 PolarHBondContact NZ-O 3.08Å; K1063-R1111 WeakPolarHBondContact CD-O 3.21Å; K1063-R1111 PolarHBondContact NZ-O 2.88Å; K1063-D1112 WeakPolarHBondContact CB-O 3.29Å; K1063-D1112 WeakPolarHBondContact CD-O 3.16Å; K1063-H1113 HydrophobicContact CB-CB 4.5Å; K1063-H1113 CarbonylContact O-C 3.53Å; K1063-H1113 WeakPolarHBondContact O-CA 3.07Å; K1063-C1114 PolarHBondContact O-N 3.08Å
1064	G	77.6	Confident	67.6	Low	40 Å²	40	75.5 Å²	75.5	41%	0.412	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	-27.2	-177.6	0	0	0	0	0	115.6	H1062 C1114	H1062-G1064 VanDerWaalsContact C-N 3.33Å; H1062-G1064 PolarHBondContact O-N 2.93Å; G1064-C1114 VanDerWaalsContact C-CB 3.43Å
1065	H	85.8	Confident	69.2	Low	8 Å²	8	74.1 Å²	74.1	4%	0.037	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	147.9	-179.8	-61.9	-89	0	0	0	111.4	S1061 H1062 K1063 F1067 C1095 C1098 C1114	S1061-H1065 WeakPolarHBondContact CA-O 3.34Å; S1061-H1065 WeakPolarHBondContact CB-O 3.39Å; S1061-H1065 PolarHBondContact OG-O 3.19Å; H1062-H1065 PolarHBondContact N-O 3.14Å; H1062-H1065 WeakPolarHBondContact O-CB 3.38Å; H1062-H1065 PolarHBondContact O-CD2 3.45Å; H1062-H1065 PolarHBondContact O-N 3.38Å; K1063-H1065 PolarHBondContact O-CD2 3.43Å; K1063-H1065 VanDerWaalsContact O-CD2 3.24Å; K1063-H1065 PolarHBondContact O-N 3.04Å; H1065-F1067 HydrophobicContact CB-CD2 3.71Å; H1065-F1067 HydrophobicContact CB-CE2 3.21Å; H1065-F1067 HydrophobicContact CB-CZ 3.91Å; H1065-F1067 AromaticContact CG-CE2 3.86Å; H1065-C1095 HydrophobicContact CB-CB 4.43Å; H1065-C1098 VanDerWaalsContact CE1-SG 3.57Å; H1065-C1098 PolarHBondContact ND1-SG 3.41Å; H1065-C1114 HydrophobicContact CB-CB 4.2Å; H1065-C1114 VanDerWaalsContact N-CB 3.31Å; H1065-C1114 PolarHBondContact NE2-N 3.14Å
1066	S	85.3	Confident	71.1	Confident	8 Å²	8	69.3 Å²	69.3	6%	0.056	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	82.3	-175.9	166.6	0	0	0	0	110.3	K1059 Y1068 C1095 N1096 N1097	K1059-S1066 VanDerWaalsContact CE-OG 3.22Å; K1059-S1066 WeakPolarHBondContact CE-OG 3.05Å; K1059-S1066 PolarHBondContact NZ-OG 3.45Å; S1066-Y1068 WeakPolarHBondContact O-CD2 3.26Å; S1066-C1095 PolarHBondContact N-SG 2.69Å; S1066-N1096 PolarHBondContact O-N 3.28Å; S1066-N1097 WeakPolarHBondContact CB-OD1 3.38Å
1067	F	87	Confident	73.2	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	146.6	-173.1	-72.9	-79.7	0	0	0	114.9	K1059 W1060 H1065 F1093 N1094 C1095 L1100 I1102 I1110	K1059-F1067 CarbonylContact C-O 3.56Å; K1059-F1067 VanDerWaalsContact CA-O 3.32Å; K1059-F1067 WeakPolarHBondContact CA-O 3.33Å; W1060-F1067 HydrophobicContact CB-CB 4.46Å; W1060-F1067 HydrophobicContact CD2-CB 4.49Å; W1060-F1067 HydrophobicContact CD2-CD2 4.43Å; W1060-F1067 HydrophobicContact CE3-CB 3.56Å; W1060-F1067 AromaticContact CE3-CD2 3.4Å; W1060-F1067 HydrophobicContact CE3-CD2 3.4Å; W1060-F1067 HydrophobicContact CE3-CE2 4.18Å; W1060-F1067 AromaticContact CE3-CG 3.62Å; W1060-F1067 HydrophobicContact CE3-CG 3.62Å; W1060-F1067 HydrophobicContact CH2-CD2 4.11Å; W1060-F1067 HydrophobicContact CH2-CE2 4.12Å; W1060-F1067 HydrophobicContact CZ3-CB 4.15Å; W1060-F1067 HydrophobicContact CZ3-CD1 4.39Å; W1060-F1067 AromaticContact CZ3-CD2 3.16Å; W1060-F1067 HydrophobicContact CZ3-CD2 3.16Å; W1060-F1067 AromaticContact CZ3-CE2 3.47Å; W1060-F1067 HydrophobicContact CZ3-CE2 3.47Å; W1060-F1067 VanDerWaalsContact CZ3-CE2 3.47Å; W1060-F1067 AromaticContact CZ3-CG 3.67Å; W1060-F1067 HydrophobicContact CZ3-CG 3.67Å; W1060-F1067 HydrophobicContact CZ3-CZ 4.22Å; W1060-F1067 PolarHBondContact N-O 3.13Å; W1060-F1067 WeakPolarHBondContact O-CA 3.4Å; W1060-F1067 WeakPolarHBondContact O-CB 3.44Å; W1060-F1067 PolarHBondContact O-N 2.92Å; W1060-F1067 VanDerWaalsContact O-O 3.13Å; H1065-F1067 HydrophobicContact CB-CD2 3.71Å; H1065-F1067 HydrophobicContact CB-CE2 3.21Å; H1065-F1067 HydrophobicContact CB-CZ 3.91Å; H1065-F1067 AromaticContact CG-CE2 3.86Å; F1067-F1093 HydrophobicContact CB-CB 3.98Å; F1067-F1093 HydrophobicContact CB-CD1 4.16Å; F1067-F1093 HydrophobicContact CB-CG 4.34Å; F1067-F1093 HydrophobicContact CD1-CB 3.64Å; F1067-F1093 HydrophobicContact CE1-CB 4.43Å; F1067-F1093 HydrophobicContact CG-CB 4.08Å; F1067-N1094 CarbonylContact C-O 3.58Å; F1067-N1094 VanDerWaalsContact CA-O 3.25Å; F1067-N1094 WeakPolarHBondContact CA-O 3.4Å; F1067-C1095 HydrophobicContact CD1-CB 3.82Å; F1067-C1095 HydrophobicContact CE1-CB 3.68Å; F1067-C1095 HydrophobicContact CG-CB 4.33Å; F1067-C1095 HydrophobicContact CZ-CB 4.06Å; F1067-L1100 HydrophobicContact CE1-CB 4.44Å; F1067-L1100 HydrophobicContact CE1-CG 4.27Å; F1067-L1100 WeakPolarHBondContact CE1-O 3.15Å; F1067-L1100 HydrophobicContact CZ-CB 4.49Å; F1067-L1100 HydrophobicContact CZ-CD2 3.95Å; F1067-L1100 HydrophobicContact CZ-CG 4.14Å; F1067-I1102 HydrophobicContact CD1-CD1 4.36Å; F1067-I1102 HydrophobicContact CD1-CG1 4.49Å; F1067-I1102 HydrophobicContact CE1-CD1 3.85Å; F1067-I1102 HydrophobicContact CE1-CG1 4.04Å; F1067-I1102 HydrophobicContact CE2-CD1 4.43Å; F1067-I1102 HydrophobicContact CZ-CD1 3.9Å; F1067-I1110 HydrophobicContact CD2-CD1 4.4Å; F1067-I1110 HydrophobicContact CE2-CD1 3.27Å; F1067-I1110 HydrophobicContact CZ-CD1 3.39Å
1068	Y	83.5	Confident	75.3	Confident	63 Å²	63	58.3 Å²	58.3	25%	0.247	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.5	172.9	-64.8	-107.8	0	0	0	109.5	K1059 S1066 Y1070 F1093 N1094 N1096	K1059-Y1068 HydrophobicContact CB-CD1 4.31Å; K1059-Y1068 HydrophobicContact CB-CE1 4.03Å; K1059-Y1068 HydrophobicContact CD-CE1 4.24Å; K1059-Y1068 HydrophobicContact CD-CE2 4.32Å; K1059-Y1068 WeakPolarHBondContact CD-OH 3.2Å; K1059-Y1068 HydrophobicContact CG-CD1 4.49Å; K1059-Y1068 HydrophobicContact CG-CE1 3.99Å; K1059-Y1068 HydrophobicContact CG-CE2 4.02Å; K1059-Y1068 PolarHBondContact NZ-OH 3.07Å; S1066-Y1068 WeakPolarHBondContact O-CD2 3.26Å; Y1068-Y1070 PolarHBondContact O-N 3.19Å; Y1068-F1093 CarbonylContact O-C 3.41Å; Y1068-F1093 VanDerWaalsContact O-CA 3.29Å; Y1068-F1093 WeakPolarHBondContact O-CA 3.39Å; Y1068-N1094 PolarHBondContact N-O 2.64Å; Y1068-N1094 PolarHBondContact O-N 3.21Å; Y1068-N1096 HydrophobicContact CD2-CB 4.13Å; Y1068-N1096 VanDerWaalsContact CD2-CG 3.43Å; Y1068-N1096 WeakPolarHBondContact CD2-OD1 3.32Å; Y1068-N1096 HydrophobicContact CE2-CB 3.79Å; Y1068-N1096 WeakPolarHBondContact CE2-OD1 3.47Å
1069	E	85.3	Confident	76.7	Confident	58 Å²	58	58.5 Å²	58.5	27%	0.271	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	132.7	170.1	-98.8	171.6	91.9	0	0	111.2	S1058 S1090 G1092 F1093 L1104	S1058-E1069 PolarHBondContact OG-OE2 2.98Å; E1069-S1090 WeakPolarHBondContact OE1-CB 3.44Å; E1069-S1090 PolarHBondContact OE1-OG 3.09Å; E1069-G1092 WeakPolarHBondContact CA-O 3.31Å; E1069-F1093 HydrophobicContact CG-CD1 4.24Å; E1069-F1093 HydrophobicContact CG-CE1 3.75Å; E1069-F1093 HydrophobicContact CG-CZ 4.16Å; E1069-L1104 HydrophobicContact CG-CD1 4.28Å
1070	Y	76.6	Confident	77.9	Confident	120 Å²	120	55.7 Å²	55.7	47%	0.471	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	139.4	-174.5	-163.3	-96.9	0	0	0	111.1	Y1068 Y1072 S1090 Q1091 G1092 N1094	Y1068-Y1070 PolarHBondContact O-N 3.19Å; Y1070-Y1072 AromaticContact CD1-CD1 3.99Å; Y1070-Y1072 HydrophobicContact CD1-CD1 3.99Å; Y1070-Y1072 AromaticContact CD1-CD2 3.89Å; Y1070-Y1072 HydrophobicContact CD1-CD2 3.89Å; Y1070-Y1072 AromaticContact CD1-CE1 3.94Å; Y1070-Y1072 HydrophobicContact CD1-CE1 3.94Å; Y1070-Y1072 AromaticContact CD1-CE2 3.82Å; Y1070-Y1072 HydrophobicContact CD1-CE2 3.82Å; Y1070-Y1072 AromaticContact CD1-CG 3.98Å; Y1070-Y1072 HydrophobicContact CD1-CG 3.98Å; Y1070-Y1072 AromaticContact CD1-CZ 3.85Å; Y1070-Y1072 HydrophobicContact CE1-CD1 4.39Å; Y1070-Y1072 HydrophobicContact CG-CE2 4.29Å; Y1070-Y1072 VanDerWaalsContact O-CD2 3.32Å; Y1070-Y1072 WeakPolarHBondContact O-CD2 3.4Å; Y1070-Y1072 WeakPolarHBondContact O-CE2 3.39Å; Y1070-S1090 WeakPolarHBondContact O-CA 3.38Å; Y1070-Q1091 PolarHBondContact O-N 3.24Å; Y1070-G1092 PolarHBondContact N-O 3.48Å; Y1070-N1094 HydrophobicContact CG-CB 4.24Å
1071	T	77.2	Confident	78.5	Confident	51 Å²	51	55.8 Å²	55.8	31%	0.313	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	115.9	174.8	-61.4	0	0	0	0	107.7	E1073 G1087 S1089	T1071-E1073 PolarHBondContact O-N 3.19Å; T1071-G1087 VanDerWaalsContact CG2-O 3.27Å; T1071-G1087 WeakPolarHBondContact CG2-O 3.47Å; T1071-S1089 WeakPolarHBondContact CA-O 3.42Å
1072	Y	73.1	Confident	78.3	Confident	7 Å²	7	55.4 Å²	55.4	3%	0.027	29%	0.293	C	S	.	.			trans	-90.3	82.9	-169.9	-75.6	-94.9	0	0	0	111	Y1070 R1074 A1076 L1085 W1086 G1087 F1093 F1101	Y1070-Y1072 AromaticContact CD1-CD1 3.99Å; Y1070-Y1072 HydrophobicContact CD1-CD1 3.99Å; Y1070-Y1072 AromaticContact CD1-CD2 3.89Å; Y1070-Y1072 HydrophobicContact CD1-CD2 3.89Å; Y1070-Y1072 AromaticContact CD1-CE1 3.94Å; Y1070-Y1072 HydrophobicContact CD1-CE1 3.94Å; Y1070-Y1072 AromaticContact CD1-CE2 3.82Å; Y1070-Y1072 HydrophobicContact CD1-CE2 3.82Å; Y1070-Y1072 AromaticContact CD1-CG 3.98Å; Y1070-Y1072 HydrophobicContact CD1-CG 3.98Å; Y1070-Y1072 AromaticContact CD1-CZ 3.85Å; Y1070-Y1072 HydrophobicContact CE1-CD1 4.39Å; Y1070-Y1072 HydrophobicContact CG-CE2 4.29Å; Y1070-Y1072 VanDerWaalsContact O-CD2 3.32Å; Y1070-Y1072 WeakPolarHBondContact O-CD2 3.4Å; Y1070-Y1072 WeakPolarHBondContact O-CE2 3.39Å; Y1072-R1074 PolarHBondContact O-N 2.66Å; Y1072-R1074 VanDerWaalsContact O-N 3.08Å; Y1072-A1076 HydrophobicContact CD1-CB 3.7Å; Y1072-A1076 HydrophobicContact CE1-CB 3.82Å; Y1072-L1085 WeakPolarHBondContact CB-O 3.48Å; Y1072-L1085 HydrophobicContact CD1-CB 3.9Å; Y1072-L1085 HydrophobicContact CD2-CB 3.82Å; Y1072-L1085 HydrophobicContact CE1-CB 4.25Å; Y1072-L1085 HydrophobicContact CE1-CD1 4.18Å; Y1072-L1085 HydrophobicContact CE2-CB 4.19Å; Y1072-L1085 HydrophobicContact CE2-CD1 4.13Å; Y1072-L1085 HydrophobicContact CG-CB 3.66Å; Y1072-W1086 CarbonylContact O-C 3.59Å; Y1072-W1086 WeakPolarHBondContact O-CA 3.15Å; Y1072-G1087 PolarHBondContact N-O 3.09Å; Y1072-G1087 PolarHBondContact O-N 2.82Å; Y1072-F1093 PolarHBondContact OH-O 2.71Å; Y1072-F1101 HydrophobicContact CE1-CB 3.98Å; Y1072-F1101 AromaticContact CE1-CD1 3.77Å; Y1072-F1101 HydrophobicContact CE1-CD1 3.77Å; Y1072-F1101 HydrophobicContact CE1-CE1 4.41Å; Y1072-F1101 AromaticContact CE1-CG 3.85Å; Y1072-F1101 HydrophobicContact CE1-CG 3.85Å; Y1072-F1101 WeakPolarHBondContact OH-CB 3.23Å; Y1072-F1101 WeakPolarHBondContact OH-CD1 3.28Å
1073	E	59.9	Low	77.9	Confident	138 Å²	138	55.7 Å²	55.7	65%	0.645	29%	0.293	S	S	*	.	S	Bend	trans	-66.9	-3.7	175.8	-63.4	178.5	-175	0	0	113.8	T1071	T1071-E1073 PolarHBondContact O-N 3.19Å
1074	R	63.1	Low	77.8	Confident	209 Å²	209	53.1 Å²	53.1	79%	0.789	28%	0.283	S	S	*	.	S	Bend	trans	-135.7	151.9	170.3	-62.1	-177.8	-176	-178.9	-0.6	108.9	Y1072 A1076	Y1072-R1074 PolarHBondContact O-N 2.66Å; Y1072-R1074 VanDerWaalsContact O-N 3.08Å; R1074-A1076 PolarHBondContact O-N 3.21Å
1075	I	69	Low	77.7	Confident	63 Å²	63	51.2 Å²	51.2	32%	0.323	26%	0.263	S	S	.	.			trans	-60.7	128.6	176	-63.4	164.4	0	0	0	109.8	F838 T839 L1084 W1086	F838-I1075 HydrophobicContact CD1-CD1 4.22Å; F838-I1075 HydrophobicContact CE1-CD1 3.62Å; T839-I1075 HydrophobicContact CG2-CD1 4.29Å; T839-I1075 HydrophobicContact CG2-CG1 4.44Å; I1075-L1084 HydrophobicContact CG2-CD2 3.66Å; I1075-W1086 HydrophobicContact CG1-CB 4.07Å
1076	A	75.1	Confident	76.7	Confident	15 Å²	15	53.2 Å²	53.2	12%	0.124	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	139.7	168.7	0	0	0	0	0	109.8	Y1072 R1074 L1084 L1085 F1101	Y1072-A1076 HydrophobicContact CD1-CB 3.7Å; Y1072-A1076 HydrophobicContact CE1-CB 3.82Å; R1074-A1076 PolarHBondContact O-N 3.21Å; A1076-L1084 CarbonylContact O-C 3.56Å; A1076-L1085 HydrophobicContact CB-CB 4.45Å; A1076-L1085 PolarHBondContact N-O 2.8Å; A1076-L1085 WeakPolarHBondContact O-CB 3.27Å; A1076-L1085 PolarHBondContact O-N 3.11Å; A1076-F1101 HydrophobicContact CB-CB 4.48Å; A1076-F1101 HydrophobicContact CB-CD2 3.68Å; A1076-F1101 HydrophobicContact CB-CE2 4.15Å; A1076-F1101 HydrophobicContact CB-CG 4.19Å
1077	D	81.2	Confident	75.4	Confident	79 Å²	79	53 Å²	53	42%	0.422	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	144.6	173.2	-82	-48.9	0	0	0	111.3	K845 F1083	K845-D1077 IonicContact NZ-OD1 2.7Å; K845-D1077 PolarHBondContact NZ-OD1 2.95Å; K845-D1077 IonicContact NZ-OD2 2.73Å; K845-D1077 PolarHBondContact NZ-OD2 3Å; D1077-F1083 CarbonylContact C-O 3.25Å
1078	C	88.2	Confident	73.4	Confident	2 Å²	2	56 Å²	56	1%	0.014	29%	0.286	C	S	.	.			trans	-79.1	117.8	174.3	166.7	0	0	0	0	111	V1080 C1081 G1082 F1083 L1085 F1101 I1102 H1103	C1078-V1080 PolarHBondContact O-N 2.96Å; C1078-C1081 PolarHBondContact O-N 2.76Å; C1078-C1081 PolarHBondContact SG-SG 2.8Å; C1078-G1082 WeakPolarHBondContact O-CA 3.4Å; C1078-G1082 PolarHBondContact O-N 3.48Å; C1078-F1083 WeakPolarHBondContact CB-O 3.31Å; C1078-F1083 PolarHBondContact N-O 3.37Å; C1078-L1085 HydrophobicContact CB-CD1 4.24Å; C1078-F1101 CarbonylContact C-O 3.56Å; C1078-F1101 VanDerWaalsContact CA-O 3.3Å; C1078-F1101 WeakPolarHBondContact CA-O 3.31Å; C1078-I1102 WeakPolarHBondContact SG-CA 3.34Å; C1078-H1103 VanDerWaalsContact CB-CE1 3.42Å; C1078-H1103 WeakPolarHBondContact CB-CE1 3.38Å; C1078-H1103 VanDerWaalsContact CB-ND1 3.3Å; C1078-H1103 WeakPolarHBondContact CB-ND1 3.49Å
1079	G	80.2	Confident	72	Confident	50 Å²	50	55.4 Å²	55.4	52%	0.515	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	30	177.7	0	0	0	0	0	115.9	F1101	G1079-F1101 PolarHBondContact N-O 2.84Å
1080	V	84.3	Confident	71	Confident	50 Å²	50	54.7 Å²	54.7	30%	0.303	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134	-36.8	174.3	168.8	0	0	0	0	111.6	C1078 I1102 C1106 I1110	C1078-V1080 PolarHBondContact O-N 2.96Å; V1080-I1102 HydrophobicContact CB-CG2 4.34Å; V1080-I1102 HydrophobicContact CG2-CG2 3.7Å; V1080-C1106 HydrophobicContact CB-CB 4.13Å; V1080-C1106 HydrophobicContact CG1-CB 4.03Å; V1080-I1110 HydrophobicContact CG2-CB 4.41Å; V1080-I1110 HydrophobicContact CG2-CG1 3.83Å
1081	C	82.3	Confident	70.7	Confident	41 Å²	41	51.5 Å²	51.5	28%	0.277	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	-6.4	-178.9	65	0	0	0	0	114.3	C1078 F1083 C1106	C1078-C1081 PolarHBondContact O-N 2.76Å; C1078-C1081 PolarHBondContact SG-SG 2.8Å; C1081-F1083 HydrophobicContact CB-CD2 3.76Å; C1081-F1083 HydrophobicContact CB-CE2 3.89Å; C1081-F1083 HydrophobicContact CB-CG 4.35Å; C1081-F1083 PolarHBondContact O-N 3.27Å; C1081-F1083 WeakPolarHBondContact SG-CD2 3.27Å; C1081-F1083 PolarHBondContact SG-N 3.45Å; C1081-F1083 VanDerWaalsContact SG-N 3.41Å; C1081-C1106 PolarHBondContact SG-SG 3.02Å
1082	G	75.7	Confident	70.9	Confident	31 Å²	31	49.1 Å²	49.1	32%	0.32	27%	0.266	S	S	.	.			trans	67.9	11.9	-175.4	0	0	0	0	0	115.1	K845 C1078	K845-G1082 WeakPolarHBondContact CD-O 3.09Å; K845-G1082 WeakPolarHBondContact CE-O 3.38Å; K845-G1082 PolarHBondContact NZ-O 3.13Å; C1078-G1082 WeakPolarHBondContact O-CA 3.4Å; C1078-G1082 PolarHBondContact O-N 3.48Å
1083	F	68.9	Low	71.6	Confident	64 Å²	64	49 Å²	49	28%	0.281	27%	0.266	S	S	.	.			trans	-88.5	162.6	177.4	-55.7	-38.3	0	0	0	112.9	S957 D1077 C1078 C1081 H1103	S957-F1083 VanDerWaalsContact CB-CE1 3.45Å; S957-F1083 WeakPolarHBondContact O-CE1 3.1Å; S957-F1083 WeakPolarHBondContact O-CZ 3.3Å; D1077-F1083 CarbonylContact C-O 3.25Å; C1078-F1083 WeakPolarHBondContact CB-O 3.31Å; C1078-F1083 PolarHBondContact N-O 3.37Å; C1081-F1083 HydrophobicContact CB-CD2 3.76Å; C1081-F1083 HydrophobicContact CB-CE2 3.89Å; C1081-F1083 HydrophobicContact CB-CG 4.35Å; C1081-F1083 PolarHBondContact O-N 3.27Å; C1081-F1083 WeakPolarHBondContact SG-CD2 3.27Å; C1081-F1083 PolarHBondContact SG-N 3.45Å; C1081-F1083 VanDerWaalsContact SG-N 3.41Å; F1083-H1103 PolarHBondContact O-CE1 2.84Å; F1083-H1103 VanDerWaalsContact O-CE1 3.3Å
1084	L	74.8	Confident	72.9	Confident	18 Å²	18	43.3 Å²	43.3	9%	0.094	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	142.1	-172.8	-54.7	162.1	0	0	0	112.7	H843 K845 I1075 A1076 H1103	H843-L1084 HydrophobicContact CB-CD1 4.22Å; H843-L1084 VanDerWaalsContact CE1-CD2 3.45Å; H843-L1084 WeakPolarHBondContact CE1-CD2 3.36Å; H843-L1084 WeakPolarHBondContact NE2-CD2 3.49Å; K845-L1084 HydrophobicContact CB-CD1 4.09Å; K845-L1084 HydrophobicContact CB-CG 4.49Å; K845-L1084 HydrophobicContact CD-CG 4.41Å; I1075-L1084 HydrophobicContact CG2-CD2 3.66Å; A1076-L1084 CarbonylContact O-C 3.56Å; L1084-H1103 PolarHBondContact O-NE2 2.93Å
1085	L	75.7	Confident	74.3	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	112.7	168.4	-61.8	163.6	0	0	0	106.4	Y1072 A1076 C1078 Q1091 F1101 H1103	Y1072-L1085 WeakPolarHBondContact CB-O 3.48Å; Y1072-L1085 HydrophobicContact CD1-CB 3.9Å; Y1072-L1085 HydrophobicContact CD2-CB 3.82Å; Y1072-L1085 HydrophobicContact CE1-CB 4.25Å; Y1072-L1085 HydrophobicContact CE1-CD1 4.18Å; Y1072-L1085 HydrophobicContact CE2-CB 4.19Å; Y1072-L1085 HydrophobicContact CE2-CD1 4.13Å; Y1072-L1085 HydrophobicContact CG-CB 3.66Å; A1076-L1085 HydrophobicContact CB-CB 4.45Å; A1076-L1085 PolarHBondContact N-O 2.8Å; A1076-L1085 WeakPolarHBondContact O-CB 3.27Å; A1076-L1085 PolarHBondContact O-N 3.11Å; C1078-L1085 HydrophobicContact CB-CD1 4.24Å; L1085-Q1091 HydrophobicContact CD2-CB 4.49Å; L1085-F1101 HydrophobicContact CD1-CB 3.72Å; L1085-H1103 HydrophobicContact CD2-CB 4.27Å; L1085-H1103 WeakPolarHBondContact CD2-CD2 3.39Å; L1085-H1103 WeakPolarHBondContact CD2-NE2 3Å
1086	W	64	Low	75	Confident	51 Å²	51	34.8 Å²	34.8	19%	0.193	21%	0.211	C	C	.	.			trans	-162.7	133.5	-174.8	74.8	-86.3	0	0	0	110.6	L835 E836 T839 Y1072 I1075 Q1091	L835-W1086 HydrophobicContact CB-CE3 4.45Å; E836-W1086 HydrophobicContact CB-CH2 4.2Å; E836-W1086 HydrophobicContact CB-CZ3 4.2Å; E836-W1086 HydrophobicContact CG-CH2 3.82Å; E836-W1086 HydrophobicContact CG-CZ3 3.64Å; T839-W1086 HydrophobicContact CG2-CB 4.47Å; T839-W1086 HydrophobicContact CG2-CD2 3.49Å; T839-W1086 VanDerWaalsContact CG2-CD2 3.49Å; T839-W1086 HydrophobicContact CG2-CE3 3.85Å; T839-W1086 HydrophobicContact CG2-CG 3.71Å; T839-W1086 WeakPolarHBondContact OG1-CH2 2.98Å; T839-W1086 WeakPolarHBondContact OG1-CZ2 3.05Å; T839-W1086 WeakPolarHBondContact OG1-CZ3 3.2Å; Y1072-W1086 CarbonylContact O-C 3.59Å; Y1072-W1086 WeakPolarHBondContact O-CA 3.15Å; I1075-W1086 HydrophobicContact CG1-CB 4.07Å; W1086-Q1091 PolarHBondContact O-NE2 2.72Å; W1086-Q1091 PolarHBondContact O-OE1 2.91Å
1087	G	58.2	Low	75.3	Confident	4 Å²	4	36.7 Å²	36.7	4%	0.041	22%	0.219	C	C	.	.	S	Bend	trans	116	-176.9	173.6	0	0	0	0	0	115	T1071 Y1072 S1089	T1071-G1087 VanDerWaalsContact CG2-O 3.27Å; T1071-G1087 WeakPolarHBondContact CG2-O 3.47Å; Y1072-G1087 PolarHBondContact N-O 3.09Å; Y1072-G1087 PolarHBondContact O-N 2.82Å; G1087-S1089 PolarHBondContact O-N 3.32Å
1088	L	45.8	Very low	75.6	Confident	63 Å²	63	34.5 Å²	34.5	33%	0.33	21%	0.209	S	C	.	.	S	Bend	trans	-100	35.1	-150.9	-68.1	149.6	0	0	0	114.6	R832	R832-L1088 HydrophobicContact CB-CD1 3.54Å; R832-L1088 HydrophobicContact CG-CD1 3.4Å; R832-L1088 VanDerWaalsContact CG-CD1 3.4Å
1089	S	53.9	Low	75.3	Confident	50 Å²	50	38.7 Å²	38.7	35%	0.35	23%	0.232	S	C	.	.	S	Bend	trans	-144.9	169.4	168.7	56.4	0	0	0	0	110.2	T1071 G1087 Q1091	T1071-S1089 WeakPolarHBondContact CA-O 3.42Å; G1087-S1089 PolarHBondContact O-N 3.32Å; S1089-Q1091 PolarHBondContact O-N 2.76Å
1090	S	63.1	Low	75.6	Confident	43 Å²	43	38 Å²	38	30%	0.301	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	87.2	178.1	48.1	0	0	0	0	111.6	E1069 Y1070 L1104	E1069-S1090 WeakPolarHBondContact OE1-CB 3.44Å; E1069-S1090 PolarHBondContact OE1-OG 3.09Å; Y1070-S1090 WeakPolarHBondContact O-CA 3.38Å; S1090-L1104 WeakPolarHBondContact O-CD1 3.47Å
1091	Q	70.2	Confident	75.8	Confident	53 Å²	53	38.9 Å²	38.9	25%	0.248	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-20.9	-177.2	-67.4	170.1	-3.3	0	0	113.8	Y1070 L1085 W1086 S1089 L1104	Y1070-Q1091 PolarHBondContact O-N 3.24Å; L1085-Q1091 HydrophobicContact CD2-CB 4.49Å; W1086-Q1091 PolarHBondContact O-NE2 2.72Å; W1086-Q1091 PolarHBondContact O-OE1 2.91Å; S1089-Q1091 PolarHBondContact O-N 2.76Å; Q1091-L1104 VanDerWaalsContact O-CD1 3.3Å; Q1091-L1104 WeakPolarHBondContact O-CD1 3.12Å; Q1091-L1104 PolarHBondContact O-N 3.34Å
1092	G	83	Confident	76	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	172.9	-177.2	0	0	0	0	0	114.4	E1069 Y1070 I1102	E1069-G1092 WeakPolarHBondContact CA-O 3.31Å; Y1070-G1092 PolarHBondContact N-O 3.48Å; G1092-I1102 CarbonylContact C-O 3.53Å; G1092-I1102 WeakPolarHBondContact CA-O 3.5Å
1093	F	86.9	Confident	76.5	Confident	4 Å²	4	36.9 Å²	36.9	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.2	171.4	-74.7	-69.5	0	0	0	108.8	W1060 F1067 Y1068 E1069 Y1072 F1101 I1102 L1104 K1107	W1060-F1093 HydrophobicContact CB-CE1 4.38Å; W1060-F1093 HydrophobicContact CE3-CD2 4.46Å; W1060-F1093 HydrophobicContact CE3-CG 4.35Å; F1067-F1093 HydrophobicContact CB-CB 3.98Å; F1067-F1093 HydrophobicContact CB-CD1 4.16Å; F1067-F1093 HydrophobicContact CB-CG 4.34Å; F1067-F1093 HydrophobicContact CD1-CB 3.64Å; F1067-F1093 HydrophobicContact CE1-CB 4.43Å; F1067-F1093 HydrophobicContact CG-CB 4.08Å; Y1068-F1093 CarbonylContact O-C 3.41Å; Y1068-F1093 VanDerWaalsContact O-CA 3.29Å; Y1068-F1093 WeakPolarHBondContact O-CA 3.39Å; E1069-F1093 HydrophobicContact CG-CD1 4.24Å; E1069-F1093 HydrophobicContact CG-CE1 3.75Å; E1069-F1093 HydrophobicContact CG-CZ 4.16Å; Y1072-F1093 PolarHBondContact OH-O 2.71Å; F1093-F1101 WeakPolarHBondContact O-CA 3.35Å; F1093-I1102 HydrophobicContact CB-CD1 4.28Å; F1093-I1102 HydrophobicContact CB-CG1 3.78Å; F1093-I1102 PolarHBondContact N-O 3.47Å; F1093-I1102 PolarHBondContact O-N 3.13Å; F1093-L1104 HydrophobicContact CD2-CD1 4.4Å; F1093-L1104 HydrophobicContact CD2-CG 4.41Å; F1093-L1104 HydrophobicContact CE2-CB 4.29Å; F1093-L1104 HydrophobicContact CE2-CD1 4.18Å; F1093-L1104 HydrophobicContact CE2-CG 3.78Å; F1093-L1104 HydrophobicContact CZ-CG 4.17Å; F1093-K1107 HydrophobicContact CD2-CD 4.48Å; F1093-K1107 HydrophobicContact CD2-CG 4.5Å; F1093-K1107 HydrophobicContact CE2-CD 3.79Å; F1093-K1107 HydrophobicContact CE2-CG 4.28Å; F1093-K1107 HydrophobicContact CZ-CD 4.39Å
1094	N	88	Confident	77.2	Confident	19 Å²	19	37.4 Å²	37.4	10%	0.102	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	132.4	169.1	-177.3	11.1	0	0	0	110.3	F1067 Y1068 Y1070 D1099 F1101	F1067-N1094 CarbonylContact C-O 3.58Å; F1067-N1094 VanDerWaalsContact CA-O 3.25Å; F1067-N1094 WeakPolarHBondContact CA-O 3.4Å; Y1068-N1094 PolarHBondContact N-O 2.64Å; Y1068-N1094 PolarHBondContact O-N 3.21Å; Y1070-N1094 HydrophobicContact CG-CB 4.24Å; N1094-D1099 WeakPolarHBondContact OD1-CA 3.39Å; N1094-F1101 HydrophobicContact CB-CD1 4.1Å; N1094-F1101 HydrophobicContact CB-CE1 4.47Å; N1094-F1101 WeakPolarHBondContact OD1-CD1 3.32Å; N1094-F1101 WeakPolarHBondContact OD1-CE1 3.43Å
1095	C	91.3	Very high	77.4	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	108.3	175.3	-179	0	0	0	0	112.7	H1065 S1066 F1067 N1097 C1098 D1099 L1100	H1065-C1095 HydrophobicContact CB-CB 4.43Å; S1066-C1095 PolarHBondContact N-SG 2.69Å; F1067-C1095 HydrophobicContact CD1-CB 3.82Å; F1067-C1095 HydrophobicContact CE1-CB 3.68Å; F1067-C1095 HydrophobicContact CG-CB 4.33Å; F1067-C1095 HydrophobicContact CZ-CB 4.06Å; C1095-N1097 PolarHBondContact O-N 2.87Å; C1095-C1098 PolarHBondContact O-N 3.39Å; C1095-C1098 VanDerWaalsContact O-N 3.17Å; C1095-D1099 WeakPolarHBondContact O-CA 3.41Å; C1095-D1099 PolarHBondContact O-N 3.46Å; C1095-L1100 HydrophobicContact CB-CB 4.09Å; C1095-L1100 PolarHBondContact N-O 2.88Å
1096	N	83.9	Confident	77.9	Confident	94 Å²	94	44.8 Å²	44.8	50%	0.503	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-10.5	177.1	-83	43.2	0	0	0	116.1	S1066 Y1068	S1066-N1096 PolarHBondContact O-N 3.28Å; Y1068-N1096 HydrophobicContact CD2-CB 4.13Å; Y1068-N1096 VanDerWaalsContact CD2-CG 3.43Å; Y1068-N1096 WeakPolarHBondContact CD2-OD1 3.32Å; Y1068-N1096 HydrophobicContact CE2-CB 3.79Å; Y1068-N1096 WeakPolarHBondContact CE2-OD1 3.47Å
1097	N	82.7	Confident	78.8	Confident	54 Å²	54	44.7 Å²	44.7	29%	0.289	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-35.8	179.2	-67	19.4	0	0	0	112	S1066 C1095 C1114 R1116	S1066-N1097 WeakPolarHBondContact CB-OD1 3.38Å; C1095-N1097 PolarHBondContact O-N 2.87Å; N1097-C1114 WeakPolarHBondContact CB-SG 3.1Å; N1097-R1116 WeakPolarHBondContact O-CD 3.47Å; N1097-R1116 PolarHBondContact O-NH1 3.3Å
1098	C	85.7	Confident	79.8	Confident	33 Å²	33	51 Å²	51	22%	0.223	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-142.4	11	-166.7	74.6	0	0	0	0	114.2	H1065 C1095 L1100	H1065-C1098 VanDerWaalsContact CE1-SG 3.57Å; H1065-C1098 PolarHBondContact ND1-SG 3.41Å; C1095-C1098 PolarHBondContact O-N 3.39Å; C1095-C1098 VanDerWaalsContact O-N 3.17Å; C1098-L1100 PolarHBondContact O-N 2.94Å
1099	D	82	Confident	81.4	Confident	90 Å²	90	49.9 Å²	49.9	48%	0.481	27%	0.271	S	S	.	.			trans	52.8	25.9	177.6	-57.8	-64.6	0	0	0	115.4	N1094 C1095 F1101	N1094-D1099 WeakPolarHBondContact OD1-CA 3.39Å; C1095-D1099 WeakPolarHBondContact O-CA 3.41Å; C1095-D1099 PolarHBondContact O-N 3.46Å; D1099-F1101 HydrophobicContact CB-CE1 4.33Å; D1099-F1101 HydrophobicContact CB-CZ 4.38Å; D1099-F1101 VanDerWaalsContact O-CD1 3.3Å; D1099-F1101 WeakPolarHBondContact O-CD1 3.32Å; D1099-F1101 WeakPolarHBondContact O-CE1 3.27Å; D1099-F1101 WeakPolarHBondContact O-CZ 3.32Å; D1099-F1101 PolarHBondContact O-N 3.25Å
1100	L	87.4	Confident	82.8	Confident	37 Å²	37	47.7 Å²	47.7	19%	0.194	26%	0.255	C	S	.	.			trans	-68.3	122.6	170.8	175.4	57.2	0	0	0	109.8	F1067 C1095 C1098 I1102 I1110	F1067-L1100 HydrophobicContact CE1-CB 4.44Å; F1067-L1100 HydrophobicContact CE1-CG 4.27Å; F1067-L1100 WeakPolarHBondContact CE1-O 3.15Å; F1067-L1100 HydrophobicContact CZ-CB 4.49Å; F1067-L1100 HydrophobicContact CZ-CD2 3.95Å; F1067-L1100 HydrophobicContact CZ-CG 4.14Å; C1095-L1100 HydrophobicContact CB-CB 4.09Å; C1095-L1100 PolarHBondContact N-O 2.88Å; C1098-L1100 PolarHBondContact O-N 2.94Å; L1100-I1102 HydrophobicContact CD1-CG2 4.36Å; L1100-I1102 HydrophobicContact CG-CG2 4.29Å; L1100-I1110 HydrophobicContact CD2-CG2 4.41Å
1101	F	87.4	Confident	83.4	Confident	68 Å²	68	55.6 Å²	55.6	30%	0.298	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	136.5	177.7	-45	-50.7	0	0	0	111	Y1072 A1076 C1078 G1079 L1085 F1093 N1094 D1099	Y1072-F1101 HydrophobicContact CE1-CB 3.98Å; Y1072-F1101 AromaticContact CE1-CD1 3.77Å; Y1072-F1101 HydrophobicContact CE1-CD1 3.77Å; Y1072-F1101 HydrophobicContact CE1-CE1 4.41Å; Y1072-F1101 AromaticContact CE1-CG 3.85Å; Y1072-F1101 HydrophobicContact CE1-CG 3.85Å; Y1072-F1101 WeakPolarHBondContact OH-CB 3.23Å; Y1072-F1101 WeakPolarHBondContact OH-CD1 3.28Å; A1076-F1101 HydrophobicContact CB-CB 4.48Å; A1076-F1101 HydrophobicContact CB-CD2 3.68Å; A1076-F1101 HydrophobicContact CB-CE2 4.15Å; A1076-F1101 HydrophobicContact CB-CG 4.19Å; C1078-F1101 CarbonylContact C-O 3.56Å; C1078-F1101 VanDerWaalsContact CA-O 3.3Å; C1078-F1101 WeakPolarHBondContact CA-O 3.31Å; G1079-F1101 PolarHBondContact N-O 2.84Å; L1085-F1101 HydrophobicContact CD1-CB 3.72Å; F1093-F1101 WeakPolarHBondContact O-CA 3.35Å; N1094-F1101 HydrophobicContact CB-CD1 4.1Å; N1094-F1101 HydrophobicContact CB-CE1 4.47Å; N1094-F1101 WeakPolarHBondContact OD1-CD1 3.32Å; N1094-F1101 WeakPolarHBondContact OD1-CE1 3.43Å; D1099-F1101 HydrophobicContact CB-CE1 4.33Å; D1099-F1101 HydrophobicContact CB-CZ 4.38Å; D1099-F1101 VanDerWaalsContact O-CD1 3.3Å; D1099-F1101 WeakPolarHBondContact O-CD1 3.32Å; D1099-F1101 WeakPolarHBondContact O-CE1 3.27Å; D1099-F1101 WeakPolarHBondContact O-CZ 3.32Å; D1099-F1101 PolarHBondContact O-N 3.25Å
1102	I	87.7	Confident	83.7	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	157.9	174.6	66.8	-178.1	0	0	0	113.3	W1060 F1067 C1078 V1080 G1092 F1093 L1100 C1106 I1110	W1060-I1102 HydrophobicContact CH2-CD1 4.28Å; W1060-I1102 HydrophobicContact CZ3-CD1 3.73Å; F1067-I1102 HydrophobicContact CD1-CD1 4.36Å; F1067-I1102 HydrophobicContact CD1-CG1 4.49Å; F1067-I1102 HydrophobicContact CE1-CD1 3.85Å; F1067-I1102 HydrophobicContact CE1-CG1 4.04Å; F1067-I1102 HydrophobicContact CE2-CD1 4.43Å; F1067-I1102 HydrophobicContact CZ-CD1 3.9Å; C1078-I1102 WeakPolarHBondContact SG-CA 3.34Å; V1080-I1102 HydrophobicContact CB-CG2 4.34Å; V1080-I1102 HydrophobicContact CG2-CG2 3.7Å; G1092-I1102 CarbonylContact C-O 3.53Å; G1092-I1102 WeakPolarHBondContact CA-O 3.5Å; F1093-I1102 HydrophobicContact CB-CD1 4.28Å; F1093-I1102 HydrophobicContact CB-CG1 3.78Å; F1093-I1102 PolarHBondContact N-O 3.47Å; F1093-I1102 PolarHBondContact O-N 3.13Å; L1100-I1102 HydrophobicContact CD1-CG2 4.36Å; L1100-I1102 HydrophobicContact CG-CG2 4.29Å; I1102-C1106 HydrophobicContact CB-CB 4.43Å; I1102-I1110 HydrophobicContact CD1-CD1 3.86Å; I1102-I1110 HydrophobicContact CD1-CG1 4.18Å
1103	H	86.6	Confident	83.6	Confident	30 Å²	30	64.6 Å²	64.6	14%	0.139	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	159.3	170.5	-57.5	76.3	0	0	0	113.6	C1078 F1083 L1084 L1085 K1105 C1106 K1107	C1078-H1103 VanDerWaalsContact CB-CE1 3.42Å; C1078-H1103 WeakPolarHBondContact CB-CE1 3.38Å; C1078-H1103 VanDerWaalsContact CB-ND1 3.3Å; C1078-H1103 WeakPolarHBondContact CB-ND1 3.49Å; F1083-H1103 PolarHBondContact O-CE1 2.84Å; F1083-H1103 VanDerWaalsContact O-CE1 3.3Å; L1084-H1103 PolarHBondContact O-NE2 2.93Å; L1085-H1103 HydrophobicContact CD2-CB 4.27Å; L1085-H1103 WeakPolarHBondContact CD2-CD2 3.39Å; L1085-H1103 WeakPolarHBondContact CD2-NE2 3Å; H1103-K1105 PolarHBondContact O-N 3.29Å; H1103-C1106 HydrophobicContact CB-CB 4.08Å; H1103-C1106 PolarHBondContact O-N 3.01Å; H1103-C1106 VanDerWaalsContact O-N 3.1Å; H1103-K1107 PolarHBondContact O-N 2.69Å
1104	L	82.2	Confident	83.5	Confident	74 Å²	74	64.6 Å²	64.6	39%	0.387	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-36.5	166.1	-90.9	71	0	0	0	113.1	E1069 S1090 Q1091 F1093 K1107	E1069-L1104 HydrophobicContact CG-CD1 4.28Å; S1090-L1104 WeakPolarHBondContact O-CD1 3.47Å; Q1091-L1104 VanDerWaalsContact O-CD1 3.3Å; Q1091-L1104 WeakPolarHBondContact O-CD1 3.12Å; Q1091-L1104 PolarHBondContact O-N 3.34Å; F1093-L1104 HydrophobicContact CD2-CD1 4.4Å; F1093-L1104 HydrophobicContact CD2-CG 4.41Å; F1093-L1104 HydrophobicContact CE2-CB 4.29Å; F1093-L1104 HydrophobicContact CE2-CD1 4.18Å; F1093-L1104 HydrophobicContact CE2-CG 3.78Å; F1093-L1104 HydrophobicContact CZ-CG 4.17Å; L1104-K1107 WeakPolarHBondContact O-CB 2.87Å
1105	K	80.6	Confident	82.7	Confident	150 Å²	150	69.7 Å²	69.7	65%	0.652	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-41.2	175.3	-66.3	-175.2	178.2	-177.8	0	112	D961 H1103 K1107	D961-K1105 IonicContact OD2-NZ 3.59Å; D961-K1105 PolarHBondContact OD2-NZ 2.77Å; H1103-K1105 PolarHBondContact O-N 3.29Å; K1105-K1107 VanDerWaalsContact C-N 3.29Å; K1105-K1107 PolarHBondContact O-N 3.15Å
1106	C	86.4	Confident	81.3	Confident	23 Å²	23	77.6 Å²	77.6	16%	0.155	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-77.1	-11.6	-172.6	-59.4	0	0	0	0	114.7	V1080 C1081 I1102 H1103 N1108 G1109	V1080-C1106 HydrophobicContact CB-CB 4.13Å; V1080-C1106 HydrophobicContact CG1-CB 4.03Å; C1081-C1106 PolarHBondContact SG-SG 3.02Å; I1102-C1106 HydrophobicContact CB-CB 4.43Å; H1103-C1106 HydrophobicContact CB-CB 4.08Å; H1103-C1106 PolarHBondContact O-N 3.01Å; H1103-C1106 VanDerWaalsContact O-N 3.1Å; C1106-N1108 PolarHBondContact O-N 2.79Å; C1106-G1109 PolarHBondContact O-N 2.87Å
1107	K	81.9	Confident	79.4	Confident	50 Å²	50	81.2 Å²	81.2	22%	0.217	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-24.4	-48.6	166.8	-168.3	174.4	-160.9	147.5	0	116.4	W1060 F1093 H1103 L1104 K1105	W1060-K1107 VanDerWaalsContact CD1-CE 3.45Å; W1060-K1107 HydrophobicContact CD2-CD 4.25Å; W1060-K1107 HydrophobicContact CD2-CG 3.9Å; W1060-K1107 VanDerWaalsContact CE2-CE 3.42Å; W1060-K1107 HydrophobicContact CE3-CG 3.91Å; W1060-K1107 HydrophobicContact CH2-CB 4.38Å; W1060-K1107 HydrophobicContact CH2-CG 3.56Å; W1060-K1107 WeakPolarHBondContact CH2-O 3.2Å; W1060-K1107 HydrophobicContact CZ2-CD 4.41Å; W1060-K1107 HydrophobicContact CZ2-CG 3.43Å; W1060-K1107 VanDerWaalsContact CZ2-CG 3.43Å; W1060-K1107 WeakPolarHBondContact CZ2-O 3.43Å; W1060-K1107 HydrophobicContact CZ3-CG 3.77Å; F1093-K1107 HydrophobicContact CD2-CD 4.48Å; F1093-K1107 HydrophobicContact CD2-CG 4.5Å; F1093-K1107 HydrophobicContact CE2-CD 3.79Å; F1093-K1107 HydrophobicContact CE2-CG 4.28Å; F1093-K1107 HydrophobicContact CZ-CD 4.39Å; H1103-K1107 PolarHBondContact O-N 2.69Å; L1104-K1107 WeakPolarHBondContact O-CB 2.87Å; K1105-K1107 VanDerWaalsContact C-N 3.29Å; K1105-K1107 PolarHBondContact O-N 3.15Å
1108	N	79.2	Confident	77.3	Confident	137 Å²	137	82 Å²	82	73%	0.733	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-86.4	-5.3	-173.5	-63.4	-20.2	0	0	0	114.6	C1106	C1106-N1108 PolarHBondContact O-N 2.79Å
1109	G	80	Confident	75	Confident	38 Å²	38	92.2 Å²	92.2	39%	0.392	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-97.1	1.2	-171.7	0	0	0	0	0	116.2	C1106 R1111	C1106-G1109 PolarHBondContact O-N 2.87Å; G1109-R1111 PolarHBondContact O-N 3.42Å
1110	I	82.4	Confident	72.6	Confident	5 Å²	5	97.4 Å²	97.4	3%	0.026	47%	0.472	C	S	.	.			trans	-62.6	124.4	179.7	-51	174.1	0	0	0	109.7	W1060 K1063 F1067 V1080 L1100 I1102	W1060-I1110 HydrophobicContact CH2-CD1 3.63Å; W1060-I1110 HydrophobicContact CZ3-CD1 3.96Å; K1063-I1110 PolarHBondContact NZ-O 3.08Å; F1067-I1110 HydrophobicContact CD2-CD1 4.4Å; F1067-I1110 HydrophobicContact CE2-CD1 3.27Å; F1067-I1110 HydrophobicContact CZ-CD1 3.39Å; V1080-I1110 HydrophobicContact CG2-CB 4.41Å; V1080-I1110 HydrophobicContact CG2-CG1 3.83Å; L1100-I1110 HydrophobicContact CD2-CG2 4.41Å; I1102-I1110 HydrophobicContact CD1-CD1 3.86Å; I1102-I1110 HydrophobicContact CD1-CG1 4.18Å
1111	R	75.2	Confident	70	Confident	209 Å²	209	101 Å²	101	79%	0.789	50%	0.496	S	S	*	.			trans	-88.7	-40.5	177.7	-65.5	-171.3	179.7	-168.8	0.7	111.7	K1063 G1109	K1063-R1111 WeakPolarHBondContact CD-O 3.21Å; K1063-R1111 PolarHBondContact NZ-O 2.88Å; G1109-R1111 PolarHBondContact O-N 3.42Å
1112	D	77.6	Confident	67.3	Low	110 Å²	110	104.3 Å²	104.3	59%	0.588	52%	0.522	S	S	*	.	S	Bend	trans	-87.1	168.9	-166.5	-42.3	-67.3	0	0	0	113.4	K1063	K1063-D1112 WeakPolarHBondContact CB-O 3.29Å; K1063-D1112 WeakPolarHBondContact CD-O 3.16Å
1113	H	81.2	Confident	64.4	Low	131 Å²	131	107.4 Å²	107.4	61%	0.606	55%	0.554	S	S	*	*			trans	-103.5	149.7	171.8	-77.9	-124.6	0	0	0	110.2	K1063 S1115	K1063-H1113 HydrophobicContact CB-CB 4.5Å; K1063-H1113 CarbonylContact O-C 3.53Å; K1063-H1113 WeakPolarHBondContact O-CA 3.07Å; H1113-S1115 PolarHBondContact O-N 3.48Å; H1113-S1115 PolarHBondContact O-OG 2.78Å
1114	C	85	Confident	61.6	Low	5 Å²	5	112.8 Å²	112.8	3%	0.034	59%	0.588	C	S	.	*			trans	-68	103.7	-178.7	-177.1	0	0	0	0	111.4	K1063 G1064 H1065 N1097 R1116	K1063-C1114 PolarHBondContact O-N 3.08Å; G1064-C1114 VanDerWaalsContact C-CB 3.43Å; H1065-C1114 HydrophobicContact CB-CB 4.2Å; H1065-C1114 VanDerWaalsContact N-CB 3.31Å; H1065-C1114 PolarHBondContact NE2-N 3.14Å; N1097-C1114 WeakPolarHBondContact CB-SG 3.1Å; C1114-R1116 PolarHBondContact O-N 3.49Å
1115	S	70.1	Confident	59.1	Low	126 Å²	126	113.9 Å²	113.9	88%	0.881	61%	0.608	S	S	*	*	S	Bend	trans	-65.8	32.9	-178.2	-34.8	0	0	0	0	115.6	H1113	H1113-S1115 PolarHBondContact O-N 3.48Å; H1113-S1115 PolarHBondContact O-OG 2.78Å
1116	R	61.3	Low	56.4	Low	165 Å²	165	112.4 Å²	112.4	62%	0.623	62%	0.617	S	S	*	*			trans	-147.3	72.7	-175.2	-141.2	-178	-163	174.5	7.3	111.1	N1097 C1114	N1097-R1116 WeakPolarHBondContact O-CD 3.47Å; N1097-R1116 PolarHBondContact O-NH1 3.3Å; C1114-R1116 PolarHBondContact O-N 3.49Å
1117	E	44.2	Very low	53.6	Low	170 Å²	170	114.1 Å²	114.1	79%	0.794	63%	0.632	S	S	*	*			trans	-87.1	126	179.6	-148.3	76.3	-108.9	0	0	110.4
1118	G	39.8	Very low	51	Low	70 Å²	70	118 Å²	118	72%	0.722	66%	0.656	S	S	*	*			trans	51.2	117.2	158.5	0	0	0	0	0	122.2
1119	R	36.2	Very low	48.7	Very low	248 Å²	248	116.7 Å²	116.7	94%	0.936	65%	0.652	S	S	*	*			trans	-134.2	134.5	142.9	-87.7	-157.6	179.8	-157.2	2.3	114.4
1120	R	33.3	Very low	46	Very low	199 Å²	199	122.7 Å²	122.7	75%	0.751	68%	0.675	S	S	*	*			trans	-137.2	146.3	159.2	-79.3	-167.3	-176	-140.3	6.5	106.3	E1753	R1120-E1753 IonicContact CZ-OE1 3.16Å; R1120-E1753 IonicContact NH1-OE1 2.81Å; R1120-E1753 PolarHBondContact NH1-OE1 3.43Å; R1120-E1753 IonicContact NH2-OE1 2.68Å; R1120-E1753 PolarHBondContact NH2-OE1 3.44Å
1121	T	31.8	Very low	43.2	Very low	112 Å²	112	127.8 Å²	127.8	69%	0.687	71%	0.711	S	S	*	*			cis	-106.3	-126.3	-32.2	55.2	0	0	0	0	106.2
1122	T	30.7	Very low	40.9	Very low	139 Å²	139	121.2 Å²	121.2	85%	0.853	71%	0.707	S	S	*	*			cis	-82.1	-118.5	-22.5	44	0	0	0	0	109
1123	G	25.8	Very low	38.6	Very low	64 Å²	64	123.7 Å²	123.7	66%	0.66	72%	0.719	S	S	*	*			trans	-161.4	147.2	167.2	0	0	0	0	0	112.4
1124	V	29.4	Very low	35.9	Very low	143 Å²	143	126 Å²	126	87%	0.867	74%	0.735	S	S	*	*			trans	-165.8	136.9	143.8	139.8	0	0	0	0	108.1
1125	A	29.5	Very low	33	Very low	98 Å²	98	128.8 Å²	128.8	81%	0.81	77%	0.765	S	S	*	*			trans	45	140.9	161.4	0	0	0	0	0	122.9
1126	S	24.3	Very low	31.1	Very low	119 Å²	119	128.6 Å²	128.6	83%	0.832	76%	0.763	S	S	*	*			trans	-101.7	132.8	176.1	-45.4	0	0	0	0	113.4
1127	A	27.3	Very low	29.4	Very low	58 Å²	58	127.6 Å²	127.6	48%	0.479	77%	0.769	S	S	.	*			trans	-166.5	104	155.9	0	0	0	0	0	114.9	R1895	A1127-R1895 PolarHBondContact O-NH1 2.76Å; A1127-R1895 PolarHBondContact O-NH2 3.45Å
1128	N	27.1	Very low	28.6	Very low	133 Å²	133	125.1 Å²	125.1	71%	0.711	77%	0.768	S	S	*	*			trans	32	129.9	157.7	-46.7	-0.2	0	0	0	120.3	R1895	N1128-R1895 VanDerWaalsContact O-CZ 3.24Å; N1128-R1895 PolarHBondContact O-NH1 3.29Å; N1128-R1895 PolarHBondContact O-NH2 3.02Å
1129	V	30.6	Very low	27.9	Very low	108 Å²	108	128.2 Å²	128.2	66%	0.655	77%	0.768	S	S	*	*			trans	-135.1	130.6	137.8	177.4	0	0	0	0	108.7
1130	L	22.8	Very low	27.3	Very low	165 Å²	165	124.1 Å²	124.1	86%	0.864	76%	0.763	S	S	*	*			trans	-129.3	102.2	161.3	-130.6	179.6	0	0	0	104.1
1131	S	24.4	Very low	27	Very low	112 Å²	112	121 Å²	121	78%	0.783	77%	0.767	S	S	*	*			trans	172.7	146.2	172.1	-99.8	0	0	0	0	109.7
1132	G	25.9	Very low	26.8	Very low	70 Å²	70	123 Å²	123	72%	0.722	77%	0.771	S	S	*	*			trans	91.2	62	156.4	0	0	0	0	0	119.1
1133	I	29.2	Very low	26.6	Very low	162 Å²	162	120.1 Å²	120.1	83%	0.831	75%	0.75	S	S	*	*			trans	-128.4	84.8	131.1	-57.5	-176.4	0	0	0	107.1
1134	L	24.2	Very low	26.6	Very low	179 Å²	179	120.7 Å²	120.7	94%	0.937	74%	0.741	S	S	*	*			trans	-136.4	93	173.3	-144.9	173.6	0	0	0	105
1135	G	24.9	Very low	26.6	Very low	65 Å²	65	118.3 Å²	118.3	67%	0.67	72%	0.72	S	S	*	*			trans	151.3	81.3	-171.1	0	0	0	0	0	114.1
1136	S	30	Very low	26.8	Very low	121 Å²	121	118.8 Å²	118.8	85%	0.846	71%	0.712	S	S	*	*			trans	170.3	74.1	147	-78.5	0	0	0	0	109
1137	I	26.9	Very low	27.2	Very low	144 Å²	144	116.8 Å²	116.8	74%	0.738	70%	0.697	S	S	*	*			trans	-87.4	119.4	164.7	-62.2	170.3	0	0	0	106.2	N1139	I1137-N1139 WeakPolarHBondContact CG2-OD1 3.07Å; I1137-N1139 PolarHBondContact O-N 3.39Å; I1137-N1139 VanDerWaalsContact O-N 3.08Å
1138	P	26.5	Very low	27.1	Very low	119 Å²	119	117 Å²	117	77%	0.773	71%	0.705	S	S	*	*			trans	-72.2	98	162.7	29.5	-30.3	0	0	0	107.9	L1140	P1138-L1140 PolarHBondContact O-N 2.97Å
1139	N	24.9	Very low	27.4	Very low	134 Å²	134	119 Å²	119	72%	0.717	72%	0.715	S	S	*	*			trans	-65.8	117.4	174.3	-87	-10.5	0	0	0	109.7	I1137	I1137-N1139 WeakPolarHBondContact CG2-OD1 3.07Å; I1137-N1139 PolarHBondContact O-N 3.39Å; I1137-N1139 VanDerWaalsContact O-N 3.08Å
1140	L	24.1	Very low	27.6	Very low	162 Å²	162	118.2 Å²	118.2	85%	0.848	72%	0.72	S	S	*	*			trans	-134.4	78.9	162.6	-76.3	179	0	0	0	109.4	P1138	P1138-L1140 PolarHBondContact O-N 2.97Å
1141	T	27.7	Very low	28	Very low	134 Å²	134	115.2 Å²	115.2	82%	0.822	71%	0.71	S	S	*	*			trans	-106.2	127.1	147.1	47.5	0	0	0	0	106.7
1142	M	26.4	Very low	28.1	Very low	155 Å²	155	116.7 Å²	116.7	76%	0.764	71%	0.71	S	S	*	*			trans	-127.5	177	176.4	-105.1	-67.5	163.3	0	0	109.5
1143	D	26.3	Very low	28.4	Very low	77 Å²	77	121.1 Å²	121.1	41%	0.412	71%	0.711	S	S	.	*			trans	78.7	107.6	177.4	-53.9	-15.3	0	0	0	113.9	Q432	Q432-D1143 PolarHBondContact NE2-OD1 3.48Å
1144	T	26.6	Very low	28.5	Very low	77 Å²	77	118.5 Å²	118.5	47%	0.472	70%	0.703	S	S	.	*			cis	85.3	142.4	46.3	68	0	0	0	0	112.8
1145	H	28.2	Very low	28.9	Very low	93 Å²	93	115.3 Å²	115.3	43%	0.431	69%	0.687	S	S	.	*			cis	-146.5	148.8	23.9	-79.6	-86.1	0	0	0	109	E374	E374-H1145 WeakPolarHBondContact CG-O 3.26Å
1146	V	33.9	Very low	29.3	Very low	108 Å²	108	119.5 Å²	119.5	66%	0.655	69%	0.689	S	S	*	*				56	138.7	70.9	176	0	0	0	0	111.6
1147	P	33.5	Very low	29.2	Very low	77 Å²	77	118.5 Å²	118.5	50%	0.5	68%	0.682	S	S	.	*			cis	-128.2	-166.6	19.8	16.8	11.5	0	0	0	113.9	D372	D372-P1147 HydrophobicContact CB-CG 3.59Å; D372-P1147 WeakPolarHBondContact OD2-CG 3.43Å
1148	G	26.1	Very low	29.1	Very low	63 Å²	63	117 Å²	117	65%	0.649	68%	0.683	S	S	*	*			cis	159.8	167.9	-11.8	0	0	0	0	0	113.2
1149	N	32.6	Very low	29	Very low	173 Å²	173	118.2 Å²	118.2	93%	0.925	68%	0.683	S	S	*	*			trans	-179.9	101.4	156.7	-103	-16.4	0	0	0	108.9
1150	A	34.2	Very low	29	Very low	92 Å²	92	119.4 Å²	119.4	76%	0.76	68%	0.682	S	S	*	*			trans	-86.5	160.4	152.3	0	0	0	0	0	107.1
1151	P	30.7	Very low	29.5	Very low	102 Å²	102	118 Å²	118	66%	0.662	68%	0.68	S	S	*	*				-149.1	-174.2	68.7	41.6	-23.4	0	0	0	114.5
1152	N	27	Very low	29.7	Very low	144 Å²	144	116.7 Å²	116.7	77%	0.77	67%	0.674	S	S	*	*			trans	70.7	140.7	154.1	-64.8	-15	0	0	0	116
1153	Q	33	Very low	29.9	Very low	162 Å²	162	116.8 Å²	116.8	76%	0.757	68%	0.677	S	S	*	*			cis	-136.8	149.8	13.7	-69.9	-174.3	-13.3	0	0	111.7
1154	T	31.3	Very low	29.9	Very low	108 Å²	108	119.5 Å²	119.5	66%	0.663	69%	0.691	S	S	*	*				50.9	148.8	128.3	68	0	0	0	0	121.5
1155	N	33.1	Very low	30.1	Very low	112 Å²	112	120.1 Å²	120.1	60%	0.599	70%	0.699	S	S	*	*			cis	-154.7	164.3	-0.6	-117.9	8.6	0	0	0	113.4
1156	E	32.2	Very low	30.1	Very low	152 Å²	152	122 Å²	122	71%	0.71	71%	0.712	S	S	*	*			trans	30.4	131	141.7	-62.6	147.2	-173.4	0	0	120
1157	S	27.6	Very low	29.8	Very low	100 Å²	100	123.8 Å²	123.8	70%	0.699	71%	0.713	S	S	*	*			cis	80.8	107.9	31.1	90.6	0	0	0	0	117.2
1158	C	24.4	Very low	29.6	Very low	113 Å²	113	127.4 Å²	127.4	76%	0.764	73%	0.727	S	S	*	*			trans	69.1	93.9	144.9	-58.9	0	0	0	0	121.1
1159	N	25.1	Very low	29.7	Very low	144 Å²	144	127.5 Å²	127.5	77%	0.77	73%	0.728	S	S	*	*				71.5	116.6	116.5	-75.3	-28.6	0	0	0	123.4
1160	K	25.9	Very low	29.6	Very low	159 Å²	159	124.6 Å²	124.6	69%	0.691	72%	0.721	S	S	*	*			trans	94.4	131	133.4	-71.9	-172.8	173.3	-172.2	0	120.5	D1172	K1160-D1172 IonicContact NZ-OD2 2.65Å; K1160-D1172 PolarHBondContact NZ-OD2 3.25Å
1161	V	33.5	Very low	29.3	Very low	133 Å²	133	127.4 Å²	127.4	81%	0.806	72%	0.723	S	S	*	*			trans	-66.9	167.9	176.2	-145.4	0	0	0	0	111.4
1162	P	31.7	Very low	29.4	Very low	107 Å²	107	127.9 Å²	127.9	70%	0.695	72%	0.72	S	S	*	*				-152.7	-178.1	108.1	37.5	-19.3	0	0	0	116.7
1163	L	30.2	Very low	29.6	Very low	156 Å²	156	128.9 Å²	128.9	82%	0.817	72%	0.724	S	S	*	*			trans	79.2	132.4	167.9	-56.4	-179.4	0	0	0	116.1
1164	N	26.8	Very low	29.6	Very low	135 Å²	135	128.2 Å²	128.2	72%	0.722	72%	0.724	S	S	*	*			cis	-159.9	162.6	-15.8	-163.8	10	0	0	0	110.4
1165	S	30.8	Very low	29.6	Very low	90 Å²	90	130.4 Å²	130.4	63%	0.629	73%	0.727	S	S	*	*			trans	61.1	134	168.7	50.6	0	0	0	0	117.1
1166	N	28	Very low	29.3	Very low	133 Å²	133	132.7 Å²	132.7	71%	0.711	73%	0.734	S	S	*	*	S	Bend	cis	-149.1	145.9	-2	-86.6	-27.3	0	0	0	108.2
1167	Q	28.9	Very low	29	Very low	145 Å²	145	130.3 Å²	130.3	68%	0.678	73%	0.733	S	S	*	*			cis	-159.3	167	-9.8	-126.1	174.4	60.6	0	0	109.8
1168	I	27.9	Very low	29	Very low	153 Å²	153	130.2 Å²	130.2	79%	0.785	73%	0.731	S	S	*	*			trans	28.7	109.1	156.1	-54.6	158	0	0	0	117.3
1169	G	28.9	Very low	29.1	Very low	65 Å²	65	130.3 Å²	130.3	67%	0.67	73%	0.728	S	S	*	*			cis	155.2	159.2	-12.7	0	0	0	0	0	115.8
1170	S	30.6	Very low	29.2	Very low	111 Å²	111	129 Å²	129	78%	0.776	73%	0.726	S	S	*	*			trans	73.8	144.7	142.3	-54.4	0	0	0	0	121.6
1171	N	28.4	Very low	29.4	Very low	151 Å²	151	127.5 Å²	127.5	81%	0.807	72%	0.721	S	S	*	*			cis	-168.4	170.1	-23.5	-108.4	2.5	0	0	0	111.1
1172	D	32	Very low	29.1	Very low	113 Å²	113	129.4 Å²	129.4	60%	0.604	71%	0.714	S	S	*	*			trans	-65.8	165.3	-174.2	-42.7	-40.3	0	0	0	117.9	K1160	K1160-D1172 IonicContact NZ-OD2 2.65Å; K1160-D1172 PolarHBondContact NZ-OD2 3.25Å
1173	L	32.3	Very low	28.9	Very low	164 Å²	164	134.2 Å²	134.2	86%	0.859	72%	0.718	S	S	*	*			trans	-158.9	169.8	145.6	-140.2	77.8	0	0	0	114.7
1174	I	31.9	Very low	28.8	Very low	148 Å²	148	132 Å²	132	76%	0.759	71%	0.714	S	S	*	*			trans	-131.3	152.5	-173.1	-62.2	175.7	0	0	0	111.8
1175	H	31.4	Very low	29.1	Very low	155 Å²	155	128.8 Å²	128.8	72%	0.718	71%	0.713	S	S	*	*			trans	93.7	145	158.4	-123	-101.6	0	0	0	122.1
1176	H	27	Very low	29.3	Very low	160 Å²	160	129.1 Å²	129.1	74%	0.741	72%	0.715	S	S	*	*			trans	53.7	115.1	169.2	-80.7	-41.1	0	0	0	123.7
1177	C	26.4	Very low	29.4	Very low	102 Å²	102	129.1 Å²	129.1	69%	0.689	72%	0.715	S	S	*	*				29.8	130.4	117.2	-179.3	0	0	0	0	119.2
1178	C	26.3	Very low	29.8	Very low	97 Å²	97	127 Å²	127	66%	0.655	71%	0.712	S	S	*	*			cis	-164.1	168.1	14	-93.1	0	0	0	0	114.9
1179	T	27	Very low	29.9	Very low	116 Å²	116	129.3 Å²	129.3	71%	0.712	71%	0.711	S	S	*	*			trans	65.7	106	149.9	42.5	0	0	0	0	120.8
1180	T	27.8	Very low	30	Very low	117 Å²	117	133.8 Å²	133.8	72%	0.718	71%	0.714	S	S	*	*			trans	74	151.1	134.1	62.9	0	0	0	0	118.2
1181	H	29.4	Very low	30.1	Very low	126 Å²	126	137.5 Å²	137.5	58%	0.583	72%	0.716	S	S	*	*			cis	-156	163.6	18.8	-133.9	7.1	0	0	0	114.2
1182	R	27.1	Very low	30.1	Very low	174 Å²	174	139.5 Å²	139.5	66%	0.657	72%	0.721	S	S	*	*			trans	21.9	142.4	131	-74.7	176	-177.7	154.4	-7	118.3
1183	R	26.9	Very low	30.1	Very low	207 Å²	207	142.9 Å²	142.9	78%	0.781	73%	0.73	S	S	*	*			cis	-172.2	-177.6	44.4	-124.8	157.2	-172.8	165.8	0.8	107.8
1184	C	30.1	Very low	30	Very low	110 Å²	110	143.8 Å²	143.8	74%	0.743	73%	0.727	S	S	*	*			cis	-146.8	175.1	20.4	-119.4	0	0	0	0	109.2
1185	G	31.5	Very low	29.8	Very low	67 Å²	67	140.5 Å²	140.5	69%	0.691	72%	0.722	S	S	*	*			cis	169.4	178.9	5.8	0	0	0	0	0	107.1
1186	S	34.6	Very low	29.9	Very low	97 Å²	97	140.2 Å²	140.2	68%	0.678	73%	0.726	S	S	*	*			cis	-155.4	163.5	-12.6	-52	0	0	0	0	104.1
1187	D	32.1	Very low	30.1	Very low	134 Å²	134	138.3 Å²	138.3	72%	0.717	73%	0.726	S	S	*	*			cis	-177.5	174.9	36.4	-101.9	-42.5	0	0	0	106.7
1188	T	36.2	Very low	30	Very low	100 Å²	100	140.7 Å²	140.7	61%	0.613	73%	0.731	S	S	*	*			cis	-150.8	147.9	-11	15.6	0	0	0	0	109.8
1189	R	29.2	Very low	30.1	Very low	202 Å²	202	145.3 Å²	145.3	76%	0.762	74%	0.74	S	S	*	*				36.1	148.7	127.2	-56.7	176.8	-168.1	-176.3	1.2	120.2
1190	H	32.4	Very low	30.1	Very low	158 Å²	158	145.8 Å²	145.8	73%	0.731	74%	0.738	S	S	*	*			cis	-164	172.2	0.9	-107.8	-27.5	0	0	0	107.3
1191	K	31.4	Very low	29.9	Very low	189 Å²	189	149 Å²	149	82%	0.822	74%	0.742	S	S	*	*			cis	-165.3	138.5	38	-141.5	164.2	-170.1	173	0	110.1
1192	Q	30	Very low	29.8	Very low	194 Å²	194	151.2 Å²	151.2	91%	0.907	75%	0.753	S	S	*	*			trans	-141.7	145.4	163.6	-109.8	-170.8	-2.6	0	0	109.3
1193	K	30.6	Very low	30.2	Very low	183 Å²	183	150.8 Å²	150.8	80%	0.796	76%	0.762	S	S	*	*			trans	-162.8	154.7	173.2	-76.3	-167.9	177.9	179.9	0	107
1194	K	29.7	Very low	30.2	Very low	183 Å²	183	147.5 Å²	147.5	80%	0.796	76%	0.759	S	S	*	*			cis	-158.3	128.3	-18.7	-109.2	-170.1	173.2	-163	0	104.4
1195	A	29.4	Very low	30	Very low	79 Å²	79	147.8 Å²	147.8	65%	0.653	76%	0.76	S	S	*	*				76.1	123.7	85.8	0	0	0	0	0	115.1
1196	N	31.8	Very low	29.7	Very low	150 Å²	150	148.6 Å²	148.6	80%	0.802	76%	0.755	S	S	*	*			trans	180	125.2	132.4	-92.3	0.7	0	0	0	113.5
1197	T	31.8	Very low	29.2	Very low	120 Å²	120	151.8 Å²	151.8	74%	0.736	76%	0.757	S	S	*	*			trans	49.2	126.1	137.2	59.5	0	0	0	0	122.1
1198	L	24.9	Very low	28.8	Very low	152 Å²	152	152.9 Å²	152.9	80%	0.796	76%	0.762	S	S	*	*			cis	76.4	100	34.3	-80.2	167.4	0	0	0	117.9
1199	K	27.9	Very low	28.4	Very low	194 Å²	194	153.9 Å²	153.9	84%	0.843	76%	0.76	S	S	*	*				160	167.1	110.6	-95.2	179.6	178.1	-171.6	0	113.8
1200	D	26.6	Very low	28.1	Very low	126 Å²	126	155.2 Å²	155.2	67%	0.674	77%	0.765	S	S	*	*			trans	-133	178.5	-154.5	-54	-90.5	0	0	0	115
1201	F	25.2	Very low	27.9	Very low	183 Å²	183	154.7 Å²	154.7	80%	0.803	77%	0.767	S	S	*	*			trans	75.6	136.8	163.8	-55	-66.7	0	0	0	118.1
1202	H	27.3	Very low	27.9	Very low	174 Å²	174	151.6 Å²	151.6	81%	0.806	76%	0.76	S	S	*	*				-152.5	178.7	54.7	-105.4	-93	0	0	0	115.8
1203	L	34.3	Very low	28	Very low	164 Å²	164	149 Å²	149	86%	0.859	75%	0.752	S	S	*	*			trans	79.5	83.3	171.4	-58.1	-176.7	0	0	0	118.5
1204	L	26.4	Very low	28	Very low	138 Å²	138	144 Å²	144	72%	0.723	75%	0.745	S	S	*	*			trans	-75.6	161.4	145.3	-112.8	165.8	0	0	0	109.4
1205	P	26.6	Very low	28.2	Very low	116 Å²	116	143 Å²	143	75%	0.753	75%	0.748	S	S	*	*				-142	162	78	44.7	-29.8	0	0	0	112.2
1206	S	25.5	Very low	28.1	Very low	85 Å²	85	143.8 Å²	143.8	59%	0.594	75%	0.749	S	S	*	*	S	Bend	cis	-160.2	150.7	28.9	-71.6	0	0	0	0	108.5
1207	F	24.7	Very low	28	Very low	164 Å²	164	142.7 Å²	142.7	72%	0.719	75%	0.748	S	S	*	*			cis	-141.6	142	-10.8	-103.2	-73	0	0	0	107.7
1208	L	22.4	Very low	28	Very low	156 Å²	156	143.1 Å²	143.1	82%	0.817	75%	0.745	S	S	*	*			trans	-93.4	116.7	145	-84.3	172.7	0	0	0	107.1
1209	H	27.1	Very low	28.3	Very low	121 Å²	121	142.7 Å²	142.7	56%	0.56	74%	0.744	S	S	*	*			trans	-116.4	97.1	148.3	-99.7	-43.9	0	0	0	106.1
1210	R	24.1	Very low	28.5	Very low	231 Å²	231	138 Å²	138	87%	0.872	73%	0.733	S	S	*	*	S	Bend		-33.6	134.4	83.9	-150.5	172	-169	171.9	2.3	117.6
1211	N	28.5	Very low	28.4	Very low	147 Å²	147	139.8 Å²	139.8	79%	0.786	74%	0.737	S	S	*	*	S	Bend	trans	-47.4	135.7	-168	-57.9	0.2	0	0	0	115.8
1212	N	30.6	Very low	28.4	Very low	123 Å²	123	137.1 Å²	137.1	66%	0.658	73%	0.731	S	S	*	*			trans	32	110.1	144	-58.3	3.3	0	0	0	119.8
1213	N	32.5	Very low	28.2	Very low	139 Å²	139	134.7 Å²	134.7	74%	0.743	73%	0.728	S	S	*	*				62.8	100.8	128.3	-62.1	3.3	0	0	0	121.3
1214	A	31.3	Very low	27.8	Very low	80 Å²	80	133.3 Å²	133.3	66%	0.661	73%	0.726	S	S	*	*				88.9	132.5	107.1	0	0	0	0	0	121.3
1215	N	33	Very low	28	Very low	160 Å²	160	130.7 Å²	130.7	86%	0.856	73%	0.725	S	S	*	*			trans	71.9	159.7	154	-57	-9.2	0	0	0	119
1216	S	27.7	Very low	27.9	Very low	96 Å²	96	129.8 Å²	129.8	67%	0.671	72%	0.721	S	S	*	*			cis	171.5	123.9	-46.3	164.6	0	0	0	0	108.7
1217	V	30.4	Very low	28	Very low	128 Å²	128	132.3 Å²	132.3	78%	0.776	73%	0.727	S	S	*	*			trans	68.9	140.1	176.4	178.6	0	0	0	0	111.5
1218	D	30.3	Very low	28.1	Very low	128 Å²	128	130.7 Å²	130.7	68%	0.684	73%	0.726	S	S	*	*			cis	-145.5	156	25.9	-138.3	-30.7	0	0	0	114.5
1219	N	31.1	Very low	28.3	Very low	144 Å²	144	130.9 Å²	130.9	77%	0.77	72%	0.723	S	S	*	*			trans	32.5	169.8	153.4	-87	-56.3	0	0	0	125.4
1220	P	33.1	Very low	28.3	Very low	94 Å²	94	130.7 Å²	130.7	61%	0.61	73%	0.73	S	S	*	*			trans	-113.6	179.6	-163	44.4	-38.2	0	0	0	116
1221	H	23.8	Very low	28.6	Very low	165 Å²	165	126.5 Å²	126.5	76%	0.764	72%	0.724	S	S	*	*			trans	66.2	153.1	178.5	-82.2	-100.5	0	0	0	113.5
1222	D	25.2	Very low	28.6	Very low	127 Å²	127	126.3 Å²	126.3	68%	0.679	72%	0.723	S	S	*	*			cis	-120.6	-166.4	2.9	-100.7	-50.1	0	0	0	109.4
1223	V	23.8	Very low	28.4	Very low	122 Å²	122	125.4 Å²	125.4	74%	0.739	73%	0.726	S	S	*	*				37.8	127.2	63.8	165.2	0	0	0	0	113.7
1224	V	26.2	Very low	28.3	Very low	135 Å²	135	123.6 Å²	123.6	82%	0.818	72%	0.724	S	S	*	*			trans	76.5	128.3	175.6	176.4	0	0	0	0	119
1225	A	29.8	Very low	28	Very low	83 Å²	83	125.5 Å²	125.5	69%	0.686	73%	0.731	S	S	*	*			trans	59.9	100.7	152.7	0	0	0	0	0	123.1
1226	S	25.2	Very low	27.7	Very low	97 Å²	97	126 Å²	126	68%	0.678	73%	0.728	S	S	*	*				48.5	136.1	97	-153.3	0	0	0	0	122.8
1227	L	27.7	Very low	27.6	Very low	138 Å²	138	127.2 Å²	127.2	72%	0.723	73%	0.728	S	S	*	*			trans	102.1	107.7	137.5	-132.6	66.7	0	0	0	121.5
1228	D	26.7	Very low	27.5	Very low	130 Å²	130	125.9 Å²	125.9	70%	0.695	72%	0.724	S	S	*	*			trans	66.8	120.1	131.7	-58.6	-0.8	0	0	0	126.5
1229	E	26	Very low	27.4	Very low	161 Å²	161	125.8 Å²	125.8	75%	0.752	73%	0.733	S	S	*	*				75.5	104.5	124.1	-65.2	-156.9	140.7	0	0	126.3
1230	T	26.9	Very low	27.2	Very low	116 Å²	116	122.4 Å²	122.4	71%	0.712	73%	0.733	S	S	*	*				86.2	159	121.6	66.6	0	0	0	0	124.7
1231	I	30.1	Very low	26.9	Very low	144 Å²	144	125.9 Å²	125.9	74%	0.738	75%	0.745	S	S	*	*			trans	99.1	101.5	155.9	-52.6	-170.7	0	0	0	121.1
1232	N	28.6	Very low	27	Very low	143 Å²	143	124.1 Å²	124.1	77%	0.765	74%	0.741	S	S	*	*			trans	58.9	116.8	135.8	-60.4	-6.4	0	0	0	127
1233	S	27.2	Very low	27	Very low	104 Å²	104	125.7 Å²	125.7	73%	0.727	75%	0.745	S	S	*	*				70.2	111	121.2	74.5	0	0	0	0	126.1
1234	S	29.3	Very low	27.3	Very low	100 Å²	100	126.5 Å²	126.5	70%	0.699	75%	0.75	S	S	*	*				72.4	115.4	123.3	66.6	0	0	0	0	126.1
1235	C	25.7	Very low	27.5	Very low	120 Å²	120	125.3 Å²	125.3	81%	0.811	75%	0.747	S	S	*	*				68	126.5	127.7	-59.3	0	0	0	0	124.3
1236	Q	25.9	Very low	27.6	Very low	170 Å²	170	126.6 Å²	126.6	79%	0.794	75%	0.752	S	S	*	*				177.8	156.7	107.8	-97.5	-165.9	-94.5	0	0	117.1
1237	D	27.4	Very low	28.2	Very low	123 Å²	123	130.1 Å²	130.1	66%	0.658	76%	0.761	S	S	*	*			trans	70.5	90.8	143.7	-60	5.2	0	0	0	127.7
1238	S	28	Very low	28.5	Very low	100 Å²	100	128.7 Å²	128.7	70%	0.699	76%	0.763	S	S	*	*				47.7	124.3	112.8	61.9	0	0	0	0	128.5
1239	S	27	Very low	28.7	Very low	125 Å²	125	125.4 Å²	125.4	87%	0.874	76%	0.759	S	S	*	*				87.7	142.6	125.1	74.8	0	0	0	0	125.6
1240	G	27.2	Very low	29.1	Very low	74 Å²	74	124 Å²	124	76%	0.763	77%	0.767	S	S	*	*			trans	143.9	94.9	147.1	0	0	0	0	0	124.2
1241	L	27.9	Very low	29.2	Very low	167 Å²	167	122.2 Å²	122.2	87%	0.874	77%	0.772	S	S	*	*			trans	58.6	114.6	136	-56	174.6	0	0	0	127.8
1242	N	25.7	Very low	29.4	Very low	128 Å²	128	119.3 Å²	119.3	68%	0.684	78%	0.777	S	S	*	*				46.3	127.8	123.5	-63.9	39.9	0	0	0	128.9
1243	E	25.1	Very low	29.7	Very low	160 Å²	160	115.9 Å²	115.9	75%	0.748	78%	0.776	S	S	*	*				89.6	150.9	124.5	-75.3	176.8	-125.8	0	0	128.1
1244	T	29.1	Very low	30	Very low	139 Å²	139	118.4 Å²	118.4	85%	0.853	78%	0.781	S	S	*	*			trans	94.6	160.8	163.4	72	0	0	0	0	121.8
1245	S	31	Very low	30.1	Very low	109 Å²	109	119.3 Å²	119.3	76%	0.762	78%	0.782	S	S	*	*			trans	-167.2	-179.3	-152.2	64.6	0	0	0	0	118.2
1246	S	31	Very low	30.1	Very low	111 Å²	111	117.9 Å²	117.9	78%	0.776	77%	0.774	S	S	*	*			trans	105.8	146	145.2	80.3	0	0	0	0	123
1247	I	39.5	Very low	30.1	Very low	171 Å²	171	116.5 Å²	116.5	88%	0.877	77%	0.77	S	S	*	*			trans	-152	162	172	-56.1	-175.6	0	0	0	108.7
1248	S	32.9	Very low	30.1	Very low	108 Å²	108	117 Å²	117	76%	0.755	77%	0.773	S	S	*	*			trans	-86.3	-177.8	176.6	69.2	0	0	0	0	113.8
1249	G	31.7	Very low	29.9	Very low	60 Å²	60	121.4 Å²	121.4	62%	0.619	78%	0.78	S	S	*	*			cis	91	143.8	11.8	0	0	0	0	0	113.1
1250	S	33.5	Very low	30.2	Very low	132 Å²	132	120.9 Å²	120.9	92%	0.923	77%	0.774	S	S	*	*			cis	-161.7	-178.5	-0.9	-64.5	0	0	0	0	108.3
1251	G	30.5	Very low	30.1	Very low	78 Å²	78	122.2 Å²	122.2	80%	0.804	77%	0.772	S	S	*	*			cis	-138.2	-134.4	3.9	0	0	0	0	0	111.2
