A0A3Q0KEW9_SCHMA Loading...

PWWP domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KEW9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,356 aa.

						>A0A3Q0KEW9_SCHMA|A0A3Q0KEW9
MASSSAAEGMSITKGGSILVKVEDLTGELISVKLIDGDKIFRGILLQETIGKFNEYGTNLERITSAPFWPPLSATTSGINLKTIPCSTERYSYKLEGQPSNLNVFQPDPTKRSHRNQPAPQLSRILRPRRFVCRKCKKAFHLEEHGTELSSSFLTDLIDRRTCDSSALSSDNEVSHYLPKSNISDQITPAILNGNSQSIRHVTPPIIPKLNEEMKINVDDSSKSEIDSSSDIRSKSKKHFISEQSTKTPESLEPKLVMSKKRKVDVPDKQKLKRIKLSSQKLTEPNNVSNTVLVATPPVVNPDSSSDPALPSSFSEETKDFSTSPSLVGKTNSVDSLSSQEQTRKNRIKAQYVSVTSPFRYPFGKKTRISSKQEIGNVSSISDSRIKVESNAIRKGSEKSEINSLTSSKTNLGVRKNSRYRTRTQLNPLSVTSDSLGPSCSVKDLEDRSEVDEILPSDSLDGDFPQKENIPNSISPRLSSPSKEKYSTSVQLTCKTSTYGHNSASNNFGVPMGETNFSPQSRRKAFDYEKPKNRWMREARARRCQDERNSIPSSTATSHISSSSNNTDTDNSTSCNPQSPSLNRLRIRSGDGSSVSPSESALKSNNNVSSKVKLPNGSLNNRNSESGDASQSEKYLDITDQKSASTSHVSPCLTPTSDSSGLALPVIKIKINRNRQPSGCSKTVPTHYEVVKLQTGSNQQLATSASKVVSEQNSLIANANPSALKLDIQCNGLRSPSPSPSAGSSKKGSTCESLIMSGPLVRRCKLHDGIVFRVGDLVWSKLSGWPYWPAQITSIQRVVANENDLPNSEQVRTVVDSQEKSSPLLTSEQVCYTACLHWFAWHQVSYMPCDKLFHFLEHCKRFDNKKKRGVFRQAVNEAKQAAEKRQETHSTDSESDWDHELSGGIVHQQSLSQSSEIPVLDGSKESEVSQTASSLSIPDINPDKEVNATTKQSKYPNNKVRKSKTKVCRKEQGASVLCPSVVDSSNTSLGQTNLNNMDGEVTASIESKLHVISKRRSKQQTKNKVYPNTSEDKKILVGEYDSLTNTKSNVRLKIILSKPKSKSKLKCAKVLSNNTQNSFENEVNISSLPNLDVPNTDNKIHQIVENSSKDTESPFTSEIIPESNISTTDSQDFDKTFSATHSELLTQFPHVFPDLKVSGILSDTVEIPTFSEDESEEEDAGRLIIDPDVMASVNVPLSTGNHHYITETLKQDPDVLREDLYSLSSDNMSYNHELSSQAFDSIHPYSRTSSTTLPQSSMSSFGNPVYSSDSFTHSFNSSTYSTECLISQPVSVYPTHNQSLIQTVLPSLTTPPLLASSTVSNLSVPSRSAYFQPSHVKVPSTTTHNVSYVTTEYSTL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39	Very low	38.6	Very low	249 Å²	249	124.7 Å²	124.7	100%	1.227	82%	0.817	S	S	*	*				0	142.9	0	-61.4	173.8	-178.4	0	0	107.3
2	A	36.9	Very low	40.8	Very low	104 Å²	104	122.3 Å²	122.3	86%	0.86	79%	0.79	S	S	*	*			cis	-125.4	155.6	-3.8	0	0	0	0	0	110.7
3	S	28.8	Very low	42.8	Very low	112 Å²	112	120.2 Å²	120.2	78%	0.783	77%	0.774	S	S	*	*			trans	-107	-174.4	-179.1	49.2	0	0	0	0	111.3
4	S	32.7	Very low	44.7	Very low	115 Å²	115	123.6 Å²	123.6	80%	0.804	77%	0.771	S	S	*	*			trans	73.4	146.3	178.8	-76.2	0	0	0	0	116.4
5	S	30	Very low	46.4	Very low	104 Å²	104	118.6 Å²	118.6	73%	0.727	75%	0.753	S	S	*	*			cis	-168.9	162.3	-14.9	45.4	0	0	0	0	111.3
6	A	28.6	Very low	48.1	Very low	100 Å²	100	112.5 Å²	112.5	83%	0.826	72%	0.719	S	S	*	*			trans	57.7	96.5	153.5	0	0	0	0	0	119.1
7	A	37.6	Very low	50	Low	102 Å²	102	109.1 Å²	109.1	84%	0.843	70%	0.699	S	S	*	*			trans	-141.8	117.6	138.1	0	0	0	0	0	108.1
8	E	36.7	Very low	52	Low	197 Å²	197	104.7 Å²	104.7	92%	0.921	67%	0.669	S	S	*	*			trans	-73.1	146.5	-178.4	-67.6	176.6	103.1	0	0	111.5
9	G	40.4	Very low	53.7	Low	67 Å²	67	103.7 Å²	103.7	69%	0.691	66%	0.658	S	S	*	*			trans	-65.5	136.1	-170.7	0	0	0	0	0	113.8	S11	G9-S11 PolarHBondContact O-N 2.6Å
10	M	56.7	Low	55.6	Low	118 Å²	118	99 Å²	99	58%	0.581	63%	0.628	S	S	*	*			trans	-63.5	96.6	175.6	-72.2	-163.7	175.1	0	0	111.6	I12	M10-I12 VanDerWaalsContact C-N 3.31Å; M10-I12 HydrophobicContact CB-CG1 4.48Å; M10-I12 PolarHBondContact O-N 2.78Å
11	S	57	Low	57.2	Low	104 Å²	104	98.5 Å²	98.5	73%	0.727	62%	0.616	S	S	*	*			trans	-72.6	84.7	170	50.4	0	0	0	0	110.2	G9 T13	G9-S11 PolarHBondContact O-N 2.6Å; S11-T13 PolarHBondContact O-N 3.27Å
12	I	65.4	Low	59.6	Low	96 Å²	96	87.5 Å²	87.5	49%	0.492	56%	0.563	S	S	.	*			trans	-63.5	94.8	-179.2	-63.1	167.1	0	0	0	109.9	M10 I18 L1056	M10-I12 VanDerWaalsContact C-N 3.31Å; M10-I12 HydrophobicContact CB-CG1 4.48Å; M10-I12 PolarHBondContact O-N 2.78Å; I12-I18 HydrophobicContact CD1-CD1 3.85Å; I12-I18 HydrophobicContact CG1-CD1 4.2Å; I12-I18 HydrophobicContact CG2-CD1 3.92Å; I12-I18 HydrophobicContact CG2-CG1 4.3Å; I12-L1056 HydrophobicContact CG2-CD1 3.33Å