1252	G	34	Very low	30.5	Very low	83 Å²	83	120.6 Å²	120.6	86%	0.856	77%	0.771	S	S	*	*			cis	102.2	137.8	5.5	0	0	0	0	0	113.4
1253	G	34.5	Very low	30.6	Very low	71 Å²	71	118.2 Å²	118.2	73%	0.732	78%	0.777	S	S	*	*			cis	-96.5	-143.7	-1.6	0	0	0	0	0	114.5
1254	D	33.8	Very low	30.5	Very low	158 Å²	158	119 Å²	119	85%	0.845	79%	0.785	S	S	*	*	S	Bend	cis	-110.3	136.2	-2.1	-79.5	-12.5	0	0	0	110.5
1255	T	30.7	Very low	30.4	Very low	118 Å²	118	117.3 Å²	117.3	72%	0.724	78%	0.779	S	S	*	*	S	Bend	cis	-161.3	150.5	-11.7	36.8	0	0	0	0	106.9
1256	S	24.9	Very low	30.3	Very low	90 Å²	90	121.3 Å²	121.3	63%	0.629	78%	0.782	S	S	*	*			cis	-172.1	-179.5	-14.4	58.3	0	0	0	0	109
1257	I	26	Very low	30.2	Very low	141 Å²	141	126.5 Å²	126.5	72%	0.723	79%	0.785	S	S	*	*			trans	73.4	121.7	162.2	-61	162.3	0	0	0	117.2
1258	N	27.2	Very low	29.8	Very low	135 Å²	135	124.4 Å²	124.4	72%	0.722	78%	0.776	S	S	*	*			trans	83.5	105.9	160.8	-65	-13.3	0	0	0	123.1
1259	F	25.4	Very low	29.8	Very low	192 Å²	192	124.3 Å²	124.3	84%	0.842	78%	0.775	S	S	*	*				31.1	156	110.5	-72.5	-96	0	0	0	120.7
1260	P	33.4	Very low	30	Very low	114 Å²	114	128.7 Å²	128.7	74%	0.74	78%	0.783	S	S	*	*			cis	-149.8	-167	-30.3	38.9	-16.8	0	0	0	116.4
1261	S	24.5	Very low	29.9	Very low	102 Å²	102	127.5 Å²	127.5	71%	0.713	77%	0.774	S	S	*	*			trans	-75.7	-170.1	151.8	-28.2	0	0	0	0	111.4
1262	P	37.2	Very low	29.9	Very low	133 Å²	133	128.7 Å²	128.7	86%	0.864	77%	0.77	S	S	*	*			cis	-114.9	-155.4	-41.4	40.4	-25.4	0	0	0	109.1
1263	G	25.8	Very low	29.5	Very low	78 Å²	78	134 Å²	134	80%	0.804	78%	0.775	S	S	*	*			trans	155.9	134.1	155.8	0	0	0	0	0	117.9
1264	L	24.4	Very low	28.9	Very low	176 Å²	176	135.2 Å²	135.2	92%	0.921	77%	0.773	S	S	*	*			trans	-91.7	139.4	177.3	-76.5	153.7	0	0	0	112.7
1265	S	26.4	Very low	28.4	Very low	104 Å²	104	135 Å²	135	73%	0.727	78%	0.777	S	S	*	*			trans	78.3	128.4	139.9	-150.2	0	0	0	0	121.8
1266	K	29.9	Very low	28.2	Very low	192 Å²	192	132.3 Å²	132.3	84%	0.835	77%	0.772	S	S	*	*			trans	82.1	110.1	155.2	-72.5	171.5	-179.9	178.8	0	122
1267	R	29.1	Very low	28.3	Very low	220 Å²	220	133.3 Å²	133.3	83%	0.83	78%	0.779	S	S	*	*			trans	71.7	114.5	136.2	-75.1	-166	163	146.4	-0.3	122.4
1268	D	31.1	Very low	28.6	Very low	127 Å²	127	133.2 Å²	133.2	68%	0.679	79%	0.785	S	S	*	*				76	96.6	122	-47.9	-15.4	0	0	0	121.8
1269	S	32.7	Very low	28.7	Very low	106 Å²	106	131.6 Å²	131.6	74%	0.741	78%	0.784	S	S	*	*				94.2	107.9	122.7	-62	0	0	0	0	124.4
1270	I	35.1	Very low	29	Very low	153 Å²	153	130.7 Å²	130.7	79%	0.785	78%	0.782	S	S	*	*				83.2	97	128.8	-56.5	171.5	0	0	0	121.2
1271	S	30.7	Very low	28.7	Very low	106 Å²	106	131.3 Å²	131.3	74%	0.741	78%	0.784	S	S	*	*			trans	41.9	146.8	131.3	83.2	0	0	0	0	125.4
1272	S	30.4	Very low	29.1	Very low	103 Å²	103	131.7 Å²	131.7	72%	0.72	78%	0.784	S	S	*	*				170.8	171.5	110.9	56	0	0	0	0	112.4	S1274	S1272-S1274 PolarHBondContact O-N 3.17Å
1273	M	25.7	Very low	28.7	Very low	194 Å²	194	131.3 Å²	131.3	96%	0.956	78%	0.779	S	S	*	*	S	Bend	trans	-83.6	85	165.6	-106	-158.6	77.5	0	0	110.5
1274	S	21.9	Very low	28.6	Very low	98 Å²	98	134.3 Å²	134.3	69%	0.685	78%	0.776	S	S	*	*	S	Bend	trans	-164.2	104.5	156.1	-84.3	0	0	0	0	111.5	S1272	S1272-S1274 PolarHBondContact O-N 3.17Å
1275	V	24.1	Very low	28.8	Very low	154 Å²	154	131 Å²	131	93%	0.933	77%	0.768	S	S	*	*			trans	67.1	145.4	166.6	-159.9	0	0	0	0	116.5
1276	G	26.7	Very low	28.8	Very low	60 Å²	60	136.2 Å²	136.2	62%	0.619	77%	0.773	S	S	*	*			trans	95	118.4	169	0	0	0	0	0	113.6
1277	S	27.6	Very low	28.5	Very low	112 Å²	112	133.6 Å²	133.6	78%	0.783	77%	0.767	S	S	*	*			cis	63.8	128.8	15.1	-45.9	0	0	0	0	116.3
1278	T	31.5	Very low	28.4	Very low	139 Å²	139	131.9 Å²	131.9	85%	0.853	77%	0.769	S	S	*	*			trans	82.3	156.4	157.7	-44.2	0	0	0	0	117.5
1279	C	28.3	Very low	28.1	Very low	101 Å²	101	131.1 Å²	131.1	68%	0.682	77%	0.774	S	S	*	*			trans	-85.9	179.6	-166	-42.8	0	0	0	0	114.2
1280	Q	32.6	Very low	28	Very low	173 Å²	173	129.7 Å²	129.7	81%	0.808	78%	0.775	S	S	*	*			trans	76.1	107	151.1	-70.3	164.1	-4.3	0	0	119.2
1281	T	26.5	Very low	27.7	Very low	126 Å²	126	130.5 Å²	130.5	77%	0.773	78%	0.779	S	S	*	*				35.9	155.9	117.8	59	0	0	0	0	121.8
1282	P	32.8	Very low	27.5	Very low	110 Å²	110	128.6 Å²	128.6	71%	0.714	78%	0.777	S	S	*	*			cis	-144.3	-160	-18.6	30.9	-5.1	0	0	0	115
1283	V	28.8	Very low	27.3	Very low	125 Å²	125	132.1 Å²	132.1	76%	0.758	78%	0.782	S	S	*	*			trans	92.1	144.2	154.4	-153.2	0	0	0	0	120.2
1284	D	25	Very low	27.3	Very low	141 Å²	141	127.6 Å²	127.6	75%	0.754	77%	0.765	S	S	*	*			trans	-57.8	167.9	-172.3	-45.8	-73.2	0	0	0	118.9
1285	S	27.2	Very low	27.4	Very low	106 Å²	106	128.3 Å²	128.3	74%	0.741	76%	0.762	S	S	*	*				146.2	130.8	111.3	61.4	0	0	0	0	118.4
1286	Y	27.5	Very low	27.6	Very low	214 Å²	214	128.8 Å²	128.8	84%	0.839	75%	0.751	S	S	*	*			trans	62.5	125.5	139.7	-80.3	-111.8	0	0	0	125.3
1287	L	24.2	Very low	27.5	Very low	137 Å²	137	132.9 Å²	132.9	72%	0.717	76%	0.757	S	S	*	*			trans	29.2	108.4	132.5	-79.9	162.8	0	0	0	122
1288	Q	25	Very low	27.4	Very low	184 Å²	184	135.2 Å²	135.2	86%	0.86	75%	0.753	S	S	*	*				10.6	111.9	123.5	-173.8	175.1	9.4	0	0	118.9
1289	S	25.3	Very low	27.4	Very low	112 Å²	112	133.9 Å²	133.9	78%	0.783	75%	0.75	S	S	*	*			trans	-163	156.4	142.2	53.2	0	0	0	0	110.7
1290	G	31.6	Very low	27.2	Very low	75 Å²	75	135.4 Å²	135.4	77%	0.773	75%	0.751	S	S	*	*			trans	-129.7	142	174.6	0	0	0	0	0	111
1291	I	27.4	Very low	27	Very low	170 Å²	170	130.2 Å²	130.2	87%	0.872	74%	0.744	S	S	*	*			trans	-155.4	158.6	-173.8	-97.4	155	0	0	0	109.1
1292	G	28.4	Very low	27	Very low	67 Å²	67	132.2 Å²	132.2	69%	0.691	74%	0.744	S	S	*	*			trans	65	68.8	158.6	0	0	0	0	0	115.3
1293	Q	25.6	Very low	26.4	Very low	177 Å²	177	134 Å²	134	83%	0.827	74%	0.743	S	S	*	*				61.5	129.2	59.2	-111.7	-169.2	10.9	0	0	115.4
1294	T	25.2	Very low	26.4	Very low	99 Å²	99	136.7 Å²	136.7	61%	0.607	75%	0.745	S	S	*	*			trans	69.9	114.4	149.4	51.6	0	0	0	0	121.3
1295	D	24.5	Very low	26.4	Very low	113 Å²	113	132.9 Å²	132.9	60%	0.604	74%	0.739	S	S	*	*				80.8	146.6	118.8	-64.7	-12.8	0	0	0	120.1
1296	K	27	Very low	26.4	Very low	164 Å²	164	135 Å²	135	71%	0.713	74%	0.74	S	S	*	*			cis	-163.2	-167.5	-6.6	-110.9	160.4	-171.1	145.5	0	106.4
1297	I	25.6	Very low	26.4	Very low	145 Å²	145	133.6 Å²	133.6	74%	0.744	74%	0.744	S	S	*	*			trans	77.7	132.3	156.2	-52.9	-167.7	0	0	0	115.3
1298	K	25.5	Very low	26.7	Very low	161 Å²	161	130 Å²	130	70%	0.7	74%	0.74	S	S	*	*			cis	-163.6	129	-18.6	-106.7	179.1	-158.5	168.3	0	108
1299	S	31.2	Very low	27	Very low	112 Å²	112	128.5 Å²	128.5	78%	0.783	74%	0.738	S	S	*	*			trans	-174.4	111.2	133.8	51.9	0	0	0	0	106.1
1300	N	25	Very low	27.3	Very low	133 Å²	133	129.1 Å²	129.1	71%	0.711	73%	0.733	S	S	*	*				56.1	121.6	59.7	-54.9	29.9	0	0	0	110.4
1301	G	27.6	Very low	27.2	Very low	63 Å²	63	129.8 Å²	129.8	65%	0.649	73%	0.725	S	S	*	*			cis	166.6	-161.1	0.6	0	0	0	0	0	110.4
1302	E	26.2	Very low	27.2	Very low	169 Å²	169	128.9 Å²	128.9	79%	0.79	72%	0.721	S	S	*	*			trans	64.3	126.1	170.5	-72.7	132.7	-126.2	0	0	115
1303	E	21.5	Very low	27.2	Very low	147 Å²	147	134.4 Å²	134.4	69%	0.687	73%	0.727	S	S	*	*				83.2	143.5	53	-165.8	176.5	-141	0	0	111.5
1304	F	27.9	Very low	27.6	Very low	181 Å²	181	134 Å²	134	79%	0.794	73%	0.728	S	S	*	*			trans	64.1	146.3	-166.2	-45.2	-82.8	0	0	0	113.3
1305	G	25.5	Very low	27.8	Very low	61 Å²	61	133.4 Å²	133.4	63%	0.629	73%	0.733	S	S	*	*			cis	124.2	137.8	-0.4	0	0	0	0	0	111.5
1306	I	26.4	Very low	28.4	Very low	150 Å²	150	133 Å²	133	77%	0.769	74%	0.737	S	S	*	*			trans	74.9	106.7	170.5	-50.1	169.5	0	0	0	115.6
1307	M	27.4	Very low	28.5	Very low	185 Å²	185	132 Å²	132	91%	0.911	74%	0.739	S	S	*	*			trans	65	157.6	160	-60.4	161.2	70	0	0	116.6
1308	G	30.9	Very low	28.6	Very low	63 Å²	63	133.4 Å²	133.4	65%	0.649	74%	0.743	S	S	*	*			cis	170.6	153	-10.5	0	0	0	0	0	112.4
1309	N	32.2	Very low	28.5	Very low	151 Å²	151	129.8 Å²	129.8	81%	0.807	74%	0.737	S	S	*	*			trans	78	128.4	163.8	-74.1	54.6	0	0	0	122.6
1310	D	30.1	Very low	28.1	Very low	126 Å²	126	130.1 Å²	130.1	67%	0.674	74%	0.735	S	S	*	*			trans	81.9	91.2	134	-71.3	-56.3	0	0	0	126.2
1311	S	31.3	Very low	28	Very low	89 Å²	89	129.6 Å²	129.6	62%	0.622	74%	0.736	S	S	*	*				86.9	115.6	99.5	-69.2	0	0	0	0	125.1
1312	L	25.7	Very low	27.7	Very low	150 Å²	150	132.8 Å²	132.8	79%	0.785	74%	0.738	S	S	*	*			trans	67.3	153.3	138.8	-83.8	83.4	0	0	0	121.1
1313	K	29.6	Very low	27.6	Very low	184 Å²	184	133.9 Å²	133.9	80%	0.8	74%	0.74	S	S	*	*			cis	-176.3	118.1	-27.3	-126.5	-172.2	-170.9	179.8	0	109.9
1314	I	32.7	Very low	27.7	Very low	167 Å²	167	132 Å²	132	86%	0.856	74%	0.744	S	S	*	*			trans	-147.6	119.4	-179.8	-70.4	-170.2	0	0	0	115.3
1315	A	29.7	Very low	27.6	Very low	87 Å²	87	129.1 Å²	129.1	72%	0.719	75%	0.746	S	S	*	*				57.5	-168.3	127.7	0	0	0	0	0	122.8
1316	P	38.1	Very low	27.6	Very low	106 Å²	106	135.4 Å²	135.4	69%	0.688	76%	0.759	S	S	*	*				-146.8	-159.4	-113.8	44.5	-20.2	0	0	0	118.1
1317	N	29.4	Very low	27.4	Very low	142 Å²	142	135.3 Å²	135.3	76%	0.759	76%	0.76	S	S	*	*			trans	93.6	139.9	143.3	-81.2	5.7	0	0	0	125
1318	H	26.4	Very low	27.3	Very low	175 Å²	175	132.9 Å²	132.9	81%	0.81	75%	0.749	S	S	*	*			trans	80.1	175.1	145.2	-97.6	-92.1	0	0	0	123.2
1319	S	24.5	Very low	27.1	Very low	84 Å²	84	138.8 Å²	138.8	59%	0.587	76%	0.757	S	S	*	*			trans	-97.1	179.2	-153.9	55.4	0	0	0	0	114.1
1320	T	22.9	Very low	26.8	Very low	119 Å²	119	138.1 Å²	138.1	73%	0.73	76%	0.758	S	S	*	*	S	Bend	trans	67.7	131.4	161.4	28.5	0	0	0	0	118.4
1321	V	21.7	Very low	26.9	Very low	122 Å²	122	137.5 Å²	137.5	74%	0.739	76%	0.761	S	S	*	*	S	Bend	trans	44.4	90.9	137.1	-173.9	0	0	0	0	117
1322	L	21.4	Very low	26.5	Very low	131 Å²	131	140.5 Å²	140.5	69%	0.686	77%	0.769	S	S	*	*			trans	69.6	152.8	158.7	-43.9	164.4	0	0	0	113.8
1323	F	25.2	Very low	26.4	Very low	192 Å²	192	140 Å²	140	84%	0.842	77%	0.767	S	S	*	*			cis	-129.8	-167.1	10.3	-84.8	-83.4	0	0	0	111.5
1324	S	22.3	Very low	26.1	Very low	108 Å²	108	133.5 Å²	133.5	76%	0.755	75%	0.745	S	S	*	*			trans	-112.4	155	179.6	-57.1	0	0	0	0	112.7
1325	S	26.1	Very low	25.9	Very low	120 Å²	120	132.8 Å²	132.8	84%	0.839	74%	0.736	S	S	*	*			trans	73.7	154.1	170.1	-51.1	0	0	0	0	115
1326	E	25	Very low	25.6	Very low	193 Å²	193	131.6 Å²	131.6	90%	0.902	72%	0.722	S	S	*	*			cis	-125.6	146.1	14	-60.3	-178.3	116.8	0	0	113.7
1327	D	23.9	Very low	25	Very low	148 Å²	148	128.7 Å²	128.7	79%	0.791	70%	0.704	S	S	*	*	S	Bend	trans	-154.1	149.7	135.3	-156.1	0.4	0	0	0	111.2
1328	I	25.1	Very low	24.8	Very low	133 Å²	133	127.2 Å²	127.2	68%	0.682	70%	0.695	S	S	*	*	S	Bend	trans	47.5	108.8	173	-47.8	-167.8	0	0	0	118.6
1329	K	25.5	Very low	24.9	Very low	188 Å²	188	129.3 Å²	129.3	82%	0.817	70%	0.696	S	S	*	*			trans	83.6	76.8	155.7	-74.6	175	178.4	174.1	0	120.1
1330	V	26.1	Very low	25.2	Very low	137 Å²	137	132.6 Å²	132.6	83%	0.83	70%	0.702	S	S	*	*				20.8	150	119.6	-83.6	0	0	0	0	120.9
1331	P	33	Very low	25.3	Very low	112 Å²	112	136.8 Å²	136.8	73%	0.727	70%	0.704	S	S	*	*				-127	-149.5	-121.1	44.5	-30.6	0	0	0	114.3
1332	L	23	Very low	25.5	Very low	153 Å²	153	138.4 Å²	138.4	80%	0.801	71%	0.708	S	S	*	*			trans	98.1	131.4	177.5	-56	164.2	0	0	0	116.8
1333	D	22.6	Very low	25.6	Very low	139 Å²	139	135.7 Å²	135.7	74%	0.743	70%	0.7	S	S	*	*			trans	42.7	110.8	148.3	-56	-21.2	0	0	0	124.7
1334	S	24.1	Very low	25.6	Very low	48 Å²	48	134.1 Å²	134.1	34%	0.336	70%	0.699	S	S	.	*				89.4	146.9	126.5	87.9	0	0	0	0	124.7	P577 P578	P577-S1334 CarbonylContact C-O 3.54Å; P577-S1334 VanDerWaalsContact CA-O 3.27Å; P577-S1334 WeakPolarHBondContact CA-O 3.33Å; P577-S1334 CarbonylContact O-C 3.47Å; P578-S1334 CarbonylContact O-C 2.79Å
1335	K	27.4	Very low	25.6	Very low	152 Å²	152	134.1 Å²	134.1	66%	0.661	69%	0.694	S	S	*	*			trans	79.3	102.3	161.1	-64.3	160.5	-177.1	162.5	0	123.7	P577 P578	P577-K1335 WeakPolarHBondContact CA-O 3.29Å; P577-K1335 WeakPolarHBondContact CB-O 3.05Å; P578-K1335 VanDerWaalsContact C-C 3.48Å; P578-K1335 VanDerWaalsContact C-CA 3.45Å; P578-K1335 VanDerWaalsContact N-N 3.12Å; P578-K1335 WeakPolarHBondContact O-CA 3.39Å; P578-K1335 PolarHBondContact O-N 2.9Å
1336	S	24.4	Very low	25.6	Very low	61 Å²	61	135.4 Å²	135.4	43%	0.427	69%	0.69	S	S	.	*			trans	56.3	137.8	148.3	57.3	0	0	0	0	123.7	P577 P579	P577-S1336 WeakPolarHBondContact CB-O 3.35Å; P579-S1336 VanDerWaalsContact CD-N 3.32Å; P579-S1336 VanDerWaalsContact N-N 3.18Å
1337	S	26	Very low	25.5	Very low	45 Å²	45	135.4 Å²	135.4	32%	0.315	69%	0.687	S	S	.	*			trans	72.5	159.7	149.5	-67.7	0	0	0	0	117.8	Q534	Q534-S1337 PolarHBondContact NE2-O 3.41Å
1338	L	25.3	Very low	25.7	Very low	111 Å²	111	135.6 Å²	135.6	58%	0.581	68%	0.683	S	S	*	*			cis	-162.4	176.8	-14.3	-115.6	169.1	0	0	0	110.9
1339	R	28.3	Very low	25.6	Very low	220 Å²	220	132.2 Å²	132.2	83%	0.83	68%	0.681	S	S	*	*			trans	78.7	156.7	168.5	-50.6	-167.6	169.8	-151.9	-2.2	116.4
1340	H	29.8	Very low	25.5	Very low	152 Å²	152	133.4 Å²	133.4	70%	0.704	68%	0.682	S	S	*	*			cis	-159	145.6	-32.9	-113.5	-75.9	0	0	0	106.1
1341	R	26	Very low	25.5	Very low	208 Å²	208	132.8 Å²	132.8	79%	0.785	68%	0.678	S	S	*	*			cis	88	72.7	7.9	-154.1	-178	-176	-81.5	1.7	118.4
1342	L	25.7	Very low	25.1	Very low	156 Å²	156	134.7 Å²	134.7	82%	0.817	68%	0.675	S	S	*	*			trans	-131.8	143.3	148.7	-76.4	166	0	0	0	106.3
1343	S	22.5	Very low	25.3	Very low	73 Å²	73	135.9 Å²	135.9	51%	0.51	68%	0.677	S	S	.	*			cis	68.2	75.2	13.4	85.9	0	0	0	0	116.6	T1345	S1343-T1345 PolarHBondContact O-N 3.05Å
1344	I	25.9	Very low	25.3	Very low	159 Å²	159	137.1 Å²	137.1	82%	0.815	68%	0.68	S	S	*	*			trans	-75.7	77.7	161.7	-56.5	-178.3	0	0	0	109.1	I1346	I1344-I1346 HydrophobicContact CG2-CD1 4.37Å; I1344-I1346 HydrophobicContact CG2-CG1 3.87Å
1345	T	23	Very low	25.4	Very low	109 Å²	109	143.6 Å²	143.6	67%	0.669	70%	0.702	S	S	*	*			trans	-94.4	107.3	154.5	-59.8	0	0	0	0	106.4	S1343 K1347	S1343-T1345 PolarHBondContact O-N 3.05Å; T1345-K1347 VanDerWaalsContact C-N 3.25Å; T1345-K1347 HydrophobicContact CG2-CG 4.5Å; T1345-K1347 PolarHBondContact O-N 3.34Å
1346	I	25.4	Very low	25.2	Very low	147 Å²	147	143.6 Å²	143.6	75%	0.754	71%	0.71	S	S	*	*			trans	-75	85.4	173.6	-56.7	-177.3	0	0	0	108.9	I1344	I1344-I1346 HydrophobicContact CG2-CD1 4.37Å; I1344-I1346 HydrophobicContact CG2-CG1 3.87Å
1347	K	23.4	Very low	25.2	Very low	192 Å²	192	146.5 Å²	146.5	84%	0.835	72%	0.719	S	S	*	*			trans	-108.9	101.6	151.1	-84.9	-170.3	174.2	-177.1	0	107.1	T1345	T1345-K1347 VanDerWaalsContact C-N 3.25Å; T1345-K1347 HydrophobicContact CG2-CG 4.5Å; T1345-K1347 PolarHBondContact O-N 3.34Å
1348	Q	27.9	Very low	25.3	Very low	152 Å²	152	150.7 Å²	150.7	71%	0.71	73%	0.729	S	S	*	*			trans	-90.7	109.3	163.1	-76.7	-164.7	1.2	0	0	109.9
1349	G	22.5	Very low	25.3	Very low	62 Å²	62	153.7 Å²	153.7	64%	0.639	74%	0.74	S	S	*	*			trans	-113.1	164.2	142.1	0	0	0	0	0	108.1
1350	Y	23.9	Very low	25.3	Very low	213 Å²	213	145.9 Å²	145.9	84%	0.835	73%	0.729	S	S	*	*			trans	61.8	91.5	172.2	-78	-94.3	0	0	0	118
1351	V	26.2	Very low	25.1	Very low	124 Å²	124	142.8 Å²	142.8	75%	0.752	72%	0.724	S	S	*	*			trans	-123.6	70.9	134.1	-173.6	0	0	0	0	108.9
1352	K	24.2	Very low	25	Very low	152 Å²	152	140.6 Å²	140.6	66%	0.661	72%	0.723	S	S	*	*			trans	-151.1	36.8	167.6	-146.2	173.5	-176.7	174	0	115.3	S1026	S1026-K1352 PolarHBondContact OG-NZ 3.05Å
1353	Q	26.3	Very low	25	Very low	178 Å²	178	139.5 Å²	139.5	83%	0.832	72%	0.716	S	S	*	*	S	Bend	trans	-119.9	148.3	140.8	-96.9	-177	-13	0	0	108.3
1354	M	22.4	Very low	25.2	Very low	166 Å²	166	140.6 Å²	140.6	82%	0.818	72%	0.716	S	S	*	*			trans	-87.5	138.5	-147.5	-75	-164.7	-173.1	0	0	114.4	N1356	M1354-N1356 PolarHBondContact O-N 2.66Å
1355	K	26.4	Very low	25.1	Very low	184 Å²	184	140.4 Å²	140.4	80%	0.8	71%	0.711	S	S	*	*				16.3	104.3	116.6	-178.3	-179.2	-177.3	178.1	0	113	L1357	K1355-L1357 PolarHBondContact O-N 3.29Å; K1355-L1357 VanDerWaalsContact O-N 3.1Å
1356	N	24.8	Very low	25.2	Very low	152 Å²	152	142.3 Å²	142.3	81%	0.813	71%	0.712	S	S	*	*			trans	-49.3	116.2	179.7	-72	-18.1	0	0	0	111.6	M1354	M1354-N1356 PolarHBondContact O-N 2.66Å
1357	L	23.2	Very low	25.3	Very low	121 Å²	121	141.9 Å²	141.9	63%	0.634	72%	0.717	S	S	*	*			trans	-104.1	112.5	154.9	-63.5	-169.9	0	0	0	105.7	K1355	K1355-L1357 PolarHBondContact O-N 3.29Å; K1355-L1357 VanDerWaalsContact O-N 3.1Å
1358	Y	28.1	Very low	25.4	Very low	134 Å²	134	135.9 Å²	135.9	53%	0.525	69%	0.693	S	S	.	*			cis	-145.6	154.6	3.8	-98.1	-86	0	0	0	109.6	G1360 V1420	Y1358-G1360 PolarHBondContact O-N 3.23Å; Y1358-V1420 HydrophobicContact CD1-CB 4.45Å; Y1358-V1420 HydrophobicContact CD1-CG1 3.6Å; Y1358-V1420 HydrophobicContact CD1-CG2 3.89Å; Y1358-V1420 HydrophobicContact CD2-CG1 3.64Å; Y1358-V1420 HydrophobicContact CE1-CG1 3.75Å; Y1358-V1420 HydrophobicContact CE1-CG2 4.38Å; Y1358-V1420 HydrophobicContact CE2-CG1 3.78Å; Y1358-V1420 HydrophobicContact CG-CG1 3.55Å; Y1358-V1420 HydrophobicContact CG-CG2 4.32Å
1359	E	25.1	Very low	25.3	Very low	173 Å²	173	132.4 Å²	132.4	81%	0.808	68%	0.684	S	S	*	*			trans	-66.7	92.1	143.4	-75.7	172.5	134.3	0	0	107.3	V1420	E1359-V1420 VanDerWaalsContact O-CG2 3.29Å; E1359-V1420 WeakPolarHBondContact O-CG2 3.41Å
1360	G	28.1	Very low	25.6	Very low	57 Å²	57	133.8 Å²	133.8	59%	0.588	68%	0.68	S	S	*	*			trans	-93	81.4	166.9	0	0	0	0	0	107.8	Y1358	Y1358-G1360 PolarHBondContact O-N 3.23Å
1361	S	25.7	Very low	25.7	Very low	87 Å²	87	126 Å²	126	61%	0.608	66%	0.656	S	S	*	*			trans	-56.4	147.3	-161.4	-46.7	0	0	0	0	115.4
1362	E	24.2	Very low	25.6	Very low	162 Å²	162	131.5 Å²	131.5	76%	0.757	66%	0.664	S	S	*	*			trans	28.7	118.4	136.3	-58.2	177.2	128.5	0	0	118.7
1363	I	25.7	Very low	25.7	Very low	132 Å²	132	128.6 Å²	128.6	68%	0.677	66%	0.662	S	S	*	*			trans	-113.7	125	140.8	-69	179.6	0	0	0	107.1
1364	I	27.6	Very low	25.6	Very low	97 Å²	97	127.5 Å²	127.5	50%	0.497	66%	0.662	S	S	.	*			trans	-100	128	173.5	-65.5	169.7	0	0	0	108.2
1365	Q	23.3	Very low	25.8	Very low	154 Å²	154	124.6 Å²	124.6	72%	0.72	66%	0.658	S	S	*	*			trans	-124.4	133.7	146.6	-74	179.4	-84.4	0	0	105.6
1366	E	24.6	Very low	25.7	Very low	149 Å²	149	122.1 Å²	122.1	70%	0.696	66%	0.659	S	S	*	*	S	Bend	cis	-154.5	103.6	5.5	-119	153.1	-161	0	0	110.9
1367	T	27	Very low	25.7	Very low	138 Å²	138	122.2 Å²	122.2	85%	0.847	66%	0.664	S	S	*	*			trans	-171.6	133.4	139.7	12.6	0	0	0	0	110.4
1368	I	25.9	Very low	26.5	Very low	66 Å²	66	120.8 Å²	120.8	34%	0.338	66%	0.664	S	S	.	*			trans	-156.7	135	-165.7	-60.7	175.8	0	0	0	103.2	N1415 I1416	I1368-N1415 HydrophobicContact CD1-CB 4.23Å; I1368-N1415 HydrophobicContact CG2-CB 4Å; I1368-I1416 HydrophobicContact CD1-CD1 4.36Å; I1368-I1416 HydrophobicContact CD1-CG1 4.13Å
1369	P	27.1	Very low	26.6	Very low	79 Å²	79	121.4 Å²	121.4	51%	0.513	68%	0.677	S	S	.	*			cis	-128.7	-166.3	34.2	30.6	-5.4	0	0	0	112.4	V1413	P1369-V1413 HydrophobicContact CB-CG1 4.16Å; P1369-V1413 HydrophobicContact CB-CG2 4.43Å; P1369-V1413 HydrophobicContact CG-CG1 4.09Å; P1369-V1413 HydrophobicContact CG-CG2 4.04Å
1370	T	28.4	Very low	27	Very low	92 Å²	92	120.1 Å²	120.1	56%	0.564	67%	0.674	S	S	*	*			cis	-148.9	125.2	26.5	61.3	0	0	0	0	115.4	V1413	T1370-V1413 HydrophobicContact CG2-CB 4.38Å; T1370-V1413 HydrophobicContact CG2-CG2 3.64Å
1371	S	26.1	Very low	27	Very low	48 Å²	48	121.8 Å²	121.8	34%	0.336	68%	0.677	S	S	.	*			trans	27.3	121.8	138.3	64	0	0	0	0	122.8	V1413	S1371-V1413 PolarHBondContact OG-N 3.24Å; S1371-V1413 VanDerWaalsContact OG-N 3.11Å
1372	R	23.8	Very low	27	Very low	241 Å²	241	122.8 Å²	122.8	91%	0.909	68%	0.675	S	S	*	*			trans	84.8	150.4	131.1	-81.7	-174.6	172.9	151	-0.5	122.7
1373	S	25.6	Very low	27.2	Very low	90 Å²	90	121.3 Å²	121.3	63%	0.629	67%	0.672	S	S	*	*			trans	-60.6	175.7	-179.3	51.1	0	0	0	0	116
1374	D	24.3	Very low	27.4	Very low	155 Å²	155	122.7 Å²	122.7	83%	0.829	68%	0.68	S	S	*	*				-165.6	163.1	102.8	-89.8	-8.2	0	0	0	113.4
1375	S	27.1	Very low	27.6	Very low	105 Å²	105	124 Å²	124	73%	0.734	69%	0.694	S	S	*	*			trans	-116.5	157.1	167.3	61	0	0	0	0	109.2
1376	V	23.6	Very low	27.9	Very low	133 Å²	133	120.9 Å²	120.9	81%	0.806	70%	0.695	S	S	*	*			trans	71.4	86.7	-177.9	-166.5	0	0	0	0	113.7
1377	V	25	Very low	28.1	Very low	153 Å²	153	119.1 Å²	119.1	93%	0.927	70%	0.699	S	S	*	*			trans	-92.4	103.9	168.6	179.5	0	0	0	0	109.8
1378	S	39.3	Very low	28.4	Very low	91 Å²	91	117.3 Å²	117.3	64%	0.636	69%	0.692	S	S	*	*			trans	-169.4	103.5	152.1	56.6	0	0	0	0	110.9
1379	N	30.1	Very low	28.6	Very low	147 Å²	147	120.7 Å²	120.7	79%	0.786	71%	0.711	S	S	*	*			trans	-167.1	124.1	145.4	-106.6	-21.1	0	0	0	112.9
1380	I	35.3	Very low	28.9	Very low	146 Å²	146	122.3 Å²	122.3	75%	0.749	72%	0.72	S	S	*	*			trans	68.3	125	137.9	-60.3	166.2	0	0	0	117.9
1381	S	26.8	Very low	29	Very low	93 Å²	93	124.2 Å²	124.2	65%	0.65	73%	0.731	S	S	*	*			cis	-170.8	153.9	-16.5	-102.7	0	0	0	0	109
1382	L	26.6	Very low	29.1	Very low	108 Å²	108	125.4 Å²	125.4	57%	0.565	75%	0.752	S	S	*	*				-173	113.8	116.9	-97.9	162.7	0	0	0	109.3
1383	N	28	Very low	29.6	Very low	130 Å²	130	119.5 Å²	119.5	70%	0.695	74%	0.744	S	S	*	*			trans	36.7	119.8	154.8	-47.7	-12.8	0	0	0	118.5
1384	L	30.5	Very low	29.4	Very low	162 Å²	162	120.5 Å²	120.5	85%	0.848	75%	0.75	S	S	*	*				51.1	141.5	58.4	-72.4	83.1	0	0	0	114.1
1385	P	31.6	Very low	29.5	Very low	123 Å²	123	119.9 Å²	119.9	80%	0.799	75%	0.747	S	S	*	*			cis	-128	-171.1	15.6	41.3	-24.5	0	0	0	116
1386	A	28.3	Very low	29.3	Very low	90 Å²	90	125.8 Å²	125.8	74%	0.744	75%	0.753	S	S	*	*			trans	-36.8	157.4	170.6	0	0	0	0	0	116.8
1387	S	30.5	Very low	29.6	Very low	111 Å²	111	124.8 Å²	124.8	78%	0.776	75%	0.749	S	S	*	*			cis	-176.1	174.2	-3.9	43.5	0	0	0	0	107.3
1388	S	32	Very low	30	Very low	101 Å²	101	123 Å²	123	71%	0.706	74%	0.739	S	S	*	*			cis	-168	-174.8	-25.5	54.7	0	0	0	0	105.4
1389	N	30.4	Very low	29.6	Very low	137 Å²	137	127 Å²	127	73%	0.733	75%	0.747	S	S	*	*			cis	-152.7	-150.1	4.5	-144.8	-22	0	0	0	105.4
1390	T	32.6	Very low	29.8	Very low	112 Å²	112	125.4 Å²	125.4	69%	0.687	74%	0.743	S	S	*	*			cis	-163.3	140.4	-11.1	7	0	0	0	0	103.9
1391	T	31.7	Very low	29.8	Very low	132 Å²	132	123.2 Å²	123.2	81%	0.81	74%	0.736	S	S	*	*			cis	-128.7	102.8	-13.6	49.4	0	0	0	0	106.8
1392	G	28.3	Very low	29.9	Very low	74 Å²	74	122.9 Å²	122.9	76%	0.763	73%	0.734	S	S	*	*			trans	-106.8	172.7	-148.4	0	0	0	0	0	119.2
1393	P	33.2	Very low	30.3	Very low	117 Å²	117	123.1 Å²	123.1	76%	0.76	74%	0.742	S	S	*	*			trans	-108.1	-175.3	175.1	43.2	-35.8	0	0	0	113.8
1394	C	22.9	Very low	30.7	Very low	110 Å²	110	122 Å²	122	74%	0.743	74%	0.742	S	S	*	*			trans	71	156.2	156.4	-65.8	0	0	0	0	121.6
1395	D	25.5	Very low	30.7	Very low	143 Å²	143	119.3 Å²	119.3	77%	0.765	74%	0.743	S	S	*	*			trans	53.2	156.6	161.9	-61.8	-53.3	0	0	0	121.2
1396	R	23.5	Very low	30.6	Very low	229 Å²	229	118.4 Å²	118.4	86%	0.864	74%	0.739	S	S	*	*			cis	84.2	149.5	22.6	-81.8	-169	167.8	-177.1	-3.2	115.9
1397	P	30.3	Very low	30.6	Very low	111 Å²	111	119.4 Å²	119.4	72%	0.721	74%	0.741	S	S	*	*				-123	176.5	-128.7	43.5	-34	0	0	0	115.3
1398	V	33.1	Very low	30.5	Very low	117 Å²	117	118.6 Å²	118.6	71%	0.709	74%	0.735	S	S	*	*			trans	167	138.8	137.3	147.5	0	0	0	0	112.8
1399	E	31.3	Very low	30.2	Very low	174 Å²	174	121.5 Å²	121.5	81%	0.813	74%	0.742	S	S	*	*			trans	51.8	145.4	156.6	-76.1	162.5	-165.1	0	0	121.7
1400	T	34	Very low	30.1	Very low	114 Å²	114	119.3 Å²	119.3	70%	0.699	74%	0.737	S	S	*	*			cis	-158.6	-176.2	1.7	34.2	0	0	0	0	107
1401	T	34.4	Very low	29.6	Very low	99 Å²	99	118.7 Å²	118.7	61%	0.607	74%	0.738	S	S	*	*			cis	-169.6	-176.4	-16.5	33.6	0	0	0	0	106.2
1402	S	28.7	Very low	29.6	Very low	87 Å²	87	117 Å²	117	61%	0.608	73%	0.729	S	S	*	*			cis	-177.6	175	-45.8	72.2	0	0	0	0	108.3
1403	P	35.7	Very low	29.3	Very low	113 Å²	113	116.8 Å²	116.8	73%	0.734	71%	0.713	S	S	*	*			cis	-117.4	-64.8	-17.8	22.1	-7.1	0	0	0	121.7
1404	P	37.3	Very low	28.9	Very low	107 Å²	107	114.8 Å²	114.8	70%	0.695	70%	0.701	S	S	*	*				-121.3	160.8	-101.3	34.3	-18.9	0	0	0	118.7
1405	A	29.1	Very low	28.9	Very low	104 Å²	104	113.9 Å²	113.9	86%	0.86	69%	0.689	S	S	*	*			trans	62.9	129.5	161.7	0	0	0	0	0	118.6
1406	S	29.4	Very low	28.7	Very low	104 Å²	104	113.4 Å²	113.4	73%	0.727	69%	0.685	S	S	*	*			cis	-156.6	145.7	5.4	57	0	0	0	0	113.5
1407	S	28.4	Very low	28.7	Very low	112 Å²	112	107.4 Å²	107.4	78%	0.783	67%	0.671	S	S	*	*			trans	63.3	146.7	164.7	65.7	0	0	0	0	118.5
1408	S	28.4	Very low	28.5	Very low	94 Å²	94	110.1 Å²	110.1	66%	0.657	67%	0.673	S	S	*	*			cis	-175.4	148.3	-17	49.3	0	0	0	0	110.3
1409	L	26.5	Very low	28.2	Very low	162 Å²	162	110.5 Å²	110.5	85%	0.848	68%	0.676	S	S	*	*			trans	26.1	146.9	149.7	-67.4	89.3	0	0	0	120.6
1410	S	27.7	Very low	28	Very low	90 Å²	90	104.5 Å²	104.5	63%	0.629	65%	0.652	S	S	*	*			cis	-167.8	166.5	-4.6	51.6	0	0	0	0	106.6
1411	S	23	Very low	27.6	Very low	100 Å²	100	108.9 Å²	108.9	70%	0.699	66%	0.655	S	S	*	*				41.9	150.5	71.2	-6	0	0	0	0	115.2
1412	P	30.8	Very low	27.4	Very low	97 Å²	97	112.1 Å²	112.1	63%	0.63	66%	0.664	S	S	*	*			cis	-143.7	-157	-18.2	38.4	-16	0	0	0	113.4
1413	V	22.4	Very low	27.2	Very low	69 Å²	69	114 Å²	114	42%	0.418	67%	0.666	S	S	.	*			trans	78.1	135.7	144.4	166.9	0	0	0	0	121.3	P1369 T1370 S1371	P1369-V1413 HydrophobicContact CB-CG1 4.16Å; P1369-V1413 HydrophobicContact CB-CG2 4.43Å; P1369-V1413 HydrophobicContact CG-CG1 4.09Å; P1369-V1413 HydrophobicContact CG-CG2 4.04Å; T1370-V1413 HydrophobicContact CG2-CB 4.38Å; T1370-V1413 HydrophobicContact CG2-CG2 3.64Å; S1371-V1413 PolarHBondContact OG-N 3.24Å; S1371-V1413 VanDerWaalsContact OG-N 3.11Å
1414	S	24	Very low	27	Very low	74 Å²	74	114.9 Å²	114.9	52%	0.517	67%	0.669	S	S	.	*			trans	86.6	135.3	154.1	68.2	0	0	0	0	122
1415	N	22.8	Very low	26.5	Very low	92 Å²	92	114.5 Å²	114.5	49%	0.492	67%	0.665	S	S	.	*			trans	-84.6	163.8	155.4	-55.5	-42.8	0	0	0	108.7	I1368	I1368-N1415 HydrophobicContact CD1-CB 4.23Å; I1368-N1415 HydrophobicContact CG2-CB 4Å
1416	I	23.1	Very low	26.7	Very low	132 Å²	132	113.5 Å²	113.5	68%	0.677	65%	0.648	S	S	*	*				176.9	127.9	126.1	-93.3	156.1	0	0	0	110.7	I1368	I1368-I1416 HydrophobicContact CD1-CD1 4.36Å; I1368-I1416 HydrophobicContact CD1-CG1 4.13Å
1417	N	23	Very low	26.6	Very low	104 Å²	104	111.7 Å²	111.7	56%	0.556	63%	0.63	S	S	*	*			trans	62.8	157.1	155.8	-70.4	-2.2	0	0	0	124
1418	E	25.6	Very low	26.7	Very low	167 Å²	167	118.9 Å²	118.9	78%	0.78	64%	0.64	S	S	*	*			trans	89	76.6	145.4	-84.3	174.9	144	0	0	122.6
1419	T	27.8	Very low	26.6	Very low	126 Å²	126	117.4 Å²	117.4	77%	0.773	63%	0.63	S	S	*	*				92.3	124.9	116	50.2	0	0	0	0	122.1	R1421	T1419-R1421 PolarHBondContact O-N 2.68Å
1420	V	26.1	Very low	26.8	Very low	48 Å²	48	116.1 Å²	116.1	29%	0.291	62%	0.624	S	S	.	*			trans	-65.4	115.6	154.1	169.1	0	0	0	0	111.3	Y1358 E1359	Y1358-V1420 HydrophobicContact CD1-CB 4.45Å; Y1358-V1420 HydrophobicContact CD1-CG1 3.6Å; Y1358-V1420 HydrophobicContact CD1-CG2 3.89Å; Y1358-V1420 HydrophobicContact CD2-CG1 3.64Å; Y1358-V1420 HydrophobicContact CE1-CG1 3.75Å; Y1358-V1420 HydrophobicContact CE1-CG2 4.38Å; Y1358-V1420 HydrophobicContact CE2-CG1 3.78Å; Y1358-V1420 HydrophobicContact CG-CG1 3.55Å; Y1358-V1420 HydrophobicContact CG-CG2 4.32Å; E1359-V1420 VanDerWaalsContact O-CG2 3.29Å; E1359-V1420 WeakPolarHBondContact O-CG2 3.41Å
1421	R	25.9	Very low	27.3	Very low	205 Å²	205	116.8 Å²	116.8	77%	0.774	62%	0.621	S	S	*	*				174.7	112.2	123.4	-97.4	-172.1	-167.3	88.6	1	112.2	T1419	T1419-R1421 PolarHBondContact O-N 2.68Å
1422	E	29.2	Very low	27.9	Very low	168 Å²	168	118.3 Å²	118.3	79%	0.785	63%	0.628	S	S	*	*			trans	175	150.7	137.9	-88.1	-145.3	146.9	0	0	106.8
1423	L	24.8	Very low	28.4	Very low	127 Å²	127	119.5 Å²	119.5	67%	0.665	63%	0.625	S	S	*	*			cis	-153.1	174.9	-24.3	-124.7	178.6	0	0	0	107.9
1424	V	32.6	Very low	29.3	Very low	131 Å²	131	121.2 Å²	121.2	79%	0.794	63%	0.63	S	S	*	*			trans	-96.4	112.6	167.8	173.5	0	0	0	0	109.7
1425	T	27.1	Very low	30	Very low	98 Å²	98	123.5 Å²	123.5	60%	0.601	64%	0.635	S	S	*	*			trans	-166.9	108.8	145.1	19.6	0	0	0	0	112.1
1426	T	31.7	Very low	30.9	Very low	83 Å²	83	123 Å²	123	51%	0.509	64%	0.644	S	S	.	*				48.8	126.8	125.4	59.1	0	0	0	0	122	P123	P123-T1426 WeakPolarHBondContact CD-OG1 3.46Å; P123-T1426 HydrophobicContact CG-CG2 3.99Å; P123-T1426 WeakPolarHBondContact CG-OG1 3.31Å
1427	D	28	Very low	31.7	Very low	67 Å²	67	119 Å²	119	36%	0.358	64%	0.635	S	S	.	*				-158.7	121.1	103.4	-93.9	-15.4	0	0	0	111.6	N76 S122	N76-D1427 PolarHBondContact ND2-OD2 2.76Å; S122-D1427 WeakPolarHBondContact CB-OD1 3.3Å; S122-D1427 WeakPolarHBondContact CB-OD2 3.46Å; S122-D1427 PolarHBondContact OG-OD1 2.84Å; S122-D1427 PolarHBondContact OG-OD2 2.87Å
1428	W	30.4	Very low	32.6	Very low	262 Å²	262	117 Å²	117	99%	0.992	63%	0.633	S	S	*	*			trans	-134.4	90.7	166	-77.3	77.9	0	0	0	106.6
1429	S	26.7	Very low	33.9	Very low	63 Å²	63	110.5 Å²	110.5	44%	0.441	61%	0.606	S	S	.	*			trans	-120.1	160.4	173.3	-167.3	0	0	0	0	109.7
1430	D	30.2	Very low	34.9	Very low	135 Å²	135	110.6 Å²	110.6	72%	0.722	60%	0.596	S	S	*	*	S	Bend	trans	95	10.2	162.9	-57	6.7	0	0	0	119
1431	D	37.8	Very low	36.4	Very low	104 Å²	104	113.7 Å²	113.7	56%	0.556	61%	0.607	S	S	*	*			trans	-137.9	110.6	152.4	-163.7	-22.9	0	0	0	112.5	E1433	D1431-E1433 PolarHBondContact OD1-N 3.38Å; D1431-E1433 VanDerWaalsContact OD1-N 3.15Å
1432	P	37.1	Very low	38	Very low	132 Å²	132	104.9 Å²	104.9	86%	0.857	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-5.5	-174.8	35.6	-36.8	0	0	0	115.3
1433	E	41.1	Very low	39.7	Very low	123 Å²	123	97.2 Å²	97.2	58%	0.575	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-8.9	179.2	-63.7	-155.3	140.7	0	0	113.4	D1431 K1627 R1721	D1431-E1433 PolarHBondContact OD1-N 3.38Å; D1431-E1433 VanDerWaalsContact OD1-N 3.15Å; E1433-K1627 IonicContact OE2-NZ 2.68Å; E1433-R1721 IonicContact OE1-NH2 2.71Å; E1433-R1721 PolarHBondContact OE1-NH2 2.66Å
1434	M	39.4	Very low	41.8	Very low	105 Å²	105	94.5 Å²	94.5	52%	0.517	53%	0.532	S	S	.	.			trans	-98.1	97.4	-178.6	-142.4	-162.4	-45.1	0	0	113.7	A1436 S1439	M1434-A1436 PolarHBondContact O-N 3.17Å; M1434-S1439 VanDerWaalsContact SD-CB 3.59Å
1435	I	40	Very low	43.6	Very low	122 Å²	122	92.3 Å²	92.3	63%	0.626	51%	0.513	S	S	*	.			trans	-71.1	120.1	173.7	-58	175.4	0	0	0	109.6	G1437 A1438	I1435-G1437 PolarHBondContact O-N 3.24Å; I1435-A1438 PolarHBondContact O-N 3.19Å
1436	A	41.7	Very low	45.6	Very low	82 Å²	82	87.7 Å²	87.7	68%	0.678	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-1.5	-172.3	0	0	0	0	0	117.1	M1434 S1439	M1434-A1436 PolarHBondContact O-N 3.17Å; A1436-S1439 WeakPolarHBondContact CA-OG 3.46Å
1437	G	39.8	Very low	47.5	Very low	47 Å²	47	90.3 Å²	90.3	49%	0.485	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-45.7	166.9	0	0	0	0	0	112.5	I1435 S1439 F1440 E1441	I1435-G1437 PolarHBondContact O-N 3.24Å; G1437-S1439 VanDerWaalsContact C-N 3.33Å; G1437-S1439 PolarHBondContact O-N 2.8Å; G1437-F1440 PolarHBondContact O-N 3.48Å; G1437-F1440 VanDerWaalsContact O-N 3.16Å; G1437-E1441 PolarHBondContact O-N 3.26Å; G1437-E1441 VanDerWaalsContact O-N 3.1Å
1438	A	42.5	Very low	49.7	Very low	61 Å²	61	91.1 Å²	91.1	50%	0.504	50%	0.501	S	S	.	.	H	α-helix	trans	-66.9	-34.8	-178.7	0	0	0	0	0	112	I1435 F1440 A1442	I1435-A1438 PolarHBondContact O-N 3.19Å; A1438-F1440 VanDerWaalsContact C-N 3.32Å; A1438-F1440 PolarHBondContact O-N 3.29Å; A1438-A1442 WeakPolarHBondContact O-CB 3.48Å; A1438-A1442 PolarHBondContact O-N 3.39Å
1439	S	51.1	Low	51.5	Low	32 Å²	32	80.9 Å²	80.9	22%	0.224	46%	0.464	C	S	.	.	H	α-helix	trans	-68.6	-29	174.4	59.3	0	0	0	0	113.2	M1434 A1436 G1437 A1443 Y1465	M1434-S1439 VanDerWaalsContact SD-CB 3.59Å; A1436-S1439 WeakPolarHBondContact CA-OG 3.46Å; G1437-S1439 VanDerWaalsContact C-N 3.33Å; G1437-S1439 PolarHBondContact O-N 2.8Å; S1439-A1443 WeakPolarHBondContact O-CB 3.48Å; S1439-A1443 PolarHBondContact O-N 2.94Å; S1439-A1443 VanDerWaalsContact O-N 3.1Å; S1439-Y1465 PolarHBondContact O-OH 3.21Å; S1439-Y1465 VanDerWaalsContact O-OH 3.07Å
1440	F	49.6	Very low	53.9	Low	127 Å²	127	78.2 Å²	78.2	56%	0.557	45%	0.445	S	S	*	.	H	α-helix	trans	-75.6	-43.3	175.8	-176.9	-94.1	0	0	0	112	G1437 A1438 A1443 V1444	G1437-F1440 PolarHBondContact O-N 3.48Å; G1437-F1440 VanDerWaalsContact O-N 3.16Å; A1438-F1440 VanDerWaalsContact C-N 3.32Å; A1438-F1440 PolarHBondContact O-N 3.29Å; F1440-A1443 WeakPolarHBondContact O-CB 3.24Å; F1440-A1443 PolarHBondContact O-N 2.91Å; F1440-V1444 HydrophobicContact CD1-CG2 4.33Å; F1440-V1444 HydrophobicContact CE1-CG2 3.95Å; F1440-V1444 HydrophobicContact CZ-CG2 4.15Å; F1440-V1444 WeakPolarHBondContact O-CG2 3.39Å; F1440-V1444 PolarHBondContact O-N 3.23Å
1441	E	56.8	Low	55.6	Low	114 Å²	114	77 Å²	77	53%	0.533	45%	0.445	S	S	.	.	H	α-helix	trans	-64	-46.2	177.7	-164.3	160.7	-146.9	0	0	110.9	G1437 A1443 V1444 E1445	G1437-E1441 PolarHBondContact O-N 3.26Å; G1437-E1441 VanDerWaalsContact O-N 3.1Å; E1441-A1443 VanDerWaalsContact C-N 3.31Å; E1441-A1443 PolarHBondContact O-N 2.71Å; E1441-V1444 PolarHBondContact O-N 2.88Å; E1441-E1445 PolarHBondContact O-N 3.35Å
1442	A	61.4	Low	56.8	Low	19 Å²	19	77.1 Å²	77.1	16%	0.157	45%	0.445	C	S	.	.	H	α-helix	trans	-61.7	-33.7	173.3	0	0	0	0	0	113.6	A1438 L1446 L1469	A1438-A1442 WeakPolarHBondContact O-CB 3.48Å; A1438-A1442 PolarHBondContact O-N 3.39Å; A1442-L1446 PolarHBondContact O-N 3.48Å; A1442-L1469 HydrophobicContact CB-CD1 3.78Å; A1442-L1469 HydrophobicContact CB-CD2 3.75Å; A1442-L1469 HydrophobicContact CB-CG 4.42Å
1443	A	64.3	Low	58.3	Low	8 Å²	8	71.6 Å²	71.6	7%	0.066	41%	0.408	C	S	.	.	H	α-helix	trans	-70.7	-37.4	175.8	0	0	0	0	0	112.8	S1439 F1440 E1441 R1447 M1455 Y1465	S1439-A1443 WeakPolarHBondContact O-CB 3.48Å; S1439-A1443 PolarHBondContact O-N 2.94Å; S1439-A1443 VanDerWaalsContact O-N 3.1Å; F1440-A1443 WeakPolarHBondContact O-CB 3.24Å; F1440-A1443 PolarHBondContact O-N 2.91Å; E1441-A1443 VanDerWaalsContact C-N 3.31Å; E1441-A1443 PolarHBondContact O-N 2.71Å; A1443-R1447 WeakPolarHBondContact O-CG 3.29Å; A1443-R1447 PolarHBondContact O-N 2.87Å; A1443-R1447 VanDerWaalsContact O-N 3.11Å; A1443-M1455 HydrophobicContact CB-CE 3.86Å; A1443-M1455 HydrophobicContact CB-SD 3.37Å; A1443-M1455 WeakPolarHBondContact CB-SD 3.22Å; A1443-Y1465 WeakPolarHBondContact CA-OH 3.47Å; A1443-Y1465 PolarHBondContact N-OH 3.33Å; A1443-Y1465 VanDerWaalsContact N-OH 3.12Å
1444	V	69	Low	59.3	Low	70 Å²	70	72.2 Å²	72.2	42%	0.424	41%	0.41	S	S	.	.	H	α-helix	trans	-67.4	-41.9	173.5	169.7	0	0	0	0	110.2	F1440 E1441 R1447 A1448	F1440-V1444 HydrophobicContact CD1-CG2 4.33Å; F1440-V1444 HydrophobicContact CE1-CG2 3.95Å; F1440-V1444 HydrophobicContact CZ-CG2 4.15Å; F1440-V1444 WeakPolarHBondContact O-CG2 3.39Å; F1440-V1444 PolarHBondContact O-N 3.23Å; E1441-V1444 PolarHBondContact O-N 2.88Å; V1444-R1447 PolarHBondContact O-N 3.44Å; V1444-A1448 WeakPolarHBondContact O-CB 3.01Å; V1444-A1448 PolarHBondContact O-N 3.26Å
1445	E	69.5	Low	60.2	Low	84 Å²	84	70.6 Å²	70.6	39%	0.393	40%	0.402	S	S	.	.	H	α-helix	trans	-64.9	-41.8	177.9	-171.9	166.9	-147.6	0	0	112.6	E1441 A1448 Q1449 L1472 Q1476	E1441-E1445 PolarHBondContact O-N 3.35Å; E1445-A1448 PolarHBondContact O-N 3.43Å; E1445-Q1449 WeakPolarHBondContact O-CG 3.4Å; E1445-Q1449 PolarHBondContact O-N 3.18Å; E1445-Q1449 VanDerWaalsContact O-N 3.14Å; E1445-L1472 HydrophobicContact CG-CD2 4.25Å; E1445-Q1476 PolarHBondContact OE1-NE2 3.23Å
1446	L	69.8	Low	60.8	Low	1 Å²	1	66.5 Å²	66.5	1%	0.005	38%	0.384	C	S	.	.	H	α-helix	trans	-62.8	-44.2	172.3	-87	176.6	0	0	0	112.4	A1442 A1448 Q1449 F1450 F1453 Y1465 T1468 L1469 L1472	A1442-L1446 PolarHBondContact O-N 3.48Å; L1446-A1448 VanDerWaalsContact C-N 3.29Å; L1446-A1448 PolarHBondContact O-N 3.22Å; L1446-Q1449 CarbonylContact O-C 3.18Å; L1446-Q1449 PolarHBondContact O-N 3.24Å; L1446-Q1449 VanDerWaalsContact O-N 3.12Å; L1446-F1450 HydrophobicContact CD2-CD2 4.03Å; L1446-F1450 HydrophobicContact CD2-CE2 4.21Å; L1446-F1450 WeakPolarHBondContact O-CB 3.49Å; L1446-F1450 PolarHBondContact O-N 3.24Å; L1446-F1453 HydrophobicContact CD1-CE1 4.38Å; L1446-F1453 HydrophobicContact CD1-CZ 4.39Å; L1446-Y1465 HydrophobicContact CD1-CD2 3.45Å; L1446-Y1465 VanDerWaalsContact CD1-CD2 3.45Å; L1446-Y1465 HydrophobicContact CD1-CE2 3.37Å; L1446-Y1465 HydrophobicContact CD1-CG 4.33Å; L1446-T1468 HydrophobicContact CD2-CG2 3.54Å; L1446-L1469 HydrophobicContact CD1-CD1 3.86Å; L1446-L1469 HydrophobicContact CD1-CD2 4.42Å; L1446-L1469 HydrophobicContact CD1-CG 3.66Å; L1446-L1469 HydrophobicContact CG-CD2 4.24Å; L1446-L1469 HydrophobicContact CG-CG 3.96Å; L1446-L1472 HydrophobicContact CD2-CD2 4.18Å
1447	R	71.6	Confident	61.2	Low	139 Å²	139	68.5 Å²	68.5	53%	0.525	39%	0.393	S	S	.	.	H	α-helix	trans	-66.7	-29	177.2	-69.7	-179.4	-154.4	-165.9	4.2	113.4	A1443 V1444 Q1449 F1450 P1451 M1455	A1443-R1447 WeakPolarHBondContact O-CG 3.29Å; A1443-R1447 PolarHBondContact O-N 2.87Å; A1443-R1447 VanDerWaalsContact O-N 3.11Å; V1444-R1447 PolarHBondContact O-N 3.44Å; R1447-Q1449 VanDerWaalsContact C-N 3.31Å; R1447-F1450 CarbonylContact O-C 3.23Å; R1447-P1451 WeakPolarHBondContact O-CA 3.23Å; R1447-M1455 PolarHBondContact NH2-SD 3.47Å
1448	A	73.7	Confident	61.3	Low	84 Å²	84	74.2 Å²	74.2	69%	0.694	40%	0.404	S	S	*	.	H	α-helix	trans	-70.8	-28	173.1	0	0	0	0	0	112.7	V1444 E1445 L1446	V1444-A1448 WeakPolarHBondContact O-CB 3.01Å; V1444-A1448 PolarHBondContact O-N 3.26Å; E1445-A1448 PolarHBondContact O-N 3.43Å; L1446-A1448 VanDerWaalsContact C-N 3.29Å; L1446-A1448 PolarHBondContact O-N 3.22Å
1449	Q	68.8	Low	61.8	Low	46 Å²	46	74.8 Å²	74.8	22%	0.215	42%	0.417	C	S	.	.	H	α-helix	trans	-87.6	-32.1	175.6	-72.6	-81.6	-4.8	0	0	112.9	E1445 L1446 R1447 L1472 K1530	E1445-Q1449 WeakPolarHBondContact O-CG 3.4Å; E1445-Q1449 PolarHBondContact O-N 3.18Å; E1445-Q1449 VanDerWaalsContact O-N 3.14Å; L1446-Q1449 CarbonylContact O-C 3.18Å; L1446-Q1449 PolarHBondContact O-N 3.24Å; L1446-Q1449 VanDerWaalsContact O-N 3.12Å; R1447-Q1449 VanDerWaalsContact C-N 3.31Å; Q1449-L1472 HydrophobicContact CB-CD1 4.43Å; Q1449-L1472 HydrophobicContact CG-CD1 3.79Å; Q1449-L1472 HydrophobicContact CG-CD2 4.06Å; Q1449-K1530 WeakPolarHBondContact O-CE 3.42Å; Q1449-K1530 PolarHBondContact O-NZ 3.24Å
1450	F	76.8	Confident	61.7	Low	7 Å²	7	79.8 Å²	79.8	3%	0.031	44%	0.436	C	S	.	.			trans	-140.7	88.4	-172.8	-61.5	-90.1	0	0	0	109.3	L1446 R1447 N1452 F1453 T1468 K1530 T1531 G1534 Y1535	L1446-F1450 HydrophobicContact CD2-CD2 4.03Å; L1446-F1450 HydrophobicContact CD2-CE2 4.21Å; L1446-F1450 WeakPolarHBondContact O-CB 3.49Å; L1446-F1450 PolarHBondContact O-N 3.24Å; R1447-F1450 CarbonylContact O-C 3.23Å; F1450-N1452 PolarHBondContact O-N 3.32Å; F1450-N1452 VanDerWaalsContact O-N 3.17Å; F1450-F1453 HydrophobicContact CB-CB 3.77Å; F1450-F1453 HydrophobicContact CB-CD2 4.25Å; F1450-F1453 HydrophobicContact CB-CG 4.48Å; F1450-F1453 HydrophobicContact CG-CD2 4.46Å; F1450-F1453 VanDerWaalsContact O-CB 3.27Å; F1450-F1453 WeakPolarHBondContact O-CB 3.19Å; F1450-F1453 PolarHBondContact O-N 3.22Å; F1450-T1468 HydrophobicContact CD2-CG2 4.47Å; F1450-T1468 HydrophobicContact CE2-CG2 3.86Å; F1450-T1468 HydrophobicContact CZ-CG2 4.19Å; F1450-K1530 HydrophobicContact CD1-CG 4.22Å; F1450-K1530 HydrophobicContact CE1-CD 4.12Å; F1450-K1530 HydrophobicContact CE1-CG 3.37Å; F1450-K1530 HydrophobicContact CZ-CD 4.45Å; F1450-K1530 HydrophobicContact CZ-CG 3.89Å; F1450-T1531 VanDerWaalsContact CD1-O 3.24Å; F1450-T1531 WeakPolarHBondContact CD1-O 3.45Å; F1450-T1531 VanDerWaalsContact CE1-O 3.23Å; F1450-T1531 WeakPolarHBondContact CE1-O 3.49Å; F1450-G1534 VanDerWaalsContact CE1-CA 3.46Å; F1450-Y1535 HydrophobicContact CE2-CD2 4.35Å; F1450-Y1535 AromaticContact CE2-CE2 3.73Å; F1450-Y1535 HydrophobicContact CE2-CE2 3.73Å; F1450-Y1535 AromaticContact CE2-CZ 3.98Å; F1450-Y1535 HydrophobicContact CZ-CD1 4.32Å; F1450-Y1535 AromaticContact CZ-CD2 3.91Å; F1450-Y1535 HydrophobicContact CZ-CD2 3.91Å; F1450-Y1535 AromaticContact CZ-CE1 3.98Å; F1450-Y1535 HydrophobicContact CZ-CE1 3.98Å; F1450-Y1535 AromaticContact CZ-CE2 3.53Å; F1450-Y1535 HydrophobicContact CZ-CE2 3.53Å; F1450-Y1535 HydrophobicContact CZ-CG 4.27Å; F1450-Y1535 AromaticContact CZ-CZ 3.54Å
1451	P	66.4	Low	62	Low	110 Å²	110	77.5 Å²	77.5	71%	0.714	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-35	-174.9	-28.3	36.6	0	0	0	114	R1447 F1453	R1447-P1451 WeakPolarHBondContact O-CA 3.23Å; P1451-F1453 VanDerWaalsContact C-N 3.31Å; P1451-F1453 PolarHBondContact O-N 3.29Å
1452	N	62.4	Low	62.3	Low	106 Å²	106	74.6 Å²	74.6	57%	0.567	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	5.8	-178	-63.2	-5.8	0	0	0	113.4	F1450 Q1454 E1532	F1450-N1452 PolarHBondContact O-N 3.32Å; F1450-N1452 VanDerWaalsContact O-N 3.17Å; N1452-Q1454 PolarHBondContact O-N 2.89Å; N1452-E1532 HydrophobicContact CB-CB 4.47Å; N1452-E1532 PolarHBondContact ND2-OE1 2.98Å
1453	F	68.6	Low	62.8	Low	16 Å²	16	75.4 Å²	75.4	7%	0.07	42%	0.419	C	S	.	.			trans	-66.7	98.9	-176.9	-164	-75.2	0	0	0	111.8	L1446 F1450 P1451 M1455 Y1465 T1468 Q1533	L1446-F1453 HydrophobicContact CD1-CE1 4.38Å; L1446-F1453 HydrophobicContact CD1-CZ 4.39Å; F1450-F1453 HydrophobicContact CB-CB 3.77Å; F1450-F1453 HydrophobicContact CB-CD2 4.25Å; F1450-F1453 HydrophobicContact CB-CG 4.48Å; F1450-F1453 HydrophobicContact CG-CD2 4.46Å; F1450-F1453 VanDerWaalsContact O-CB 3.27Å; F1450-F1453 WeakPolarHBondContact O-CB 3.19Å; F1450-F1453 PolarHBondContact O-N 3.22Å; P1451-F1453 VanDerWaalsContact C-N 3.31Å; P1451-F1453 PolarHBondContact O-N 3.29Å; F1453-M1455 PolarHBondContact O-N 3.09Å; F1453-Y1465 AromaticContact CE1-CD2 3.83Å; F1453-Y1465 HydrophobicContact CE1-CD2 3.83Å; F1453-Y1465 HydrophobicContact CZ-CD2 4.38Å; F1453-T1468 HydrophobicContact CE2-CG2 3.93Å; F1453-Q1533 VanDerWaalsContact CE2-O 3.23Å; F1453-Q1533 WeakPolarHBondContact CE2-O 3.33Å
1454	Q	62.4	Low	63.2	Low	136 Å²	136	77.4 Å²	77.4	64%	0.636	43%	0.427	S	S	*	.			trans	-74.2	94.5	-178.3	-171.2	-175.6	76.4	0	0	110.9	N1452	N1452-Q1454 PolarHBondContact O-N 2.89Å
1455	M	59	Low	63.5	Low	71 Å²	71	75.1 Å²	75.1	35%	0.35	41%	0.411	S	S	.	.			trans	-56.6	125.7	174	-78.7	-163.4	77.4	0	0	111.4	A1443 R1447 F1453 Y1465	A1443-M1455 HydrophobicContact CB-CE 3.86Å; A1443-M1455 HydrophobicContact CB-SD 3.37Å; A1443-M1455 WeakPolarHBondContact CB-SD 3.22Å; R1447-M1455 PolarHBondContact NH2-SD 3.47Å; F1453-M1455 PolarHBondContact O-N 3.09Å; M1455-Y1465 HydrophobicContact CE-CD2 4.22Å; M1455-Y1465 HydrophobicContact CE-CE2 3.62Å; M1455-Y1465 HydrophobicContact CG-CE2 4.31Å; M1455-Y1465 HydrophobicContact SD-CE2 4.29Å
1456	P	52.6	Low	63.9	Low	37 Å²	37	73.2 Å²	73.2	24%	0.24	40%	0.403	C	S	.	.			trans	-84.1	147.4	-172.9	33.9	-37.2	0	0	0	113	K1461	P1456-K1461 HydrophobicContact CB-CB 3.38Å; P1456-K1461 HydrophobicContact CB-CD 4.09Å; P1456-K1461 HydrophobicContact CB-CG 4.34Å; P1456-K1461 HydrophobicContact CG-CB 3.6Å
1457	S	49.7	Very low	64.7	Low	123 Å²	123	74.4 Å²	74.4	86%	0.86	41%	0.407	S	S	*	.	S	Bend	trans	-85.1	-21.7	-177.7	50.6	0	0	0	0	114.8
1458	K	42.1	Very low	65.2	Low	167 Å²	167	67.9 Å²	67.9	73%	0.726	38%	0.383	S	S	*	.	S	Bend	trans	-169.4	168.7	178	-110	156.8	-173.8	178.2	0	113.4	Q1460	K1458-Q1460 PolarHBondContact O-N 3.28Å
1459	G	51.4	Low	65.6	Low	74 Å²	74	65.8 Å²	65.8	76%	0.763	36%	0.36	S	S	*	.	S	Bend	trans	90.3	-82	152.5	0	0	0	0	0	116.5
1460	Q	50.8	Low	66.3	Low	136 Å²	136	64.5 Å²	64.5	64%	0.636	36%	0.355	S	S	*	.	S	Bend	trans	-129.2	-50.2	-157.4	-165.4	171.1	4.9	0	0	112.9	K1458 S1462 E1463 M1631	K1458-Q1460 PolarHBondContact O-N 3.28Å; Q1460-S1462 PolarHBondContact O-N 3.32Å; Q1460-E1463 PolarHBondContact O-N 2.68Å; Q1460-M1631 HydrophobicContact CG-SD 3.89Å
1461	K	54.7	Low	66.7	Low	80 Å²	80	64.2 Å²	64.2	35%	0.348	35%	0.354	S	S	.	.	H	α-helix	trans	-59.1	-14.1	174.6	-71.8	-174.4	177.3	-166.2	0	114	P1456 E1463 E1464 Y1465	P1456-K1461 HydrophobicContact CB-CB 3.38Å; P1456-K1461 HydrophobicContact CB-CD 4.09Å; P1456-K1461 HydrophobicContact CB-CG 4.34Å; P1456-K1461 HydrophobicContact CG-CB 3.6Å; K1461-E1463 VanDerWaalsContact C-N 3.29Å; K1461-E1463 PolarHBondContact O-N 3.35Å; K1461-E1464 WeakPolarHBondContact O-CB 3.46Å; K1461-E1464 PolarHBondContact O-N 2.86Å; K1461-E1464 VanDerWaalsContact O-N 3.1Å; K1461-Y1465 PolarHBondContact O-N 2.82Å; K1461-Y1465 VanDerWaalsContact O-N 3.08Å
1462	S	64.1	Low	67.6	Low	52 Å²	52	59.1 Å²	59.1	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	-65.8	-29.2	176.6	44.7	0	0	0	0	113.2	Q1460 E1464 I1466	Q1460-S1462 PolarHBondContact O-N 3.32Å; S1462-E1464 VanDerWaalsContact C-N 3.31Å; S1462-I1466 WeakPolarHBondContact O-CG1 3.4Å; S1462-I1466 PolarHBondContact O-N 2.94Å
1463	E	71.6	Confident	68.5	Low	37 Å²	37	58.2 Å²	58.2	17%	0.173	31%	0.313	C	S	.	.	H	α-helix	trans	-68.1	-34	170.2	-66.9	-159.2	168.2	0	0	111.4	Q1460 K1461 I1466 R1467 T1629 K1630 M1631 Y1632	Q1460-E1463 PolarHBondContact O-N 2.68Å; K1461-E1463 VanDerWaalsContact C-N 3.29Å; K1461-E1463 PolarHBondContact O-N 3.35Å; E1463-I1466 PolarHBondContact O-N 2.81Å; E1463-R1467 WeakPolarHBondContact O-CB 3.5Å; E1463-R1467 PolarHBondContact O-N 2.71Å; E1463-T1629 HydrophobicContact CB-CG2 3.76Å; E1463-T1629 HydrophobicContact CG-CG2 4.17Å; E1463-T1629 WeakPolarHBondContact O-CG2 3.3Å; E1463-T1629 WeakPolarHBondContact OE2-CA 3.44Å; E1463-T1629 WeakPolarHBondContact OE2-CB 3.2Å; E1463-K1630 PolarHBondContact OE1-N 3.47Å; E1463-K1630 PolarHBondContact OE2-N 2.93Å; E1463-M1631 WeakPolarHBondContact OE2-CB 3.23Å; E1463-M1631 PolarHBondContact OE2-N 3.34Å; E1463-Y1632 HydrophobicContact CB-CD2 4.41Å; E1463-Y1632 HydrophobicContact CB-CE2 3.99Å
1464	E	72.2	Confident	69.2	Low	50 Å²	50	57.7 Å²	57.7	23%	0.234	31%	0.311	C	S	.	.	H	α-helix	trans	-72.8	-32.1	-179.7	-163	157.1	-140.2	0	0	112.7	K1461 S1462 T1468 Y1632	K1461-E1464 WeakPolarHBondContact O-CB 3.46Å; K1461-E1464 PolarHBondContact O-N 2.86Å; K1461-E1464 VanDerWaalsContact O-N 3.1Å; S1462-E1464 VanDerWaalsContact C-N 3.31Å; E1464-T1468 WeakPolarHBondContact O-CB 3.39Å; E1464-T1468 PolarHBondContact O-N 3.35Å; E1464-T1468 PolarHBondContact O-OG1 2.78Å; E1464-Y1632 HydrophobicContact CB-CE2 4.38Å; E1464-Y1632 WeakPolarHBondContact CB-OH 3.28Å; E1464-Y1632 WeakPolarHBondContact CG-OH 3.24Å; E1464-Y1632 PolarHBondContact OE1-OH 3.37Å
1465	Y	75.7	Confident	70.3	Confident	21 Å²	21	51.2 Å²	51.2	8%	0.082	28%	0.28	C	S	.	.	H	α-helix	trans	-61.5	-46.8	166.1	175.7	-98.3	0	0	0	112.1	S1439 A1443 L1446 F1453 M1455 K1461 T1468 L1469	S1439-Y1465 PolarHBondContact O-OH 3.21Å; S1439-Y1465 VanDerWaalsContact O-OH 3.07Å; A1443-Y1465 WeakPolarHBondContact CA-OH 3.47Å; A1443-Y1465 PolarHBondContact N-OH 3.33Å; A1443-Y1465 VanDerWaalsContact N-OH 3.12Å; L1446-Y1465 HydrophobicContact CD1-CD2 3.45Å; L1446-Y1465 VanDerWaalsContact CD1-CD2 3.45Å; L1446-Y1465 HydrophobicContact CD1-CE2 3.37Å; L1446-Y1465 HydrophobicContact CD1-CG 4.33Å; F1453-Y1465 AromaticContact CE1-CD2 3.83Å; F1453-Y1465 HydrophobicContact CE1-CD2 3.83Å; F1453-Y1465 HydrophobicContact CZ-CD2 4.38Å; M1455-Y1465 HydrophobicContact CE-CD2 4.22Å; M1455-Y1465 HydrophobicContact CE-CE2 3.62Å; M1455-Y1465 HydrophobicContact CG-CE2 4.31Å; M1455-Y1465 HydrophobicContact SD-CE2 4.29Å; K1461-Y1465 PolarHBondContact O-N 2.82Å; K1461-Y1465 VanDerWaalsContact O-N 3.08Å; Y1465-T1468 PolarHBondContact O-N 2.95Å; Y1465-L1469 HydrophobicContact CD1-CD1 4.03Å; Y1465-L1469 HydrophobicContact CE1-CD1 3.51Å; Y1465-L1469 HydrophobicContact CE2-CD1 4.14Å; Y1465-L1469 PolarHBondContact O-N 3.05Å; Y1465-L1469 VanDerWaalsContact O-N 3.14Å
1466	I	78.2	Confident	71.4	Confident	45 Å²	45	50.6 Å²	50.6	23%	0.231	28%	0.276	C	S	.	.	H	α-helix	trans	-64.7	-45.9	177.3	-66.8	169.2	0	0	0	110.7	S1462 E1463 T1468 L1469 V1470 R1628 T1629	S1462-I1466 WeakPolarHBondContact O-CG1 3.4Å; S1462-I1466 PolarHBondContact O-N 2.94Å; E1463-I1466 PolarHBondContact O-N 2.81Å; I1466-T1468 PolarHBondContact O-N 3.42Å; I1466-L1469 PolarHBondContact O-N 3.32Å; I1466-V1470 HydrophobicContact CG2-CG2 4.38Å; I1466-V1470 WeakPolarHBondContact O-CG2 3.45Å; I1466-V1470 PolarHBondContact O-N 3.11Å; I1466-R1628 HydrophobicContact CG2-CB 3.94Å; I1466-T1629 HydrophobicContact CB-CG2 4.22Å; I1466-T1629 HydrophobicContact CG2-CG2 4.08Å
1467	R	85.3	Confident	72.6	Confident	26 Å²	26	52.2 Å²	52.2	10%	0.098	28%	0.28	C	S	.	.	H	α-helix	trans	-52	-53.8	173.7	179.8	-160.2	-174.5	-170.4	-0.2	111.1	E1463 L1469 V1470 L1471 L1625 Y1632 E1635	E1463-R1467 WeakPolarHBondContact O-CB 3.5Å; E1463-R1467 PolarHBondContact O-N 2.71Å; R1467-L1469 VanDerWaalsContact C-N 3.31Å; R1467-L1469 PolarHBondContact O-N 3.31Å; R1467-V1470 PolarHBondContact O-N 2.91Å; R1467-V1470 VanDerWaalsContact O-N 3.15Å; R1467-L1471 HydrophobicContact CG-CD1 3.84Å; R1467-L1471 HydrophobicContact CG-CG 4.4Å; R1467-L1471 WeakPolarHBondContact O-CG 3.4Å; R1467-L1471 PolarHBondContact O-N 3.22Å; R1467-L1625 HydrophobicContact CB-CD2 4.15Å; R1467-L1625 HydrophobicContact CG-CD2 3.99Å; R1467-Y1632 HydrophobicContact CB-CD2 3.91Å; R1467-Y1632 HydrophobicContact CB-CE2 4.05Å; R1467-Y1632 HydrophobicContact CB-CG 4.47Å; R1467-Y1632 HydrophobicContact CG-CD1 4.48Å; R1467-Y1632 HydrophobicContact CG-CD2 4.11Å; R1467-Y1632 HydrophobicContact CG-CE2 4.4Å; R1467-Y1632 HydrophobicContact CG-CG 4.17Å; R1467-E1635 IonicContact CZ-OE1 3.41Å; R1467-E1635 IonicContact CZ-OE2 3.42Å; R1467-E1635 IonicContact NE-OE1 3.89Å; R1467-E1635 PolarHBondContact NE-OE1 3.05Å; R1467-E1635 IonicContact NE-OE2 3.86Å; R1467-E1635 PolarHBondContact NE-OE2 3.44Å; R1467-E1635 VanDerWaalsContact NH2-CD 3.34Å; R1467-E1635 IonicContact NH2-OE1 3.43Å; R1467-E1635 PolarHBondContact NH2-OE1 3.39Å; R1467-E1635 IonicContact NH2-OE2 2.69Å; R1467-E1635 PolarHBondContact NH2-OE2 2.9Å
1468	T	83.3	Confident	73.8	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-63.5	-36.3	-175.9	-52.6	0	0	0	0	112	L1446 F1450 F1453 E1464 Y1465 I1466 L1472 Y1535	L1446-T1468 HydrophobicContact CD2-CG2 3.54Å; F1450-T1468 HydrophobicContact CD2-CG2 4.47Å; F1450-T1468 HydrophobicContact CE2-CG2 3.86Å; F1450-T1468 HydrophobicContact CZ-CG2 4.19Å; F1453-T1468 HydrophobicContact CE2-CG2 3.93Å; E1464-T1468 WeakPolarHBondContact O-CB 3.39Å; E1464-T1468 PolarHBondContact O-N 3.35Å; E1464-T1468 PolarHBondContact O-OG1 2.78Å; Y1465-T1468 PolarHBondContact O-N 2.95Å; I1466-T1468 PolarHBondContact O-N 3.42Å; T1468-L1472 WeakPolarHBondContact O-CB 3.17Å; T1468-L1472 PolarHBondContact O-N 3.08Å; T1468-Y1535 HydrophobicContact CG2-CD2 4.02Å; T1468-Y1535 HydrophobicContact CG2-CE2 4.43Å
1469	L	82.5	Confident	75.6	Confident	40 Å²	40	40.1 Å²	40.1	21%	0.209	21%	0.212	C	C	.	.	H	α-helix	trans	-64.6	-44.3	172.5	-90.8	155.6	0	0	0	113.4	A1442 L1446 Y1465 I1466 R1467 L1472 E1473	A1442-L1469 HydrophobicContact CB-CD1 3.78Å; A1442-L1469 HydrophobicContact CB-CD2 3.75Å; A1442-L1469 HydrophobicContact CB-CG 4.42Å; L1446-L1469 HydrophobicContact CD1-CD1 3.86Å; L1446-L1469 HydrophobicContact CD1-CD2 4.42Å; L1446-L1469 HydrophobicContact CD1-CG 3.66Å; L1446-L1469 HydrophobicContact CG-CD2 4.24Å; L1446-L1469 HydrophobicContact CG-CG 3.96Å; Y1465-L1469 HydrophobicContact CD1-CD1 4.03Å; Y1465-L1469 HydrophobicContact CE1-CD1 3.51Å; Y1465-L1469 HydrophobicContact CE2-CD1 4.14Å; Y1465-L1469 PolarHBondContact O-N 3.05Å; Y1465-L1469 VanDerWaalsContact O-N 3.14Å; I1466-L1469 PolarHBondContact O-N 3.32Å; R1467-L1469 VanDerWaalsContact C-N 3.31Å; R1467-L1469 PolarHBondContact O-N 3.31Å; L1469-L1472 PolarHBondContact O-N 3.45Å; L1469-E1473 PolarHBondContact O-N 3.27Å
1470	V	82.5	Confident	76.8	Confident	20 Å²	20	42.1 Å²	42.1	12%	0.121	20%	0.198	C	C	.	.	H	α-helix	trans	-66.4	-39.6	179.6	171.2	0	0	0	0	111	I1466 R1467 I1621 D1624 L1625	I1466-V1470 HydrophobicContact CG2-CG2 4.38Å; I1466-V1470 WeakPolarHBondContact O-CG2 3.45Å; I1466-V1470 PolarHBondContact O-N 3.11Å; R1467-V1470 PolarHBondContact O-N 2.91Å; R1467-V1470 VanDerWaalsContact O-N 3.15Å; V1470-I1621 HydrophobicContact CG1-CB 3.97Å; V1470-I1621 HydrophobicContact CG1-CG1 3.74Å; V1470-I1621 HydrophobicContact CG1-CG2 3.84Å; V1470-D1624 HydrophobicContact CG1-CB 4.4Å; V1470-D1624 HydrophobicContact CG2-CB 4.19Å; V1470-L1625 HydrophobicContact CG1-CG 4.32Å
1471	L	86.1	Confident	77.6	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-69.3	-36.2	174	-65.4	177.7	0	0	0	112.5	R1467 E1473 F1474 H1475 Y1535 M1538 I1621 W1639	R1467-L1471 HydrophobicContact CG-CD1 3.84Å; R1467-L1471 HydrophobicContact CG-CG 4.4Å; R1467-L1471 WeakPolarHBondContact O-CG 3.4Å; R1467-L1471 PolarHBondContact O-N 3.22Å; L1471-E1473 VanDerWaalsContact C-N 3.28Å; L1471-E1473 PolarHBondContact O-N 3.18Å; L1471-F1474 PolarHBondContact O-N 3.35Å; L1471-H1475 PolarHBondContact O-N 3.22Å; L1471-Y1535 HydrophobicContact CB-CD2 3.86Å; L1471-Y1535 HydrophobicContact CB-CG 4.35Å; L1471-M1538 HydrophobicContact CB-SD 3.91Å; L1471-M1538 HydrophobicContact CD2-SD 4.3Å; L1471-M1538 HydrophobicContact CG-SD 4.49Å; L1471-I1621 HydrophobicContact CD2-CG2 4.39Å; L1471-W1639 HydrophobicContact CD2-CZ2 3.65Å; L1471-W1639 VanDerWaalsContact CD2-NE1 3.26Å
1472	L	85.3	Confident	78.5	Confident	3 Å²	3	33 Å²	33	2%	0.016	16%	0.158	C	C	.	.	H	α-helix	trans	-59.9	-34.3	178.2	-179.7	63.4	0	0	0	112.5	E1445 L1446 Q1449 T1468 L1469 F1474 H1475 Q1476 Y1535	E1445-L1472 HydrophobicContact CG-CD2 4.25Å; L1446-L1472 HydrophobicContact CD2-CD2 4.18Å; Q1449-L1472 HydrophobicContact CB-CD1 4.43Å; Q1449-L1472 HydrophobicContact CG-CD1 3.79Å; Q1449-L1472 HydrophobicContact CG-CD2 4.06Å; T1468-L1472 WeakPolarHBondContact O-CB 3.17Å; T1468-L1472 PolarHBondContact O-N 3.08Å; L1469-L1472 PolarHBondContact O-N 3.45Å; L1472-F1474 VanDerWaalsContact C-N 3.35Å; L1472-F1474 PolarHBondContact O-N 3.24Å; L1472-H1475 PolarHBondContact O-N 2.95Å; L1472-Q1476 HydrophobicContact CD1-CG 4.13Å; L1472-Q1476 HydrophobicContact CG-CG 4.18Å; L1472-Q1476 WeakPolarHBondContact O-CG 3.44Å; L1472-Q1476 PolarHBondContact O-N 3.24Å; L1472-Y1535 HydrophobicContact CB-CE2 4.04Å; L1472-Y1535 HydrophobicContact CD1-CE2 4.01Å; L1472-Y1535 WeakPolarHBondContact CD1-OH 3.47Å
1473	E	80.6	Confident	78.8	Confident	88 Å²	88	38.9 Å²	38.9	41%	0.411	17%	0.172	S	C	.	.	H	α-helix	trans	-59.7	-44.4	176.7	180	165.7	-153.6	0	0	111.8	L1469 L1471 H1475 Q1476 K1477	L1469-E1473 PolarHBondContact O-N 3.27Å; L1471-E1473 VanDerWaalsContact C-N 3.28Å; L1471-E1473 PolarHBondContact O-N 3.18Å; E1473-H1475 VanDerWaalsContact C-N 3.33Å; E1473-H1475 PolarHBondContact O-N 2.81Å; E1473-Q1476 PolarHBondContact O-N 2.83Å; E1473-K1477 HydrophobicContact CG-CD 4.44Å; E1473-K1477 HydrophobicContact CG-CG 4.33Å; E1473-K1477 WeakPolarHBondContact O-CG 3.36Å; E1473-K1477 PolarHBondContact O-N 3.3Å; E1473-K1477 WeakPolarHBondContact OE1-CE 3.31Å; E1473-K1477 IonicContact OE1-NZ 3.12Å; E1473-K1477 PolarHBondContact OE1-NZ 3.12Å