13	T	67.3	Low	62.1	Low	94 Å²	94	85.7 Å²	85.7	58%	0.577	54%	0.537	S	S	*	.			trans	-76.9	149.8	177.6	53.1	0	0	0	0	111.7	S11 G15 G16	S11-T13 PolarHBondContact O-N 3.27Å; T13-G15 PolarHBondContact O-N 2.92Å; T13-G16 WeakPolarHBondContact O-CA 2.92Å; T13-G16 PolarHBondContact O-N 3.3Å
14	K	68.5	Low	64.8	Low	168 Å²	168	84.6 Å²	84.6	73%	0.73	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	116.5	-178.7	-179.5	178.3	-177.5	173.5	0	110.9	G16	K14-G16 VanDerWaalsContact C-N 3.31Å
15	G	71.1	Confident	67.2	Low	49 Å²	49	82.5 Å²	82.5	51%	0.505	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	-6.6	-169.5	0	0	0	0	0	113.5	T13 L1056	T13-G15 PolarHBondContact O-N 2.92Å; G15-L1056 WeakPolarHBondContact CA-O 3.34Å; G15-L1056 PolarHBondContact N-O 3.45Å
16	G	73.6	Confident	69.5	Low	21 Å²	21	80.6 Å²	80.6	22%	0.216	49%	0.486	C	S	.	.			trans	-62.7	158.5	164.6	0	0	0	0	0	111.4	T13 K14 L1056	T13-G16 WeakPolarHBondContact O-CA 2.92Å; T13-G16 PolarHBondContact O-N 3.3Å; K14-G16 VanDerWaalsContact C-N 3.31Å; G16-L1056 PolarHBondContact O-N 2.98Å
17	S	80.1	Confident	71.8	Confident	54 Å²	54	78.8 Å²	78.8	38%	0.378	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.6	179.4	62.7	0	0	0	0	111.7	K1053 I1054	S17-K1053 WeakPolarHBondContact OG-CE 3.32Å; S17-I1054 CarbonylContact C-O 3.6Å; S17-I1054 VanDerWaalsContact CA-O 3.23Å; S17-I1054 WeakPolarHBondContact CA-O 3.01Å
18	I	85.2	Confident	73.8	Confident	30 Å²	30	77.1 Å²	77.1	15%	0.154	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	131.6	176.1	-55	176.2	0	0	0	108.9	I12 V20 L34 K1053 I1054 L1056	I12-I18 HydrophobicContact CD1-CD1 3.85Å; I12-I18 HydrophobicContact CG1-CD1 4.2Å; I12-I18 HydrophobicContact CG2-CD1 3.92Å; I12-I18 HydrophobicContact CG2-CG1 4.3Å; I18-V20 HydrophobicContact CG2-CG1 3.91Å; I18-L34 HydrophobicContact CG2-CD1 3.7Å; I18-L34 HydrophobicContact CG2-CD2 3.97Å; I18-L34 HydrophobicContact CG2-CG 4.41Å; I18-K1053 CarbonylContact O-C 3.59Å; I18-K1053 WeakPolarHBondContact O-CA 3.1Å; I18-I1054 PolarHBondContact N-O 2.96Å; I18-I1054 PolarHBondContact O-N 3.1Å; I18-L1056 HydrophobicContact CD1-CD1 4.18Å
19	L	85.2	Confident	76.1	Confident	86 Å²	86	71.4 Å²	71.4	45%	0.45	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	119.1	164.8	-93.5	68.3	0	0	0	109.2	L34 R1051 L1052	L19-L34 WeakPolarHBondContact O-CD1 3.32Å; L19-R1051 HydrophobicContact CD2-CB 4.2Å; L19-R1051 HydrophobicContact CD2-CG 4.36Å; L19-R1051 HydrophobicContact CG-CB 4.33Å; L19-L1052 WeakPolarHBondContact CA-O 3.37Å
20	V	90.4	Very high	78.3	Confident	10 Å²	10	69.5 Å²	69.5	6%	0.061	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	142.4	171.9	-57.2	0	0	0	0	110	I18 V32 L34 R1051 L1052 I1054	I18-V20 HydrophobicContact CG2-CG1 3.91Å; V20-V32 HydrophobicContact CB-CB 4.17Å; V20-V32 HydrophobicContact CG2-CB 3.69Å; V20-V32 HydrophobicContact CG2-CG1 3.75Å; V20-V32 HydrophobicContact CG2-CG2 4.38Å; V20-L34 HydrophobicContact CG1-CB 4.22Å; V20-R1051 CarbonylContact O-C 3.31Å; V20-R1051 VanDerWaalsContact O-CA 3.3Å; V20-R1051 WeakPolarHBondContact O-CA 3.43Å; V20-L1052 HydrophobicContact CG2-CB 3.86Å; V20-L1052 PolarHBondContact N-O 2.98Å; V20-L1052 PolarHBondContact O-N 3.23Å; V20-I1054 HydrophobicContact CB-CD1 4.43Å; V20-I1054 HydrophobicContact CG1-CD1 3.79Å; V20-I1054 HydrophobicContact CG1-CG1 4.41Å; V20-I1054 HydrophobicContact CG2-CD1 3.74Å; V20-I1054 HydrophobicContact CG2-CG1 3.98Å
21	K	90.2	Very high	79.9	Confident	89 Å²	89	65.2 Å²	65.2	39%	0.387	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	130.8	170.6	173.2	161.1	-179.9	161.4	0	108.9	K33 N1049	K21-K33 PolarHBondContact N-O 2.85Å; K21-K33 PolarHBondContact O-N 2.76Å; K21-N1049 PolarHBondContact NZ-OD1 2.73Å
22	V	90	Very high	81.6	Confident	18 Å²	18	60.7 Å²	60.7	11%	0.109	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	133	167.4	-177.7	0	0	0	0	109	D24 L25 I30 S31 V1050 L1052	V22-D24 WeakPolarHBondContact CG1-O 3.01Å; V22-L25 HydrophobicContact CG1-CD1 3.93Å; V22-L25 HydrophobicContact CG1-CG 3.86Å; V22-I30 HydrophobicContact CG1-CG2 4.18Å; V22-I30 HydrophobicContact CG2-CG2 4.38Å; V22-S31 WeakPolarHBondContact CA-O 3.27Å; V22-V1050 HydrophobicContact CB-CB 4.19Å; V22-V1050 HydrophobicContact CB-CG1 4.47Å; V22-V1050 HydrophobicContact CG2-CB 3.94Å; V22-V1050 HydrophobicContact CG2-CG1 3.71Å; V22-V1050 PolarHBondContact N-O 3.09Å; V22-L1052 HydrophobicContact CG2-CD1 3.6Å; V22-L1052 HydrophobicContact CG2-CG 3.68Å
23	E	88.7	Confident	82.9	Confident	65 Å²	65	58 Å²	58	30%	0.304	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-30.9	169.6	-78.3	-168.2	144.1	0	0	112.4	S31 K33 R42	E23-S31 PolarHBondContact N-O 2.93Å; E23-K33 HydrophobicContact CG-CB 3.77Å; E23-K33 HydrophobicContact CG-CD 4.19Å; E23-K33 VanDerWaalsContact OE1-CD 3.24Å; E23-K33 WeakPolarHBondContact OE1-CD 3.3Å; E23-K33 VanDerWaalsContact OE1-CE 3.24Å; E23-K33 WeakPolarHBondContact OE1-CE 3.09Å; E23-K33 IonicContact OE1-NZ 3.27Å; E23-K33 PolarHBondContact OE1-NZ 2.65Å; E23-R42 IonicContact OE1-CZ 3.95Å; E23-R42 IonicContact OE1-NE 2.69Å; E23-R42 IonicContact OE1-NH1 3.4Å; E23-R42 PolarHBondContact OE1-NH1 3.19Å; E23-R42 VanDerWaalsContact OE1-NH1 3.09Å; E23-R42 IonicContact OE1-NH2 2.67Å; E23-R42 VanDerWaalsContact OE2-CD 3.27Å; E23-R42 WeakPolarHBondContact OE2-CD 3.07Å; E23-R42 IonicContact OE2-CZ 3.54Å; E23-R42 IonicContact OE2-NE 3.98Å; E23-R42 IonicContact OE2-NH1 3.38Å; E23-R42 PolarHBondContact OE2-NH1 3.21Å
24	D	84.9	Confident	84	Confident	89 Å²	89	54.6 Å²	54.6	48%	0.476	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	151.9	-179.9	-160.4	-3.3	0	0	0	110.8	V22 S31	V22-D24 WeakPolarHBondContact CG1-O 3.01Å; D24-S31 PolarHBondContact N-O 3.02Å; D24-S31 PolarHBondContact O-N 2.72Å
25	L	83.3	Confident	85	Confident	71 Å²	71	51.4 Å²	51.4	37%	0.372	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	105.2	-177.1	-102.9	164	0	0	0	110	V22 I30 L1043	V22-L25 HydrophobicContact CG1-CD1 3.93Å; V22-L25 HydrophobicContact CG1-CG 3.86Å; L25-I30 HydrophobicContact CD2-CB 4.33Å; L25-I30 HydrophobicContact CD2-CD1 4.24Å; L25-I30 HydrophobicContact CD2-CG1 3.85Å; L25-I30 HydrophobicContact CD2-CG2 3.94Å; L25-I30 HydrophobicContact CG-CG2 4.17Å; L25-L1043 HydrophobicContact CD1-CB 4.13Å; L25-L1043 HydrophobicContact CD1-CD1 4.02Å
26	T	78.1	Confident	85.7	Confident	65 Å²	65	51.3 Å²	51.3	40%	0.399	29%	0.291	S	S	.	.			trans	-106.1	157.2	164.9	70	0	0	0	0	108.8	E28 L29	T26-E28 PolarHBondContact O-N 3Å; T26-L29 PolarHBondContact N-O 2.85Å; T26-L29 PolarHBondContact O-N 3.04Å; T26-L29 WeakPolarHBondContact OG1-CA 3.27Å; T26-L29 WeakPolarHBondContact OG1-CB 3.44Å; T26-L29 PolarHBondContact OG1-N 3.11Å; T26-L29 PolarHBondContact OG1-O 2.69Å
27	G	78.3	Confident	86.3	Confident	62 Å²	62	53.4 Å²	53.4	64%	0.639	31%	0.313	S	S	*	.	S	Bend	trans	-66.3	9.8	-177.6	0	0	0	0	0	116.7
28	E	79.4	Confident	86.7	Confident	67 Å²	67	59 Å²	59	31%	0.313	34%	0.338	S	S	.	.	S	Bend	trans	-141.2	-28.7	-179.6	-79	-175.4	-168.7	0	0	112	T26 Q47 K52 F53	T26-E28 PolarHBondContact O-N 3Å; E28-Q47 PolarHBondContact O-N 3.24Å; E28-K52 WeakPolarHBondContact OE1-CD 3.29Å; E28-F53 HydrophobicContact CB-CE1 4.47Å; E28-F53 HydrophobicContact CB-CE2 4.32Å; E28-F53 HydrophobicContact CB-CZ 3.64Å; E28-F53 HydrophobicContact CG-CE2 4.08Å; E28-F53 HydrophobicContact CG-CZ 3.8Å