1474	F	83.1	Confident	78.6	Confident	4 Å²	4	37.7 Å²	37.7	2%	0.018	17%	0.167	C	C	.	.	H	α-helix	trans	-61.1	-43.5	177.9	-169.6	-92.3	0	0	0	111.5	L1471 L1472 K1477 T1478 I1526 M1538 V1542 L1614 I1617 I1621 W1639	L1471-F1474 PolarHBondContact O-N 3.35Å; L1472-F1474 VanDerWaalsContact C-N 3.35Å; L1472-F1474 PolarHBondContact O-N 3.24Å; F1474-K1477 PolarHBondContact O-N 3.41Å; F1474-T1478 HydrophobicContact CD1-CG2 4.26Å; F1474-T1478 HydrophobicContact CE1-CG2 3.97Å; F1474-T1478 HydrophobicContact CZ-CG2 4.38Å; F1474-T1478 PolarHBondContact O-N 3.43Å; F1474-T1478 VanDerWaalsContact O-N 3.08Å; F1474-T1478 PolarHBondContact O-OG1 3.2Å; F1474-I1526 HydrophobicContact CD1-CD1 4.01Å; F1474-I1526 HydrophobicContact CE1-CD1 3.89Å; F1474-M1538 HydrophobicContact CB-CE 4.05Å; F1474-M1538 HydrophobicContact CD1-CE 3.62Å; F1474-M1538 HydrophobicContact CG-CE 4.22Å; F1474-V1542 HydrophobicContact CE1-CG1 4.44Å; F1474-V1542 HydrophobicContact CE1-CG2 4.47Å; F1474-V1542 HydrophobicContact CZ-CG1 4.46Å; F1474-L1614 HydrophobicContact CE2-CD2 4.36Å; F1474-L1614 HydrophobicContact CE2-CG 4.28Å; F1474-L1614 HydrophobicContact CZ-CD2 4.27Å; F1474-I1617 HydrophobicContact CD2-CG2 3.97Å; F1474-I1621 HydrophobicContact CB-CD1 3.72Å; F1474-I1621 HydrophobicContact CD2-CD1 4.18Å; F1474-I1621 HydrophobicContact CG-CD1 4.37Å; F1474-W1639 HydrophobicContact CB-CH2 4.21Å; F1474-W1639 AromaticContact CD1-CH2 3.88Å; F1474-W1639 HydrophobicContact CD1-CH2 3.88Å; F1474-W1639 AromaticContact CD2-CH2 3.81Å; F1474-W1639 HydrophobicContact CD2-CH2 3.81Å; F1474-W1639 AromaticContact CD2-CZ3 3.76Å; F1474-W1639 HydrophobicContact CD2-CZ3 3.76Å; F1474-W1639 HydrophobicContact CE1-CH2 4.13Å; F1474-W1639 HydrophobicContact CE2-CH2 4.08Å; F1474-W1639 AromaticContact CE2-CZ3 3.79Å; F1474-W1639 HydrophobicContact CE2-CZ3 3.79Å; F1474-W1639 AromaticContact CG-CH2 3.7Å; F1474-W1639 HydrophobicContact CG-CH2 3.7Å; F1474-W1639 HydrophobicContact CG-CZ3 4.16Å; F1474-W1639 HydrophobicContact CZ-CH2 4.23Å; F1474-W1639 HydrophobicContact CZ-CZ3 4.2Å
1475	H	85	Confident	78.2	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-67.1	-41.6	179.5	-168.1	-163.2	0	0	0	112	L1471 L1472 E1473 K1477 T1478 Q1479 I1526 D1527 Y1535 M1538	L1471-H1475 PolarHBondContact O-N 3.22Å; L1472-H1475 PolarHBondContact O-N 2.95Å; E1473-H1475 VanDerWaalsContact C-N 3.33Å; E1473-H1475 PolarHBondContact O-N 2.81Å; H1475-K1477 PolarHBondContact O-N 3.15Å; H1475-T1478 WeakPolarHBondContact CA-OG1 3.46Å; H1475-T1478 PolarHBondContact O-N 2.96Å; H1475-T1478 PolarHBondContact O-OG1 2.65Å; H1475-Q1479 PolarHBondContact CE1-NE2 2.73Å; H1475-Q1479 WeakPolarHBondContact NE2-CG 3.44Å; H1475-Q1479 PolarHBondContact NE2-NE2 3.34Å; H1475-Q1479 WeakPolarHBondContact O-CB 3.31Å; H1475-Q1479 WeakPolarHBondContact O-CG 3.22Å; H1475-Q1479 PolarHBondContact O-N 3.3Å; H1475-I1526 HydrophobicContact CB-CG2 3.95Å; H1475-I1526 VanDerWaalsContact CD2-CG2 3.43Å; H1475-I1526 WeakPolarHBondContact CD2-CG2 3.41Å; H1475-I1526 VanDerWaalsContact CG-CG2 3.46Å; H1475-D1527 IonicContact CE1-OD1 2.95Å; H1475-D1527 PolarHBondContact CE1-OD1 3.16Å; H1475-D1527 IonicContact NE2-OD1 2.76Å; H1475-D1527 IonicContact NE2-OD2 3.79Å; H1475-Y1535 AromaticContact ND1-CE1 3.55Å; H1475-Y1535 AromaticContact ND1-CZ 3.49Å; H1475-Y1535 PolarHBondContact ND1-OH 3.44Å; H1475-M1538 HydrophobicContact CB-CE 4.34Å
1476	Q	82.8	Confident	77.8	Confident	57 Å²	57	39.9 Å²	39.9	27%	0.266	18%	0.176	S	C	.	.	H	α-helix	trans	-62	-41.5	174.5	-73.1	-171.7	8.5	0	0	112.8	E1445 L1472 E1473 Y1480	E1445-Q1476 PolarHBondContact OE1-NE2 3.23Å; L1472-Q1476 HydrophobicContact CD1-CG 4.13Å; L1472-Q1476 HydrophobicContact CG-CG 4.18Å; L1472-Q1476 WeakPolarHBondContact O-CG 3.44Å; L1472-Q1476 PolarHBondContact O-N 3.24Å; E1473-Q1476 PolarHBondContact O-N 2.83Å; Q1476-Y1480 VanDerWaalsContact O-CB 3.24Å; Q1476-Y1480 WeakPolarHBondContact O-CB 3.38Å; Q1476-Y1480 PolarHBondContact O-N 3.18Å
1477	K	77	Confident	77	Confident	72 Å²	72	43 Å²	43	31%	0.313	19%	0.189	S	C	.	.	H	α-helix	trans	-65.5	-38.6	178.2	-64.8	-28.5	-173.8	-141.7	0	112.1	E1473 F1474 H1475 M1481 L1610 I1617	E1473-K1477 HydrophobicContact CG-CD 4.44Å; E1473-K1477 HydrophobicContact CG-CG 4.33Å; E1473-K1477 WeakPolarHBondContact O-CG 3.36Å; E1473-K1477 PolarHBondContact O-N 3.3Å; E1473-K1477 WeakPolarHBondContact OE1-CE 3.31Å; E1473-K1477 IonicContact OE1-NZ 3.12Å; E1473-K1477 PolarHBondContact OE1-NZ 3.12Å; F1474-K1477 PolarHBondContact O-N 3.41Å; H1475-K1477 PolarHBondContact O-N 3.15Å; K1477-M1481 PolarHBondContact O-N 2.6Å; K1477-M1481 VanDerWaalsContact O-N 3.12Å; K1477-L1610 HydrophobicContact CB-CD2 3.92Å; K1477-I1617 HydrophobicContact CG-CD1 3.98Å
1478	T	75.6	Confident	75.7	Confident	2 Å²	2	42 Å²	42	1%	0.012	19%	0.186	C	C	.	.	H	α-helix	trans	-72.8	-43.5	177.9	46.4	0	0	0	0	112.1	F1474 H1475 Y1480 M1481 V1482 L1522	F1474-T1478 HydrophobicContact CD1-CG2 4.26Å; F1474-T1478 HydrophobicContact CE1-CG2 3.97Å; F1474-T1478 HydrophobicContact CZ-CG2 4.38Å; F1474-T1478 PolarHBondContact O-N 3.43Å; F1474-T1478 VanDerWaalsContact O-N 3.08Å; F1474-T1478 PolarHBondContact O-OG1 3.2Å; H1475-T1478 WeakPolarHBondContact CA-OG1 3.46Å; H1475-T1478 PolarHBondContact O-N 2.96Å; H1475-T1478 PolarHBondContact O-OG1 2.65Å; T1478-Y1480 VanDerWaalsContact C-N 3.35Å; T1478-Y1480 PolarHBondContact O-N 2.76Å; T1478-M1481 WeakPolarHBondContact O-CB 3.44Å; T1478-M1481 PolarHBondContact O-N 3.18Å; T1478-M1481 VanDerWaalsContact O-N 3.15Å; T1478-V1482 PolarHBondContact O-N 3.5Å; T1478-L1522 HydrophobicContact CG2-CD2 4.12Å
1479	Q	79.1	Confident	74.4	Confident	33 Å²	33	44.6 Å²	44.6	15%	0.154	20%	0.198	C	C	.	.	H	α-helix	trans	-61.2	-39.6	171	-74.8	-164.1	-3.1	0	0	112.8	H1475 M1481 V1482 R1483 V1523	H1475-Q1479 PolarHBondContact CE1-NE2 2.73Å; H1475-Q1479 WeakPolarHBondContact NE2-CG 3.44Å; H1475-Q1479 PolarHBondContact NE2-NE2 3.34Å; H1475-Q1479 WeakPolarHBondContact O-CB 3.31Å; H1475-Q1479 WeakPolarHBondContact O-CG 3.22Å; H1475-Q1479 PolarHBondContact O-N 3.3Å; Q1479-M1481 VanDerWaalsContact C-N 3.3Å; Q1479-M1481 PolarHBondContact O-N 2.79Å; Q1479-V1482 PolarHBondContact O-N 3.06Å; Q1479-R1483 WeakPolarHBondContact O-CB 3.45Å; Q1479-R1483 WeakPolarHBondContact O-CG 3.33Å; Q1479-R1483 PolarHBondContact O-N 2.85Å; Q1479-V1523 HydrophobicContact CG-CG1 3.99Å; Q1479-V1523 HydrophobicContact CG-CG2 4.44Å
1480	Y	77.5	Confident	73.1	Confident	116 Å²	116	47 Å²	47	46%	0.455	21%	0.205	S	C	.	.	H	α-helix	trans	-60.3	-40.5	174.1	175.1	-93.7	0	0	0	111.1	Q1476 T1478 R1483 H1484 Q1606	Q1476-Y1480 VanDerWaalsContact O-CB 3.24Å; Q1476-Y1480 WeakPolarHBondContact O-CB 3.38Å; Q1476-Y1480 PolarHBondContact O-N 3.18Å; T1478-Y1480 VanDerWaalsContact C-N 3.35Å; T1478-Y1480 PolarHBondContact O-N 2.76Å; Y1480-R1483 PolarHBondContact O-N 3.21Å; Y1480-H1484 HydrophobicContact CE1-CB 4.29Å; Y1480-H1484 WeakPolarHBondContact O-CB 3.24Å; Y1480-H1484 PolarHBondContact O-N 3.42Å; Y1480-Q1606 PolarHBondContact OH-OE1 3.43Å
1481	M	67.4	Low	71.6	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-63	-48.1	172.2	-82.1	-74.5	89.6	0	0	112.5	K1477 T1478 Q1479 R1483 H1484 L1485 Q1606 L1610	K1477-M1481 PolarHBondContact O-N 2.6Å; K1477-M1481 VanDerWaalsContact O-N 3.12Å; T1478-M1481 WeakPolarHBondContact O-CB 3.44Å; T1478-M1481 PolarHBondContact O-N 3.18Å; T1478-M1481 VanDerWaalsContact O-N 3.15Å; Q1479-M1481 VanDerWaalsContact C-N 3.3Å; Q1479-M1481 PolarHBondContact O-N 2.79Å; M1481-R1483 VanDerWaalsContact C-N 3.32Å; M1481-R1483 PolarHBondContact O-N 3.19Å; M1481-H1484 HydrophobicContact CE-CB 4.26Å; M1481-H1484 PolarHBondContact O-N 2.86Å; M1481-L1485 VanDerWaalsContact O-CB 3.23Å; M1481-L1485 WeakPolarHBondContact O-CB 3.05Å; M1481-L1485 WeakPolarHBondContact O-CG 3.24Å; M1481-L1485 PolarHBondContact O-N 3.09Å; M1481-Q1606 HydrophobicContact CE-CB 4.18Å; M1481-L1610 HydrophobicContact CE-CD1 3.86Å; M1481-L1610 HydrophobicContact CG-CB 4.22Å; M1481-L1610 HydrophobicContact CG-CD1 3.98Å; M1481-L1610 HydrophobicContact CG-CD2 3.71Å; M1481-L1610 HydrophobicContact CG-CG 4.16Å; M1481-L1610 HydrophobicContact SD-CB 4.22Å; M1481-L1610 HydrophobicContact SD-CD1 3.88Å; M1481-L1610 HydrophobicContact SD-CG 4.43Å
1482	V	74	Confident	70	Confident	23 Å²	23	49.8 Å²	49.8	14%	0.139	22%	0.218	C	C	.	.	H	α-helix	trans	-59.5	-43	177.3	175.7	0	0	0	0	111.5	T1478 Q1479 K1486 F1519 R1520 V1523	T1478-V1482 PolarHBondContact O-N 3.5Å; Q1479-V1482 PolarHBondContact O-N 3.06Å; V1482-K1486 VanDerWaalsContact O-CB 3.32Å; V1482-K1486 WeakPolarHBondContact O-CB 3.29Å; V1482-K1486 PolarHBondContact O-N 2.98Å; V1482-F1519 HydrophobicContact CG2-CB 3.8Å; V1482-F1519 WeakPolarHBondContact CG2-O 3.41Å; V1482-R1520 HydrophobicContact CG1-CG 3.88Å; V1482-R1520 HydrophobicContact CG2-CG 4.49Å; V1482-V1523 HydrophobicContact CG2-CB 4.26Å; V1482-V1523 HydrophobicContact CG2-CG2 3.67Å
1483	R	70.6	Confident	68.2	Low	177 Å²	177	56.2 Å²	56.2	67%	0.668	25%	0.252	S	S	*	.	H	α-helix	trans	-66.7	-46.2	178	-73.6	-179.1	178.3	159.9	4.5	112.8	Q1479 Y1480 M1481 L1485 K1486 Q1487	Q1479-R1483 WeakPolarHBondContact O-CB 3.45Å; Q1479-R1483 WeakPolarHBondContact O-CG 3.33Å; Q1479-R1483 PolarHBondContact O-N 2.85Å; Y1480-R1483 PolarHBondContact O-N 3.21Å; M1481-R1483 VanDerWaalsContact C-N 3.32Å; M1481-R1483 PolarHBondContact O-N 3.19Å; R1483-L1485 VanDerWaalsContact C-N 3.34Å; R1483-K1486 PolarHBondContact O-N 3.32Å; R1483-Q1487 PolarHBondContact O-N 2.92Å
1484	H	66.5	Low	66.7	Low	12 Å²	12	60.3 Å²	60.3	6%	0.056	26%	0.264	C	S	.	.	H	α-helix	trans	-67.9	-36.1	178.4	-172.6	22.8	0	0	0	111.2	Y1480 M1481 Q1487 Y1488 Q1606	Y1480-H1484 HydrophobicContact CE1-CB 4.29Å; Y1480-H1484 WeakPolarHBondContact O-CB 3.24Å; Y1480-H1484 PolarHBondContact O-N 3.42Å; M1481-H1484 HydrophobicContact CE-CB 4.26Å; M1481-H1484 PolarHBondContact O-N 2.86Å; H1484-Q1487 PolarHBondContact ND1-OE1 2.92Å; H1484-Q1487 VanDerWaalsContact O-CB 3.24Å; H1484-Q1487 WeakPolarHBondContact O-CB 3.41Å; H1484-Q1487 PolarHBondContact O-N 2.88Å; H1484-Y1488 AromaticContact CE1-CZ 3.98Å; H1484-Y1488 PolarHBondContact CE1-OH 3.19Å; H1484-Y1488 WeakPolarHBondContact O-CE2 3.36Å; H1484-Q1606 PolarHBondContact CD2-OE1 3.28Å; H1484-Q1606 VanDerWaalsContact NE2-CD 3.28Å; H1484-Q1606 PolarHBondContact NE2-NE2 3.42Å; H1484-Q1606 PolarHBondContact NE2-OE1 3.27Å
1485	L	64.3	Low	65.1	Low	1 Å²	1	67.9 Å²	67.9	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-72.3	-31.7	175	-64.5	-177.4	0	0	0	113.1	M1481 R1483 Q1487 Y1488 I1516 F1519 M1607	M1481-L1485 VanDerWaalsContact O-CB 3.23Å; M1481-L1485 WeakPolarHBondContact O-CB 3.05Å; M1481-L1485 WeakPolarHBondContact O-CG 3.24Å; M1481-L1485 PolarHBondContact O-N 3.09Å; R1483-L1485 VanDerWaalsContact C-N 3.34Å; L1485-Q1487 PolarHBondContact O-N 3.44Å; L1485-Y1488 HydrophobicContact CD2-CD2 4.03Å; L1485-Y1488 HydrophobicContact CD2-CE2 4.13Å; L1485-Y1488 PolarHBondContact O-N 2.87Å; L1485-I1516 HydrophobicContact CB-CD1 4.28Å; L1485-I1516 HydrophobicContact CB-CG1 3.79Å; L1485-I1516 HydrophobicContact CD1-CG1 4.33Å; L1485-F1519 HydrophobicContact CD1-CD2 3.82Å; L1485-F1519 HydrophobicContact CD1-CE2 4.26Å; L1485-M1607 HydrophobicContact CD1-CE 3.92Å; L1485-M1607 HydrophobicContact CD2-CE 3.34Å; L1485-M1607 HydrophobicContact CD2-CG 3.85Å; L1485-M1607 HydrophobicContact CD2-SD 4.42Å; L1485-M1607 HydrophobicContact CG-CE 4.28Å
1486	K	66.2	Low	63.9	Low	116 Å²	116	70.9 Å²	70.9	50%	0.504	30%	0.303	S	S	.	.	H	α-helix	trans	-62.6	-23.1	169.5	-160.4	173.8	-172	178	0	112.3	V1482 R1483 Y1488 E1489	V1482-K1486 VanDerWaalsContact O-CB 3.32Å; V1482-K1486 WeakPolarHBondContact O-CB 3.29Å; V1482-K1486 PolarHBondContact O-N 2.98Å; R1483-K1486 PolarHBondContact O-N 3.32Å; K1486-Y1488 PolarHBondContact O-N 3.02Å; K1486-E1489 WeakPolarHBondContact CE-OE2 3.45Å; K1486-E1489 HydrophobicContact CG-CB 4.39Å; K1486-E1489 VanDerWaalsContact CG-OE2 3.23Å; K1486-E1489 WeakPolarHBondContact CG-OE2 3.12Å; K1486-E1489 WeakPolarHBondContact O-CB 3.45Å; K1486-E1489 PolarHBondContact O-N 2.96Å; K1486-E1489 VanDerWaalsContact O-N 3.07Å
1487	Q	61.9	Low	63	Low	109 Å²	109	70.3 Å²	70.3	51%	0.509	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-13.1	169	-58.6	171.5	-5.8	0	0	113	R1483 H1484 L1485 Y1490	R1483-Q1487 PolarHBondContact O-N 2.92Å; H1484-Q1487 PolarHBondContact ND1-OE1 2.92Å; H1484-Q1487 VanDerWaalsContact O-CB 3.24Å; H1484-Q1487 WeakPolarHBondContact O-CB 3.41Å; H1484-Q1487 PolarHBondContact O-N 2.88Å; L1485-Q1487 PolarHBondContact O-N 3.44Å; Q1487-Y1490 WeakPolarHBondContact O-CD1 3.34Å; Q1487-Y1490 WeakPolarHBondContact O-CE1 3.42Å
1488	Y	58.4	Low	62.5	Low	6 Å²	6	73.2 Å²	73.2	2%	0.024	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	2.9	172.1	-53.8	-67.4	0	0	0	113.7	H1484 L1485 K1486 Y1490 L1491 V1599 L1600 G1603	H1484-Y1488 AromaticContact CE1-CZ 3.98Å; H1484-Y1488 PolarHBondContact CE1-OH 3.19Å; H1484-Y1488 WeakPolarHBondContact O-CE2 3.36Å; L1485-Y1488 HydrophobicContact CD2-CD2 4.03Å; L1485-Y1488 HydrophobicContact CD2-CE2 4.13Å; L1485-Y1488 PolarHBondContact O-N 2.87Å; K1486-Y1488 PolarHBondContact O-N 3.02Å; Y1488-Y1490 PolarHBondContact O-N 2.82Å; Y1488-L1491 HydrophobicContact CD1-CD1 3.85Å; Y1488-L1491 WeakPolarHBondContact O-CB 3.4Å; Y1488-L1491 PolarHBondContact O-N 2.8Å; Y1488-V1599 VanDerWaalsContact CE1-C 3.4Å; Y1488-V1599 HydrophobicContact CE1-CB 4.02Å; Y1488-V1599 HydrophobicContact CE1-CG1 3.64Å; Y1488-V1599 WeakPolarHBondContact CE1-O 3.38Å; Y1488-V1599 VanDerWaalsContact CZ-O 3.28Å; Y1488-V1599 PolarHBondContact OH-O 3.22Å; Y1488-L1600 HydrophobicContact CD1-CD2 4.1Å; Y1488-L1600 HydrophobicContact CD1-CG 4.43Å; Y1488-G1603 WeakPolarHBondContact OH-CA 3.38Å; Y1488-G1603 PolarHBondContact OH-N 3.29Å
1489	E	55.8	Low	62.1	Low	55 Å²	55	80.2 Å²	80.2	26%	0.257	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-61.4	-32.4	-178.6	-162.2	158.2	-114.9	0	0	111.7	K1486 L1491 L1492 L1493 R1520	K1486-E1489 WeakPolarHBondContact CE-OE2 3.45Å; K1486-E1489 HydrophobicContact CG-CB 4.39Å; K1486-E1489 VanDerWaalsContact CG-OE2 3.23Å; K1486-E1489 WeakPolarHBondContact CG-OE2 3.12Å; K1486-E1489 WeakPolarHBondContact O-CB 3.45Å; K1486-E1489 PolarHBondContact O-N 2.96Å; K1486-E1489 VanDerWaalsContact O-N 3.07Å; E1489-L1491 PolarHBondContact O-N 3Å; E1489-L1492 WeakPolarHBondContact O-CB 3.35Å; E1489-L1492 PolarHBondContact O-N 2.98Å; E1489-L1493 HydrophobicContact CG-CD1 4.37Å; E1489-L1493 WeakPolarHBondContact O-CG 3.2Å; E1489-L1493 PolarHBondContact O-N 2.96Å; E1489-R1520 IonicContact OE1-CZ 3.36Å; E1489-R1520 IonicContact OE1-NH1 2.81Å; E1489-R1520 PolarHBondContact OE1-NH1 3.35Å; E1489-R1520 IonicContact OE1-NH2 3.07Å; E1489-R1520 PolarHBondContact OE1-NH2 2.94Å; E1489-R1520 IonicContact OE2-NH2 3.73Å
1490	Y	55	Low	61.7	Low	91 Å²	91	79 Å²	79	36%	0.357	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-66.9	-18.9	174.9	77.7	-99.1	0	0	0	114.5	Q1487 Y1488 L1492 H1595 N1596	Q1487-Y1490 WeakPolarHBondContact O-CD1 3.34Å; Q1487-Y1490 WeakPolarHBondContact O-CE1 3.42Å; Y1488-Y1490 PolarHBondContact O-N 2.82Å; Y1490-L1492 VanDerWaalsContact C-N 3.31Å; Y1490-H1595 HydrophobicContact CE1-CB 4.31Å; Y1490-H1595 HydrophobicContact CE2-CB 4.11Å; Y1490-H1595 WeakPolarHBondContact OH-CB 3.18Å; Y1490-H1595 PolarHBondContact OH-O 3.33Å; Y1490-N1596 VanDerWaalsContact CE2-OD1 3.29Å; Y1490-N1596 WeakPolarHBondContact CE2-OD1 3.4Å
1491	L	52	Low	61.3	Low	16 Å²	16	75 Å²	75	8%	0.084	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-80.3	-14.7	172.5	-86.8	142.2	0	0	0	113	Y1488 E1489 N1596 L1600	Y1488-L1491 HydrophobicContact CD1-CD1 3.85Å; Y1488-L1491 WeakPolarHBondContact O-CB 3.4Å; Y1488-L1491 PolarHBondContact O-N 2.8Å; E1489-L1491 PolarHBondContact O-N 3Å; L1491-N1596 HydrophobicContact CD2-CB 4.16Å; L1491-N1596 VanDerWaalsContact CD2-CG 3.49Å; L1491-N1596 VanDerWaalsContact CD2-OD1 3.31Å; L1491-N1596 WeakPolarHBondContact CD2-OD1 3.3Å; L1491-L1600 HydrophobicContact CD1-CD1 4Å; L1491-L1600 HydrophobicContact CD1-CD2 3.99Å; L1491-L1600 HydrophobicContact CD1-CG 3.65Å; L1491-L1600 HydrophobicContact CD2-CD1 3.79Å; L1491-L1600 HydrophobicContact CD2-CG 4.4Å
1492	L	52.9	Low	61.3	Low	62 Å²	62	82.4 Å²	82.4	33%	0.325	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-28.7	177.7	-54.9	173.2	0	0	0	111	E1489 Y1490 R1494 I1512 P1513 I1516	E1489-L1492 WeakPolarHBondContact O-CB 3.35Å; E1489-L1492 PolarHBondContact O-N 2.98Å; Y1490-L1492 VanDerWaalsContact C-N 3.31Å; L1492-R1494 VanDerWaalsContact C-N 3.31Å; L1492-R1494 PolarHBondContact O-N 2.8Å; L1492-I1512 HydrophobicContact CD1-CG2 4.47Å; L1492-P1513 HydrophobicContact CD1-CB 4.32Å; L1492-P1513 HydrophobicContact CD1-CG 3.87Å; L1492-P1513 HydrophobicContact CD2-CG 3.89Å; L1492-P1513 HydrophobicContact CG-CG 4.42Å; L1492-I1516 HydrophobicContact CD1-CD1 4.04Å
1493	L	45.9	Very low	61.1	Low	138 Å²	138	81.4 Å²	81.4	72%	0.723	37%	0.372	S	S	*	.	S	Bend	trans	-73.6	-10.3	-179.9	-73.1	167.8	0	0	0	115.4	E1489	E1489-L1493 HydrophobicContact CG-CD1 4.37Å; E1489-L1493 WeakPolarHBondContact O-CG 3.2Å; E1489-L1493 PolarHBondContact O-N 2.96Å
1494	R	49.1	Very low	60.9	Low	175 Å²	175	73.4 Å²	73.4	66%	0.66	34%	0.344	S	S	*	.	S	Bend	trans	-104.1	123.3	165.7	-80.9	-169.2	171.8	-156.2	-4	109.8	L1492 W1496	L1492-R1494 VanDerWaalsContact C-N 3.31Å; L1492-R1494 PolarHBondContact O-N 2.8Å; R1494-W1496 PolarHBondContact O-N 3.29Å
1495	R	49.2	Very low	60.8	Low	162 Å²	162	79.8 Å²	79.8	61%	0.611	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-56.4	130.9	164.6	-76.9	-165.1	179.6	113.5	24.3	109.3	C2493	R1495-C2493 PolarHBondContact NH2-SG 3.17Å
1496	W	61.4	Low	60.6	Low	64 Å²	64	83.3 Å²	83.3	24%	0.242	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-68.1	138.3	167	-78.1	63.8	0	0	0	108.8	R1494 V1498 H1500 L1503 L1507 L1509 I1587 L1591	R1494-W1496 PolarHBondContact O-N 3.29Å; W1496-V1498 PolarHBondContact O-N 3.2Å; W1496-H1500 HydrophobicContact CE3-CB 4.18Å; W1496-L1503 HydrophobicContact CZ3-CB 4.41Å; W1496-L1503 HydrophobicContact CZ3-CD2 4.2Å; W1496-L1507 HydrophobicContact CH2-CD1 4.42Å; W1496-L1509 HydrophobicContact CH2-CD1 3.93Å; W1496-L1509 HydrophobicContact CZ2-CD1 3.28Å; W1496-I1587 HydrophobicContact CZ3-CD1 3.95Å; W1496-L1591 HydrophobicContact CH2-CD2 4.08Å
1497	P	62.4	Low	60.4	Low	46 Å²	46	79.2 Å²	79.2	30%	0.299	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-54.1	140.6	170.9	-25.4	34.7	0	0	0	110.5	E1499 H1500 A1501 L1590	P1497-E1499 PolarHBondContact O-N 3.15Å; P1497-H1500 CarbonylContact O-C 3.13Å; P1497-H1500 WeakPolarHBondContact O-CA 3.18Å; P1497-H1500 PolarHBondContact O-N 2.79Å; P1497-A1501 PolarHBondContact O-N 2.8Å; P1497-L1590 HydrophobicContact CG-CD1 3.72Å
1498	V	67.6	Low	60.4	Low	132 Å²	132	75.3 Å²	75.3	80%	0.8	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-57.7	-38.5	-174.8	-174.7	0	0	0	0	111	W1496 H1500 A1501	W1496-V1498 PolarHBondContact O-N 3.2Å; V1498-H1500 PolarHBondContact O-N 2.85Å; V1498-H1500 VanDerWaalsContact O-N 3.09Å; V1498-A1501 WeakPolarHBondContact O-CB 3.48Å; V1498-A1501 PolarHBondContact O-N 3.21Å; V1498-A1501 VanDerWaalsContact O-N 3.09Å
1499	E	65.9	Low	60.6	Low	150 Å²	150	75.6 Å²	75.6	70%	0.701	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-53.3	-26.4	173.4	-63.9	160.9	-103.3	0	0	113.7	P1497 Y1580	P1497-E1499 PolarHBondContact O-N 3.15Å; E1499-Y1580 PolarHBondContact O-OH 3.49Å
1500	H	72.1	Confident	61.1	Low	6 Å²	6	76.2 Å²	76.2	3%	0.028	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-109.6	4.2	-178.1	-55.2	-31.8	0	0	0	114.3	W1496 P1497 V1498 K1502 L1503 S1504 Y1580 D1586 I1587	W1496-H1500 HydrophobicContact CE3-CB 4.18Å; P1497-H1500 CarbonylContact O-C 3.13Å; P1497-H1500 WeakPolarHBondContact O-CA 3.18Å; P1497-H1500 PolarHBondContact O-N 2.79Å; V1498-H1500 PolarHBondContact O-N 2.85Å; V1498-H1500 VanDerWaalsContact O-N 3.09Å; H1500-K1502 PolarHBondContact O-N 3.48Å; H1500-K1502 VanDerWaalsContact O-N 3.07Å; H1500-L1503 WeakPolarHBondContact O-CA 3.35Å; H1500-L1503 WeakPolarHBondContact O-CB 3.28Å; H1500-L1503 PolarHBondContact O-N 2.95Å; H1500-S1504 PolarHBondContact O-N 2.95Å; H1500-Y1580 AromaticContact ND1-CE1 3.75Å; H1500-Y1580 AromaticContact ND1-CZ 3.84Å; H1500-Y1580 PolarHBondContact ND1-OH 2.95Å; H1500-D1586 IonicContact CE1-OD2 3.21Å; H1500-D1586 PolarHBondContact CE1-OD2 2.87Å; H1500-D1586 IonicContact NE2-OD2 3.19Å; H1500-D1586 PolarHBondContact NE2-OD2 3.49Å; H1500-I1587 HydrophobicContact CB-CD1 3.8Å; H1500-I1587 VanDerWaalsContact CD2-CD1 3.45Å; H1500-I1587 WeakPolarHBondContact CD2-CD1 3.4Å; H1500-I1587 VanDerWaalsContact CD2-CG1 3.42Å; H1500-I1587 WeakPolarHBondContact CD2-CG1 3.25Å; H1500-I1587 VanDerWaalsContact CG-CD1 3.5Å
1501	A	69.3	Low	61.6	Low	34 Å²	34	74.4 Å²	74.4	28%	0.281	36%	0.359	S	S	.	.	H	α-helix	trans	-58.6	-23	176.2	0	0	0	0	0	112.9	P1497 V1498 L1503 S1504 K1505	P1497-A1501 PolarHBondContact O-N 2.8Å; V1498-A1501 WeakPolarHBondContact O-CB 3.48Å; V1498-A1501 PolarHBondContact O-N 3.21Å; V1498-A1501 VanDerWaalsContact O-N 3.09Å; A1501-L1503 VanDerWaalsContact C-N 3.3Å; A1501-L1503 PolarHBondContact O-N 2.81Å; A1501-S1504 PolarHBondContact O-OG 3.24Å; A1501-K1505 WeakPolarHBondContact O-CG 3.46Å; A1501-K1505 PolarHBondContact O-N 3.31Å
1502	K	66.8	Low	62.3	Low	156 Å²	156	73.9 Å²	73.9	68%	0.678	36%	0.356	S	S	*	.	H	α-helix	trans	-66	-30.9	171.2	-164.6	166.9	-173.7	168.6	0	112.5	H1500 I1506	H1500-K1502 PolarHBondContact O-N 3.48Å; H1500-K1502 VanDerWaalsContact O-N 3.07Å; K1502-I1506 HydrophobicContact CG-CD1 4.31Å; K1502-I1506 WeakPolarHBondContact O-CD1 3.43Å; K1502-I1506 WeakPolarHBondContact O-CG1 3.21Å; K1502-I1506 PolarHBondContact O-N 2.92Å
1503	L	68.7	Low	63	Low	1 Å²	1	73.1 Å²	73.1	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-79.9	-37.5	177.5	-166	66.9	0	0	0	112.5	W1496 H1500 A1501 K1505 I1506 L1507 V1577 Y1580 I1587 L1591	W1496-L1503 HydrophobicContact CZ3-CB 4.41Å; W1496-L1503 HydrophobicContact CZ3-CD2 4.2Å; H1500-L1503 WeakPolarHBondContact O-CA 3.35Å; H1500-L1503 WeakPolarHBondContact O-CB 3.28Å; H1500-L1503 PolarHBondContact O-N 2.95Å; A1501-L1503 VanDerWaalsContact C-N 3.3Å; A1501-L1503 PolarHBondContact O-N 2.81Å; L1503-K1505 VanDerWaalsContact C-N 3.3Å; L1503-K1505 PolarHBondContact O-N 3.28Å; L1503-I1506 PolarHBondContact O-N 2.89Å; L1503-L1507 HydrophobicContact CG-CD1 4.09Å; L1503-L1507 WeakPolarHBondContact O-CB 3.25Å; L1503-L1507 WeakPolarHBondContact O-CG 3.49Å; L1503-L1507 PolarHBondContact O-N 3.19Å; L1503-V1577 HydrophobicContact CD1-CG2 4.19Å; L1503-Y1580 HydrophobicContact CB-CD1 4.37Å; L1503-Y1580 HydrophobicContact CB-CE1 4.24Å; L1503-Y1580 HydrophobicContact CD1-CD1 4.21Å; L1503-Y1580 HydrophobicContact CD1-CD2 4.41Å; L1503-Y1580 HydrophobicContact CD1-CG 3.95Å; L1503-Y1580 HydrophobicContact CD2-CD1 3.75Å; L1503-Y1580 HydrophobicContact CD2-CE1 4.16Å; L1503-Y1580 HydrophobicContact CD2-CG 4.33Å; L1503-Y1580 HydrophobicContact CG-CD1 4.33Å; L1503-I1587 HydrophobicContact CD2-CD1 3.69Å; L1503-L1591 HydrophobicContact CD2-CD1 4.5Å
1504	S	66.8	Low	64.2	Low	10 Å²	10	69.8 Å²	69.8	7%	0.07	34%	0.337	C	S	.	.	H	α-helix	trans	-61.2	-42.1	174.9	77.5	0	0	0	0	111.2	H1500 A1501 L1507 C1508 L1509 D1510	H1500-S1504 PolarHBondContact O-N 2.95Å; A1501-S1504 PolarHBondContact O-OG 3.24Å; S1504-L1507 CarbonylContact O-C 3.33Å; S1504-L1507 PolarHBondContact O-N 3.22Å; S1504-C1508 PolarHBondContact O-N 2.95Å; S1504-L1509 PolarHBondContact O-N 3.1Å; S1504-L1509 VanDerWaalsContact O-N 3.09Å; S1504-D1510 PolarHBondContact OG-OD1 2.92Å
1505	K	64.3	Low	65.2	Low	145 Å²	145	61.5 Å²	61.5	63%	0.63	31%	0.306	S	S	*	.	H	α-helix	trans	-62.9	-42.9	173.8	-71.7	179.3	178.7	-174.5	0	113	A1501 L1503 L1507 C1508 D1510	A1501-K1505 WeakPolarHBondContact O-CG 3.46Å; A1501-K1505 PolarHBondContact O-N 3.31Å; L1503-K1505 VanDerWaalsContact C-N 3.3Å; L1503-K1505 PolarHBondContact O-N 3.28Å; K1505-L1507 PolarHBondContact O-N 3.24Å; K1505-C1508 PolarHBondContact O-N 3.39Å; K1505-D1510 WeakPolarHBondContact CG-OD2 3.46Å
1506	I	61.7	Low	66.3	Low	75 Å²	75	53.9 Å²	53.9	39%	0.385	28%	0.277	S	S	.	.	H	α-helix	trans	-63.7	-30.7	174	-74.3	166.1	0	0	0	112.2	K1502 L1503	K1502-I1506 HydrophobicContact CG-CD1 4.31Å; K1502-I1506 WeakPolarHBondContact O-CD1 3.43Å; K1502-I1506 WeakPolarHBondContact O-CG1 3.21Å; K1502-I1506 PolarHBondContact O-N 2.92Å; L1503-I1506 PolarHBondContact O-N 2.89Å
1507	L	60	Low	67	Low	31 Å²	31	55.3 Å²	55.3	16%	0.162	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-3.9	177.3	-73.2	171.9	0	0	0	113.9	W1496 L1503 S1504 K1505 L1509 V1573 V1577	W1496-L1507 HydrophobicContact CH2-CD1 4.42Å; L1503-L1507 HydrophobicContact CG-CD1 4.09Å; L1503-L1507 WeakPolarHBondContact O-CB 3.25Å; L1503-L1507 WeakPolarHBondContact O-CG 3.49Å; L1503-L1507 PolarHBondContact O-N 3.19Å; S1504-L1507 CarbonylContact O-C 3.33Å; S1504-L1507 PolarHBondContact O-N 3.22Å; K1505-L1507 PolarHBondContact O-N 3.24Å; L1507-L1509 HydrophobicContact CB-CD1 4.23Å; L1507-L1509 HydrophobicContact CB-CD2 4.03Å; L1507-L1509 HydrophobicContact CB-CG 3.68Å; L1507-L1509 HydrophobicContact CD1-CD1 4.16Å; L1507-L1509 HydrophobicContact CD1-CG 4.47Å; L1507-L1509 PolarHBondContact O-N 3.14Å; L1507-V1573 HydrophobicContact CD2-CG1 3.47Å; L1507-V1573 VanDerWaalsContact CD2-CG1 3.47Å; L1507-V1577 HydrophobicContact CD1-CG2 4.47Å; L1507-V1577 HydrophobicContact CD2-CG2 3.89Å; L1507-V1577 HydrophobicContact CG-CG2 4.41Å
1508	C	62.5	Low	67.6	Low	26 Å²	26	54.1 Å²	54.1	18%	0.176	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	28.8	-173.4	-58.7	0	0	0	0	114	S1504 K1505 D1510 Q1511 L1564	S1504-C1508 PolarHBondContact O-N 2.95Å; K1505-C1508 PolarHBondContact O-N 3.39Å; C1508-D1510 PolarHBondContact O-N 3.18Å; C1508-Q1511 HydrophobicContact CB-CG 3.98Å; C1508-Q1511 VanDerWaalsContact O-CB 3.31Å; C1508-Q1511 WeakPolarHBondContact O-CB 3.44Å; C1508-Q1511 WeakPolarHBondContact O-CG 3.38Å; C1508-Q1511 PolarHBondContact O-N 3.36Å; C1508-L1564 HydrophobicContact CB-CD2 3.95Å
1509	L	63.1	Low	67.9	Low	12 Å²	12	48.6 Å²	48.6	6%	0.063	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-62.5	-34.5	-175.7	-61.9	179.8	0	0	0	112.2	W1496 S1504 L1507 Q1511 I1512 P1513 L1600	W1496-L1509 HydrophobicContact CH2-CD1 3.93Å; W1496-L1509 HydrophobicContact CZ2-CD1 3.28Å; S1504-L1509 PolarHBondContact O-N 3.1Å; S1504-L1509 VanDerWaalsContact O-N 3.09Å; L1507-L1509 HydrophobicContact CB-CD1 4.23Å; L1507-L1509 HydrophobicContact CB-CD2 4.03Å; L1507-L1509 HydrophobicContact CB-CG 3.68Å; L1507-L1509 HydrophobicContact CD1-CD1 4.16Å; L1507-L1509 HydrophobicContact CD1-CG 4.47Å; L1507-L1509 PolarHBondContact O-N 3.14Å; L1509-Q1511 PolarHBondContact O-N 3.46Å; L1509-I1512 HydrophobicContact CD2-CD1 3.78Å; L1509-I1512 WeakPolarHBondContact O-CB 3.49Å; L1509-I1512 PolarHBondContact O-N 3.12Å; L1509-P1513 WeakPolarHBondContact O-CD 3.48Å; L1509-L1600 HydrophobicContact CD2-CD1 4.21Å; L1509-L1600 HydrophobicContact CD2-CD2 4.37Å
1510	D	65.5	Low	68.7	Low	69 Å²	69	44.9 Å²	44.9	37%	0.369	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-53.8	-19.6	175.2	-39.9	-10.7	0	0	0	112.9	S1504 K1505 C1508	S1504-D1510 PolarHBondContact OG-OD1 2.92Å; K1505-D1510 WeakPolarHBondContact CG-OD2 3.46Å; C1508-D1510 PolarHBondContact O-N 3.18Å
1511	Q	65.4	Low	69.2	Low	52 Å²	52	47.2 Å²	47.2	24%	0.243	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-90.3	-14.5	-179.7	-46.2	-58.4	-39.7	0	0	113.5	C1508 L1509 L1515 H1560	C1508-Q1511 HydrophobicContact CB-CG 3.98Å; C1508-Q1511 VanDerWaalsContact O-CB 3.31Å; C1508-Q1511 WeakPolarHBondContact O-CB 3.44Å; C1508-Q1511 WeakPolarHBondContact O-CG 3.38Å; C1508-Q1511 PolarHBondContact O-N 3.36Å; L1509-Q1511 PolarHBondContact O-N 3.46Å; Q1511-L1515 PolarHBondContact O-N 3.08Å; Q1511-H1560 PolarHBondContact OE1-CE1 2.68Å; Q1511-H1560 PolarHBondContact OE1-ND1 3.31Å
1512	I	67.3	Low	69.9	Low	5 Å²	5	45.8 Å²	45.8	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-69.9	-41.9	-177.7	-59.8	175.6	0	0	0	112.8	L1492 L1509 I1514 L1515 I1516 L1564 L1600 M1607	L1492-I1512 HydrophobicContact CD1-CG2 4.47Å; L1509-I1512 HydrophobicContact CD2-CD1 3.78Å; L1509-I1512 WeakPolarHBondContact O-CB 3.49Å; L1509-I1512 PolarHBondContact O-N 3.12Å; I1512-I1514 VanDerWaalsContact C-N 3.31Å; I1512-I1514 PolarHBondContact O-N 3.02Å; I1512-L1515 PolarHBondContact O-N 3.11Å; I1512-I1516 HydrophobicContact CG2-CD1 3.91Å; I1512-I1516 HydrophobicContact CG2-CG1 4.42Å; I1512-I1516 WeakPolarHBondContact O-CG1 3.35Å; I1512-I1516 PolarHBondContact O-N 3.34Å; I1512-L1564 HydrophobicContact CG1-CD2 4.35Å; I1512-L1600 HydrophobicContact CD1-CD2 4.09Å; I1512-M1607 HydrophobicContact CG2-CE 4.36Å
1513	P	68.4	Low	70.7	Confident	46 Å²	46	39 Å²	39	30%	0.299	20%	0.202	S	C	.	.	H	α-helix	trans	-58.8	-42.2	175.2	-17.7	26.3	0	0	0	112.5	L1492 L1509 L1515 I1516 N1517	L1492-P1513 HydrophobicContact CD1-CB 4.32Å; L1492-P1513 HydrophobicContact CD1-CG 3.87Å; L1492-P1513 HydrophobicContact CD2-CG 3.89Å; L1492-P1513 HydrophobicContact CG-CG 4.42Å; L1509-P1513 WeakPolarHBondContact O-CD 3.48Å; P1513-L1515 VanDerWaalsContact C-N 3.32Å; P1513-L1515 PolarHBondContact O-N 3.26Å; P1513-I1516 WeakPolarHBondContact O-CB 3.29Å; P1513-I1516 PolarHBondContact O-N 2.83Å; P1513-N1517 PolarHBondContact O-N 3.45Å
1514	I	70.8	Confident	71.5	Confident	69 Å²	69	42.7 Å²	42.7	35%	0.354	22%	0.224	S	C	.	.	H	α-helix	trans	-62.7	-42.9	180	-52.8	173.5	0	0	0	110	I1512 N1517 L1518 T1556	I1512-I1514 VanDerWaalsContact C-N 3.31Å; I1512-I1514 PolarHBondContact O-N 3.02Å; I1514-N1517 PolarHBondContact O-N 3.39Å; I1514-L1518 HydrophobicContact CG2-CD1 4.39Å; I1514-L1518 WeakPolarHBondContact O-CG 3.44Å; I1514-L1518 PolarHBondContact O-N 3.05Å; I1514-T1556 HydrophobicContact CG2-CG2 4.48Å
1515	L	69.2	Low	72.4	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.8	-38.3	176.3	-145.3	84.1	0	0	0	112.8	Q1511 I1512 P1513 N1517 L1518 F1519 H1560 L1564 M1607	Q1511-L1515 PolarHBondContact O-N 3.08Å; I1512-L1515 PolarHBondContact O-N 3.11Å; P1513-L1515 VanDerWaalsContact C-N 3.32Å; P1513-L1515 PolarHBondContact O-N 3.26Å; L1515-N1517 VanDerWaalsContact C-N 3.34Å; L1515-L1518 PolarHBondContact O-N 2.78Å; L1515-F1519 HydrophobicContact CD2-CD2 4.37Å; L1515-F1519 HydrophobicContact CD2-CE2 3.87Å; L1515-F1519 HydrophobicContact CG-CD2 4.19Å; L1515-F1519 HydrophobicContact CG-CE2 4.01Å; L1515-F1519 VanDerWaalsContact O-CD2 3.28Å; L1515-F1519 WeakPolarHBondContact O-CD2 3.4Å; L1515-F1519 PolarHBondContact O-N 3.14Å; L1515-H1560 HydrophobicContact CD1-CB 3.67Å; L1515-L1564 HydrophobicContact CD2-CD1 4.11Å; L1515-M1607 HydrophobicContact CD2-CE 3.59Å; L1515-M1607 HydrophobicContact CD2-CG 4.42Å; L1515-M1607 HydrophobicContact CD2-SD 3.5Å; L1515-M1607 WeakPolarHBondContact CD2-SD 3.12Å
1516	I	72.7	Confident	73.4	Confident	3 Å²	3	36 Å²	36	2%	0.015	20%	0.196	C	C	.	.	H	α-helix	trans	-60.8	-45.2	174	-75	168.8	0	0	0	110.4	L1485 L1492 I1512 P1513 F1519 R1520	L1485-I1516 HydrophobicContact CB-CD1 4.28Å; L1485-I1516 HydrophobicContact CB-CG1 3.79Å; L1485-I1516 HydrophobicContact CD1-CG1 4.33Å; L1492-I1516 HydrophobicContact CD1-CD1 4.04Å; I1512-I1516 HydrophobicContact CG2-CD1 3.91Å; I1512-I1516 HydrophobicContact CG2-CG1 4.42Å; I1512-I1516 WeakPolarHBondContact O-CG1 3.35Å; I1512-I1516 PolarHBondContact O-N 3.34Å; P1513-I1516 WeakPolarHBondContact O-CB 3.29Å; P1513-I1516 PolarHBondContact O-N 2.83Å; I1516-F1519 PolarHBondContact O-N 3.02Å; I1516-R1520 HydrophobicContact CG2-CG 4.41Å; I1516-R1520 VanDerWaalsContact CG2-CZ 3.42Å; I1516-R1520 WeakPolarHBondContact O-CB 3.39Å; I1516-R1520 VanDerWaalsContact O-CG 3.3Å; I1516-R1520 WeakPolarHBondContact O-CG 3.49Å; I1516-R1520 PolarHBondContact O-N 3Å
1517	N	75.5	Confident	74.5	Confident	94 Å²	94	35.6 Å²	35.6	50%	0.503	19%	0.194	S	C	.	.	H	α-helix	trans	-69.2	-37	-179.3	-70.4	-1.7	0	0	0	112.1	P1513 I1514 L1515 R1520 S1521	P1513-N1517 PolarHBondContact O-N 3.45Å; I1514-N1517 PolarHBondContact O-N 3.39Å; L1515-N1517 VanDerWaalsContact C-N 3.34Å; N1517-R1520 PolarHBondContact O-N 3.12Å; N1517-S1521 WeakPolarHBondContact O-CB 3.24Å; N1517-S1521 PolarHBondContact O-N 3.19Å
1518	L	75.9	Confident	75.6	Confident	21 Å²	21	41.5 Å²	41.5	11%	0.11	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-46.6	170.5	-76.6	166.8	0	0	0	112.2	I1514 L1515 R1520 S1521 L1522 W1545 T1556 W1557	I1514-L1518 HydrophobicContact CG2-CD1 4.39Å; I1514-L1518 WeakPolarHBondContact O-CG 3.44Å; I1514-L1518 PolarHBondContact O-N 3.05Å; L1515-L1518 PolarHBondContact O-N 2.78Å; L1518-R1520 VanDerWaalsContact C-N 3.35Å; L1518-R1520 PolarHBondContact O-N 3.12Å; L1518-S1521 PolarHBondContact O-N 3Å; L1518-L1522 PolarHBondContact O-N 2.71Å; L1518-W1545 HydrophobicContact CD2-CH2 4.39Å; L1518-W1545 HydrophobicContact CD2-CZ2 4.19Å; L1518-W1545 WeakPolarHBondContact O-CZ2 3.46Å; L1518-T1556 HydrophobicContact CD1-CG2 4.15Å; L1518-W1557 HydrophobicContact CD1-CB 4.3Å
1519	F	74.4	Confident	76.7	Confident	16 Å²	16	40.9 Å²	40.9	7%	0.07	22%	0.217	C	C	.	.	H	α-helix	trans	-67.8	-32.4	176.4	-81.4	-63.9	0	0	0	113	V1482 L1485 L1515 I1516 V1523 W1557	V1482-F1519 HydrophobicContact CG2-CB 3.8Å; V1482-F1519 WeakPolarHBondContact CG2-O 3.41Å; L1485-F1519 HydrophobicContact CD1-CD2 3.82Å; L1485-F1519 HydrophobicContact CD1-CE2 4.26Å; L1515-F1519 HydrophobicContact CD2-CD2 4.37Å; L1515-F1519 HydrophobicContact CD2-CE2 3.87Å; L1515-F1519 HydrophobicContact CG-CD2 4.19Å; L1515-F1519 HydrophobicContact CG-CE2 4.01Å; L1515-F1519 VanDerWaalsContact O-CD2 3.28Å; L1515-F1519 WeakPolarHBondContact O-CD2 3.4Å; L1515-F1519 PolarHBondContact O-N 3.14Å; I1516-F1519 PolarHBondContact O-N 3.02Å; F1519-V1523 WeakPolarHBondContact O-CG2 3.44Å; F1519-V1523 PolarHBondContact O-N 3.42Å; F1519-W1557 HydrophobicContact CZ-CZ2 4.39Å
1520	R	81.3	Confident	77.6	Confident	71 Å²	71	44 Å²	44	27%	0.268	23%	0.23	S	C	.	.	H	α-helix	trans	-64.7	-45	171.2	-76.6	172.1	177.4	168.1	0.6	111.6	V1482 E1489 I1516 N1517 L1518 V1523 T1524	V1482-R1520 HydrophobicContact CG1-CG 3.88Å; V1482-R1520 HydrophobicContact CG2-CG 4.49Å; E1489-R1520 IonicContact OE1-CZ 3.36Å; E1489-R1520 IonicContact OE1-NH1 2.81Å; E1489-R1520 PolarHBondContact OE1-NH1 3.35Å; E1489-R1520 IonicContact OE1-NH2 3.07Å; E1489-R1520 PolarHBondContact OE1-NH2 2.94Å; E1489-R1520 IonicContact OE2-NH2 3.73Å; I1516-R1520 HydrophobicContact CG2-CG 4.41Å; I1516-R1520 VanDerWaalsContact CG2-CZ 3.42Å; I1516-R1520 WeakPolarHBondContact O-CB 3.39Å; I1516-R1520 VanDerWaalsContact O-CG 3.3Å; I1516-R1520 WeakPolarHBondContact O-CG 3.49Å; I1516-R1520 PolarHBondContact O-N 3Å; N1517-R1520 PolarHBondContact O-N 3.12Å; L1518-R1520 VanDerWaalsContact C-N 3.35Å; L1518-R1520 PolarHBondContact O-N 3.12Å; R1520-V1523 PolarHBondContact O-N 3.39Å; R1520-T1524 WeakPolarHBondContact O-CB 3.2Å; R1520-T1524 PolarHBondContact O-N 2.82Å; R1520-T1524 PolarHBondContact O-OG1 3.18Å
1521	S	84.4	Confident	78.2	Confident	55 Å²	55	43.6 Å²	43.6	39%	0.385	23%	0.23	S	C	.	.	H	α-helix	trans	-60	-46.8	176.3	179.2	0	0	0	0	111.5	N1517 L1518 V1523 T1524 C1525 W1545	N1517-S1521 WeakPolarHBondContact O-CB 3.24Å; N1517-S1521 PolarHBondContact O-N 3.19Å; L1518-S1521 PolarHBondContact O-N 3Å; S1521-V1523 PolarHBondContact O-N 2.91Å; S1521-T1524 PolarHBondContact O-N 3.1Å; S1521-C1525 WeakPolarHBondContact O-CB 3.27Å; S1521-C1525 PolarHBondContact O-N 2.93Å; S1521-W1545 PolarHBondContact OG-NE1 3.07Å
1522	L	82.6	Confident	78.4	Confident	5 Å²	5	47.2 Å²	47.2	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-43.2	175.2	178	61.1	0	0	0	112.7	T1478 L1518 C1525 I1526 V1542 W1545	T1478-L1522 HydrophobicContact CG2-CD2 4.12Å; L1518-L1522 PolarHBondContact O-N 2.71Å; L1522-C1525 PolarHBondContact O-N 3.07Å; L1522-I1526 HydrophobicContact CD1-CD1 4.22Å; L1522-I1526 HydrophobicContact CG-CD1 4.14Å; L1522-I1526 WeakPolarHBondContact O-CD1 3.43Å; L1522-I1526 VanDerWaalsContact O-CG1 3.3Å; L1522-I1526 WeakPolarHBondContact O-CG1 3.3Å; L1522-I1526 PolarHBondContact O-N 3.29Å; L1522-I1526 VanDerWaalsContact O-N 3.1Å; L1522-V1542 HydrophobicContact CD1-CG1 4.48Å; L1522-V1542 HydrophobicContact CD1-CG2 4.34Å; L1522-W1545 HydrophobicContact CB-CD2 4.36Å; L1522-W1545 HydrophobicContact CB-CH2 4.09Å; L1522-W1545 HydrophobicContact CB-CZ2 3.93Å; L1522-W1545 HydrophobicContact CB-CZ3 4.38Å; L1522-W1545 HydrophobicContact CD1-CD2 4.05Å; L1522-W1545 HydrophobicContact CD1-CE3 3.88Å; L1522-W1545 HydrophobicContact CD1-CZ3 4.28Å; L1522-W1545 HydrophobicContact CD2-CZ3 4.49Å
1523	V	84.6	Confident	78.5	Confident	14 Å²	14	52 Å²	52	9%	0.085	27%	0.269	C	S	.	.	H	α-helix	trans	-66.1	-39.5	176.3	167.2	0	0	0	0	111.4	Q1479 V1482 F1519 R1520 S1521 C1525 I1526 D1527	Q1479-V1523 HydrophobicContact CG-CG1 3.99Å; Q1479-V1523 HydrophobicContact CG-CG2 4.44Å; V1482-V1523 HydrophobicContact CG2-CB 4.26Å; V1482-V1523 HydrophobicContact CG2-CG2 3.67Å; F1519-V1523 WeakPolarHBondContact O-CG2 3.44Å; F1519-V1523 PolarHBondContact O-N 3.42Å; R1520-V1523 PolarHBondContact O-N 3.39Å; S1521-V1523 PolarHBondContact O-N 2.91Å; V1523-C1525 PolarHBondContact O-N 3.34Å; V1523-I1526 PolarHBondContact O-N 3.26Å; V1523-I1526 VanDerWaalsContact O-N 3.1Å; V1523-D1527 WeakPolarHBondContact CG1-OD2 3.45Å; V1523-D1527 PolarHBondContact O-N 2.85Å
1524	T	84.3	Confident	79	Confident	77 Å²	77	49.9 Å²	49.9	47%	0.472	26%	0.255	S	S	.	.	H	α-helix	trans	-62.1	-43.2	177.2	-50.9	0	0	0	0	111.2	R1520 S1521 I1526 D1527 Q1528	R1520-T1524 WeakPolarHBondContact O-CB 3.2Å; R1520-T1524 PolarHBondContact O-N 2.82Å; R1520-T1524 PolarHBondContact O-OG1 3.18Å; S1521-T1524 PolarHBondContact O-N 3.1Å; T1524-I1526 VanDerWaalsContact C-N 3.31Å; T1524-I1526 PolarHBondContact O-N 3.46Å; T1524-D1527 PolarHBondContact O-N 3.03Å; T1524-Q1528 VanDerWaalsContact O-CG 3.3Å; T1524-Q1528 WeakPolarHBondContact O-CG 3.46Å; T1524-Q1528 PolarHBondContact O-N 3.36Å
1525	C	85.8	Confident	79.5	Confident	15 Å²	15	46.7 Å²	46.7	10%	0.101	24%	0.238	C	C	.	.	H	α-helix	trans	-59.4	-38.2	172.7	172.9	0	0	0	0	112.5	S1521 L1522 V1523 T1529 A1541	S1521-C1525 WeakPolarHBondContact O-CB 3.27Å; S1521-C1525 PolarHBondContact O-N 2.93Å; L1522-C1525 PolarHBondContact O-N 3.07Å; V1523-C1525 PolarHBondContact O-N 3.34Å; C1525-T1529 WeakPolarHBondContact O-CG2 3.46Å; C1525-A1541 PolarHBondContact SG-O 3.23Å; C1525-A1541 VanDerWaalsContact SG-O 3.38Å
1526	I	85.7	Confident	80	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-72.8	-44.3	175.8	-63.3	161.1	0	0	0	111.5	F1474 H1475 L1522 V1523 T1524 Q1528 T1529 Y1535 M1538 V1542	F1474-I1526 HydrophobicContact CD1-CD1 4.01Å; F1474-I1526 HydrophobicContact CE1-CD1 3.89Å; H1475-I1526 HydrophobicContact CB-CG2 3.95Å; H1475-I1526 VanDerWaalsContact CD2-CG2 3.43Å; H1475-I1526 WeakPolarHBondContact CD2-CG2 3.41Å; H1475-I1526 VanDerWaalsContact CG-CG2 3.46Å; L1522-I1526 HydrophobicContact CD1-CD1 4.22Å; L1522-I1526 HydrophobicContact CG-CD1 4.14Å; L1522-I1526 WeakPolarHBondContact O-CD1 3.43Å; L1522-I1526 VanDerWaalsContact O-CG1 3.3Å; L1522-I1526 WeakPolarHBondContact O-CG1 3.3Å; L1522-I1526 PolarHBondContact O-N 3.29Å; L1522-I1526 VanDerWaalsContact O-N 3.1Å; V1523-I1526 PolarHBondContact O-N 3.26Å; V1523-I1526 VanDerWaalsContact O-N 3.1Å; T1524-I1526 VanDerWaalsContact C-N 3.31Å; T1524-I1526 PolarHBondContact O-N 3.46Å; I1526-Q1528 VanDerWaalsContact C-N 3.25Å; I1526-Q1528 PolarHBondContact O-N 3.1Å; I1526-T1529 PolarHBondContact O-N 2.89Å; I1526-T1529 PolarHBondContact O-OG1 3.17Å; I1526-Y1535 HydrophobicContact CG2-CE1 4.3Å; I1526-M1538 HydrophobicContact CD1-CE 4.29Å; I1526-M1538 HydrophobicContact CG1-CE 4.2Å; I1526-M1538 HydrophobicContact CG2-CE 3.69Å; I1526-M1538 HydrophobicContact CG2-CG 4.32Å; I1526-M1538 HydrophobicContact CG2-SD 4.08Å; I1526-V1542 HydrophobicContact CD1-CG2 4.3Å; I1526-V1542 HydrophobicContact CG1-CG2 3.76Å
1527	D	85	Confident	80.4	Confident	66 Å²	66	56.3 Å²	56.3	35%	0.353	28%	0.28	S	S	.	.	H	α-helix	trans	-60.9	-33.4	177.3	-85.5	-52.1	0	0	0	111.6	H1475 V1523 T1524 T1529 K1530	H1475-D1527 IonicContact CE1-OD1 2.95Å; H1475-D1527 PolarHBondContact CE1-OD1 3.16Å; H1475-D1527 IonicContact NE2-OD1 2.76Å; H1475-D1527 IonicContact NE2-OD2 3.79Å; V1523-D1527 WeakPolarHBondContact CG1-OD2 3.45Å; V1523-D1527 PolarHBondContact O-N 2.85Å; T1524-D1527 PolarHBondContact O-N 3.03Å; D1527-T1529 PolarHBondContact O-N 3Å; D1527-K1530 WeakPolarHBondContact O-CB 3.28Å; D1527-K1530 PolarHBondContact O-N 3.35Å
1528	Q	84.3	Confident	81	Confident	155 Å²	155	51.9 Å²	51.9	72%	0.724	26%	0.256	S	S	*	.	H	α-helix	trans	-62.9	-23.2	171.4	-76	168.7	-20.5	0	0	114	T1524 I1526 K1530	T1524-Q1528 VanDerWaalsContact O-CG 3.3Å; T1524-Q1528 WeakPolarHBondContact O-CG 3.46Å; T1524-Q1528 PolarHBondContact O-N 3.36Å; I1526-Q1528 VanDerWaalsContact C-N 3.25Å; I1526-Q1528 PolarHBondContact O-N 3.1Å; Q1528-K1530 VanDerWaalsContact C-N 3.3Å
1529	T	83.8	Confident	81.5	Confident	14 Å²	14	50.9 Å²	50.9	9%	0.086	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	6.5	178.1	68.7	0	0	0	0	113.4	C1525 I1526 D1527 T1531 R1536 M1538 A1541	C1525-T1529 WeakPolarHBondContact O-CG2 3.46Å; I1526-T1529 PolarHBondContact O-N 2.89Å; I1526-T1529 PolarHBondContact O-OG1 3.17Å; D1527-T1529 PolarHBondContact O-N 3Å; T1529-T1531 PolarHBondContact O-N 3.47Å; T1529-R1536 PolarHBondContact O-N 2.87Å; T1529-R1536 VanDerWaalsContact O-N 3.09Å; T1529-M1538 HydrophobicContact CG2-CB 4.47Å; T1529-M1538 WeakPolarHBondContact OG1-CB 3.12Å; T1529-A1541 HydrophobicContact CG2-CB 3.43Å; T1529-A1541 VanDerWaalsContact CG2-CB 3.43Å
1530	K	82	Confident	82	Confident	78 Å²	78	55.8 Å²	55.8	34%	0.339	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	107.3	-174.5	-164.8	-179	177.8	178	0	111.1	Q1449 F1450 D1527 Q1528 Y1535	Q1449-K1530 WeakPolarHBondContact O-CE 3.42Å; Q1449-K1530 PolarHBondContact O-NZ 3.24Å; F1450-K1530 HydrophobicContact CD1-CG 4.22Å; F1450-K1530 HydrophobicContact CE1-CD 4.12Å; F1450-K1530 HydrophobicContact CE1-CG 3.37Å; F1450-K1530 HydrophobicContact CZ-CD 4.45Å; F1450-K1530 HydrophobicContact CZ-CG 3.89Å; D1527-K1530 WeakPolarHBondContact O-CB 3.28Å; D1527-K1530 PolarHBondContact O-N 3.35Å; Q1528-K1530 VanDerWaalsContact C-N 3.3Å; K1530-Y1535 HydrophobicContact CB-CE1 4.35Å; K1530-Y1535 HydrophobicContact CG-CE1 4.17Å
1531	T	79.7	Confident	82.2	Confident	59 Å²	59	53.6 Å²	53.6	36%	0.362	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	167.1	177.6	71.4	0	0	0	0	111.5	F1450 T1529 Q1533 G1534 R1536	F1450-T1531 VanDerWaalsContact CD1-O 3.24Å; F1450-T1531 WeakPolarHBondContact CD1-O 3.45Å; F1450-T1531 VanDerWaalsContact CE1-O 3.23Å; F1450-T1531 WeakPolarHBondContact CE1-O 3.49Å; T1529-T1531 PolarHBondContact O-N 3.47Å; T1531-Q1533 PolarHBondContact O-N 3.31Å; T1531-Q1533 VanDerWaalsContact O-N 3.15Å; T1531-G1534 WeakPolarHBondContact CA-O 3.24Å; T1531-G1534 PolarHBondContact N-O 3.33Å; T1531-G1534 PolarHBondContact O-N 2.87Å; T1531-G1534 VanDerWaalsContact O-N 3.07Å; T1531-G1534 VanDerWaalsContact O-O 3.14Å; T1531-G1534 PolarHBondContact OG1-O 3.01Å; T1531-R1536 HydrophobicContact CG2-CB 3.86Å
1532	E	69.1	Low	82.2	Confident	129 Å²	129	51.1 Å²	51.1	60%	0.603	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-28	178.3	-59.3	-159.3	111.7	0	0	114.2	N1452	N1452-E1532 HydrophobicContact CB-CB 4.47Å; N1452-E1532 PolarHBondContact ND2-OE1 2.98Å
1533	Q	67.9	Low	82.4	Confident	106 Å²	106	52.1 Å²	52.1	50%	0.495	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	14.8	-179.9	-59	-169.4	36.4	0	0	113.2	F1453 T1531	F1453-Q1533 VanDerWaalsContact CE2-O 3.23Å; F1453-Q1533 WeakPolarHBondContact CE2-O 3.33Å; T1531-Q1533 PolarHBondContact O-N 3.31Å; T1531-Q1533 VanDerWaalsContact O-N 3.15Å
1534	G	80.1	Confident	82.3	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	119	-154.7	176.8	0	0	0	0	0	113.8	F1450 T1531	F1450-G1534 VanDerWaalsContact CE1-CA 3.46Å; T1531-G1534 WeakPolarHBondContact CA-O 3.24Å; T1531-G1534 PolarHBondContact N-O 3.33Å; T1531-G1534 PolarHBondContact O-N 2.87Å; T1531-G1534 VanDerWaalsContact O-N 3.07Å; T1531-G1534 VanDerWaalsContact O-O 3.14Å; T1531-G1534 PolarHBondContact OG1-O 3.01Å
1535	Y	81.4	Confident	82.4	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.008	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	116.7	178.9	-64	-72	0	0	0	110.4	F1450 T1468 L1471 L1472 H1475 I1526 K1530 M1538	F1450-Y1535 HydrophobicContact CE2-CD2 4.35Å; F1450-Y1535 AromaticContact CE2-CE2 3.73Å; F1450-Y1535 HydrophobicContact CE2-CE2 3.73Å; F1450-Y1535 AromaticContact CE2-CZ 3.98Å; F1450-Y1535 HydrophobicContact CZ-CD1 4.32Å; F1450-Y1535 AromaticContact CZ-CD2 3.91Å; F1450-Y1535 HydrophobicContact CZ-CD2 3.91Å; F1450-Y1535 AromaticContact CZ-CE1 3.98Å; F1450-Y1535 HydrophobicContact CZ-CE1 3.98Å; F1450-Y1535 AromaticContact CZ-CE2 3.53Å; F1450-Y1535 HydrophobicContact CZ-CE2 3.53Å; F1450-Y1535 HydrophobicContact CZ-CG 4.27Å; F1450-Y1535 AromaticContact CZ-CZ 3.54Å; T1468-Y1535 HydrophobicContact CG2-CD2 4.02Å; T1468-Y1535 HydrophobicContact CG2-CE2 4.43Å; L1471-Y1535 HydrophobicContact CB-CD2 3.86Å; L1471-Y1535 HydrophobicContact CB-CG 4.35Å; L1472-Y1535 HydrophobicContact CB-CE2 4.04Å; L1472-Y1535 HydrophobicContact CD1-CE2 4.01Å; L1472-Y1535 WeakPolarHBondContact CD1-OH 3.47Å; H1475-Y1535 AromaticContact ND1-CE1 3.55Å; H1475-Y1535 AromaticContact ND1-CZ 3.49Å; H1475-Y1535 PolarHBondContact ND1-OH 3.44Å; I1526-Y1535 HydrophobicContact CG2-CE1 4.3Å; K1530-Y1535 HydrophobicContact CB-CE1 4.35Å; K1530-Y1535 HydrophobicContact CG-CE1 4.17Å; Y1535-M1538 HydrophobicContact CD1-SD 3.91Å; Y1535-M1538 HydrophobicContact CD2-SD 4.33Å; Y1535-M1538 HydrophobicContact CG-SD 3.79Å
1536	R	79.8	Confident	81.8	Confident	190 Å²	190	49.8 Å²	49.8	72%	0.717	25%	0.246	S	C	*	.	S	Bend	trans	-120.2	125.4	179.2	-168.4	178.7	-171.7	-91.2	2.2	109.1	T1529 T1531 M1538	T1529-R1536 PolarHBondContact O-N 2.87Å; T1529-R1536 VanDerWaalsContact O-N 3.09Å; T1531-R1536 HydrophobicContact CG2-CB 3.86Å; R1536-M1538 PolarHBondContact O-N 2.87Å
1537	G	81.4	Confident	81.3	Confident	16 Å²	16	52.6 Å²	52.6	17%	0.165	26%	0.263	C	S	.	.	S	Bend	trans	75.4	3.8	-175	0	0	0	0	0	114.8	A1539 E1540 A1541	G1537-A1539 VanDerWaalsContact C-N 3.28Å; G1537-A1539 PolarHBondContact O-N 3.15Å; G1537-E1540 WeakPolarHBondContact O-CA 3.4Å; G1537-E1540 WeakPolarHBondContact O-CB 3.32Å; G1537-E1540 PolarHBondContact O-N 3.12Å; G1537-A1541 PolarHBondContact O-N 3.38Å
1538	M	88.2	Confident	80	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-56	-39	-177.9	-179.1	-176.8	170.8	0	0	113.4	L1471 F1474 H1475 I1526 T1529 Y1535 R1536 E1540 V1542 W1639	L1471-M1538 HydrophobicContact CB-SD 3.91Å; L1471-M1538 HydrophobicContact CD2-SD 4.3Å; L1471-M1538 HydrophobicContact CG-SD 4.49Å; F1474-M1538 HydrophobicContact CB-CE 4.05Å; F1474-M1538 HydrophobicContact CD1-CE 3.62Å; F1474-M1538 HydrophobicContact CG-CE 4.22Å; H1475-M1538 HydrophobicContact CB-CE 4.34Å; I1526-M1538 HydrophobicContact CD1-CE 4.29Å; I1526-M1538 HydrophobicContact CG1-CE 4.2Å; I1526-M1538 HydrophobicContact CG2-CE 3.69Å; I1526-M1538 HydrophobicContact CG2-CG 4.32Å; I1526-M1538 HydrophobicContact CG2-SD 4.08Å; T1529-M1538 HydrophobicContact CG2-CB 4.47Å; T1529-M1538 WeakPolarHBondContact OG1-CB 3.12Å; Y1535-M1538 HydrophobicContact CD1-SD 3.91Å; Y1535-M1538 HydrophobicContact CD2-SD 4.33Å; Y1535-M1538 HydrophobicContact CG-SD 3.79Å; R1536-M1538 PolarHBondContact O-N 2.87Å; M1538-E1540 VanDerWaalsContact C-N 3.34Å; M1538-V1542 HydrophobicContact CG-CG2 4.37Å; M1538-V1542 VanDerWaalsContact O-CB 3.3Å; M1538-V1542 WeakPolarHBondContact O-CB 3.49Å; M1538-V1542 VanDerWaalsContact O-CG2 3.23Å; M1538-V1542 WeakPolarHBondContact O-CG2 3.36Å; M1538-V1542 PolarHBondContact O-N 3Å; M1538-W1639 HydrophobicContact CE-CH2 4.37Å; M1538-W1639 HydrophobicContact CE-CZ2 4.3Å
1539	A	85.2	Confident	78.5	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-67.4	-36	176.1	0	0	0	0	0	112.1	G1537 L1543 E1635 I1638 I1642	G1537-A1539 VanDerWaalsContact C-N 3.28Å; G1537-A1539 PolarHBondContact O-N 3.15Å; A1539-L1543 VanDerWaalsContact O-CB 3.25Å; A1539-L1543 WeakPolarHBondContact O-CB 3.37Å; A1539-L1543 PolarHBondContact O-N 2.57Å; A1539-E1635 HydrophobicContact CB-CG 3.61Å; A1539-I1638 HydrophobicContact CB-CB 3.93Å; A1539-I1638 HydrophobicContact CB-CG2 3.65Å; A1539-I1638 VanDerWaalsContact O-CG2 3.29Å; A1539-I1638 WeakPolarHBondContact O-CG2 3.23Å; A1539-I1642 HydrophobicContact CB-CD1 4.43Å; A1539-I1642 WeakPolarHBondContact O-CD1 3.16Å
1540	E	86.2	Confident	76.9	Confident	120 Å²	120	56.1 Å²	56.1	56%	0.561	29%	0.294	S	S	*	.	H	α-helix	trans	-71.9	-45.8	-179.9	-68.2	154.4	176.1	0	0	110.3	G1537 M1538 L1543 A1544 I1638	G1537-E1540 WeakPolarHBondContact O-CA 3.4Å; G1537-E1540 WeakPolarHBondContact O-CB 3.32Å; G1537-E1540 PolarHBondContact O-N 3.12Å; M1538-E1540 VanDerWaalsContact C-N 3.34Å; E1540-L1543 PolarHBondContact O-N 2.97Å; E1540-A1544 WeakPolarHBondContact O-CB 3.37Å; E1540-A1544 PolarHBondContact O-N 3.44Å; E1540-I1638 HydrophobicContact CG-CD1 3.63Å
1541	A	85	Confident	75.8	Confident	25 Å²	25	54.1 Å²	54.1	21%	0.207	29%	0.29	C	S	.	.	H	α-helix	trans	-65	-41.8	176.6	0	0	0	0	0	112.9	C1525 T1529 G1537 L1543 A1544 W1545	C1525-A1541 PolarHBondContact SG-O 3.23Å; C1525-A1541 VanDerWaalsContact SG-O 3.38Å; T1529-A1541 HydrophobicContact CG2-CB 3.43Å; T1529-A1541 VanDerWaalsContact CG2-CB 3.43Å; G1537-A1541 PolarHBondContact O-N 3.38Å; A1541-L1543 VanDerWaalsContact C-N 3.34Å; A1541-A1544 PolarHBondContact O-N 3Å; A1541-W1545 WeakPolarHBondContact O-CB 3.49Å; A1541-W1545 PolarHBondContact O-N 2.88Å
1542	V	85.1	Confident	75.3	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.012	29%	0.286	C	S	.	.	H	α-helix	trans	-67.3	-35.3	174.5	171.3	0	0	0	0	111.3	F1474 L1522 I1526 M1538 L1546 I1642	F1474-V1542 HydrophobicContact CE1-CG1 4.44Å; F1474-V1542 HydrophobicContact CE1-CG2 4.47Å; F1474-V1542 HydrophobicContact CZ-CG1 4.46Å; L1522-V1542 HydrophobicContact CD1-CG1 4.48Å; L1522-V1542 HydrophobicContact CD1-CG2 4.34Å; I1526-V1542 HydrophobicContact CD1-CG2 4.3Å; I1526-V1542 HydrophobicContact CG1-CG2 3.76Å; M1538-V1542 HydrophobicContact CG-CG2 4.37Å; M1538-V1542 VanDerWaalsContact O-CB 3.3Å; M1538-V1542 WeakPolarHBondContact O-CB 3.49Å; M1538-V1542 VanDerWaalsContact O-CG2 3.23Å; M1538-V1542 WeakPolarHBondContact O-CG2 3.36Å; M1538-V1542 PolarHBondContact O-N 3Å; V1542-L1546 HydrophobicContact CG1-CD1 4.15Å; V1542-L1546 WeakPolarHBondContact O-CD1 3.29Å; V1542-L1546 WeakPolarHBondContact O-CG 3.41Å; V1542-L1546 PolarHBondContact O-N 2.91Å; V1542-I1642 HydrophobicContact CB-CD1 4.08Å; V1542-I1642 HydrophobicContact CG1-CD1 3.83Å; V1542-I1642 HydrophobicContact CG1-CG1 4.29Å; V1542-I1642 HydrophobicContact CG1-CG2 4.33Å
1543	L	85.4	Confident	75.3	Confident	27 Å²	27	48.5 Å²	48.5	14%	0.141	27%	0.266	C	S	.	.	H	α-helix	trans	-67.6	-45.8	173.4	-178.5	60.5	0	0	0	111.4	A1539 E1540 A1541 L1546 T1547 I1638 Q1641 I1642 K1645	A1539-L1543 VanDerWaalsContact O-CB 3.25Å; A1539-L1543 WeakPolarHBondContact O-CB 3.37Å; A1539-L1543 PolarHBondContact O-N 2.57Å; E1540-L1543 PolarHBondContact O-N 2.97Å; A1541-L1543 VanDerWaalsContact C-N 3.34Å; L1543-L1546 WeakPolarHBondContact O-CB 3.34Å; L1543-L1546 PolarHBondContact O-N 3.42Å; L1543-L1546 VanDerWaalsContact O-N 3.13Å; L1543-T1547 HydrophobicContact CD1-CG2 4.46Å; L1543-T1547 PolarHBondContact O-N 2.94Å; L1543-T1547 PolarHBondContact O-OG1 3.49Å; L1543-T1547 VanDerWaalsContact O-OG1 3.13Å; L1543-I1638 HydrophobicContact CB-CG2 4.12Å; L1543-I1638 HydrophobicContact CD2-CG2 3.88Å; L1543-Q1641 HydrophobicContact CD1-CB 4.26Å; L1543-Q1641 HydrophobicContact CD2-CB 4.32Å; L1543-I1642 HydrophobicContact CB-CD1 4.47Å; L1543-I1642 HydrophobicContact CB-CG1 4.06Å; L1543-I1642 HydrophobicContact CD1-CG1 4.29Å; L1543-K1645 HydrophobicContact CD1-CG 4.29Å
1544	A	83.9	Confident	75.3	Confident	38 Å²	38	44 Å²	44	31%	0.314	25%	0.246	S	C	.	.	H	α-helix	trans	-53.9	-54.9	175.8	0	0	0	0	0	110.8	E1540 A1541 L1546 T1547 D1548	E1540-A1544 WeakPolarHBondContact O-CB 3.37Å; E1540-A1544 PolarHBondContact O-N 3.44Å; A1541-A1544 PolarHBondContact O-N 3Å; A1544-L1546 PolarHBondContact O-N 2.9Å; A1544-T1547 WeakPolarHBondContact CA-OG1 3.21Å; A1544-T1547 CarbonylContact O-C 3.14Å; A1544-T1547 WeakPolarHBondContact O-CA 3.35Å; A1544-T1547 PolarHBondContact O-N 3.26Å; A1544-T1547 PolarHBondContact O-OG1 3.31Å; A1544-D1548 VanDerWaalsContact C-OD2 3.24Å; A1544-D1548 PolarHBondContact O-N 2.97Å; A1544-D1548 VanDerWaalsContact O-OD2 3.1Å
1545	W	84.6	Confident	74.7	Confident	15 Å²	15	48.7 Å²	48.7	6%	0.057	27%	0.266	C	S	.	.	H	α-helix	trans	-56.2	-29.5	178.4	-173.7	92.6	0	0	0	114	L1518 S1521 L1522 A1541 N1553	L1518-W1545 HydrophobicContact CD2-CH2 4.39Å; L1518-W1545 HydrophobicContact CD2-CZ2 4.19Å; L1518-W1545 WeakPolarHBondContact O-CZ2 3.46Å; S1521-W1545 PolarHBondContact OG-NE1 3.07Å; L1522-W1545 HydrophobicContact CB-CD2 4.36Å; L1522-W1545 HydrophobicContact CB-CH2 4.09Å; L1522-W1545 HydrophobicContact CB-CZ2 3.93Å; L1522-W1545 HydrophobicContact CB-CZ3 4.38Å; L1522-W1545 HydrophobicContact CD1-CD2 4.05Å; L1522-W1545 HydrophobicContact CD1-CE3 3.88Å; L1522-W1545 HydrophobicContact CD1-CZ3 4.28Å; L1522-W1545 HydrophobicContact CD2-CZ3 4.49Å; A1541-W1545 WeakPolarHBondContact O-CB 3.49Å; A1541-W1545 PolarHBondContact O-N 2.88Å; W1545-N1553 HydrophobicContact CH2-CB 4.25Å; W1545-N1553 HydrophobicContact CZ2-CB 4.39Å; W1545-N1553 HydrophobicContact CZ3-CB 4.34Å; W1545-N1553 PolarHBondContact O-ND2 3Å
1546	L	74.6	Confident	74.2	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-81.2	-23.4	174.9	-68.4	167.9	0	0	0	113.4	V1542 L1543 A1544 L1554 W1557 I1642 L1646	V1542-L1546 HydrophobicContact CG1-CD1 4.15Å; V1542-L1546 WeakPolarHBondContact O-CD1 3.29Å; V1542-L1546 WeakPolarHBondContact O-CG 3.41Å; V1542-L1546 PolarHBondContact O-N 2.91Å; L1543-L1546 WeakPolarHBondContact O-CB 3.34Å; L1543-L1546 PolarHBondContact O-N 3.42Å; L1543-L1546 VanDerWaalsContact O-N 3.13Å; A1544-L1546 PolarHBondContact O-N 2.9Å; L1546-L1554 HydrophobicContact CD2-CD1 3.64Å; L1546-W1557 HydrophobicContact CD2-CZ3 4.23Å; L1546-I1642 HydrophobicContact CD1-CB 4.47Å; L1546-I1642 HydrophobicContact CD1-CG1 4.31Å; L1546-I1642 HydrophobicContact CD1-CG2 3.94Å; L1546-L1646 HydrophobicContact CD1-CD2 4.32Å; L1546-L1646 HydrophobicContact CD1-CG 4.42Å; L1546-L1646 HydrophobicContact CD2-CD2 4.05Å
1547	T	74.4	Confident	73.8	Confident	58 Å²	58	41.9 Å²	41.9	36%	0.356	25%	0.245	S	C	.	.	H	α-helix	trans	-92	-31.1	176.4	46.4	0	0	0	0	114	L1543 A1544 S1550 S1551	L1543-T1547 HydrophobicContact CD1-CG2 4.46Å; L1543-T1547 PolarHBondContact O-N 2.94Å; L1543-T1547 PolarHBondContact O-OG1 3.49Å; L1543-T1547 VanDerWaalsContact O-OG1 3.13Å; A1544-T1547 WeakPolarHBondContact CA-OG1 3.21Å; A1544-T1547 CarbonylContact O-C 3.14Å; A1544-T1547 WeakPolarHBondContact O-CA 3.35Å; A1544-T1547 PolarHBondContact O-N 3.26Å; A1544-T1547 PolarHBondContact O-OG1 3.31Å; T1547-S1550 PolarHBondContact O-N 3.2Å; T1547-S1551 PolarHBondContact O-N 3.01Å
1548	D	59	Low	73	Confident	80 Å²	80	41.5 Å²	41.5	43%	0.428	24%	0.24	S	C	.	.	H	α-helix	trans	-55.8	146	-172.1	-66.1	-26	0	0	0	113	A1544 S1550	A1544-D1548 VanDerWaalsContact C-OD2 3.24Å; A1544-D1548 PolarHBondContact O-N 2.97Å; A1544-D1548 VanDerWaalsContact O-OD2 3.1Å; D1548-S1550 VanDerWaalsContact C-N 3.32Å; D1548-S1550 PolarHBondContact O-N 3.46Å
1549	N	52.2	Low	71.9	Confident	132 Å²	132	49.4 Å²	49.4	71%	0.706	27%	0.27	S	S	*	.	H	α-helix	trans	49.5	48.3	-172.7	-70.7	-29.2	0	0	0	113.3	S1551 A1552	N1549-S1551 PolarHBondContact O-N 3.33Å; N1549-A1552 HydrophobicContact CB-CB 3.96Å; N1549-A1552 WeakPolarHBondContact O-CB 3.21Å; N1549-A1552 PolarHBondContact O-N 3.4Å