29	L	83.7	Confident	86.8	Confident	77 Å²	77	64 Å²	64	40%	0.403	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	128.9	-178.1	-56.1	164.3	0	0	0	111.9	T26 I44 L46	T26-L29 PolarHBondContact N-O 2.85Å; T26-L29 PolarHBondContact O-N 3.04Å; T26-L29 WeakPolarHBondContact OG1-CA 3.27Å; T26-L29 WeakPolarHBondContact OG1-CB 3.44Å; T26-L29 PolarHBondContact OG1-N 3.11Å; T26-L29 PolarHBondContact OG1-O 2.69Å; L29-I44 HydrophobicContact CB-CG2 3.84Å; L29-I44 HydrophobicContact CD2-CG2 3.83Å; L29-I44 HydrophobicContact CG-CG2 4.37Å; L29-L46 HydrophobicContact CD2-CD2 3.45Å; L29-L46 VanDerWaalsContact CD2-CD2 3.45Å; L29-L46 HydrophobicContact CD2-CG 4.03Å
30	I	87.7	Confident	87	Confident	27 Å²	27	64.5 Å²	64.5	14%	0.138	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	112.7	174.7	-44	-178.7	0	0	0	109	V22 L25 V32 I44 L45 L1052	V22-I30 HydrophobicContact CG1-CG2 4.18Å; V22-I30 HydrophobicContact CG2-CG2 4.38Å; L25-I30 HydrophobicContact CD2-CB 4.33Å; L25-I30 HydrophobicContact CD2-CD1 4.24Å; L25-I30 HydrophobicContact CD2-CG1 3.85Å; L25-I30 HydrophobicContact CD2-CG2 3.94Å; L25-I30 HydrophobicContact CG-CG2 4.17Å; I30-V32 HydrophobicContact CG2-CG1 4Å; I30-I44 CarbonylContact O-C 3.48Å; I30-I44 WeakPolarHBondContact O-CA 3.27Å; I30-L45 HydrophobicContact CB-CB 4.26Å; I30-L45 PolarHBondContact N-O 2.99Å; I30-L45 PolarHBondContact O-N 3.39Å; I30-L1052 HydrophobicContact CD1-CD1 4.46Å; I30-L1052 HydrophobicContact CG2-CD1 3.8Å
31	S	89.9	Confident	87	Confident	28 Å²	28	69.1 Å²	69.1	20%	0.196	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	127.1	174.2	-171.9	0	0	0	0	110.1	V22 E23 D24	V22-S31 WeakPolarHBondContact CA-O 3.27Å; E23-S31 PolarHBondContact N-O 2.93Å; D24-S31 PolarHBondContact N-O 3.02Å; D24-S31 PolarHBondContact O-N 2.72Å
32	V	92.6	Very high	87.1	Confident	9 Å²	9	73 Å²	73	6%	0.055	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	143.3	-174.3	-65.3	0	0	0	0	112.7	V20 I30 R42 G43 L45 L1052	V20-V32 HydrophobicContact CB-CB 4.17Å; V20-V32 HydrophobicContact CG2-CB 3.69Å; V20-V32 HydrophobicContact CG2-CG1 3.75Å; V20-V32 HydrophobicContact CG2-CG2 4.38Å; I30-V32 HydrophobicContact CG2-CG1 4Å; V32-R42 CarbonylContact O-C 3.39Å; V32-R42 WeakPolarHBondContact O-CA 3.44Å; V32-G43 WeakPolarHBondContact CG2-O 3.38Å; V32-G43 PolarHBondContact N-O 3.03Å; V32-G43 PolarHBondContact O-N 3.06Å; V32-L45 HydrophobicContact CG1-CD1 3.96Å; V32-L45 HydrophobicContact CG1-CG 4.22Å; V32-L45 HydrophobicContact CG2-CD1 4.36Å; V32-L45 HydrophobicContact CG2-CD2 4.36Å; V32-L45 HydrophobicContact CG2-CG 3.98Å; V32-L1052 HydrophobicContact CG1-CD1 4.14Å
33	K	92.5	Very high	87	Confident	38 Å²	38	73.8 Å²	73.8	17%	0.165	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126.2	-178.7	-174.7	-165.8	-144.2	145.7	0	111	K21 E23 I35 I40 F41 R42	K21-K33 PolarHBondContact N-O 2.85Å; K21-K33 PolarHBondContact O-N 2.76Å; E23-K33 HydrophobicContact CG-CB 3.77Å; E23-K33 HydrophobicContact CG-CD 4.19Å; E23-K33 VanDerWaalsContact OE1-CD 3.24Å; E23-K33 WeakPolarHBondContact OE1-CD 3.3Å; E23-K33 VanDerWaalsContact OE1-CE 3.24Å; E23-K33 WeakPolarHBondContact OE1-CE 3.09Å; E23-K33 IonicContact OE1-NZ 3.27Å; E23-K33 PolarHBondContact OE1-NZ 2.65Å; K33-I35 HydrophobicContact CD-CD1 4.11Å; K33-I35 HydrophobicContact CD-CG1 4.07Å; K33-I35 HydrophobicContact CG-CG1 4.2Å; K33-I40 HydrophobicContact CD-CG2 4.27Å; K33-I40 VanDerWaalsContact CE-CG2 3.47Å; K33-I40 HydrophobicContact CG-CG2 3.87Å; K33-F41 CarbonylContact C-O 3.17Å; K33-F41 WeakPolarHBondContact CA-O 3.19Å; K33-R42 HydrophobicContact CG-CG 4.43Å
34	L	91.2	Very high	87	Confident	24 Å²	24	76.1 Å²	76.1	13%	0.126	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	137	163.8	179.2	64.5	0	0	0	108.5	I18 L19 V20 F41	I18-L34 HydrophobicContact CG2-CD1 3.7Å; I18-L34 HydrophobicContact CG2-CD2 3.97Å; I18-L34 HydrophobicContact CG2-CG 4.41Å; L19-L34 WeakPolarHBondContact O-CD1 3.32Å; V20-L34 HydrophobicContact CG1-CB 4.22Å; L34-F41 HydrophobicContact CB-CB 4.24Å; L34-F41 HydrophobicContact CB-CD2 4.33Å; L34-F41 HydrophobicContact CD2-CD2 4.04Å; L34-F41 HydrophobicContact CG-CD2 4.25Å; L34-F41 PolarHBondContact N-O 3.24Å; L34-F41 PolarHBondContact O-N 3.34Å