1550	S	50.1	Low	70.9	Confident	97 Å²	97	50.7 Å²	50.7	68%	0.678	28%	0.276	S	S	*	.	H	α-helix	trans	59.7	41.7	170.8	76.9	0	0	0	0	114.5	T1547 D1548 A1552 K1555	T1547-S1550 PolarHBondContact O-N 3.2Å; D1548-S1550 VanDerWaalsContact C-N 3.32Å; D1548-S1550 PolarHBondContact O-N 3.46Å; S1550-A1552 VanDerWaalsContact C-N 3.26Å; S1550-A1552 PolarHBondContact O-N 3.27Å; S1550-K1555 PolarHBondContact O-NZ 2.56Å
1551	S	59.7	Low	69.8	Low	36 Å²	36	45.5 Å²	45.5	25%	0.252	25%	0.253	S	S	.	.	H	α-helix	trans	61.4	24.3	-170.2	68.5	0	0	0	0	114.6	T1547 N1549 N1553 L1554 K1555	T1547-S1551 PolarHBondContact O-N 3.01Å; N1549-S1551 PolarHBondContact O-N 3.33Å; S1551-N1553 PolarHBondContact O-N 3.37Å; S1551-L1554 PolarHBondContact O-N 3.09Å; S1551-K1555 WeakPolarHBondContact O-CB 3.34Å; S1551-K1555 WeakPolarHBondContact O-CD 3.33Å; S1551-K1555 VanDerWaalsContact O-CG 3.24Å; S1551-K1555 WeakPolarHBondContact O-CG 3.25Å; S1551-K1555 PolarHBondContact O-N 2.84Å; S1551-K1555 WeakPolarHBondContact OG-CE 3.45Å; S1551-K1555 PolarHBondContact OG-NZ 3.26Å
1552	A	67.2	Low	68.7	Low	34 Å²	34	47.4 Å²	47.4	28%	0.281	26%	0.257	S	S	.	.	H	α-helix	trans	-58.1	-45.4	174.5	0	0	0	0	0	111.7	N1549 S1550 L1554 K1555 T1556	N1549-A1552 HydrophobicContact CB-CB 3.96Å; N1549-A1552 WeakPolarHBondContact O-CB 3.21Å; N1549-A1552 PolarHBondContact O-N 3.4Å; S1550-A1552 VanDerWaalsContact C-N 3.26Å; S1550-A1552 PolarHBondContact O-N 3.27Å; A1552-L1554 PolarHBondContact O-N 3.44Å; A1552-K1555 PolarHBondContact O-N 2.97Å; A1552-T1556 WeakPolarHBondContact O-CB 3.44Å; A1552-T1556 PolarHBondContact O-N 3.17Å; A1552-T1556 PolarHBondContact O-OG1 3.39Å
1553	N	70.6	Confident	67.3	Low	36 Å²	36	48.9 Å²	48.9	19%	0.193	27%	0.27	C	S	.	.	H	α-helix	trans	-56.5	-49.1	176.1	-69.8	-17	0	0	0	111.2	W1545 S1551 T1556 W1557	W1545-N1553 HydrophobicContact CH2-CB 4.25Å; W1545-N1553 HydrophobicContact CZ2-CB 4.39Å; W1545-N1553 HydrophobicContact CZ3-CB 4.34Å; W1545-N1553 PolarHBondContact O-ND2 3Å; S1551-N1553 PolarHBondContact O-N 3.37Å; N1553-T1556 PolarHBondContact O-N 2.9Å; N1553-W1557 VanDerWaalsContact O-CB 3.25Å; N1553-W1557 WeakPolarHBondContact O-CB 3.35Å; N1553-W1557 PolarHBondContact O-N 3.45Å
1554	L	67.3	Low	65.9	Low	13 Å²	13	47.9 Å²	47.9	7%	0.068	27%	0.265	C	S	.	.	H	α-helix	trans	-61.7	-47.2	178.2	-156.5	89.5	0	0	0	112.6	L1546 S1551 A1552 A1558 L1649	L1546-L1554 HydrophobicContact CD2-CD1 3.64Å; S1551-L1554 PolarHBondContact O-N 3.09Å; A1552-L1554 PolarHBondContact O-N 3.44Å; L1554-A1558 WeakPolarHBondContact O-CB 3.47Å; L1554-A1558 PolarHBondContact O-N 3.49Å; L1554-L1649 HydrophobicContact CD1-CD1 3.52Å; L1554-L1649 HydrophobicContact CD1-CG 4.47Å; L1554-L1649 HydrophobicContact CD2-CD1 4.17Å; L1554-L1649 HydrophobicContact CG-CD1 3.69Å; L1554-L1649 HydrophobicContact CG-CG 4.14Å
1555	K	68.2	Low	64.3	Low	98 Å²	98	47.9 Å²	47.9	43%	0.426	26%	0.263	S	S	.	.	H	α-helix	trans	-65.9	-36.4	178.8	-72.9	162.9	-179.7	159	0	112.1	S1550 S1551 A1552 R1559	S1550-K1555 PolarHBondContact O-NZ 2.56Å; S1551-K1555 WeakPolarHBondContact O-CB 3.34Å; S1551-K1555 WeakPolarHBondContact O-CD 3.33Å; S1551-K1555 VanDerWaalsContact O-CG 3.24Å; S1551-K1555 WeakPolarHBondContact O-CG 3.25Å; S1551-K1555 PolarHBondContact O-N 2.84Å; S1551-K1555 WeakPolarHBondContact OG-CE 3.45Å; S1551-K1555 PolarHBondContact OG-NZ 3.26Å; A1552-K1555 PolarHBondContact O-N 2.97Å; K1555-R1559 WeakPolarHBondContact O-CB 3.46Å; K1555-R1559 WeakPolarHBondContact O-CD 3.42Å; K1555-R1559 WeakPolarHBondContact O-CG 3.2Å; K1555-R1559 PolarHBondContact O-N 2.92Å
1556	T	70.4	Confident	62.3	Low	39 Å²	39	51.3 Å²	51.3	24%	0.239	29%	0.287	C	S	.	.	H	α-helix	trans	-75.6	-48.3	-177.9	-56.7	0	0	0	0	109.3	I1514 L1518 A1552 N1553 A1558 R1559 H1560	I1514-T1556 HydrophobicContact CG2-CG2 4.48Å; L1518-T1556 HydrophobicContact CD1-CG2 4.15Å; A1552-T1556 WeakPolarHBondContact O-CB 3.44Å; A1552-T1556 PolarHBondContact O-N 3.17Å; A1552-T1556 PolarHBondContact O-OG1 3.39Å; N1553-T1556 PolarHBondContact O-N 2.9Å; T1556-A1558 VanDerWaalsContact C-N 3.35Å; T1556-A1558 PolarHBondContact O-N 3.24Å; T1556-R1559 PolarHBondContact O-N 3.34Å; T1556-H1560 VanDerWaalsContact CG2-CD2 3.47Å; T1556-H1560 WeakPolarHBondContact CG2-CD2 3.5Å; T1556-H1560 WeakPolarHBondContact CG2-NE2 3.45Å; T1556-H1560 PolarHBondContact O-CD2 3.36Å; T1556-H1560 PolarHBondContact O-N 3.23Å
1557	W	70.6	Confident	60.8	Low	9 Å²	9	52.1 Å²	52.1	3%	0.034	29%	0.293	C	S	.	.	H	α-helix	trans	-54.9	-47.4	168.6	-179.8	19	0	0	0	112	L1518 F1519 L1546 N1553 R1559 H1560 C1561 L1614 L1646 L1649	L1518-W1557 HydrophobicContact CD1-CB 4.3Å; F1519-W1557 HydrophobicContact CZ-CZ2 4.39Å; L1546-W1557 HydrophobicContact CD2-CZ3 4.23Å; N1553-W1557 VanDerWaalsContact O-CB 3.25Å; N1553-W1557 WeakPolarHBondContact O-CB 3.35Å; N1553-W1557 PolarHBondContact O-N 3.45Å; W1557-R1559 PolarHBondContact O-N 2.92Å; W1557-H1560 PolarHBondContact O-N 3.4Å; W1557-C1561 PolarHBondContact NE1-SG 3.11Å; W1557-C1561 VanDerWaalsContact NE1-SG 3.4Å; W1557-C1561 VanDerWaalsContact O-CB 3.32Å; W1557-C1561 WeakPolarHBondContact O-CB 3.49Å; W1557-C1561 PolarHBondContact O-N 3.08Å; W1557-L1614 HydrophobicContact CH2-CD2 3.65Å; W1557-L1614 HydrophobicContact CZ2-CD2 4.07Å; W1557-L1646 HydrophobicContact CH2-CD2 3.6Å; W1557-L1646 HydrophobicContact CZ3-CD2 3.39Å; W1557-L1649 HydrophobicContact CD2-CD2 4.37Å; W1557-L1649 HydrophobicContact CE3-CD2 4.5Å
1558	A	65.3	Low	59.3	Low	9 Å²	9	50.4 Å²	50.4	7%	0.074	28%	0.282	C	S	.	.	H	α-helix	trans	-57.7	-50	175.1	0	0	0	0	0	112.1	L1554 T1556 H1560 Q1562 L1649	L1554-A1558 WeakPolarHBondContact O-CB 3.47Å; L1554-A1558 PolarHBondContact O-N 3.49Å; T1556-A1558 VanDerWaalsContact C-N 3.35Å; T1556-A1558 PolarHBondContact O-N 3.24Å; A1558-H1560 PolarHBondContact O-N 2.86Å; A1558-Q1562 WeakPolarHBondContact O-CA 3.28Å; A1558-Q1562 WeakPolarHBondContact O-CB 3.48Å; A1558-Q1562 PolarHBondContact O-N 3.11Å; A1558-L1649 HydrophobicContact CB-CD2 3.75Å; A1558-L1649 HydrophobicContact CB-CG 4.07Å
1559	R	65.1	Low	58.8	Low	166 Å²	166	49.3 Å²	49.3	63%	0.626	28%	0.275	S	S	*	.	H	α-helix	trans	-60.5	-44.9	178.8	-78.2	166.5	177.2	167.7	-3.3	112.5	K1555 T1556 W1557 Q1562 A1563	K1555-R1559 WeakPolarHBondContact O-CB 3.46Å; K1555-R1559 WeakPolarHBondContact O-CD 3.42Å; K1555-R1559 WeakPolarHBondContact O-CG 3.2Å; K1555-R1559 PolarHBondContact O-N 2.92Å; T1556-R1559 PolarHBondContact O-N 3.34Å; W1557-R1559 PolarHBondContact O-N 2.92Å; R1559-Q1562 PolarHBondContact O-N 3.48Å; R1559-A1563 WeakPolarHBondContact O-CB 3.34Å; R1559-A1563 PolarHBondContact O-N 3.41Å
1560	H	64.3	Low	58.8	Low	26 Å²	26	44.9 Å²	44.9	12%	0.12	25%	0.251	C	S	.	.	H	α-helix	trans	-75.8	-40.4	-178	-59.2	-57.9	0	0	0	112.2	Q1511 L1515 T1556 W1557 A1558 Q1562 A1563 L1564	Q1511-H1560 PolarHBondContact OE1-CE1 2.68Å; Q1511-H1560 PolarHBondContact OE1-ND1 3.31Å; L1515-H1560 HydrophobicContact CD1-CB 3.67Å; T1556-H1560 VanDerWaalsContact CG2-CD2 3.47Å; T1556-H1560 WeakPolarHBondContact CG2-CD2 3.5Å; T1556-H1560 WeakPolarHBondContact CG2-NE2 3.45Å; T1556-H1560 PolarHBondContact O-CD2 3.36Å; T1556-H1560 PolarHBondContact O-N 3.23Å; W1557-H1560 PolarHBondContact O-N 3.4Å; A1558-H1560 PolarHBondContact O-N 2.86Å; H1560-Q1562 VanDerWaalsContact C-N 3.31Å; H1560-Q1562 PolarHBondContact O-N 3.47Å; H1560-A1563 PolarHBondContact O-N 2.88Å; H1560-L1564 VanDerWaalsContact O-CB 3.32Å; H1560-L1564 WeakPolarHBondContact O-CB 3.27Å; H1560-L1564 VanDerWaalsContact O-CG 3.22Å; H1560-L1564 WeakPolarHBondContact O-CG 3.37Å; H1560-L1564 PolarHBondContact O-N 3.34Å
1561	C	62.1	Low	58.7	Low	11 Å²	11	43 Å²	43	7%	0.074	23%	0.232	C	C	.	.	H	α-helix	trans	-66.7	-31	170.4	-82	0	0	0	0	112.6	W1557 L1564 S1565 Y1611	W1557-C1561 PolarHBondContact NE1-SG 3.11Å; W1557-C1561 VanDerWaalsContact NE1-SG 3.4Å; W1557-C1561 VanDerWaalsContact O-CB 3.32Å; W1557-C1561 WeakPolarHBondContact O-CB 3.49Å; W1557-C1561 PolarHBondContact O-N 3.08Å; C1561-L1564 CarbonylContact O-C 3.51Å; C1561-S1565 VanDerWaalsContact O-CB 3.25Å; C1561-S1565 WeakPolarHBondContact O-CB 3.17Å; C1561-S1565 PolarHBondContact O-N 2.98Å; C1561-S1565 PolarHBondContact O-OG 3.09Å; C1561-Y1611 HydrophobicContact CB-CD2 3.5Å; C1561-Y1611 HydrophobicContact CB-CE2 3.65Å; C1561-Y1611 HydrophobicContact CB-CG 4.42Å
1562	Q	62.2	Low	58.1	Low	65 Å²	65	43 Å²	43	30%	0.304	23%	0.232	S	C	.	.	H	α-helix	trans	-69	-46.3	171.2	-170.8	177.7	10.7	0	0	110.7	A1558 R1559 H1560 L1564 S1565 C1566 T1652	A1558-Q1562 WeakPolarHBondContact O-CA 3.28Å; A1558-Q1562 WeakPolarHBondContact O-CB 3.48Å; A1558-Q1562 PolarHBondContact O-N 3.11Å; R1559-Q1562 PolarHBondContact O-N 3.48Å; H1560-Q1562 VanDerWaalsContact C-N 3.31Å; H1560-Q1562 PolarHBondContact O-N 3.47Å; Q1562-L1564 VanDerWaalsContact C-N 3.3Å; Q1562-L1564 PolarHBondContact O-N 3.42Å; Q1562-S1565 WeakPolarHBondContact CA-OG 3.25Å; Q1562-S1565 CarbonylContact O-C 3.19Å; Q1562-S1565 PolarHBondContact O-N 2.85Å; Q1562-S1565 PolarHBondContact O-OG 3.5Å; Q1562-C1566 WeakPolarHBondContact O-CB 3.29Å; Q1562-C1566 PolarHBondContact O-N 3.05Å; Q1562-C1566 PolarHBondContact O-SG 3.47Å; Q1562-T1652 PolarHBondContact NE2-OG1 2.81Å
1563	A	56.2	Low	57.3	Low	33 Å²	33	42.6 Å²	42.6	27%	0.273	23%	0.226	S	C	.	.	H	α-helix	trans	-58.2	-42.9	174.8	0	0	0	0	0	111.8	R1559 H1560 S1565 S1567	R1559-A1563 WeakPolarHBondContact O-CB 3.34Å; R1559-A1563 PolarHBondContact O-N 3.41Å; H1560-A1563 PolarHBondContact O-N 2.88Å; A1563-S1565 VanDerWaalsContact C-N 3.29Å; A1563-S1565 PolarHBondContact O-N 3.36Å; A1563-S1567 WeakPolarHBondContact O-CB 3.43Å; A1563-S1567 PolarHBondContact O-N 3.08Å; A1563-S1567 VanDerWaalsContact O-N 3.08Å; A1563-S1567 PolarHBondContact O-OG 2.75Å; A1563-S1567 VanDerWaalsContact O-OG 3.09Å
1564	L	55.6	Low	56.7	Low	7 Å²	7	46 Å²	46	4%	0.037	24%	0.236	C	C	.	.	H	α-helix	trans	-75.8	-6.6	175.8	-64.8	172.1	0	0	0	114.1	C1508 I1512 L1515 H1560 C1561 Q1562 S1567 N1568 L1604 M1607	C1508-L1564 HydrophobicContact CB-CD2 3.95Å; I1512-L1564 HydrophobicContact CG1-CD2 4.35Å; L1515-L1564 HydrophobicContact CD2-CD1 4.11Å; H1560-L1564 VanDerWaalsContact O-CB 3.32Å; H1560-L1564 WeakPolarHBondContact O-CB 3.27Å; H1560-L1564 VanDerWaalsContact O-CG 3.22Å; H1560-L1564 WeakPolarHBondContact O-CG 3.37Å; H1560-L1564 PolarHBondContact O-N 3.34Å; C1561-L1564 CarbonylContact O-C 3.51Å; Q1562-L1564 VanDerWaalsContact C-N 3.3Å; Q1562-L1564 PolarHBondContact O-N 3.42Å; L1564-S1567 PolarHBondContact O-OG 3.02Å; L1564-N1568 PolarHBondContact O-ND2 2.97Å; L1564-L1604 HydrophobicContact CB-CD2 4.45Å; L1564-L1604 HydrophobicContact CD1-CD2 4.31Å; L1564-L1604 HydrophobicContact CD2-CD2 3.94Å; L1564-L1604 HydrophobicContact CG-CD2 4.47Å; L1564-M1607 HydrophobicContact CD1-CE 4.33Å; L1564-M1607 HydrophobicContact CD1-SD 3.91Å
1565	S	49.8	Very low	56.3	Low	38 Å²	38	50 Å²	50	27%	0.266	25%	0.254	S	S	.	.	H	α-helix	trans	-111.9	-22.8	173.9	58.4	0	0	0	0	114.1	C1561 Q1562 A1563 N1568	C1561-S1565 VanDerWaalsContact O-CB 3.25Å; C1561-S1565 WeakPolarHBondContact O-CB 3.17Å; C1561-S1565 PolarHBondContact O-N 2.98Å; C1561-S1565 PolarHBondContact O-OG 3.09Å; Q1562-S1565 WeakPolarHBondContact CA-OG 3.25Å; Q1562-S1565 CarbonylContact O-C 3.19Å; Q1562-S1565 PolarHBondContact O-N 2.85Å; Q1562-S1565 PolarHBondContact O-OG 3.5Å; A1563-S1565 VanDerWaalsContact C-N 3.29Å; A1563-S1565 PolarHBondContact O-N 3.36Å; S1565-N1568 WeakPolarHBondContact O-CA 3.23Å; S1565-N1568 WeakPolarHBondContact O-CB 3.24Å; S1565-N1568 PolarHBondContact O-N 3.43Å
1566	C	42.8	Very low	55.7	Low	86 Å²	86	47.9 Å²	47.9	58%	0.581	25%	0.252	S	S	*	.	H	α-helix	trans	-83	-29.3	170.6	-67	0	0	0	0	112.3	Q1562 N1568	Q1562-C1566 WeakPolarHBondContact O-CB 3.29Å; Q1562-C1566 PolarHBondContact O-N 3.05Å; Q1562-C1566 PolarHBondContact O-SG 3.47Å; C1566-N1568 PolarHBondContact O-N 2.72Å
1567	S	44.5	Very low	55.3	Low	21 Å²	21	47.4 Å²	47.4	15%	0.147	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.6	160	64	0	0	0	0	111.1	A1563 L1564 M1569 V1573	A1563-S1567 WeakPolarHBondContact O-CB 3.43Å; A1563-S1567 PolarHBondContact O-N 3.08Å; A1563-S1567 VanDerWaalsContact O-N 3.08Å; A1563-S1567 PolarHBondContact O-OG 2.75Å; A1563-S1567 VanDerWaalsContact O-OG 3.09Å; L1564-S1567 PolarHBondContact O-OG 3.02Å; S1567-M1569 CarbonylContact O-C 3.57Å; S1567-M1569 PolarHBondContact O-N 3.21Å; S1567-V1573 WeakPolarHBondContact O-CG2 3.12Å
1568	N	43	Very low	55.2	Low	22 Å²	22	51 Å²	51	12%	0.118	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	38.4	179.9	-72.9	-23.7	0	0	0	115.8	L1564 S1565 C1566 L1570	L1564-N1568 PolarHBondContact O-ND2 2.97Å; S1565-N1568 WeakPolarHBondContact O-CA 3.23Å; S1565-N1568 WeakPolarHBondContact O-CB 3.24Å; S1565-N1568 PolarHBondContact O-N 3.43Å; C1566-N1568 PolarHBondContact O-N 2.72Å; N1568-L1570 HydrophobicContact CB-CG 3.94Å; N1568-L1570 PolarHBondContact O-N 3.23Å; N1568-L1570 WeakPolarHBondContact OD1-CD2 3.4Å; N1568-L1570 VanDerWaalsContact OD1-CG 3.24Å; N1568-L1570 WeakPolarHBondContact OD1-CG 3.47Å
1569	M	47	Very low	55.3	Low	57 Å²	57	52.3 Å²	52.3	28%	0.281	27%	0.268	S	S	.	.				-66.8	67.6	125.7	-104.8	-73.9	-59.9	0	0	108.2	S1567 E1571 S1572 V1573 R1699	S1567-M1569 CarbonylContact O-C 3.57Å; S1567-M1569 PolarHBondContact O-N 3.21Å; M1569-E1571 PolarHBondContact O-N 2.95Å; M1569-S1572 WeakPolarHBondContact CE-OG 3.3Å; M1569-S1572 WeakPolarHBondContact O-CA 3.48Å; M1569-S1572 PolarHBondContact O-N 2.79Å; M1569-V1573 PolarHBondContact O-N 3.24Å; M1569-R1699 HydrophobicContact SD-CG 4.39Å
1570	L	52	Low	55.5	Low	40 Å²	40	45.5 Å²	45.5	21%	0.209	24%	0.243	C	C	.	.	H	α-helix	trans	-51.1	-34.3	-172.2	-90.1	169.3	0	0	0	111.9	N1568 R1574 I1601	N1568-L1570 HydrophobicContact CB-CG 3.94Å; N1568-L1570 PolarHBondContact O-N 3.23Å; N1568-L1570 WeakPolarHBondContact OD1-CD2 3.4Å; N1568-L1570 VanDerWaalsContact OD1-CG 3.24Å; N1568-L1570 WeakPolarHBondContact OD1-CG 3.47Å; L1570-R1574 VanDerWaalsContact O-CB 3.27Å; L1570-R1574 WeakPolarHBondContact O-CB 3.41Å; L1570-R1574 VanDerWaalsContact O-CD 3.3Å; L1570-R1574 WeakPolarHBondContact O-CD 3.43Å; L1570-R1574 WeakPolarHBondContact O-CG 3.45Å; L1570-R1574 PolarHBondContact O-N 2.83Å; L1570-I1601 HydrophobicContact CD2-CG2 4.04Å
1571	E	48.5	Very low	55.8	Low	57 Å²	57	46.1 Å²	46.1	27%	0.266	25%	0.248	S	C	.	.	H	α-helix	trans	-76.8	-28.5	179.2	-158.3	53	-142.8	0	0	113.7	M1569 R1574 H1575 R1578	M1569-E1571 PolarHBondContact O-N 2.95Å; E1571-R1574 WeakPolarHBondContact OE2-CD 3.3Å; E1571-R1574 IonicContact OE2-CZ 3.43Å; E1571-R1574 IonicContact OE2-NE 3.57Å; E1571-R1574 IonicContact OE2-NH1 3.13Å; E1571-R1574 PolarHBondContact OE2-NH1 3.4Å; E1571-H1575 WeakPolarHBondContact O-CB 3.38Å; E1571-H1575 PolarHBondContact O-N 3.48Å; E1571-R1578 IonicContact OE1-CZ 3.75Å; E1571-R1578 IonicContact OE1-NH1 2.6Å; E1571-R1578 IonicContact OE1-NH2 3.95Å; E1571-R1578 PolarHBondContact OE1-NH2 2.71Å
1572	S	46.6	Very low	56.3	Low	36 Å²	36	52.6 Å²	52.6	25%	0.252	27%	0.271	S	S	.	.	H	α-helix	trans	-73	-41.5	166.4	-87.2	0	0	0	0	111.7	M1569 H1575 S1576	M1569-S1572 WeakPolarHBondContact CE-OG 3.3Å; M1569-S1572 WeakPolarHBondContact O-CA 3.48Å; M1569-S1572 PolarHBondContact O-N 2.79Å; S1572-H1575 CarbonylContact O-C 3.46Å; S1572-H1575 WeakPolarHBondContact O-CA 3.4Å; S1572-H1575 WeakPolarHBondContact O-CB 3.4Å; S1572-H1575 PolarHBondContact O-N 3.4Å; S1572-S1576 PolarHBondContact O-N 3.07Å; S1572-S1576 PolarHBondContact O-OG 2.85Å
1573	V	50.2	Low	56.9	Low	25 Å²	25	58.1 Å²	58.1	15%	0.152	29%	0.289	C	S	.	.	H	α-helix	trans	-61.8	-45.8	174.4	161.4	0	0	0	0	110.6	L1507 S1567 M1569 H1575 S1576 V1577	L1507-V1573 HydrophobicContact CD2-CG1 3.47Å; L1507-V1573 VanDerWaalsContact CD2-CG1 3.47Å; S1567-V1573 WeakPolarHBondContact O-CG2 3.12Å; M1569-V1573 PolarHBondContact O-N 3.24Å; V1573-H1575 PolarHBondContact O-N 2.93Å; V1573-S1576 PolarHBondContact O-N 3.27Å; V1573-V1577 HydrophobicContact CG1-CG2 4.23Å; V1573-V1577 WeakPolarHBondContact O-CB 3.47Å; V1573-V1577 WeakPolarHBondContact O-CG2 3.09Å; V1573-V1577 PolarHBondContact O-N 2.73Å
1574	R	58	Low	57.8	Low	107 Å²	107	59.7 Å²	59.7	40%	0.404	29%	0.29	S	S	.	.	H	α-helix	trans	-57.8	-33	170.8	-72.2	161.7	180	176.4	-0.5	112.5	L1570 E1571 R1578 I1601	L1570-R1574 VanDerWaalsContact O-CB 3.27Å; L1570-R1574 WeakPolarHBondContact O-CB 3.41Å; L1570-R1574 VanDerWaalsContact O-CD 3.3Å; L1570-R1574 WeakPolarHBondContact O-CD 3.43Å; L1570-R1574 WeakPolarHBondContact O-CG 3.45Å; L1570-R1574 PolarHBondContact O-N 2.83Å; E1571-R1574 WeakPolarHBondContact OE2-CD 3.3Å; E1571-R1574 IonicContact OE2-CZ 3.43Å; E1571-R1574 IonicContact OE2-NE 3.57Å; E1571-R1574 IonicContact OE2-NH1 3.13Å; E1571-R1574 PolarHBondContact OE2-NH1 3.4Å; R1574-R1578 WeakPolarHBondContact O-CB 3.42Å; R1574-R1578 VanDerWaalsContact O-CG 3.31Å; R1574-R1578 WeakPolarHBondContact O-CG 3.45Å; R1574-R1578 PolarHBondContact O-N 3.12Å; R1574-R1578 VanDerWaalsContact O-N 3.11Å; R1574-R1578 PolarHBondContact O-NE 3.33Å; R1574-I1601 HydrophobicContact CG-CD1 4.4Å
1575	H	59.3	Low	58.8	Low	97 Å²	97	63.6 Å²	63.6	45%	0.449	32%	0.316	S	S	.	.	H	α-helix	trans	-73.3	-50.9	176.7	-156.2	78.9	0	0	0	111.1	E1571 S1572 V1573 V1577 R1578 D1579	E1571-H1575 WeakPolarHBondContact O-CB 3.38Å; E1571-H1575 PolarHBondContact O-N 3.48Å; S1572-H1575 CarbonylContact O-C 3.46Å; S1572-H1575 WeakPolarHBondContact O-CA 3.4Å; S1572-H1575 WeakPolarHBondContact O-CB 3.4Å; S1572-H1575 PolarHBondContact O-N 3.4Å; V1573-H1575 PolarHBondContact O-N 2.93Å; H1575-V1577 VanDerWaalsContact C-N 3.32Å; H1575-V1577 PolarHBondContact O-N 2.94Å; H1575-R1578 CarbonylContact O-C 3.47Å; H1575-R1578 WeakPolarHBondContact O-CA 3.34Å; H1575-R1578 WeakPolarHBondContact O-CB 3.01Å; H1575-R1578 PolarHBondContact O-N 2.74Å; H1575-D1579 IonicContact CD2-OD2 2.68Å; H1575-D1579 PolarHBondContact CD2-OD2 2.88Å; H1575-D1579 IonicContact CG-OD2 2.66Å; H1575-D1579 IonicContact NE2-OD2 3.25Å; H1575-D1579 PolarHBondContact NE2-OD2 2.95Å; H1575-D1579 PolarHBondContact O-N 2.92Å
1576	S	55.6	Low	59.8	Low	55 Å²	55	65.6 Å²	65.6	39%	0.385	32%	0.324	S	S	.	.	H	α-helix	trans	-60.2	-38.4	176.2	-58	0	0	0	0	112.6	S1572 V1573 D1579 Y1580	S1572-S1576 PolarHBondContact O-N 3.07Å; S1572-S1576 PolarHBondContact O-OG 2.85Å; V1573-S1576 PolarHBondContact O-N 3.27Å; S1576-D1579 PolarHBondContact O-N 3.31Å; S1576-Y1580 VanDerWaalsContact O-CB 3.24Å; S1576-Y1580 WeakPolarHBondContact O-CB 3.49Å; S1576-Y1580 PolarHBondContact O-N 3.21Å
1577	V	63.6	Low	61.2	Low	28 Å²	28	61.5 Å²	61.5	17%	0.17	30%	0.297	C	S	.	.	H	α-helix	trans	-65.4	-42.4	171.3	172.4	0	0	0	0	111	L1503 L1507 V1573 H1575 D1579 Y1580 V1581 L1591	L1503-V1577 HydrophobicContact CD1-CG2 4.19Å; L1507-V1577 HydrophobicContact CD1-CG2 4.47Å; L1507-V1577 HydrophobicContact CD2-CG2 3.89Å; L1507-V1577 HydrophobicContact CG-CG2 4.41Å; V1573-V1577 HydrophobicContact CG1-CG2 4.23Å; V1573-V1577 WeakPolarHBondContact O-CB 3.47Å; V1573-V1577 WeakPolarHBondContact O-CG2 3.09Å; V1573-V1577 PolarHBondContact O-N 2.73Å; H1575-V1577 VanDerWaalsContact C-N 3.32Å; H1575-V1577 PolarHBondContact O-N 2.94Å; V1577-D1579 VanDerWaalsContact C-N 3.35Å; V1577-D1579 PolarHBondContact O-N 3.29Å; V1577-Y1580 PolarHBondContact O-N 2.75Å; V1577-V1581 HydrophobicContact CG1-CG2 4.41Å; V1577-V1581 VanDerWaalsContact O-CB 3.25Å; V1577-V1581 WeakPolarHBondContact O-CB 3.39Å; V1577-V1581 WeakPolarHBondContact O-CG2 3.25Å; V1577-V1581 PolarHBondContact O-N 3.04Å; V1577-L1591 HydrophobicContact CG1-CD1 4.21Å
1578	R	66.9	Low	62.4	Low	84 Å²	84	62.4 Å²	62.4	32%	0.317	30%	0.301	S	S	.	.	H	α-helix	trans	-60.9	-42.4	173.1	-85.1	173	-74	-172.9	-6.1	111.7	E1571 R1574 H1575 V1581 R1582	E1571-R1578 IonicContact OE1-CZ 3.75Å; E1571-R1578 IonicContact OE1-NH1 2.6Å; E1571-R1578 IonicContact OE1-NH2 3.95Å; E1571-R1578 PolarHBondContact OE1-NH2 2.71Å; R1574-R1578 WeakPolarHBondContact O-CB 3.42Å; R1574-R1578 VanDerWaalsContact O-CG 3.31Å; R1574-R1578 WeakPolarHBondContact O-CG 3.45Å; R1574-R1578 PolarHBondContact O-N 3.12Å; R1574-R1578 VanDerWaalsContact O-N 3.11Å; R1574-R1578 PolarHBondContact O-NE 3.33Å; H1575-R1578 CarbonylContact O-C 3.47Å; H1575-R1578 WeakPolarHBondContact O-CA 3.34Å; H1575-R1578 WeakPolarHBondContact O-CB 3.01Å; H1575-R1578 PolarHBondContact O-N 2.74Å; R1578-V1581 PolarHBondContact O-N 3.3Å; R1578-R1582 WeakPolarHBondContact O-CB 3.1Å; R1578-R1582 WeakPolarHBondContact O-CD 3.34Å; R1578-R1582 WeakPolarHBondContact O-CG 3.24Å; R1578-R1582 PolarHBondContact O-N 3.1Å
1579	D	66.9	Low	63.2	Low	38 Å²	38	65.3 Å²	65.3	20%	0.203	32%	0.321	C	S	.	.	H	α-helix	trans	-81.2	-16.9	-177.9	-65.5	-25.5	0	0	0	113.7	H1575 S1576 V1577 R1582 R1583	H1575-D1579 IonicContact CD2-OD2 2.68Å; H1575-D1579 PolarHBondContact CD2-OD2 2.88Å; H1575-D1579 IonicContact CG-OD2 2.66Å; H1575-D1579 IonicContact NE2-OD2 3.25Å; H1575-D1579 PolarHBondContact NE2-OD2 2.95Å; H1575-D1579 PolarHBondContact O-N 2.92Å; S1576-D1579 PolarHBondContact O-N 3.31Å; V1577-D1579 VanDerWaalsContact C-N 3.35Å; V1577-D1579 PolarHBondContact O-N 3.29Å; D1579-R1582 WeakPolarHBondContact OD1-CD 3.4Å; D1579-R1582 IonicContact OD1-CZ 3.03Å; D1579-R1582 IonicContact OD1-NE 3.48Å; D1579-R1582 IonicContact OD1-NH1 2.78Å; D1579-R1582 PolarHBondContact OD1-NH1 3.47Å; D1579-R1583 PolarHBondContact O-NE 3.04Å; D1579-R1583 PolarHBondContact O-NH2 3.26Å
1580	Y	70.7	Confident	63.9	Low	23 Å²	23	65.3 Å²	65.3	9%	0.09	32%	0.322	C	S	.	.	H	α-helix	trans	-78.8	-48.4	165.7	-168.9	-86.6	0	0	0	109.7	E1499 H1500 L1503 S1576 V1577 R1582 R1583 H1584 I1587	E1499-Y1580 PolarHBondContact O-OH 3.49Å; H1500-Y1580 AromaticContact ND1-CE1 3.75Å; H1500-Y1580 AromaticContact ND1-CZ 3.84Å; H1500-Y1580 PolarHBondContact ND1-OH 2.95Å; L1503-Y1580 HydrophobicContact CB-CD1 4.37Å; L1503-Y1580 HydrophobicContact CB-CE1 4.24Å; L1503-Y1580 HydrophobicContact CD1-CD1 4.21Å; L1503-Y1580 HydrophobicContact CD1-CD2 4.41Å; L1503-Y1580 HydrophobicContact CD1-CG 3.95Å; L1503-Y1580 HydrophobicContact CD2-CD1 3.75Å; L1503-Y1580 HydrophobicContact CD2-CE1 4.16Å; L1503-Y1580 HydrophobicContact CD2-CG 4.33Å; L1503-Y1580 HydrophobicContact CG-CD1 4.33Å; S1576-Y1580 VanDerWaalsContact O-CB 3.24Å; S1576-Y1580 WeakPolarHBondContact O-CB 3.49Å; S1576-Y1580 PolarHBondContact O-N 3.21Å; V1577-Y1580 PolarHBondContact O-N 2.75Å; Y1580-R1582 PolarHBondContact O-N 3.31Å; Y1580-R1583 CarbonylContact O-C 3.59Å; Y1580-R1583 WeakPolarHBondContact O-CA 3.41Å; Y1580-R1583 PolarHBondContact O-N 2.94Å; Y1580-H1584 HydrophobicContact CD1-CB 4.19Å; Y1580-H1584 AromaticContact CD1-CD2 3.95Å; Y1580-H1584 AromaticContact CD2-CD2 3.91Å; Y1580-H1584 HydrophobicContact CE1-CB 3.83Å; Y1580-H1584 AromaticContact CE1-CD2 3.57Å; Y1580-H1584 AromaticContact CE1-CG 3.81Å; Y1580-H1584 AromaticContact CE2-CD2 3.5Å; Y1580-H1584 AromaticContact CE2-NE2 3.81Å; Y1580-H1584 AromaticContact CZ-CD2 3.31Å; Y1580-H1584 AromaticContact CZ-CG 3.84Å; Y1580-H1584 AromaticContact CZ-NE2 3.82Å; Y1580-H1584 PolarHBondContact O-N 3.13Å; Y1580-I1587 HydrophobicContact CD1-CD1 4.44Å; Y1580-I1587 HydrophobicContact CD1-CG2 4.4Å; Y1580-I1587 HydrophobicContact CE1-CD1 4Å
1581	V	71.4	Confident	64.3	Low	39 Å²	39	64.9 Å²	64.9	24%	0.236	32%	0.32	C	S	.	.	H	α-helix	trans	-57.9	-31.3	173.5	163.3	0	0	0	0	113.3	V1577 R1578 R1583 H1584 I1587 V1588 L1591	V1577-V1581 HydrophobicContact CG1-CG2 4.41Å; V1577-V1581 VanDerWaalsContact O-CB 3.25Å; V1577-V1581 WeakPolarHBondContact O-CB 3.39Å; V1577-V1581 WeakPolarHBondContact O-CG2 3.25Å; V1577-V1581 PolarHBondContact O-N 3.04Å; R1578-V1581 PolarHBondContact O-N 3.3Å; V1581-R1583 VanDerWaalsContact C-N 3.32Å; V1581-H1584 CarbonylContact O-C 3.55Å; V1581-I1587 HydrophobicContact CG2-CG2 3.76Å; V1581-V1588 HydrophobicContact CG1-CG2 3.61Å; V1581-L1591 HydrophobicContact CG2-CD1 3.54Å
1582	R	72.2	Confident	64.7	Low	146 Å²	146	68.6 Å²	68.6	55%	0.551	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-24.2	172.4	-80.2	162	161.3	-179.8	-13.1	114.1	S1061 R1578 D1579 Y1580	S1061-R1582 PolarHBondContact OG-NH2 3.13Å; R1578-R1582 WeakPolarHBondContact O-CB 3.1Å; R1578-R1582 WeakPolarHBondContact O-CD 3.34Å; R1578-R1582 WeakPolarHBondContact O-CG 3.24Å; R1578-R1582 PolarHBondContact O-N 3.1Å; D1579-R1582 WeakPolarHBondContact OD1-CD 3.4Å; D1579-R1582 IonicContact OD1-CZ 3.03Å; D1579-R1582 IonicContact OD1-NE 3.48Å; D1579-R1582 IonicContact OD1-NH1 2.78Å; D1579-R1582 PolarHBondContact OD1-NH1 3.47Å; Y1580-R1582 PolarHBondContact O-N 3.31Å
1583	R	73.9	Confident	64.8	Low	182 Å²	182	70.2 Å²	70.2	69%	0.687	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-24.8	179.1	-78.7	178.6	-79.7	-171.9	-7.4	112.9	D1579 Y1580 V1581	D1579-R1583 PolarHBondContact O-NE 3.04Å; D1579-R1583 PolarHBondContact O-NH2 3.26Å; Y1580-R1583 CarbonylContact O-C 3.59Å; Y1580-R1583 WeakPolarHBondContact O-CA 3.41Å; Y1580-R1583 PolarHBondContact O-N 2.94Å; V1581-R1583 VanDerWaalsContact C-N 3.32Å
1584	H	74.5	Confident	64.3	Low	65 Å²	65	79.3 Å²	79.3	30%	0.301	38%	0.377	S	S	.	.			trans	-127.1	78.4	177.9	-61.8	-78.4	0	0	0	108.9	Y1580 V1581 D1586 I1587	Y1580-H1584 HydrophobicContact CD1-CB 4.19Å; Y1580-H1584 AromaticContact CD1-CD2 3.95Å; Y1580-H1584 AromaticContact CD2-CD2 3.91Å; Y1580-H1584 HydrophobicContact CE1-CB 3.83Å; Y1580-H1584 AromaticContact CE1-CD2 3.57Å; Y1580-H1584 AromaticContact CE1-CG 3.81Å; Y1580-H1584 AromaticContact CE2-CD2 3.5Å; Y1580-H1584 AromaticContact CE2-NE2 3.81Å; Y1580-H1584 AromaticContact CZ-CD2 3.31Å; Y1580-H1584 AromaticContact CZ-CG 3.84Å; Y1580-H1584 AromaticContact CZ-NE2 3.82Å; Y1580-H1584 PolarHBondContact O-N 3.13Å; V1581-H1584 CarbonylContact O-C 3.55Å; H1584-D1586 WeakPolarHBondContact CA-OD1 3.45Å; H1584-D1586 WeakPolarHBondContact CB-OD1 3.23Å; H1584-D1586 PolarHBondContact O-N 3.34Å; H1584-I1587 VanDerWaalsContact O-CG2 3.27Å; H1584-I1587 WeakPolarHBondContact O-CG2 3.05Å; H1584-I1587 PolarHBondContact O-N 3.5Å
1585	P	76.6	Confident	63.8	Low	89 Å²	89	79.9 Å²	79.9	58%	0.578	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-67.4	-22.4	178.1	29.6	-35.1	0	0	0	112.5	I1587 V1588	P1585-I1587 PolarHBondContact O-N 2.99Å; P1585-V1588 WeakPolarHBondContact O-CB 3.05Å; P1585-V1588 WeakPolarHBondContact O-CG2 3.15Å; P1585-V1588 PolarHBondContact O-N 3.48Å
1586	D	72.1	Confident	63.3	Low	81 Å²	81	76.3 Å²	76.3	43%	0.433	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-56.4	-27.5	170.4	51.8	-61.9	0	0	0	114	H1500 H1584 V1588 P1589	H1500-D1586 IonicContact CE1-OD2 3.21Å; H1500-D1586 PolarHBondContact CE1-OD2 2.87Å; H1500-D1586 IonicContact NE2-OD2 3.19Å; H1500-D1586 PolarHBondContact NE2-OD2 3.49Å; H1584-D1586 WeakPolarHBondContact CA-OD1 3.45Å; H1584-D1586 WeakPolarHBondContact CB-OD1 3.23Å; H1584-D1586 PolarHBondContact O-N 3.34Å; D1586-V1588 VanDerWaalsContact C-N 3.3Å; D1586-V1588 PolarHBondContact O-N 2.84Å; D1586-P1589 VanDerWaalsContact O-CD 3.31Å; D1586-P1589 WeakPolarHBondContact O-CD 3.25Å
1587	I	72.3	Confident	62.9	Low	0 Å²	0	80.2 Å²	80.2	0%	0	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-79.4	-10.3	173.9	-150.1	176.5	0	0	0	113.4	W1496 H1500 L1503 Y1580 V1581 H1584 P1585 L1590 L1591	W1496-I1587 HydrophobicContact CZ3-CD1 3.95Å; H1500-I1587 HydrophobicContact CB-CD1 3.8Å; H1500-I1587 VanDerWaalsContact CD2-CD1 3.45Å; H1500-I1587 WeakPolarHBondContact CD2-CD1 3.4Å; H1500-I1587 VanDerWaalsContact CD2-CG1 3.42Å; H1500-I1587 WeakPolarHBondContact CD2-CG1 3.25Å; H1500-I1587 VanDerWaalsContact CG-CD1 3.5Å; L1503-I1587 HydrophobicContact CD2-CD1 3.69Å; Y1580-I1587 HydrophobicContact CD1-CD1 4.44Å; Y1580-I1587 HydrophobicContact CD1-CG2 4.4Å; Y1580-I1587 HydrophobicContact CE1-CD1 4Å; V1581-I1587 HydrophobicContact CG2-CG2 3.76Å; H1584-I1587 VanDerWaalsContact O-CG2 3.27Å; H1584-I1587 WeakPolarHBondContact O-CG2 3.05Å; H1584-I1587 PolarHBondContact O-N 3.5Å; P1585-I1587 PolarHBondContact O-N 2.99Å; I1587-L1590 HydrophobicContact CG1-CB 4.29Å; I1587-L1590 HydrophobicContact CG1-CD1 4.33Å; I1587-L1590 PolarHBondContact O-N 3.04Å; I1587-L1591 HydrophobicContact CG1-CG 4.41Å; I1587-L1591 HydrophobicContact CG2-CD1 3.97Å; I1587-L1591 PolarHBondContact O-N 2.99Å
1588	V	68.6	Low	62	Low	39 Å²	39	87.1 Å²	87.1	24%	0.236	41%	0.406	C	S	.	.	H	α-helix	trans	-57.6	-46.4	-176	172.9	0	0	0	0	112.4	V1581 P1585 D1586 L1590 L1591 Q1592	V1581-V1588 HydrophobicContact CG1-CG2 3.61Å; P1585-V1588 WeakPolarHBondContact O-CB 3.05Å; P1585-V1588 WeakPolarHBondContact O-CG2 3.15Å; P1585-V1588 PolarHBondContact O-N 3.48Å; D1586-V1588 VanDerWaalsContact C-N 3.3Å; D1586-V1588 PolarHBondContact O-N 2.84Å; V1588-L1590 VanDerWaalsContact C-N 3.34Å; V1588-L1590 PolarHBondContact O-N 3.17Å; V1588-L1591 CarbonylContact O-C 2.89Å; V1588-L1591 PolarHBondContact O-N 2.9Å; V1588-Q1592 HydrophobicContact CG1-CG 3.85Å; V1588-Q1592 WeakPolarHBondContact O-CB 3.32Å; V1588-Q1592 VanDerWaalsContact O-CG 3.29Å; V1588-Q1592 WeakPolarHBondContact O-CG 3.47Å; V1588-Q1592 PolarHBondContact O-N 3.49Å
1589	P	60.8	Low	61.2	Low	83 Å²	83	85.5 Å²	85.5	54%	0.539	41%	0.406	S	S	.	.	H	α-helix	trans	-59.1	-41.2	176.4	-24.7	36.2	0	0	0	113.1	D1586 L1591 Q1592 T1593	D1586-P1589 VanDerWaalsContact O-CD 3.31Å; D1586-P1589 WeakPolarHBondContact O-CD 3.25Å; P1589-L1591 VanDerWaalsContact C-N 3.31Å; P1589-L1591 PolarHBondContact O-N 3.1Å; P1589-Q1592 PolarHBondContact O-N 2.73Å; P1589-Q1592 VanDerWaalsContact O-N 3.16Å; P1589-T1593 PolarHBondContact O-N 3.46Å
1590	L	61.7	Low	60.5	Low	58 Å²	58	84.9 Å²	84.9	30%	0.304	40%	0.402	S	S	.	.	H	α-helix	trans	-66.2	-30.8	178.1	-67.6	172	0	0	0	112.6	P1497 I1587 V1588 T1593 N1596	P1497-L1590 HydrophobicContact CG-CD1 3.72Å; I1587-L1590 HydrophobicContact CG1-CB 4.29Å; I1587-L1590 HydrophobicContact CG1-CD1 4.33Å; I1587-L1590 PolarHBondContact O-N 3.04Å; V1588-L1590 VanDerWaalsContact C-N 3.34Å; V1588-L1590 PolarHBondContact O-N 3.17Å; L1590-T1593 PolarHBondContact O-OG1 3.07Å; L1590-N1596 PolarHBondContact O-ND2 3.11Å
1591	L	60.5	Low	59.8	Low	31 Å²	31	86.2 Å²	86.2	16%	0.162	41%	0.41	C	S	.	.	H	α-helix	trans	-88.7	-14	173.5	-64.5	179.1	0	0	0	113.6	W1496 L1503 V1577 V1581 I1587 V1588 P1589	W1496-L1591 HydrophobicContact CH2-CD2 4.08Å; L1503-L1591 HydrophobicContact CD2-CD1 4.5Å; V1577-L1591 HydrophobicContact CG1-CD1 4.21Å; V1581-L1591 HydrophobicContact CG2-CD1 3.54Å; I1587-L1591 HydrophobicContact CG1-CG 4.41Å; I1587-L1591 HydrophobicContact CG2-CD1 3.97Å; I1587-L1591 PolarHBondContact O-N 2.99Å; V1588-L1591 CarbonylContact O-C 2.89Å; V1588-L1591 PolarHBondContact O-N 2.9Å; P1589-L1591 VanDerWaalsContact C-N 3.31Å; P1589-L1591 PolarHBondContact O-N 3.1Å
1592	Q	55.6	Low	58.8	Low	135 Å²	135	87.9 Å²	87.9	63%	0.631	42%	0.416	S	S	*	.	H	α-helix	trans	-99.2	-11	179.9	-78.1	-172.5	-8.9	0	0	114.7	V1588 P1589 R1594	V1588-Q1592 HydrophobicContact CG1-CG 3.85Å; V1588-Q1592 WeakPolarHBondContact O-CB 3.32Å; V1588-Q1592 VanDerWaalsContact O-CG 3.29Å; V1588-Q1592 WeakPolarHBondContact O-CG 3.47Å; V1588-Q1592 PolarHBondContact O-N 3.49Å; P1589-Q1592 PolarHBondContact O-N 2.73Å; P1589-Q1592 VanDerWaalsContact O-N 3.16Å; Q1592-R1594 PolarHBondContact O-N 3.46Å; Q1592-R1594 VanDerWaalsContact O-N 3.09Å
1593	T	49.9	Very low	58	Low	69 Å²	69	81 Å²	81	42%	0.423	39%	0.39	S	S	.	.	S	Bend	trans	-50.8	121.9	166.8	45	0	0	0	0	108.9	P1589 L1590 H1595 N1596	P1589-T1593 PolarHBondContact O-N 3.46Å; L1590-T1593 PolarHBondContact O-OG1 3.07Å; T1593-H1595 PolarHBondContact O-N 2.77Å; T1593-N1596 PolarHBondContact O-N 2.83Å; T1593-N1596 PolarHBondContact OG1-ND2 2.96Å
1594	R	39.3	Very low	57.2	Low	216 Å²	216	73.3 Å²	73.3	82%	0.815	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-13.4	-147.7	-79.6	-179	170.5	171.8	-4.5	117.9	Q1592	Q1592-R1594 PolarHBondContact O-N 3.46Å; Q1592-R1594 VanDerWaalsContact O-N 3.09Å
1595	H	46.8	Very low	56.3	Low	119 Å²	119	74.7 Å²	74.7	55%	0.551	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-18.1	-176.6	-53.7	103.5	0	0	0	114.6	Y1490 T1593 V1599	Y1490-H1595 HydrophobicContact CE1-CB 4.31Å; Y1490-H1595 HydrophobicContact CE2-CB 4.11Å; Y1490-H1595 WeakPolarHBondContact OH-CB 3.18Å; Y1490-H1595 PolarHBondContact OH-O 3.33Å; T1593-H1595 PolarHBondContact O-N 2.77Å; H1595-V1599 VanDerWaalsContact O-CB 3.28Å; H1595-V1599 WeakPolarHBondContact O-CB 3.32Å; H1595-V1599 WeakPolarHBondContact O-CG2 3.46Å
1596	N	49.1	Very low	55.5	Low	22 Å²	22	72.5 Å²	72.5	12%	0.118	35%	0.35	C	S	.	.	H	α-helix	trans	-67.6	-52.1	-167.7	-74.1	0.8	0	0	0	114.5	Y1490 L1491 L1590 T1593	Y1490-N1596 VanDerWaalsContact CE2-OD1 3.29Å; Y1490-N1596 WeakPolarHBondContact CE2-OD1 3.4Å; L1491-N1596 HydrophobicContact CD2-CB 4.16Å; L1491-N1596 VanDerWaalsContact CD2-CG 3.49Å; L1491-N1596 VanDerWaalsContact CD2-OD1 3.31Å; L1491-N1596 WeakPolarHBondContact CD2-OD1 3.3Å; L1590-N1596 PolarHBondContact O-ND2 3.11Å; T1593-N1596 PolarHBondContact O-N 2.83Å; T1593-N1596 PolarHBondContact OG1-ND2 2.96Å
1597	K	46.7	Very low	54.7	Low	137 Å²	137	69.1 Å²	69.1	60%	0.596	33%	0.331	S	S	*	.	H	α-helix	trans	-73.2	-36.3	-159.8	-172.4	171.7	-178.2	174.2	0	115.7
1598	F	45.5	Very low	54	Low	173 Å²	173	74.9 Å²	74.9	76%	0.759	35%	0.353	S	S	*	.	H	α-helix	trans	-95.2	-42.2	-178.4	-74.7	-81.6	0	0	0	111.9	L1600 I1601 E1602	F1598-L1600 PolarHBondContact O-N 3.27Å; F1598-I1601 PolarHBondContact O-N 2.97Å; F1598-E1602 PolarHBondContact O-N 2.96Å; F1598-E1602 VanDerWaalsContact O-N 3.07Å
1599	V	50	Low	53.4	Low	50 Å²	50	76.8 Å²	76.8	30%	0.303	36%	0.361	S	S	.	.	H	α-helix	trans	-68.9	-36.6	-170.1	-159.3	0	0	0	0	110	Y1488 H1595 G1603	Y1488-V1599 VanDerWaalsContact CE1-C 3.4Å; Y1488-V1599 HydrophobicContact CE1-CB 4.02Å; Y1488-V1599 HydrophobicContact CE1-CG1 3.64Å; Y1488-V1599 WeakPolarHBondContact CE1-O 3.38Å; Y1488-V1599 VanDerWaalsContact CZ-O 3.28Å; Y1488-V1599 PolarHBondContact OH-O 3.22Å; H1595-V1599 VanDerWaalsContact O-CB 3.28Å; H1595-V1599 WeakPolarHBondContact O-CB 3.32Å; H1595-V1599 WeakPolarHBondContact O-CG2 3.46Å; V1599-G1603 PolarHBondContact O-N 3Å
1600	L	51.9	Low	53.2	Low	26 Å²	26	73.8 Å²	73.8	14%	0.136	34%	0.341	C	S	.	.	H	α-helix	trans	-59.3	-48.9	172.4	-91.9	174.1	0	0	0	113.3	Y1488 L1491 L1509 I1512 F1598 E1602 G1603 L1604	Y1488-L1600 HydrophobicContact CD1-CD2 4.1Å; Y1488-L1600 HydrophobicContact CD1-CG 4.43Å; L1491-L1600 HydrophobicContact CD1-CD1 4Å; L1491-L1600 HydrophobicContact CD1-CD2 3.99Å; L1491-L1600 HydrophobicContact CD1-CG 3.65Å; L1491-L1600 HydrophobicContact CD2-CD1 3.79Å; L1491-L1600 HydrophobicContact CD2-CG 4.4Å; L1509-L1600 HydrophobicContact CD2-CD1 4.21Å; L1509-L1600 HydrophobicContact CD2-CD2 4.37Å; I1512-L1600 HydrophobicContact CD1-CD2 4.09Å; F1598-L1600 PolarHBondContact O-N 3.27Å; L1600-E1602 VanDerWaalsContact C-N 3.3Å; L1600-E1602 PolarHBondContact O-N 3.29Å; L1600-G1603 PolarHBondContact O-N 3.47Å; L1600-L1604 WeakPolarHBondContact O-CG 3.39Å; L1600-L1604 PolarHBondContact O-N 2.97Å
1601	I	55.7	Low	53.2	Low	51 Å²	51	73.3 Å²	73.3	26%	0.262	34%	0.335	S	S	.	.	H	α-helix	trans	-66.7	-37	-175.5	-67.4	178.2	0	0	0	110.5	L1570 R1574 F1598 K1605	L1570-I1601 HydrophobicContact CD2-CG2 4.04Å; R1574-I1601 HydrophobicContact CG-CD1 4.4Å; F1598-I1601 PolarHBondContact O-N 2.97Å; I1601-K1605 WeakPolarHBondContact O-CB 3.33Å; I1601-K1605 PolarHBondContact O-N 2.87Å
1602	E	52.2	Low	53.2	Low	74 Å²	74	77.3 Å²	77.3	35%	0.346	35%	0.351	S	S	.	.	H	α-helix	trans	-74.4	-33.3	175.3	-166.3	53.6	-140.5	0	0	112	F1598 L1600 K1605 Q1606	F1598-E1602 PolarHBondContact O-N 2.96Å; F1598-E1602 VanDerWaalsContact O-N 3.07Å; L1600-E1602 VanDerWaalsContact C-N 3.3Å; L1600-E1602 PolarHBondContact O-N 3.29Å; E1602-K1605 CarbonylContact O-C 3.58Å; E1602-K1605 WeakPolarHBondContact O-CB 3.37Å; E1602-K1605 PolarHBondContact O-N 3.34Å; E1602-K1605 IonicContact OE1-NZ 3.53Å; E1602-K1605 PolarHBondContact OE1-NZ 2.87Å; E1602-K1605 IonicContact OE2-NZ 3.42Å; E1602-K1605 PolarHBondContact OE2-NZ 3.1Å; E1602-Q1606 PolarHBondContact O-N 3.19Å
1603	G	53.9	Low	53.7	Low	1 Å²	1	74 Å²	74	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-64.5	-46.4	173.2	0	0	0	0	0	113.3	Y1488 V1599 L1600 K1605 Q1606 M1607	Y1488-G1603 WeakPolarHBondContact OH-CA 3.38Å; Y1488-G1603 PolarHBondContact OH-N 3.29Å; V1599-G1603 PolarHBondContact O-N 3Å; L1600-G1603 PolarHBondContact O-N 3.47Å; G1603-K1605 PolarHBondContact O-N 2.97Å; G1603-Q1606 PolarHBondContact O-N 2.68Å; G1603-Q1606 VanDerWaalsContact O-N 3.15Å; G1603-M1607 PolarHBondContact O-N 3.36Å
1604	L	56.9	Low	54.8	Low	20 Å²	20	70.9 Å²	70.9	11%	0.105	32%	0.318	C	S	.	.	H	α-helix	trans	-64	-29	173.3	-66.2	176.7	0	0	0	112	L1564 L1600 M1607 R1608	L1564-L1604 HydrophobicContact CB-CD2 4.45Å; L1564-L1604 HydrophobicContact CD1-CD2 4.31Å; L1564-L1604 HydrophobicContact CD2-CD2 3.94Å; L1564-L1604 HydrophobicContact CG-CD2 4.47Å; L1600-L1604 WeakPolarHBondContact O-CG 3.39Å; L1600-L1604 PolarHBondContact O-N 2.97Å; L1604-M1607 HydrophobicContact CD2-CE 4.24Å; L1604-M1607 HydrophobicContact CD2-SD 3.76Å; L1604-R1608 WeakPolarHBondContact O-CB 3.5Å; L1604-R1608 PolarHBondContact O-N 3.03Å; L1604-R1608 VanDerWaalsContact O-N 3.08Å
1605	K	57.4	Low	56.4	Low	94 Å²	94	61.9 Å²	61.9	41%	0.409	29%	0.288	S	S	.	.	H	α-helix	trans	-72.1	-39.7	171.5	169.1	163.1	160	-88.3	0	112.1	I1601 E1602 G1603 R1608 I1609	I1601-K1605 WeakPolarHBondContact O-CB 3.33Å; I1601-K1605 PolarHBondContact O-N 2.87Å; E1602-K1605 CarbonylContact O-C 3.58Å; E1602-K1605 WeakPolarHBondContact O-CB 3.37Å; E1602-K1605 PolarHBondContact O-N 3.34Å; E1602-K1605 IonicContact OE1-NZ 3.53Å; E1602-K1605 PolarHBondContact OE1-NZ 2.87Å; E1602-K1605 IonicContact OE2-NZ 3.42Å; E1602-K1605 PolarHBondContact OE2-NZ 3.1Å; G1603-K1605 PolarHBondContact O-N 2.97Å; K1605-R1608 PolarHBondContact O-N 3.38Å; K1605-I1609 HydrophobicContact CG-CD1 4.19Å; K1605-I1609 VanDerWaalsContact O-CG1 3.29Å; K1605-I1609 WeakPolarHBondContact O-CG1 3.23Å; K1605-I1609 PolarHBondContact O-N 3.34Å
1606	Q	58.1	Low	57.6	Low	44 Å²	44	60.6 Å²	60.6	21%	0.206	29%	0.285	C	S	.	.	H	α-helix	trans	-70.5	-39.5	173.6	-70.5	-169.9	45.9	0	0	112.7	Y1480 M1481 H1484 E1602 G1603 R1608 I1609 L1610	Y1480-Q1606 PolarHBondContact OH-OE1 3.43Å; M1481-Q1606 HydrophobicContact CE-CB 4.18Å; H1484-Q1606 PolarHBondContact CD2-OE1 3.28Å; H1484-Q1606 VanDerWaalsContact NE2-CD 3.28Å; H1484-Q1606 PolarHBondContact NE2-NE2 3.42Å; H1484-Q1606 PolarHBondContact NE2-OE1 3.27Å; E1602-Q1606 PolarHBondContact O-N 3.19Å; G1603-Q1606 PolarHBondContact O-N 2.68Å; G1603-Q1606 VanDerWaalsContact O-N 3.15Å; Q1606-R1608 VanDerWaalsContact C-N 3.3Å; Q1606-R1608 PolarHBondContact O-N 3.44Å; Q1606-I1609 PolarHBondContact O-N 3.27Å; Q1606-I1609 VanDerWaalsContact O-N 3.17Å; Q1606-L1610 PolarHBondContact O-N 2.73Å
1607	M	55.1	Low	58.9	Low	10 Å²	10	60.5 Å²	60.5	5%	0.049	28%	0.284	C	S	.	.	H	α-helix	trans	-52	-49.9	167.2	-77.6	-171.5	-179.1	0	0	110.9	L1485 I1512 L1515 L1564 G1603 L1604 I1609 L1610 Y1611	L1485-M1607 HydrophobicContact CD1-CE 3.92Å; L1485-M1607 HydrophobicContact CD2-CE 3.34Å; L1485-M1607 HydrophobicContact CD2-CG 3.85Å; L1485-M1607 HydrophobicContact CD2-SD 4.42Å; L1485-M1607 HydrophobicContact CG-CE 4.28Å; I1512-M1607 HydrophobicContact CG2-CE 4.36Å; L1515-M1607 HydrophobicContact CD2-CE 3.59Å; L1515-M1607 HydrophobicContact CD2-CG 4.42Å; L1515-M1607 HydrophobicContact CD2-SD 3.5Å; L1515-M1607 WeakPolarHBondContact CD2-SD 3.12Å; L1564-M1607 HydrophobicContact CD1-CE 4.33Å; L1564-M1607 HydrophobicContact CD1-SD 3.91Å; G1603-M1607 PolarHBondContact O-N 3.36Å; L1604-M1607 HydrophobicContact CD2-CE 4.24Å; L1604-M1607 HydrophobicContact CD2-SD 3.76Å; M1607-I1609 VanDerWaalsContact C-N 3.33Å; M1607-I1609 PolarHBondContact O-N 3.32Å; M1607-L1610 PolarHBondContact O-N 2.87Å; M1607-Y1611 WeakPolarHBondContact O-CB 3.48Å; M1607-Y1611 PolarHBondContact O-N 2.68Å
1608	R	57.9	Low	60.5	Low	120 Å²	120	54 Å²	54	45%	0.453	26%	0.256	S	S	.	.	H	α-helix	trans	-61.1	-41.8	179.2	-177.3	178.8	176.2	171.3	2.3	111.6	L1604 K1605 Q1606 Y1611 F1612	L1604-R1608 WeakPolarHBondContact O-CB 3.5Å; L1604-R1608 PolarHBondContact O-N 3.03Å; L1604-R1608 VanDerWaalsContact O-N 3.08Å; K1605-R1608 PolarHBondContact O-N 3.38Å; Q1606-R1608 VanDerWaalsContact C-N 3.3Å; Q1606-R1608 PolarHBondContact O-N 3.44Å; R1608-Y1611 PolarHBondContact O-N 3.08Å; R1608-F1612 HydrophobicContact CG-CD2 3.9Å; R1608-F1612 HydrophobicContact CG-CE2 3.86Å; R1608-F1612 VanDerWaalsContact O-CD2 3.3Å; R1608-F1612 WeakPolarHBondContact O-CD2 3.23Å; R1608-F1612 PolarHBondContact O-N 3.44Å
1609	I	56.6	Low	62.3	Low	79 Å²	79	47.3 Å²	47.3	41%	0.405	23%	0.228	S	C	.	.	H	α-helix	trans	-61.3	-44.4	177.1	-71.2	162.9	0	0	0	110.7	K1605 Q1606 M1607 N1613	K1605-I1609 HydrophobicContact CG-CD1 4.19Å; K1605-I1609 VanDerWaalsContact O-CG1 3.29Å; K1605-I1609 WeakPolarHBondContact O-CG1 3.23Å; K1605-I1609 PolarHBondContact O-N 3.34Å; Q1606-I1609 PolarHBondContact O-N 3.27Å; Q1606-I1609 VanDerWaalsContact O-N 3.17Å; M1607-I1609 VanDerWaalsContact C-N 3.33Å; M1607-I1609 PolarHBondContact O-N 3.32Å; I1609-N1613 WeakPolarHBondContact CG2-ND2 3.39Å; I1609-N1613 VanDerWaalsContact O-CB 3.23Å; I1609-N1613 WeakPolarHBondContact O-CB 3.29Å; I1609-N1613 PolarHBondContact O-N 2.97Å; I1609-N1613 PolarHBondContact O-ND2 2.78Å
1610	L	56.4	Low	63.9	Low	21 Å²	21	49.3 Å²	49.3	11%	0.11	24%	0.237	C	C	.	.	H	α-helix	trans	-73.2	-31.9	176.4	-84.2	103.3	0	0	0	114.2	K1477 M1481 Q1606 M1607 F1612 N1613 L1614	K1477-L1610 HydrophobicContact CB-CD2 3.92Å; M1481-L1610 HydrophobicContact CE-CD1 3.86Å; M1481-L1610 HydrophobicContact CG-CB 4.22Å; M1481-L1610 HydrophobicContact CG-CD1 3.98Å; M1481-L1610 HydrophobicContact CG-CD2 3.71Å; M1481-L1610 HydrophobicContact CG-CG 4.16Å; M1481-L1610 HydrophobicContact SD-CB 4.22Å; M1481-L1610 HydrophobicContact SD-CD1 3.88Å; M1481-L1610 HydrophobicContact SD-CG 4.43Å; Q1606-L1610 PolarHBondContact O-N 2.73Å; M1607-L1610 PolarHBondContact O-N 2.87Å; L1610-F1612 VanDerWaalsContact C-N 3.33Å; L1610-F1612 PolarHBondContact O-N 3.39Å; L1610-N1613 PolarHBondContact O-N 2.88Å; L1610-L1614 HydrophobicContact CB-CD1 4.01Å; L1610-L1614 HydrophobicContact CD2-CD1 3.88Å; L1610-L1614 HydrophobicContact CG-CD1 4.41Å; L1610-L1614 VanDerWaalsContact O-CD1 3.25Å; L1610-L1614 WeakPolarHBondContact O-CD1 3.45Å; L1610-L1614 PolarHBondContact O-N 3.34Å
1611	Y	62	Low	65.4	Low	48 Å²	48	48.2 Å²	48.2	19%	0.188	23%	0.231	C	C	.	.	H	α-helix	trans	-55.6	-46.7	171.2	177.6	-86.9	0	0	0	111.8	C1561 M1607 R1608 P1615 L1649	C1561-Y1611 HydrophobicContact CB-CD2 3.5Å; C1561-Y1611 HydrophobicContact CB-CE2 3.65Å; C1561-Y1611 HydrophobicContact CB-CG 4.42Å; M1607-Y1611 WeakPolarHBondContact O-CB 3.48Å; M1607-Y1611 PolarHBondContact O-N 2.68Å; R1608-Y1611 PolarHBondContact O-N 3.08Å; Y1611-P1615 WeakPolarHBondContact O-CD 3.46Å; Y1611-L1649 HydrophobicContact CE2-CD2 3.62Å
1612	F	60.9	Low	66.8	Low	114 Å²	114	45.9 Å²	45.9	50%	0.5	22%	0.22	S	C	.	.	H	α-helix	trans	-77.8	-23.1	177.2	-74	-72.7	0	0	0	113.6	R1608 L1610	R1608-F1612 HydrophobicContact CG-CD2 3.9Å; R1608-F1612 HydrophobicContact CG-CE2 3.86Å; R1608-F1612 VanDerWaalsContact O-CD2 3.3Å; R1608-F1612 WeakPolarHBondContact O-CD2 3.23Å; R1608-F1612 PolarHBondContact O-N 3.44Å; L1610-F1612 VanDerWaalsContact C-N 3.33Å; L1610-F1612 PolarHBondContact O-N 3.39Å
1613	N	66.3	Low	68.4	Low	65 Å²	65	48.1 Å²	48.1	35%	0.348	23%	0.228	S	C	.	.	H	α-helix	trans	-90.3	-24.4	-179.1	-70.7	-8.3	0	0	0	114.6	I1609 L1610 L1616 I1617	I1609-N1613 WeakPolarHBondContact CG2-ND2 3.39Å; I1609-N1613 VanDerWaalsContact O-CB 3.23Å; I1609-N1613 WeakPolarHBondContact O-CB 3.29Å; I1609-N1613 PolarHBondContact O-N 2.97Å; I1609-N1613 PolarHBondContact O-ND2 2.78Å; L1610-N1613 PolarHBondContact O-N 2.88Å; N1613-L1616 CarbonylContact O-C 3.58Å; N1613-L1616 WeakPolarHBondContact O-CA 3.35Å; N1613-L1616 WeakPolarHBondContact O-CB 3.37Å; N1613-L1616 PolarHBondContact O-N 2.99Å; N1613-I1617 HydrophobicContact CB-CD1 4.28Å; N1613-I1617 VanDerWaalsContact O-CG1 3.32Å; N1613-I1617 WeakPolarHBondContact O-CG1 3.41Å; N1613-I1617 PolarHBondContact O-N 3Å
1614	L	73	Confident	69.7	Low	4 Å²	4	50.1 Å²	50.1	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-57.9	-43.5	-179.9	-106.6	75.7	0	0	0	113.5	F1474 W1557 L1610 L1616 I1617 A1618 L1646	F1474-L1614 HydrophobicContact CE2-CD2 4.36Å; F1474-L1614 HydrophobicContact CE2-CG 4.28Å; F1474-L1614 HydrophobicContact CZ-CD2 4.27Å; W1557-L1614 HydrophobicContact CH2-CD2 3.65Å; W1557-L1614 HydrophobicContact CZ2-CD2 4.07Å; L1610-L1614 HydrophobicContact CB-CD1 4.01Å; L1610-L1614 HydrophobicContact CD2-CD1 3.88Å; L1610-L1614 HydrophobicContact CG-CD1 4.41Å; L1610-L1614 VanDerWaalsContact O-CD1 3.25Å; L1610-L1614 WeakPolarHBondContact O-CD1 3.45Å; L1610-L1614 PolarHBondContact O-N 3.34Å; L1614-L1616 VanDerWaalsContact C-N 3.27Å; L1614-L1616 PolarHBondContact O-N 2.94Å; L1614-I1617 PolarHBondContact O-N 3.5Å; L1614-A1618 PolarHBondContact O-N 3.2Å; L1614-L1646 HydrophobicContact CB-CD1 4.45Å
1615	P	71.5	Confident	71	Confident	27 Å²	27	49.1 Å²	49.1	18%	0.175	23%	0.234	C	C	.	.	H	α-helix	trans	-60.7	-35	171.6	-20	29.7	0	0	0	112.9	Y1611 N1619 L1646	Y1611-P1615 WeakPolarHBondContact O-CD 3.46Å; P1615-N1619 VanDerWaalsContact O-CB 3.28Å; P1615-N1619 WeakPolarHBondContact O-CB 2.74Å; P1615-N1619 PolarHBondContact O-N 3.48Å; P1615-L1646 HydrophobicContact CB-CB 4.33Å; P1615-L1646 HydrophobicContact CG-CB 4.07Å
1616	L	71.9	Confident	72.2	Confident	93 Å²	93	48.7 Å²	48.7	49%	0.487	23%	0.233	S	C	.	.	H	α-helix	trans	-73	-36.3	178.5	-60.5	176.6	0	0	0	112.2	N1613 L1614 N1619 N1620	N1613-L1616 CarbonylContact O-C 3.58Å; N1613-L1616 WeakPolarHBondContact O-CA 3.35Å; N1613-L1616 WeakPolarHBondContact O-CB 3.37Å; N1613-L1616 PolarHBondContact O-N 2.99Å; L1614-L1616 VanDerWaalsContact C-N 3.27Å; L1614-L1616 PolarHBondContact O-N 2.94Å; L1616-N1619 PolarHBondContact O-N 3.42Å; L1616-N1620 WeakPolarHBondContact O-CB 3.37Å; L1616-N1620 PolarHBondContact O-N 3.13Å; L1616-N1620 PolarHBondContact O-ND2 2.99Å; L1616-N1620 PolarHBondContact O-OD1 3.47Å
1617	I	76.4	Confident	73.3	Confident	19 Å²	19	53.5 Å²	53.5	10%	0.097	25%	0.253	C	S	.	.	H	α-helix	trans	-66.7	-46.8	175.1	-64.7	159.5	0	0	0	109.6	F1474 K1477 N1613 L1614 N1619 N1620 I1621	F1474-I1617 HydrophobicContact CD2-CG2 3.97Å; K1477-I1617 HydrophobicContact CG-CD1 3.98Å; N1613-I1617 HydrophobicContact CB-CD1 4.28Å; N1613-I1617 VanDerWaalsContact O-CG1 3.32Å; N1613-I1617 WeakPolarHBondContact O-CG1 3.41Å; N1613-I1617 PolarHBondContact O-N 3Å; L1614-I1617 PolarHBondContact O-N 3.5Å; I1617-N1619 VanDerWaalsContact C-N 3.31Å; I1617-N1619 PolarHBondContact O-N 2.9Å; I1617-N1620 PolarHBondContact O-N 2.75Å; I1617-I1621 HydrophobicContact CG2-CD1 3.77Å; I1617-I1621 HydrophobicContact CG2-CG1 4.42Å; I1617-I1621 WeakPolarHBondContact O-CB 3.36Å; I1617-I1621 VanDerWaalsContact O-CG1 3.31Å; I1617-I1621 WeakPolarHBondContact O-CG1 3.34Å; I1617-I1621 PolarHBondContact O-N 2.66Å
1618	A	81.5	Confident	74.1	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.4	-40.9	174.7	0	0	0	0	0	112.6	L1614 I1621 A1622 W1639 I1642 Q1643 L1646	L1614-A1618 PolarHBondContact O-N 3.2Å; A1618-I1621 PolarHBondContact O-N 2.83Å; A1618-A1622 WeakPolarHBondContact O-CB 3.49Å; A1618-A1622 PolarHBondContact O-N 2.88Å; A1618-W1639 HydrophobicContact CB-CE3 3.94Å; A1618-W1639 HydrophobicContact CB-CZ3 4.27Å; A1618-I1642 HydrophobicContact CB-CG2 4.25Å; A1618-Q1643 HydrophobicContact CB-CB 4.06Å; A1618-L1646 HydrophobicContact CB-CD1 4.23Å
1619	N	82.3	Confident	74.9	Confident	33 Å²	33	53.7 Å²	53.7	18%	0.176	25%	0.254	C	S	.	.	H	α-helix	trans	-63.5	-43.2	175.2	-167.8	-28.8	0	0	0	112.3	P1615 L1616 I1617 K1623 Q1643	P1615-N1619 VanDerWaalsContact O-CB 3.28Å; P1615-N1619 WeakPolarHBondContact O-CB 2.74Å; P1615-N1619 PolarHBondContact O-N 3.48Å; L1616-N1619 PolarHBondContact O-N 3.42Å; I1617-N1619 VanDerWaalsContact C-N 3.31Å; I1617-N1619 PolarHBondContact O-N 2.9Å; N1619-K1623 WeakPolarHBondContact O-CB 3.34Å; N1619-K1623 WeakPolarHBondContact O-CG 3.49Å; N1619-K1623 PolarHBondContact O-N 3.3Å; N1619-K1623 WeakPolarHBondContact OD1-CD 3.49Å; N1619-K1623 WeakPolarHBondContact OD1-CE 3.47Å; N1619-K1623 PolarHBondContact OD1-NZ 3.4Å; N1619-Q1643 VanDerWaalsContact CA-OE1 3.29Å; N1619-Q1643 HydrophobicContact CB-CG 4.07Å; N1619-Q1643 VanDerWaalsContact CB-OE1 3.23Å; N1619-Q1643 PolarHBondContact ND2-NE2 2.96Å
1620	N	83.9	Confident	75.8	Confident	92 Å²	92	58.9 Å²	58.9	49%	0.492	27%	0.273	S	S	.	.	H	α-helix	trans	-66.4	-41.6	176.2	-70.2	-14.7	0	0	0	111.8	L1616 I1617 K1623 D1624	L1616-N1620 WeakPolarHBondContact O-CB 3.37Å; L1616-N1620 PolarHBondContact O-N 3.13Å; L1616-N1620 PolarHBondContact O-ND2 2.99Å; L1616-N1620 PolarHBondContact O-OD1 3.47Å; I1617-N1620 PolarHBondContact O-N 2.75Å; N1620-K1623 PolarHBondContact O-N 3.39Å; N1620-D1624 WeakPolarHBondContact O-CB 3.37Å; N1620-D1624 PolarHBondContact O-N 3.4Å
1621	I	84.7	Confident	76.7	Confident	4 Å²	4	63 Å²	63	2%	0.021	29%	0.293	C	S	.	.	H	α-helix	trans	-60.7	-49.2	175.7	-72.8	168.8	0	0	0	110.8	V1470 L1471 F1474 I1617 A1618 K1623 D1624 L1625 W1639	V1470-I1621 HydrophobicContact CG1-CB 3.97Å; V1470-I1621 HydrophobicContact CG1-CG1 3.74Å; V1470-I1621 HydrophobicContact CG1-CG2 3.84Å; L1471-I1621 HydrophobicContact CD2-CG2 4.39Å; F1474-I1621 HydrophobicContact CB-CD1 3.72Å; F1474-I1621 HydrophobicContact CD2-CD1 4.18Å; F1474-I1621 HydrophobicContact CG-CD1 4.37Å; I1617-I1621 HydrophobicContact CG2-CD1 3.77Å; I1617-I1621 HydrophobicContact CG2-CG1 4.42Å; I1617-I1621 WeakPolarHBondContact O-CB 3.36Å; I1617-I1621 VanDerWaalsContact O-CG1 3.31Å; I1617-I1621 WeakPolarHBondContact O-CG1 3.34Å; I1617-I1621 PolarHBondContact O-N 2.66Å; A1618-I1621 PolarHBondContact O-N 2.83Å; I1621-K1623 VanDerWaalsContact C-N 3.3Å; I1621-K1623 PolarHBondContact O-N 3.33Å; I1621-D1624 PolarHBondContact O-N 3.42Å; I1621-L1625 HydrophobicContact CG2-CD1 3.84Å; I1621-L1625 HydrophobicContact CG2-CG 4.38Å; I1621-L1625 WeakPolarHBondContact O-CB 3.23Å; I1621-L1625 WeakPolarHBondContact O-CG 3.39Å; I1621-L1625 PolarHBondContact O-N 3.39Å; I1621-W1639 HydrophobicContact CB-CD2 4.43Å; I1621-W1639 HydrophobicContact CD1-CH2 4.38Å; I1621-W1639 HydrophobicContact CD1-CZ3 4.32Å; I1621-W1639 HydrophobicContact CG2-CB 4.31Å; I1621-W1639 HydrophobicContact CG2-CD2 3.6Å; I1621-W1639 HydrophobicContact CG2-CE3 4.18Å; I1621-W1639 HydrophobicContact CG2-CG 3.62Å; I1621-W1639 HydrophobicContact CG2-CZ2 4.47Å
1622	A	84.4	Confident	77.6	Confident	2 Å²	2	62.2 Å²	62.2	2%	0.017	29%	0.29	C	S	.	.	H	α-helix	trans	-56.7	-43.5	175.7	0	0	0	0	0	112.2	A1618 E1626 W1639 Q1640	A1618-A1622 WeakPolarHBondContact O-CB 3.49Å; A1618-A1622 PolarHBondContact O-N 2.88Å; A1622-E1626 VanDerWaalsContact O-CB 3.3Å; A1622-E1626 WeakPolarHBondContact O-CB 3.43Å; A1622-E1626 PolarHBondContact O-N 2.84Å; A1622-W1639 HydrophobicContact CB-CB 3.96Å; A1622-Q1640 HydrophobicContact CB-CG 3.81Å
1623	K	84.7	Confident	78.6	Confident	120 Å²	120	61.8 Å²	61.8	52%	0.522	29%	0.288	S	S	.	.	H	α-helix	trans	-68.3	-40.3	178.3	-78.5	168.2	174.3	157.1	0	113.6	N1619 N1620 I1621 K1627	N1619-K1623 WeakPolarHBondContact O-CB 3.34Å; N1619-K1623 WeakPolarHBondContact O-CG 3.49Å; N1619-K1623 PolarHBondContact O-N 3.3Å; N1619-K1623 WeakPolarHBondContact OD1-CD 3.49Å; N1619-K1623 WeakPolarHBondContact OD1-CE 3.47Å; N1619-K1623 PolarHBondContact OD1-NZ 3.4Å; N1620-K1623 PolarHBondContact O-N 3.39Å; I1621-K1623 VanDerWaalsContact C-N 3.3Å; I1621-K1623 PolarHBondContact O-N 3.33Å; K1623-K1627 WeakPolarHBondContact O-CB 3.16Å; K1623-K1627 PolarHBondContact O-N 3.18Å
1624	D	82.2	Confident	79.3	Confident	43 Å²	43	62.1 Å²	62.1	23%	0.23	30%	0.3	C	S	.	.	H	α-helix	trans	-76.4	-34	179.9	-91.8	-31	0	0	0	112.1	V1470 N1620 I1621 R1628	V1470-D1624 HydrophobicContact CG1-CB 4.4Å; V1470-D1624 HydrophobicContact CG2-CB 4.19Å; N1620-D1624 WeakPolarHBondContact O-CB 3.37Å; N1620-D1624 PolarHBondContact O-N 3.4Å; I1621-D1624 PolarHBondContact O-N 3.42Å; D1624-R1628 VanDerWaalsContact CG-NE 3.26Å; D1624-R1628 WeakPolarHBondContact O-CB 3.17Å; D1624-R1628 VanDerWaalsContact O-CG 3.28Å; D1624-R1628 WeakPolarHBondContact O-CG 3.46Å; D1624-R1628 PolarHBondContact O-N 3.18Å; D1624-R1628 IonicContact OD1-CZ 3.69Å; D1624-R1628 VanDerWaalsContact OD1-CZ 3.25Å; D1624-R1628 IonicContact OD1-NE 3.59Å; D1624-R1628 PolarHBondContact OD1-NE 2.98Å; D1624-R1628 IonicContact OD1-NH2 3.63Å; D1624-R1628 PolarHBondContact OD1-NH2 3.48Å; D1624-R1628 IonicContact OD2-CZ 2.66Å; D1624-R1628 IonicContact OD2-NE 3.73Å; D1624-R1628 IonicContact OD2-NH2 2.69Å; D1624-R1628 PolarHBondContact OD2-NH2 3.33Å
1625	L	84.4	Confident	79.9	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.6	-52.3	166.9	-70.2	172.5	0	0	0	110.4	R1467 V1470 I1621 K1627 T1629 E1635 A1636	R1467-L1625 HydrophobicContact CB-CD2 4.15Å; R1467-L1625 HydrophobicContact CG-CD2 3.99Å; V1470-L1625 HydrophobicContact CG1-CG 4.32Å; I1621-L1625 HydrophobicContact CG2-CD1 3.84Å; I1621-L1625 HydrophobicContact CG2-CG 4.38Å; I1621-L1625 WeakPolarHBondContact O-CB 3.23Å; I1621-L1625 WeakPolarHBondContact O-CG 3.39Å; I1621-L1625 PolarHBondContact O-N 3.39Å; L1625-K1627 PolarHBondContact O-N 3.41Å; L1625-T1629 PolarHBondContact O-N 2.72Å; L1625-T1629 PolarHBondContact O-OG1 2.95Å; L1625-E1635 HydrophobicContact CD1-CG 4.44Å; L1625-A1636 HydrophobicContact CB-CB 3.97Å
1626	E	82.6	Confident	80.6	Confident	84 Å²	84	61.3 Å²	61.3	39%	0.393	29%	0.294	S	S	.	.	H	α-helix	trans	-66.7	-31	-178.9	-178.1	165.3	-146.6	0	0	114	A1622 K1633 A1636	A1622-E1626 VanDerWaalsContact O-CB 3.3Å; A1622-E1626 WeakPolarHBondContact O-CB 3.43Å; A1622-E1626 PolarHBondContact O-N 2.84Å; E1626-K1633 VanDerWaalsContact OE1-CE 3.25Å; E1626-K1633 WeakPolarHBondContact OE1-CE 3.43Å; E1626-K1633 IonicContact OE1-NZ 3.74Å; E1626-K1633 PolarHBondContact OE1-NZ 2.76Å; E1626-A1636 HydrophobicContact CB-CB 4.28Å
1627	K	80.3	Confident	81.3	Confident	145 Å²	145	63.1 Å²	63.1	63%	0.63	30%	0.297	S	S	*	.	H	α-helix	trans	-82.3	-39.1	177.9	-176.3	-179	177.6	-98.2	0	113.1	E1433 K1623 L1625	E1433-K1627 IonicContact OE2-NZ 2.68Å; K1623-K1627 WeakPolarHBondContact O-CB 3.16Å; K1623-K1627 PolarHBondContact O-N 3.18Å; L1625-K1627 PolarHBondContact O-N 3.41Å
1628	R	72.8	Confident	81.8	Confident	132 Å²	132	63.6 Å²	63.6	50%	0.498	30%	0.3	S	S	.	.	H	α-helix	trans	-104.8	-12.6	-167.9	-51.3	-174.3	-162.9	-166	15.8	114.4	I1466 D1624	I1466-R1628 HydrophobicContact CG2-CB 3.94Å; D1624-R1628 VanDerWaalsContact CG-NE 3.26Å; D1624-R1628 WeakPolarHBondContact O-CB 3.17Å; D1624-R1628 VanDerWaalsContact O-CG 3.28Å; D1624-R1628 WeakPolarHBondContact O-CG 3.46Å; D1624-R1628 PolarHBondContact O-N 3.18Å; D1624-R1628 IonicContact OD1-CZ 3.69Å; D1624-R1628 VanDerWaalsContact OD1-CZ 3.25Å; D1624-R1628 IonicContact OD1-NE 3.59Å; D1624-R1628 PolarHBondContact OD1-NE 2.98Å; D1624-R1628 IonicContact OD1-NH2 3.63Å; D1624-R1628 PolarHBondContact OD1-NH2 3.48Å; D1624-R1628 IonicContact OD2-CZ 2.66Å; D1624-R1628 IonicContact OD2-NE 3.73Å; D1624-R1628 IonicContact OD2-NH2 2.69Å; D1624-R1628 PolarHBondContact OD2-NH2 3.33Å
1629	T	73.9	Confident	82.1	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.018	30%	0.3	C	S	.	.			trans	-134.9	129.8	180	66.3	0	0	0	0	111	E1463 I1466 L1625 Y1632	E1463-T1629 HydrophobicContact CB-CG2 3.76Å; E1463-T1629 HydrophobicContact CG-CG2 4.17Å; E1463-T1629 WeakPolarHBondContact O-CG2 3.3Å; E1463-T1629 WeakPolarHBondContact OE2-CA 3.44Å; E1463-T1629 WeakPolarHBondContact OE2-CB 3.2Å; I1466-T1629 HydrophobicContact CB-CG2 4.22Å; I1466-T1629 HydrophobicContact CG2-CG2 4.08Å; L1625-T1629 PolarHBondContact O-N 2.72Å; L1625-T1629 PolarHBondContact O-OG1 2.95Å; T1629-Y1632 HydrophobicContact CG2-CD2 4.14Å
1630	K	75.2	Confident	82.3	Confident	188 Å²	188	65.5 Å²	65.5	82%	0.817	31%	0.308	S	S	*	.	S	Bend	trans	-83.6	-31.4	176.4	-67.1	175.6	-177	170.9	0	111.7	E1463	E1463-K1630 PolarHBondContact OE1-N 3.47Å; E1463-K1630 PolarHBondContact OE2-N 2.93Å
1631	M	76.1	Confident	82.3	Confident	106 Å²	106	65.9 Å²	65.9	52%	0.522	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-38.8	-176.5	-64.4	-170.7	66.8	0	0	112.7	Q1460 E1463 K1633	Q1460-M1631 HydrophobicContact CG-SD 3.89Å; E1463-M1631 WeakPolarHBondContact OE2-CB 3.23Å; E1463-M1631 PolarHBondContact OE2-N 3.34Å; M1631-K1633 VanDerWaalsContact C-N 3.27Å; M1631-K1633 PolarHBondContact O-N 3.47Å
1632	Y	80.3	Confident	82.3	Confident	32 Å²	32	65.7 Å²	65.7	13%	0.125	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	22	-172.6	-55.2	-66.8	0	0	0	114.8	E1463 E1464 R1467 T1629 A1634 E1635 A1636	E1463-Y1632 HydrophobicContact CB-CD2 4.41Å; E1463-Y1632 HydrophobicContact CB-CE2 3.99Å; E1464-Y1632 HydrophobicContact CB-CE2 4.38Å; E1464-Y1632 WeakPolarHBondContact CB-OH 3.28Å; E1464-Y1632 WeakPolarHBondContact CG-OH 3.24Å; E1464-Y1632 PolarHBondContact OE1-OH 3.37Å; R1467-Y1632 HydrophobicContact CB-CD2 3.91Å; R1467-Y1632 HydrophobicContact CB-CE2 4.05Å; R1467-Y1632 HydrophobicContact CB-CG 4.47Å; R1467-Y1632 HydrophobicContact CG-CD1 4.48Å; R1467-Y1632 HydrophobicContact CG-CD2 4.11Å; R1467-Y1632 HydrophobicContact CG-CE2 4.4Å; R1467-Y1632 HydrophobicContact CG-CG 4.17Å; T1629-Y1632 HydrophobicContact CG2-CD2 4.14Å; Y1632-A1634 PolarHBondContact O-N 3.5Å; Y1632-E1635 PolarHBondContact O-N 3.13Å; Y1632-E1635 VanDerWaalsContact O-N 3.13Å; Y1632-A1636 PolarHBondContact O-N 3.3Å
1633	K	82.2	Confident	82.2	Confident	106 Å²	106	67.7 Å²	67.7	46%	0.461	32%	0.315	S	S	.	.	H	α-helix	trans	-65.2	-22.1	177.5	-174.3	156.7	176.5	143.8	0	113.6	E1626 M1631 K1637	E1626-K1633 VanDerWaalsContact OE1-CE 3.25Å; E1626-K1633 WeakPolarHBondContact OE1-CE 3.43Å; E1626-K1633 IonicContact OE1-NZ 3.74Å; E1626-K1633 PolarHBondContact OE1-NZ 2.76Å; M1631-K1633 VanDerWaalsContact C-N 3.27Å; M1631-K1633 PolarHBondContact O-N 3.47Å; K1633-K1637 PolarHBondContact O-N 2.87Å
1634	A	80.7	Confident	82	Confident	71 Å²	71	67.6 Å²	67.6	59%	0.587	32%	0.319	S	S	*	.	H	α-helix	trans	-67.4	-52	168.3	0	0	0	0	0	111.2	Y1632 A1636 K1637 I1638	Y1632-A1634 PolarHBondContact O-N 3.5Å; A1634-A1636 VanDerWaalsContact C-N 3.28Å; A1634-A1636 PolarHBondContact O-N 3.31Å; A1634-K1637 WeakPolarHBondContact O-CB 3.37Å; A1634-K1637 PolarHBondContact O-N 2.84Å; A1634-I1638 PolarHBondContact O-N 3.34Å
1635	E	86.1	Confident	81.7	Confident	14 Å²	14	69.7 Å²	69.7	7%	0.065	33%	0.326	C	S	.	.	H	α-helix	trans	-61.5	-34.8	178	-167.4	174.9	-126.2	0	0	112.3	R1467 A1539 L1625 Y1632 K1637 I1638 W1639	R1467-E1635 IonicContact CZ-OE1 3.41Å; R1467-E1635 IonicContact CZ-OE2 3.42Å; R1467-E1635 IonicContact NE-OE1 3.89Å; R1467-E1635 PolarHBondContact NE-OE1 3.05Å; R1467-E1635 IonicContact NE-OE2 3.86Å; R1467-E1635 PolarHBondContact NE-OE2 3.44Å; R1467-E1635 VanDerWaalsContact NH2-CD 3.34Å; R1467-E1635 IonicContact NH2-OE1 3.43Å; R1467-E1635 PolarHBondContact NH2-OE1 3.39Å; R1467-E1635 IonicContact NH2-OE2 2.69Å; R1467-E1635 PolarHBondContact NH2-OE2 2.9Å; A1539-E1635 HydrophobicContact CB-CG 3.61Å; L1625-E1635 HydrophobicContact CD1-CG 4.44Å; Y1632-E1635 PolarHBondContact O-N 3.13Å; Y1632-E1635 VanDerWaalsContact O-N 3.13Å; E1635-K1637 VanDerWaalsContact C-N 3.29Å; E1635-K1637 PolarHBondContact O-N 2.85Å; E1635-I1638 WeakPolarHBondContact O-CA 3.36Å; E1635-I1638 WeakPolarHBondContact O-CB 3.43Å; E1635-I1638 PolarHBondContact O-N 2.68Å; E1635-W1639 PolarHBondContact O-N 3.18Å
1636	A	85.8	Confident	81.1	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.008	33%	0.329	C	S	.	.	H	α-helix	trans	-58.9	-36.4	172.3	0	0	0	0	0	112.9	L1625 E1626 Y1632 A1634 W1639 Q1640	L1625-A1636 HydrophobicContact CB-CB 3.97Å; E1626-A1636 HydrophobicContact CB-CB 4.28Å; Y1632-A1636 PolarHBondContact O-N 3.3Å; A1634-A1636 VanDerWaalsContact C-N 3.28Å; A1634-A1636 PolarHBondContact O-N 3.31Å; A1636-W1639 PolarHBondContact O-N 2.75Å; A1636-Q1640 WeakPolarHBondContact O-CG 3.38Å; A1636-Q1640 PolarHBondContact O-N 3.09Å
1637	K	87.6	Confident	80.4	Confident	130 Å²	130	68.8 Å²	68.8	57%	0.565	33%	0.332	S	S	*	.	H	α-helix	trans	-66.6	-37.8	172.4	-65.9	176.7	178.8	-179.2	0	111.6	K1633 A1634 E1635 W1639 Q1640 Q1641	K1633-K1637 PolarHBondContact O-N 2.87Å; A1634-K1637 WeakPolarHBondContact O-CB 3.37Å; A1634-K1637 PolarHBondContact O-N 2.84Å; E1635-K1637 VanDerWaalsContact C-N 3.29Å; E1635-K1637 PolarHBondContact O-N 2.85Å; K1637-W1639 VanDerWaalsContact C-N 3.34Å; K1637-Q1640 WeakPolarHBondContact O-CB 3.36Å; K1637-Q1640 PolarHBondContact O-N 3.14Å; K1637-Q1641 WeakPolarHBondContact O-CG 3.19Å; K1637-Q1641 PolarHBondContact O-N 3.42Å
1638	I	87.1	Confident	79.5	Confident	29 Å²	29	65.1 Å²	65.1	15%	0.149	32%	0.324	C	S	.	.	H	α-helix	trans	-65.3	-41.1	177	-53.5	-180	0	0	0	109.7	A1539 E1540 L1543 A1634 E1635 Q1640 Q1641 I1642	A1539-I1638 HydrophobicContact CB-CB 3.93Å; A1539-I1638 HydrophobicContact CB-CG2 3.65Å; A1539-I1638 VanDerWaalsContact O-CG2 3.29Å; A1539-I1638 WeakPolarHBondContact O-CG2 3.23Å; E1540-I1638 HydrophobicContact CG-CD1 3.63Å; L1543-I1638 HydrophobicContact CB-CG2 4.12Å; L1543-I1638 HydrophobicContact CD2-CG2 3.88Å; A1634-I1638 PolarHBondContact O-N 3.34Å; E1635-I1638 WeakPolarHBondContact O-CA 3.36Å; E1635-I1638 WeakPolarHBondContact O-CB 3.43Å; E1635-I1638 PolarHBondContact O-N 2.68Å; I1638-Q1640 VanDerWaalsContact C-N 3.34Å; I1638-Q1640 PolarHBondContact O-N 3.17Å; I1638-Q1641 WeakPolarHBondContact O-CB 3.48Å; I1638-Q1641 PolarHBondContact O-N 3.33Å; I1638-Q1641 VanDerWaalsContact O-N 3.1Å; I1638-I1642 HydrophobicContact CG2-CD1 4.44Å; I1638-I1642 WeakPolarHBondContact O-CG1 3.24Å; I1638-I1642 PolarHBondContact O-N 2.78Å
1639	W	87.8	Confident	78.7	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.7	-31.3	171.1	-79.7	104	0	0	0	114.1	L1471 F1474 M1538 A1618 I1621 A1622 E1635 A1636 K1637 I1642 Q1643	L1471-W1639 HydrophobicContact CD2-CZ2 3.65Å; L1471-W1639 VanDerWaalsContact CD2-NE1 3.26Å; F1474-W1639 HydrophobicContact CB-CH2 4.21Å; F1474-W1639 AromaticContact CD1-CH2 3.88Å; F1474-W1639 HydrophobicContact CD1-CH2 3.88Å; F1474-W1639 AromaticContact CD2-CH2 3.81Å; F1474-W1639 HydrophobicContact CD2-CH2 3.81Å; F1474-W1639 AromaticContact CD2-CZ3 3.76Å; F1474-W1639 HydrophobicContact CD2-CZ3 3.76Å; F1474-W1639 HydrophobicContact CE1-CH2 4.13Å; F1474-W1639 HydrophobicContact CE2-CH2 4.08Å; F1474-W1639 AromaticContact CE2-CZ3 3.79Å; F1474-W1639 HydrophobicContact CE2-CZ3 3.79Å; F1474-W1639 AromaticContact CG-CH2 3.7Å; F1474-W1639 HydrophobicContact CG-CH2 3.7Å; F1474-W1639 HydrophobicContact CG-CZ3 4.16Å; F1474-W1639 HydrophobicContact CZ-CH2 4.23Å; F1474-W1639 HydrophobicContact CZ-CZ3 4.2Å; M1538-W1639 HydrophobicContact CE-CH2 4.37Å; M1538-W1639 HydrophobicContact CE-CZ2 4.3Å; A1618-W1639 HydrophobicContact CB-CE3 3.94Å; A1618-W1639 HydrophobicContact CB-CZ3 4.27Å; I1621-W1639 HydrophobicContact CB-CD2 4.43Å; I1621-W1639 HydrophobicContact CD1-CH2 4.38Å; I1621-W1639 HydrophobicContact CD1-CZ3 4.32Å; I1621-W1639 HydrophobicContact CG2-CB 4.31Å; I1621-W1639 HydrophobicContact CG2-CD2 3.6Å; I1621-W1639 HydrophobicContact CG2-CE3 4.18Å; I1621-W1639 HydrophobicContact CG2-CG 3.62Å; I1621-W1639 HydrophobicContact CG2-CZ2 4.47Å; A1622-W1639 HydrophobicContact CB-CB 3.96Å; E1635-W1639 PolarHBondContact O-N 3.18Å; A1636-W1639 PolarHBondContact O-N 2.75Å; K1637-W1639 VanDerWaalsContact C-N 3.34Å; W1639-I1642 HydrophobicContact CD2-CD1 3.96Å; W1639-I1642 HydrophobicContact CE3-CB 4.23Å; W1639-I1642 HydrophobicContact CE3-CD1 3.79Å; W1639-I1642 HydrophobicContact CE3-CG2 4.03Å; W1639-I1642 HydrophobicContact CH2-CD1 4.38Å; W1639-I1642 HydrophobicContact CZ3-CD1 4.02Å; W1639-I1642 HydrophobicContact CZ3-CG2 4.03Å; W1639-Q1643 WeakPolarHBondContact O-CB 3.32Å; W1639-Q1643 PolarHBondContact O-N 2.9Å
1640	Q	85.5	Confident	77.4	Confident	74 Å²	74	62.5 Å²	62.5	35%	0.346	32%	0.324	S	S	.	.	H	α-helix	trans	-67.7	-37.5	168.9	-69.5	171.8	7.8	0	0	111.9	A1622 A1636 K1637 I1638 Q1643 L1644	A1622-Q1640 HydrophobicContact CB-CG 3.81Å; A1636-Q1640 WeakPolarHBondContact O-CG 3.38Å; A1636-Q1640 PolarHBondContact O-N 3.09Å; K1637-Q1640 WeakPolarHBondContact O-CB 3.36Å; K1637-Q1640 PolarHBondContact O-N 3.14Å; I1638-Q1640 VanDerWaalsContact C-N 3.34Å; I1638-Q1640 PolarHBondContact O-N 3.17Å; Q1640-Q1643 WeakPolarHBondContact O-CB 3.34Å; Q1640-Q1643 PolarHBondContact O-N 3.41Å; Q1640-L1644 WeakPolarHBondContact O-CB 3.41Å; Q1640-L1644 VanDerWaalsContact O-CG 3.31Å; Q1640-L1644 WeakPolarHBondContact O-CG 3.45Å; Q1640-L1644 PolarHBondContact O-N 2.83Å
1641	Q	84.6	Confident	76	Confident	100 Å²	100	59.6 Å²	59.6	47%	0.467	31%	0.313	S	S	.	.	H	α-helix	trans	-66.1	-43.6	172.7	-67.1	-175.2	30.3	0	0	111.8	L1543 K1637 I1638 Q1643 L1644 K1645	L1543-Q1641 HydrophobicContact CD1-CB 4.26Å; L1543-Q1641 HydrophobicContact CD2-CB 4.32Å; K1637-Q1641 WeakPolarHBondContact O-CG 3.19Å; K1637-Q1641 PolarHBondContact O-N 3.42Å; I1638-Q1641 WeakPolarHBondContact O-CB 3.48Å; I1638-Q1641 PolarHBondContact O-N 3.33Å; I1638-Q1641 VanDerWaalsContact O-N 3.1Å; Q1641-Q1643 VanDerWaalsContact C-N 3.34Å; Q1641-Q1643 PolarHBondContact O-N 3.23Å; Q1641-L1644 PolarHBondContact O-N 2.89Å; Q1641-K1645 WeakPolarHBondContact O-CG 3.11Å; Q1641-K1645 PolarHBondContact O-N 2.68Å
1642	I	83.8	Confident	74.2	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-56	-49.5	170.9	-69.7	164.4	0	0	0	109.8	A1539 V1542 L1543 L1546 A1618 I1638 W1639 L1644 K1645 L1646	A1539-I1642 HydrophobicContact CB-CD1 4.43Å; A1539-I1642 WeakPolarHBondContact O-CD1 3.16Å; V1542-I1642 HydrophobicContact CB-CD1 4.08Å; V1542-I1642 HydrophobicContact CG1-CD1 3.83Å; V1542-I1642 HydrophobicContact CG1-CG1 4.29Å; V1542-I1642 HydrophobicContact CG1-CG2 4.33Å; L1543-I1642 HydrophobicContact CB-CD1 4.47Å; L1543-I1642 HydrophobicContact CB-CG1 4.06Å; L1543-I1642 HydrophobicContact CD1-CG1 4.29Å; L1546-I1642 HydrophobicContact CD1-CB 4.47Å; L1546-I1642 HydrophobicContact CD1-CG1 4.31Å; L1546-I1642 HydrophobicContact CD1-CG2 3.94Å; A1618-I1642 HydrophobicContact CB-CG2 4.25Å; I1638-I1642 HydrophobicContact CG2-CD1 4.44Å; I1638-I1642 WeakPolarHBondContact O-CG1 3.24Å; I1638-I1642 PolarHBondContact O-N 2.78Å; W1639-I1642 HydrophobicContact CD2-CD1 3.96Å; W1639-I1642 HydrophobicContact CE3-CB 4.23Å; W1639-I1642 HydrophobicContact CE3-CD1 3.79Å; W1639-I1642 HydrophobicContact CE3-CG2 4.03Å; W1639-I1642 HydrophobicContact CH2-CD1 4.38Å; W1639-I1642 HydrophobicContact CZ3-CD1 4.02Å; W1639-I1642 HydrophobicContact CZ3-CG2 4.03Å; I1642-L1644 VanDerWaalsContact C-N 3.31Å; I1642-L1644 PolarHBondContact O-N 3.06Å; I1642-K1645 PolarHBondContact O-N 3.41Å; I1642-L1646 HydrophobicContact CG2-CD1 3.65Å; I1642-L1646 HydrophobicContact CG2-CG 4.13Å; I1642-L1646 WeakPolarHBondContact O-CB 3.46Å; I1642-L1646 VanDerWaalsContact O-CG 3.23Å; I1642-L1646 WeakPolarHBondContact O-CG 3.42Å; I1642-L1646 PolarHBondContact O-N 3.45Å
1643	Q	83.4	Confident	72.3	Confident	44 Å²	44	56.4 Å²	56.4	21%	0.206	30%	0.302	C	S	.	.	H	α-helix	trans	-56.1	-45	176.4	-174.9	-159.1	-39.2	0	0	111.5	A1618 N1619 W1639 Q1640 Q1641 L1646 A1647	A1618-Q1643 HydrophobicContact CB-CB 4.06Å; N1619-Q1643 VanDerWaalsContact CA-OE1 3.29Å; N1619-Q1643 HydrophobicContact CB-CG 4.07Å; N1619-Q1643 VanDerWaalsContact CB-OE1 3.23Å; N1619-Q1643 PolarHBondContact ND2-NE2 2.96Å; W1639-Q1643 WeakPolarHBondContact O-CB 3.32Å; W1639-Q1643 PolarHBondContact O-N 2.9Å; Q1640-Q1643 WeakPolarHBondContact O-CB 3.34Å; Q1640-Q1643 PolarHBondContact O-N 3.41Å; Q1641-Q1643 VanDerWaalsContact C-N 3.34Å; Q1641-Q1643 PolarHBondContact O-N 3.23Å; Q1643-L1646 PolarHBondContact O-N 2.84Å; Q1643-A1647 WeakPolarHBondContact O-CB 3.49Å; Q1643-A1647 PolarHBondContact O-N 3.33Å
1644	L	79.7	Confident	70.1	Confident	118 Å²	118	54.6 Å²	54.6	62%	0.618	30%	0.297	S	S	*	.	H	α-helix	trans	-65.8	-41.4	178.9	-73.7	167.7	0	0	0	112.1	Q1640 Q1641 I1642 A1647 S1648	Q1640-L1644 WeakPolarHBondContact O-CB 3.41Å; Q1640-L1644 VanDerWaalsContact O-CG 3.31Å; Q1640-L1644 WeakPolarHBondContact O-CG 3.45Å; Q1640-L1644 PolarHBondContact O-N 2.83Å; Q1641-L1644 PolarHBondContact O-N 2.89Å; I1642-L1644 VanDerWaalsContact C-N 3.31Å; I1642-L1644 PolarHBondContact O-N 3.06Å; L1644-A1647 PolarHBondContact O-N 3.28Å; L1644-S1648 WeakPolarHBondContact O-CB 3.27Å; L1644-S1648 PolarHBondContact O-N 2.98Å; L1644-S1648 PolarHBondContact O-OG 3.26Å
1645	K	75.2	Confident	68	Low	87 Å²	87	57.8 Å²	57.8	38%	0.378	30%	0.304	S	S	.	.	H	α-helix	trans	-62.1	-45.5	173.2	-65.8	-70.4	-176.7	176.4	0	110.9	L1543 Q1641 I1642 A1647 S1648	L1543-K1645 HydrophobicContact CD1-CG 4.29Å; Q1641-K1645 WeakPolarHBondContact O-CG 3.11Å; Q1641-K1645 PolarHBondContact O-N 2.68Å; I1642-K1645 PolarHBondContact O-N 3.41Å; K1645-A1647 PolarHBondContact O-N 3.08Å; K1645-S1648 PolarHBondContact O-N 3.21Å; K1645-S1648 VanDerWaalsContact O-N 3.17Å; K1645-S1648 PolarHBondContact O-OG 3Å
1646	L	73.3	Confident	65.7	Low	10 Å²	10	61.5 Å²	61.5	5%	0.052	33%	0.328	C	S	.	.	H	α-helix	trans	-66.5	-34	177.5	-67.2	177.3	0	0	0	113.2	L1546 W1557 L1614 P1615 A1618 I1642 Q1643 S1648 L1649	L1546-L1646 HydrophobicContact CD1-CD2 4.32Å; L1546-L1646 HydrophobicContact CD1-CG 4.42Å; L1546-L1646 HydrophobicContact CD2-CD2 4.05Å; W1557-L1646 HydrophobicContact CH2-CD2 3.6Å; W1557-L1646 HydrophobicContact CZ3-CD2 3.39Å; L1614-L1646 HydrophobicContact CB-CD1 4.45Å; P1615-L1646 HydrophobicContact CB-CB 4.33Å; P1615-L1646 HydrophobicContact CG-CB 4.07Å; A1618-L1646 HydrophobicContact CB-CD1 4.23Å; I1642-L1646 HydrophobicContact CG2-CD1 3.65Å; I1642-L1646 HydrophobicContact CG2-CG 4.13Å; I1642-L1646 WeakPolarHBondContact O-CB 3.46Å; I1642-L1646 VanDerWaalsContact O-CG 3.23Å; I1642-L1646 WeakPolarHBondContact O-CG 3.42Å; I1642-L1646 PolarHBondContact O-N 3.45Å; Q1643-L1646 PolarHBondContact O-N 2.84Å; L1646-S1648 VanDerWaalsContact C-N 3.35Å; L1646-L1649 HydrophobicContact CD2-CD1 4.4Å; L1646-L1649 VanDerWaalsContact O-CD1 3.27Å; L1646-L1649 WeakPolarHBondContact O-CD1 3.27Å
1647	A	66.6	Low	63.3	Low	55 Å²	55	61.8 Å²	61.8	46%	0.455	33%	0.329	S	S	.	.	H	α-helix	trans	-76.8	-21.5	173.4	0	0	0	0	0	112.7	Q1643 L1644 K1645 L1649	Q1643-A1647 WeakPolarHBondContact O-CB 3.49Å; Q1643-A1647 PolarHBondContact O-N 3.33Å; L1644-A1647 PolarHBondContact O-N 3.28Å; K1645-A1647 PolarHBondContact O-N 3.08Å; A1647-L1649 VanDerWaalsContact C-N 3.27Å; A1647-L1649 PolarHBondContact O-N 3.06Å
1648	S	62.2	Low	61.1	Low	68 Å²	68	60.6 Å²	60.6	48%	0.476	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-4.5	173.9	77.1	0	0	0	0	114.1	L1644 K1645 L1646	L1644-S1648 WeakPolarHBondContact O-CB 3.27Å; L1644-S1648 PolarHBondContact O-N 2.98Å; L1644-S1648 PolarHBondContact O-OG 3.26Å; K1645-S1648 PolarHBondContact O-N 3.21Å; K1645-S1648 VanDerWaalsContact O-N 3.17Å; K1645-S1648 PolarHBondContact O-OG 3Å; L1646-S1648 VanDerWaalsContact C-N 3.35Å
1649	L	56.4	Low	58.8	Low	15 Å²	15	62.4 Å²	62.4	8%	0.079	34%	0.34	C	S	.	.	S	Bend	trans	-59.1	119.7	162.6	-82.9	90.4	0	0	0	108	L1554 W1557 A1558 Y1611 L1646 A1647	L1554-L1649 HydrophobicContact CD1-CD1 3.52Å; L1554-L1649 HydrophobicContact CD1-CG 4.47Å; L1554-L1649 HydrophobicContact CD2-CD1 4.17Å; L1554-L1649 HydrophobicContact CG-CD1 3.69Å; L1554-L1649 HydrophobicContact CG-CG 4.14Å; W1557-L1649 HydrophobicContact CD2-CD2 4.37Å; W1557-L1649 HydrophobicContact CE3-CD2 4.5Å; A1558-L1649 HydrophobicContact CB-CD2 3.75Å; A1558-L1649 HydrophobicContact CB-CG 4.07Å; Y1611-L1649 HydrophobicContact CE2-CD2 3.62Å; L1646-L1649 HydrophobicContact CD2-CD1 4.4Å; L1646-L1649 VanDerWaalsContact O-CD1 3.27Å; L1646-L1649 WeakPolarHBondContact O-CD1 3.27Å; A1647-L1649 VanDerWaalsContact C-N 3.27Å; A1647-L1649 PolarHBondContact O-N 3.06Å
1650	P	45.4	Very low	56.3	Low	65 Å²	65	64.8 Å²	64.8	42%	0.422	35%	0.353	S	S	.	.			trans	-69.1	144.1	-143.5	17.7	-31.5	0	0	0	115.8	T1652	P1650-T1652 HydrophobicContact CB-CG2 3.79Å; P1650-T1652 HydrophobicContact CG-CG2 3.71Å; P1650-T1652 PolarHBondContact O-N 3.43Å
1651	Q	45.3	Very low	54.1	Low	127 Å²	127	63.3 Å²	63.3	59%	0.593	35%	0.349	S	S	*	.			trans	-65.5	59.8	163.1	-67.1	164.6	-51.6	0	0	110.9	I1653 D1654	Q1651-I1653 PolarHBondContact O-N 3.43Å; Q1651-D1654 PolarHBondContact O-N 3.33Å
1652	T	40.2	Very low	52.1	Low	42 Å²	42	65.2 Å²	65.2	26%	0.258	36%	0.356	S	S	.	.	H	α-helix	trans	-64.1	-6.3	-173.4	51.1	0	0	0	0	114.6	Q1562 P1650 V1656	Q1562-T1652 PolarHBondContact NE2-OG1 2.81Å; P1650-T1652 HydrophobicContact CB-CG2 3.79Å; P1650-T1652 HydrophobicContact CG-CG2 3.71Å; P1650-T1652 PolarHBondContact O-N 3.43Å; T1652-V1656 VanDerWaalsContact O-CG2 3.27Å; T1652-V1656 WeakPolarHBondContact O-CG2 3.4Å; T1652-V1656 PolarHBondContact O-N 2.81Å
1653	I	39.2	Very low	49.9	Very low	29 Å²	29	72.6 Å²	72.6	15%	0.149	38%	0.383	C	S	.	.	H	α-helix	trans	-64.4	-47.1	173.5	-60.9	-178.8	0	0	0	110.2	Q1651 V1656 C1657 H1703 H1704 V1707	Q1651-I1653 PolarHBondContact O-N 3.43Å; I1653-V1656 PolarHBondContact O-N 3.16Å; I1653-C1657 WeakPolarHBondContact O-CB 3.39Å; I1653-C1657 PolarHBondContact O-N 3.02Å; I1653-C1657 PolarHBondContact O-SG 2.88Å; I1653-C1657 VanDerWaalsContact O-SG 3.36Å; I1653-H1703 VanDerWaalsContact CD1-CE1 3.4Å; I1653-H1703 WeakPolarHBondContact CD1-CE1 3.34Å; I1653-H1704 WeakPolarHBondContact CG2-ND1 3.31Å; I1653-V1707 HydrophobicContact CD1-CB 3.84Å; I1653-V1707 HydrophobicContact CD1-CG1 3.59Å; I1653-V1707 HydrophobicContact CD1-CG2 4.3Å
1654	D	35.4	Very low	47.9	Very low	67 Å²	67	73.5 Å²	73.5	36%	0.358	39%	0.389	S	S	.	.	H	α-helix	trans	-74.6	-41.1	-171.6	-64	-37.8	0	0	0	112.4	Q1651 V1656 C1657 M1658 H1704	Q1651-D1654 PolarHBondContact O-N 3.33Å; D1654-V1656 PolarHBondContact O-N 3.22Å; D1654-C1657 PolarHBondContact O-N 3.48Å; D1654-M1658 HydrophobicContact CB-CG 4.45Å; D1654-M1658 VanDerWaalsContact O-CB 3.24Å; D1654-M1658 WeakPolarHBondContact O-CB 3.46Å; D1654-M1658 PolarHBondContact O-N 3.49Å; D1654-H1704 IonicContact OD1-CE1 3.82Å
1655	N	37.1	Very low	45.9	Very low	138 Å²	138	73.3 Å²	73.3	74%	0.738	39%	0.389	S	S	*	.	H	α-helix	trans	-64.6	-25.5	176.9	-73.2	-23.7	0	0	0	113.4	P1659	N1655-P1659 WeakPolarHBondContact O-CD 3.41Å; N1655-P1659 WeakPolarHBondContact O-CG 3.32Å
1656	V	37.9	Very low	44.4	Very low	93 Å²	93	74.6 Å²	74.6	56%	0.564	40%	0.399	S	S	*	.	H	α-helix	trans	-88.9	-40.1	175.4	174.2	0	0	0	0	111.4	T1652 I1653 D1654	T1652-V1656 VanDerWaalsContact O-CG2 3.27Å; T1652-V1656 WeakPolarHBondContact O-CG2 3.4Å; T1652-V1656 PolarHBondContact O-N 2.81Å; I1653-V1656 PolarHBondContact O-N 3.16Å; D1654-V1656 PolarHBondContact O-N 3.22Å
1657	C	35.9	Very low	42.5	Very low	6 Å²	6	76.9 Å²	76.9	4%	0.041	43%	0.425	C	S	.	.	H	α-helix	trans	-93.2	-32	-170.8	-64.4	0	0	0	0	114.3	I1653 D1654 L1660 V1661 H1704	I1653-C1657 WeakPolarHBondContact O-CB 3.39Å; I1653-C1657 PolarHBondContact O-N 3.02Å; I1653-C1657 PolarHBondContact O-SG 2.88Å; I1653-C1657 VanDerWaalsContact O-SG 3.36Å; D1654-C1657 PolarHBondContact O-N 3.48Å; C1657-L1660 CarbonylContact O-C 3.02Å; C1657-L1660 WeakPolarHBondContact O-CA 3.33Å; C1657-L1660 VanDerWaalsContact O-CB 3.28Å; C1657-L1660 WeakPolarHBondContact O-CB 3.42Å; C1657-L1660 PolarHBondContact O-N 2.95Å; C1657-V1661 WeakPolarHBondContact O-CG2 3.44Å; C1657-V1661 PolarHBondContact O-N 3.22Å; C1657-H1704 WeakPolarHBondContact CB-CE1 3.41Å; C1657-H1704 WeakPolarHBondContact CB-NE2 3.23Å
1658	M	40.5	Very low	41.2	Very low	106 Å²	106	79.8 Å²	79.8	52%	0.522	43%	0.429	S	S	.	.	H	α-helix	trans	-62.4	-38.9	177.7	-80.3	-71.2	-78.4	0	0	113.9	D1654 L1660 K1662	D1654-M1658 HydrophobicContact CB-CG 4.45Å; D1654-M1658 VanDerWaalsContact O-CB 3.24Å; D1654-M1658 WeakPolarHBondContact O-CB 3.46Å; D1654-M1658 PolarHBondContact O-N 3.49Å; M1658-L1660 VanDerWaalsContact C-N 3.25Å; M1658-L1660 PolarHBondContact O-N 2.96Å; M1658-K1662 WeakPolarHBondContact O-CB 3.16Å; M1658-K1662 PolarHBondContact O-N 2.93Å
1659	P	38.6	Very low	39.7	Very low	66 Å²	66	79.9 Å²	79.9	43%	0.429	42%	0.424	S	S	.	.	H	α-helix	trans	-63.2	-33	169.9	-23.2	35	0	0	0	112.8	N1655 R1663	N1655-P1659 WeakPolarHBondContact O-CD 3.41Å; N1655-P1659 WeakPolarHBondContact O-CG 3.32Å; P1659-R1663 WeakPolarHBondContact O-CG 3.18Å; P1659-R1663 PolarHBondContact O-N 3.48Å
1660	L	35.7	Very low	38.6	Very low	50 Å²	50	84.9 Å²	84.9	26%	0.262	46%	0.459	S	S	.	.	H	α-helix	trans	-74.2	-43.2	-178.7	-145	162.4	0	0	0	110.9	C1657 M1658 R1663 I1664 L1693	C1657-L1660 CarbonylContact O-C 3.02Å; C1657-L1660 WeakPolarHBondContact O-CA 3.33Å; C1657-L1660 VanDerWaalsContact O-CB 3.28Å; C1657-L1660 WeakPolarHBondContact O-CB 3.42Å; C1657-L1660 PolarHBondContact O-N 2.95Å; M1658-L1660 VanDerWaalsContact C-N 3.25Å; M1658-L1660 PolarHBondContact O-N 2.96Å; L1660-R1663 PolarHBondContact O-N 3.36Å; L1660-I1664 HydrophobicContact CD2-CD1 3.8Å; L1660-I1664 HydrophobicContact CD2-CG1 4.49Å; L1660-I1664 WeakPolarHBondContact O-CG1 3.41Å; L1660-I1664 PolarHBondContact O-N 3.37Å; L1660-L1693 HydrophobicContact CD2-CD1 4.33Å
1661	V	40	Very low	37.7	Very low	44 Å²	44	87.4 Å²	87.4	27%	0.267	47%	0.474	S	S	.	.	H	α-helix	trans	-64	-39.8	170	171.9	0	0	0	0	111	C1657 I1664 N1665	C1657-V1661 WeakPolarHBondContact O-CG2 3.44Å; C1657-V1661 PolarHBondContact O-N 3.22Å; V1661-I1664 PolarHBondContact O-N 3.31Å; V1661-N1665 WeakPolarHBondContact O-CB 3.38Å; V1661-N1665 VanDerWaalsContact O-CG 3.23Å; V1661-N1665 PolarHBondContact O-N 3.1Å
1662	K	42.1	Very low	37	Very low	139 Å²	139	86.5 Å²	86.5	60%	0.604	48%	0.481	S	S	*	.	H	α-helix	trans	-57.8	-49.7	170.4	-94.4	-174	173	-179.5	0	111.6	M1658 I1664 N1665 L1666	M1658-K1662 WeakPolarHBondContact O-CB 3.16Å; M1658-K1662 PolarHBondContact O-N 2.93Å; K1662-I1664 VanDerWaalsContact C-N 3.32Å; K1662-I1664 PolarHBondContact O-N 2.83Å; K1662-N1665 PolarHBondContact O-N 3.2Å; K1662-L1666 VanDerWaalsContact O-CB 3.28Å; K1662-L1666 WeakPolarHBondContact O-CB 3.41Å; K1662-L1666 WeakPolarHBondContact O-CD1 3.28Å; K1662-L1666 WeakPolarHBondContact O-CG 3.44Å; K1662-L1666 PolarHBondContact O-N 3.42Å
1663	R	37.8	Very low	36.6	Very low	155 Å²	155	92.4 Å²	92.4	59%	0.585	51%	0.51	S	S	*	.	H	α-helix	trans	-62.3	-36.2	179.2	-74.1	177.3	178.9	174.4	0.3	113.2	P1659 L1660 Q1668	P1659-R1663 WeakPolarHBondContact O-CG 3.18Å; P1659-R1663 PolarHBondContact O-N 3.48Å; L1660-R1663 PolarHBondContact O-N 3.36Å; R1663-Q1668 PolarHBondContact O-N 3.11Å
1664	I	41.7	Very low	36.2	Very low	63 Å²	63	96 Å²	96	32%	0.323	53%	0.53	S	S	.	.	H	α-helix	trans	-65.9	-50.4	172.7	-69.6	165.2	0	0	0	110.8	L1660 V1661 K1662 L1666 G1667 L1669	L1660-I1664 HydrophobicContact CD2-CD1 3.8Å; L1660-I1664 HydrophobicContact CD2-CG1 4.49Å; L1660-I1664 WeakPolarHBondContact O-CG1 3.41Å; L1660-I1664 PolarHBondContact O-N 3.37Å; V1661-I1664 PolarHBondContact O-N 3.31Å; K1662-I1664 VanDerWaalsContact C-N 3.32Å; K1662-I1664 PolarHBondContact O-N 2.83Å; I1664-L1666 VanDerWaalsContact C-N 3.27Å; I1664-L1666 PolarHBondContact O-N 3.02Å; I1664-G1667 PolarHBondContact O-N 3.21Å; I1664-L1669 HydrophobicContact CG1-CD1 4.05Å
1665	N	37.5	Very low	36	Very low	114 Å²	114	101.9 Å²	101.9	61%	0.61	55%	0.552	S	S	*	*	H	α-helix	trans	-70.1	-21.3	-178	-68.5	-8.1	0	0	0	113.6	V1661 K1662 G1667	V1661-N1665 WeakPolarHBondContact O-CB 3.38Å; V1661-N1665 VanDerWaalsContact O-CG 3.23Å; V1661-N1665 PolarHBondContact O-N 3.1Å; K1662-N1665 PolarHBondContact O-N 3.2Å; N1665-G1667 VanDerWaalsContact C-N 3.29Å
1666	L	43.7	Very low	35.7	Very low	114 Å²	114	103.8 Å²	103.8	60%	0.597	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	0.7	171.9	-70.5	168.4	0	0	0	113.2	K1662 I1664 Q1668	K1662-L1666 VanDerWaalsContact O-CB 3.28Å; K1662-L1666 WeakPolarHBondContact O-CB 3.41Å; K1662-L1666 WeakPolarHBondContact O-CD1 3.28Å; K1662-L1666 WeakPolarHBondContact O-CG 3.44Å; K1662-L1666 PolarHBondContact O-N 3.42Å; I1664-L1666 VanDerWaalsContact C-N 3.27Å; I1664-L1666 PolarHBondContact O-N 3.02Å; L1666-Q1668 VanDerWaalsContact C-N 3.26Å; L1666-Q1668 HydrophobicContact CB-CG 3.95Å; L1666-Q1668 PolarHBondContact O-N 3.41Å
1667	G	33.6	Very low	35.5	Very low	58 Å²	58	104.8 Å²	104.8	60%	0.598	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.4	16.2	175	0	0	0	0	0	115.3	I1664 N1665 L1669	I1664-G1667 PolarHBondContact O-N 3.21Å; N1665-G1667 VanDerWaalsContact C-N 3.29Å; G1667-L1669 PolarHBondContact O-N 3.09Å
1668	Q	39	Very low	35.2	Very low	117 Å²	117	111.3 Å²	111.3	55%	0.547	59%	0.589	S	S	.	*			trans	-78.2	37.4	-170.7	-63.3	180	-34.3	0	0	113.8	R1663 L1666	R1663-Q1668 PolarHBondContact O-N 3.11Å; L1666-Q1668 VanDerWaalsContact C-N 3.26Å; L1666-Q1668 HydrophobicContact CB-CG 3.95Å; L1666-Q1668 PolarHBondContact O-N 3.41Å
1669	L	29.5	Very low	34.4	Very low	70 Å²	70	113.5 Å²	113.5	37%	0.366	60%	0.602	S	S	.	*			trans	-135.1	84	-173.7	-65	174	0	0	0	110.7	I1664 G1667 F1690 L1693	I1664-L1669 HydrophobicContact CG1-CD1 4.05Å; G1667-L1669 PolarHBondContact O-N 3.09Å; L1669-F1690 HydrophobicContact CB-CD2 4.27Å; L1669-F1690 HydrophobicContact CB-CE2 4.14Å; L1669-F1690 HydrophobicContact CD1-CE2 4.21Å; L1669-F1690 HydrophobicContact CD2-CD2 4.32Å; L1669-L1693 HydrophobicContact CD1-CD2 3.73Å; L1669-L1693 HydrophobicContact CD2-CD2 4.21Å
1670	C	34	Very low	34	Very low	119 Å²	119	115.9 Å²	115.9	80%	0.804	62%	0.62	S	S	*	*			trans	-68.5	137.5	179.5	-59.3	0	0	0	0	112.6
1671	T	27.2	Very low	33.7	Very low	119 Å²	119	123.3 Å²	123.3	73%	0.73	65%	0.65	S	S	*	*			trans	-91.5	129.2	173.5	49.7	0	0	0	0	111.3
1672	S	29.3	Very low	33.4	Very low	107 Å²	107	126.4 Å²	126.4	75%	0.748	67%	0.671	S	S	*	*			trans	67	141.1	177.1	78.9	0	0	0	0	116.8
1673	L	32.6	Very low	32.7	Very low	167 Å²	167	127.5 Å²	127.5	87%	0.874	68%	0.683	S	S	*	*				-165.5	136.6	127	-106.1	164.8	0	0	0	108.1
1674	D	30.9	Very low	32.4	Very low	104 Å²	104	124.9 Å²	124.9	56%	0.556	69%	0.686	S	S	*	*			trans	-91.4	154.6	173.3	-82.1	-65.4	0	0	0	110.5	R1754	D1674-R1754 VanDerWaalsContact CG-NH1 3.33Å; D1674-R1754 IonicContact OD1-CZ 2.7Å; D1674-R1754 IonicContact OD1-NH1 2.72Å; D1674-R1754 PolarHBondContact OD1-NH1 3.37Å; D1674-R1754 IonicContact OD1-NH2 3.2Å; D1674-R1754 PolarHBondContact OD1-NH2 3Å; D1674-R1754 IonicContact OD2-NH1 2.73Å; D1674-R1754 PolarHBondContact OD2-NH1 3Å
1675	K	30.9	Very low	31.8	Very low	191 Å²	191	129.4 Å²	129.4	83%	0.83	71%	0.711	S	S	*	*			trans	-81.7	143.1	167.7	-49.3	-176.5	179.6	-174.8	0	107
1676	K	32.2	Very low	31.5	Very low	177 Å²	177	131.2 Å²	131.2	77%	0.77	72%	0.72	S	S	*	*			cis	-156.1	162.9	35.8	-79.1	-171.3	150.7	-161.2	0	108.9
1677	D	31.8	Very low	30.9	Very low	115 Å²	115	133.8 Å²	133.8	62%	0.615	73%	0.733	S	S	*	*			cis	-151.7	-162.7	-17.8	-89.7	-25.3	0	0	0	102.8
1678	I	29.9	Very low	31.1	Very low	142 Å²	142	138.1 Å²	138.1	73%	0.728	74%	0.742	S	S	*	*			cis	-153.7	154.1	12.5	-160.1	163.1	0	0	0	112
1679	L	24.2	Very low	31	Very low	153 Å²	153	136.7 Å²	136.7	80%	0.801	74%	0.743	S	S	*	*			trans	-4.4	129.8	163.1	-55.9	170.9	0	0	0	120.9
1680	S	29.4	Very low	31.2	Very low	115 Å²	115	137.6 Å²	137.6	80%	0.804	74%	0.744	S	S	*	*				-156.3	118.4	112.1	47.2	0	0	0	0	114.3
1681	K	31.3	Very low	31.4	Very low	206 Å²	206	138.9 Å²	138.9	90%	0.896	74%	0.738	S	S	*	*			trans	70.6	155.5	163.4	-69.3	-175.9	177.9	-177.5	0	117.9
1682	P	32.2	Very low	32.1	Very low	109 Å²	109	139.1 Å²	139.1	71%	0.708	73%	0.731	S	S	*	*			trans	-130.7	156.1	-131.6	42.4	-29.7	0	0	0	119.1
1683	L	28.6	Very low	32.6	Very low	163 Å²	163	136.4 Å²	136.4	85%	0.853	71%	0.707	S	S	*	*			trans	53	164.3	149.2	-96	66.8	0	0	0	120.4
1684	P	32.1	Very low	32.9	Very low	100 Å²	100	132.6 Å²	132.6	65%	0.649	69%	0.688	S	S	*	*			cis	-126.2	169	-3.1	38.3	-21.6	0	0	0	117.1
1685	D	28	Very low	33.5	Very low	157 Å²	157	133.4 Å²	133.4	84%	0.84	69%	0.691	S	S	*	*			trans	66.9	148.1	152.6	-67.9	-19.9	0	0	0	125.3
1686	L	30.7	Very low	34.1	Very low	153 Å²	153	127.2 Å²	127.2	80%	0.801	67%	0.667	S	S	*	*			trans	79.7	45.3	156	-143.7	80.7	0	0	0	121.5
1687	L	32.1	Very low	34.3	Very low	168 Å²	168	123.4 Å²	123.4	88%	0.88	65%	0.651	S	S	*	*			trans	-129.6	130.9	161	-77.2	172.2	0	0	0	113.3
1688	L	36.8	Very low	34.6	Very low	149 Å²	149	120.9 Å²	120.9	78%	0.78	64%	0.64	S	S	*	*			trans	-113.4	147.6	175.1	-108.5	80.9	0	0	0	111.5
1689	P	37	Very low	34.9	Very low	86 Å²	86	119 Å²	119	56%	0.558	62%	0.624	S	S	*	*			trans	-77.1	142.7	-173.6	29.9	-35.1	0	0	0	114.4	Q1691 H1692	P1689-Q1691 PolarHBondContact O-N 3.15Å; P1689-H1692 PolarHBondContact O-N 2.89Å; P1689-H1692 VanDerWaalsContact O-N 3.1Å
1690	F	34	Very low	35.8	Very low	90 Å²	90	113.5 Å²	113.5	40%	0.395	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-50.3	-25.2	-178.1	-166.2	-106.3	0	0	0	115.3	L1669 H1692 L1693 L1694	L1669-F1690 HydrophobicContact CB-CD2 4.27Å; L1669-F1690 HydrophobicContact CB-CE2 4.14Å; L1669-F1690 HydrophobicContact CD1-CE2 4.21Å; L1669-F1690 HydrophobicContact CD2-CD2 4.32Å; F1690-H1692 VanDerWaalsContact C-N 3.27Å; F1690-H1692 PolarHBondContact O-N 3.01Å; F1690-L1693 WeakPolarHBondContact O-CA 3.4Å; F1690-L1693 WeakPolarHBondContact O-CB 3.35Å; F1690-L1693 PolarHBondContact O-N 3.35Å; F1690-L1694 HydrophobicContact CD1-CD1 3.81Å; F1690-L1694 HydrophobicContact CD1-CG 4.05Å; F1690-L1694 HydrophobicContact CE1-CD1 3.68Å; F1690-L1694 HydrophobicContact CE1-CD2 4.25Å; F1690-L1694 HydrophobicContact CE1-CG 3.78Å; F1690-L1694 PolarHBondContact O-N 2.75Å; F1690-L1694 VanDerWaalsContact O-N 3.16Å
1691	Q	38.8	Very low	36.2	Very low	146 Å²	146	111.4 Å²	111.4	68%	0.682	58%	0.576	S	S	*	*	H	α-helix	trans	-59.3	-32.9	177.7	-169.1	170.2	0.1	0	0	113.3	P1689 L1693	P1689-Q1691 PolarHBondContact O-N 3.15Å; Q1691-L1693 VanDerWaalsContact C-N 3.32Å
1692	H	40.9	Very low	36.5	Very low	124 Å²	124	105 Å²	105	57%	0.574	55%	0.549	S	S	*	.	H	α-helix	trans	-74.3	-20.6	173.3	-95.1	-99.6	0	0	0	113.5	P1689 F1690 N1696	P1689-H1692 PolarHBondContact O-N 2.89Å; P1689-H1692 VanDerWaalsContact O-N 3.1Å; F1690-H1692 VanDerWaalsContact C-N 3.27Å; F1690-H1692 PolarHBondContact O-N 3.01Å; H1692-N1696 PolarHBondContact O-ND2 3.49Å
1693	L	41.4	Very low	36.8	Very low	50 Å²	50	104.2 Å²	104.2	26%	0.262	54%	0.535	S	S	.	.	H	α-helix	trans	-80.3	-46.9	177	-150.4	77.7	0	0	0	110.9	L1660 L1669 F1690 Q1691 L1695 N1696 F1697	L1660-L1693 HydrophobicContact CD2-CD1 4.33Å; L1669-L1693 HydrophobicContact CD1-CD2 3.73Å; L1669-L1693 HydrophobicContact CD2-CD2 4.21Å; F1690-L1693 WeakPolarHBondContact O-CA 3.4Å; F1690-L1693 WeakPolarHBondContact O-CB 3.35Å; F1690-L1693 PolarHBondContact O-N 3.35Å; Q1691-L1693 VanDerWaalsContact C-N 3.32Å; L1693-L1695 VanDerWaalsContact C-N 3.33Å; L1693-L1695 PolarHBondContact O-N 3.12Å; L1693-N1696 CarbonylContact O-C 3.1Å; L1693-N1696 WeakPolarHBondContact O-CA 3.49Å; L1693-N1696 PolarHBondContact O-N 3.07Å; L1693-F1697 PolarHBondContact O-N 3.16Å
1694	L	38.9	Very low	37.2	Very low	87 Å²	87	98.2 Å²	98.2	46%	0.455	50%	0.503	S	S	.	.	H	α-helix	trans	-59.3	-37.5	-179.7	-81.9	172.9	0	0	0	113.6	F1690 N1696 F1697 P1698	F1690-L1694 HydrophobicContact CD1-CD1 3.81Å; F1690-L1694 HydrophobicContact CD1-CG 4.05Å; F1690-L1694 HydrophobicContact CE1-CD1 3.68Å; F1690-L1694 HydrophobicContact CE1-CD2 4.25Å; F1690-L1694 HydrophobicContact CE1-CG 3.78Å; F1690-L1694 PolarHBondContact O-N 2.75Å; F1690-L1694 VanDerWaalsContact O-N 3.16Å; L1694-N1696 PolarHBondContact O-N 3.36Å; L1694-F1697 PolarHBondContact O-N 3.43Å; L1694-P1698 WeakPolarHBondContact O-CD 3.43Å
1695	L	41.7	Very low	37.4	Very low	121 Å²	121	99.8 Å²	99.8	63%	0.634	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.9	175.4	-76.5	167	0	0	0	114	L1693 R1699	L1693-L1695 VanDerWaalsContact C-N 3.33Å; L1693-L1695 PolarHBondContact O-N 3.12Å; L1695-R1699 PolarHBondContact O-NE 3.31Å
1696	N	44.2	Very low	38.1	Very low	61 Å²	61	94.7 Å²	94.7	33%	0.326	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-16.5	178.5	-69.7	-58.2	0	0	0	113.5	H1692 L1693 L1694 R1699 V1700	H1692-N1696 PolarHBondContact O-ND2 3.49Å; L1693-N1696 CarbonylContact O-C 3.1Å; L1693-N1696 WeakPolarHBondContact O-CA 3.49Å; L1693-N1696 PolarHBondContact O-N 3.07Å; L1694-N1696 PolarHBondContact O-N 3.36Å; N1696-R1699 WeakPolarHBondContact O-CA 3.5Å; N1696-R1699 VanDerWaalsContact O-CB 3.23Å; N1696-R1699 WeakPolarHBondContact O-CB 3.35Å; N1696-R1699 PolarHBondContact O-N 3.1Å; N1696-R1699 WeakPolarHBondContact OD1-CD 3.32Å; N1696-R1699 PolarHBondContact OD1-NE 3.14Å; N1696-V1700 PolarHBondContact O-N 3.1Å
1697	F	36.8	Very low	38.5	Very low	97 Å²	97	90.7 Å²	90.7	43%	0.425	45%	0.452	S	S	.	.	H	α-helix	trans	-55.3	-44.1	-175.9	-169.8	-104.8	0	0	0	113.6	L1693 L1694 R1699 V1700 L1701	L1693-F1697 PolarHBondContact O-N 3.16Å; L1694-F1697 PolarHBondContact O-N 3.43Å; F1697-R1699 PolarHBondContact O-N 2.95Å; F1697-V1700 PolarHBondContact O-N 3.34Å; F1697-L1701 HydrophobicContact CD1-CD1 4.21Å; F1697-L1701 HydrophobicContact CE1-CD1 3.62Å; F1697-L1701 HydrophobicContact CZ-CD1 3.87Å; F1697-L1701 PolarHBondContact O-N 2.84Å
1698	P	38.4	Very low	38.6	Very low	61 Å²	61	84.5 Å²	84.5	40%	0.396	43%	0.425	S	S	.	.	H	α-helix	trans	-65.6	-23.5	173.2	-21.1	34.3	0	0	0	114.1	L1694 F1702	L1694-P1698 WeakPolarHBondContact O-CD 3.43Å; P1698-F1702 WeakPolarHBondContact O-CB 3.37Å; P1698-F1702 PolarHBondContact O-N 3.05Å
1699	R	36.1	Very low	38.6	Very low	103 Å²	103	82.6 Å²	82.6	39%	0.389	41%	0.412	S	S	.	.	H	α-helix	trans	-75	-47.6	175.5	-47	-177.8	-167.2	-158.6	2.7	110.3	M1569 L1695 N1696 F1697 F1702 H1703	M1569-R1699 HydrophobicContact SD-CG 4.39Å; L1695-R1699 PolarHBondContact O-NE 3.31Å; N1696-R1699 WeakPolarHBondContact O-CA 3.5Å; N1696-R1699 VanDerWaalsContact O-CB 3.23Å; N1696-R1699 WeakPolarHBondContact O-CB 3.35Å; N1696-R1699 PolarHBondContact O-N 3.1Å; N1696-R1699 WeakPolarHBondContact OD1-CD 3.32Å; N1696-R1699 PolarHBondContact OD1-NE 3.14Å; F1697-R1699 PolarHBondContact O-N 2.95Å; R1699-F1702 PolarHBondContact O-N 3.37Å; R1699-H1703 VanDerWaalsContact O-CB 3.29Å; R1699-H1703 WeakPolarHBondContact O-CB 3.47Å; R1699-H1703 PolarHBondContact O-N 3.09Å
1700	V	42	Very low	38.5	Very low	38 Å²	38	81.7 Å²	81.7	23%	0.23	41%	0.412	C	S	.	.	H	α-helix	trans	-62.9	-46.7	-179.3	178.9	0	0	0	0	110.8	N1696 F1697 F1702 H1703 H1704	N1696-V1700 PolarHBondContact O-N 3.1Å; F1697-V1700 PolarHBondContact O-N 3.34Å; V1700-F1702 PolarHBondContact O-N 2.94Å; V1700-H1703 PolarHBondContact O-N 3.03Å; V1700-H1704 PolarHBondContact O-N 2.89Å
1701	L	38	Very low	38.5	Very low	70 Å²	70	83.6 Å²	83.6	37%	0.366	42%	0.422	S	S	.	.	H	α-helix	trans	-60.4	-44.1	177.7	-111.1	164.9	0	0	0	112.5	F1697 W1705	F1697-L1701 HydrophobicContact CD1-CD1 4.21Å; F1697-L1701 HydrophobicContact CE1-CD1 3.62Å; F1697-L1701 HydrophobicContact CZ-CD1 3.87Å; F1697-L1701 PolarHBondContact O-N 2.84Å; L1701-W1705 PolarHBondContact O-N 2.89Å
1702	F	38.3	Very low	38	Very low	73 Å²	73	81.5 Å²	81.5	32%	0.32	42%	0.419	S	S	.	.	H	α-helix	trans	-69.3	-34.9	177.7	-160.7	-92.5	0	0	0	112.2	L1054 P1698 R1699 V1700 V1706 T1734 L1737	L1054-F1702 HydrophobicContact CD1-CD2 4.46Å; L1054-F1702 HydrophobicContact CD1-CE1 4.29Å; L1054-F1702 HydrophobicContact CD1-CE2 3.8Å; L1054-F1702 HydrophobicContact CD1-CZ 3.7Å; L1054-F1702 HydrophobicContact CD2-CE2 4.01Å; L1054-F1702 HydrophobicContact CG-CE2 4.21Å; L1054-F1702 HydrophobicContact CG-CZ 4.41Å; P1698-F1702 WeakPolarHBondContact O-CB 3.37Å; P1698-F1702 PolarHBondContact O-N 3.05Å; R1699-F1702 PolarHBondContact O-N 3.37Å; V1700-F1702 PolarHBondContact O-N 2.94Å; F1702-V1706 HydrophobicContact CD1-CG2 4.31Å; F1702-V1706 HydrophobicContact CD2-CG2 4Å; F1702-V1706 HydrophobicContact CE1-CB 4.38Å; F1702-V1706 HydrophobicContact CE1-CG1 4.45Å; F1702-V1706 HydrophobicContact CE1-CG2 4.14Å; F1702-V1706 HydrophobicContact CE2-CG2 3.8Å; F1702-V1706 HydrophobicContact CG-CG2 4.24Å; F1702-V1706 HydrophobicContact CZ-CB 4.5Å; F1702-V1706 HydrophobicContact CZ-CG1 4.42Å; F1702-V1706 HydrophobicContact CZ-CG2 3.87Å; F1702-V1706 WeakPolarHBondContact O-CB 3.45Å; F1702-V1706 PolarHBondContact O-N 2.99Å; F1702-T1734 HydrophobicContact CE2-CG2 4.23Å; F1702-T1734 HydrophobicContact CZ-CG2 4.44Å; F1702-L1737 HydrophobicContact CD2-CD2 4.12Å
1703	H	38.3	Very low	37.6	Very low	91 Å²	91	79.9 Å²	79.9	42%	0.421	42%	0.418	S	S	.	.	H	α-helix	trans	-70.2	-37.4	178.5	-157.2	14	0	0	0	112.4	I1653 R1699 V1700 V1707	I1653-H1703 VanDerWaalsContact CD1-CE1 3.4Å; I1653-H1703 WeakPolarHBondContact CD1-CE1 3.34Å; R1699-H1703 VanDerWaalsContact O-CB 3.29Å; R1699-H1703 WeakPolarHBondContact O-CB 3.47Å; R1699-H1703 PolarHBondContact O-N 3.09Å; V1700-H1703 PolarHBondContact O-N 3.03Å; H1703-V1707 WeakPolarHBondContact O-CB 3.49Å; H1703-V1707 VanDerWaalsContact O-CG2 3.31Å; H1703-V1707 WeakPolarHBondContact O-CG2 3.29Å
1704	H	37.7	Very low	37.1	Very low	38 Å²	38	81.5 Å²	81.5	18%	0.176	43%	0.43	C	S	.	.	H	α-helix	trans	-76.7	-53.2	176.3	-104.8	-13.6	0	0	0	112.7	I1653 D1654 C1657 V1700 V1706 A1708	I1653-H1704 WeakPolarHBondContact CG2-ND1 3.31Å; D1654-H1704 IonicContact OD1-CE1 3.82Å; C1657-H1704 WeakPolarHBondContact CB-CE1 3.41Å; C1657-H1704 WeakPolarHBondContact CB-NE2 3.23Å; V1700-H1704 PolarHBondContact O-N 2.89Å; H1704-V1706 PolarHBondContact O-N 3.32Å; H1704-A1708 VanDerWaalsContact O-CB 3.32Å; H1704-A1708 WeakPolarHBondContact O-CB 3.25Å; H1704-A1708 PolarHBondContact O-N 3.19Å
1705	W	36.1	Very low	36.6	Very low	132 Å²	132	84.5 Å²	84.5	50%	0.5	45%	0.446	S	S	.	.	H	α-helix	trans	-76.4	-23.2	-167.9	-128.2	62.1	0	0	0	114.7	L1701 H1709 L1737	L1701-W1705 PolarHBondContact O-N 2.89Å; W1705-H1709 AromaticContact NE1-CD2 3.79Å; W1705-L1737 HydrophobicContact CE3-CD1 4.33Å
1706	V	41.3	Very low	36.1	Very low	51 Å²	51	87 Å²	87	31%	0.309	45%	0.452	S	S	.	.	H	α-helix	trans	-94.8	-17.5	179	-173.4	0	0	0	0	112.6	F1702 H1704 T1734	F1702-V1706 HydrophobicContact CD1-CG2 4.31Å; F1702-V1706 HydrophobicContact CD2-CG2 4Å; F1702-V1706 HydrophobicContact CE1-CB 4.38Å; F1702-V1706 HydrophobicContact CE1-CG1 4.45Å; F1702-V1706 HydrophobicContact CE1-CG2 4.14Å; F1702-V1706 HydrophobicContact CE2-CG2 3.8Å; F1702-V1706 HydrophobicContact CG-CG2 4.24Å; F1702-V1706 HydrophobicContact CZ-CB 4.5Å; F1702-V1706 HydrophobicContact CZ-CG1 4.42Å; F1702-V1706 HydrophobicContact CZ-CG2 3.87Å; F1702-V1706 WeakPolarHBondContact O-CB 3.45Å; F1702-V1706 PolarHBondContact O-N 2.99Å; H1704-V1706 PolarHBondContact O-N 3.32Å; V1706-T1734 HydrophobicContact CG1-CG2 4.37Å; V1706-T1734 HydrophobicContact CG2-CG2 3.79Å
1707	V	40.4	Very low	35.5	Very low	68 Å²	68	90.6 Å²	90.6	41%	0.412	47%	0.471	S	S	.	.	H	α-helix	trans	-107.2	-48.2	-179.7	-167	0	0	0	0	112.4	I1653 H1703 H1709 A1710	I1653-V1707 HydrophobicContact CD1-CB 3.84Å; I1653-V1707 HydrophobicContact CD1-CG1 3.59Å; I1653-V1707 HydrophobicContact CD1-CG2 4.3Å; H1703-V1707 WeakPolarHBondContact O-CB 3.49Å; H1703-V1707 VanDerWaalsContact O-CG2 3.31Å; H1703-V1707 WeakPolarHBondContact O-CG2 3.29Å; V1707-H1709 PolarHBondContact O-N 3.3Å; V1707-A1710 WeakPolarHBondContact O-CB 3.45Å; V1707-A1710 PolarHBondContact O-N 3.37Å
1708	A	34.3	Very low	35.2	Very low	39 Å²	39	91.9 Å²	91.9	32%	0.322	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-74.4	-27.1	-176.3	0	0	0	0	0	113.6	H1704 A1710	H1704-A1708 VanDerWaalsContact O-CB 3.32Å; H1704-A1708 WeakPolarHBondContact O-CB 3.25Å; H1704-A1708 PolarHBondContact O-N 3.19Å; A1708-A1710 VanDerWaalsContact C-N 3.26Å; A1708-A1710 PolarHBondContact O-N 3.1Å
1709	H	35.7	Very low	34.7	Very low	108 Å²	108	93.6 Å²	93.6	50%	0.5	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-84.1	7.9	173.4	-94.3	-55.6	0	0	0	114.5	W1705 V1707 E1711	W1705-H1709 AromaticContact NE1-CD2 3.79Å; V1707-H1709 PolarHBondContact O-N 3.3Å; H1709-E1711 VanDerWaalsContact C-N 3.33Å
1710	A	36.3	Very low	34.4	Very low	67 Å²	67	95.8 Å²	95.8	55%	0.554	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-73	-26.2	165.3	0	0	0	0	0	112.5	V1707 A1708	V1707-A1710 WeakPolarHBondContact O-CB 3.45Å; V1707-A1710 PolarHBondContact O-N 3.37Å; A1708-A1710 VanDerWaalsContact C-N 3.26Å; A1708-A1710 PolarHBondContact O-N 3.1Å
1711	E	32.2	Very low	33.9	Very low	131 Å²	131	104.7 Å²	104.7	61%	0.612	56%	0.555	S	S	*	*	S	Bend	trans	-96.7	-13.8	-172.8	-63.3	-169.5	119.6	0	0	114.2	H1709 T1713 V1714	H1709-E1711 VanDerWaalsContact C-N 3.33Å; E1711-T1713 PolarHBondContact O-N 2.95Å; E1711-V1714 WeakPolarHBondContact O-CG2 3.43Å
1712	V	28.8	Very low	33.6	Very low	101 Å²	101	105.9 Å²	105.9	61%	0.612	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	51.1	-179.7	-163	0	0	0	0	112.8
1713	T	33.9	Very low	33.3	Very low	91 Å²	91	110.8 Å²	110.8	56%	0.558	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-171.5	40.5	142.9	13.9	0	0	0	0	112.3	E1711 D1715 K1716	E1711-T1713 PolarHBondContact O-N 2.95Å; T1713-D1715 PolarHBondContact O-N 3.4Å; T1713-D1715 VanDerWaalsContact O-N 3.17Å; T1713-K1716 HydrophobicContact CG2-CD 4.32Å; T1713-K1716 PolarHBondContact O-N 3.27Å
1714	V	29.6	Very low	33.4	Very low	83 Å²	83	112.6 Å²	112.6	50%	0.503	61%	0.605	S	S	.	*	G	3₁₀ helix	trans	-56.3	-34.7	-178.5	176.7	0	0	0	0	112.3	E1711 K1716 L1717	E1711-V1714 WeakPolarHBondContact O-CG2 3.43Å; V1714-K1716 PolarHBondContact O-N 2.99Å; V1714-K1716 VanDerWaalsContact O-N 3.16Å; V1714-L1717 WeakPolarHBondContact O-CB 3.31Å; V1714-L1717 PolarHBondContact O-N 2.82Å
1715	D	29.8	Very low	33.6	Very low	151 Å²	151	117.1 Å²	117.1	81%	0.807	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-71.2	-3.8	176.2	-62.1	-43.2	0	0	0	115.5	T1713	T1713-D1715 PolarHBondContact O-N 3.4Å; T1713-D1715 VanDerWaalsContact O-N 3.17Å
1716	K	29.9	Very low	33.7	Very low	173 Å²	173	116.4 Å²	116.4	75%	0.752	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-105	7.8	169.7	-71.6	-173.2	177.2	177.8	0	113.3	T1713 V1714 T1718	T1713-K1716 HydrophobicContact CG2-CD 4.32Å; T1713-K1716 PolarHBondContact O-N 3.27Å; V1714-K1716 PolarHBondContact O-N 2.99Å; V1714-K1716 VanDerWaalsContact O-N 3.16Å; K1716-T1718 PolarHBondContact O-N 3.3Å
1717	L	31.9	Very low	33.6	Very low	137 Å²	137	119.1 Å²	119.1	72%	0.717	65%	0.65	S	S	*	*			trans	-88.4	40.4	164.1	-61.6	173	0	0	0	111.2	V1714 A1719	V1714-L1717 WeakPolarHBondContact O-CB 3.31Å; V1714-L1717 PolarHBondContact O-N 2.82Å; L1717-A1719 PolarHBondContact O-N 2.99Å
1718	T	30.1	Very low	33.4	Very low	123 Å²	123	118.3 Å²	118.3	76%	0.755	64%	0.644	S	S	*	*			trans	-68.7	127	177.3	38.4	0	0	0	0	110.7	K1716	K1716-T1718 PolarHBondContact O-N 3.3Å
1719	A	28.6	Very low	33.8	Very low	97 Å²	97	122 Å²	122	80%	0.802	65%	0.65	S	S	*	*			trans	-70.5	142.8	-165.9	0	0	0	0	0	113.9	L1717	L1717-A1719 PolarHBondContact O-N 2.99Å
1720	N	29.2	Very low	34.2	Very low	150 Å²	150	121.5 Å²	121.5	80%	0.802	65%	0.65	S	S	*	*			trans	-113.9	153.9	151.2	-100	-42.7	0	0	0	109.1	S1722	N1720-S1722 PolarHBondContact O-N 2.86Å
1721	R	32.2	Very low	34.5	Very low	224 Å²	224	118.6 Å²	118.6	85%	0.845	63%	0.625	S	S	*	*	S	Bend	trans	-73.6	29.9	-156.3	-149.7	172.9	-177.7	172.9	-1.1	116.2	E1433	E1433-R1721 IonicContact OE1-NH2 2.71Å; E1433-R1721 PolarHBondContact OE1-NH2 2.66Å
1722	S	31.7	Very low	35.2	Very low	96 Å²	96	118.8 Å²	118.8	67%	0.671	63%	0.626	S	S	*	*	S	Bend	trans	-142.4	103.9	-179.2	57.3	0	0	0	0	110.7	N1720 K1724	N1720-S1722 PolarHBondContact O-N 2.86Å; S1722-K1724 PolarHBondContact O-N 2.85Å
1723	N	32.4	Very low	36	Very low	175 Å²	175	120.4 Å²	120.4	94%	0.936	62%	0.621	S	S	*	*			trans	-64	99.6	-175	-85.3	-7.4	0	0	0	113.7
1724	K	40.5	Very low	36.5	Very low	130 Å²	130	116.6 Å²	116.6	57%	0.565	60%	0.598	S	S	*	*			trans	-139.9	123.2	153.4	-83.4	-169.6	169.8	-175.3	0	109.5	T1012 S1013 S1722	T1012-K1724 PolarHBondContact O-NZ 3.02Å; T1012-K1724 VanDerWaalsContact O-NZ 3.16Å; S1013-K1724 PolarHBondContact OG-NZ 3.36Å; S1722-K1724 PolarHBondContact O-N 2.85Å
1725	V	40.2	Very low	37.3	Very low	132 Å²	132	114.7 Å²	114.7	80%	0.8	58%	0.584	S	S	*	*			trans	-68.6	139.5	169.1	177.6	0	0	0	0	108.5	H1727	V1725-H1727 PolarHBondContact O-N 2.81Å
1726	N	39.3	Very low	38.1	Very low	117 Å²	117	113.6 Å²	113.6	63%	0.626	58%	0.575	S	S	*	*			trans	-79.7	67.7	-169.5	-156.9	4	0	0	0	112.9	D1728 Y1729	N1726-D1728 PolarHBondContact O-N 3.05Å; N1726-Y1729 PolarHBondContact O-N 3.13Å; N1726-Y1729 VanDerWaalsContact O-N 3.13Å
1727	H	38.4	Very low	38.7	Very low	109 Å²	109	107.1 Å²	107.1	51%	0.505	55%	0.549	S	S	.	.	H	α-helix	trans	-53.6	-35.4	-175.3	-178.6	-84	0	0	0	113.6	H1051 V1725 Y1729 I1730 C1731	H1051-H1727 AromaticContact CE1-CE1 3.8Å; H1051-H1727 AromaticContact CE1-ND1 3.74Å; V1725-H1727 PolarHBondContact O-N 2.81Å; H1727-Y1729 VanDerWaalsContact C-N 3.31Å; H1727-Y1729 PolarHBondContact O-N 3.2Å; H1727-I1730 PolarHBondContact O-N 3.37Å; H1727-C1731 WeakPolarHBondContact O-CB 3.49Å; H1727-C1731 PolarHBondContact O-N 2.82Å
1728	D	37.2	Very low	39.4	Very low	51 Å²	51	101.7 Å²	101.7	27%	0.273	52%	0.524	S	S	.	.	H	α-helix	trans	-67.3	-28.1	-178.5	-71.8	-22.4	0	0	0	112.6	K1049 H1051 N1726 C1731 E1732	K1049-D1728 IonicContact NZ-OD1 2.86Å; K1049-D1728 PolarHBondContact NZ-OD1 2.86Å; K1049-D1728 IonicContact NZ-OD2 3.51Å; K1049-D1728 PolarHBondContact NZ-OD2 3.04Å; H1051-D1728 IonicContact CE1-OD1 3.51Å; H1051-D1728 PolarHBondContact CE1-OD1 3.06Å; H1051-D1728 VanDerWaalsContact CE1-OD1 3.31Å; N1726-D1728 PolarHBondContact O-N 3.05Å; D1728-C1731 VanDerWaalsContact O-CB 3.23Å; D1728-C1731 WeakPolarHBondContact O-CB 3.29Å; D1728-C1731 PolarHBondContact O-N 3.32Å; D1728-E1732 PolarHBondContact O-N 2.95Å
1729	Y	42.2	Very low	40.2	Very low	117 Å²	117	100.1 Å²	100.1	46%	0.459	51%	0.51	S	S	.	.	H	α-helix	trans	-70.6	-39.8	175.8	-179.3	-100.6	0	0	0	113.2	N1726 H1727 C1731 R1733	N1726-Y1729 PolarHBondContact O-N 3.13Å; N1726-Y1729 VanDerWaalsContact O-N 3.13Å; H1727-Y1729 VanDerWaalsContact C-N 3.31Å; H1727-Y1729 PolarHBondContact O-N 3.2Å; Y1729-C1731 PolarHBondContact O-N 2.83Å; Y1729-R1733 PolarHBondContact OH-NH1 3.38Å; Y1729-R1733 PolarHBondContact OH-NH2 3.01Å
1730	I	44.8	Very low	40.9	Very low	97 Å²	97	100.9 Å²	100.9	50%	0.497	50%	0.5	S	S	.	.	H	α-helix	trans	-64.7	-35.7	171.6	-62.6	176	0	0	0	109.2	H1727 T1734	H1727-I1730 PolarHBondContact O-N 3.37Å; I1730-T1734 PolarHBondContact O-N 3.37Å; I1730-T1734 VanDerWaalsContact O-N 3.16Å; I1730-T1734 PolarHBondContact O-OG1 2.84Å
1731	C	42.2	Very low	41.8	Very low	5 Å²	5	97.1 Å²	97.1	3%	0.034	48%	0.479	C	S	.	.	H	α-helix	trans	-62.5	-62.3	179.4	-165.9	0	0	0	0	112.4	H1051 L1053 H1727 D1728 Y1729 R1733 T1734 E1735	H1051-C1731 PolarHBondContact ND1-SG 3.39Å; L1053-C1731 HydrophobicContact CD1-CB 4.3Å; L1053-C1731 HydrophobicContact CD2-CB 4.37Å; L1053-C1731 WeakPolarHBondContact CD2-O 2.92Å; L1053-C1731 VanDerWaalsContact CD2-SG 3.52Å; H1727-C1731 WeakPolarHBondContact O-CB 3.49Å; H1727-C1731 PolarHBondContact O-N 2.82Å; D1728-C1731 VanDerWaalsContact O-CB 3.23Å; D1728-C1731 WeakPolarHBondContact O-CB 3.29Å; D1728-C1731 PolarHBondContact O-N 3.32Å; Y1729-C1731 PolarHBondContact O-N 2.83Å; C1731-R1733 PolarHBondContact O-N 2.99Å; C1731-T1734 PolarHBondContact O-N 2.85Å; C1731-T1734 PolarHBondContact O-OG1 2.94Å; C1731-E1735 WeakPolarHBondContact O-CG 3.36Å; C1731-E1735 PolarHBondContact O-N 3.43Å; C1731-E1735 PolarHBondContact SG-OE1 3.21Å
1732	E	47.3	Very low	42.3	Very low	135 Å²	135	92 Å²	92	63%	0.631	47%	0.465	S	S	*	.	H	α-helix	trans	-52	-37.8	-176.9	-70.3	-175	131.8	0	0	112.8	D1728 E1735 M1736	D1728-E1732 PolarHBondContact O-N 2.95Å; E1732-E1735 PolarHBondContact O-N 3.16Å; E1732-M1736 WeakPolarHBondContact O-CB 3.37Å; E1732-M1736 WeakPolarHBondContact O-CG 3.36Å; E1732-M1736 PolarHBondContact O-N 2.75Å
1733	R	44.2	Very low	42.9	Very low	135 Å²	135	91.5 Å²	91.5	51%	0.509	45%	0.454	S	S	.	.	H	α-helix	trans	-71.8	-35.1	177.4	-76.4	-172.4	162.6	-168.9	-4.2	114	Y1729 C1731 L1737	Y1729-R1733 PolarHBondContact OH-NH1 3.38Å; Y1729-R1733 PolarHBondContact OH-NH2 3.01Å; C1731-R1733 PolarHBondContact O-N 2.99Å; R1733-L1737 WeakPolarHBondContact O-CB 3.46Å; R1733-L1737 PolarHBondContact O-N 3.38Å
1734	T	45.4	Very low	43.5	Very low	12 Å²	12	85.6 Å²	85.6	7%	0.074	43%	0.43	C	S	.	.	H	α-helix	trans	-80.5	-20.7	175.4	40.3	0	0	0	0	112.9	L1053 F1702 V1706 I1730 C1731 A1738	L1053-T1734 WeakPolarHBondContact CD2-OG1 3.47Å; F1702-T1734 HydrophobicContact CE2-CG2 4.23Å; F1702-T1734 HydrophobicContact CZ-CG2 4.44Å; V1706-T1734 HydrophobicContact CG1-CG2 4.37Å; V1706-T1734 HydrophobicContact CG2-CG2 3.79Å; I1730-T1734 PolarHBondContact O-N 3.37Å; I1730-T1734 VanDerWaalsContact O-N 3.16Å; I1730-T1734 PolarHBondContact O-OG1 2.84Å; C1731-T1734 PolarHBondContact O-N 2.85Å; C1731-T1734 PolarHBondContact O-OG1 2.94Å; T1734-A1738 WeakPolarHBondContact O-CB 3.22Å; T1734-A1738 PolarHBondContact O-N 3.25Å; T1734-A1738 VanDerWaalsContact O-N 3.1Å
1735	E	45	Very low	43.8	Very low	43 Å²	43	84.1 Å²	84.1	20%	0.201	43%	0.428	C	S	.	.	H	α-helix	trans	-70	-49.4	164.3	-61	-168.9	-175.8	0	0	111.9	H1051 S1052 L1053 C1731 E1732 L1737 A1738 I1739	H1051-E1735 VanDerWaalsContact CA-OE1 3.23Å; H1051-E1735 WeakPolarHBondContact CA-OE1 3.28Å; H1051-E1735 PolarHBondContact N-OE1 3.47Å; S1052-E1735 PolarHBondContact N-OE1 3.23Å; L1053-E1735 HydrophobicContact CD2-CG 3.65Å; C1731-E1735 WeakPolarHBondContact O-CG 3.36Å; C1731-E1735 PolarHBondContact O-N 3.43Å; C1731-E1735 PolarHBondContact SG-OE1 3.21Å; E1732-E1735 PolarHBondContact O-N 3.16Å; E1735-L1737 VanDerWaalsContact C-N 3.29Å; E1735-L1737 PolarHBondContact O-N 3.06Å; E1735-A1738 WeakPolarHBondContact O-CB 3.33Å; E1735-A1738 PolarHBondContact O-N 3.23Å; E1735-I1739 WeakPolarHBondContact O-CG1 3.48Å; E1735-I1739 PolarHBondContact O-N 3.37Å
1736	M	47.1	Very low	44.2	Very low	127 Å²	127	82.8 Å²	82.8	63%	0.626	42%	0.415	S	S	*	.	H	α-helix	trans	-54.6	-44.3	173.1	-82.8	-80	-117.7	0	0	112	E1732 A1738 I1739 L1740	E1732-M1736 WeakPolarHBondContact O-CB 3.37Å; E1732-M1736 WeakPolarHBondContact O-CG 3.36Å; E1732-M1736 PolarHBondContact O-N 2.75Å; M1736-A1738 VanDerWaalsContact C-N 3.34Å; M1736-A1738 PolarHBondContact O-N 3.38Å; M1736-I1739 PolarHBondContact O-N 2.94Å; M1736-L1740 WeakPolarHBondContact O-CG 3.32Å; M1736-L1740 PolarHBondContact O-N 3.47Å
1737	L	44	Very low	44.3	Very low	38 Å²	38	80.4 Å²	80.4	20%	0.199	40%	0.402	C	S	.	.	H	α-helix	trans	-64.2	-38.1	176.4	-161.7	75.6	0	0	0	111.9	F1702 W1705 R1733 E1735 L1741	F1702-L1737 HydrophobicContact CD2-CD2 4.12Å; W1705-L1737 HydrophobicContact CE3-CD1 4.33Å; R1733-L1737 WeakPolarHBondContact O-CB 3.46Å; R1733-L1737 PolarHBondContact O-N 3.38Å; E1735-L1737 VanDerWaalsContact C-N 3.29Å; E1735-L1737 PolarHBondContact O-N 3.06Å; L1737-L1741 WeakPolarHBondContact O-CB 3.32Å; L1737-L1741 PolarHBondContact O-N 3.41Å
1738	A	45.2	Very low	44.4	Very low	23 Å²	23	78.4 Å²	78.4	19%	0.19	39%	0.394	C	S	.	.	H	α-helix	trans	-67.7	-37.7	175.8	0	0	0	0	0	112.6	L1054 T1734 E1735 M1736 L1741 H1742	L1054-A1738 HydrophobicContact CD2-CB 4.49Å; T1734-A1738 WeakPolarHBondContact O-CB 3.22Å; T1734-A1738 PolarHBondContact O-N 3.25Å; T1734-A1738 VanDerWaalsContact O-N 3.1Å; E1735-A1738 WeakPolarHBondContact O-CB 3.33Å; E1735-A1738 PolarHBondContact O-N 3.23Å; M1736-A1738 VanDerWaalsContact C-N 3.34Å; M1736-A1738 PolarHBondContact O-N 3.38Å; A1738-L1741 PolarHBondContact O-N 2.71Å; A1738-H1742 WeakPolarHBondContact O-CB 3.38Å; A1738-H1742 PolarHBondContact O-N 2.78Å
1739	I	48.1	Very low	44.7	Very low	90 Å²	90	78.7 Å²	78.7	46%	0.462	40%	0.397	S	S	.	.	H	α-helix	trans	-65.9	-45.2	175	-67.2	163.9	0	0	0	110.6	E1735 M1736 L1741 H1742 N1743	E1735-I1739 WeakPolarHBondContact O-CG1 3.48Å; E1735-I1739 PolarHBondContact O-N 3.37Å; M1736-I1739 PolarHBondContact O-N 2.94Å; I1739-L1741 PolarHBondContact O-N 3.38Å; I1739-H1742 WeakPolarHBondContact O-CB 3.24Å; I1739-H1742 PolarHBondContact O-N 2.72Å; I1739-N1743 VanDerWaalsContact O-CG 3.32Å; I1739-N1743 PolarHBondContact O-N 3.16Å; I1739-N1743 PolarHBondContact O-ND2 3.04Å
1740	L	43.4	Very low	44.7	Very low	112 Å²	112	79.3 Å²	79.3	59%	0.586	40%	0.402	S	S	*	.	H	α-helix	trans	-61.8	-41.8	175	-72.7	168.6	0	0	0	111.9	M1736 H1742 N1743 A1744	M1736-L1740 WeakPolarHBondContact O-CG 3.32Å; M1736-L1740 PolarHBondContact O-N 3.47Å; L1740-H1742 VanDerWaalsContact C-N 3.35Å; L1740-N1743 PolarHBondContact O-N 3Å; L1740-A1744 WeakPolarHBondContact O-CB 3.42Å; L1740-A1744 PolarHBondContact O-N 2.9Å
1741	L	46.4	Very low	44.3	Very low	71 Å²	71	79.7 Å²	79.7	37%	0.372	41%	0.405	S	S	.	.	H	α-helix	trans	-65.1	-37.6	175.2	-156.4	89.7	0	0	0	111.9	L1737 A1738 I1739 A1744 L1745	L1737-L1741 WeakPolarHBondContact O-CB 3.32Å; L1737-L1741 PolarHBondContact O-N 3.41Å; A1738-L1741 PolarHBondContact O-N 2.71Å; I1739-L1741 PolarHBondContact O-N 3.38Å; L1741-A1744 PolarHBondContact O-N 2.91Å; L1741-L1745 HydrophobicContact CD2-CD1 4.44Å; L1741-L1745 HydrophobicContact CG-CD1 4.48Å; L1741-L1745 WeakPolarHBondContact O-CB 3.39Å; L1741-L1745 VanDerWaalsContact O-CG 3.28Å; L1741-L1745 WeakPolarHBondContact O-CG 3.28Å; L1741-L1745 PolarHBondContact O-N 3.21Å
1742	H	42.9	Very low	44.8	Very low	118 Å²	118	82.4 Å²	82.4	55%	0.546	43%	0.434	S	S	.	.	H	α-helix	trans	-64.7	-45.8	176	-170.9	46.6	0	0	0	111.4	A1738 I1739 L1740 A1744 L1745 I1746	A1738-H1742 WeakPolarHBondContact O-CB 3.38Å; A1738-H1742 PolarHBondContact O-N 2.78Å; I1739-H1742 WeakPolarHBondContact O-CB 3.24Å; I1739-H1742 PolarHBondContact O-N 2.72Å; L1740-H1742 VanDerWaalsContact C-N 3.35Å; H1742-A1744 PolarHBondContact O-N 3.47Å; H1742-L1745 PolarHBondContact O-N 2.66Å; H1742-I1746 WeakPolarHBondContact O-CG1 3.41Å; H1742-I1746 PolarHBondContact O-N 3.24Å
1743	N	44.9	Very low	44.2	Very low	84 Å²	84	82.8 Å²	82.8	45%	0.449	44%	0.436	S	S	.	.	H	α-helix	trans	-63.7	-40	176.4	-68.8	-18.5	0	0	0	112.1	I1739 L1740 L1745 I1746 L1747	I1739-N1743 VanDerWaalsContact O-CG 3.32Å; I1739-N1743 PolarHBondContact O-N 3.16Å; I1739-N1743 PolarHBondContact O-ND2 3.04Å; L1740-N1743 PolarHBondContact O-N 3Å; N1743-L1745 VanDerWaalsContact C-N 3.34Å; N1743-L1745 PolarHBondContact O-N 3.31Å; N1743-I1746 PolarHBondContact O-N 3.42Å; N1743-L1747 PolarHBondContact O-N 3.25Å
1744	A	45.7	Very low	43.6	Very low	52 Å²	52	83.6 Å²	83.6	43%	0.43	44%	0.439	S	S	.	.	H	α-helix	trans	-63.2	-38.2	174.1	0	0	0	0	0	112.6	L1740 L1741 H1742 L1747	L1740-A1744 WeakPolarHBondContact O-CB 3.42Å; L1740-A1744 PolarHBondContact O-N 2.9Å; L1741-A1744 PolarHBondContact O-N 2.91Å; H1742-A1744 PolarHBondContact O-N 3.47Å; A1744-L1747 PolarHBondContact O-N 3.36Å