35	I	89.2	Confident	87.1	Confident	101 Å²	101	74.8 Å²	74.8	52%	0.518	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123.3	170.5	-54.9	178.5	0	0	0	106.3	K33 K39	K33-I35 HydrophobicContact CD-CD1 4.11Å; K33-I35 HydrophobicContact CD-CG1 4.07Å; K33-I35 HydrophobicContact CG-CG1 4.2Å; I35-K39 WeakPolarHBondContact CA-O 3.15Å
36	D	86	Confident	87	Confident	47 Å²	47	77 Å²	77	25%	0.251	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	93.4	-176.1	174.6	43	0	0	0	107.8	D38 K39 F41	D36-D38 PolarHBondContact O-N 3.5Å; D36-K39 PolarHBondContact N-O 3.4Å; D36-K39 WeakPolarHBondContact O-CB 3.37Å; D36-K39 PolarHBondContact O-N 3.26Å; D36-F41 HydrophobicContact CB-CE2 4.07Å
37	G	86.8	Confident	86.5	Confident	65 Å²	65	77.8 Å²	77.8	67%	0.67	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	-134.1	-161.8	0	0	0	0	0	111.4	K39	G37-K39 PolarHBondContact O-N 2.85Å; G37-K39 VanDerWaalsContact O-N 3.17Å
38	D	88.1	Confident	85.9	Confident	172 Å²	172	83.9 Å²	83.9	92%	0.92	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-5.4	177.8	-49.7	-52.5	0	0	0	114	D36	D36-D38 PolarHBondContact O-N 3.5Å
39	K	86.9	Confident	84.7	Confident	135 Å²	135	83.4 Å²	83.4	59%	0.587	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	117	-174.7	-62.2	169.8	-172	160.3	0	110.7	I35 D36 G37 F41	I35-K39 WeakPolarHBondContact CA-O 3.15Å; D36-K39 PolarHBondContact N-O 3.4Å; D36-K39 WeakPolarHBondContact O-CB 3.37Å; D36-K39 PolarHBondContact O-N 3.26Å; G37-K39 PolarHBondContact O-N 2.85Å; G37-K39 VanDerWaalsContact O-N 3.17Å; K39-F41 HydrophobicContact CB-CD2 4.47Å; K39-F41 HydrophobicContact CB-CE2 3.82Å; K39-F41 HydrophobicContact CB-CZ 4.16Å; K39-F41 HydrophobicContact CD-CZ 4.33Å
40	I	89.2	Confident	83	Confident	96 Å²	96	88.3 Å²	88.3	49%	0.492	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	110	170.6	-56.6	177.7	0	0	0	108.8	K33 R42	K33-I40 HydrophobicContact CD-CG2 4.27Å; K33-I40 VanDerWaalsContact CE-CG2 3.47Å; K33-I40 HydrophobicContact CG-CG2 3.87Å; I40-R42 HydrophobicContact CG2-CG 4.16Å
41	F	91	Very high	81.3	Confident	107 Å²	107	90.4 Å²	90.4	47%	0.469	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	129.2	167.3	-52.4	-93.6	0	0	0	108.4	K33 L34 D36 K39	K33-F41 CarbonylContact C-O 3.17Å; K33-F41 WeakPolarHBondContact CA-O 3.19Å; L34-F41 HydrophobicContact CB-CB 4.24Å; L34-F41 HydrophobicContact CB-CD2 4.33Å; L34-F41 HydrophobicContact CD2-CD2 4.04Å; L34-F41 HydrophobicContact CG-CD2 4.25Å; L34-F41 PolarHBondContact N-O 3.24Å; L34-F41 PolarHBondContact O-N 3.34Å; D36-F41 HydrophobicContact CB-CE2 4.07Å; K39-F41 HydrophobicContact CB-CD2 4.47Å; K39-F41 HydrophobicContact CB-CE2 3.82Å; K39-F41 HydrophobicContact CB-CZ 4.16Å; K39-F41 HydrophobicContact CD-CZ 4.33Å
42	R	90.8	Very high	79.4	Confident	171 Å²	171	96.1 Å²	96.1	65%	0.645	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.4	144.5	168.3	-60.3	-172.3	-166.1	-147.3	15.5	109.3	E23 V32 K33 I40	E23-R42 IonicContact OE1-CZ 3.95Å; E23-R42 IonicContact OE1-NE 2.69Å; E23-R42 IonicContact OE1-NH1 3.4Å; E23-R42 PolarHBondContact OE1-NH1 3.19Å; E23-R42 VanDerWaalsContact OE1-NH1 3.09Å; E23-R42 IonicContact OE1-NH2 2.67Å; E23-R42 VanDerWaalsContact OE2-CD 3.27Å; E23-R42 WeakPolarHBondContact OE2-CD 3.07Å; E23-R42 IonicContact OE2-CZ 3.54Å; E23-R42 IonicContact OE2-NE 3.98Å; E23-R42 IonicContact OE2-NH1 3.38Å; E23-R42 PolarHBondContact OE2-NH1 3.21Å; V32-R42 CarbonylContact O-C 3.39Å; V32-R42 WeakPolarHBondContact O-CA 3.44Å; K33-R42 HydrophobicContact CG-CG 4.43Å; I40-R42 HydrophobicContact CG2-CG 4.16Å