1745	L	45.9	Very low	43.4	Very low	99 Å²	99	90.5 Å²	90.5	52%	0.518	46%	0.464	S	S	.	.	H	α-helix	trans	-71.5	-31.5	175.8	-72.4	166.6	0	0	0	112.9	L1741 H1742 N1743 L1747 M1748	L1741-L1745 HydrophobicContact CD2-CD1 4.44Å; L1741-L1745 HydrophobicContact CG-CD1 4.48Å; L1741-L1745 WeakPolarHBondContact O-CB 3.39Å; L1741-L1745 VanDerWaalsContact O-CG 3.28Å; L1741-L1745 WeakPolarHBondContact O-CG 3.28Å; L1741-L1745 PolarHBondContact O-N 3.21Å; H1742-L1745 PolarHBondContact O-N 2.66Å; N1743-L1745 VanDerWaalsContact C-N 3.34Å; N1743-L1745 PolarHBondContact O-N 3.31Å; L1745-L1747 PolarHBondContact O-N 2.86Å; L1745-M1748 HydrophobicContact CD2-SD 4.06Å; L1745-M1748 PolarHBondContact O-N 3.34Å; L1745-M1748 VanDerWaalsContact O-N 3.13Å
1746	I	49.8	Very low	43.1	Very low	104 Å²	104	92.5 Å²	92.5	53%	0.533	48%	0.476	S	S	.	.	H	α-helix	trans	-64.8	-24.7	173.9	-73.4	164.6	0	0	0	112	H1742 N1743 M1748	H1742-I1746 WeakPolarHBondContact O-CG1 3.41Å; H1742-I1746 PolarHBondContact O-N 3.24Å; N1743-I1746 PolarHBondContact O-N 3.42Å; I1746-M1748 VanDerWaalsContact C-N 3.3Å
1747	L	40.8	Very low	42.4	Very low	66 Å²	66	92.6 Å²	92.6	35%	0.346	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-7	174.8	-65.6	171.9	0	0	0	113.8	N1743 A1744 L1745 L1757 R1758 F1760	N1743-L1747 PolarHBondContact O-N 3.25Å; A1744-L1747 PolarHBondContact O-N 3.36Å; L1745-L1747 PolarHBondContact O-N 2.86Å; L1747-L1757 HydrophobicContact CB-CD2 3.97Å; L1747-L1757 WeakPolarHBondContact O-CA 3.32Å; L1747-R1758 WeakPolarHBondContact O-CB 3.11Å; L1747-R1758 PolarHBondContact O-N 2.89Å; L1747-F1760 HydrophobicContact CD2-CE2 4.05Å; L1747-F1760 HydrophobicContact CD2-CZ 3.97Å
1748	M	39.6	Very low	42.1	Very low	68 Å²	68	98.6 Å²	98.6	34%	0.335	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	108	177.4	-65.2	179.5	64.5	0	0	111.1	L1745 I1746 Y1755 L1757	L1745-M1748 HydrophobicContact CD2-SD 4.06Å; L1745-M1748 PolarHBondContact O-N 3.34Å; L1745-M1748 VanDerWaalsContact O-N 3.13Å; I1746-M1748 VanDerWaalsContact C-N 3.3Å; M1748-Y1755 HydrophobicContact CB-CD1 4.49Å; M1748-Y1755 HydrophobicContact CE-CD1 4.11Å; M1748-Y1755 HydrophobicContact CE-CG 3.92Å; M1748-L1757 HydrophobicContact CG-CD2 4.5Å
1749	V	44.2	Very low	41.5	Very low	56 Å²	56	102.6 Å²	102.6	34%	0.339	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	143	170.6	-179.3	0	0	0	0	108.9	I1756 R1758	V1749-I1756 PolarHBondContact N-O 3.1Å; V1749-I1756 PolarHBondContact O-N 3.35Å; V1749-I1756 VanDerWaalsContact O-O 3.09Å; V1749-R1758 HydrophobicContact CG2-CB 3.96Å; V1749-R1758 HydrophobicContact CG2-CG 3.96Å
1750	K	42	Very low	40.6	Very low	131 Å²	131	106.6 Å²	106.6	57%	0.57	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	119.2	174.4	179.2	-173.9	169.8	-176.6	0	109.3	G1752 Y1755	K1750-G1752 WeakPolarHBondContact CE-O 3.18Å; K1750-Y1755 HydrophobicContact CB-CD1 4.2Å; K1750-Y1755 HydrophobicContact CB-CE1 4.15Å
1751	D	36.1	Very low	39.8	Very low	104 Å²	104	110.9 Å²	110.9	56%	0.556	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-119.3	122.8	167.8	-98.2	-46.3	0	0	0	109.6	E1753 R1754 I1756	D1751-E1753 PolarHBondContact O-N 2.95Å; D1751-R1754 PolarHBondContact N-O 3.44Å; D1751-R1754 VanDerWaalsContact N-O 3.14Å; D1751-R1754 PolarHBondContact O-N 3.24Å; D1751-R1754 VanDerWaalsContact O-N 3.1Å; D1751-I1756 HydrophobicContact CB-CD1 4.06Å; D1751-I1756 HydrophobicContact CB-CG1 4.49Å; D1751-I1756 WeakPolarHBondContact OD2-CD1 3.49Å
1752	G	53.8	Low	39	Very low	62 Å²	62	111.8 Å²	111.8	64%	0.639	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	57	-124	-172.8	0	0	0	0	0	112.5	K1750	K1750-G1752 WeakPolarHBondContact CE-O 3.18Å
1753	E	33.8	Very low	38.3	Very low	143 Å²	143	112.7 Å²	112.7	67%	0.668	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	6.4	176.5	-58.8	-154.6	140.2	0	0	113.9	R1120 D1751	R1120-E1753 IonicContact CZ-OE1 3.16Å; R1120-E1753 IonicContact NH1-OE1 2.81Å; R1120-E1753 PolarHBondContact NH1-OE1 3.43Å; R1120-E1753 IonicContact NH2-OE1 2.68Å; R1120-E1753 PolarHBondContact NH2-OE1 3.44Å; D1751-E1753 PolarHBondContact O-N 2.95Å
1754	R	31.9	Very low	37.6	Very low	153 Å²	153	119 Å²	119	58%	0.577	60%	0.602	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.3	155.2	178.1	-60.5	-175.8	-172	170.6	5.7	110.8	D1674 D1751	D1674-R1754 VanDerWaalsContact CG-NH1 3.33Å; D1674-R1754 IonicContact OD1-CZ 2.7Å; D1674-R1754 IonicContact OD1-NH1 2.72Å; D1674-R1754 PolarHBondContact OD1-NH1 3.37Å; D1674-R1754 IonicContact OD1-NH2 3.2Å; D1674-R1754 PolarHBondContact OD1-NH2 3Å; D1674-R1754 IonicContact OD2-NH1 2.73Å; D1674-R1754 PolarHBondContact OD2-NH1 3Å; D1751-R1754 PolarHBondContact N-O 3.44Å; D1751-R1754 VanDerWaalsContact N-O 3.14Å; D1751-R1754 PolarHBondContact O-N 3.24Å; D1751-R1754 VanDerWaalsContact O-N 3.1Å
1755	Y	40.5	Very low	36.9	Very low	156 Å²	156	125.1 Å²	125.1	61%	0.612	62%	0.622	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104.2	130.5	168.8	-69.8	-92.7	0	0	0	108.6	M1748 K1750	M1748-Y1755 HydrophobicContact CB-CD1 4.49Å; M1748-Y1755 HydrophobicContact CE-CD1 4.11Å; M1748-Y1755 HydrophobicContact CE-CG 3.92Å; K1750-Y1755 HydrophobicContact CB-CD1 4.2Å; K1750-Y1755 HydrophobicContact CB-CE1 4.15Å
1756	I	39.9	Very low	36.2	Very low	86 Å²	86	128.3 Å²	128.3	44%	0.441	63%	0.634	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.7	148.8	178.1	53.6	172.2	0	0	0	110	V1749 D1751	V1749-I1756 PolarHBondContact N-O 3.1Å; V1749-I1756 PolarHBondContact O-N 3.35Å; V1749-I1756 VanDerWaalsContact O-O 3.09Å; D1751-I1756 HydrophobicContact CB-CD1 4.06Å; D1751-I1756 HydrophobicContact CB-CG1 4.49Å; D1751-I1756 WeakPolarHBondContact OD2-CD1 3.49Å
1757	L	32.6	Very low	35.2	Very low	129 Å²	129	127 Å²	127	68%	0.675	65%	0.647	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-72.8	139.2	172.4	-83.4	164.2	0	0	0	109.9	L1747 M1748 S1759	L1747-L1757 HydrophobicContact CB-CD2 3.97Å; L1747-L1757 WeakPolarHBondContact O-CA 3.32Å; M1748-L1757 HydrophobicContact CG-CD2 4.5Å; L1757-S1759 PolarHBondContact O-N 2.94Å
1758	R	37.7	Very low	34.7	Very low	163 Å²	163	127.7 Å²	127.7	62%	0.615	67%	0.669	S	S	*	*			trans	-64.4	104.5	178.9	-162.6	179.7	-154.2	-152.1	6	110.2	L1747 V1749 F1760	L1747-R1758 WeakPolarHBondContact O-CB 3.11Å; L1747-R1758 PolarHBondContact O-N 2.89Å; V1749-R1758 HydrophobicContact CG2-CB 3.96Å; V1749-R1758 HydrophobicContact CG2-CG 3.96Å; R1758-F1760 PolarHBondContact O-N 3.06Å
1759	S	32.3	Very low	34	Very low	107 Å²	107	130.7 Å²	130.7	75%	0.748	70%	0.696	S	S	*	*			trans	-62.6	116.6	173.7	55.6	0	0	0	0	110.5	L1757 K1761	L1757-S1759 PolarHBondContact O-N 2.94Å; S1759-K1761 PolarHBondContact O-N 3.5Å; S1759-K1761 VanDerWaalsContact O-N 3.1Å
1760	F	27.7	Very low	33.3	Very low	175 Å²	175	134.1 Å²	134.1	77%	0.768	72%	0.722	S	S	*	*			trans	-70.3	104.2	172.6	-75.8	-92.1	0	0	0	109.5	L1747 R1758 A1762	L1747-F1760 HydrophobicContact CD2-CE2 4.05Å; L1747-F1760 HydrophobicContact CD2-CZ 3.97Å; R1758-F1760 PolarHBondContact O-N 3.06Å; F1760-A1762 PolarHBondContact O-N 2.94Å
1761	K	28.1	Very low	32.8	Very low	201 Å²	201	131.3 Å²	131.3	87%	0.874	73%	0.731	S	S	*	*			trans	-73.2	96	176.9	-171.6	174.8	-176.8	177.9	0	109.6	S1759 V1763	S1759-K1761 PolarHBondContact O-N 3.5Å; S1759-K1761 VanDerWaalsContact O-N 3.1Å; K1761-V1763 PolarHBondContact O-N 3.47Å
1762	A	28.1	Very low	32.6	Very low	91 Å²	91	131.8 Å²	131.8	75%	0.752	74%	0.742	S	S	*	*			trans	-63	124.5	172.5	0	0	0	0	0	110.1	F1760	F1760-A1762 PolarHBondContact O-N 2.94Å
1763	V	28.6	Very low	31.6	Very low	136 Å²	136	134.7 Å²	134.7	82%	0.824	75%	0.753	S	S	*	*			trans	-82.7	127.9	166.6	178.8	0	0	0	0	107.3	K1761	K1761-V1763 PolarHBondContact O-N 3.47Å
1764	R	31.4	Very low	31.5	Very low	217 Å²	217	130.9 Å²	130.9	82%	0.819	75%	0.752	S	S	*	*			trans	-141.8	103.2	177.4	-174.4	-179.8	-173.6	178.9	2.6	109.8
1765	E	30	Very low	31.4	Very low	181 Å²	181	132.2 Å²	132.2	85%	0.846	77%	0.768	S	S	*	*			trans	-85.1	157.5	164.3	-66.4	-176.9	153.5	0	0	110.2
1766	Q	30.6	Very low	30.6	Very low	165 Å²	165	129.8 Å²	129.8	77%	0.771	77%	0.774	S	S	*	*			trans	-121.8	152.5	169.7	-52.3	177.4	24.4	0	0	105.9
1767	G	29.1	Very low	30	Very low	78 Å²	78	131 Å²	131	80%	0.804	79%	0.791	S	S	*	*			cis	157.7	124.5	0.2	0	0	0	0	0	108.5
1768	G	30.2	Very low	29.9	Very low	80 Å²	80	131 Å²	131	83%	0.825	80%	0.796	S	S	*	*			trans	-138	139	-178.2	0	0	0	0	0	110.5
1769	C	25	Very low	29.5	Very low	131 Å²	131	128.2 Å²	128.2	89%	0.885	80%	0.801	S	S	*	*			trans	-124.8	131.4	-158.8	-58.9	0	0	0	0	114
1770	S	31	Very low	29.5	Very low	127 Å²	127	127.6 Å²	127.6	89%	0.888	80%	0.802	S	S	*	*			trans	-170.5	142.6	145.7	54.4	0	0	0	0	111.2
1771	G	31.3	Very low	29.4	Very low	73 Å²	73	123.2 Å²	123.2	75%	0.753	79%	0.794	S	S	*	*			trans	106.1	90.6	165.7	0	0	0	0	0	117.9
1772	S	30.7	Very low	29.6	Very low	114 Å²	114	120.9 Å²	120.9	80%	0.797	79%	0.791	S	S	*	*			trans	-7.9	138.4	143.3	49.5	0	0	0	0	117.8
1773	S	33.1	Very low	29.6	Very low	123 Å²	123	121.6 Å²	121.6	86%	0.86	79%	0.791	S	S	*	*			cis	-161.5	165.8	9.4	-82.8	0	0	0	0	109.1
1774	G	31.4	Very low	29.4	Very low	63 Å²	63	119.6 Å²	119.6	65%	0.649	78%	0.782	S	S	*	*			cis	166.4	47.6	2.5	0	0	0	0	0	113.9
1775	I	29.9	Very low	29.1	Very low	180 Å²	180	114.7 Å²	114.7	92%	0.923	78%	0.777	S	S	*	*			trans	-125.5	85.6	159.2	-56.9	-178.3	0	0	0	107.1
1776	S	24.8	Very low	28.8	Very low	106 Å²	106	111.9 Å²	111.9	74%	0.741	77%	0.772	S	S	*	*			trans	-145.2	97	-175.7	46.8	0	0	0	0	110.5
1777	S	26.5	Very low	28.6	Very low	112 Å²	112	110.9 Å²	110.9	78%	0.783	77%	0.767	S	S	*	*			trans	-159.1	136.5	176.7	-60.5	0	0	0	0	108.4
1778	T	31.1	Very low	28.4	Very low	128 Å²	128	116.5 Å²	116.5	79%	0.785	76%	0.764	S	S	*	*			cis	-165	152.7	-8.4	19.4	0	0	0	0	106.3
1779	S	29.4	Very low	28	Very low	104 Å²	104	120 Å²	120	73%	0.727	76%	0.763	S	S	*	*			cis	-170.3	-177.9	-8.1	46.6	0	0	0	0	110.1
1780	A	32.1	Very low	28	Very low	94 Å²	94	118.5 Å²	118.5	78%	0.777	75%	0.754	S	S	*	*			trans	77.5	164.2	146.6	0	0	0	0	0	119.1
1781	S	25.3	Very low	27.7	Very low	84 Å²	84	116.6 Å²	116.6	59%	0.587	74%	0.741	S	S	*	*			trans	-155	158.2	-162.7	51.7	0	0	0	0	108.8
1782	N	31.8	Very low	27.4	Very low	151 Å²	151	123 Å²	123	81%	0.807	75%	0.748	S	S	*	*			trans	-164	142.8	135.9	-91.9	-19.4	0	0	0	107.1
1783	S	28.1	Very low	27.2	Very low	107 Å²	107	121.2 Å²	121.2	75%	0.748	75%	0.748	S	S	*	*			cis	78.6	148	48.3	-157.3	0	0	0	0	112.6
1784	S	23.6	Very low	27	Very low	93 Å²	93	121 Å²	121	65%	0.65	75%	0.746	S	S	*	*			trans	-97.7	-161.3	-164.8	53.5	0	0	0	0	112.8
1785	T	25.7	Very low	26.9	Very low	115 Å²	115	123.8 Å²	123.8	71%	0.706	75%	0.753	S	S	*	*			trans	76.5	110.9	158.9	47.9	0	0	0	0	119.7
1786	V	24.4	Very low	26.6	Very low	121 Å²	121	118 Å²	118	73%	0.733	74%	0.737	S	S	*	*				86.9	140.7	120	173.2	0	0	0	0	118.4
1787	E	26.1	Very low	26.6	Very low	144 Å²	144	119.2 Å²	119.2	67%	0.673	74%	0.74	S	S	*	*			trans	64.6	120.7	170.7	-74.8	174.4	164.4	0	0	117
1788	R	24.2	Very low	26.6	Very low	196 Å²	196	120.3 Å²	120.3	74%	0.74	74%	0.743	S	S	*	*			cis	113.2	152.2	32.5	-94.2	-168.7	-178.3	134.2	-12.3	107.4
1789	L	22.6	Very low	26.6	Very low	154 Å²	154	118.2 Å²	118.2	81%	0.806	73%	0.733	S	S	*	*			trans	10	126	136.9	-43.5	171.7	0	0	0	114.3
1790	S	24.4	Very low	26.7	Very low	100 Å²	100	119.4 Å²	119.4	70%	0.699	73%	0.727	S	S	*	*				-174	142.8	50.1	68.4	0	0	0	0	108.7
1791	S	24.5	Very low	26.5	Very low	87 Å²	87	122.3 Å²	122.3	61%	0.608	72%	0.722	S	S	*	*				82.6	153.3	90.4	85.7	0	0	0	0	115.5
1792	F	25	Very low	27	Very low	208 Å²	208	125.6 Å²	125.6	91%	0.912	73%	0.733	S	S	*	*			trans	41.4	113.7	165.7	-59.2	-70.3	0	0	0	119.6
1793	G	27.6	Very low	26.6	Very low	76 Å²	76	128.9 Å²	128.9	78%	0.784	73%	0.734	S	S	*	*			trans	149.4	95.2	156.6	0	0	0	0	0	116.1
1794	S	27.7	Very low	27.1	Very low	117 Å²	117	128.5 Å²	128.5	82%	0.818	73%	0.729	S	S	*	*			trans	-79.8	150	133	-52.1	0	0	0	0	107.1
1795	P	29.5	Very low	27.3	Very low	123 Å²	123	131 Å²	131	80%	0.799	74%	0.735	S	S	*	*				-91.6	177.9	55.5	-15.2	33.5	0	0	0	113.9
1796	G	25	Very low	27.3	Very low	57 Å²	57	130.6 Å²	130.6	59%	0.588	74%	0.737	S	S	*	*			cis	102.2	131	24.3	0	0	0	0	0	109.8
1797	T	24.5	Very low	27.6	Very low	133 Å²	133	128 Å²	128	82%	0.816	74%	0.735	S	S	*	*				45.9	102.3	92.7	63.7	0	0	0	0	110.9
1798	T	26.9	Very low	27.7	Very low	135 Å²	135	128.1 Å²	128.1	83%	0.828	74%	0.74	S	S	*	*				-144.9	170.6	60.6	38.9	0	0	0	0	111.7
1799	S	30	Very low	28.1	Very low	83 Å²	83	125.7 Å²	125.7	58%	0.58	74%	0.74	S	S	*	*	S	Bend	cis	-155	158.6	0.9	-106.3	0	0	0	0	107.2
1800	E	32.5	Very low	28.4	Very low	130 Å²	130	123.4 Å²	123.4	61%	0.607	74%	0.737	S	S	*	*			cis	-154.4	161.2	-10.5	-124.8	163.6	137.3	0	0	110.2
1801	K	26.4	Very low	28.7	Very low	155 Å²	155	121.5 Å²	121.5	67%	0.674	73%	0.733	S	S	*	*			trans	19	142.9	130.4	-64.6	170.3	-154	159.6	0	118.5
1802	D	36.7	Very low	28.9	Very low	152 Å²	152	128.1 Å²	128.1	81%	0.813	75%	0.746	S	S	*	*			cis	-129.4	152.1	35.4	-105.1	-50	0	0	0	119.4
1803	R	23.2	Very low	29	Very low	220 Å²	220	123 Å²	123	83%	0.83	74%	0.736	S	S	*	*			trans	-95.6	-174.7	165.3	-84.5	175.2	162.2	-175.7	-4.3	107.7
1804	P	39.3	Very low	28.9	Very low	100 Å²	100	124.4 Å²	124.4	65%	0.649	73%	0.734	S	S	*	*				-127.3	-137.2	-52.3	37.3	-18.7	0	0	0	107.3
1805	N	27.9	Very low	28.8	Very low	145 Å²	145	126.7 Å²	126.7	78%	0.775	74%	0.736	S	S	*	*			trans	68.2	151.3	164.9	-68.9	-5.3	0	0	0	116.6
1806	S	25.3	Very low	28.5	Very low	107 Å²	107	125.8 Å²	125.8	75%	0.748	73%	0.732	S	S	*	*			cis	-168	139.6	-26.6	50.2	0	0	0	0	109.6
1807	G	30	Very low	28.5	Very low	66 Å²	66	127.6 Å²	127.6	68%	0.68	74%	0.735	S	S	*	*			trans	112.1	146.4	151	0	0	0	0	0	117.7
1808	N	29.3	Very low	28.4	Very low	147 Å²	147	126.9 Å²	126.9	79%	0.786	74%	0.735	S	S	*	*			trans	85.7	111.8	133.6	-69	8.5	0	0	0	121.7
1809	I	31.7	Very low	28.3	Very low	145 Å²	145	125.9 Å²	125.9	74%	0.744	73%	0.733	S	S	*	*				94.2	113.5	126.2	-67.6	169.3	0	0	0	117.7
1810	S	29.5	Very low	28	Very low	105 Å²	105	127 Å²	127	73%	0.734	74%	0.741	S	S	*	*			trans	31.2	144.9	152.7	65.2	0	0	0	0	122.2
1811	G	30.2	Very low	27.6	Very low	60 Å²	60	127.9 Å²	127.9	62%	0.619	75%	0.749	S	S	*	*			cis	136.4	160.3	2.7	0	0	0	0	0	112.4
1812	Y	28.6	Very low	27.6	Very low	227 Å²	227	127.6 Å²	127.6	89%	0.89	75%	0.754	S	S	*	*			trans	62.7	163.3	-178.7	-48.5	-78.9	0	0	0	113.8
1813	S	28.1	Very low	27.1	Very low	99 Å²	99	124.9 Å²	124.9	69%	0.692	75%	0.746	S	S	*	*			cis	-156.8	127.9	-22.3	34.6	0	0	0	0	105.4
1814	S	24.4	Very low	27.2	Very low	106 Å²	106	121.6 Å²	121.6	74%	0.741	74%	0.744	S	S	*	*				60.7	120	85.8	-57.4	0	0	0	0	116
1815	I	25.3	Very low	26.7	Very low	166 Å²	166	123.1 Å²	123.1	85%	0.851	76%	0.755	S	S	*	*			trans	93.1	127.1	144.4	-63	157.2	0	0	0	120.8
1816	S	23.6	Very low	26.7	Very low	104 Å²	104	119.2 Å²	119.2	73%	0.727	75%	0.749	S	S	*	*			trans	79.9	151	150.7	-149.2	0	0	0	0	123.8
1817	S	25.1	Very low	26.9	Very low	94 Å²	94	119 Å²	119	66%	0.657	75%	0.747	S	S	*	*			trans	66.4	129.1	156.8	-57.1	0	0	0	0	117.7
1818	C	22.1	Very low	26.9	Very low	118 Å²	118	122.8 Å²	122.8	80%	0.797	75%	0.752	S	S	*	*			cis	69.7	95.4	48.3	-58.2	0	0	0	0	113.1
1819	S	24.7	Very low	27.1	Very low	115 Å²	115	121 Å²	121	80%	0.804	75%	0.746	S	S	*	*			trans	71.8	118.2	158	-56.4	0	0	0	0	119.8
1820	S	24.4	Very low	27	Very low	105 Å²	105	122.9 Å²	122.9	73%	0.734	75%	0.752	S	S	*	*			trans	84.2	112.8	130.3	-62.3	0	0	0	0	122.6
1821	L	23.6	Very low	26.7	Very low	149 Å²	149	122.2 Å²	122.2	78%	0.78	75%	0.747	S	S	*	*				89	143.4	123.9	-69.5	172.6	0	0	0	122.5
1822	I	26.6	Very low	26.7	Very low	150 Å²	150	127 Å²	127	77%	0.769	75%	0.753	S	S	*	*			trans	70.3	137.7	152.4	-68	157.6	0	0	0	115.9
1823	S	27.1	Very low	26.7	Very low	95 Å²	95	121.5 Å²	121.5	66%	0.664	74%	0.743	S	S	*	*			cis	-143.5	146.6	1.2	16	0	0	0	0	109.3
1824	L	23.7	Very low	26.6	Very low	150 Å²	150	121.9 Å²	121.9	79%	0.785	75%	0.746	S	S	*	*				52.6	134.1	83.2	-70.7	156.6	0	0	0	113.7
1825	P	29.7	Very low	26.6	Very low	133 Å²	133	124.3 Å²	124.3	86%	0.864	75%	0.75	S	S	*	*				-95.8	163	51.5	35.3	-37.8	0	0	0	113.3
1826	G	28.3	Very low	26.6	Very low	63 Å²	63	122 Å²	122	65%	0.649	74%	0.743	S	S	*	*			cis	128.6	136.5	26.6	0	0	0	0	0	106.5
1827	S	29.8	Very low	26.5	Very low	102 Å²	102	122.4 Å²	122.4	71%	0.713	75%	0.746	S	S	*	*			cis	-157	155.5	12.3	55.7	0	0	0	0	111.8
1828	N	29.9	Very low	26.4	Very low	146 Å²	146	121.1 Å²	121.1	78%	0.781	74%	0.741	S	S	*	*			trans	72.6	136.7	159.1	-58.6	-7.7	0	0	0	117.8
1829	T	33.2	Very low	26.5	Very low	110 Å²	110	120.4 Å²	120.4	68%	0.675	74%	0.744	S	S	*	*			cis	-151.5	131.9	-0.2	-0.2	0	0	0	0	113.5
1830	Q	29.8	Very low	26.4	Very low	184 Å²	184	118.8 Å²	118.8	86%	0.86	74%	0.737	S	S	*	*			trans	64	171.1	143.7	-76.7	167	-18.6	0	0	120.2
1831	S	22.9	Very low	26.4	Very low	90 Å²	90	119.5 Å²	119.5	63%	0.629	74%	0.742	S	S	*	*			trans	-151.2	-147.1	-149.4	68.7	0	0	0	0	111.6
1832	H	29.2	Very low	26.5	Very low	161 Å²	161	116.8 Å²	116.8	75%	0.745	74%	0.741	S	S	*	*			trans	75.2	138	177.2	-54	-77.4	0	0	0	116.8
1833	T	28.8	Very low	26.5	Very low	111 Å²	111	114 Å²	114	68%	0.681	74%	0.74	S	S	*	*			cis	-167.1	148.8	-34.5	3.4	0	0	0	0	108.1
1834	S	26.8	Very low	26.4	Very low	108 Å²	108	116.4 Å²	116.4	76%	0.755	75%	0.751	S	S	*	*			trans	65.8	165.2	155.4	84.9	0	0	0	0	117
1835	L	23.8	Very low	26.5	Very low	156 Å²	156	112.9 Å²	112.9	82%	0.817	74%	0.743	S	S	*	*			cis	-160.3	166.6	-24.9	-113.9	173.7	0	0	0	109.2
1836	V	24.7	Very low	26.2	Very low	117 Å²	117	111.4 Å²	111.4	71%	0.709	74%	0.736	S	S	*	*			trans	63.2	100.2	154.3	176.5	0	0	0	0	120
1837	S	22.7	Very low	25.9	Very low	113 Å²	113	115.9 Å²	115.9	79%	0.79	74%	0.742	S	S	*	*				67.8	154.4	124	-56.9	0	0	0	0	124.9
1838	A	23.6	Very low	25.8	Very low	67 Å²	67	115.8 Å²	115.8	55%	0.554	74%	0.737	S	S	*	*			trans	84.5	85.6	147.5	0	0	0	0	0	121.7	L2	L2-A1838 HydrophobicContact CD1-CB 3.63Å
1839	A	22.7	Very low	25.4	Very low	104 Å²	104	115.7 Å²	115.7	86%	0.86	74%	0.737	S	S	*	*				74.4	161.6	121.1	0	0	0	0	0	122.8
1840	A	23.5	Very low	25.2	Very low	81 Å²	81	122.2 Å²	122.2	67%	0.669	75%	0.749	S	S	*	*			trans	80.9	103.9	159.4	0	0	0	0	0	121.4
1841	S	24.9	Very low	25.1	Very low	120 Å²	120	117.7 Å²	117.7	84%	0.839	74%	0.738	S	S	*	*				82.7	132.5	122.7	-60.7	0	0	0	0	123.7
1842	A	25	Very low	25.1	Very low	92 Å²	92	118.7 Å²	118.7	76%	0.76	75%	0.745	S	S	*	*			trans	70.5	87	135.8	0	0	0	0	0	121.9
1843	A	25.4	Very low	25.2	Very low	90 Å²	90	117.1 Å²	117.1	74%	0.744	75%	0.747	S	S	*	*				59.5	147.2	111.2	0	0	0	0	0	123.1
1844	V	25.6	Very low	25.2	Very low	147 Å²	147	116.9 Å²	116.9	89%	0.891	75%	0.75	S	S	*	*			trans	72.6	138.2	170.3	-164.4	0	0	0	0	112.6
1845	A	25.8	Very low	25.2	Very low	75 Å²	75	120.2 Å²	120.2	62%	0.62	76%	0.758	S	S	*	*			cis	-141	140.4	2.2	0	0	0	0	0	107.6
1846	S	23.5	Very low	25.4	Very low	103 Å²	103	116 Å²	116	72%	0.72	75%	0.752	S	S	*	*				92.6	135.6	62.3	83.6	0	0	0	0	114.9
1847	M	23.1	Very low	25.7	Very low	157 Å²	157	116.2 Å²	116.2	77%	0.773	76%	0.759	S	S	*	*			trans	86.7	112.4	160.4	-51.3	-158.2	73.3	0	0	119.4
1848	T	26.2	Very low	25.8	Very low	99 Å²	99	116.7 Å²	116.7	61%	0.607	76%	0.762	S	S	*	*				58.2	144.1	122.8	65.2	0	0	0	0	121.6
1849	D	23	Very low	26	Very low	145 Å²	145	122.6 Å²	122.6	78%	0.775	78%	0.775	S	S	*	*			cis	-164.6	140.3	-14.2	-98.4	-28.7	0	0	0	108.2
1850	R	28.7	Very low	26.2	Very low	246 Å²	246	125.4 Å²	125.4	93%	0.928	78%	0.775	S	S	*	*			trans	-179.8	157.7	171.6	-101.3	170	-170.7	-151.5	1.1	109.6
1851	S	26.4	Very low	26.4	Very low	90 Å²	90	127.3 Å²	127.3	63%	0.629	78%	0.778	S	S	*	*			cis	-178.1	113.6	-38.1	49.6	0	0	0	0	109.1
1852	S	24.6	Very low	26.5	Very low	110 Å²	110	127.5 Å²	127.5	77%	0.769	78%	0.776	S	S	*	*			trans	57.5	147.4	157.9	50.2	0	0	0	0	123.3
1853	T	31	Very low	26.6	Very low	128 Å²	128	130.2 Å²	130.2	79%	0.785	78%	0.776	S	S	*	*			trans	73.8	90	155.2	39.8	0	0	0	0	122.5
1854	S	28.4	Very low	26.4	Very low	107 Å²	107	135 Å²	135	75%	0.748	78%	0.781	S	S	*	*			trans	83	142.3	131.5	74.4	0	0	0	0	122.6
1855	L	27.3	Very low	26.6	Very low	178 Å²	178	133.4 Å²	133.4	93%	0.932	77%	0.773	S	S	*	*			trans	63.7	110.7	162.8	-72.8	150	0	0	0	118.9
1856	G	27.9	Very low	26.7	Very low	66 Å²	66	137.6 Å²	137.6	68%	0.68	79%	0.785	S	S	*	*			trans	135.2	117	157	0	0	0	0	0	116.1
1857	S	29.6	Very low	26.7	Very low	123 Å²	123	139 Å²	139	86%	0.86	78%	0.783	S	S	*	*			trans	67.3	146.8	171.7	78.1	0	0	0	0	117.9
1858	S	25.3	Very low	26.9	Very low	122 Å²	122	138.7 Å²	138.7	85%	0.853	78%	0.784	S	S	*	*			trans	-100.8	138.1	-169.5	38.1	0	0	0	0	113.2
1859	K	29.1	Very low	27	Very low	191 Å²	191	139.9 Å²	139.9	83%	0.83	79%	0.791	S	S	*	*			trans	-132.6	123.7	173.1	-72.5	-179.9	178.9	173	0	110.6
1860	L	25.9	Very low	27.1	Very low	163 Å²	163	141.2 Å²	141.2	85%	0.853	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-81.9	139.7	170.9	-73.3	165.5	0	0	0	110.1
1861	V	28.5	Very low	27	Very low	122 Å²	122	136.2 Å²	136.2	74%	0.739	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-93.8	134.9	179.7	176.2	0	0	0	0	109.9	I1863	V1861-I1863 PolarHBondContact O-N 2.97Å
1862	P	25.3	Very low	27.1	Very low	124 Å²	124	137.6 Å²	137.6	81%	0.805	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-78.4	120.3	179.2	30.7	-33.9	0	0	0	111.9	F1864	P1862-F1864 PolarHBondContact O-N 3.48Å
1863	I	26.9	Very low	27.2	Very low	148 Å²	148	136 Å²	136	76%	0.759	79%	0.785	S	S	*	*			trans	-100	80.2	177.7	-53.7	-179.5	0	0	0	110.3	V1861	V1861-I1863 PolarHBondContact O-N 2.97Å
1864	F	22.3	Very low	26.9	Very low	192 Å²	192	133 Å²	133	84%	0.842	78%	0.779	S	S	*	*			trans	-160.6	101.9	159.2	-88.8	-62.6	0	0	0	111.2	P1862 L1866	P1862-F1864 PolarHBondContact O-N 3.48Å; F1864-L1866 PolarHBondContact O-N 3.47Å
1865	P	30	Very low	26.7	Very low	112 Å²	112	132.6 Å²	132.6	73%	0.727	77%	0.765	S	S	*	*			trans	-82.1	105.1	161.8	-4.1	23	0	0	0	108.9	I1867	P1865-I1867 PolarHBondContact O-N 2.86Å; P1865-I1867 VanDerWaalsContact O-N 3.17Å
1866	L	26.8	Very low	26.7	Very low	164 Å²	164	133.3 Å²	133.3	86%	0.859	76%	0.761	S	S	*	*			trans	-91.2	70.5	-173.2	-145.8	163.6	0	0	0	110.4	F1864	F1864-L1866 PolarHBondContact O-N 3.47Å
1867	I	24.6	Very low	26.9	Very low	133 Å²	133	140.2 Å²	140.2	68%	0.682	77%	0.772	S	S	*	*	S	Bend	trans	-144.6	-37.7	-179.2	-143.9	71.2	0	0	0	116.9	P1865 V1869	P1865-I1867 PolarHBondContact O-N 2.86Å; P1865-I1867 VanDerWaalsContact O-N 3.17Å; I1867-V1869 PolarHBondContact O-N 2.98Å
1868	D	26.7	Very low	26.8	Very low	149 Å²	149	137.8 Å²	137.8	80%	0.797	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	10.7	-164.9	-67.7	-50.2	0	0	0	116.9
1869	V	28.1	Very low	26.8	Very low	124 Å²	124	134.7 Å²	134.7	75%	0.752	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-18	-174.3	-175.3	0	0	0	0	113.5	I1867	I1867-V1869 PolarHBondContact O-N 2.98Å
1870	F	24.8	Very low	26.7	Very low	174 Å²	174	132 Å²	132	76%	0.763	75%	0.749	S	S	*	*	S	Bend	trans	-139.5	133.7	179.7	-71.6	-76.3	0	0	0	113.5
1871	T	27.3	Very low	26.8	Very low	140 Å²	140	132 Å²	132	86%	0.859	75%	0.745	S	S	*	*			trans	84.1	52.2	170.2	69.5	0	0	0	0	119.9
1872	S	29	Very low	26.9	Very low	120 Å²	120	133.2 Å²	133.2	84%	0.839	75%	0.746	S	S	*	*			trans	-120	99	136.9	68.4	0	0	0	0	111.2	G1874	S1872-G1874 PolarHBondContact O-N 3.04Å
1873	C	26	Very low	27.1	Very low	77 Å²	77	132.3 Å²	132.3	52%	0.52	73%	0.734	S	S	.	*			trans	-73.4	120.9	172.2	-65.6	0	0	0	0	109.9
1874	G	24.7	Very low	27.2	Very low	63 Å²	63	131.5 Å²	131.5	65%	0.649	73%	0.731	S	S	*	*			trans	-154.3	15.6	-165.3	0	0	0	0	0	119.4	S1872	S1872-G1874 PolarHBondContact O-N 3.04Å
1875	E	25.2	Very low	27.7	Very low	100 Å²	100	129.1 Å²	129.1	47%	0.467	73%	0.726	S	S	.	*			trans	62.5	162.7	166.8	-49.9	-170.1	105.5	0	0	119.4	L247 F1877	L247-E1875 HydrophobicContact CB-CG 4.46Å; L247-E1875 WeakPolarHBondContact CD1-OE1 3.2Å; L247-E1875 WeakPolarHBondContact CD1-OE2 3.47Å; L247-E1875 WeakPolarHBondContact CD2-OE1 3.45Å; E1875-F1877 PolarHBondContact O-N 3.36Å
1876	K	26.6	Very low	27.7	Very low	192 Å²	192	128.4 Å²	128.4	84%	0.835	72%	0.719	S	S	*	*			trans	46.9	63.6	162.5	-61.4	-175.7	-178.5	-176.8	0	117.3
1877	F	31.3	Very low	27.5	Very low	211 Å²	211	129 Å²	129	93%	0.925	72%	0.715	S	S	*	*			trans	-97.4	139.9	132.1	-92.2	-94.1	0	0	0	108.9	E1875	E1875-F1877 PolarHBondContact O-N 3.36Å
1878	G	27.7	Very low	27.6	Very low	73 Å²	73	130.6 Å²	130.6	75%	0.753	72%	0.721	S	S	*	*			trans	-79.5	179.3	-153.7	0	0	0	0	0	116.3
1879	G	25.9	Very low	27.8	Very low	57 Å²	57	130.5 Å²	130.5	59%	0.588	71%	0.714	S	S	*	*	S	Bend	trans	-70.1	-155.8	161.3	0	0	0	0	0	112	H1881	G1879-H1881 PolarHBondContact O-N 3.35Å
1880	D	27.4	Very low	27.8	Very low	133 Å²	133	133.9 Å²	133.9	71%	0.711	72%	0.721	S	S	*	*	S	Bend	trans	67.4	-0.3	166.2	-43.9	-25.4	0	0	0	117.4
1881	H	28.2	Very low	28	Very low	165 Å²	165	130 Å²	130	76%	0.764	71%	0.712	S	S	*	*	S	Bend	trans	-119.7	-12.8	167	-92.3	36.8	0	0	0	115.5	G1879	G1879-H1881 PolarHBondContact O-N 3.35Å
1882	L	31.2	Very low	28.2	Very low	146 Å²	146	128 Å²	128	76%	0.764	70%	0.699	S	S	*	*	S	Bend	trans	-86.3	-14.8	172.3	-108.1	166.1	0	0	0	113.8
1883	L	28.5	Very low	28.1	Very low	106 Å²	106	129.1 Å²	129.1	56%	0.555	70%	0.695	S	S	*	*	S	Bend	trans	-82.8	-28.6	-178.8	-82.8	161.5	0	0	0	113.9	I1885 V1886	L1883-I1885 PolarHBondContact O-N 2.79Å; L1883-V1886 WeakPolarHBondContact O-CB 3.42Å; L1883-V1886 PolarHBondContact O-N 2.94Å
1884	N	29.4	Very low	28.4	Very low	131 Å²	131	130.6 Å²	130.6	70%	0.701	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-2.6	179.3	-77.7	-13.8	0	0	0	114.4
1885	I	31.7	Very low	28.7	Very low	142 Å²	142	133.2 Å²	133.2	73%	0.728	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-13.6	167.7	-64.3	177.6	0	0	0	111.2	L1883	L1883-I1885 PolarHBondContact O-N 2.79Å
1886	V	29.7	Very low	29.1	Very low	96 Å²	96	135.3 Å²	135.3	58%	0.582	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-22.4	-175.8	-176.4	0	0	0	0	112.9	L1883	L1883-V1886 WeakPolarHBondContact O-CB 3.42Å; L1883-V1886 PolarHBondContact O-N 2.94Å
1887	F	24.4	Very low	29.3	Very low	178 Å²	178	132.6 Å²	132.6	78%	0.781	70%	0.695	S	S	*	*	S	Bend	trans	-121	56.3	-174	-78.1	-79.6	0	0	0	114.4
1888	M	26.3	Very low	29.7	Very low	166 Å²	166	126.8 Å²	126.8	82%	0.818	67%	0.669	S	S	*	*	S	Bend	trans	-135.1	61.8	172.2	-108.2	-66.3	172.9	0	0	113.6
1889	K	30.4	Very low	30.3	Very low	146 Å²	146	129.3 Å²	129.3	64%	0.635	68%	0.676	S	S	*	*			trans	176.1	103.1	140.8	-98.9	170.3	-176.1	-175.9	0	111.8	T1891	K1889-T1891 PolarHBondContact O-N 3.08Å
1890	Q	27.3	Very low	31.5	Very low	195 Å²	195	132.7 Å²	132.7	91%	0.911	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-69.9	-6.8	171.1	-72.2	163.4	-45.7	0	0	113.4	V1892	Q1890-V1892 VanDerWaalsContact C-N 3.29Å; Q1890-V1892 PolarHBondContact O-N 3.34Å
1891	T	30.4	Very low	32.8	Very low	94 Å²	94	131.1 Å²	131.1	58%	0.577	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-74.8	-0.6	-174.4	17.3	0	0	0	0	116.2	K1889	K1889-T1891 PolarHBondContact O-N 3.08Å
1892	V	30.4	Very low	33.9	Very low	96 Å²	96	128.6 Å²	128.6	58%	0.582	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-78.3	-31.1	-179.2	-178.7	0	0	0	0	112.2	Q1890 I1894 R1895	Q1890-V1892 VanDerWaalsContact C-N 3.29Å; Q1890-V1892 PolarHBondContact O-N 3.34Å; V1892-I1894 VanDerWaalsContact C-N 3.33Å; V1892-I1894 PolarHBondContact O-N 3.42Å; V1892-R1895 PolarHBondContact O-N 2.74Å
1893	L	27.1	Very low	35.1	Very low	145 Å²	145	125.6 Å²	125.6	76%	0.759	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-68.9	-24.9	-171.1	-116.8	153.7	0	0	0	114.4
1894	I	31.8	Very low	36	Very low	108 Å²	108	124.4 Å²	124.4	55%	0.554	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-82.9	-15.3	179.9	-62.5	173.2	0	0	0	111.9	V1892 L1896	V1892-I1894 VanDerWaalsContact C-N 3.33Å; V1892-I1894 PolarHBondContact O-N 3.42Å; I1894-L1896 VanDerWaalsContact C-N 3.3Å; I1894-L1896 PolarHBondContact O-N 3.46Å
1895	R	32.2	Very low	37	Very low	118 Å²	118	123.5 Å²	123.5	45%	0.445	62%	0.616	S	S	.	*	G	3₁₀ helix	trans	-84.9	10.2	-172.7	-104.5	178.1	173.2	-170.3	-7.2	115.6	A1127 N1128 V1892	A1127-R1895 PolarHBondContact O-NH1 2.76Å; A1127-R1895 PolarHBondContact O-NH2 3.45Å; N1128-R1895 VanDerWaalsContact O-CZ 3.24Å; N1128-R1895 PolarHBondContact O-NH1 3.29Å; N1128-R1895 PolarHBondContact O-NH2 3.02Å; V1892-R1895 PolarHBondContact O-N 2.74Å
1896	L	33	Very low	38.4	Very low	144 Å²	144	122.5 Å²	122.5	75%	0.754	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-118.1	2	-172.7	-72.5	170.1	0	0	0	115.1	I1894	I1894-L1896 VanDerWaalsContact C-N 3.3Å; I1894-L1896 PolarHBondContact O-N 3.46Å
1897	L	31.4	Very low	38.9	Very low	135 Å²	135	123.7 Å²	123.7	71%	0.707	61%	0.607	S	S	*	*	S	Bend	trans	-126.8	-2.1	-169.1	-73.7	170.1	0	0	0	116.3
1898	F	40	Very low	39.7	Very low	89 Å²	89	118 Å²	118	39%	0.39	59%	0.588	S	S	.	*			trans	-120.5	128	178.5	-64.7	-77.9	0	0	0	111	W1907	F1898-W1907 HydrophobicContact CZ-CD2 4.36Å; F1898-W1907 HydrophobicContact CZ-CG 4.29Å
1899	S	39.5	Very low	41.1	Very low	126 Å²	126	112 Å²	112	88%	0.881	57%	0.565	S	S	*	*			trans	-106	-9.8	-171.3	-58.5	0	0	0	0	114.3
1900	K	52.2	Low	42	Very low	128 Å²	128	109.8 Å²	109.8	56%	0.557	55%	0.554	S	S	*	*	S	Bend	trans	-116.3	148.7	172	-56.2	-170	-155.7	130.7	0	110.5	E1903	K1900-E1903 WeakPolarHBondContact CD-OE1 3.34Å; K1900-E1903 IonicContact NZ-OE1 2.75Å; K1900-E1903 PolarHBondContact NZ-OE1 3.44Å
1901	E	52.8	Low	42.5	Very low	99 Å²	99	104.6 Å²	104.6	46%	0.463	53%	0.531	S	S	.	.	H	α-helix	trans	-81.6	-26.1	-175.2	-165.4	66.1	-134.1	0	0	112.5	R1904 Q1905	E1901-R1904 WeakPolarHBondContact O-CB 3.32Å; E1901-R1904 PolarHBondContact O-N 2.92Å; E1901-R1904 WeakPolarHBondContact OE1-CD 3.17Å; E1901-R1904 IonicContact OE1-CZ 3.02Å; E1901-R1904 IonicContact OE1-NE 3.68Å; E1901-R1904 IonicContact OE1-NH1 3.19Å; E1901-R1904 PolarHBondContact OE1-NH1 3.15Å; E1901-R1904 IonicContact OE2-CZ 2.68Å; E1901-R1904 IonicContact OE2-NH1 2.83Å; E1901-R1904 PolarHBondContact OE2-NH1 2.83Å; E1901-Q1905 WeakPolarHBondContact O-CG 3.44Å; E1901-Q1905 PolarHBondContact O-N 2.76Å
1902	D	52.2	Low	43.1	Very low	113 Å²	113	106.8 Å²	106.8	60%	0.604	54%	0.535	S	S	*	.	H	α-helix	trans	-75.6	-44	-177.5	-46.3	-61.7	0	0	0	112.1	R1904 Q1905 N1906	D1902-R1904 PolarHBondContact O-N 3Å; D1902-Q1905 PolarHBondContact O-N 3.27Å; D1902-Q1905 VanDerWaalsContact O-N 3.1Å; D1902-N1906 PolarHBondContact O-N 2.95Å
1903	E	56	Low	43.7	Very low	83 Å²	83	109.2 Å²	109.2	39%	0.388	54%	0.54	S	S	.	.	H	α-helix	trans	-56.4	-39	170.5	-69.2	162.1	-161.9	0	0	111	K1900 W1907	K1900-E1903 WeakPolarHBondContact CD-OE1 3.34Å; K1900-E1903 IonicContact NZ-OE1 2.75Å; K1900-E1903 PolarHBondContact NZ-OE1 3.44Å; E1903-W1907 WeakPolarHBondContact O-CB 3.5Å; E1903-W1907 PolarHBondContact O-N 3.22Å
1904	R	47.1	Very low	44	Very low	80 Å²	80	106.9 Å²	106.9	30%	0.302	53%	0.528	S	S	.	.	H	α-helix	trans	-68.8	-37.6	176.2	-170.6	-144.8	-148.8	166	21.5	112.3	E1901 D1902 S1908	E1901-R1904 WeakPolarHBondContact O-CB 3.32Å; E1901-R1904 PolarHBondContact O-N 2.92Å; E1901-R1904 WeakPolarHBondContact OE1-CD 3.17Å; E1901-R1904 IonicContact OE1-CZ 3.02Å; E1901-R1904 IonicContact OE1-NE 3.68Å; E1901-R1904 IonicContact OE1-NH1 3.19Å; E1901-R1904 PolarHBondContact OE1-NH1 3.15Å; E1901-R1904 IonicContact OE2-CZ 2.68Å; E1901-R1904 IonicContact OE2-NH1 2.83Å; E1901-R1904 PolarHBondContact OE2-NH1 2.83Å; D1902-R1904 PolarHBondContact O-N 3Å; R1904-S1908 WeakPolarHBondContact O-CB 3.39Å; R1904-S1908 PolarHBondContact O-N 2.95Å
1905	Q	51.1	Low	43.9	Very low	113 Å²	113	105.6 Å²	105.6	53%	0.528	53%	0.529	S	S	.	.	H	α-helix	trans	-68.9	-45.4	174.8	-77.8	-170.4	62.7	0	0	111.3	E1901 D1902 W1907 S1908 A1909	E1901-Q1905 WeakPolarHBondContact O-CG 3.44Å; E1901-Q1905 PolarHBondContact O-N 2.76Å; D1902-Q1905 PolarHBondContact O-N 3.27Å; D1902-Q1905 VanDerWaalsContact O-N 3.1Å; Q1905-W1907 PolarHBondContact O-N 2.87Å; Q1905-S1908 WeakPolarHBondContact CA-OG 3.28Å; Q1905-S1908 CarbonylContact O-C 3.6Å; Q1905-S1908 WeakPolarHBondContact O-CA 3.49Å; Q1905-S1908 PolarHBondContact O-N 3.42Å; Q1905-S1908 PolarHBondContact O-OG 2.84Å; Q1905-A1909 PolarHBondContact O-N 3.37Å
1906	N	60.1	Low	43.8	Very low	121 Å²	121	105.4 Å²	105.4	65%	0.647	54%	0.541	S	S	*	.	H	α-helix	trans	-59.3	-43.8	174.1	-77.3	-7.8	0	0	0	112.1	D1902 S1908 A1909 Y1910	D1902-N1906 PolarHBondContact O-N 2.95Å; N1906-S1908 VanDerWaalsContact C-N 3.32Å; N1906-S1908 PolarHBondContact O-N 2.87Å; N1906-A1909 PolarHBondContact O-N 3.35Å; N1906-Y1910 WeakPolarHBondContact O-CB 3.44Å; N1906-Y1910 PolarHBondContact O-N 3.13Å
1907	W	40.5	Very low	43.6	Very low	121 Å²	121	104.2 Å²	104.2	46%	0.458	54%	0.539	S	S	.	.	H	α-helix	trans	-64.4	-33.1	172.3	-95.3	91.1	0	0	0	113.2	F1898 E1903 Q1905 I1911	F1898-W1907 HydrophobicContact CZ-CD2 4.36Å; F1898-W1907 HydrophobicContact CZ-CG 4.29Å; E1903-W1907 WeakPolarHBondContact O-CB 3.5Å; E1903-W1907 PolarHBondContact O-N 3.22Å; Q1905-W1907 PolarHBondContact O-N 2.87Å; W1907-I1911 HydrophobicContact CE3-CD1 4.05Å; W1907-I1911 HydrophobicContact CE3-CG1 4.32Å; W1907-I1911 WeakPolarHBondContact O-CB 3.43Å; W1907-I1911 WeakPolarHBondContact O-CD1 3.38Å; W1907-I1911 VanDerWaalsContact O-CG1 3.23Å; W1907-I1911 WeakPolarHBondContact O-CG1 3.49Å; W1907-I1911 PolarHBondContact O-N 3.19Å
1908	S	42.3	Very low	43.4	Very low	57 Å²	57	104.3 Å²	104.3	40%	0.399	55%	0.546	S	S	.	.	H	α-helix	trans	-71.5	-36.5	175.8	77.5	0	0	0	0	112.9	R1904 Q1905 N1906 Q1912	R1904-S1908 WeakPolarHBondContact O-CB 3.39Å; R1904-S1908 PolarHBondContact O-N 2.95Å; Q1905-S1908 WeakPolarHBondContact CA-OG 3.28Å; Q1905-S1908 CarbonylContact O-C 3.6Å; Q1905-S1908 WeakPolarHBondContact O-CA 3.49Å; Q1905-S1908 PolarHBondContact O-N 3.42Å; Q1905-S1908 PolarHBondContact O-OG 2.84Å; N1906-S1908 VanDerWaalsContact C-N 3.32Å; N1906-S1908 PolarHBondContact O-N 2.87Å; S1908-Q1912 WeakPolarHBondContact O-CB 3.3Å; S1908-Q1912 WeakPolarHBondContact O-CG 3.46Å; S1908-Q1912 PolarHBondContact O-N 3.47Å
1909	A	55.3	Low	42.8	Very low	40 Å²	40	109.4 Å²	109.4	33%	0.331	57%	0.571	S	S	.	*	H	α-helix	trans	-65.9	-49.6	172.5	0	0	0	0	0	110.4	Q1905 N1906 I1911 Q1912 E1913	Q1905-A1909 PolarHBondContact O-N 3.37Å; N1906-A1909 PolarHBondContact O-N 3.35Å; A1909-I1911 VanDerWaalsContact C-N 3.28Å; A1909-I1911 PolarHBondContact O-N 2.84Å; A1909-Q1912 CarbonylContact O-C 2.73Å; A1909-Q1912 WeakPolarHBondContact O-CA 3.45Å; A1909-Q1912 WeakPolarHBondContact O-CB 3.17Å; A1909-Q1912 PolarHBondContact O-N 3.23Å; A1909-E1913 WeakPolarHBondContact O-CG 3.36Å; A1909-E1913 PolarHBondContact O-N 3.06Å
1910	Y	48.6	Very low	42.4	Very low	100 Å²	100	107.4 Å²	107.4	39%	0.392	56%	0.557	S	S	.	*	H	α-helix	trans	-58	-37.4	176.7	-171.2	-103.4	0	0	0	112.8	N1906 N1914 F2024	N1906-Y1910 WeakPolarHBondContact O-CB 3.44Å; N1906-Y1910 PolarHBondContact O-N 3.13Å; Y1910-N1914 WeakPolarHBondContact CE2-ND2 3.48Å; Y1910-N1914 WeakPolarHBondContact O-CB 3.31Å; Y1910-N1914 PolarHBondContact O-N 3.43Å; Y1910-N1914 VanDerWaalsContact O-N 3.12Å; Y1910-N1914 PolarHBondContact O-ND2 2.93Å; Y1910-F2024 HydrophobicContact CE1-CE2 4.44Å; Y1910-F2024 WeakPolarHBondContact OH-CE2 3.5Å
1911	I	38.8	Very low	41.3	Very low	86 Å²	86	109.7 Å²	109.7	44%	0.441	57%	0.573	S	S	.	*	H	α-helix	trans	-72.2	-32.3	173.6	-72.4	169	0	0	0	112	W1907 A1909 S1915	W1907-I1911 HydrophobicContact CE3-CD1 4.05Å; W1907-I1911 HydrophobicContact CE3-CG1 4.32Å; W1907-I1911 WeakPolarHBondContact O-CB 3.43Å; W1907-I1911 WeakPolarHBondContact O-CD1 3.38Å; W1907-I1911 VanDerWaalsContact O-CG1 3.23Å; W1907-I1911 WeakPolarHBondContact O-CG1 3.49Å; W1907-I1911 PolarHBondContact O-N 3.19Å; A1909-I1911 VanDerWaalsContact C-N 3.28Å; A1909-I1911 PolarHBondContact O-N 2.84Å; I1911-S1915 WeakPolarHBondContact O-CB 3.06Å; I1911-S1915 PolarHBondContact O-N 3.37Å
1912	Q	42.3	Very low	40.2	Very low	140 Å²	140	110.1 Å²	110.1	65%	0.654	58%	0.579	S	S	*	*	H	α-helix	trans	-71.4	-46.7	174.8	-78.5	-179	-20.8	0	0	111.8	S1908 A1909 N1914 S1915	S1908-Q1912 WeakPolarHBondContact O-CB 3.3Å; S1908-Q1912 WeakPolarHBondContact O-CG 3.46Å; S1908-Q1912 PolarHBondContact O-N 3.47Å; A1909-Q1912 CarbonylContact O-C 2.73Å; A1909-Q1912 WeakPolarHBondContact O-CA 3.45Å; A1909-Q1912 WeakPolarHBondContact O-CB 3.17Å; A1909-Q1912 PolarHBondContact O-N 3.23Å; Q1912-N1914 PolarHBondContact O-N 3.18Å; Q1912-S1915 WeakPolarHBondContact O-CB 3.4Å; Q1912-S1915 PolarHBondContact O-N 3.44Å; Q1912-S1915 VanDerWaalsContact O-N 3.16Å; Q1912-S1915 PolarHBondContact O-OG 3.5Å
1913	E	42.5	Very low	39.1	Very low	148 Å²	148	115.3 Å²	115.3	69%	0.692	59%	0.59	S	S	*	*	H	α-helix	trans	-61.5	-44.5	178	-68.7	178.1	134.8	0	0	111.7	A1909 S1915	A1909-E1913 WeakPolarHBondContact O-CG 3.36Å; A1909-E1913 PolarHBondContact O-N 3.06Å; E1913-S1915 PolarHBondContact O-N 3.46Å
1914	N	33.7	Very low	37.7	Very low	95 Å²	95	118.6 Å²	118.6	51%	0.508	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.4	3.9	177.8	-69.8	-75.7	0	0	0	114.6	Y1910 Q1912	Y1910-N1914 WeakPolarHBondContact CE2-ND2 3.48Å; Y1910-N1914 WeakPolarHBondContact O-CB 3.31Å; Y1910-N1914 PolarHBondContact O-N 3.43Å; Y1910-N1914 VanDerWaalsContact O-N 3.12Å; Y1910-N1914 PolarHBondContact O-ND2 2.93Å; Q1912-N1914 PolarHBondContact O-N 3.18Å
1915	S	30.8	Very low	36.9	Very low	82 Å²	82	124 Å²	124	57%	0.573	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-2	177.9	71.6	0	0	0	0	114.7	I1911 Q1912 E1913	I1911-S1915 WeakPolarHBondContact O-CB 3.06Å; I1911-S1915 PolarHBondContact O-N 3.37Å; Q1912-S1915 WeakPolarHBondContact O-CB 3.4Å; Q1912-S1915 PolarHBondContact O-N 3.44Å; Q1912-S1915 VanDerWaalsContact O-N 3.16Å; Q1912-S1915 PolarHBondContact O-OG 3.5Å; E1913-S1915 PolarHBondContact O-N 3.46Å
1916	V	29.5	Very low	35.7	Very low	114 Å²	114	124.6 Å²	124.6	69%	0.691	64%	0.637	S	S	*	*	S	Bend	trans	-112.9	15.3	-163.9	-160.2	0	0	0	0	114.1
1917	T	28.3	Very low	34.2	Very low	118 Å²	118	125.3 Å²	125.3	72%	0.724	64%	0.64	S	S	*	*			trans	-137.9	57.7	179.1	50.4	0	0	0	0	115.5
1918	T	27.1	Very low	33.6	Very low	138 Å²	138	128 Å²	128	85%	0.847	66%	0.655	S	S	*	*			trans	-137.9	63.3	159.3	42.5	0	0	0	0	113.1
1919	Q	27.4	Very low	33.3	Very low	195 Å²	195	130.5 Å²	130.5	91%	0.911	67%	0.67	S	S	*	*			trans	-138.2	99.1	163.7	-74.2	-168.2	1.5	0	0	112.2
1920	S	31.8	Very low	32.1	Very low	84 Å²	84	134.1 Å²	134.1	59%	0.587	69%	0.693	S	S	*	*				-174.1	132.2	126.7	-164	0	0	0	0	111.5	D1922	S1920-D1922 PolarHBondContact OG-OD2 2.92Å
1921	I	29.8	Very low	31	Very low	176 Å²	176	133.4 Å²	133.4	90%	0.903	71%	0.707	S	S	*	*			trans	-129.1	127.3	136.5	-68.8	-174.1	0	0	0	105.7
1922	D	28.5	Very low	30.4	Very low	108 Å²	108	135.2 Å²	135.2	58%	0.578	73%	0.728	S	S	*	*			trans	-77.4	134.8	-161.4	-86.2	-94	0	0	0	114.6	S1920	S1920-D1922 PolarHBondContact OG-OD2 2.92Å
1923	R	28.5	Very low	29.7	Very low	222 Å²	222	132.3 Å²	132.3	84%	0.838	73%	0.727	S	S	*	*				56.3	113.5	85.3	-77.3	174.8	154.7	178.1	1.9	116.7
1924	Q	27.7	Very low	28.9	Very low	152 Å²	152	129.5 Å²	129.5	71%	0.71	73%	0.73	S	S	*	*			trans	-151.5	146.2	147.7	-71.5	-160	22.4	0	0	108.5
1925	R	29.5	Very low	28.7	Very low	195 Å²	195	129.8 Å²	129.8	74%	0.736	75%	0.745	S	S	*	*			cis	-149.6	143.6	-13.5	-98.4	165.4	-176.8	168.8	7.2	106.8
1926	V	26.7	Very low	28.5	Very low	124 Å²	124	130 Å²	130	75%	0.752	75%	0.752	S	S	*	*			cis	81.9	127.5	44.3	164.4	0	0	0	0	111.3
1927	L	27.7	Very low	28.4	Very low	136 Å²	136	128.6 Å²	128.6	71%	0.712	75%	0.747	S	S	*	*			cis	-173.9	-173.6	-0.3	-118.9	-173.5	0	0	0	112.2
1928	K	28.2	Very low	28.7	Very low	177 Å²	177	127 Å²	127	77%	0.77	74%	0.741	S	S	*	*			trans	84.3	162.2	139.2	-88.1	162.2	175.3	-172.3	0	119.2
1929	P	37.4	Very low	28.5	Very low	111 Å²	111	125.1 Å²	125.1	72%	0.721	73%	0.733	S	S	*	*				-146.1	160.1	-51.3	37.5	-18.8	0	0	0	117.1
1930	S	30.1	Very low	29.1	Very low	115 Å²	115	122.3 Å²	122.3	80%	0.804	73%	0.732	S	S	*	*			trans	-160.7	130.6	146.6	-68.7	0	0	0	0	106.8
1931	A	23.9	Very low	28.5	Very low	85 Å²	85	122.9 Å²	122.9	70%	0.702	74%	0.736	S	S	*	*			cis	88.6	117.9	38.1	0	0	0	0	0	112.1
1932	S	25.8	Very low	28.2	Very low	125 Å²	125	119.5 Å²	119.5	87%	0.874	73%	0.728	S	S	*	*			trans	57.8	164.9	-156.3	80.8	0	0	0	0	112.5
1933	A	28.4	Very low	28	Very low	78 Å²	78	119 Å²	119	65%	0.645	73%	0.733	S	S	*	*			cis	-129.2	164.2	-6.3	0	0	0	0	0	106.6
1934	A	26.9	Very low	28.1	Very low	89 Å²	89	113.9 Å²	113.9	74%	0.736	73%	0.727	S	S	*	*			cis	52.1	142.2	48.9	0	0	0	0	0	112.7
1935	A	27.9	Very low	27.9	Very low	101 Å²	101	115.3 Å²	115.3	84%	0.835	73%	0.733	S	S	*	*			trans	59.6	161.6	-159	0	0	0	0	0	110.2
1936	A	26.8	Very low	27.9	Very low	87 Å²	87	111.6 Å²	111.6	72%	0.719	73%	0.728	S	S	*	*			cis	174.8	156	-3.7	0	0	0	0	0	103.6
1937	S	27.7	Very low	27.7	Very low	85 Å²	85	111.8 Å²	111.8	59%	0.594	72%	0.715	S	S	*	*			cis	-173.1	-151.8	-10.6	52.1	0	0	0	0	106.6	S1939	S1937-S1939 PolarHBondContact O-N 2.67Å; S1937-S1939 PolarHBondContact O-OG 3.17Å
1938	S	34.8	Very low	27.7	Very low	85 Å²	85	108.8 Å²	108.8	59%	0.594	70%	0.704	S	S	*	*			trans	42.9	78.2	149.1	45.8	0	0	0	0	115.9
1939	S	23.5	Very low	27.6	Very low	97 Å²	97	104 Å²	104	68%	0.678	69%	0.69	S	S	*	*	S	Bend	cis	57.4	166.2	18.2	-40	0	0	0	0	112.5	S1937 S1941	S1937-S1939 PolarHBondContact O-N 2.67Å; S1937-S1939 PolarHBondContact O-OG 3.17Å; S1939-S1941 PolarHBondContact O-N 3.49Å
1940	P	39.5	Very low	27.3	Very low	136 Å²	136	105 Å²	105	88%	0.883	69%	0.687	S	S	*	*	S	Bend	trans	-106.4	69.2	-145.2	34.3	-24.4	0	0	0	112.5
1941	S	20	Very low	27.5	Very low	97 Å²	97	100.7 Å²	100.7	68%	0.678	66%	0.661	S	S	*	*			trans	-136.9	133.5	-179.6	52.1	0	0	0	0	110.3	S1939	S1939-S1941 PolarHBondContact O-N 3.49Å
1942	S	23.4	Very low	28.1	Very low	105 Å²	105	101.9 Å²	101.9	73%	0.734	66%	0.655	S	S	*	*			cis	-131.1	143.6	20.7	52.7	0	0	0	0	110.3
1943	S	24.2	Very low	28.2	Very low	98 Å²	98	99.3 Å²	99.3	69%	0.685	63%	0.634	S	S	*	*				55.8	77.6	51.3	82.7	0	0	0	0	112.4	Q1945	S1943-Q1945 PolarHBondContact O-N 3.4Å
1944	T	29.4	Very low	28.1	Very low	114 Å²	114	98.2 Å²	98.2	70%	0.699	62%	0.621	S	S	*	*			trans	-51.2	113.6	170	48.4	0	0	0	0	110.5	N1946	T1944-N1946 WeakPolarHBondContact O-CA 3.42Å
1945	Q	24.1	Very low	28.2	Very low	182 Å²	182	101.2 Å²	101.2	85%	0.85	62%	0.62	S	S	*	*	S	Bend	trans	-86.1	109	147.5	-76.6	-161.5	4.2	0	0	107.3	S1943	S1943-Q1945 PolarHBondContact O-N 3.4Å
1946	N	29	Very low	28.5	Very low	117 Å²	117	101.8 Å²	101.8	63%	0.626	62%	0.618	S	S	*	*			cis	-135.9	168.8	-8.9	-89.7	-56.1	0	0	0	110.7	T1944 P1948	T1944-N1946 WeakPolarHBondContact O-CA 3.42Å; N1946-P1948 WeakPolarHBondContact O-CD 3.09Å
1947	R	23	Very low	28.6	Very low	128 Å²	128	103.5 Å²	103.5	48%	0.483	61%	0.614	S	S	.	*			trans	-72.7	90.2	168.5	-168.2	-168.1	147.4	-175.4	-12.4	108	G1963 N1964	R1947-G1963 VanDerWaalsContact CG-N 3.32Å; R1947-G1963 PolarHBondContact NE-O 3.12Å; R1947-G1963 PolarHBondContact NH2-O 3.4Å; R1947-N1964 VanDerWaalsContact CZ-C 3.45Å; R1947-N1964 PolarHBondContact NE-O 3.2Å; R1947-N1964 PolarHBondContact NH1-O 3.24Å; R1947-N1964 PolarHBondContact NH2-O 3.27Å; R1947-N1964 WeakPolarHBondContact O-CA 3.46Å; R1947-N1964 PolarHBondContact O-N 3.13Å; R1947-N1964 PolarHBondContact O-OD1 3.41Å
1948	P	27.1	Very low	28.5	Very low	72 Å²	72	103.9 Å²	103.9	47%	0.468	61%	0.609	S	S	.	*			trans	-149.7	155.9	139.9	37.6	-21.2	0	0	0	116.6	N1946 S1962 G1963	N1946-P1948 WeakPolarHBondContact O-CD 3.09Å; P1948-S1962 WeakPolarHBondContact O-CB 3.14Å; P1948-S1962 PolarHBondContact O-OG 3.36Å; P1948-G1963 VanDerWaalsContact CA-N 3.32Å
1949	T	27.6	Very low	28	Very low	77 Å²	77	103.6 Å²	103.6	47%	0.472	61%	0.607	S	S	.	*			cis	-158.5	158.6	-38.8	-35.3	0	0	0	0	109.1	T1961 S1962 G1963	T1949-T1961 CarbonylContact C-O 2.72Å; T1949-T1961 WeakPolarHBondContact CA-O 3.43Å; T1949-S1962 PolarHBondContact N-OG 2.82Å; T1949-G1963 WeakPolarHBondContact OG1-CA 3.36Å
1950	I	29.7	Very low	28.1	Very low	131 Å²	131	105.3 Å²	105.3	67%	0.672	60%	0.602	S	S	*	*			trans	62.8	135.6	166.2	-38.8	-173.5	0	0	0	115.8	T1961	I1950-T1961 PolarHBondContact N-O 2.78Å; I1950-T1961 PolarHBondContact O-OG1 3.37Å
1951	G	35.4	Very low	27.4	Very low	25 Å²	25	102.4 Å²	102.4	26%	0.258	58%	0.582	S	S	.	*			trans	-163.3	-4.1	173.6	0	0	0	0	0	118.3	K1960 T1961	G1951-K1960 WeakPolarHBondContact O-CD 3.45Å; G1951-K1960 PolarHBondContact O-NZ 3.19Å; G1951-T1961 VanDerWaalsContact CA-OG1 3.28Å; G1951-T1961 WeakPolarHBondContact CA-OG1 3.16Å; G1951-T1961 PolarHBondContact N-OG1 2.88Å
1952	I	35.4	Very low	27.7	Very low	110 Å²	110	101.1 Å²	101.1	56%	0.564	57%	0.573	S	S	*	*			trans	68.6	105.8	171.5	-63	150.7	0	0	0	111.2	S1959 K1960	I1952-S1959 CarbonylContact C-O 3.35Å; I1952-S1959 VanDerWaalsContact C-O 3.23Å; I1952-S1959 VanDerWaalsContact O-O 3.11Å; I1952-K1960 WeakPolarHBondContact O-CD 3.06Å; I1952-K1960 PolarHBondContact O-NZ 3.5Å
1953	T	28.8	Very low	27.7	Very low	72 Å²	72	96.8 Å²	96.8	44%	0.442	55%	0.545	S	S	.	.				45.3	173.9	71.5	82.9	0	0	0	0	112.2	L1957 S1959	T1953-L1957 WeakPolarHBondContact CA-O 3.2Å; T1953-S1959 PolarHBondContact N-O 3Å
1954	S	26	Very low	27.8	Very low	54 Å²	54	97 Å²	97	38%	0.378	54%	0.538	S	S	.	.			cis	-130.9	133.6	-45.1	28.2	0	0	0	0	108.3	L1957	S1954-L1957 WeakPolarHBondContact CA-O 3.19Å; S1954-L1957 WeakPolarHBondContact CB-O 3.35Å
1955	E	28	Very low	27.9	Very low	153 Å²	153	97.1 Å²	97.1	72%	0.715	54%	0.539	S	S	*	.	S	Bend	trans	166.2	108.3	148.1	-109.2	69.5	-80.4	0	0	108.1
1956	S	35.4	Very low	28.1	Very low	113 Å²	113	93.3 Å²	93.3	79%	0.79	53%	0.53	S	S	*	.	S	Bend	cis	-93.7	106.6	-25.4	151.5	0	0	0	0	116.1
1957	L	29.4	Very low	28.1	Very low	122 Å²	122	93.8 Å²	93.8	64%	0.639	54%	0.537	S	S	*	.			cis	-109.2	20.3	-24.5	-67.5	88.1	0	0	0	111.2	T1953 S1954	T1953-L1957 WeakPolarHBondContact CA-O 3.2Å; S1954-L1957 WeakPolarHBondContact CA-O 3.19Å; S1954-L1957 WeakPolarHBondContact CB-O 3.35Å
1958	I	25.8	Very low	28.5	Very low	93 Å²	93	91.8 Å²	91.8	48%	0.477	55%	0.548	S	S	.	.			trans	59.1	153.6	169.9	-56.5	172	0	0	0	116.9
1959	S	24.4	Very low	28.5	Very low	79 Å²	79	96 Å²	96	55%	0.552	57%	0.567	S	S	*	*			trans	-83.5	163.8	-179.5	51.1	0	0	0	0	114.9	I1952 T1953	I1952-S1959 CarbonylContact C-O 3.35Å; I1952-S1959 VanDerWaalsContact C-O 3.23Å; I1952-S1959 VanDerWaalsContact O-O 3.11Å; T1953-S1959 PolarHBondContact N-O 3Å
1960	K	25.1	Very low	28.7	Very low	133 Å²	133	101.1 Å²	101.1	58%	0.578	59%	0.585	S	S	*	*				163.6	152.4	117.7	-82.2	152.4	-164.3	155.7	0	114.5	G1951 I1952	G1951-K1960 WeakPolarHBondContact O-CD 3.45Å; G1951-K1960 PolarHBondContact O-NZ 3.19Å; I1952-K1960 WeakPolarHBondContact O-CD 3.06Å; I1952-K1960 PolarHBondContact O-NZ 3.5Å
1961	T	25.2	Very low	28.7	Very low	75 Å²	75	100.7 Å²	100.7	46%	0.46	59%	0.589	S	S	.	*			trans	50	99.2	155.7	35.4	0	0	0	0	120.4	T1949 I1950 G1951	T1949-T1961 CarbonylContact C-O 2.72Å; T1949-T1961 WeakPolarHBondContact CA-O 3.43Å; I1950-T1961 PolarHBondContact N-O 2.78Å; I1950-T1961 PolarHBondContact O-OG1 3.37Å; G1951-T1961 VanDerWaalsContact CA-OG1 3.28Å; G1951-T1961 WeakPolarHBondContact CA-OG1 3.16Å; G1951-T1961 PolarHBondContact N-OG1 2.88Å
1962	S	24.8	Very low	28.1	Very low	71 Å²	71	104.6 Å²	104.6	50%	0.497	61%	0.612	S	S	.	*			trans	53.2	-169.9	138.8	37.6	0	0	0	0	117.4	P1948 T1949	P1948-S1962 WeakPolarHBondContact O-CB 3.14Å; P1948-S1962 PolarHBondContact O-OG 3.36Å; T1949-S1962 PolarHBondContact N-OG 2.82Å
1963	G	24.5	Very low	27.7	Very low	13 Å²	13	105.5 Å²	105.5	13%	0.134	62%	0.623	C	S	.	*			trans	132.1	72.7	172.1	0	0	0	0	0	123.5	R1947 P1948 T1949	R1947-G1963 VanDerWaalsContact CG-N 3.32Å; R1947-G1963 PolarHBondContact NE-O 3.12Å; R1947-G1963 PolarHBondContact NH2-O 3.4Å; P1948-G1963 VanDerWaalsContact CA-N 3.32Å; T1949-G1963 WeakPolarHBondContact OG1-CA 3.36Å
1964	N	26.5	Very low	27.7	Very low	103 Å²	103	109 Å²	109	55%	0.551	64%	0.637	S	S	*	*			trans	39.1	132.8	169.8	-76.1	-3	0	0	0	121.6	R1947	R1947-N1964 VanDerWaalsContact CZ-C 3.45Å; R1947-N1964 PolarHBondContact NE-O 3.2Å; R1947-N1964 PolarHBondContact NH1-O 3.24Å; R1947-N1964 PolarHBondContact NH2-O 3.27Å; R1947-N1964 WeakPolarHBondContact O-CA 3.46Å; R1947-N1964 PolarHBondContact O-N 3.13Å; R1947-N1964 PolarHBondContact O-OD1 3.41Å
1965	T	30.1	Very low	27.9	Very low	117 Å²	117	112.6 Å²	112.6	72%	0.718	66%	0.657	S	S	*	*			trans	-50.4	146.7	155.8	44.6	0	0	0	0	110.9
1966	P	29.6	Very low	27.9	Very low	101 Å²	101	111.5 Å²	111.5	66%	0.656	66%	0.663	S	S	*	*			cis	-148.1	-166.3	42.8	37.7	-13.9	0	0	0	116.8
1967	T	28.4	Very low	27.4	Very low	127 Å²	127	113.5 Å²	113.5	78%	0.779	66%	0.66	S	S	*	*			trans	51.4	118.3	149.2	47.1	0	0	0	0	124.4
1968	A	30.8	Very low	27.2	Very low	87 Å²	87	113.7 Å²	113.7	72%	0.719	67%	0.668	S	S	*	*				60.9	102.9	125.2	0	0	0	0	0	123.1
1969	D	28.2	Very low	27	Very low	159 Å²	159	112.6 Å²	112.6	85%	0.85	67%	0.669	S	S	*	*				43.4	118.7	121.5	-48.2	-17.2	0	0	0	122.9
1970	E	31	Very low	27.2	Very low	185 Å²	185	115 Å²	115	86%	0.864	68%	0.681	S	S	*	*				-157.7	125.2	110.6	-104.5	-153.8	138.3	0	0	114.7
1971	V	30.5	Very low	27.2	Very low	123 Å²	123	116.2 Å²	116.2	75%	0.745	69%	0.688	S	S	*	*			trans	37.4	102.6	135.3	-172.3	0	0	0	0	120.9
1972	S	22.8	Very low	27.2	Very low	106 Å²	106	118.5 Å²	118.5	74%	0.741	70%	0.698	S	S	*	*				174.5	142	99.4	49.6	0	0	0	0	114.3
1973	V	26.6	Very low	27.2	Very low	130 Å²	130	123.3 Å²	123.3	79%	0.788	72%	0.717	S	S	*	*	S	Bend	trans	65.3	129.9	164.7	179.5	0	0	0	0	118.5
1974	I	29.7	Very low	27.4	Very low	146 Å²	146	131.3 Å²	131.3	75%	0.749	75%	0.748	S	S	*	*	S	Bend	trans	68	100.4	170.9	-65.6	160.7	0	0	0	116.8
1975	T	29.5	Very low	27.5	Very low	128 Å²	128	131.8 Å²	131.8	79%	0.785	76%	0.755	S	S	*	*			trans	52.6	119.4	161.4	52.7	0	0	0	0	118.1
1976	P	28.2	Very low	27	Very low	131 Å²	131	130.5 Å²	130.5	85%	0.851	75%	0.751	S	S	*	*				-144.4	-171.7	90	39	-24	0	0	0	115.2
1977	Q	25.3	Very low	26.7	Very low	154 Å²	154	134.9 Å²	134.9	72%	0.72	76%	0.76	S	S	*	*			trans	-66.1	163.7	159.6	-130.5	-163.7	3.5	0	0	110.3
1978	P	23.9	Very low	26.6	Very low	126 Å²	126	132.4 Å²	132.4	82%	0.818	76%	0.76	S	S	*	*				-141.9	168.9	67.3	39.6	-23.1	0	0	0	116.1
1979	S	22.3	Very low	26.7	Very low	71 Å²	71	136.7 Å²	136.7	50%	0.497	76%	0.762	S	S	.	*			trans	-118	130.4	166.2	53.1	0	0	0	0	109.6
1980	T	28.2	Very low	26.5	Very low	130 Å²	130	136.8 Å²	136.8	80%	0.798	76%	0.762	S	S	*	*			trans	59	142.1	160.8	55.6	0	0	0	0	116.9
1981	Q	25.7	Very low	26.2	Very low	157 Å²	157	131.8 Å²	131.8	73%	0.734	75%	0.745	S	S	*	*			cis	-165.5	167.6	36.7	-143.2	177.1	-41.2	0	0	111
1982	D	25.2	Very low	25.9	Very low	123 Å²	123	130.8 Å²	130.8	66%	0.658	74%	0.739	S	S	*	*			trans	38.7	111.9	155.2	-55.9	-26.1	0	0	0	121.1
1983	L	23.6	Very low	25.9	Very low	172 Å²	172	131.7 Å²	131.7	90%	0.901	74%	0.74	S	S	*	*				-170.8	160.3	109.9	-103.5	168	0	0	0	112.5
1984	K	29.8	Very low	25.8	Very low	181 Å²	181	129.9 Å²	129.9	79%	0.787	73%	0.734	S	S	*	*			trans	61.2	94.4	-172.2	-69.1	-176.3	179	178	0	113.4
1985	T	28.3	Very low	25.4	Very low	113 Å²	113	127.1 Å²	127.1	69%	0.693	73%	0.727	S	S	*	*				56.3	110.3	91.4	64.1	0	0	0	0	112.4
1986	S	20.6	Very low	25.5	Very low	90 Å²	90	126.5 Å²	126.5	63%	0.629	72%	0.723	S	S	*	*				62.2	156.6	54	91.8	0	0	0	0	113.9
1987	F	22	Very low	25.5	Very low	194 Å²	194	125.6 Å²	125.6	85%	0.851	72%	0.716	S	S	*	*			trans	68	22.8	-178.5	-64.3	-69.8	0	0	0	118.6	K1989	F1987-K1989 PolarHBondContact O-N 3.49Å; F1987-K1989 VanDerWaalsContact O-N 3.13Å
1988	G	27.2	Very low	25.8	Very low	75 Å²	75	123.6 Å²	123.6	77%	0.773	71%	0.714	S	S	*	*			trans	40.2	-111.5	152.3	0	0	0	0	0	114.7
1989	K	31.9	Very low	26.3	Very low	177 Å²	177	125.4 Å²	125.4	77%	0.77	71%	0.709	S	S	*	*			cis	-71.5	170.4	-10.7	-68.2	174.9	176.8	169.9	0	108.1	F1987	F1987-K1989 PolarHBondContact O-N 3.49Å; F1987-K1989 VanDerWaalsContact O-N 3.13Å
1990	L	23.4	Very low	27	Very low	161 Å²	161	129.6 Å²	129.6	84%	0.843	73%	0.726	S	S	*	*			cis	51.7	174.3	42.3	-110.5	71.1	0	0	0	110.9
1991	P	25.8	Very low	26.8	Very low	79 Å²	79	129.3 Å²	129.3	51%	0.513	72%	0.719	S	S	.	*			cis	-122.4	-159.4	-24.5	25	-2.5	0	0	0	109.5
1992	T	23.2	Very low	27	Very low	103 Å²	103	130.7 Å²	130.7	63%	0.632	72%	0.723	S	S	*	*			trans	57.2	116.5	137.4	52.8	0	0	0	0	119.1
1993	T	24.1	Very low	27	Very low	124 Å²	124	130.8 Å²	130.8	76%	0.761	73%	0.728	S	S	*	*				90.5	135.7	117.5	59.1	0	0	0	0	119.1
1994	S	23.1	Very low	27.4	Very low	92 Å²	92	128.7 Å²	128.7	64%	0.643	72%	0.723	S	S	*	*			cis	-171.7	177.8	-16.3	45.5	0	0	0	0	109.6
1995	S	22.8	Very low	27.1	Very low	88 Å²	88	130 Å²	130	62%	0.615	72%	0.724	S	S	*	*			trans	51.8	125.9	134.9	69.2	0	0	0	0	117.4
1996	T	30.4	Very low	26.9	Very low	115 Å²	115	130.2 Å²	130.2	71%	0.706	73%	0.727	S	S	*	*				-164.2	137.5	66.2	18.7	0	0	0	0	111.9
1997	T	28.1	Very low	27	Very low	112 Å²	112	130 Å²	130	69%	0.687	73%	0.726	S	S	*	*			trans	40.5	117.5	141.6	66.3	0	0	0	0	119.1
1998	T	32.1	Very low	27	Very low	112 Å²	112	128.2 Å²	128.2	69%	0.687	73%	0.725	S	S	*	*				-177.2	137.6	79.7	27.2	0	0	0	0	114.5
1999	K	34.6	Very low	27	Very low	164 Å²	164	132.1 Å²	132.1	71%	0.713	73%	0.727	S	S	*	*	S	Bend	trans	82.9	114.4	146.2	-68.8	164.5	-176.7	174.3	0	117.8	D2001	K1999-D2001 WeakPolarHBondContact CA-OD2 3.16Å; K1999-D2001 PolarHBondContact N-OD2 2.94Å
2000	N	37.1	Very low	26.5	Very low	160 Å²	160	130.4 Å²	130.4	86%	0.856	73%	0.726	S	S	*	*	S	Bend	trans	64.1	55.8	170.8	-52.9	-6	0	0	0	112.5
2001	D	22.8	Very low	26.4	Very low	123 Å²	123	127.3 Å²	127.3	66%	0.658	72%	0.718	S	S	*	*			cis	60.7	136.2	40.1	-66.6	-44.6	0	0	0	115.8	K1999	K1999-D2001 WeakPolarHBondContact CA-OD2 3.16Å; K1999-D2001 PolarHBondContact N-OD2 2.94Å
2002	K	30.7	Very low	26.3	Very low	187 Å²	187	132.1 Å²	132.1	81%	0.813	73%	0.731	S	S	*	*			trans	89.2	92.5	168.6	-62.4	179	-177.6	176.1	0	116.4
2003	T	26	Very low	26.3	Very low	125 Å²	125	133.2 Å²	133.2	77%	0.767	73%	0.733	S	S	*	*				75.8	134.7	75.3	64.2	0	0	0	0	112.7
2004	T	31.4	Very low	26.4	Very low	127 Å²	127	133.9 Å²	133.9	78%	0.779	73%	0.732	S	S	*	*			cis	-147.6	119.6	40.3	-59.1	0	0	0	0	113.8
2005	Y	23	Very low	26.5	Very low	209 Å²	209	136.8 Å²	136.8	82%	0.82	74%	0.738	S	S	*	*			trans	-74.1	156.4	155.6	-91.9	-92.7	0	0	0	109.8
2006	P	24.8	Very low	26.7	Very low	117 Å²	117	137.1 Å²	137.1	76%	0.76	74%	0.741	S	S	*	*				-143.8	157	98.3	39	-25.1	0	0	0	115.8
2007	S	23.2	Very low	26.5	Very low	87 Å²	87	137 Å²	137	61%	0.608	74%	0.744	S	S	*	*			trans	-84.3	174.8	158.9	-52.4	0	0	0	0	110.8
2008	D	22.1	Very low	26.4	Very low	155 Å²	155	135.1 Å²	135.1	83%	0.829	75%	0.747	S	S	*	*			trans	67.3	137.9	172.9	-47.1	-27.6	0	0	0	113.9
2009	I	26.4	Very low	26.1	Very low	158 Å²	158	138.3 Å²	138.3	81%	0.81	76%	0.755	S	S	*	*				-153.7	162.8	57.4	-83.3	169.3	0	0	0	111.1
2010	N	21.3	Very low	25.9	Very low	141 Å²	141	138.7 Å²	138.7	75%	0.754	76%	0.759	S	S	*	*			trans	-56.2	157	177.7	-53.6	-77.8	0	0	0	116
2011	S	21.6	Very low	25.5	Very low	96 Å²	96	135.4 Å²	135.4	67%	0.671	75%	0.748	S	S	*	*			trans	56.7	120.2	149.9	62.6	0	0	0	0	117.9
2012	F	23.9	Very low	26.1	Very low	180 Å²	180	133.5 Å²	133.5	79%	0.789	74%	0.741	S	S	*	*				-165.8	151.9	71.5	-112.7	-94	0	0	0	112.6
2013	D	23.6	Very low	26.6	Very low	125 Å²	125	127.9 Å²	127.9	67%	0.668	72%	0.723	S	S	*	*			trans	28	128.8	148.9	-68.8	-2.9	0	0	0	124
2014	L	24.8	Very low	27	Very low	139 Å²	139	127 Å²	127	73%	0.728	71%	0.708	S	S	*	*			trans	66.8	112.9	133.2	-63.3	167.8	0	0	0	121.6
2015	I	25.4	Very low	27.3	Very low	153 Å²	153	124.5 Å²	124.5	79%	0.785	69%	0.692	S	S	*	*			trans	66.5	113.6	139.1	-53.5	167.2	0	0	0	115.4