43	G	88.4	Confident	77.2	Confident	34 Å²	34	98.3 Å²	98.3	35%	0.351	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	169.9	176.2	0	0	0	0	0	110.8	V32	V32-G43 WeakPolarHBondContact CG2-O 3.38Å; V32-G43 PolarHBondContact N-O 3.03Å; V32-G43 PolarHBondContact O-N 3.06Å
44	I	88.5	Confident	75	Confident	113 Å²	113	102.8 Å²	102.8	58%	0.579	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.4	126.4	175.9	-55.8	175.7	0	0	0	107.4	L29 I30	L29-I44 HydrophobicContact CB-CG2 3.84Å; L29-I44 HydrophobicContact CD2-CG2 3.83Å; L29-I44 HydrophobicContact CG-CG2 4.37Å; I30-I44 CarbonylContact O-C 3.48Å; I30-I44 WeakPolarHBondContact O-CA 3.27Å
45	L	86.5	Confident	73.1	Confident	62 Å²	62	108.9 Å²	108.9	33%	0.325	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.6	131.1	170.3	-49.6	177.1	0	0	0	107.9	I30 V32 I1054	I30-L45 HydrophobicContact CB-CB 4.26Å; I30-L45 PolarHBondContact N-O 2.99Å; I30-L45 PolarHBondContact O-N 3.39Å; V32-L45 HydrophobicContact CG1-CD1 3.96Å; V32-L45 HydrophobicContact CG1-CG 4.22Å; V32-L45 HydrophobicContact CG2-CD1 4.36Å; V32-L45 HydrophobicContact CG2-CD2 4.36Å; V32-L45 HydrophobicContact CG2-CG 3.98Å; L45-I1054 HydrophobicContact CD1-CD1 3.98Å; L45-I1054 HydrophobicContact CD1-CG1 4.24Å; L45-I1054 HydrophobicContact CD2-CD1 4.2Å
46	L	81.9	Confident	70.8	Confident	118 Å²	118	112.9 Å²	112.9	62%	0.618	58%	0.581	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-79.4	132.8	167.7	-75.2	147.3	0	0	0	108.4	L29 F53	L29-L46 HydrophobicContact CD2-CD2 3.45Å; L29-L46 VanDerWaalsContact CD2-CD2 3.45Å; L29-L46 HydrophobicContact CD2-CG 4.03Å; L46-F53 HydrophobicContact CD2-CD1 4.2Å; L46-F53 HydrophobicContact CD2-CE1 3.4Å; L46-F53 VanDerWaalsContact CD2-CE1 3.4Å; L46-F53 HydrophobicContact CD2-CZ 3.81Å
47	Q	67	Low	68.6	Low	80 Å²	80	113 Å²	113	37%	0.374	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-73.1	129.6	169.9	-171.6	171	-3.5	0	0	108.6	E28 T49 F53	E28-Q47 PolarHBondContact O-N 3.24Å; Q47-T49 HydrophobicContact CG-CG2 4.08Å; Q47-T49 PolarHBondContact O-N 3.06Å; Q47-T49 PolarHBondContact O-OG1 3.4Å; Q47-F53 WeakPolarHBondContact O-CE2 3.39Å
48	E	65.8	Low	66.3	Low	191 Å²	191	115 Å²	115	89%	0.893	59%	0.593	S	S	*	*			trans	-79.3	51.6	177.9	-161.2	169.7	-177.5	0	0	110.8	I50	E48-I50 PolarHBondContact O-N 3.25Å; E48-I50 VanDerWaalsContact O-N 3.09Å
49	T	55.9	Low	64	Low	56 Å²	56	109.1 Å²	109.1	34%	0.344	56%	0.561	S	S	.	*			trans	-71.4	103.3	179.9	10.2	0	0	0	0	110.1	Q47 G51	Q47-T49 HydrophobicContact CG-CG2 4.08Å; Q47-T49 PolarHBondContact O-N 3.06Å; Q47-T49 PolarHBondContact O-OG1 3.4Å; T49-G51 PolarHBondContact O-N 3.33Å
50	I	46.9	Very low	62.1	Low	181 Å²	181	107.2 Å²	107.2	93%	0.928	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	99.2	-175.6	-56.4	166.9	0	0	0	110.3	E48	E48-I50 PolarHBondContact O-N 3.25Å; E48-I50 VanDerWaalsContact O-N 3.09Å
51	G	51.8	Low	59.9	Low	70 Å²	70	107 Å²	107	72%	0.722	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	152.3	-39.5	169.2	0	0	0	0	0	116.7	T49	T49-G51 PolarHBondContact O-N 3.33Å
52	K	49.7	Very low	57.6	Low	149 Å²	149	108.3 Å²	108.3	65%	0.648	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	-25.9	-166.4	-67.7	-177.9	178.7	176.9	0	116.2	E28 N54	E28-K52 WeakPolarHBondContact OE1-CD 3.29Å; K52-N54 PolarHBondContact O-N 2.71Å
53	F	47.5	Very low	55.5	Low	54 Å²	54	105.3 Å²	105.3	24%	0.237	55%	0.551	C	S	.	*	T	Hydrogen-bonded Turn	trans	-72.9	0.7	-166.5	-83.9	-73.6	0	0	0	117.6	E28 L46 Q47 E55	E28-F53 HydrophobicContact CB-CE1 4.47Å; E28-F53 HydrophobicContact CB-CE2 4.32Å; E28-F53 HydrophobicContact CB-CZ 3.64Å; E28-F53 HydrophobicContact CG-CE2 4.08Å; E28-F53 HydrophobicContact CG-CZ 3.8Å; L46-F53 HydrophobicContact CD2-CD1 4.2Å; L46-F53 HydrophobicContact CD2-CE1 3.4Å; L46-F53 VanDerWaalsContact CD2-CE1 3.4Å; L46-F53 HydrophobicContact CD2-CZ 3.81Å; Q47-F53 WeakPolarHBondContact O-CE2 3.39Å; F53-E55 PolarHBondContact O-N 2.68Å
54	N	44.9	Very low	53.5	Low	132 Å²	132	105 Å²	105	71%	0.706	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-14.6	176.8	-77	-25.3	0	0	0	114	K52	K52-N54 PolarHBondContact O-N 2.71Å
55	E	52.4	Low	51.2	Low	152 Å²	152	101.7 Å²	101.7	71%	0.71	53%	0.53	S	S	*	.	S	Bend	trans	-97.9	-17.9	-176.4	-59.5	-172	154.2	0	0	113.5	F53	F53-E55 PolarHBondContact O-N 2.68Å
56	Y	41.1	Very low	49.1	Very low	185 Å²	185	101.8 Å²	101.8	73%	0.725	54%	0.539	S	S	*	.	S	Bend	trans	-121.6	40.4	-172.5	-64.9	-79.9	0	0	0	113.8
57	G	39	Very low	47.1	Very low	50 Å²	50	100.3 Å²	100.3	52%	0.515	54%	0.537	S	S	.	.	S	Bend	trans	-158.3	69.5	-174.5	0	0	0	0	0	115.2
58	T	39.7	Very low	45.6	Very low	108 Å²	108	103.9 Å²	103.9	66%	0.663	55%	0.551	S	S	*	*	S	Bend	trans	61	136.6	-156.7	72	0	0	0	0	111.5	L60	T58-L60 PolarHBondContact O-N 3.31Å; T58-L60 VanDerWaalsContact O-N 3.09Å
59	N	38.5	Very low	44.3	Very low	47 Å²	47	103.8 Å²	103.8	25%	0.251	54%	0.543	S	S	.	.			trans	-68	118.8	175.9	-158.2	3.4	0	0	0	107.5	E61 R62 I63 E1352	N59-E61 WeakPolarHBondContact CB-O 3.21Å; N59-E61 VanDerWaalsContact CG-C 3.43Å; N59-E61 VanDerWaalsContact CG-CB 3.45Å; N59-E61 WeakPolarHBondContact ND2-CB 3.11Å; N59-E61 PolarHBondContact ND2-O 2.94Å; N59-E61 CarbonylContact O-C 3.14Å; N59-E61 PolarHBondContact O-N 3.21Å; N59-E61 WeakPolarHBondContact OD1-CB 2.98Å; N59-E61 PolarHBondContact OD1-N 3.23Å; N59-R62 HydrophobicContact CB-CB 4.12Å; N59-R62 WeakPolarHBondContact O-CA 3.25Å; N59-R62 VanDerWaalsContact O-CB 3.31Å; N59-R62 WeakPolarHBondContact O-CB 3.28Å; N59-R62 PolarHBondContact O-N 2.74Å; N59-I63 PolarHBondContact O-N 2.67Å; N59-E1352 PolarHBondContact ND2-OE1 3.08Å
60	L	46.5	Very low	43.6	Very low	96 Å²	96	104.6 Å²	104.6	50%	0.503	55%	0.549	S	S	.	.	H	α-helix	trans	-63.3	-36.6	171.6	177.2	60.5	0	0	0	109	T58 R62 I63 T64	T58-L60 PolarHBondContact O-N 3.31Å; T58-L60 VanDerWaalsContact O-N 3.09Å; L60-R62 PolarHBondContact O-N 3.08Å; L60-I63 HydrophobicContact CD1-CD1 4.23Å; L60-I63 PolarHBondContact O-N 2.64Å; L60-T64 HydrophobicContact CD1-CG2 4.32Å; L60-T64 PolarHBondContact O-N 2.73Å; L60-T64 PolarHBondContact O-OG1 2.7Å
61	E	43.8	Very low	43.2	Very low	90 Å²	90	101.2 Å²	101.2	42%	0.421	54%	0.539	S	S	.	.	H	α-helix	trans	-61.4	50.5	147.5	-96.6	-158.4	-167.1	0	0	112.6	N59 T1350	N59-E61 WeakPolarHBondContact CB-O 3.21Å; N59-E61 VanDerWaalsContact CG-C 3.43Å; N59-E61 VanDerWaalsContact CG-CB 3.45Å; N59-E61 WeakPolarHBondContact ND2-CB 3.11Å; N59-E61 PolarHBondContact ND2-O 2.94Å; N59-E61 CarbonylContact O-C 3.14Å; N59-E61 PolarHBondContact O-N 3.21Å; N59-E61 WeakPolarHBondContact OD1-CB 2.98Å; N59-E61 PolarHBondContact OD1-N 3.23Å; E61-T1350 HydrophobicContact CB-CG2 3.46Å; E61-T1350 VanDerWaalsContact CB-CG2 3.46Å; E61-T1350 HydrophobicContact CG-CG2 3.7Å; E61-T1350 WeakPolarHBondContact O-CG2 3.43Å; E61-T1350 WeakPolarHBondContact OE2-CA 3.44Å; E61-T1350 VanDerWaalsContact OE2-CG2 3.28Å; E61-T1350 WeakPolarHBondContact OE2-CG2 3.34Å
62	R	43.3	Very low	42.6	Very low	136 Å²	136	104.5 Å²	104.5	51%	0.513	54%	0.539	S	S	.	.	H	α-helix	trans	-156.3	-38.8	154.3	-129.9	173.1	-77.4	156.2	-3.8	112.1	N59 L60 T64 A66 E1352	N59-R62 HydrophobicContact CB-CB 4.12Å; N59-R62 WeakPolarHBondContact O-CA 3.25Å; N59-R62 VanDerWaalsContact O-CB 3.31Å; N59-R62 WeakPolarHBondContact O-CB 3.28Å; N59-R62 PolarHBondContact O-N 2.74Å; L60-R62 PolarHBondContact O-N 3.08Å; R62-T64 PolarHBondContact O-N 3.19Å; R62-T64 VanDerWaalsContact O-N 3.15Å; R62-A66 PolarHBondContact O-N 2.91Å; R62-E1352 IonicContact NE-OE1 2.63Å; R62-E1352 IonicContact NH2-OE1 2.92Å; R62-E1352 PolarHBondContact NH2-OE1 2.64Å
63	I	46.7	Very low	42.1	Very low	108 Å²	108	101.3 Å²	101.3	55%	0.554	54%	0.535	S	S	*	.	H	α-helix	trans	-49.6	-37	168.7	-64.7	172.9	0	0	0	110.5	N59 L60	N59-I63 PolarHBondContact O-N 2.67Å; L60-I63 HydrophobicContact CD1-CD1 4.23Å; L60-I63 PolarHBondContact O-N 2.64Å