2016	S	26.7	Very low	28.3	Very low	95 Å²	95	119.4 Å²	119.4	66%	0.664	68%	0.679	S	S	*	*				-173.8	148.9	72.4	-165	0	0	0	0	115.2
2017	S	26.6	Very low	29.7	Very low	112 Å²	112	121 Å²	121	78%	0.783	67%	0.674	S	S	*	*			trans	42.6	126.3	142.7	61.6	0	0	0	0	123.3
2018	G	25.8	Very low	30.7	Very low	73 Å²	73	120.1 Å²	120.1	75%	0.753	66%	0.662	S	S	*	*			trans	157.7	117.6	145.9	0	0	0	0	0	117.4
2019	E	26.9	Very low	31.8	Very low	179 Å²	179	116 Å²	116	84%	0.836	64%	0.638	S	S	*	*			trans	50.7	82.5	146.1	-55.3	-172.1	162.9	0	0	121.4
2020	E	30.6	Very low	33.6	Very low	171 Å²	171	112.7 Å²	112.7	80%	0.799	63%	0.626	S	S	*	*			trans	-121.4	17.9	152.8	-80.5	-155.5	129.9	0	0	113.3	T2022	E2020-T2022 VanDerWaalsContact C-N 3.26Å; E2020-T2022 PolarHBondContact O-N 2.82Å
2021	S	28.1	Very low	34.9	Very low	92 Å²	92	108.6 Å²	108.6	64%	0.643	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-1.7	-178.4	47.4	0	0	0	0	115.2
2022	T	35	Very low	35.9	Very low	83 Å²	83	106.3 Å²	106.3	51%	0.509	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.3	-47.6	-176.3	47.6	0	0	0	0	112.9	E2020 F2024 V2025 D2026	E2020-T2022 VanDerWaalsContact C-N 3.26Å; E2020-T2022 PolarHBondContact O-N 2.82Å; T2022-F2024 PolarHBondContact O-N 2.87Å; T2022-F2024 VanDerWaalsContact O-N 3.14Å; T2022-V2025 WeakPolarHBondContact O-CA 3.36Å; T2022-V2025 WeakPolarHBondContact O-CB 3.18Å; T2022-V2025 PolarHBondContact O-N 2.77Å; T2022-D2026 PolarHBondContact O-N 3.42Å; T2022-D2026 VanDerWaalsContact O-N 3.1Å
2023	V	41.3	Very low	37.2	Very low	69 Å²	69	101.9 Å²	101.9	42%	0.418	58%	0.575	S	S	.	*	H	α-helix	trans	-60.6	-28.9	-176.7	-179.1	0	0	0	0	112.7	K2027	V2023-K2027 HydrophobicContact CG1-CD 4.16Å; V2023-K2027 WeakPolarHBondContact O-CG 3.18Å; V2023-K2027 PolarHBondContact O-N 2.99Å
2024	F	34.8	Very low	38.9	Very low	107 Å²	107	101.9 Å²	101.9	47%	0.469	57%	0.571	S	S	.	*	H	α-helix	trans	-67.2	-39.6	171.8	-179	-101.4	0	0	0	112.3	Y1910 T2022 L2028	Y1910-F2024 HydrophobicContact CE1-CE2 4.44Å; Y1910-F2024 WeakPolarHBondContact OH-CE2 3.5Å; T2022-F2024 PolarHBondContact O-N 2.87Å; T2022-F2024 VanDerWaalsContact O-N 3.14Å; F2024-L2028 HydrophobicContact CE1-CD1 3.82Å; F2024-L2028 HydrophobicContact CZ-CD1 3.8Å; F2024-L2028 VanDerWaalsContact O-CB 3.29Å; F2024-L2028 WeakPolarHBondContact O-CB 3.49Å; F2024-L2028 PolarHBondContact O-N 2.86Å
2025	V	37.6	Very low	39.9	Very low	73 Å²	73	100.2 Å²	100.2	44%	0.442	56%	0.562	S	S	.	*	H	α-helix	trans	-69	-46.6	179.2	179.5	0	0	0	0	110.4	T2022 K2027 L2028 Q2029	T2022-V2025 WeakPolarHBondContact O-CA 3.36Å; T2022-V2025 WeakPolarHBondContact O-CB 3.18Å; T2022-V2025 PolarHBondContact O-N 2.77Å; V2025-K2027 PolarHBondContact O-N 3.25Å; V2025-L2028 PolarHBondContact O-N 3.39Å; V2025-Q2029 VanDerWaalsContact O-CB 3.25Å; V2025-Q2029 WeakPolarHBondContact O-CB 3.44Å; V2025-Q2029 PolarHBondContact O-N 3.38Å
2026	D	44.8	Very low	41.2	Very low	102 Å²	102	95.4 Å²	95.4	55%	0.545	54%	0.538	S	S	.	.	H	α-helix	trans	-64	-40.3	-178.4	-69.5	-33.3	0	0	0	112.8	T2022 T2030	T2022-D2026 PolarHBondContact O-N 3.42Å; T2022-D2026 VanDerWaalsContact O-N 3.1Å; D2026-T2030 WeakPolarHBondContact O-CB 3.25Å; D2026-T2030 PolarHBondContact O-N 3.01Å; D2026-T2030 PolarHBondContact O-OG1 2.85Å
2027	K	54.3	Low	43	Very low	150 Å²	150	92.6 Å²	92.6	65%	0.652	52%	0.524	S	S	*	.	H	α-helix	trans	-65.3	-39.1	175.2	-73	175.4	-179.8	173.7	0	111.9	V2023 V2025 A2031	V2023-K2027 HydrophobicContact CG1-CD 4.16Å; V2023-K2027 WeakPolarHBondContact O-CG 3.18Å; V2023-K2027 PolarHBondContact O-N 2.99Å; V2025-K2027 PolarHBondContact O-N 3.25Å; K2027-A2031 PolarHBondContact O-N 3.27Å; K2027-A2031 VanDerWaalsContact O-N 3.1Å
2028	L	42.9	Very low	44.6	Very low	69 Å²	69	92.3 Å²	92.3	36%	0.361	51%	0.51	S	S	.	.	H	α-helix	trans	-72.9	-39.5	179	-160.5	155	0	0	0	111.6	F2024 V2025 A2031 M2032	F2024-L2028 HydrophobicContact CE1-CD1 3.82Å; F2024-L2028 HydrophobicContact CZ-CD1 3.8Å; F2024-L2028 VanDerWaalsContact O-CB 3.29Å; F2024-L2028 WeakPolarHBondContact O-CB 3.49Å; F2024-L2028 PolarHBondContact O-N 2.86Å; V2025-L2028 PolarHBondContact O-N 3.39Å; L2028-A2031 PolarHBondContact O-N 3.33Å; L2028-M2032 HydrophobicContact CD2-CG 4.15Å; L2028-M2032 HydrophobicContact CD2-SD 3.8Å; L2028-M2032 WeakPolarHBondContact O-CB 3.22Å; L2028-M2032 WeakPolarHBondContact O-CG 3.34Å; L2028-M2032 PolarHBondContact O-N 3.05Å
2029	Q	45	Very low	45.8	Very low	68 Å²	68	91 Å²	91	32%	0.318	49%	0.488	S	S	.	.	H	α-helix	trans	-62.8	-42.2	173.2	-175.2	69.1	-4.4	0	0	111.5	V2025 M2032 N2033	V2025-Q2029 VanDerWaalsContact O-CB 3.25Å; V2025-Q2029 WeakPolarHBondContact O-CB 3.44Å; V2025-Q2029 PolarHBondContact O-N 3.38Å; Q2029-M2032 PolarHBondContact O-N 3.34Å; Q2029-N2033 WeakPolarHBondContact O-CB 3.41Å; Q2029-N2033 VanDerWaalsContact O-CG 3.28Å; Q2029-N2033 PolarHBondContact O-N 3.22Å; Q2029-N2033 PolarHBondContact O-ND2 3.22Å
2030	T	64.1	Low	47.6	Very low	90 Å²	90	87.3 Å²	87.3	55%	0.552	47%	0.466	S	S	*	.	H	α-helix	trans	-61.3	-50.1	175.6	-57.9	0	0	0	0	111.1	D2026 M2032 N2033 E2034	D2026-T2030 WeakPolarHBondContact O-CB 3.25Å; D2026-T2030 PolarHBondContact O-N 3.01Å; D2026-T2030 PolarHBondContact O-OG1 2.85Å; T2030-M2032 VanDerWaalsContact C-N 3.32Å; T2030-M2032 PolarHBondContact O-N 3.01Å; T2030-N2033 PolarHBondContact O-N 3.31Å; T2030-E2034 PolarHBondContact O-N 3.29Å
2031	A	50.1	Low	49.3	Very low	55 Å²	55	83.8 Å²	83.8	46%	0.455	45%	0.45	S	S	.	.	H	α-helix	trans	-62	-36.6	177.2	0	0	0	0	0	112.9	K2027 L2028 L2035	K2027-A2031 PolarHBondContact O-N 3.27Å; K2027-A2031 VanDerWaalsContact O-N 3.1Å; L2028-A2031 PolarHBondContact O-N 3.33Å; A2031-L2035 WeakPolarHBondContact O-CB 3.44Å; A2031-L2035 PolarHBondContact O-N 3.15Å; A2031-L2035 VanDerWaalsContact O-N 3.17Å
2032	M	41.2	Very low	50.8	Low	47 Å²	47	84.2 Å²	84.2	23%	0.232	44%	0.444	C	S	.	.	H	α-helix	trans	-68.7	-37.8	174.7	-79.2	-166.3	55.4	0	0	113	L2028 Q2029 T2030 L2035 L2036 I2073	L2028-M2032 HydrophobicContact CD2-CG 4.15Å; L2028-M2032 HydrophobicContact CD2-SD 3.8Å; L2028-M2032 WeakPolarHBondContact O-CB 3.22Å; L2028-M2032 WeakPolarHBondContact O-CG 3.34Å; L2028-M2032 PolarHBondContact O-N 3.05Å; Q2029-M2032 PolarHBondContact O-N 3.34Å; T2030-M2032 VanDerWaalsContact C-N 3.32Å; T2030-M2032 PolarHBondContact O-N 3.01Å; M2032-L2035 PolarHBondContact O-N 3.32Å; M2032-L2036 WeakPolarHBondContact O-CB 3.35Å; M2032-L2036 PolarHBondContact O-N 2.94Å; M2032-I2073 HydrophobicContact CE-CG2 3.61Å; M2032-I2073 HydrophobicContact SD-CG2 4.23Å
2033	N	51.6	Low	51.8	Low	88 Å²	88	81.3 Å²	81.3	47%	0.471	43%	0.425	S	S	.	.	H	α-helix	trans	-66.9	-40.7	176.3	-76.8	-24	0	0	0	111.9	Q2029 T2030 L2036 G2037	Q2029-N2033 WeakPolarHBondContact O-CB 3.41Å; Q2029-N2033 VanDerWaalsContact O-CG 3.28Å; Q2029-N2033 PolarHBondContact O-N 3.22Å; Q2029-N2033 PolarHBondContact O-ND2 3.22Å; T2030-N2033 PolarHBondContact O-N 3.31Å; N2033-L2036 PolarHBondContact O-N 3.1Å; N2033-G2037 PolarHBondContact O-N 3.43Å
2034	E	60.5	Low	53	Low	125 Å²	125	78.7 Å²	78.7	58%	0.584	41%	0.41	S	S	*	.	H	α-helix	trans	-62.1	-45.1	175.5	-167.4	-176.3	168	0	0	111.4	T2030 L2036 G2037 Q2038	T2030-E2034 PolarHBondContact O-N 3.29Å; E2034-L2036 VanDerWaalsContact C-N 3.34Å; E2034-L2036 PolarHBondContact O-N 3.01Å; E2034-G2037 WeakPolarHBondContact O-CA 3.15Å; E2034-G2037 PolarHBondContact O-N 2.74Å; E2034-G2037 VanDerWaalsContact O-N 3.09Å; E2034-Q2038 WeakPolarHBondContact O-CG 3.3Å; E2034-Q2038 PolarHBondContact O-N 3Å
2035	L	45.4	Very low	54.2	Low	103 Å²	103	79.9 Å²	79.9	54%	0.539	42%	0.417	S	S	.	.	H	α-helix	trans	-67.4	-33.7	178.9	-159.5	150.4	0	0	0	112.1	A2031 M2032 T2039	A2031-L2035 WeakPolarHBondContact O-CB 3.44Å; A2031-L2035 PolarHBondContact O-N 3.15Å; A2031-L2035 VanDerWaalsContact O-N 3.17Å; M2032-L2035 PolarHBondContact O-N 3.32Å; L2035-T2039 WeakPolarHBondContact O-CB 3.5Å; L2035-T2039 PolarHBondContact O-N 3.25Å; L2035-T2039 PolarHBondContact O-OG1 2.89Å
2036	L	52.2	Low	54.7	Low	53 Å²	53	83.2 Å²	83.2	28%	0.277	43%	0.425	S	S	.	.	H	α-helix	trans	-65.2	-40.9	167.9	-88.1	164.1	0	0	0	112.2	M2032 N2033 E2034 T2039 R2040 Y2080	M2032-L2036 WeakPolarHBondContact O-CB 3.35Å; M2032-L2036 PolarHBondContact O-N 2.94Å; N2033-L2036 PolarHBondContact O-N 3.1Å; E2034-L2036 VanDerWaalsContact C-N 3.34Å; E2034-L2036 PolarHBondContact O-N 3.01Å; L2036-T2039 WeakPolarHBondContact O-CB 3.16Å; L2036-T2039 PolarHBondContact O-N 2.88Å; L2036-R2040 PolarHBondContact O-N 2.73Å; L2036-Y2080 HydrophobicContact CD2-CD1 4.27Å; L2036-Y2080 HydrophobicContact CD2-CE1 3.78Å; L2036-Y2080 HydrophobicContact CD2-CE2 4.2Å
2037	G	64.3	Low	54.6	Low	35 Å²	35	82 Å²	82	36%	0.361	41%	0.413	S	S	.	.	H	α-helix	trans	-59.8	-50.5	175.9	0	0	0	0	0	112.5	N2033 E2034 T2039 R2040 Q2041	N2033-G2037 PolarHBondContact O-N 3.43Å; E2034-G2037 WeakPolarHBondContact O-CA 3.15Å; E2034-G2037 PolarHBondContact O-N 2.74Å; E2034-G2037 VanDerWaalsContact O-N 3.09Å; G2037-T2039 VanDerWaalsContact C-N 3.27Å; G2037-T2039 PolarHBondContact O-N 3.13Å; G2037-R2040 PolarHBondContact O-N 3.31Å; G2037-Q2041 PolarHBondContact O-N 3.42Å
2038	Q	59.8	Low	54	Low	107 Å²	107	82.2 Å²	82.2	50%	0.5	42%	0.422	S	S	.	.	H	α-helix	trans	-57.9	-41	173.6	-65.7	176.9	21	0	0	111.4	E2034 Q2041 I2042	E2034-Q2038 WeakPolarHBondContact O-CG 3.3Å; E2034-Q2038 PolarHBondContact O-N 3Å; Q2038-Q2041 PolarHBondContact O-N 2.92Å; Q2038-I2042 WeakPolarHBondContact O-CD1 3.43Å; Q2038-I2042 VanDerWaalsContact O-CG1 3.29Å; Q2038-I2042 WeakPolarHBondContact O-CG1 3.48Å; Q2038-I2042 PolarHBondContact O-N 3.43Å
2039	T	52.3	Low	54.7	Low	46 Å²	46	80 Å²	80	28%	0.282	41%	0.41	S	S	.	.	H	α-helix	trans	-63.9	-42	176.9	-57.3	0	0	0	0	112.4	L2035 L2036 G2037 I2043 Y2080	L2035-T2039 WeakPolarHBondContact O-CB 3.5Å; L2035-T2039 PolarHBondContact O-N 3.25Å; L2035-T2039 PolarHBondContact O-OG1 2.89Å; L2036-T2039 WeakPolarHBondContact O-CB 3.16Å; L2036-T2039 PolarHBondContact O-N 2.88Å; G2037-T2039 VanDerWaalsContact C-N 3.27Å; G2037-T2039 PolarHBondContact O-N 3.13Å; T2039-I2043 HydrophobicContact CG2-CD1 4.09Å; T2039-I2043 WeakPolarHBondContact O-CG1 3.15Å; T2039-I2043 PolarHBondContact O-N 2.84Å; T2039-I2043 VanDerWaalsContact O-N 3.11Å; T2039-Y2080 HydrophobicContact CG2-CE1 4.23Å
2040	R	63.8	Low	55.6	Low	100 Å²	100	79 Å²	79	38%	0.377	41%	0.411	S	S	.	.	H	α-helix	trans	-61.4	-45.9	174.6	-70.1	-168.6	-164.2	-154.1	9.9	111.4	L2036 G2037 I2043 C2044 L2054 M2058	L2036-R2040 PolarHBondContact O-N 2.73Å; G2037-R2040 PolarHBondContact O-N 3.31Å; R2040-I2043 PolarHBondContact O-N 3.05Å; R2040-I2043 VanDerWaalsContact O-N 3.16Å; R2040-C2044 PolarHBondContact O-N 2.92Å; R2040-L2054 HydrophobicContact CB-CD2 3.94Å; R2040-L2054 HydrophobicContact CG-CD2 4.26Å; R2040-M2058 HydrophobicContact CG-SD 4.45Å; R2040-M2058 VanDerWaalsContact CZ-CE 3.42Å; R2040-M2058 VanDerWaalsContact CZ-SD 3.54Å
2041	Q	66.1	Low	55.4	Low	97 Å²	97	82.2 Å²	82.2	45%	0.453	42%	0.417	S	S	.	.	H	α-helix	trans	-61.1	-46.5	179.9	179.9	165.9	-11.2	0	0	111.8	G2037 Q2038 I2043 C2044 E2045	G2037-Q2041 PolarHBondContact O-N 3.42Å; Q2038-Q2041 PolarHBondContact O-N 2.92Å; Q2041-I2043 PolarHBondContact O-N 3.1Å; Q2041-C2044 PolarHBondContact O-N 3.18Å; Q2041-E2045 HydrophobicContact CG-CG 4.35Å; Q2041-E2045 WeakPolarHBondContact CG-OE1 3.42Å; Q2041-E2045 PolarHBondContact NE2-OE1 3.3Å; Q2041-E2045 WeakPolarHBondContact O-CG 2.93Å; Q2041-E2045 PolarHBondContact O-N 2.95Å
2042	I	60.6	Low	55.8	Low	101 Å²	101	86.6 Å²	86.6	52%	0.518	43%	0.428	S	S	.	.	H	α-helix	trans	-60.8	-32.6	176.1	-68.4	164.9	0	0	0	111.7	Q2038 K2046	Q2038-I2042 WeakPolarHBondContact O-CD1 3.43Å; Q2038-I2042 VanDerWaalsContact O-CG1 3.29Å; Q2038-I2042 WeakPolarHBondContact O-CG1 3.48Å; Q2038-I2042 PolarHBondContact O-N 3.43Å; I2042-K2046 WeakPolarHBondContact O-CB 3.18Å; I2042-K2046 PolarHBondContact O-N 3.35Å; I2042-K2046 VanDerWaalsContact O-N 3.14Å
2043	I	54.7	Low	56.2	Low	22 Å²	22	89.9 Å²	89.9	11%	0.113	44%	0.443	C	S	.	.	H	α-helix	trans	-70.6	-48.2	175.1	-71.3	167.3	0	0	0	111.1	T2039 R2040 Q2041 K2046 Y2047 L2054	T2039-I2043 HydrophobicContact CG2-CD1 4.09Å; T2039-I2043 WeakPolarHBondContact O-CG1 3.15Å; T2039-I2043 PolarHBondContact O-N 2.84Å; T2039-I2043 VanDerWaalsContact O-N 3.11Å; R2040-I2043 PolarHBondContact O-N 3.05Å; R2040-I2043 VanDerWaalsContact O-N 3.16Å; Q2041-I2043 PolarHBondContact O-N 3.1Å; I2043-K2046 PolarHBondContact O-N 2.84Å; I2043-Y2047 HydrophobicContact CG2-CD2 4.23Å; I2043-Y2047 WeakPolarHBondContact O-CD2 3.36Å; I2043-Y2047 PolarHBondContact O-N 3.28Å; I2043-Y2047 VanDerWaalsContact O-N 3.1Å; I2043-L2054 HydrophobicContact CB-CD2 4.48Å; I2043-L2054 HydrophobicContact CG2-CD1 4.33Å; I2043-L2054 HydrophobicContact CG2-CD2 4.24Å
2044	C	66.9	Low	56.5	Low	15 Å²	15	86 Å²	86	10%	0.101	42%	0.422	C	S	.	.	H	α-helix	trans	-57.2	-51.8	176.2	-76.6	0	0	0	0	111.8	R2040 Q2041 K2046 N2048 I2049 L2054	R2040-C2044 PolarHBondContact O-N 2.92Å; Q2041-C2044 PolarHBondContact O-N 3.18Å; C2044-K2046 VanDerWaalsContact C-N 3.33Å; C2044-K2046 PolarHBondContact O-N 3.35Å; C2044-N2048 VanDerWaalsContact O-CA 3.32Å; C2044-N2048 WeakPolarHBondContact O-CA 3.24Å; C2044-N2048 PolarHBondContact O-N 3.31Å; C2044-I2049 WeakPolarHBondContact CB-O 3.33Å; C2044-I2049 PolarHBondContact O-N 2.99Å; C2044-I2049 PolarHBondContact SG-O 2.57Å; C2044-I2049 VanDerWaalsContact SG-O 3.35Å; C2044-L2054 VanDerWaalsContact SG-CD2 3.54Å
2045	E	60.7	Low	56.2	Low	131 Å²	131	81.4 Å²	81.4	61%	0.612	41%	0.406	S	S	*	.	H	α-helix	trans	-65.5	-32.9	-177.5	-70.1	172.6	-173.3	0	0	113.1	Q2041	Q2041-E2045 HydrophobicContact CG-CG 4.35Å; Q2041-E2045 WeakPolarHBondContact CG-OE1 3.42Å; Q2041-E2045 PolarHBondContact NE2-OE1 3.3Å; Q2041-E2045 WeakPolarHBondContact O-CG 2.93Å; Q2041-E2045 PolarHBondContact O-N 2.95Å
2046	K	47	Very low	56.5	Low	144 Å²	144	81.6 Å²	81.6	63%	0.626	41%	0.407	S	S	*	.	H	α-helix	trans	-85.8	-26.2	-175.2	-173.4	177.1	176.2	-173.9	0	114.2	I2042 I2043 C2044	I2042-K2046 WeakPolarHBondContact O-CB 3.18Å; I2042-K2046 PolarHBondContact O-N 3.35Å; I2042-K2046 VanDerWaalsContact O-N 3.14Å; I2043-K2046 PolarHBondContact O-N 2.84Å; C2044-K2046 VanDerWaalsContact C-N 3.33Å; C2044-K2046 PolarHBondContact O-N 3.35Å
2047	Y	42.4	Very low	56.2	Low	76 Å²	76	80.8 Å²	80.8	30%	0.298	41%	0.408	S	S	.	.	H	α-helix	trans	-114.5	0.9	-179.3	-61.7	-72.9	0	0	0	113.7	I2043 I2049 I2088	I2043-Y2047 HydrophobicContact CG2-CD2 4.23Å; I2043-Y2047 WeakPolarHBondContact O-CD2 3.36Å; I2043-Y2047 PolarHBondContact O-N 3.28Å; I2043-Y2047 VanDerWaalsContact O-N 3.1Å; Y2047-I2049 VanDerWaalsContact C-N 3.25Å; Y2047-I2049 PolarHBondContact O-N 3.06Å; Y2047-I2088 HydrophobicContact CD2-CD1 4.39Å; Y2047-I2088 HydrophobicContact CD2-CG1 4.23Å; Y2047-I2088 HydrophobicContact CE1-CG1 4.45Å; Y2047-I2088 HydrophobicContact CE1-CG2 3.91Å; Y2047-I2088 HydrophobicContact CE2-CD1 3.64Å; Y2047-I2088 HydrophobicContact CE2-CG1 3.87Å
2048	N	43.1	Very low	55.1	Low	154 Å²	154	81.6 Å²	81.6	82%	0.824	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	34.8	178.5	-148.3	48.3	0	0	0	113.7	C2044	C2044-N2048 VanDerWaalsContact O-CA 3.32Å; C2044-N2048 WeakPolarHBondContact O-CA 3.24Å; C2044-N2048 PolarHBondContact O-N 3.31Å
2049	I	57.3	Low	54.2	Low	22 Å²	22	82 Å²	82	11%	0.113	41%	0.409	C	S	.	.			trans	-94	134.3	176.8	-58	170.8	0	0	0	108	C2044 Y2047 E2053 T2091	C2044-I2049 WeakPolarHBondContact CB-O 3.33Å; C2044-I2049 PolarHBondContact O-N 2.99Å; C2044-I2049 PolarHBondContact SG-O 2.57Å; C2044-I2049 VanDerWaalsContact SG-O 3.35Å; Y2047-I2049 VanDerWaalsContact C-N 3.25Å; Y2047-I2049 PolarHBondContact O-N 3.06Å; I2049-E2053 HydrophobicContact CG2-CB 3.71Å; I2049-T2091 HydrophobicContact CD1-CG2 4.19Å
2050	S	62.9	Low	53.4	Low	49 Å²	49	87.3 Å²	87.3	34%	0.343	43%	0.431	S	S	.	.			trans	-64.6	155	-179.2	68.9	0	0	0	0	112.3	E2052 E2053 L2054	S2050-E2052 PolarHBondContact O-N 3.21Å; S2050-E2053 VanDerWaalsContact CB-OE2 3.23Å; S2050-E2053 WeakPolarHBondContact CB-OE2 3.49Å; S2050-E2053 PolarHBondContact N-OE2 2.9Å; S2050-E2053 PolarHBondContact O-N 2.71Å; S2050-E2053 WeakPolarHBondContact OG-CB 3.3Å; S2050-E2053 VanDerWaalsContact OG-CD 3.29Å; S2050-E2053 WeakPolarHBondContact OG-CG 3.13Å; S2050-E2053 PolarHBondContact OG-N 2.78Å; S2050-E2053 PolarHBondContact OG-OE2 3.03Å; S2050-L2054 PolarHBondContact O-N 2.77Å; S2050-L2054 VanDerWaalsContact O-N 3.11Å
2051	K	61.6	Low	52	Low	156 Å²	156	86.4 Å²	86.4	68%	0.678	44%	0.44	S	S	*	.	H	α-helix	trans	-60.1	-30.7	174	-79.3	-174.4	175.6	179.1	0	112	A2055	K2051-A2055 VanDerWaalsContact O-CB 3.25Å; K2051-A2055 WeakPolarHBondContact O-CB 3.29Å; K2051-A2055 PolarHBondContact O-N 3.33Å
2052	E	57.2	Low	50.1	Low	148 Å²	148	89.2 Å²	89.2	69%	0.692	46%	0.458	S	S	*	.	H	α-helix	trans	-75.5	-42.8	179	-64.9	-176.5	137.9	0	0	112.1	S2050 L2054 A2055 N2056	S2050-E2052 PolarHBondContact O-N 3.21Å; E2052-L2054 VanDerWaalsContact C-N 3.34Å; E2052-L2054 PolarHBondContact O-N 3.34Å; E2052-A2055 PolarHBondContact O-N 3.37Å; E2052-N2056 VanDerWaalsContact O-CB 3.31Å; E2052-N2056 WeakPolarHBondContact O-CB 3.36Å; E2052-N2056 PolarHBondContact O-N 2.64Å; E2052-N2056 PolarHBondContact O-ND2 3.2Å
2053	E	50.6	Low	48.7	Very low	116 Å²	116	92 Å²	92	54%	0.542	47%	0.473	S	S	.	.	H	α-helix	trans	-60.6	-42.8	172.9	-73.4	162.3	119.9	0	0	111.8	I2049 S2050 A2057	I2049-E2053 HydrophobicContact CG2-CB 3.71Å; S2050-E2053 VanDerWaalsContact CB-OE2 3.23Å; S2050-E2053 WeakPolarHBondContact CB-OE2 3.49Å; S2050-E2053 PolarHBondContact N-OE2 2.9Å; S2050-E2053 PolarHBondContact O-N 2.71Å; S2050-E2053 WeakPolarHBondContact OG-CB 3.3Å; S2050-E2053 VanDerWaalsContact OG-CD 3.29Å; S2050-E2053 WeakPolarHBondContact OG-CG 3.13Å; S2050-E2053 PolarHBondContact OG-N 2.78Å; S2050-E2053 PolarHBondContact OG-OE2 3.03Å; E2053-A2057 WeakPolarHBondContact O-CB 3.45Å; E2053-A2057 PolarHBondContact O-N 3.18Å
2054	L	56.5	Low	47.5	Very low	6 Å²	6	96.3 Å²	96.3	3%	0.031	50%	0.501	C	S	.	.	H	α-helix	trans	-68.1	-34.6	176.4	-172.4	63.7	0	0	0	112.1	R2040 I2043 C2044 S2050 E2052 M2058 L2087	R2040-L2054 HydrophobicContact CB-CD2 3.94Å; R2040-L2054 HydrophobicContact CG-CD2 4.26Å; I2043-L2054 HydrophobicContact CB-CD2 4.48Å; I2043-L2054 HydrophobicContact CG2-CD1 4.33Å; I2043-L2054 HydrophobicContact CG2-CD2 4.24Å; C2044-L2054 VanDerWaalsContact SG-CD2 3.54Å; S2050-L2054 PolarHBondContact O-N 2.77Å; S2050-L2054 VanDerWaalsContact O-N 3.11Å; E2052-L2054 VanDerWaalsContact C-N 3.34Å; E2052-L2054 PolarHBondContact O-N 3.34Å; L2054-M2058 HydrophobicContact CD1-SD 4.47Å; L2054-M2058 HydrophobicContact CG-SD 4.37Å; L2054-M2058 WeakPolarHBondContact O-CB 3.17Å; L2054-M2058 WeakPolarHBondContact O-CG 3.22Å; L2054-M2058 PolarHBondContact O-N 3.26Å; L2054-L2087 HydrophobicContact CD1-CD2 4.13Å
2055	A	54.9	Low	45.7	Very low	29 Å²	29	103.6 Å²	103.6	24%	0.24	54%	0.539	C	S	.	.	H	α-helix	trans	-69.2	-46.2	174.5	0	0	0	0	0	112	K2051 E2052 A2057 M2058 N2059	K2051-A2055 VanDerWaalsContact O-CB 3.25Å; K2051-A2055 WeakPolarHBondContact O-CB 3.29Å; K2051-A2055 PolarHBondContact O-N 3.33Å; E2052-A2055 PolarHBondContact O-N 3.37Å; A2055-A2057 PolarHBondContact O-N 2.85Å; A2055-M2058 CarbonylContact O-C 3.5Å; A2055-M2058 WeakPolarHBondContact O-CA 3.45Å; A2055-M2058 WeakPolarHBondContact O-CB 3.44Å; A2055-M2058 PolarHBondContact O-N 3.45Å; A2055-N2059 VanDerWaalsContact O-CG 3.32Å; A2055-N2059 PolarHBondContact O-N 2.94Å; A2055-N2059 PolarHBondContact O-OD1 2.63Å
2056	N	52	Low	44.2	Very low	106 Å²	106	101.8 Å²	101.8	57%	0.567	53%	0.533	S	S	*	.	H	α-helix	trans	-64.5	-42.6	-178.6	-68	-20.9	0	0	0	111.4	E2052 M2058 N2059	E2052-N2056 VanDerWaalsContact O-CB 3.31Å; E2052-N2056 WeakPolarHBondContact O-CB 3.36Å; E2052-N2056 PolarHBondContact O-N 2.64Å; E2052-N2056 PolarHBondContact O-ND2 3.2Å; N2056-M2058 PolarHBondContact O-N 3.42Å; N2056-M2058 VanDerWaalsContact O-N 3.14Å; N2056-N2059 PolarHBondContact O-N 2.8Å
2057	A	45.3	Very low	43.4	Very low	37 Å²	37	99.8 Å²	99.8	31%	0.306	53%	0.528	S	S	.	.	H	α-helix	trans	-65.8	-12.1	172.8	0	0	0	0	0	114.4	E2053 A2055	E2053-A2057 WeakPolarHBondContact O-CB 3.45Å; E2053-A2057 PolarHBondContact O-N 3.18Å; A2055-A2057 PolarHBondContact O-N 2.85Å
2058	M	42.1	Very low	42.7	Very low	51 Å²	51	104.2 Å²	104.2	25%	0.251	56%	0.556	S	S	.	*	H	α-helix	trans	-102.9	-16.5	176.8	-73.8	-172.4	70.3	0	0	114.3	R2040 L2054 A2055 N2056 Y2080	R2040-M2058 HydrophobicContact CG-SD 4.45Å; R2040-M2058 VanDerWaalsContact CZ-CE 3.42Å; R2040-M2058 VanDerWaalsContact CZ-SD 3.54Å; L2054-M2058 HydrophobicContact CD1-SD 4.47Å; L2054-M2058 HydrophobicContact CG-SD 4.37Å; L2054-M2058 WeakPolarHBondContact O-CB 3.17Å; L2054-M2058 WeakPolarHBondContact O-CG 3.22Å; L2054-M2058 PolarHBondContact O-N 3.26Å; A2055-M2058 CarbonylContact O-C 3.5Å; A2055-M2058 WeakPolarHBondContact O-CA 3.45Å; A2055-M2058 WeakPolarHBondContact O-CB 3.44Å; A2055-M2058 PolarHBondContact O-N 3.45Å; N2056-M2058 PolarHBondContact O-N 3.42Å; N2056-M2058 VanDerWaalsContact O-N 3.14Å; M2058-Y2080 HydrophobicContact CE-CD2 4.36Å; M2058-Y2080 HydrophobicContact CE-CE2 3.7Å; M2058-Y2080 HydrophobicContact SD-CE2 4.36Å
2059	N	40.6	Very low	42.3	Very low	116 Å²	116	101 Å²	101	62%	0.62	54%	0.539	S	S	*	.	H	α-helix	trans	-86	-12.2	-179.6	-71.6	-8.9	0	0	0	113.6	A2055 N2056 S2061	A2055-N2059 VanDerWaalsContact O-CG 3.32Å; A2055-N2059 PolarHBondContact O-N 2.94Å; A2055-N2059 PolarHBondContact O-OD1 2.63Å; N2056-N2059 PolarHBondContact O-N 2.8Å; N2059-S2061 PolarHBondContact O-N 2.86Å
2060	E	34.4	Very low	40.9	Very low	158 Å²	158	105 Å²	105	74%	0.738	57%	0.566	S	S	*	*			trans	-78	66.3	170.7	-64.8	-173	145.3	0	0	112.4
2061	S	34.8	Very low	39.4	Very low	81 Å²	81	105.4 Å²	105.4	57%	0.566	58%	0.578	S	S	*	*			trans	-166.1	97.1	157.9	56	0	0	0	0	112.2	N2059 D2063	N2059-S2061 PolarHBondContact O-N 2.86Å; S2061-D2063 PolarHBondContact O-N 2.88Å
2062	D	26.2	Very low	38.2	Very low	156 Å²	156	102.1 Å²	102.1	83%	0.834	56%	0.564	S	S	*	*			trans	-69.1	116.3	163.2	-55.5	-69.7	0	0	0	110.2
2063	D	32.1	Very low	37.3	Very low	158 Å²	158	97.7 Å²	97.7	85%	0.845	55%	0.545	S	S	*	.			trans	176.2	82.8	160.1	-98.8	-24.4	0	0	0	107.8	S2061	S2061-D2063 PolarHBondContact O-N 2.88Å
2064	V	29	Very low	36.6	Very low	113 Å²	113	97.5 Å²	97.5	69%	0.685	55%	0.547	S	S	*	.			trans	-92.3	-27.5	-168.2	178.2	0	0	0	0	113.8	D2066	V2064-D2066 PolarHBondContact O-N 2.98Å
2065	D	29.5	Very low	35.8	Very low	168 Å²	168	102.2 Å²	102.2	90%	0.898	57%	0.571	S	S	*	*	S	Bend	trans	-88.3	8.7	-164.1	-66.4	-43.9	0	0	0	116.4
2066	D	28.6	Very low	35.1	Very low	94 Å²	94	107.1 Å²	107.1	50%	0.503	59%	0.588	S	S	.	*			trans	-117	23.2	-166.6	-159.3	12.3	0	0	0	114.4	V2064 K2072	V2064-D2066 PolarHBondContact O-N 2.98Å; D2066-K2072 IonicContact OD1-NZ 2.79Å; D2066-K2072 PolarHBondContact OD1-NZ 2.86Å; D2066-K2072 IonicContact OD2-NZ 3.43Å; D2066-K2072 PolarHBondContact OD2-NZ 2.92Å
2067	I	30	Very low	34.4	Very low	102 Å²	102	106.2 Å²	106.2	52%	0.523	58%	0.58	S	S	.	*			trans	-86.6	-17.9	-170.9	-67.1	176.9	0	0	0	113.8	N2069	I2067-N2069 PolarHBondContact O-N 3.48Å
2068	L	28.7	Very low	34.3	Very low	168 Å²	168	109.5 Å²	109.5	88%	0.88	59%	0.591	S	S	*	*			trans	-72.3	25.7	-176.1	-81.9	167	0	0	0	115.7
2069	N	33.6	Very low	34.3	Very low	86 Å²	86	114 Å²	114	46%	0.46	61%	0.609	S	S	.	*			trans	-129.8	103	-174.4	-135.6	-56.2	0	0	0	111.6	I2067 G2071 K2072	I2067-N2069 PolarHBondContact O-N 3.48Å; N2069-G2071 PolarHBondContact O-N 2.85Å; N2069-G2071 VanDerWaalsContact O-N 3.08Å; N2069-K2072 HydrophobicContact CB-CB 4.45Å; N2069-K2072 HydrophobicContact CB-CD 4.04Å; N2069-K2072 HydrophobicContact CB-CG 4.14Å; N2069-K2072 WeakPolarHBondContact O-CB 3.21Å; N2069-K2072 PolarHBondContact O-N 2.98Å
2070	P	28.8	Very low	34.5	Very low	106 Å²	106	109.9 Å²	109.9	69%	0.688	59%	0.585	S	S	*	*	H	α-helix	trans	-63	-24.4	-169.7	22.5	-32.8	0	0	0	113.9	K2072 I2073	P2070-K2072 VanDerWaalsContact C-N 3.3Å; P2070-K2072 PolarHBondContact O-N 3.4Å; P2070-I2073 PolarHBondContact O-N 2.84Å
2071	G	31.8	Very low	34.8	Very low	58 Å²	58	109.7 Å²	109.7	60%	0.598	58%	0.582	S	S	*	*	H	α-helix	trans	-67.8	-24.6	172	0	0	0	0	0	114.4	N2069	N2069-G2071 PolarHBondContact O-N 2.85Å; N2069-G2071 VanDerWaalsContact O-N 3.08Å
2072	K	36.4	Very low	35.2	Very low	88 Å²	88	108.1 Å²	108.1	38%	0.383	57%	0.574	S	S	.	*	H	α-helix	trans	-80	-27.6	176.3	-68.4	-177.8	-176.4	176.3	0	112.4	D2066 N2069 P2070 L2074 L2075 F2076	D2066-K2072 IonicContact OD1-NZ 2.79Å; D2066-K2072 PolarHBondContact OD1-NZ 2.86Å; D2066-K2072 IonicContact OD2-NZ 3.43Å; D2066-K2072 PolarHBondContact OD2-NZ 2.92Å; N2069-K2072 HydrophobicContact CB-CB 4.45Å; N2069-K2072 HydrophobicContact CB-CD 4.04Å; N2069-K2072 HydrophobicContact CB-CG 4.14Å; N2069-K2072 WeakPolarHBondContact O-CB 3.21Å; N2069-K2072 PolarHBondContact O-N 2.98Å; P2070-K2072 VanDerWaalsContact C-N 3.3Å; P2070-K2072 PolarHBondContact O-N 3.4Å; K2072-L2074 PolarHBondContact O-N 2.88Å; K2072-L2075 CarbonylContact O-C 3.44Å; K2072-L2075 WeakPolarHBondContact O-CA 3.35Å; K2072-L2075 WeakPolarHBondContact O-CB 3.2Å; K2072-L2075 PolarHBondContact O-N 2.87Å; K2072-F2076 PolarHBondContact O-N 3.16Å
2073	I	36.9	Very low	36	Very low	54 Å²	54	106 Å²	106	28%	0.277	56%	0.557	S	S	.	*	H	α-helix	trans	-58.9	-45	-177.7	-61	179	0	0	0	111.5	M2032 P2070 L2075 F2076 Q2077	M2032-I2073 HydrophobicContact CE-CG2 3.61Å; M2032-I2073 HydrophobicContact SD-CG2 4.23Å; P2070-I2073 PolarHBondContact O-N 2.84Å; I2073-L2075 VanDerWaalsContact C-N 3.29Å; I2073-L2075 PolarHBondContact O-N 3.41Å; I2073-F2076 PolarHBondContact O-N 3.18Å; I2073-Q2077 WeakPolarHBondContact O-CG 3.45Å; I2073-Q2077 PolarHBondContact O-N 2.93Å
2074	L	36.4	Very low	36.5	Very low	113 Å²	113	99.4 Å²	99.4	59%	0.592	52%	0.524	S	S	*	.	H	α-helix	trans	-64	-36.3	176.5	-158.2	81	0	0	0	111.9	K2072 Q2077 I2078	K2072-L2074 PolarHBondContact O-N 2.88Å; L2074-Q2077 PolarHBondContact O-N 3.17Å; L2074-I2078 WeakPolarHBondContact O-CD1 3.42Å; L2074-I2078 VanDerWaalsContact O-CG1 3.27Å; L2074-I2078 WeakPolarHBondContact O-CG1 3.41Å; L2074-I2078 PolarHBondContact O-N 3.34Å
2075	L	39.2	Very low	37.1	Very low	104 Å²	104	101.5 Å²	101.5	55%	0.545	52%	0.52	S	S	.	.	H	α-helix	trans	-71.4	-34.2	177.6	-122.8	164.6	0	0	0	111.8	K2072 I2073 K2079	K2072-L2075 CarbonylContact O-C 3.44Å; K2072-L2075 WeakPolarHBondContact O-CA 3.35Å; K2072-L2075 WeakPolarHBondContact O-CB 3.2Å; K2072-L2075 PolarHBondContact O-N 2.87Å; I2073-L2075 VanDerWaalsContact C-N 3.29Å; I2073-L2075 PolarHBondContact O-N 3.41Å; L2075-K2079 WeakPolarHBondContact O-CB 3.07Å; L2075-K2079 WeakPolarHBondContact O-CG 3.19Å; L2075-K2079 PolarHBondContact O-N 3.46Å
2076	F	39.8	Very low	37.8	Very low	133 Å²	133	98 Å²	98	58%	0.583	50%	0.502	S	S	*	.	H	α-helix	trans	-68	-43.1	170.8	-170.3	-89.9	0	0	0	111.2	K2072 I2073 I2078 K2079 Y2080	K2072-F2076 PolarHBondContact O-N 3.16Å; I2073-F2076 PolarHBondContact O-N 3.18Å; F2076-I2078 VanDerWaalsContact C-N 3.34Å; F2076-I2078 PolarHBondContact O-N 2.67Å; F2076-K2079 CarbonylContact O-C 3.57Å; F2076-K2079 PolarHBondContact O-N 3.17Å; F2076-Y2080 VanDerWaalsContact O-CB 3.28Å; F2076-Y2080 WeakPolarHBondContact O-CB 2.97Å; F2076-Y2080 PolarHBondContact O-N 3.49Å
2077	Q	37.4	Very low	38.5	Very low	87 Å²	87	96 Å²	96	41%	0.407	49%	0.491	S	S	.	.	H	α-helix	trans	-60.3	-41.3	173.1	-74.8	180	-16.3	0	0	112.4	I2073 L2074 Y2080 F2081	I2073-Q2077 WeakPolarHBondContact O-CG 3.45Å; I2073-Q2077 PolarHBondContact O-N 2.93Å; L2074-Q2077 PolarHBondContact O-N 3.17Å; Q2077-Y2080 PolarHBondContact O-N 3.06Å; Q2077-F2081 PolarHBondContact O-N 2.63Å
2078	I	43.2	Very low	39.1	Very low	105 Å²	105	92.7 Å²	92.7	54%	0.538	47%	0.474	S	S	.	.	H	α-helix	trans	-65	-43.8	174.6	-69.7	163.5	0	0	0	111.1	L2074 F2076 F2081 A2082	L2074-I2078 WeakPolarHBondContact O-CD1 3.42Å; L2074-I2078 VanDerWaalsContact O-CG1 3.27Å; L2074-I2078 WeakPolarHBondContact O-CG1 3.41Å; L2074-I2078 PolarHBondContact O-N 3.34Å; F2076-I2078 VanDerWaalsContact C-N 3.34Å; F2076-I2078 PolarHBondContact O-N 2.67Å; I2078-F2081 PolarHBondContact O-N 2.74Å; I2078-A2082 WeakPolarHBondContact O-CB 3.45Å; I2078-A2082 PolarHBondContact O-N 3.25Å
2079	K	42.9	Very low	39.6	Very low	145 Å²	145	88 Å²	88	63%	0.63	45%	0.452	S	S	*	.	H	α-helix	trans	-62.5	-40.5	173.4	-80.9	-175.6	174.4	-175	0	112.3	L2075 F2076 A2082 K2083	L2075-K2079 WeakPolarHBondContact O-CB 3.07Å; L2075-K2079 WeakPolarHBondContact O-CG 3.19Å; L2075-K2079 PolarHBondContact O-N 3.46Å; F2076-K2079 CarbonylContact O-C 3.57Å; F2076-K2079 PolarHBondContact O-N 3.17Å; K2079-A2082 PolarHBondContact O-N 3.05Å; K2079-K2083 PolarHBondContact O-N 2.71Å
2080	Y	44.5	Very low	40.1	Very low	30 Å²	30	93.9 Å²	93.9	12%	0.118	47%	0.468	C	S	.	.	H	α-helix	trans	-63.7	-47.5	177.8	177.8	-103.8	0	0	0	111	L2036 T2039 M2058 F2076 Q2077 A2082 K2083 C2084	L2036-Y2080 HydrophobicContact CD2-CD1 4.27Å; L2036-Y2080 HydrophobicContact CD2-CE1 3.78Å; L2036-Y2080 HydrophobicContact CD2-CE2 4.2Å; T2039-Y2080 HydrophobicContact CG2-CE1 4.23Å; M2058-Y2080 HydrophobicContact CE-CD2 4.36Å; M2058-Y2080 HydrophobicContact CE-CE2 3.7Å; M2058-Y2080 HydrophobicContact SD-CE2 4.36Å; F2076-Y2080 VanDerWaalsContact O-CB 3.28Å; F2076-Y2080 WeakPolarHBondContact O-CB 2.97Å; F2076-Y2080 PolarHBondContact O-N 3.49Å; Q2077-Y2080 PolarHBondContact O-N 3.06Å; Y2080-A2082 VanDerWaalsContact C-N 3.31Å; Y2080-A2082 PolarHBondContact O-N 3.48Å; Y2080-K2083 PolarHBondContact O-N 3.47Å; Y2080-C2084 WeakPolarHBondContact O-CB 3.32Å; Y2080-C2084 PolarHBondContact O-N 2.8Å; Y2080-C2084 PolarHBondContact O-SG 3.43Å
2081	F	41.8	Very low	40.6	Very low	155 Å²	155	92.4 Å²	92.4	68%	0.68	46%	0.457	S	S	*	.	H	α-helix	trans	-58.9	-41.2	172	-104.9	-88.1	0	0	0	112.1	Q2077 I2078 Y2085	Q2077-F2081 PolarHBondContact O-N 2.63Å; I2078-F2081 PolarHBondContact O-N 2.74Å; F2081-Y2085 WeakPolarHBondContact O-CB 3.34Å; F2081-Y2085 PolarHBondContact O-N 2.8Å
2082	A	42.4	Very low	40.5	Very low	48 Å²	48	92.6 Å²	92.6	40%	0.397	44%	0.444	S	S	.	.	H	α-helix	trans	-68.1	-41.2	177.2	0	0	0	0	0	113.4	I2078 K2079 Y2080 Y2085 N2086	I2078-A2082 WeakPolarHBondContact O-CB 3.45Å; I2078-A2082 PolarHBondContact O-N 3.25Å; K2079-A2082 PolarHBondContact O-N 3.05Å; Y2080-A2082 VanDerWaalsContact C-N 3.31Å; Y2080-A2082 PolarHBondContact O-N 3.48Å; A2082-Y2085 PolarHBondContact O-N 2.85Å; A2082-N2086 WeakPolarHBondContact O-CB 3.39Å; A2082-N2086 PolarHBondContact O-N 3.38Å
2083	K	43.5	Very low	40.2	Very low	110 Å²	110	91.8 Å²	91.8	48%	0.478	45%	0.454	S	S	.	.	H	α-helix	trans	-63.7	-44.7	174.4	-125.1	-168.9	-178.9	-166.1	0	110.1	K2079 Y2080 N2086 L2087	K2079-K2083 PolarHBondContact O-N 2.71Å; Y2080-K2083 PolarHBondContact O-N 3.47Å; K2083-N2086 PolarHBondContact O-N 2.68Å; K2083-L2087 WeakPolarHBondContact O-CB 3.11Å; K2083-L2087 PolarHBondContact O-N 3.09Å
2084	C	41.9	Very low	39.9	Very low	20 Å²	20	94 Å²	94	14%	0.135	47%	0.472	C	S	.	.	H	α-helix	trans	-63.8	-43.4	176.3	-65.7	0	0	0	0	112.4	Y2080 N2086 L2087 I2088	Y2080-C2084 WeakPolarHBondContact O-CB 3.32Å; Y2080-C2084 PolarHBondContact O-N 2.8Å; Y2080-C2084 PolarHBondContact O-SG 3.43Å; C2084-N2086 PolarHBondContact O-N 3.41Å; C2084-L2087 PolarHBondContact O-N 2.98Å; C2084-I2088 WeakPolarHBondContact O-CB 3.42Å; C2084-I2088 WeakPolarHBondContact O-CD1 3.16Å; C2084-I2088 VanDerWaalsContact O-CG1 3.26Å; C2084-I2088 WeakPolarHBondContact O-CG1 3.45Å; C2084-I2088 PolarHBondContact O-N 3.04Å
2085	Y	41.6	Very low	39.4	Very low	157 Å²	157	96.7 Å²	96.7	62%	0.616	48%	0.481	S	S	*	.	H	α-helix	trans	-60.8	-45	176.2	-173.2	-90.3	0	0	0	111.2	F2081 A2082 L2087 I2088 T2089	F2081-Y2085 WeakPolarHBondContact O-CB 3.34Å; F2081-Y2085 PolarHBondContact O-N 2.8Å; A2082-Y2085 PolarHBondContact O-N 2.85Å; Y2085-L2087 PolarHBondContact O-N 3.01Å; Y2085-I2088 PolarHBondContact O-N 2.75Å; Y2085-T2089 HydrophobicContact CD1-CG2 4.29Å; Y2085-T2089 HydrophobicContact CE1-CG2 3.97Å; Y2085-T2089 PolarHBondContact O-N 2.9Å; Y2085-T2089 PolarHBondContact O-OG1 2.84Å
2086	N	44.7	Very low	38.8	Very low	94 Å²	94	96.2 Å²	96.2	50%	0.503	48%	0.484	S	S	.	.	H	α-helix	trans	-64.7	-35.7	175.9	-75.5	-16.3	0	0	0	113	A2082 K2083 C2084 T2089 R2090	A2082-N2086 WeakPolarHBondContact O-CB 3.39Å; A2082-N2086 PolarHBondContact O-N 3.38Å; K2083-N2086 PolarHBondContact O-N 2.68Å; C2084-N2086 PolarHBondContact O-N 3.41Å; N2086-T2089 WeakPolarHBondContact CA-OG1 3.23Å; N2086-T2089 PolarHBondContact O-OG1 2.78Å; N2086-R2090 WeakPolarHBondContact O-CG 3.4Å; N2086-R2090 PolarHBondContact O-N 2.83Å
2087	L	43.9	Very low	38.2	Very low	53 Å²	53	94.1 Å²	94.1	28%	0.277	49%	0.486	S	S	.	.	H	α-helix	trans	-67.9	-44.2	175.3	-166.3	70.8	0	0	0	111.5	L2054 K2083 C2084 Y2085 R2090 T2091	L2054-L2087 HydrophobicContact CD1-CD2 4.13Å; K2083-L2087 WeakPolarHBondContact O-CB 3.11Å; K2083-L2087 PolarHBondContact O-N 3.09Å; C2084-L2087 PolarHBondContact O-N 2.98Å; Y2085-L2087 PolarHBondContact O-N 3.01Å; L2087-R2090 PolarHBondContact O-N 3.2Å; L2087-T2091 PolarHBondContact O-N 2.73Å; L2087-T2091 VanDerWaalsContact O-N 3.07Å; L2087-T2091 PolarHBondContact O-OG1 3.49Å
2088	I	42.4	Very low	37.7	Very low	33 Å²	33	96.4 Å²	96.4	17%	0.169	51%	0.506	C	S	.	.	H	α-helix	trans	-64.1	-39.9	176.2	-69.1	163.2	0	0	0	110.9	Y2047 C2084 Y2085 R2090 T2091 L2092	Y2047-I2088 HydrophobicContact CD2-CD1 4.39Å; Y2047-I2088 HydrophobicContact CD2-CG1 4.23Å; Y2047-I2088 HydrophobicContact CE1-CG1 4.45Å; Y2047-I2088 HydrophobicContact CE1-CG2 3.91Å; Y2047-I2088 HydrophobicContact CE2-CD1 3.64Å; Y2047-I2088 HydrophobicContact CE2-CG1 3.87Å; C2084-I2088 WeakPolarHBondContact O-CB 3.42Å; C2084-I2088 WeakPolarHBondContact O-CD1 3.16Å; C2084-I2088 VanDerWaalsContact O-CG1 3.26Å; C2084-I2088 WeakPolarHBondContact O-CG1 3.45Å; C2084-I2088 PolarHBondContact O-N 3.04Å; Y2085-I2088 PolarHBondContact O-N 2.75Å; I2088-R2090 PolarHBondContact O-N 3.21Å; I2088-T2091 WeakPolarHBondContact CA-OG1 3Å; I2088-T2091 PolarHBondContact O-N 3.27Å; I2088-T2091 PolarHBondContact O-OG1 3.02Å; I2088-T2091 VanDerWaalsContact O-OG1 3.09Å; I2088-L2092 HydrophobicContact CG2-CD1 3.76Å; I2088-L2092 WeakPolarHBondContact O-CB 3.34Å; I2088-L2092 VanDerWaalsContact O-CG 3.28Å; I2088-L2092 WeakPolarHBondContact O-CG 3.22Å; I2088-L2092 PolarHBondContact O-N 3.34Å
2089	T	39.1	Very low	37	Very low	68 Å²	68	94.6 Å²	94.6	42%	0.417	50%	0.503	S	S	.	.	H	α-helix	trans	-71	-27.5	175.3	49.8	0	0	0	0	113.6	Y2085 N2086	Y2085-T2089 HydrophobicContact CD1-CG2 4.29Å; Y2085-T2089 HydrophobicContact CE1-CG2 3.97Å; Y2085-T2089 PolarHBondContact O-N 2.9Å; Y2085-T2089 PolarHBondContact O-OG1 2.84Å; N2086-T2089 WeakPolarHBondContact CA-OG1 3.23Å; N2086-T2089 PolarHBondContact O-OG1 2.78Å
2090	R	42.5	Very low	36.3	Very low	210 Å²	210	94.1 Å²	94.1	79%	0.792	50%	0.501	S	S	*	.	H	α-helix	trans	-72.9	-33	173.3	-80.4	178.8	172.6	-173.6	-3.7	112.9	N2086 L2087 I2088 L2092	N2086-R2090 WeakPolarHBondContact O-CG 3.4Å; N2086-R2090 PolarHBondContact O-N 2.83Å; L2087-R2090 PolarHBondContact O-N 3.2Å; I2088-R2090 PolarHBondContact O-N 3.21Å; R2090-L2092 VanDerWaalsContact C-N 3.34Å
2091	T	40.1	Very low	35.6	Very low	75 Å²	75	98.6 Å²	98.6	46%	0.46	53%	0.527	S	S	.	.	H	α-helix	trans	-83	-5.5	179.4	44.9	0	0	0	0	114.3	I2049 L2087 I2088	I2049-T2091 HydrophobicContact CD1-CG2 4.19Å; L2087-T2091 PolarHBondContact O-N 2.73Å; L2087-T2091 VanDerWaalsContact O-N 3.07Å; L2087-T2091 PolarHBondContact O-OG1 3.49Å; I2088-T2091 WeakPolarHBondContact CA-OG1 3Å; I2088-T2091 PolarHBondContact O-N 3.27Å; I2088-T2091 PolarHBondContact O-OG1 3.02Å; I2088-T2091 VanDerWaalsContact O-OG1 3.09Å
2092	L	30.3	Very low	35.1	Very low	62 Å²	62	96.8 Å²	96.8	33%	0.325	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	11.8	-177.3	-70.2	175.7	0	0	0	114.6	I856 I2088 R2090	I856-L2092 HydrophobicContact CD1-CB 4.02Å; I856-L2092 HydrophobicContact CD1-CD1 4.12Å; I856-L2092 HydrophobicContact CD1-CD2 4.1Å; I856-L2092 HydrophobicContact CD1-CG 4.31Å; I856-L2092 HydrophobicContact CG1-CD1 4.27Å; I856-L2092 HydrophobicContact CG1-CD2 4.1Å; I2088-L2092 HydrophobicContact CG2-CD1 3.76Å; I2088-L2092 WeakPolarHBondContact O-CB 3.34Å; I2088-L2092 VanDerWaalsContact O-CG 3.28Å; I2088-L2092 WeakPolarHBondContact O-CG 3.22Å; I2088-L2092 PolarHBondContact O-N 3.34Å; R2090-L2092 VanDerWaalsContact C-N 3.34Å
2093	A	29.8	Very low	34.5	Very low	72 Å²	72	101.1 Å²	101.1	60%	0.595	54%	0.536	S	S	*	.	S	Bend	trans	-81.2	126.8	169	0	0	0	0	0	110.5
2094	P	30.8	Very low	33.9	Very low	101 Å²	101	99.7 Å²	99.7	66%	0.656	53%	0.533	S	S	*	.			trans	-69.5	136	173.2	29.2	-33.3	0	0	0	110.3	P2096	P2094-P2096 WeakPolarHBondContact O-CD 3.33Å
2095	Q	25.1	Very low	33.3	Very low	169 Å²	169	104 Å²	104	79%	0.79	55%	0.551	S	S	*	*			trans	-55.6	115.2	176.6	-70.4	-88.8	-9.9	0	0	111.4
2096	P	27.7	Very low	32.6	Very low	93 Å²	93	102.6 Å²	102.6	60%	0.604	55%	0.554	S	S	*	*			trans	-69.7	155.1	153.3	33.4	-32.9	0	0	0	108.7	P2094 T2098	P2094-P2096 WeakPolarHBondContact O-CD 3.33Å; P2096-T2098 PolarHBondContact O-N 3.05Å
2097	S	27	Very low	32	Very low	89 Å²	89	105.8 Å²	105.8	62%	0.622	57%	0.566	S	S	*	*			trans	-58.4	135.6	-177.3	52.1	0	0	0	0	112.5	S2099	S2097-S2099 PolarHBondContact O-N 2.98Å; S2097-S2099 PolarHBondContact OG-OG 3.27Å
2098	T	27.1	Very low	31.3	Very low	135 Å²	135	109.9 Å²	109.9	83%	0.828	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	73.7	177.1	53.1	0	0	0	0	111.5	P2096	P2096-T2098 PolarHBondContact O-N 3.05Å
2099	S	27.7	Very low	30.5	Very low	68 Å²	68	115.9 Å²	115.9	48%	0.476	61%	0.614	S	S	.	*	T	Hydrogen-bonded Turn	trans	-152.3	-38.6	175.5	51.8	0	0	0	0	110.6	S2097	S2097-S2099 PolarHBondContact O-N 2.98Å; S2097-S2099 PolarHBondContact OG-OG 3.27Å
2100	F	28.5	Very low	30	Very low	135 Å²	135	117 Å²	117	59%	0.592	63%	0.625	S	S	*	*	H	α-helix	trans	-75.3	-30.3	-172.9	-162.2	-112.3	0	0	0	114.4	I2104	F2100-I2104 HydrophobicContact CD1-CD1 3.92Å; F2100-I2104 HydrophobicContact CE1-CD1 3.59Å; F2100-I2104 HydrophobicContact CZ-CD1 4.08Å
2101	L	29.1	Very low	29.3	Very low	124 Å²	124	115 Å²	115	65%	0.649	63%	0.629	S	S	*	*	H	α-helix	trans	-77.4	-26.8	-177.3	-77.8	169.7	0	0	0	114	Q2105	L2101-Q2105 PolarHBondContact O-N 3.35Å
2102	N	32.3	Very low	28.7	Very low	117 Å²	117	118.5 Å²	118.5	63%	0.626	64%	0.644	S	S	*	*	H	α-helix	trans	-74.5	-39.4	177.6	-67.9	18.3	0	0	0	111.2	I2104 Q2105 D2106	N2102-I2104 PolarHBondContact O-N 3.08Å; N2102-Q2105 PolarHBondContact O-N 2.93Å; N2102-Q2105 VanDerWaalsContact O-N 3.16Å; N2102-D2106 PolarHBondContact O-N 3Å
2103	Q	29.5	Very low	28.6	Very low	139 Å²	139	120.9 Å²	120.9	65%	0.65	66%	0.657	S	S	*	*	H	α-helix	trans	-65.1	-18.6	176.3	-85.7	-175.4	-39.4	0	0	114.3
2104	I	30.9	Very low	28.6	Very low	79 Å²	79	125.4 Å²	125.4	41%	0.405	66%	0.664	S	S	.	*	H	α-helix	trans	-90.9	-28.6	175.4	-66	174.5	0	0	0	111.4	F2100 N2102 L2108	F2100-I2104 HydrophobicContact CD1-CD1 3.92Å; F2100-I2104 HydrophobicContact CE1-CD1 3.59Å; F2100-I2104 HydrophobicContact CZ-CD1 4.08Å; N2102-I2104 PolarHBondContact O-N 3.08Å; I2104-L2108 HydrophobicContact CG2-CD1 4.27Å
2105	Q	28.7	Very low	28.5	Very low	111 Å²	111	128.4 Å²	128.4	52%	0.519	67%	0.674	S	S	.	*	H	α-helix	trans	-68.5	-50.4	172.3	-168.3	70.1	28.3	0	0	110.9	L2101 N2102 H2107 L2108 E2109	L2101-Q2105 PolarHBondContact O-N 3.35Å; N2102-Q2105 PolarHBondContact O-N 2.93Å; N2102-Q2105 VanDerWaalsContact O-N 3.16Å; Q2105-H2107 PolarHBondContact O-N 3.19Å; Q2105-H2107 VanDerWaalsContact O-N 3.11Å; Q2105-L2108 PolarHBondContact O-N 3.5Å; Q2105-L2108 VanDerWaalsContact O-N 3.1Å; Q2105-E2109 PolarHBondContact NE2-OE1 2.87Å
2106	D	28.2	Very low	28.6	Very low	128 Å²	128	129.3 Å²	129.3	68%	0.684	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-20.9	-177.2	-67.1	-21.7	0	0	0	113.3	N2102	N2102-D2106 PolarHBondContact O-N 3Å
2107	H	31.6	Very low	28.6	Very low	160 Å²	160	133.4 Å²	133.4	74%	0.741	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-5.3	178.5	-104.1	-63.2	0	0	0	115.1	Q2105	Q2105-H2107 PolarHBondContact O-N 3.19Å; Q2105-H2107 VanDerWaalsContact O-N 3.11Å
2108	L	28.7	Very low	28.7	Very low	140 Å²	140	137.9 Å²	137.9	73%	0.733	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.5	-9.4	-178.5	-80.2	169.1	0	0	0	114.8	I2104 Q2105 S2110	I2104-L2108 HydrophobicContact CG2-CD1 4.27Å; Q2105-L2108 PolarHBondContact O-N 3.5Å; Q2105-L2108 VanDerWaalsContact O-N 3.1Å; L2108-S2110 VanDerWaalsContact C-N 3.34Å
2109	E	26.2	Very low	28.8	Very low	158 Å²	158	137.4 Å²	137.4	74%	0.738	69%	0.692	S	S	*	*	S	Bend	trans	-92.6	9.8	171.9	-68.1	-177.6	-172.2	0	0	113.2	Q2105	Q2105-E2109 PolarHBondContact NE2-OE1 2.87Å
2110	S	27.7	Very low	28.8	Very low	92 Å²	92	140.5 Å²	140.5	64%	0.643	70%	0.699	S	S	*	*			trans	-125.8	61.9	-179.4	-179.3	0	0	0	0	114	L2108	L2108-S2110 VanDerWaalsContact C-N 3.34Å
2111	I	28.8	Very low	28.9	Very low	169 Å²	169	140.4 Å²	140.4	87%	0.867	70%	0.703	S	S	*	*			trans	-153.9	125.1	136.2	-98	146.9	0	0	0	107.1
2112	N	27.7	Very low	28.9	Very low	148 Å²	148	141.2 Å²	141.2	79%	0.791	71%	0.707	S	S	*	*			trans	-113.6	160.4	-176.5	-137.4	-4.3	0	0	0	109.6
2113	D	27.7	Very low	28.8	Very low	111 Å²	111	144 Å²	144	59%	0.594	72%	0.719	S	S	*	*			trans	63.3	107.2	157.5	-92.5	-1	0	0	0	120.6
2114	K	29.4	Very low	29.1	Very low	167 Å²	167	145.5 Å²	145.5	73%	0.726	72%	0.718	S	S	*	*			trans	71.1	136.7	151.3	-53.8	135.9	-168.6	155.4	0	116.1
2115	D	29.3	Very low	28.8	Very low	165 Å²	165	150.5 Å²	150.5	88%	0.882	74%	0.74	S	S	*	*			cis	-105.2	141.2	15.2	-76.7	-50.9	0	0	0	115.3
2116	H	27.7	Very low	28.6	Very low	188 Å²	188	153.9 Å²	153.9	87%	0.87	75%	0.753	S	S	*	*			trans	-125.5	47.4	-171.8	-162.2	-63.8	0	0	0	111.5
2117	Q	26.4	Very low	28.6	Very low	179 Å²	179	156.4 Å²	156.4	84%	0.836	76%	0.758	S	S	*	*			trans	-139.8	1.6	-169.3	-130	172.7	30.3	0	0	119.7
2118	E	29.6	Very low	28.2	Very low	183 Å²	183	155.9 Å²	155.9	86%	0.855	75%	0.749	S	S	*	*	S	Bend	trans	-104.3	-16.2	174.6	-85.7	-156.7	135	0	0	116.2
2119	L	29.7	Very low	28.1	Very low	125 Å²	125	158.7 Å²	158.7	65%	0.654	76%	0.759	S	S	*	*	S	Bend	trans	-101.5	-0.7	-174.7	-102.4	154.6	0	0	0	115.9	I2121 L2122	L2119-I2121 PolarHBondContact O-N 3.49Å; L2119-L2122 HydrophobicContact CD2-CB 4.01Å; L2119-L2122 HydrophobicContact CD2-CD1 4.4Å
2120	E	27.5	Very low	28.1	Very low	133 Å²	133	156.2 Å²	156.2	62%	0.621	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-1.5	172.1	-144.1	-142.9	122	0	0	113.8	R2124	E2120-R2124 PolarHBondContact O-NE 2.61Å; E2120-R2124 IonicContact OE1-CZ 3.59Å; E2120-R2124 IonicContact OE1-NE 2.71Å; E2120-R2124 IonicContact OE1-NH2 2.78Å; E2120-R2124 PolarHBondContact OE1-NH2 2.73Å
2121	I	31.3	Very low	28	Very low	132 Å²	132	155.9 Å²	155.9	68%	0.677	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	-31.8	178	-66.9	-178.8	0	0	0	112.5	L2119 M2123 R2124	L2119-I2121 PolarHBondContact O-N 3.49Å; I2121-M2123 PolarHBondContact O-N 3.38Å; I2121-R2124 PolarHBondContact O-N 2.8Å
2122	L	27.8	Very low	27.7	Very low	142 Å²	142	152.5 Å²	152.5	74%	0.743	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-18	179	-84.1	169.5	0	0	0	114.7	L2119	L2119-L2122 HydrophobicContact CD2-CB 4.01Å; L2119-L2122 HydrophobicContact CD2-CD1 4.4Å
2123	M	30.8	Very low	27.5	Very low	176 Å²	176	149.8 Å²	149.8	87%	0.867	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	0.9	171.8	-71.9	-76.1	-114.2	0	0	113.3	I2121	I2121-M2123 PolarHBondContact O-N 3.38Å
2124	R	34.5	Very low	27.3	Very low	169 Å²	169	156.5 Å²	156.5	64%	0.638	75%	0.75	S	S	*	*	S	Bend	trans	-88.5	137.3	169.6	-65.6	-176.6	-176.4	-163.9	1.4	110.4	E2120 I2121 K2126	E2120-R2124 PolarHBondContact O-NE 2.61Å; E2120-R2124 IonicContact OE1-CZ 3.59Å; E2120-R2124 IonicContact OE1-NE 2.71Å; E2120-R2124 IonicContact OE1-NH2 2.78Å; E2120-R2124 PolarHBondContact OE1-NH2 2.73Å; I2121-R2124 PolarHBondContact O-N 2.8Å; R2124-K2126 PolarHBondContact O-N 2.9Å
2125	Q	24.6	Very low	27.1	Very low	185 Å²	185	154.4 Å²	154.4	86%	0.864	75%	0.751	S	S	*	*			trans	-47	132.8	177.3	-52	166.6	10.5	0	0	111
2126	K	26.5	Very low	26.8	Very low	182 Å²	182	155.9 Å²	155.9	79%	0.791	75%	0.753	S	S	*	*				-152.2	147.7	51.8	-79.4	174.8	-179.9	167.8	0	110.1	R2124	R2124-K2126 PolarHBondContact O-N 2.9Å
2127	K	26.2	Very low	26.6	Very low	180 Å²	180	149.8 Å²	149.8	78%	0.783	74%	0.741	S	S	*	*				63.2	76.1	55.7	-165	-179.2	-177.1	175.4	0	113.7
2128	R	25.1	Very low	26.4	Very low	149 Å²	149	151.4 Å²	151.4	56%	0.562	74%	0.741	S	S	*	*			trans	68.2	109.4	167.7	-58.5	175.5	174.2	166.8	-5.8	117.5	L2132	R2128-L2132 HydrophobicContact CB-CD1 4.38Å; R2128-L2132 VanDerWaalsContact NH1-CD2 3.27Å
2129	Q	26	Very low	26	Very low	200 Å²	200	148.3 Å²	148.3	94%	0.935	73%	0.729	S	S	*	*	S	Bend		-127.7	143.4	109.1	-67.9	-166.4	-4.5	0	0	108.2
2130	S	25.1	Very low	25.8	Very low	106 Å²	106	150.3 Å²	150.3	74%	0.741	74%	0.735	S	S	*	*	S	Bend	cis	-70.3	121.5	0.3	36.1	0	0	0	0	114.4
2131	S	26.3	Very low	25.7	Very low	85 Å²	85	149 Å²	149	59%	0.594	74%	0.741	S	S	*	*			trans	17.2	123.3	138.9	29.1	0	0	0	0	118.8
2132	L	22.1	Very low	25.3	Very low	98 Å²	98	150.4 Å²	150.4	51%	0.513	75%	0.749	S	S	.	*				49.8	80	60	-65.5	153.6	0	0	0	111.3	R2128	R2128-L2132 HydrophobicContact CB-CD1 4.38Å; R2128-L2132 VanDerWaalsContact NH1-CD2 3.27Å
2133	S	23.7	Very low	25	Very low	91 Å²	91	148.2 Å²	148.2	64%	0.636	75%	0.745	S	S	*	*				71.7	103.1	86.6	69.9	0	0	0	0	113.7
2134	W	24.7	Very low	24.8	Very low	251 Å²	251	150.2 Å²	150.2	95%	0.951	74%	0.744	S	S	*	*			trans	-119.2	156.8	153.7	-86.3	69.4	0	0	0	108.9
2135	T	24.6	Very low	24.4	Very low	123 Å²	123	149 Å²	149	76%	0.755	75%	0.749	S	S	*	*			trans	-91.8	178.8	-179	42.4	0	0	0	0	111.7
2136	E	22.5	Very low	24.8	Very low	196 Å²	196	145.8 Å²	145.8	92%	0.916	75%	0.745	S	S	*	*			trans	79.5	142.5	155.3	-158.7	163.7	-117.3	0	0	117
2137	G	23.7	Very low	24.6	Very low	60 Å²	60	142.5 Å²	142.5	62%	0.619	74%	0.74	S	S	*	*			trans	103.3	120	160.4	0	0	0	0	0	118.2
2138	Y	22.8	Very low	24.6	Very low	214 Å²	214	141 Å²	141	84%	0.839	74%	0.74	S	S	*	*			trans	58	113.8	135.4	-77.9	-111	0	0	0	120.7
2139	L	21.8	Very low	24.6	Very low	118 Å²	118	140.6 Å²	140.6	62%	0.618	75%	0.748	S	S	*	*				42.4	110.6	101.6	-61.7	169.3	0	0	0	116.1
2140	E	23.4	Very low	24.5	Very low	166 Å²	166	136.3 Å²	136.3	78%	0.776	74%	0.736	S	S	*	*				103.9	177.6	97	-85.7	-171.1	138.9	0	0	111.9
2141	S	25.8	Very low	24.6	Very low	107 Å²	107	134.7 Å²	134.7	75%	0.748	74%	0.736	S	S	*	*			trans	61	111.1	-173.7	66.3	0	0	0	0	114.3
2142	L	22.8	Very low	24.8	Very low	160 Å²	160	141 Å²	141	84%	0.838	75%	0.746	S	S	*	*				52.2	97.4	63.7	-58.9	169.5	0	0	0	113.6
2143	S	22.9	Very low	25.3	Very low	96 Å²	96	142.9 Å²	142.9	67%	0.671	76%	0.757	S	S	*	*			trans	63.1	143.1	134.2	75.6	0	0	0	0	120.5
2144	R	25.7	Very low	25.7	Very low	219 Å²	219	149 Å²	149	83%	0.826	77%	0.767	S	S	*	*			trans	76.2	128.8	163.4	-54.7	168.4	174.5	178.2	-3.3	115.6	P2146	R2144-P2146 WeakPolarHBondContact O-CD 3.32Å
2145	N	25.5	Very low	26.1	Very low	142 Å²	142	142.5 Å²	142.5	76%	0.759	75%	0.754	S	S	*	*			trans	-51.9	132.3	156.2	-45.8	-24.7	0	0	0	109.4
2146	P	33.6	Very low	26.6	Very low	119 Å²	119	144.8 Å²	144.8	77%	0.773	76%	0.76	S	S	*	*			trans	-70.4	123.4	130.9	31.2	-27.6	0	0	0	106.8	R2144	R2144-P2146 WeakPolarHBondContact O-CD 3.32Å
2147	V	23	Very low	27	Very low	113 Å²	113	138.2 Å²	138.2	69%	0.685	74%	0.744	S	S	*	*			cis	64.8	90.5	48.2	-172.3	0	0	0	0	111.7
2148	L	26.3	Very low	27	Very low	149 Å²	149	140.2 Å²	140.2	78%	0.78	75%	0.749	S	S	*	*			trans	62.5	123.4	147.7	-52.9	172.4	0	0	0	117.9
2149	N	24.5	Very low	27.4	Very low	139 Å²	139	135.4 Å²	135.4	74%	0.743	74%	0.742	S	S	*	*			cis	81.9	147.3	41.1	-166.9	21.2	0	0	0	113.8
2150	V	23.9	Very low	27.7	Very low	111 Å²	111	133.8 Å²	133.8	67%	0.673	73%	0.731	S	S	*	*			trans	73.9	131.8	177.6	-166.3	0	0	0	0	114.1	R2152	V2150-R2152 HydrophobicContact CG1-CG 4.21Å
2151	G	27.9	Very low	27.8	Very low	72 Å²	72	129.3 Å²	129.3	74%	0.742	72%	0.718	S	S	*	*			cis	-169.3	-154.3	0.7	0	0	0	0	0	111.1
2152	R	29.8	Very low	27.9	Very low	216 Å²	216	131.2 Å²	131.2	82%	0.815	72%	0.716	S	S	*	*			cis	-161	171.4	15.9	-122.7	174.9	-172.9	148.7	-0.1	110.3	V2150	V2150-R2152 HydrophobicContact CG1-CG 4.21Å
2153	N	33.5	Very low	28.3	Very low	138 Å²	138	133.3 Å²	133.3	74%	0.738	71%	0.712	S	S	*	*			trans	77	130.4	175.8	-56.3	-30.3	0	0	0	114.7
2154	R	31.6	Very low	28.5	Very low	221 Å²	221	133.3 Å²	133.3	83%	0.834	71%	0.712	S	S	*	*			cis	-156.7	155.7	2.8	-129.8	179.1	-168.7	175.8	2.3	112.3
2155	V	33.6	Very low	28.7	Very low	114 Å²	114	133.6 Å²	133.6	69%	0.691	71%	0.713	S	S	*	*			trans	71.2	108	159.9	-179.8	0	0	0	0	117.2
2156	I	33.4	Very low	28.9	Very low	171 Å²	171	135.4 Å²	135.4	88%	0.877	72%	0.715	S	S	*	*			trans	50	127.2	142.9	-50.7	170.5	0	0	0	118
2157	G	31	Very low	28.5	Very low	57 Å²	57	135.8 Å²	135.8	59%	0.588	71%	0.71	S	S	*	*			cis	-177.2	140.5	-4.2	0	0	0	0	0	108.2
2158	S	24.9	Very low	28.8	Very low	103 Å²	103	136.6 Å²	136.6	72%	0.72	72%	0.715	S	S	*	*			cis	73.5	130.7	49.3	76.8	0	0	0	0	113.7
2159	T	30	Very low	28.9	Very low	112 Å²	112	135.2 Å²	135.2	69%	0.687	71%	0.708	S	S	*	*			trans	61.9	143.2	169.4	55	0	0	0	0	116.3
2160	E	27.7	Very low	28.9	Very low	84 Å²	84	135.5 Å²	135.5	39%	0.393	71%	0.709	S	S	.	*			cis	-159.3	130.6	-4.5	-107	155.7	178.1	0	0	106.6	S2181 S2182	E2160-S2181 VanDerWaalsContact CD-CA 3.5Å; E2160-S2181 WeakPolarHBondContact OE2-CA 2.95Å; E2160-S2181 PolarHBondContact OE2-N 3.28Å; E2160-S2182 VanDerWaalsContact CD-OG 3.3Å; E2160-S2182 WeakPolarHBondContact CG-OG 3.22Å; E2160-S2182 WeakPolarHBondContact OE1-CB 3.29Å; E2160-S2182 PolarHBondContact OE1-N 3.34Å; E2160-S2182 PolarHBondContact OE1-OG 3.44Å
2161	S	26.3	Very low	28.9	Very low	72 Å²	72	134.3 Å²	134.3	50%	0.503	71%	0.711	S	S	.	*				54	121.4	92.3	85.8	0	0	0	0	116.3
2162	E	28.3	Very low	28.9	Very low	148 Å²	148	137.9 Å²	137.9	69%	0.692	71%	0.712	S	S	*	*			trans	69.4	152.2	165.4	-47.9	-164.7	-166.9	0	0	115.3
2163	R	30.2	Very low	29	Very low	204 Å²	204	131.2 Å²	131.2	77%	0.77	70%	0.697	S	S	*	*			cis	-151.9	133.4	4.7	-149.7	176.6	-110	-170.4	-1.3	113
2164	S	27.8	Very low	28.8	Very low	96 Å²	96	131.7 Å²	131.7	67%	0.671	70%	0.7	S	S	*	*			trans	72.6	148.8	153.2	85.1	0	0	0	0	121.3
2165	R	30.3	Very low	28.9	Very low	225 Å²	225	127.7 Å²	127.7	85%	0.849	70%	0.695	S	S	*	*			trans	71.1	124.8	156.7	-63.7	174.4	-175.5	173.3	2.5	120
2166	F	28.5	Very low	28.8	Very low	179 Å²	179	126.6 Å²	126.6	79%	0.785	69%	0.692	S	S	*	*			trans	38.8	115.7	137.5	-80	-91.6	0	0	0	121.5
2167	N	26.9	Very low	28.7	Very low	127 Å²	127	127.8 Å²	127.8	68%	0.679	69%	0.691	S	S	*	*				63.2	118.1	127	-71.6	19	0	0	0	122.8
2168	V	28.3	Very low	28.8	Very low	131 Å²	131	129.3 Å²	129.3	79%	0.794	70%	0.698	S	S	*	*			trans	72	175.7	136.9	-173.6	0	0	0	0	114.7
2169	I	27.8	Very low	29.1	Very low	120 Å²	120	131.3 Å²	131.3	62%	0.615	70%	0.699	S	S	*	*			trans	77.1	136.6	176.2	-50.3	177.4	0	0	0	109.7
2170	D	24.3	Very low	29.1	Very low	144 Å²	144	133.8 Å²	133.8	77%	0.77	70%	0.703	S	S	*	*			cis	-93.6	108.4	36.4	-75.3	-55.8	0	0	0	118.7
2171	A	24.2	Very low	29.3	Very low	87 Å²	87	134 Å²	134	72%	0.719	71%	0.713	S	S	*	*	S	Bend		-123.9	90	116.8	0	0	0	0	0	109.3
2172	L	28.8	Very low	29.2	Very low	146 Å²	146	133.7 Å²	133.7	76%	0.764	71%	0.711	S	S	*	*	S	Bend	trans	76.3	146.2	161.5	-65.5	165.4	0	0	0	117.6
2173	P	30.8	Very low	29.5	Very low	77 Å²	77	131.6 Å²	131.6	50%	0.5	71%	0.711	S	S	.	*				-143.3	-158.8	-119.4	42.8	-22	0	0	0	115.5
2174	D	31	Very low	29.2	Very low	148 Å²	148	129.1 Å²	129.1	79%	0.791	71%	0.712	S	S	*	*			trans	70.3	130.1	167.1	-57.1	-33.7	0	0	0	116.4
2175	D	31.8	Very low	29.3	Very low	137 Å²	137	132.8 Å²	132.8	73%	0.733	72%	0.723	S	S	*	*			cis	-161.7	158.4	48.6	-156.2	-14.5	0	0	0	115.1
2176	S	32	Very low	29	Very low	90 Å²	90	127.2 Å²	127.2	63%	0.629	72%	0.715	S	S	*	*			trans	72.3	90.4	151.3	70.5	0	0	0	0	124.1
2177	K	32.4	Very low	28.8	Very low	197 Å²	197	121.2 Å²	121.2	86%	0.857	70%	0.703	S	S	*	*				45	123.9	118.9	-59.1	155.4	-176.3	155.2	0	121.4
2178	A	32.4	Very low	28.7	Very low	88 Å²	88	119.8 Å²	119.8	73%	0.727	70%	0.703	S	S	*	*				156.8	124.1	102.3	0	0	0	0	0	118.7
2179	I	31.3	Very low	28.6	Very low	145 Å²	145	118.4 Å²	118.4	74%	0.744	69%	0.691	S	S	*	*			trans	78.5	101.4	130.8	-63.3	174	0	0	0	122.3
2180	Q	30.3	Very low	28.6	Very low	165 Å²	165	115.2 Å²	115.2	77%	0.771	68%	0.679	S	S	*	*				70.4	139.6	128.1	-65.8	178.1	-13.8	0	0	125.2
2181	S	30.9	Very low	29	Very low	87 Å²	87	117.5 Å²	117.5	61%	0.608	69%	0.686	S	S	*	*			trans	95.9	120.4	133.9	65.6	0	0	0	0	122.5	E2160	E2160-S2181 VanDerWaalsContact CD-CA 3.5Å; E2160-S2181 WeakPolarHBondContact OE2-CA 2.95Å; E2160-S2181 PolarHBondContact OE2-N 3.28Å
2182	S	24	Very low	29.1	Very low	67 Å²	67	120.9 Å²	120.9	47%	0.469	68%	0.68	S	S	.	*			trans	-80.3	-167.7	164.2	-37.4	0	0	0	0	111.6	E2160	E2160-S2182 VanDerWaalsContact CD-OG 3.3Å; E2160-S2182 WeakPolarHBondContact CG-OG 3.22Å; E2160-S2182 WeakPolarHBondContact OE1-CB 3.29Å; E2160-S2182 PolarHBondContact OE1-N 3.34Å; E2160-S2182 PolarHBondContact OE1-OG 3.44Å
2183	P	35.6	Very low	29.7	Very low	104 Å²	104	119.6 Å²	119.6	68%	0.675	68%	0.683	S	S	*	*			cis	-132.1	-169.9	-18.9	38	-19.6	0	0	0	113.3
2184	N	24.7	Very low	29.6	Very low	151 Å²	151	123.2 Å²	123.2	81%	0.807	69%	0.686	S	S	*	*			trans	39.1	95.4	147.8	-69.4	-24.9	0	0	0	118.9
2185	L	29.7	Very low	29.4	Very low	173 Å²	173	121.1 Å²	121.1	91%	0.906	67%	0.674	S	S	*	*			trans	-161.4	170.2	135.8	-114.7	166.1	0	0	0	113.4
2186	V	24	Very low	29.3	Very low	109 Å²	109	121.2 Å²	121.2	66%	0.661	67%	0.67	S	S	*	*			trans	-79.2	140.3	169.2	173.7	0	0	0	0	109.1	E235	E235-V2186 HydrophobicContact CG-CG1 3.83Å
2187	G	23.9	Very low	29.3	Very low	52 Å²	52	121.9 Å²	121.9	54%	0.536	67%	0.666	S	S	.	*			trans	150	138	179.5	0	0	0	0	0	107.9
2188	S	24	Very low	29.2	Very low	98 Å²	98	118 Å²	118	69%	0.685	65%	0.65	S	S	*	*			cis	60.9	138	34.2	99.5	0	0	0	0	112.1
2189	D	26.9	Very low	29.2	Very low	102 Å²	102	118.3 Å²	118.3	55%	0.545	64%	0.64	S	S	.	*			cis	-123.1	141.1	13.8	-87.5	-101.3	0	0	0	111.4
2190	S	28.3	Very low	29	Very low	53 Å²	53	120.3 Å²	120.3	37%	0.371	64%	0.644	S	S	.	*				75	98.5	73.1	123.6	0	0	0	0	113.6	R2192	S2190-R2192 PolarHBondContact OG-NE 2.97Å
2191	E	31.8	Very low	28.8	Very low	192 Å²	192	122.3 Å²	122.3	90%	0.897	64%	0.644	S	S	*	*	S	Bend	trans	-137.4	119.1	131.4	-105.6	171.9	173.8	0	0	106.6
2192	R	27	Very low	28.5	Very low	158 Å²	158	127.4 Å²	127.4	60%	0.596	66%	0.655	S	S	*	*	S	Bend	cis	156.6	163.3	-8.7	-102.6	175	-175.4	-168.6	8.7	102.8	S2190 R2194	S2190-R2192 PolarHBondContact OG-NE 2.97Å; R2192-R2194 HydrophobicContact CG-CG 4.22Å
2193	S	41.7	Very low	28.5	Very low	119 Å²	119	129.2 Å²	129.2	83%	0.832	67%	0.668	S	S	*	*	S	Bend	cis	-55.2	144.7	3.3	52.2	0	0	0	0	113.8	I2195	S2193-I2195 PolarHBondContact O-N 2.8Å
2194	R	28.3	Very low	28	Very low	152 Å²	152	133.1 Å²	133.1	57%	0.574	67%	0.674	S	S	*	*			trans	-57.3	128.4	168.3	-83.7	176.5	162.4	161.7	-9	109.6	R2192	R2192-R2194 HydrophobicContact CG-CG 4.22Å
2195	I	26.5	Very low	28.1	Very low	105 Å²	105	137.1 Å²	137.1	54%	0.538	68%	0.678	S	S	.	*				61.5	142.9	122	-58.8	168.6	0	0	0	115	S2193	S2193-I2195 PolarHBondContact O-N 2.8Å
2196	E	29.3	Very low	28	Very low	139 Å²	139	140.4 Å²	140.4	65%	0.65	68%	0.678	S	S	*	*			cis	-155.4	-169.7	45	-155.9	114.8	-125.2	0	0	113	I236	I236-E2196 WeakPolarHBondContact CD1-OE1 3.1Å
2197	I	31.7	Very low	28	Very low	104 Å²	104	139.7 Å²	139.7	53%	0.533	68%	0.678	S	S	.	*			trans	-139.3	148.8	177.6	-74.5	-173.9	0	0	0	108.3	K237	K237-I2197 HydrophobicContact CD-CD1 4.17Å
2198	Q	30.7	Very low	28.1	Very low	114 Å²	114	142.4 Å²	142.4	53%	0.533	67%	0.672	S	S	.	*				164.3	168.6	117.7	-153.1	137.7	50.1	0	0	114.8	I240	I240-Q2198 HydrophobicContact CD1-CG 3.99Å
2199	D	33.3	Very low	28.2	Very low	96 Å²	96	143.4 Å²	143.4	51%	0.513	66%	0.664	S	S	.	*			trans	-81.9	146.5	-159.1	-55	-95.7	0	0	0	117.6	I240	I240-D2199 HydrophobicContact CG2-CB 4.39Å; I240-D2199 WeakPolarHBondContact CG2-OD2 3.44Å
2200	K	27.3	Very low	28.1	Very low	187 Å²	187	140.5 Å²	140.5	81%	0.813	65%	0.652	S	S	*	*				-170.8	136.8	113.5	-101.7	153	-172.3	166.7	0	114
2201	R	25.2	Very low	27.9	Very low	206 Å²	206	142.6 Å²	142.6	78%	0.777	66%	0.656	S	S	*	*			trans	50.1	125.5	147.8	-68.1	178.4	170.7	173	-3.2	120.2
2202	K	24.1	Very low	27.9	Very low	195 Å²	195	136.1 Å²	136.1	85%	0.848	64%	0.635	S	S	*	*			trans	67.2	92.1	149.6	-66.2	-173.8	175.1	-175.9	0	118.4
2203	S	24.3	Very low	27.8	Very low	105 Å²	105	131.6 Å²	131.6	73%	0.734	64%	0.638	S	S	*	*				113.6	147.6	111.4	83.5	0	0	0	0	119.8
2204	K	26.4	Very low	27.3	Very low	185 Å²	185	128.1 Å²	128.1	80%	0.804	61%	0.612	S	S	*	*			trans	55.4	97.9	149.1	-71.2	175.7	176.1	179.4	0	118.4
2205	R	25.2	Very low	27.1	Very low	236 Å²	236	124.1 Å²	124.1	89%	0.891	60%	0.604	S	S	*	*				174.4	168.4	102.6	-91	149.3	172.5	166	-4.8	110.9
2206	R	27.7	Very low	26.9	Very low	241 Å²	241	122.3 Å²	122.3	91%	0.909	60%	0.601	S	S	*	*			trans	71.7	129.3	177.7	-62.3	172.7	-178.9	165.8	-1.4	112.7
2207	S	24.6	Very low	26.9	Very low	94 Å²	94	120.9 Å²	120.9	66%	0.657	60%	0.598	S	S	*	*			cis	64.7	117.4	11.3	145.9	0	0	0	0	114.2
2208	R	25.9	Very low	26.5	Very low	109 Å²	109	120.2 Å²	120.2	41%	0.411	60%	0.595	S	S	.	*			cis	-159.6	137.4	16.3	-97.9	156.4	171.3	-173	-2.5	111.6	E256 Y257 T258	E256-R2208 IonicContact OE2-CZ 2.68Å; E256-R2208 IonicContact OE2-NH2 3.46Å; E256-R2208 PolarHBondContact OE2-NH2 3.16Å; Y257-R2208 PolarHBondContact O-NE 2.92Å; Y257-R2208 PolarHBondContact O-NH1 2.92Å; T258-R2208 WeakPolarHBondContact O-CD 3.49Å; T258-R2208 PolarHBondContact O-NH1 3.03Å
2209	K	26.7	Very low	26	Very low	120 Å²	120	120.4 Å²	120.4	52%	0.522	60%	0.6	S	S	.	*			trans	55	169.9	144.6	-96.1	-161.2	-179.4	-149.5	0	120.1	E256 Y257 E2211	E256-K2209 WeakPolarHBondContact O-CD 3.21Å; E256-K2209 WeakPolarHBondContact O-CE 3.26Å; E256-K2209 VanDerWaalsContact O-CG 3.3Å; E256-K2209 WeakPolarHBondContact O-CG 3.39Å; Y257-K2209 HydrophobicContact CD1-CB 4.05Å; Y257-K2209 HydrophobicContact CD1-CD 3.54Å; Y257-K2209 HydrophobicContact CD1-CG 4.44Å; Y257-K2209 HydrophobicContact CD2-CD 3.5Å; Y257-K2209 HydrophobicContact CE1-CB 4.25Å; Y257-K2209 HydrophobicContact CE1-CD 3.83Å; Y257-K2209 HydrophobicContact CE2-CD 3.77Å; Y257-K2209 HydrophobicContact CG-CD 3.35Å; K2209-E2211 IonicContact NZ-OE1 2.73Å; K2209-E2211 PolarHBondContact NZ-OE1 2.86Å
2210	S	24.3	Very low	25.5	Very low	40 Å²	40	123.5 Å²	123.5	28%	0.28	61%	0.609	S	S	.	*			cis	-145.9	153.9	4.4	35.7	0	0	0	0	114.9	Y257 R992	Y257-S2210 VanDerWaalsContact CE1-CB 3.45Å; Y257-S2210 WeakPolarHBondContact CE1-OG 3.08Å; Y257-S2210 VanDerWaalsContact CZ-CB 3.47Å; Y257-S2210 WeakPolarHBondContact OH-CB 3.49Å; Y257-S2210 PolarHBondContact OH-OG 2.85Å; R992-S2210 PolarHBondContact NE-O 2.72Å; R992-S2210 PolarHBondContact NH2-O 2.76Å
2211	E	24.8	Very low	25.2	Very low	97 Å²	97	119.8 Å²	119.8	45%	0.453	60%	0.602	S	S	.	*			trans	41.2	96.1	142.6	-72.3	142.9	-132.8	0	0	117.9	Y257 R992 K2209	Y257-E2211 WeakPolarHBondContact CE2-OE1 3.32Å; Y257-E2211 PolarHBondContact OH-OE2 2.86Å; Y257-E2211 VanDerWaalsContact OH-OE2 3.05Å; R992-E2211 WeakPolarHBondContact CG-O 3.48Å; R992-E2211 PolarHBondContact NE-O 3.22Å; R992-E2211 VanDerWaalsContact NH2-C 3.27Å; R992-E2211 PolarHBondContact NH2-O 2.88Å; R992-E2211 VanDerWaalsContact NH2-O 3.09Å; K2209-E2211 IonicContact NZ-OE1 2.73Å; K2209-E2211 PolarHBondContact NZ-OE1 2.86Å
2212	A	31.3	Very low	25	Very low	57 Å²	57	118.7 Å²	118.7	47%	0.471	60%	0.603	S	S	.	*			trans	-145.3	129.4	134	0	0	0	0	0	109.1	E990	E990-A2212 WeakPolarHBondContact OE2-CA 3.48Å
2213	G	25.1	Very low	24.9	Very low	63 Å²	63	117.5 Å²	117.5	65%	0.649	60%	0.598	S	S	*	*			trans	-93.7	-116.7	143.6	0	0	0	0	0	107.7	E990	E990-G2213 WeakPolarHBondContact OE2-CA 3.12Å; E990-G2213 PolarHBondContact OE2-N 2.8Å
2214	P	30.3	Very low	24.8	Very low	45 Å²	45	118.9 Å²	118.9	29%	0.292	60%	0.598	S	S	.	*			cis	-124.8	169.8	-17.3	50	-35.2	0	0	0	108.2	P989 E990	P989-P2214 HydrophobicContact CB-CG 4.41Å; E990-P2214 HydrophobicContact CB-CG 4.26Å; E990-P2214 HydrophobicContact CG-CB 4.46Å; E990-P2214 HydrophobicContact CG-CG 3.88Å; E990-P2214 WeakPolarHBondContact OE2-CD 3.41Å
2215	V	24.3	Very low	24.6	Very low	68 Å²	68	117 Å²	117	41%	0.412	60%	0.596	S	S	.	*				65.4	107	105.3	171.1	0	0	0	0	109.9	A986 D987 Y988	A986-V2215 HydrophobicContact CB-CB 3.88Å; A986-V2215 HydrophobicContact CB-CG1 3.76Å; A986-V2215 HydrophobicContact CB-CG2 3.74Å; D987-V2215 VanDerWaalsContact N-CG1 3.33Å; Y988-V2215 WeakPolarHBondContact CA-O 3.42Å; Y988-V2215 PolarHBondContact N-O 3.41Å
2216	S	23.3	Very low	24.8	Very low	67 Å²	67	113.1 Å²	113.1	47%	0.469	59%	0.592	S	S	.	*			trans	178.2	125.1	178.6	57.8	0	0	0	0	110.6	D987 Y988	D987-S2216 WeakPolarHBondContact OD1-CA 3.39Å; D987-S2216 PolarHBondContact OD1-N 3.42Å; Y988-S2216 VanDerWaalsContact CE1-CB 3.48Å; Y988-S2216 VanDerWaalsContact CZ-CB 3.45Å
2217	N	28.3	Very low	24.6	Very low	109 Å²	109	109.5 Å²	109.5	58%	0.583	59%	0.59	S	S	*	*			cis	-143.9	146.8	2.3	-163.1	93.9	0	0	0	111.5	D987 Y988	D987-N2217 PolarHBondContact OD1-N 3.27Å; D987-N2217 WeakPolarHBondContact OD2-CA 3.48Å; D987-N2217 PolarHBondContact OD2-N 3.19Å; Y988-N2217 HydrophobicContact CD2-CB 4.43Å; Y988-N2217 WeakPolarHBondContact CD2-OD1 3.32Å; Y988-N2217 HydrophobicContact CE2-CB 4.13Å; Y988-N2217 WeakPolarHBondContact CE2-OD1 2.95Å
2218	L	22.9	Very low	24.5	Very low	90 Å²	90	110.9 Å²	110.9	47%	0.471	59%	0.59	S	S	.	*			trans	-60.5	173.7	168.8	-78.8	123.3	0	0	0	111.3	D987	D987-L2218 HydrophobicContact CB-CD1 4.24Å; D987-L2218 PolarHBondContact OD2-N 3.4Å; D987-L2218 VanDerWaalsContact OD2-N 3.12Å
2219	D	21.3	Very low	24.6	Very low	118 Å²	118	115.1 Å²	115.1	63%	0.631	61%	0.612	S	S	*	*				178.1	-176.6	50.9	-141.2	-25.9	0	0	0	113.2
2220	F	22	Very low	24.4	Very low	161 Å²	161	116.4 Å²	116.4	71%	0.706	62%	0.619	S	S	*	*			trans	41.8	109.9	155	-76	-71.2	0	0	0	123.5
2221	T	21.7	Very low	24.6	Very low	109 Å²	109	120.7 Å²	120.7	67%	0.669	64%	0.639	S	S	*	*				44.3	160.1	121.2	64	0	0	0	0	124.6
2222	F	21.5	Very low	24.6	Very low	183 Å²	183	123.3 Å²	123.3	80%	0.803	65%	0.654	S	S	*	*			trans	74	141.6	178.5	-74.9	-149.8	0	0	0	113.4
2223	F	21.6	Very low	24.3	Very low	171 Å²	171	127 Å²	127	75%	0.75	67%	0.671	S	S	*	*			cis	-139.3	169.5	1.5	-133.4	-66.8	0	0	0	109.5
2224	D	21.9	Very low	24.3	Very low	134 Å²	134	131.9 Å²	131.9	72%	0.717	68%	0.679	S	S	*	*			trans	-55.5	167.9	164.7	-73.2	-77.5	0	0	0	114.8
2225	N	23.1	Very low	24	Very low	145 Å²	145	133.2 Å²	133.2	78%	0.775	69%	0.694	S	S	*	*			trans	80.7	92.5	178.5	-53.2	-76.8	0	0	0	116.6
2226	L	27.6	Very low	24.1	Very low	155 Å²	155	133.9 Å²	133.9	81%	0.812	70%	0.7	S	S	*	*				-149.7	68.3	121.6	-145.1	78.8	0	0	0	113.4	N2228	L2226-N2228 PolarHBondContact O-N 3.33Å
2227	L	24.2	Very low	24.4	Very low	164 Å²	164	135.6 Å²	135.6	86%	0.859	71%	0.707	S	S	*	*			trans	-77.8	66	166.9	-148.6	175.4	0	0	0	109.9
2228	N	23.6	Very low	24.4	Very low	124 Å²	124	138.7 Å²	138.7	66%	0.663	72%	0.716	S	S	*	*			trans	-173.9	147.4	165	-102.9	-50.8	0	0	0	111.6	L2226	L2226-N2228 PolarHBondContact O-N 3.33Å
2229	K	27.8	Very low	24.7	Very low	198 Å²	198	136.8 Å²	136.8	86%	0.861	71%	0.713	S	S	*	*			trans	64.4	76.7	-161.9	-56.7	172.3	-176.7	166.7	0	112.3
2230	E	22.6	Very low	25	Very low	146 Å²	146	139.4 Å²	139.4	68%	0.682	72%	0.719	S	S	*	*			cis	65.1	171.5	27	-133.5	-98.4	175.6	0	0	113
2231	L	27.3	Very low	25.2	Very low	131 Å²	131	135.9 Å²	135.9	69%	0.686	71%	0.714	S	S	*	*			trans	-49.6	131.4	-158.8	-81	33.8	0	0	0	115.8
2232	I	24.6	Very low	25.6	Very low	152 Å²	152	134.7 Å²	134.7	78%	0.779	71%	0.706	S	S	*	*			trans	150.8	91	141.9	-76.5	153.3	0	0	0	109.5
2233	T	25.4	Very low	25.8	Very low	134 Å²	134	133.2 Å²	133.2	82%	0.822	70%	0.703	S	S	*	*	S	Bend	trans	-162.1	-6.5	161.1	0.9	0	0	0	0	116.7
2234	M	25.5	Very low	26.1	Very low	165 Å²	165	130.1 Å²	130.1	81%	0.813	70%	0.702	S	S	*	*	S	Bend	trans	-104.4	-3.7	174	-86.5	-67.6	-158.6	0	0	115.1
2235	A	24.5	Very low	26.3	Very low	74 Å²	74	131 Å²	131	61%	0.612	71%	0.706	S	S	*	*	H	α-helix	trans	-59.4	-29.8	177.8	0	0	0	0	0	117.2	V2237	A2235-V2237 PolarHBondContact O-N 3.35Å
2236	P	25.4	Very low	26.4	Very low	82 Å²	82	129.1 Å²	129.1	53%	0.532	70%	0.703	S	S	.	*	H	α-helix	trans	-82.7	-5.5	-170.8	32.1	-35.2	0	0	0	115.2	K2240	P2236-K2240 PolarHBondContact O-N 3.4Å
2237	V	30.6	Very low	26.3	Very low	103 Å²	103	130.7 Å²	130.7	62%	0.624	70%	0.703	S	S	*	*	H	α-helix	trans	-79.3	-43.3	178.6	-176.6	0	0	0	0	111.1	A2235 K2240	A2235-V2237 PolarHBondContact O-N 3.35Å; V2237-K2240 PolarHBondContact O-N 3.18Å
2238	F	27.3	Very low	26.3	Very low	174 Å²	174	130.6 Å²	130.6	76%	0.763	70%	0.703	S	S	*	*	H	α-helix	trans	-69.4	-40.6	175.7	-138.6	-98.4	0	0	0	111.4	K2240 S2241 V2242	F2238-K2240 PolarHBondContact O-N 2.89Å; F2238-S2241 PolarHBondContact O-N 3.27Å; F2238-S2241 VanDerWaalsContact O-N 3.12Å; F2238-V2242 HydrophobicContact CD1-CG2 4.49Å; F2238-V2242 PolarHBondContact O-N 3.44Å
2239	A	29	Very low	26.4	Very low	49 Å²	49	131.1 Å²	131.1	41%	0.405	71%	0.71	S	S	.	*	H	α-helix	trans	-58.4	-29.4	177.8	0	0	0	0	0	113.7	M2243	A2239-M2243 VanDerWaalsContact O-CB 3.25Å; A2239-M2243 WeakPolarHBondContact O-CB 3.2Å; A2239-M2243 WeakPolarHBondContact O-CG 2.99Å; A2239-M2243 PolarHBondContact O-N 2.89Å
2240	K	27	Very low	26.3	Very low	174 Å²	174	130 Å²	130	76%	0.757	71%	0.708	S	S	*	*	H	α-helix	trans	-73.7	-26.2	178.5	-111.3	176.3	179	175.4	0	114.3	P2236 V2237 F2238	P2236-K2240 PolarHBondContact O-N 3.4Å; V2237-K2240 PolarHBondContact O-N 3.18Å; F2238-K2240 PolarHBondContact O-N 2.89Å
2241	S	26.3	Very low	26.3	Very low	86 Å²	86	131.3 Å²	131.3	60%	0.601	71%	0.714	S	S	*	*	H	α-helix	trans	-80.5	-36.6	175.5	-58	0	0	0	0	111.5	F2238	F2238-S2241 PolarHBondContact O-N 3.27Å; F2238-S2241 VanDerWaalsContact O-N 3.12Å
2242	V	30.7	Very low	26.1	Very low	84 Å²	84	131.8 Å²	131.8	51%	0.509	72%	0.717	S	S	.	*	H	α-helix	trans	-72.4	-42.2	176.9	-179.1	0	0	0	0	111.6	F2238 C2244 L2245	F2238-V2242 HydrophobicContact CD1-CG2 4.49Å; F2238-V2242 PolarHBondContact O-N 3.44Å; V2242-C2244 PolarHBondContact O-N 2.9Å; V2242-C2244 VanDerWaalsContact O-N 3.08Å; V2242-L2245 PolarHBondContact O-N 2.96Å; V2242-L2245 VanDerWaalsContact O-N 3.11Å
2243	M	26.5	Very low	26.1	Very low	152 Å²	152	132.2 Å²	132.2	75%	0.749	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-11.5	176.9	-75.1	-81.7	-78	0	0	114.4	A2239	A2239-M2243 VanDerWaalsContact O-CB 3.25Å; A2239-M2243 WeakPolarHBondContact O-CB 3.2Å; A2239-M2243 WeakPolarHBondContact O-CG 2.99Å; A2239-M2243 PolarHBondContact O-N 2.89Å
2244	C	26.5	Very low	25.9	Very low	107 Å²	107	130.7 Å²	130.7	72%	0.723	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-11.4	176.3	-156.4	0	0	0	0	113.4	V2242	V2242-C2244 PolarHBondContact O-N 2.9Å; V2242-C2244 VanDerWaalsContact O-N 3.08Å
2245	L	26.5	Very low	26	Very low	153 Å²	153	128 Å²	128	80%	0.801	71%	0.71	S	S	*	*	S	Bend	trans	-100.3	-2.8	179.7	-86	163.2	0	0	0	114.3	V2242	V2242-L2245 PolarHBondContact O-N 2.96Å; V2242-L2245 VanDerWaalsContact O-N 3.11Å
2246	C	26.6	Very low	26.2	Very low	104 Å²	104	131.5 Å²	131.5	70%	0.703	72%	0.718	S	S	*	*	S	Bend	trans	-116.2	38.3	-179.1	-60.9	0	0	0	0	113.2
2247	K	23.8	Very low	26.1	Very low	189 Å²	189	135.6 Å²	135.6	82%	0.822	74%	0.736	S	S	*	*	S	Bend	trans	-149.1	23.4	177.3	-127.3	174.7	-173.4	-178.1	0	117.6
2248	L	24.4	Very low	25.7	Very low	162 Å²	162	137.3 Å²	137.3	85%	0.848	74%	0.741	S	S	*	*	S	Bend	trans	-128	119.9	161.9	-82.2	168.7	0	0	0	107.7
2249	T	26.8	Very low	25.6	Very low	135 Å²	135	135.9 Å²	135.9	83%	0.828	74%	0.74	S	S	*	*	S	Bend	trans	61.1	126.7	-161.6	71.6	0	0	0	0	112.8
2250	H	24.9	Very low	25.5	Very low	174 Å²	174	142.7 Å²	142.7	81%	0.806	76%	0.761	S	S	*	*			cis	-68.6	128.4	0.5	-63.3	-102.8	0	0	0	114.5
2251	Q	23.3	Very low	25.2	Very low	173 Å²	173	142.6 Å²	142.6	81%	0.808	76%	0.763	S	S	*	*	S	Bend		-112.5	153.9	111.2	-78.1	-177.4	-76.8	0	0	106.5
2252	D	22.9	Very low	25.1	Very low	142 Å²	142	143.4 Å²	143.4	76%	0.759	77%	0.768	S	S	*	*			trans	33.3	88.8	166.3	-56.4	-37	0	0	0	118.5
2253	L	23.5	Very low	24.8	Very low	161 Å²	161	144.1 Å²	144.1	84%	0.843	78%	0.777	S	S	*	*				-134.1	93.2	121	-103.9	171.6	0	0	0	107.8
2254	S	22.6	Very low	24.7	Very low	102 Å²	102	144 Å²	144	71%	0.713	78%	0.78	S	S	*	*			trans	-68.3	140.3	175.3	-165.9	0	0	0	0	109.6
2255	P	27.3	Very low	24.6	Very low	109 Å²	109	143.5 Å²	143.5	71%	0.708	78%	0.777	S	S	*	*			trans	-81.5	150.6	-167.3	33.1	-36.4	0	0	0	112.6
2256	N	27.8	Very low	24.5	Very low	146 Å²	146	147.4 Å²	147.4	78%	0.781	78%	0.781	S	S	*	*			trans	-163.2	118.6	145.2	-104.4	-39.5	0	0	0	112.3
2257	N	23.3	Very low	24.4	Very low	169 Å²	169	151.3 Å²	151.3	90%	0.904	79%	0.787	S	S	*	*			trans	-152.7	105.7	148	-125.4	-7.7	0	0	0	106.3
2258	L	23.7	Very low	24.4	Very low	138 Å²	138	147.4 Å²	147.4	72%	0.723	78%	0.783	S	S	*	*			trans	-145.3	133.2	-176.2	-90.8	171.7	0	0	0	110.8
2259	L	24.6	Very low	24.3	Very low	144 Å²	144	146.7 Å²	146.7	75%	0.754	78%	0.779	S	S	*	*			trans	61.9	112.8	151	-60.5	168.1	0	0	0	119.1
2260	K	26.9	Very low	24.1	Very low	193 Å²	193	145.5 Å²	145.5	84%	0.839	78%	0.776	S	S	*	*	S	Bend		-80.9	170	112.5	-91.8	-168.9	174.7	-173.6	0	109.9
2261	E	21.2	Very low	23.9	Very low	172 Å²	172	148.3 Å²	148.3	80%	0.804	78%	0.78	S	S	*	*	S	Bend	trans	-51.9	153.8	-162.4	-61.8	155.5	115.9	0	0	117.7
2262	S	23.6	Very low	24.4	Very low	102 Å²	102	144.9 Å²	144.9	71%	0.713	77%	0.773	S	S	*	*			trans	96.3	121.3	141.1	77.7	0	0	0	0	122.8
2263	S	25	Very low	24.3	Very low	99 Å²	99	143.1 Å²	143.1	69%	0.692	77%	0.771	S	S	*	*			trans	60.8	101.5	135.7	52.8	0	0	0	0	124.5
2264	N	23.5	Very low	24.2	Very low	150 Å²	150	142.4 Å²	142.4	80%	0.802	77%	0.767	S	S	*	*				59.7	116.6	109.4	-71.9	-26.3	0	0	0	123.8
2265	S	23.8	Very low	24.1	Very low	96 Å²	96	145.2 Å²	145.2	67%	0.671	77%	0.769	S	S	*	*				78.2	166.3	129.5	82.9	0	0	0	0	118.1
2266	R	26	Very low	24.1	Very low	235 Å²	235	146.9 Å²	146.9	89%	0.887	77%	0.77	S	S	*	*			cis	-147.6	170.1	11.2	-158.5	169	-81.8	-160.5	-6.4	112.4
2267	K	24.1	Very low	24	Very low	187 Å²	187	146.2 Å²	146.2	81%	0.813	77%	0.767	S	S	*	*			trans	-99.1	172.4	178.5	-56.1	177.2	178.4	180	0	112.4
2268	S	23.4	Very low	24	Very low	106 Å²	106	142.3 Å²	142.3	74%	0.741	75%	0.752	S	S	*	*			trans	78.3	161.7	145.1	80	0	0	0	0	117.4
2269	L	22.8	Very low	24.1	Very low	147 Å²	147	143.2 Å²	143.2	77%	0.77	75%	0.753	S	S	*	*			cis	-159.5	167	11.1	-140	152.8	0	0	0	111.3
2270	S	21.2	Very low	24.1	Very low	110 Å²	110	142.5 Å²	142.5	77%	0.769	75%	0.749	S	S	*	*			trans	75.4	147.3	155.2	41.4	0	0	0	0	123.1
2271	R	21.4	Very low	23.9	Very low	234 Å²	234	141.6 Å²	141.6	88%	0.883	75%	0.747	S	S	*	*			trans	-62.4	173.1	162.8	-87.9	-180	167.9	-176.6	-4.1	112.8
2272	P	34.4	Very low	23.9	Very low	101 Å²	101	143.7 Å²	143.7	66%	0.656	75%	0.747	S	S	*	*			cis	-139.4	-173.6	-33.9	39.8	-22.7	0	0	0	113.3
2273	S	19.7	Very low	23.9	Very low	104 Å²	104	143.2 Å²	143.2	73%	0.727	74%	0.74	S	S	*	*			trans	72.8	161.9	155.6	-55.6	0	0	0	0	118.8
2274	I	21.4	Very low	23.8	Very low	146 Å²	146	148.1 Å²	148.1	75%	0.749	75%	0.749	S	S	*	*			trans	69.5	100.1	167.1	-68.3	168	0	0	0	113.4
2275	Q	21	Very low	23.8	Very low	162 Å²	162	145.4 Å²	145.4	76%	0.757	75%	0.748	S	S	*	*				85.5	119.8	64.4	174.1	-163.8	3.3	0	0	111.9
2276	I	28	Very low	24.1	Very low	143 Å²	143	143.7 Å²	143.7	73%	0.733	75%	0.745	S	S	*	*			trans	-176.3	143.6	130.3	-92.6	153.1	0	0	0	106.3
2277	D	25.4	Very low	24.2	Very low	133 Å²	133	139.3 Å²	139.3	71%	0.711	74%	0.739	S	S	*	*			trans	55.4	103.6	171	-59.8	-15.2	0	0	0	117.8
2278	S	22.7	Very low	24.6	Very low	86 Å²	86	136.7 Å²	136.7	60%	0.601	73%	0.733	S	S	*	*			cis	63.5	139.6	19	121.6	0	0	0	0	111.8
2279	Q	25.3	Very low	24.7	Very low	157 Å²	157	139.4 Å²	139.4	73%	0.734	73%	0.734	S	S	*	*			cis	-165.7	169.2	29.7	-130	174.7	23.6	0	0	110.7
2280	I	25.7	Very low	24.7	Very low	130 Å²	130	137.8 Å²	137.8	67%	0.667	73%	0.734	S	S	*	*			trans	52.4	105.6	139.6	-73	165.8	0	0	0	119.3
2281	H	22.9	Very low	25.3	Very low	173 Å²	173	138 Å²	138	80%	0.801	73%	0.732	S	S	*	*			trans	-21.1	168	135.6	-152.3	-86.9	0	0	0	116.1
2282	W	21.4	Very low	25.6	Very low	216 Å²	216	132.8 Å²	132.8	82%	0.818	73%	0.726	S	S	*	*			trans	84.8	144.6	-172.8	-63.1	63.8	0	0	0	113.6
2283	T	22.7	Very low	25	Very low	92 Å²	92	133.5 Å²	133.5	56%	0.564	73%	0.734	S	S	*	*			cis	-165.8	144.4	-25.9	30.5	0	0	0	0	107.1
2284	K	22.1	Very low	25.3	Very low	202 Å²	202	131.7 Å²	131.7	88%	0.878	73%	0.731	S	S	*	*			trans	63.6	168	150.3	-75.9	178.3	179.1	-175.7	0	114.8
2285	A	25	Very low	25.4	Very low	93 Å²	93	130.2 Å²	130.2	77%	0.769	73%	0.734	S	S	*	*			cis	-144.6	163.1	-24.1	0	0	0	0	0	107.7
2286	G	29.5	Very low	25.6	Very low	60 Å²	60	128 Å²	128	62%	0.619	73%	0.732	S	S	*	*			trans	99.1	145.3	160.6	0	0	0	0	0	114.7
2287	D	28.6	Very low	25.7	Very low	143 Å²	143	129.2 Å²	129.2	77%	0.765	73%	0.734	S	S	*	*			cis	-162.1	159	-9.7	-110.1	-32.6	0	0	0	110.6
2288	I	31.1	Very low	25.9	Very low	132 Å²	132	130.6 Å²	130.6	68%	0.677	74%	0.736	S	S	*	*			trans	57.9	128.5	142.4	-66.5	168.4	0	0	0	117.3
2289	E	26.4	Very low	26.4	Very low	164 Å²	164	131.7 Å²	131.7	77%	0.766	74%	0.739	S	S	*	*			cis	-168	-165.6	-11.5	-123.9	163.5	-160.7	0	0	106.9
2290	C	22.1	Very low	26.5	Very low	113 Å²	113	132.4 Å²	132.4	76%	0.764	74%	0.742	S	S	*	*			trans	-91.5	-137	152.3	-54.3	0	0	0	0	108.2
2291	P	34.3	Very low	26.4	Very low	113 Å²	113	133.4 Å²	133.4	73%	0.734	75%	0.749	S	S	*	*				-102	-124.4	-68	35.7	-26.4	0	0	0	109.3
2292	V	27.7	Very low	26.8	Very low	126 Å²	126	133.7 Å²	133.7	76%	0.764	75%	0.751	S	S	*	*			trans	80.8	111.4	165.9	-168.6	0	0	0	0	117.9
2293	S	22.6	Very low	26.9	Very low	116 Å²	116	131.2 Å²	131.2	81%	0.811	75%	0.748	S	S	*	*			trans	-48.7	151.2	163.7	50.1	0	0	0	0	117.9
2294	G	26.5	Very low	27	Very low	65 Å²	65	130.5 Å²	130.5	67%	0.67	74%	0.744	S	S	*	*			trans	143.4	114.3	164.9	0	0	0	0	0	109.3
2295	S	22.7	Very low	27.2	Very low	116 Å²	116	130.5 Å²	130.5	81%	0.811	74%	0.738	S	S	*	*			cis	55.7	122	43.6	91	0	0	0	0	111.9
2296	T	25.1	Very low	27.2	Very low	116 Å²	116	131.5 Å²	131.5	71%	0.712	74%	0.735	S	S	*	*			cis	-141.1	-176.9	23.8	42.7	0	0	0	0	113.4
2297	E	29.7	Very low	26.9	Very low	167 Å²	167	136.4 Å²	136.4	78%	0.78	75%	0.747	S	S	*	*			trans	86.1	120.8	166	-57.6	168.7	-161.6	0	0	115.4
2298	E	29.9	Very low	26.7	Very low	162 Å²	162	133.6 Å²	133.6	76%	0.757	74%	0.743	S	S	*	*			cis	-158.4	156.3	-1.8	-122	178.8	-178.1	0	0	110.5
2299	V	32.2	Very low	26.5	Very low	110 Å²	110	134 Å²	134	67%	0.667	75%	0.747	S	S	*	*			trans	59.3	123.9	145.8	168	0	0	0	0	118.2
2300	E	28.8	Very low	26.4	Very low	171 Å²	171	130.1 Å²	130.1	80%	0.799	74%	0.737	S	S	*	*			cis	-156.8	151.9	5.1	-127.4	160.7	-157	0	0	110.9
2301	D	24	Very low	26.4	Very low	152 Å²	152	130.7 Å²	130.7	81%	0.813	73%	0.732	S	S	*	*			trans	-69.8	144.2	148.6	-64.4	-74.9	0	0	0	108.4
2302	E	29.5	Very low	26	Very low	178 Å²	178	132.4 Å²	132.4	83%	0.832	73%	0.733	S	S	*	*			trans	-153.4	125.9	131.7	-169.6	62.6	148.6	0	0	111
2303	E	23.6	Very low	25.7	Very low	164 Å²	164	131.9 Å²	131.9	77%	0.766	73%	0.726	S	S	*	*			trans	-96.4	-152	178.8	-158.4	-162.6	-140.3	0	0	109.3
2304	V	26.5	Very low	25.9	Very low	78 Å²	78	134.6 Å²	134.6	47%	0.473	73%	0.73	S	S	.	*			trans	55.5	96.7	149.4	178.4	0	0	0	0	120
2305	R	25.9	Very low	25.9	Very low	201 Å²	201	135.7 Å²	135.7	76%	0.758	73%	0.728	S	S	*	*				66.1	138.5	127.6	-61.9	-178.8	178.1	79.1	3.2	122
2306	T	25.3	Very low	26.1	Very low	115 Å²	115	135.2 Å²	135.2	71%	0.706	72%	0.723	S	S	*	*			trans	60.6	105.4	145.2	48.6	0	0	0	0	118
2307	L	23	Very low	26.1	Very low	163 Å²	163	134.1 Å²	134.1	85%	0.853	72%	0.72	S	S	*	*				67.8	124.2	80.1	-84.4	172	0	0	0	114.1
2308	A	24.7	Very low	25.8	Very low	84 Å²	84	134.3 Å²	134.3	69%	0.694	72%	0.721	S	S	*	*			trans	64.8	119.9	169	0	0	0	0	0	115.1
2309	N	26.6	Very low	25.8	Very low	141 Å²	141	132.6 Å²	132.6	75%	0.754	72%	0.722	S	S	*	*			cis	-139	141.5	-3.4	-83.8	-40.5	0	0	0	108
2310	S	23.6	Very low	25.4	Very low	81 Å²	81	133.5 Å²	133.5	57%	0.566	73%	0.728	S	S	*	*			cis	71.8	130.2	45.5	-163.4	0	0	0	0	112.3
2311	I	23.3	Very low	25.2	Very low	126 Å²	126	131.6 Å²	131.6	65%	0.646	72%	0.723	S	S	*	*			trans	68.5	-176.8	165.7	-54	145.3	0	0	0	112.4	D2313	I2311-D2313 WeakPolarHBondContact CG2-OD2 3.23Å
2312	I	24.5	Very low	25.4	Very low	149 Å²	149	130.1 Å²	130.1	76%	0.764	72%	0.72	S	S	*	*			trans	69.5	61.1	178.3	-42.1	-176.2	0	0	0	109.5
2313	D	22.4	Very low	25.4	Very low	114 Å²	114	127.9 Å²	127.9	61%	0.61	71%	0.713	S	S	*	*				57.1	135.8	67.4	-39.9	-37.7	0	0	0	111.7	I2311	I2311-D2313 WeakPolarHBondContact CG2-OD2 3.23Å
2314	L	25.7	Very low	25.5	Very low	173 Å²	173	129.9 Å²	129.9	91%	0.906	71%	0.714	S	S	*	*				-146.8	139.5	118.3	-92.4	140.6	0	0	0	105.3
2315	S	26.6	Very low	25.6	Very low	88 Å²	88	132.4 Å²	132.4	62%	0.615	72%	0.723	S	S	*	*			cis	-160.2	165.4	8.1	55.1	0	0	0	0	111.2
2316	C	28.2	Very low	25.6	Very low	106 Å²	106	128.5 Å²	128.5	72%	0.716	72%	0.718	S	S	*	*			trans	42.9	106.4	142.3	-61.6	0	0	0	0	117.3
2317	S	23.9	Very low	25.8	Very low	93 Å²	93	128.5 Å²	128.5	65%	0.65	72%	0.718	S	S	*	*				46.1	122.1	64.6	90.5	0	0	0	0	113.9
2318	Q	24.4	Very low	26	Very low	172 Å²	172	127.8 Å²	127.8	80%	0.804	71%	0.714	S	S	*	*			trans	68.4	118.1	156	-64.1	-176.7	-21.8	0	0	118.3
2319	T	28.4	Very low	25.9	Very low	125 Å²	125	128.3 Å²	128.3	77%	0.767	71%	0.712	S	S	*	*			trans	44.8	116.9	131	65	0	0	0	0	119
2320	T	25.6	Very low	25.9	Very low	129 Å²	129	127.4 Å²	127.4	79%	0.791	71%	0.713	S	S	*	*			trans	-111.3	145.8	141.3	85.2	0	0	0	0	107.2
2321	D	24.1	Very low	25.9	Very low	132 Å²	132	131.1 Å²	131.1	71%	0.706	72%	0.721	S	S	*	*			cis	-117.6	161.5	12.2	-47.9	-49.4	0	0	0	110.5
2322	T	28.3	Very low	25.8	Very low	120 Å²	120	132.6 Å²	132.6	74%	0.736	73%	0.725	S	S	*	*			cis	-160.7	147.6	41	2.9	0	0	0	0	113.9
2323	L	28	Very low	25.7	Very low	132 Å²	132	130.6 Å²	130.6	69%	0.691	72%	0.724	S	S	*	*			trans	72.9	96.4	149	-59.7	168.9	0	0	0	121.5
2324	R	26.6	Very low	25.8	Very low	206 Å²	206	132.3 Å²	132.3	78%	0.777	73%	0.733	S	S	*	*				92.2	109.8	114.9	-75.6	-174.3	166.3	151.4	-1.8	122.3
2325	L	27.7	Very low	25.7	Very low	130 Å²	130	128.2 Å²	128.2	68%	0.681	73%	0.725	S	S	*	*				86.6	121.8	117.8	-66.9	172.5	0	0	0	121.2
2326	D	27.4	Very low	25.6	Very low	120 Å²	120	131.6 Å²	131.6	64%	0.642	73%	0.734	S	S	*	*				94.3	89.6	128.5	-61.9	-10.6	0	0	0	123.1
2327	T	29.3	Very low	25.4	Very low	115 Å²	115	134.5 Å²	134.5	71%	0.706	74%	0.737	S	S	*	*				84.2	135.1	118	56.6	0	0	0	0	123.7
2328	L	27.3	Very low	25.3	Very low	147 Å²	147	134.5 Å²	134.5	77%	0.77	74%	0.737	S	S	*	*			trans	74.4	101	140.5	-69.6	164.8	0	0	0	121.4
2329	S	22.6	Very low	25.4	Very low	95 Å²	95	129.7 Å²	129.7	66%	0.664	73%	0.733	S	S	*	*				63.7	137.9	111.2	-57.7	0	0	0	0	124.1
2330	T	25.2	Very low	25.1	Very low	123 Å²	123	132.4 Å²	132.4	76%	0.755	74%	0.735	S	S	*	*			trans	73.3	118.2	140.5	44.6	0	0	0	0	122.2
2331	E	23.5	Very low	25	Very low	158 Å²	158	131.6 Å²	131.6	74%	0.738	73%	0.725	S	S	*	*			trans	81.9	117.5	130.1	-69.2	-169.8	164.9	0	0	123.5
2332	Q	22.2	Very low	25	Very low	158 Å²	158	132 Å²	132	74%	0.738	73%	0.727	S	S	*	*			trans	75.5	153.2	131.1	-67.1	-171.3	31.8	0	0	122.6
2333	S	21.8	Very low	24.8	Very low	106 Å²	106	130.7 Å²	130.7	74%	0.741	72%	0.723	S	S	*	*			trans	76.7	143	161.9	68.1	0	0	0	0	119.6
2334	D	24.6	Very low	24.7	Very low	150 Å²	150	128 Å²	128	80%	0.802	72%	0.719	S	S	*	*			trans	43.3	104.8	154.3	-58.3	-7.1	0	0	0	118.7
2335	A	23.5	Very low	24.6	Very low	88 Å²	88	124 Å²	124	73%	0.727	71%	0.713	S	S	*	*				86	170.2	73.6	0	0	0	0	0	113.4
2336	I	26.1	Very low	24.5	Very low	159 Å²	159	123.9 Å²	123.9	82%	0.815	71%	0.714	S	S	*	*			trans	65.5	91.3	170.2	-57.4	-180	0	0	0	115.6
2337	H	23	Very low	24.3	Very low	166 Å²	166	122.4 Å²	122.4	77%	0.769	71%	0.712	S	S	*	*				66.7	122	116.9	-118.3	-89.2	0	0	0	121.4
2338	S	22.7	Very low	24.4	Very low	94 Å²	94	123.1 Å²	123.1	66%	0.657	71%	0.712	S	S	*	*			trans	41.3	108.9	139.1	66.1	0	0	0	0	120.4
2339	G	24.9	Very low	24.3	Very low	70 Å²	70	123.5 Å²	123.5	72%	0.722	71%	0.71	S	S	*	*			trans	-160.5	115.3	147.9	0	0	0	0	0	107.3
2340	F	23.7	Very low	24.4	Very low	183 Å²	183	124.3 Å²	124.3	80%	0.803	71%	0.707	S	S	*	*			cis	50.4	121.2	27.8	-83.5	-33.9	0	0	0	111.9
2341	D	23.2	Very low	24.5	Very low	111 Å²	111	124.5 Å²	124.5	59%	0.594	70%	0.702	S	S	*	*			cis	-160.8	-173.3	9.4	-149.2	-16.5	0	0	0	110.6
2342	L	24.3	Very low	24.5	Very low	142 Å²	142	123 Å²	123	74%	0.743	70%	0.7	S	S	*	*			trans	52.6	130.6	146.1	-66.8	168.4	0	0	0	117.3
2343	S	23.5	Very low	24.7	Very low	92 Å²	92	119.6 Å²	119.6	64%	0.643	69%	0.693	S	S	*	*			cis	173.4	-159.1	8.9	44.9	0	0	0	0	106.2
2344	A	25.6	Very low	25.1	Very low	75 Å²	75	120.6 Å²	120.6	62%	0.62	69%	0.694	S	S	*	*			trans	77.2	127.2	137.8	0	0	0	0	0	117.2
2345	D	24.3	Very low	25.3	Very low	121 Å²	121	118.1 Å²	118.1	65%	0.647	70%	0.695	S	S	*	*			cis	-157.2	148	-6.1	-124.3	-6.3	0	0	0	113.8
2346	N	25.1	Very low	25.8	Very low	129 Å²	129	118 Å²	118	69%	0.69	69%	0.694	S	S	*	*			trans	54.4	-173	147.7	-62.7	-39.3	0	0	0	117.7
2347	S	24.9	Very low	25.8	Very low	88 Å²	88	118.3 Å²	118.3	62%	0.615	69%	0.692	S	S	*	*			trans	57	114.9	137.8	56.2	0	0	0	0	119.1
2348	D	30.9	Very low	25.7	Very low	131 Å²	131	117.2 Å²	117.2	70%	0.701	69%	0.691	S	S	*	*			cis	-151.1	156.4	0.2	-97.5	-34	0	0	0	107.1
2349	Q	24.4	Very low	25.9	Very low	154 Å²	154	118.7 Å²	118.7	72%	0.72	70%	0.696	S	S	*	*				48.1	130.7	72.5	-77.5	-150.1	-70.9	0	0	112.5
2350	D	26	Very low	25.9	Very low	112 Å²	112	120.2 Å²	120.2	60%	0.599	70%	0.695	S	S	*	*			cis	-163.1	-144.7	-11.4	-147.9	-35.7	0	0	0	108.4
2351	L	25.6	Very low	25.9	Very low	127 Å²	127	118.1 Å²	118.1	67%	0.665	69%	0.692	S	S	*	*				23.9	136.8	126.8	-59.2	164.6	0	0	0	118
2352	D	24.4	Very low	26	Very low	127 Å²	127	118.3 Å²	118.3	68%	0.679	70%	0.698	S	S	*	*			cis	-135	141.1	25.2	-96.8	-58.2	0	0	0	110.5
2353	S	26.3	Very low	26	Very low	87 Å²	87	117.6 Å²	117.6	61%	0.608	69%	0.694	S	S	*	*				65.3	152.1	73.7	103.1	0	0	0	0	113.1
2354	V	31.1	Very low	26.3	Very low	126 Å²	126	121.9 Å²	121.9	76%	0.764	70%	0.704	S	S	*	*				-151.1	136.3	56.4	169.3	0	0	0	0	111.7
2355	A	28.5	Very low	26.2	Very low	99 Å²	99	126.8 Å²	126.8	82%	0.818	72%	0.719	S	S	*	*			trans	60.4	157.8	162.1	0	0	0	0	0	118.4
2356	A	32.3	Very low	26.1	Very low	85 Å²	85	124.7 Å²	124.7	70%	0.702	72%	0.719	S	S	*	*			cis	-138.9	135.9	6.2	0	0	0	0	0	109.9
2357	Q	26.9	Very low	26	Very low	165 Å²	165	126.8 Å²	126.8	77%	0.771	72%	0.722	S	S	*	*				68.5	103.1	96.3	-140.3	67.3	12.7	0	0	113.1
2358	L	22.1	Very low	26.1	Very low	143 Å²	143	129.3 Å²	129.3	75%	0.749	73%	0.729	S	S	*	*				75.6	133.5	70	-152.6	125.2	0	0	0	113.4
2359	V	25.1	Very low	25.6	Very low	126 Å²	126	133 Å²	133	76%	0.764	73%	0.734	S	S	*	*			trans	70.3	129.6	-167.7	-167.9	0	0	0	0	113.3
2360	S	26.3	Very low	25.6	Very low	101 Å²	101	134.1 Å²	134.1	71%	0.706	74%	0.737	S	S	*	*			cis	-130.2	138.9	1.3	-140.9	0	0	0	0	107.7
2361	D	22.1	Very low	25.5	Very low	139 Å²	139	134.6 Å²	134.6	74%	0.743	75%	0.749	S	S	*	*			cis	70.5	136	25.8	-145.6	-1.7	0	0	0	114.1
2362	V	26	Very low	25.4	Very low	116 Å²	116	135 Å²	135	70%	0.703	75%	0.752	S	S	*	*			trans	68.7	127.7	-179.5	-174.3	0	0	0	0	117.4
2363	L	24.3	Very low	25.5	Very low	127 Å²	127	136.7 Å²	136.7	67%	0.665	76%	0.755	S	S	*	*			trans	65.1	147.1	-171.6	-86.1	71.7	0	0	0	113.8
2364	E	29.3	Very low	25.4	Very low	182 Å²	182	139.1 Å²	139.1	85%	0.85	76%	0.76	S	S	*	*	S	Bend	cis	-129.7	10.9	27.8	-159.9	168.4	-155.6	0	0	114.6
2365	N	23.8	Very low	25.1	Very low	177 Å²	177	138.4 Å²	138.4	95%	0.947	76%	0.756	S	S	*	*	S	Bend	trans	-95.3	17.8	-174.3	-118.2	-15.9	0	0	0	115.4
2366	A	22.3	Very low	25	Very low	78 Å²	78	142.8 Å²	142.8	65%	0.645	76%	0.757	S	S	*	*			trans	-151.9	101.5	177.9	0	0	0	0	0	113.1
2367	K	23.8	Very low	24.6	Very low	173 Å²	173	142.9 Å²	142.9	75%	0.752	75%	0.752	S	S	*	*			trans	-168	100.4	153.1	-108.1	164.3	-174.6	178.7	0	110.7
2368	N	26.7	Very low	24.4	Very low	140 Å²	140	141.1 Å²	141.1	75%	0.749	75%	0.748	S	S	*	*				38	126.4	128	-53	10.6	0	0	0	117.2
2369	Y	20.1	Very low	24.6	Very low	210 Å²	210	140.5 Å²	140.5	82%	0.824	75%	0.746	S	S	*	*	S	Bend	cis	58.8	94.9	29.4	-119.2	-79.9	0	0	0	114
2370	F	24.4	Very low	24.6	Very low	177 Å²	177	137.9 Å²	137.9	78%	0.776	74%	0.737	S	S	*	*			trans	62.1	142.7	-170.1	-61.3	-76.9	0	0	0	114.3
2371	S	24.9	Very low	24.5	Very low	122 Å²	122	141.4 Å²	141.4	85%	0.853	74%	0.743	S	S	*	*			cis	-128.4	-170.4	27.3	-159.6	0	0	0	0	114.9
2372	N	23.4	Very low	24.8	Very low	134 Å²	134	142.6 Å²	142.6	72%	0.717	74%	0.744	S	S	*	*			trans	-114.1	162.5	-163	-125.1	-5.3	0	0	0	113.4
2373	H	25.2	Very low	24.9	Very low	163 Å²	163	144.9 Å²	144.9	76%	0.755	74%	0.744	S	S	*	*			trans	78.2	156.2	149.1	-101.2	-120.3	0	0	0	123.1
2374	I	25.5	Very low	25.1	Very low	139 Å²	139	144.5 Å²	144.5	71%	0.713	75%	0.747	S	S	*	*			trans	74.9	85.3	161.8	-65.1	164.7	0	0	0	117.7
2375	T	25.2	Very low	25	Very low	111 Å²	111	141 Å²	141	68%	0.681	74%	0.738	S	S	*	*				45.7	142.1	129.6	66.1	0	0	0	0	122.9
2376	K	25	Very low	25.2	Very low	191 Å²	191	139.5 Å²	139.5	83%	0.83	73%	0.73	S	S	*	*			trans	40.8	134.4	130.8	-61.6	-179.9	-179.5	-178.9	0	119
2377	S	23.3	Very low	25.6	Very low	86 Å²	86	141.1 Å²	141.1	60%	0.601	73%	0.732	S	S	*	*			cis	177.3	165.8	0.6	45.1	0	0	0	0	108.1
2378	N	23.6	Very low	25.9	Very low	129 Å²	129	139.3 Å²	139.3	69%	0.69	73%	0.729	S	S	*	*			trans	68.1	158.2	155.7	-73.4	35.3	0	0	0	115.6
2379	D	25.6	Very low	26.1	Very low	130 Å²	130	142.7 Å²	142.7	70%	0.695	73%	0.731	S	S	*	*			cis	-146.8	157.9	-4	-124	-20.4	0	0	0	113.8
2380	A	25.6	Very low	26.5	Very low	71 Å²	71	138.7 Å²	138.7	59%	0.587	72%	0.724	S	S	*	*				37.1	158.4	125.8	0	0	0	0	0	120.6
2381	E	25.6	Very low	26.4	Very low	175 Å²	175	135.9 Å²	135.9	82%	0.818	73%	0.726	S	S	*	*			cis	170.9	141.7	-6.6	-102	179.6	165.4	0	0	102.6
2382	Q	27.6	Very low	26.5	Very low	164 Å²	164	133.8 Å²	133.8	77%	0.766	72%	0.724	S	S	*	*	S	Bend	trans	-151.7	127	151.8	-74	-159.9	13.6	0	0	107.2
2383	K	28.4	Very low	26.5	Very low	163 Å²	163	134.1 Å²	134.1	71%	0.709	74%	0.735	S	S	*	*	S	Bend	cis	-153.7	157.1	3	-91.5	144.4	170.5	156.1	0	105.6
2384	T	28.2	Very low	26.5	Very low	119 Å²	119	131.1 Å²	131.1	73%	0.73	74%	0.738	S	S	*	*			cis	-170.5	158.5	-1.6	27.1	0	0	0	0	105
2385	V	27.8	Very low	26.7	Very low	110 Å²	110	129.7 Å²	129.7	67%	0.667	74%	0.738	S	S	*	*				-169.1	120.5	59.8	167.5	0	0	0	0	108.9
2386	N	27.8	Very low	26.5	Very low	145 Å²	145	129.5 Å²	129.5	78%	0.775	74%	0.741	S	S	*	*			trans	60.6	150.8	146.1	-60.6	3.6	0	0	0	120.4
2387	V	31	Very low	26.5	Very low	112 Å²	112	124 Å²	124	68%	0.679	73%	0.732	S	S	*	*			cis	-164.3	132.9	0.2	113.5	0	0	0	0	112.9
2388	I	30.1	Very low	26.6	Very low	134 Å²	134	125.6 Å²	125.6	69%	0.687	74%	0.738	S	S	*	*			trans	67.5	122.3	134.5	-75.8	173.6	0	0	0	123.3
2389	R	29.9	Very low	26.7	Very low	211 Å²	211	125.3 Å²	125.3	80%	0.796	74%	0.736	S	S	*	*			trans	66.8	169	139.7	-74.2	-168.8	141.9	144.3	-2.6	121.7
2390	D	27.7	Very low	26.8	Very low	126 Å²	126	127 Å²	127	67%	0.674	74%	0.74	S	S	*	*			cis	-159.8	175.5	-35.6	-106	-11.7	0	0	0	108.3
2391	S	23.6	Very low	27	Very low	119 Å²	119	129.4 Å²	129.4	83%	0.832	74%	0.743	S	S	*	*			trans	-60	150.3	177.1	56	0	0	0	0	116.9
2392	G	27.2	Very low	27.2	Very low	78 Å²	78	128.8 Å²	128.8	80%	0.804	74%	0.74	S	S	*	*			trans	172.9	140.4	157.6	0	0	0	0	0	114.5
2393	C	23.5	Very low	27.3	Very low	141 Å²	141	125.8 Å²	125.8	95%	0.953	73%	0.729	S	S	*	*			trans	-102	129.2	170.8	-63.8	0	0	0	0	110.5
2394	A	24.4	Very low	27.5	Very low	99 Å²	99	125.6 Å²	125.6	82%	0.818	73%	0.726	S	S	*	*			trans	-161.9	155.2	160.8	0	0	0	0	0	109.7
2395	P	28.9	Very low	27.8	Very low	110 Å²	110	126.4 Å²	126.4	71%	0.714	72%	0.716	S	S	*	*			trans	-107.5	168.8	-172.8	40.3	-34	0	0	0	114.8
2396	S	22.6	Very low	28	Very low	106 Å²	106	129 Å²	129	74%	0.741	72%	0.715	S	S	*	*			trans	58.5	150.8	143	60.7	0	0	0	0	122.2
2397	A	24.9	Very low	28	Very low	77 Å²	77	128.2 Å²	128.2	64%	0.636	71%	0.707	S	S	*	*			trans	79.2	111.6	155.3	0	0	0	0	0	115.2
2398	T	24.7	Very low	27.9	Very low	118 Å²	118	129.6 Å²	129.6	72%	0.724	71%	0.706	S	S	*	*				88.5	142.9	82.7	62.1	0	0	0	0	111.6
2399	D	25.1	Very low	27.7	Very low	123 Å²	123	131.5 Å²	131.5	66%	0.658	71%	0.712	S	S	*	*			cis	-159.8	-157.3	-15.2	-105.4	-27.2	0	0	0	108.1
2400	E	27.6	Very low	27.8	Very low	165 Å²	165	127.1 Å²	127.1	77%	0.771	70%	0.703	S	S	*	*			trans	72.5	134.8	147.6	-77.3	139.3	-141.1	0	0	117
2401	D	30.3	Very low	28	Very low	123 Å²	123	127.7 Å²	127.7	66%	0.658	71%	0.706	S	S	*	*			cis	-145.9	147.9	23.4	-82.7	-48.7	0	0	0	114.5
2402	E	30.7	Very low	28.5	Very low	162 Å²	162	128.3 Å²	128.3	76%	0.757	70%	0.7	S	S	*	*				48	149.6	129.6	-56.1	-175.4	156.1	0	0	121.7
2403	D	29.2	Very low	28.8	Very low	100 Å²	100	131 Å²	131	54%	0.535	70%	0.696	S	S	.	*			cis	-157.9	172.7	4.2	-128.3	-18.3	0	0	0	109
2404	Y	32.3	Very low	29.4	Very low	160 Å²	160	129.8 Å²	129.8	63%	0.627	68%	0.684	S	S	*	*			cis	-163.9	150.3	31.7	-116.1	-45.9	0	0	0	112.3
2405	Y	33.6	Very low	29.9	Very low	136 Å²	136	131.7 Å²	131.7	53%	0.533	68%	0.68	S	S	.	*			trans	61.1	141.4	146.1	-70.9	-45.1	0	0	0	121.9
2406	Y	33.2	Very low	30.1	Very low	164 Å²	164	134.2 Å²	134.2	64%	0.643	69%	0.688	S	S	*	*			cis	-129.8	141.1	-11.4	-94.9	-88.1	0	0	0	106.2
2407	E	27	Very low	30.5	Very low	129 Å²	129	135.9 Å²	135.9	60%	0.603	69%	0.689	S	S	*	*				65.5	147.4	63.5	-88.7	161.7	-132.5	0	0	113.3
2408	E	29.9	Very low	30.7	Very low	140 Å²	140	139.7 Å²	139.7	65%	0.654	69%	0.693	S	S	*	*			cis	-126	152.4	1.3	-90	135.7	135.7	0	0	108.6
2409	E	25.3	Very low	30.9	Very low	175 Å²	175	139.4 Å²	139.4	82%	0.818	69%	0.69	S	S	*	*				60.5	145.6	72.7	-53	-167.9	159.2	0	0	113.6
2410	I	33	Very low	31.1	Very low	119 Å²	119	140.9 Å²	140.9	61%	0.61	70%	0.698	S	S	*	*				-179.6	147.5	73.8	-85.6	179.7	0	0	0	108.6
2411	D	31.2	Very low	30.9	Very low	137 Å²	137	139.8 Å²	139.8	73%	0.733	70%	0.698	S	S	*	*			trans	57.3	152.3	161.4	-57	-9.9	0	0	0	120.1
2412	D	34	Very low	30.7	Very low	132 Å²	132	140.8 Å²	140.8	71%	0.706	70%	0.703	S	S	*	*			cis	-160.3	167.9	-2.7	-120.4	-22.6	0	0	0	111.5
2413	D	34.1	Very low	30.4	Very low	136 Å²	136	141.5 Å²	141.5	73%	0.727	71%	0.707	S	S	*	*			trans	62.4	118.5	156	-76.4	-27.5	0	0	0	124
2414	V	35.3	Very low	30.4	Very low	114 Å²	114	143.1 Å²	143.1	69%	0.691	72%	0.72	S	S	*	*				46.9	111.2	123.1	-179.4	0	0	0	0	117.4
2415	D	35.1	Very low	30	Very low	140 Å²	140	142 Å²	142	75%	0.749	73%	0.73	S	S	*	*			cis	-142.3	-171.2	19.7	-80.1	-45.1	0	0	0	109.5
2416	D	32.7	Very low	29.8	Very low	163 Å²	163	144.5 Å²	144.5	87%	0.872	75%	0.746	S	S	*	*			cis	-139	178.7	11.8	-11.3	-109.1	0	0	0	114.6
2417	D	30.5	Very low	29.6	Very low	141 Å²	141	144.1 Å²	144.1	75%	0.754	75%	0.75	S	S	*	*			trans	-74.8	140	-172.9	-88.3	-31.7	0	0	0	118.4
2418	H	30.8	Very low	29.9	Very low	157 Å²	157	145.2 Å²	145.2	73%	0.727	76%	0.759	S	S	*	*				39.6	145.4	127.7	-64.6	-47.9	0	0	0	123.5
2419	V	28.3	Very low	29.8	Very low	111 Å²	111	143 Å²	143	67%	0.673	76%	0.759	S	S	*	*			cis	94.3	128.5	26.9	174.2	0	0	0	0	115.2
2420	N	29.8	Very low	30.1	Very low	154 Å²	154	142.6 Å²	142.6	82%	0.824	76%	0.757	S	S	*	*			trans	70.4	157.8	162.8	-72.3	-4.5	0	0	0	121.9
2421	N	22.9	Very low	30	Very low	142 Å²	142	142.5 Å²	142.5	76%	0.759	76%	0.758	S	S	*	*			trans	-89.5	155.5	157.2	-41.5	-61.3	0	0	0	108.6
2422	D	26.1	Very low	30	Very low	144 Å²	144	143.9 Å²	143.9	77%	0.77	76%	0.76	S	S	*	*				163.3	126	119.9	-80.7	-17.3	0	0	0	113.6
2423	E	23.5	Very low	29.9	Very low	178 Å²	178	144.2 Å²	144.2	83%	0.832	76%	0.76	S	S	*	*			trans	52.6	175.7	144.5	-52.8	-158	135.5	0	0	123.7
2424	T	29.7	Very low	29.6	Very low	134 Å²	134	144.2 Å²	144.2	82%	0.822	76%	0.76	S	S	*	*			trans	69.7	123.2	-169.3	69.4	0	0	0	0	115.6
2425	V	24.8	Very low	29.4	Very low	136 Å²	136	146 Å²	146	82%	0.824	76%	0.764	S	S	*	*			cis	86.2	95.3	10.5	-166.8	0	0	0	0	117
2426	E	29.7	Very low	29	Very low	188 Å²	188	146.8 Å²	146.8	88%	0.879	77%	0.767	S	S	*	*			trans	169.5	153.8	150.3	-98	178	-158.5	0	0	107.2
2427	E	27.6	Very low	28.7	Very low	157 Å²	157	145.2 Å²	145.2	73%	0.734	76%	0.764	S	S	*	*			cis	-161	173.1	-34.2	-147.7	-169.3	-160.3	0	0	108.7
2428	I	33	Very low	28.6	Very low	151 Å²	151	144 Å²	144	77%	0.774	77%	0.766	S	S	*	*			trans	76.9	138.6	159.5	-60.3	158.3	0	0	0	119.2
2429	S	27.5	Very low	28.5	Very low	95 Å²	95	142.5 Å²	142.5	66%	0.664	77%	0.774	S	S	*	*			trans	-94.3	160.6	-167.8	53.6	0	0	0	0	116.4
2430	E	32.6	Very low	28.6	Very low	165 Å²	165	140.8 Å²	140.8	77%	0.771	78%	0.778	S	S	*	*				-178.3	136.3	106.2	-99.8	-167.4	-172.6	0	0	116.2
2431	N	31.3	Very low	28.6	Very low	118 Å²	118	140.6 Å²	140.6	63%	0.631	78%	0.783	S	S	*	*			trans	70.3	113.9	143	-67.8	-39.6	0	0	0	124.7
2432	H	31	Very low	29.2	Very low	166 Å²	166	141.3 Å²	141.3	77%	0.769	79%	0.785	S	S	*	*			trans	90.6	110.5	138.4	-85.4	-67.1	0	0	0	124.1
2433	I	31	Very low	29.2	Very low	139 Å²	139	139.2 Å²	139.2	71%	0.713	78%	0.781	S	S	*	*			trans	97.3	116.4	140.2	-60.9	171.1	0	0	0	119.3
2434	D	28.4	Very low	29.2	Very low	135 Å²	135	137 Å²	137	72%	0.722	78%	0.78	S	S	*	*			trans	65.6	96.3	155.8	-59.4	-7.4	0	0	0	124.2
2435	I	30.8	Very low	29	Very low	152 Å²	152	135.3 Å²	135.3	78%	0.779	77%	0.774	S	S	*	*			trans	52.7	119.5	131.4	-49.1	168.9	0	0	0	119.1
2436	L	26.8	Very low	28.9	Very low	156 Å²	156	136.1 Å²	136.1	82%	0.817	77%	0.773	S	S	*	*			cis	-162.6	164	-33.1	-120.7	173.6	0	0	0	108
2437	T	26.6	Very low	28.9	Very low	130 Å²	130	133.9 Å²	133.9	80%	0.798	77%	0.773	S	S	*	*			trans	-123.9	-168.6	-147.3	48.3	0	0	0	0	116.9
2438	S	27.9	Very low	28.9	Very low	115 Å²	115	131 Å²	131	80%	0.804	77%	0.77	S	S	*	*			trans	-82.5	-174.7	-165.5	52.8	0	0	0	0	116.6
2439	S	28.8	Very low	28.8	Very low	127 Å²	127	130.1 Å²	130.1	89%	0.888	77%	0.772	S	S	*	*			trans	-53.3	151.5	-179.1	-42.5	0	0	0	0	116.5
2440	G	30.4	Very low	28.6	Very low	74 Å²	74	130.1 Å²	130.1	76%	0.763	77%	0.77	S	S	*	*			trans	-165.2	171.2	172.3	0	0	0	0	0	112.6
2441	T	30.7	Very low	28.4	Very low	150 Å²	150	131.7 Å²	131.7	92%	0.92	77%	0.774	S	S	*	*			trans	-104.2	-168.4	-172.1	48.9	0	0	0	0	114.1
2442	I	35.7	Very low	28.1	Very low	158 Å²	158	134.1 Å²	134.1	81%	0.81	78%	0.779	S	S	*	*			trans	-141.5	141.8	-147.5	-73.4	169.8	0	0	0	109.8
2443	S	26.1	Very low	27.8	Very low	99 Å²	99	131.3 Å²	131.3	69%	0.692	77%	0.774	S	S	*	*			cis	-172.5	179.7	-16.3	62	0	0	0	0	109.2
2444	T	23.8	Very low	27.5	Very low	132 Å²	132	125.6 Å²	125.6	81%	0.81	75%	0.749	S	S	*	*			trans	-156	155.6	158.5	-2.8	0	0	0	0	112.4
2445	S	25.3	Very low	27.3	Very low	98 Å²	98	125.1 Å²	125.1	69%	0.685	75%	0.751	S	S	*	*			trans	47.6	100.7	163	58.1	0	0	0	0	119.4
2446	D	22.3	Very low	27	Very low	153 Å²	153	119.5 Å²	119.5	82%	0.818	73%	0.727	S	S	*	*				46.8	96.4	123.3	-52.5	-28.1	0	0	0	119.6
2447	T	28.7	Very low	26.9	Very low	141 Å²	141	116.1 Å²	116.1	87%	0.865	72%	0.716	S	S	*	*				-161.3	160.6	114.6	9.6	0	0	0	0	112.4
2448	S	28.6	Very low	27	Very low	96 Å²	96	117 Å²	117	67%	0.671	72%	0.715	S	S	*	*			trans	-24.1	139.2	172.1	53	0	0	0	0	117
2449	T	30	Very low	27.1	Very low	133 Å²	133	119.9 Å²	119.9	82%	0.816	71%	0.713	S	S	*	*			cis	-139.6	117.4	34.4	49.4	0	0	0	0	115.9
2450	P	24	Very low	26.8	Very low	96 Å²	96	120.5 Å²	120.5	62%	0.623	71%	0.706	S	S	*	*			trans	-87	150.2	148.2	34.9	-32.3	0	0	0	111.4
2451	K	29	Very low	26.4	Very low	198 Å²	198	124.3 Å²	124.3	86%	0.861	71%	0.709	S	S	*	*			trans	-171.9	120.8	149.6	-97.8	140.9	-170.3	-178.2	0	108.1
2452	F	25.4	Very low	26.3	Very low	169 Å²	169	121 Å²	121	74%	0.741	70%	0.697	S	S	*	*				73.5	131.5	64.8	-80.5	-114.4	0	0	0	112.2
2453	V	23.9	Very low	25.6	Very low	107 Å²	107	117.8 Å²	117.8	65%	0.648	69%	0.689	S	S	*	*			cis	77	137.8	35.1	-179.3	0	0	0	0	111.7
2454	G	24.4	Very low	25.8	Very low	19 Å²	19	119.8 Å²	119.8	20%	0.196	69%	0.691	C	S	.	*			cis	167.1	162	-0.2	0	0	0	0	0	111	V2545 D2546	G2454-V2545 CarbonylContact C-O 3.49Å; G2454-D2546 CarbonylContact C-O 3.37Å; G2454-D2546 VanDerWaalsContact C-O 3.25Å; G2454-D2546 WeakPolarHBondContact CA-O 3.09Å
2455	V	24.1	Very low	26	Very low	125 Å²	125	119.4 Å²	119.4	76%	0.758	68%	0.684	S	S	*	*			trans	111.1	-120.6	-168.9	-173.9	0	0	0	0	119.9	V2545 D2546	V2455-V2545 VanDerWaalsContact C-C 3.48Å; V2455-V2545 CarbonylContact C-O 3.51Å; V2455-V2545 WeakPolarHBondContact CA-O 3.27Å; V2455-V2545 PolarHBondContact N-O 2.76Å; V2455-D2546 PolarHBondContact N-O 3.39Å
2456	A	24.5	Very low	25.9	Very low	34 Å²	34	121.8 Å²	121.8	28%	0.281	68%	0.684	S	S	.	*	B	Isolated β-bridge	trans	-138.3	143.9	-141.7	0	0	0	0	0	124.8	Y2544 V2545	A2456-Y2544 PolarHBondContact N-O 2.92Å; A2456-Y2544 CarbonylContact O-C 3.56Å; A2456-Y2544 WeakPolarHBondContact O-CA 3.42Å; A2456-Y2544 PolarHBondContact O-N 3.28Å; A2456-V2545 PolarHBondContact N-O 2.97Å; A2456-V2545 PolarHBondContact O-N 2.77Å
2457	S	25.7	Very low	25.9	Very low	85 Å²	85	119.4 Å²	119.4	59%	0.594	68%	0.68	S	S	*	*				53.7	134.7	126.4	81.9	0	0	0	0	127.4
2458	I	28.4	Very low	25.9	Very low	148 Å²	148	119 Å²	119	76%	0.759	67%	0.672	S	S	*	*			trans	82.4	101.6	139.2	-68.5	165.7	0	0	0	121.4
2459	F	28.7	Very low	25.7	Very low	176 Å²	176	121.6 Å²	121.6	77%	0.772	67%	0.674	S	S	*	*			trans	57.2	144.5	135.6	-79.3	-84.3	0	0	0	125.7
2460	D	23.6	Very low	25.4	Very low	140 Å²	140	121.9 Å²	121.9	75%	0.749	67%	0.669	S	S	*	*			trans	60.3	134.6	165.1	-52.3	-26.9	0	0	0	116.7
2461	D	22.6	Very low	25.6	Very low	154 Å²	154	122.3 Å²	122.3	82%	0.824	67%	0.666	S	S	*	*			cis	-159.5	172.7	14.5	-150.5	-22.4	0	0	0	110.8
2462	A	27.1	Very low	25.6	Very low	80 Å²	80	120.4 Å²	120.4	66%	0.661	66%	0.658	S	S	*	*			trans	65.8	141.3	175.7	0	0	0	0	0	116.4
2463	S	22.5	Very low	25.8	Very low	91 Å²	91	118.2 Å²	118.2	64%	0.636	66%	0.659	S	S	*	*			cis	66.2	132.7	40.5	-153.1	0	0	0	0	111.4
2464	L	30.3	Very low	25.8	Very low	140 Å²	140	117.9 Å²	117.9	73%	0.733	66%	0.661	S	S	*	*			cis	-123.6	168	22.3	-82.2	71.1	0	0	0	110.5
2465	D	27	Very low	25.9	Very low	125 Å²	125	122 Å²	122	67%	0.668	69%	0.687	S	S	*	*			cis	-141.1	136.6	-0.4	-103.4	-26.4	0	0	0	106.6
2466	Q	23.5	Very low	26.2	Very low	147 Å²	147	123.6 Å²	123.6	69%	0.687	69%	0.69	S	S	*	*				51.9	98.3	66.4	-69.3	-156.9	16.7	0	0	115.9	N2468	Q2466-N2468 PolarHBondContact O-N 2.89Å
2467	S	21.7	Very low	26.3	Very low	104 Å²	104	129.2 Å²	129.2	73%	0.727	71%	0.71	S	S	*	*			trans	20.9	90.1	133.4	57	0	0	0	0	118.4
2468	N	28.6	Very low	26.3	Very low	131 Å²	131	131.3 Å²	131.3	70%	0.701	71%	0.714	S	S	*	*			trans	-142	114.8	139.5	-90.6	-50.7	0	0	0	107.4	Q2466	Q2466-N2468 PolarHBondContact O-N 2.89Å
2469	Q	24.3	Very low	26.3	Very low	152 Å²	152	130.6 Å²	130.6	71%	0.71	71%	0.712	S	S	*	*				72.5	130.7	86.8	-77.8	-168.4	33.9	0	0	112.7
2470	L	24.5	Very low	26.2	Very low	139 Å²	139	128.8 Å²	128.8	73%	0.728	71%	0.71	S	S	*	*			trans	53.4	113.9	149.5	-57.2	167	0	0	0	115.4
2471	D	28.4	Very low	26.5	Very low	104 Å²	104	128.9 Å²	128.9	56%	0.556	71%	0.71	S	S	*	*				-170.8	153.6	52.5	-118.2	-29.2	0	0	0	114.9
2472	K	29.1	Very low	26.9	Very low	158 Å²	158	127.7 Å²	127.7	69%	0.687	70%	0.702	S	S	*	*			trans	61.3	129.4	140.6	-70.8	155.1	-167.9	151.1	0	123.2
2473	T	28.1	Very low	26.9	Very low	123 Å²	123	129.2 Å²	129.2	76%	0.755	70%	0.699	S	S	*	*			trans	72.1	90	135.3	55.5	0	0	0	0	121.9
2474	S	25.3	Very low	27.1	Very low	100 Å²	100	131 Å²	131	70%	0.699	70%	0.701	S	S	*	*				61.4	125.4	115	62.7	0	0	0	0	123.3
2475	S	25	Very low	27	Very low	107 Å²	107	130.4 Å²	130.4	75%	0.748	70%	0.699	S	S	*	*			trans	68.3	128	146	65.1	0	0	0	0	121.1
2476	I	30.4	Very low	26.9	Very low	157 Å²	157	129.5 Å²	129.5	81%	0.805	70%	0.698	S	S	*	*				-173.6	138.5	111.6	-93.5	156.6	0	0	0	111.7
2477	H	26.7	Very low	27.1	Very low	153 Å²	153	129.7 Å²	129.7	71%	0.708	70%	0.702	S	S	*	*			trans	23.4	128.5	160.6	-72.8	-90.9	0	0	0	125.7
2478	D	27.3	Very low	27.2	Very low	128 Å²	128	131.4 Å²	131.4	68%	0.684	70%	0.703	S	S	*	*				70.2	134.3	121	-54.2	-1.5	0	0	0	126.5
2479	D	27.7	Very low	27	Very low	134 Å²	134	131.2 Å²	131.2	72%	0.717	71%	0.706	S	S	*	*			trans	86.1	121.3	132	-87	6.2	0	0	0	126.4
2480	L	27.1	Very low	27.1	Very low	138 Å²	138	130.5 Å²	130.5	72%	0.723	71%	0.712	S	S	*	*				91.5	142.8	128.8	-75.4	172.1	0	0	0	124.1
2481	L	29.1	Very low	27.2	Very low	142 Å²	142	128 Å²	128	74%	0.743	71%	0.711	S	S	*	*			trans	63.5	157.8	165.2	-84.7	85.5	0	0	0	119.7
2482	I	31.8	Very low	27.5	Very low	129 Å²	129	128 Å²	128	66%	0.662	72%	0.717	S	S	*	*			cis	-163.5	154.1	-44.6	-129.9	177.4	0	0	0	109.9
2483	D	26.7	Very low	27.3	Very low	112 Å²	112	124.2 Å²	124.2	60%	0.599	71%	0.709	S	S	*	*			trans	33.9	121.5	152.1	-61.3	-5.7	0	0	0	121.8
2484	N	27.3	Very low	27.3	Very low	128 Å²	128	124.3 Å²	124.3	68%	0.684	71%	0.712	S	S	*	*				85.8	159.5	91.8	-59	-21.2	0	0	0	113.4
2485	D	27	Very low	27.3	Very low	127 Å²	127	123.5 Å²	123.5	68%	0.679	71%	0.711	S	S	*	*			cis	-157.4	146.3	-0.8	-129.3	11.4	0	0	0	111.7
2486	V	26.1	Very low	27.3	Very low	107 Å²	107	125.7 Å²	125.7	65%	0.648	71%	0.713	S	S	*	*				55.8	141.8	127	-178.4	0	0	0	0	118.7
2487	I	27.7	Very low	27	Very low	151 Å²	151	126.1 Å²	126.1	77%	0.774	71%	0.709	S	S	*	*				-160.4	147	77.7	-72.3	161.7	0	0	0	112
2488	D	23.7	Very low	26.9	Very low	139 Å²	139	125.9 Å²	125.9	74%	0.743	71%	0.71	S	S	*	*			trans	-20.6	169.7	158.5	-56.7	-39.9	0	0	0	119.4
2489	V	23.8	Very low	26.8	Very low	128 Å²	128	125.2 Å²	125.2	78%	0.776	72%	0.716	S	S	*	*			cis	-159.4	168.4	35.9	-161.6	0	0	0	0	112
2490	V	26.5	Very low	26.8	Very low	137 Å²	137	122 Å²	122	83%	0.83	71%	0.714	S	S	*	*			trans	104.9	139	155.2	-173.4	0	0	0	0	118.3
2491	A	26.1	Very low	26.6	Very low	85 Å²	85	122.8 Å²	122.8	70%	0.702	72%	0.717	S	S	*	*			trans	-135.9	167.1	163.7	0	0	0	0	0	107.7
2492	P	34.2	Very low	26.5	Very low	105 Å²	105	122.5 Å²	122.5	68%	0.682	72%	0.721	S	S	*	*			cis	-139.4	178.5	17.9	41.6	-22	0	0	0	116.6
2493	C	26	Very low	26.4	Very low	78 Å²	78	122.8 Å²	122.8	53%	0.527	73%	0.73	S	S	.	*			trans	-74.9	161.7	178.5	-17.9	0	0	0	0	115.4	R1495	R1495-C2493 PolarHBondContact NH2-SG 3.17Å
2494	P	27.6	Very low	26.4	Very low	126 Å²	126	122.6 Å²	122.6	82%	0.818	74%	0.737	S	S	*	*				-108.4	-157.8	129.3	38.2	-31.6	0	0	0	110.8
2495	A	25	Very low	26.7	Very low	82 Å²	82	124.1 Å²	124.1	68%	0.678	74%	0.744	S	S	*	*			trans	-140.5	156.2	-177	0	0	0	0	0	111.9
2496	I	25.2	Very low	26.5	Very low	153 Å²	153	125 Å²	125	79%	0.785	75%	0.748	S	S	*	*			trans	73.3	136.4	163.2	-63.4	163.6	0	0	0	113.1
2497	F	24.6	Very low	27	Very low	167 Å²	167	125.2 Å²	125.2	73%	0.732	75%	0.752	S	S	*	*			cis	-157.8	163.8	13.4	-132	-27.6	0	0	0	112.4
2498	M	24.3	Very low	27.6	Very low	148 Å²	148	122.7 Å²	122.7	73%	0.729	75%	0.745	S	S	*	*			trans	63.6	159.9	155.7	-59.5	-50.6	-175.5	0	0	118
2499	S	24.8	Very low	27.7	Very low	114 Å²	114	121.9 Å²	121.9	80%	0.797	75%	0.745	S	S	*	*			cis	-149.9	176	4.8	40.2	0	0	0	0	108.8
2500	G	27.5	Very low	27.9	Very low	66 Å²	66	123 Å²	123	68%	0.68	75%	0.745	S	S	*	*			cis	-152	160.3	-0.9	0	0	0	0	0	109.6
2501	I	23.8	Very low	28	Very low	154 Å²	154	122.7 Å²	122.7	79%	0.79	74%	0.738	S	S	*	*				75	102.5	66.1	-59.8	170	0	0	0	114.2
2502	T	25.8	Very low	28.1	Very low	136 Å²	136	124.3 Å²	124.3	83%	0.834	74%	0.739	S	S	*	*			trans	173.3	139.4	139.2	26.7	0	0	0	0	104.8
2503	T	30.3	Very low	27.8	Very low	136 Å²	136	124.5 Å²	124.5	83%	0.834	74%	0.738	S	S	*	*			cis	-143.6	-179.1	18.4	48.5	0	0	0	0	107.9
2504	S	26.4	Very low	27.9	Very low	107 Å²	107	126.6 Å²	126.6	75%	0.748	75%	0.749	S	S	*	*			cis	-175.8	-174	-29.9	-177.1	0	0	0	0	106.6
2505	I	33.4	Very low	27.9	Very low	161 Å²	161	127 Å²	127	83%	0.826	75%	0.749	S	S	*	*			trans	77.8	79.2	166.6	-43.8	-179.1	0	0	0	117.3
2506	D	23	Very low	28.2	Very low	146 Å²	146	129.8 Å²	129.8	78%	0.781	76%	0.758	S	S	*	*			trans	-75	-179.4	136.9	-96.3	-43.6	0	0	0	110.3
2507	P	38	Very low	28.4	Very low	111 Å²	111	129.6 Å²	129.6	72%	0.721	76%	0.759	S	S	*	*			cis	-133.9	-124.4	-30.4	32.9	-8.6	0	0	0	112.7
2508	P	39	Very low	28.6	Very low	97 Å²	97	127.9 Å²	127.9	63%	0.63	76%	0.756	S	S	*	*				-132.6	-179.6	-90.9	36.5	-16.5	0	0	0	118.3
2509	T	25.8	Very low	28.9	Very low	123 Å²	123	127.9 Å²	127.9	76%	0.755	76%	0.757	S	S	*	*			trans	66.7	142.6	144.8	42.3	0	0	0	0	122.5
2510	I	28.7	Very low	29.3	Very low	151 Å²	151	127.2 Å²	127.2	77%	0.774	75%	0.748	S	S	*	*				-158	123.2	118	-104.3	157.6	0	0	0	111.6
2511	I	27.9	Very low	29.6	Very low	131 Å²	131	130.3 Å²	130.3	67%	0.672	75%	0.749	S	S	*	*				41.4	134.7	129.9	-41.8	173.1	0	0	0	117.9	T2513	I2511-T2513 HydrophobicContact CG2-CG2 4.21Å
2512	T	29.4	Very low	30.1	Very low	119 Å²	119	129.2 Å²	129.2	73%	0.73	75%	0.745	S	S	*	*				-144.5	138.3	54	42.6	0	0	0	0	112.2
2513	T	26.2	Very low	30.3	Very low	108 Å²	108	129.1 Å²	129.1	66%	0.663	74%	0.739	S	S	*	*				61.3	153.1	72.5	75.8	0	0	0	0	114.4	I2511	I2511-T2513 HydrophobicContact CG2-CG2 4.21Å
2514	T	29.8	Very low	30.5	Very low	123 Å²	123	128 Å²	128	76%	0.755	73%	0.733	S	S	*	*			cis	-154.1	168.9	21.3	-33.5	0	0	0	0	112.6
2515	T	27	Very low	30.6	Very low	133 Å²	133	128.1 Å²	128.1	82%	0.816	73%	0.729	S	S	*	*			trans	-76.6	-176.5	162.8	37	0	0	0	0	113.3
2516	T	31.7	Very low	30.3	Very low	141 Å²	141	127.2 Å²	127.2	87%	0.865	72%	0.724	S	S	*	*			trans	-69.5	169.8	-169.9	45.4	0	0	0	0	116.8
2517	N	28.3	Very low	30.6	Very low	149 Å²	149	125 Å²	125	80%	0.797	72%	0.717	S	S	*	*			trans	-64	139.2	-172.6	-85.4	-18.9	0	0	0	116.8
2518	I	29.3	Very low	30.2	Very low	132 Å²	132	125.4 Å²	125.4	68%	0.677	72%	0.717	S	S	*	*			trans	74.5	111.5	133.1	-66.1	174.1	0	0	0	119
2519	I	30	Very low	29.8	Very low	147 Å²	147	127.1 Å²	127.1	75%	0.754	72%	0.721	S	S	*	*			trans	71.6	133.3	146.8	-65.6	176.1	0	0	0	117.8
2520	T	34.1	Very low	30.1	Very low	100 Å²	100	128.1 Å²	128.1	61%	0.613	72%	0.72	S	S	*	*			cis	-166.7	150.7	-15.5	32.4	0	0	0	0	110.9
2521	N	34.2	Very low	30.1	Very low	131 Å²	131	123.5 Å²	123.5	70%	0.701	71%	0.709	S	S	*	*			trans	54	151	132.1	-57.1	2	0	0	0	121.2
2522	N	33.5	Very low	29.9	Very low	131 Å²	131	128 Å²	128	70%	0.701	72%	0.718	S	S	*	*			cis	-164.4	-172.6	-6.6	-112.6	-4.9	0	0	0	110.8
2523	N	30.3	Very low	29.7	Very low	134 Å²	134	128.2 Å²	128.2	72%	0.717	72%	0.715	S	S	*	*			trans	87.3	97.5	165.5	-65.8	-0.8	0	0	0	114.9
2524	T	33.7	Very low	29.6	Very low	113 Å²	113	129.5 Å²	129.5	69%	0.693	72%	0.717	S	S	*	*				79.3	137.4	73.9	62.8	0	0	0	0	112.2
2525	T	28.8	Very low	29.4	Very low	109 Å²	109	128.4 Å²	128.4	67%	0.669	72%	0.715	S	S	*	*			cis	-167.1	175.1	20.6	-7.2	0	0	0	0	111.5
2526	I	26.9	Very low	29.5	Very low	143 Å²	143	129.3 Å²	129.3	73%	0.733	71%	0.71	S	S	*	*			trans	72.4	133	144.1	-75.7	160.9	0	0	0	116.8
2527	T	29.2	Very low	29.4	Very low	100 Å²	100	131.1 Å²	131.1	61%	0.613	71%	0.706	S	S	*	*			cis	-170.1	152.8	-5.8	26.7	0	0	0	0	111.4
2528	T	30.6	Very low	29.1	Very low	118 Å²	118	128.2 Å²	128.2	72%	0.724	70%	0.697	S	S	*	*			trans	62.1	171.8	145.3	61	0	0	0	0	117.9
2529	N	30.8	Very low	29	Very low	134 Å²	134	127.4 Å²	127.4	72%	0.717	70%	0.699	S	S	*	*			cis	-156.8	164.4	-6.2	-122.5	0.6	0	0	0	107.4
2530	I	31.7	Very low	29.1	Very low	143 Å²	143	126.7 Å²	126.7	73%	0.733	70%	0.701	S	S	*	*			cis	-150.3	166.6	-13.3	-151.6	175.6	0	0	0	107.1
2531	G	29.2	Very low	28.7	Very low	54 Å²	54	126.8 Å²	126.8	56%	0.557	71%	0.706	S	S	*	*				59.7	103.3	96.3	0	0	0	0	0	114.4
2532	R	24.2	Very low	28.4	Very low	226 Å²	226	127.1 Å²	127.1	85%	0.853	72%	0.719	S	S	*	*				91.7	121.5	59.5	-86.2	-167.4	172.3	140.5	-1.5	114.7
2533	N	24	Very low	28.3	Very low	123 Å²	123	123.4 Å²	123.4	66%	0.658	71%	0.712	S	S	*	*			trans	74.7	160.8	132.4	-66	26.6	0	0	0	121.6
2534	D	24.4	Very low	28.3	Very low	135 Å²	135	126 Å²	126	72%	0.722	71%	0.713	S	S	*	*			trans	61.2	94.5	152.8	-55	-31.9	0	0	0	118
2535	S	25.4	Very low	28.2	Very low	101 Å²	101	123.5 Å²	123.5	71%	0.706	70%	0.697	S	S	*	*				118.5	168.1	78.8	68.7	0	0	0	0	109.4
2536	Q	30.1	Very low	28.2	Very low	152 Å²	152	122.8 Å²	122.8	71%	0.71	69%	0.689	S	S	*	*			cis	-140.1	166.4	10.6	-55.1	-177.8	13.5	0	0	111.4
2537	K	28	Very low	28.3	Very low	178 Å²	178	120.6 Å²	120.6	77%	0.774	69%	0.687	S	S	*	*				27.3	154	129.1	-62	173.4	-175.1	174.3	0	121.6
2538	S	23.7	Very low	28.3	Very low	89 Å²	89	120.4 Å²	120.4	62%	0.622	69%	0.689	S	S	*	*			cis	180	-177.7	-16.6	57.4	0	0	0	0	110.4
2539	T	27.2	Very low	28.3	Very low	114 Å²	114	121.9 Å²	121.9	70%	0.699	69%	0.693	S	S	*	*			trans	75.5	130.4	147	36.4	0	0	0	0	122.1
2540	T	30.2	Very low	28.5	Very low	132 Å²	132	127 Å²	127	81%	0.81	72%	0.72	S	S	*	*			trans	67.3	145.5	149.5	49.9	0	0	0	0	121
2541	S	26.6	Very low	28.3	Very low	103 Å²	103	126.3 Å²	126.3	72%	0.72	72%	0.72	S	S	*	*			cis	178.2	149.9	-26.5	47.8	0	0	0	0	111.6
2542	S	29.1	Very low	28.3	Very low	138 Å²	138	130.1 Å²	130.1	97%	0.965	73%	0.728	S	S	*	*			trans	76.2	148	166.5	-158.6	0	0	0	0	118.4
2543	G	30.9	Very low	28.5	Very low	53 Å²	53	124.7 Å²	124.7	55%	0.546	72%	0.721	S	S	.	*			trans	-159	-109.1	-170.3	0	0	0	0	0	116.7
2544	Y	30.7	Very low	28.8	Very low	188 Å²	188	124.8 Å²	124.8	74%	0.737	73%	0.725	S	S	*	*	B	Isolated β-bridge	trans	96.6	152.2	169.6	-121.6	-84.6	0	0	0	121.8	A2456	A2456-Y2544 PolarHBondContact N-O 2.92Å; A2456-Y2544 CarbonylContact O-C 3.56Å; A2456-Y2544 WeakPolarHBondContact O-CA 3.42Å; A2456-Y2544 PolarHBondContact O-N 3.28Å
2545	V	31.6	Very low	29	Very low	61 Å²	61	124.2 Å²	124.2	37%	0.37	73%	0.725	S	S	.	*			trans	68.7	112.6	167.1	-167.7	0	0	0	0	119.4	G2454 V2455 A2456	G2454-V2545 CarbonylContact C-O 3.49Å; V2455-V2545 VanDerWaalsContact C-C 3.48Å; V2455-V2545 CarbonylContact C-O 3.51Å; V2455-V2545 WeakPolarHBondContact CA-O 3.27Å; V2455-V2545 PolarHBondContact N-O 2.76Å; A2456-V2545 PolarHBondContact N-O 2.97Å; A2456-V2545 PolarHBondContact O-N 2.77Å
2546	D	28.9	Very low	29.3	Very low	93 Å²	93	125.7 Å²	125.7	50%	0.497	73%	0.727	S	S	.	*			trans	62.4	143	140.6	-49.9	-6.7	0	0	0	131.3	G2454 V2455	G2454-D2546 CarbonylContact C-O 3.37Å; G2454-D2546 VanDerWaalsContact C-O 3.25Å; G2454-D2546 WeakPolarHBondContact CA-O 3.09Å; V2455-D2546 PolarHBondContact N-O 3.39Å
2547	S	28.1	Very low	29.2	Very low	98 Å²	98	123.9 Å²	123.9	69%	0.685	73%	0.728	S	S	*	*			trans	49.3	140.7	133.7	-56.8	0	0	0	0	129.2
2548	S	29.9	Very low	29.3	Very low	96 Å²	96	119.7 Å²	119.7	67%	0.671	72%	0.724	S	S	*	*			trans	105.3	105.1	138.5	-83.5	0	0	0	0	123.1
2549	D	29.9	Very low	29.8	Very low	148 Å²	148	122.3 Å²	122.3	79%	0.791	73%	0.733	S	S	*	*				64.3	86	126.4	-45.2	-43.1	0	0	0	121.8
2550	D	34.5	Very low	30	Very low	243 Å²	243	123 Å²	123	100%	1.299	74%	0.736	S	S	*	*				-159.2	0	108	-138	18.2	0	0	0	110.6

Retrieved 2,550 of 2,550 residues in 359.7 ms (Link to these results)

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