64	T	46.5	Very low	41.5	Very low	28 Å²	28	102.8 Å²	102.8	17%	0.172	56%	0.558	C	S	.	*	T	Hydrogen-bonded Turn	trans	-103.3	36.6	-167.9	61.5	0	0	0	0	113.9	L60 R62 Y1348 V1349	L60-T64 HydrophobicContact CD1-CG2 4.32Å; L60-T64 PolarHBondContact O-N 2.73Å; L60-T64 PolarHBondContact O-OG1 2.7Å; R62-T64 PolarHBondContact O-N 3.19Å; R62-T64 VanDerWaalsContact O-N 3.15Å; T64-Y1348 VanDerWaalsContact C-CZ 3.44Å; T64-Y1348 HydrophobicContact CG2-CE2 4.44Å; T64-Y1348 CarbonylContact O-C 2.81Å; T64-Y1348 WeakPolarHBondContact O-CA 3.35Å; T64-Y1348 WeakPolarHBondContact O-CB 3.5Å; T64-Y1348 VanDerWaalsContact O-CD1 3.26Å; T64-Y1348 WeakPolarHBondContact O-CD1 3.25Å; T64-Y1348 WeakPolarHBondContact O-CD2 3.31Å; T64-Y1348 WeakPolarHBondContact O-CE2 3.19Å; T64-V1349 WeakPolarHBondContact O-CB 3.37Å; T64-V1349 WeakPolarHBondContact O-CG2 3.21Å; T64-V1349 PolarHBondContact O-N 3.36Å; T64-V1349 PolarHBondContact OG1-N 3.36Å
65	S	40	Very low	41.1	Very low	43 Å²	43	102.7 Å²	102.7	30%	0.301	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	165.9	23	158.7	107	0	0	0	0	115.5	P67 Y1348 V1349	S65-P67 WeakPolarHBondContact O-CD 3.33Å; S65-Y1348 VanDerWaalsContact CA-CE1 3.43Å; S65-V1349 VanDerWaalsContact CB-CB 3.5Å; S65-V1349 VanDerWaalsContact OG-CB 3.25Å; S65-V1349 WeakPolarHBondContact OG-CB 3.45Å; S65-V1349 WeakPolarHBondContact OG-CG1 2.88Å
66	A	42.9	Very low	40.7	Very low	63 Å²	63	101.5 Å²	101.5	52%	0.521	57%	0.565	S	S	.	*	S	Bend		-43	116.1	122.6	0	0	0	0	0	107.1	R62 F68	R62-A66 PolarHBondContact O-N 2.91Å; A66-F68 PolarHBondContact O-N 3.47Å
67	P	38.2	Very low	40.7	Very low	88 Å²	88	98 Å²	98	57%	0.571	57%	0.568	S	S	*	*			trans	-57.5	131.1	-165.8	19.9	-32.6	0	0	0	109.4	S65 W69	S65-P67 WeakPolarHBondContact O-CD 3.33Å; P67-W69 PolarHBondContact O-N 2.95Å
68	F	36.1	Very low	40.6	Very low	154 Å²	154	99.4 Å²	99.4	68%	0.675	58%	0.583	S	S	*	*			trans	-60.2	98	-177.6	-179.8	-96.1	0	0	0	109.8	A66 P70	A66-F68 PolarHBondContact O-N 3.47Å; F68-P70 HydrophobicContact CE1-CB 4.5Å; F68-P70 WeakPolarHBondContact O-CD 3.39Å
69	W	39.3	Very low	40.7	Very low	190 Å²	190	102.4 Å²	102.4	72%	0.72	59%	0.593	S	S	*	*			trans	-72.6	110.5	173.8	-69.2	95.8	0	0	0	107.6	P67	P67-W69 PolarHBondContact O-N 2.95Å
70	P	41.2	Very low	40.9	Very low	73 Å²	73	106 Å²	106	47%	0.474	61%	0.612	S	S	.	*			trans	-61.9	136.9	175.4	27.5	-34	0	0	0	108.5	F68 L72	F68-P70 HydrophobicContact CE1-CB 4.5Å; F68-P70 WeakPolarHBondContact O-CD 3.39Å; P70-L72 HydrophobicContact CG-CD2 4.47Å; P70-L72 PolarHBondContact O-N 3.33Å
71	P	38.2	Very low	41	Very low	110 Å²	110	109.5 Å²	109.5	71%	0.714	63%	0.63	S	S	*	*			trans	-58	110.2	176.6	-24.4	34	0	0	0	109.9	S73	P71-S73 PolarHBondContact O-N 2.88Å
72	L	39.9	Very low	41.5	Very low	138 Å²	138	114.1 Å²	114.1	72%	0.723	65%	0.649	S	S	*	*			trans	-72.3	72.5	-172.3	-66.9	-179.7	0	0	0	112	P70 F105	P70-L72 HydrophobicContact CG-CD2 4.47Å; P70-L72 PolarHBondContact O-N 3.33Å; L72-F105 HydrophobicContact CD1-CE1 4.08Å
73	S	37.3	Very low	41.5	Very low	82 Å²	82	113.2 Å²	113.2	57%	0.573	66%	0.659	S	S	*	*			trans	-91.4	117.2	169.7	-59.5	0	0	0	0	109.2	P71	P71-S73 PolarHBondContact O-N 2.88Å
74	A	36.7	Very low	41.1	Very low	85 Å²	85	116.1 Å²	116.1	70%	0.702	67%	0.674	S	S	*	*	S	Bend	trans	71	101.7	173.6	0	0	0	0	0	118.3
75	T	36.7	Very low	40.7	Very low	130 Å²	130	119.8 Å²	119.8	80%	0.798	70%	0.698	S	S	*	*				67.2	122.8	128.1	59	0	0	0	0	122.2
76	T	42.6	Very low	40.3	Very low	128 Å²	128	124.3 Å²	124.3	79%	0.785	73%	0.728	S	S	*	*			trans	100.4	105.9	136.7	-56.7	0	0	0	0	120.3
77	S	42.5	Very low	40	Very low	110 Å²	110	125.6 Å²	125.6	77%	0.769	73%	0.733	S	S	*	*			trans	80.9	84	144.6	-63.7	0	0	0	0	122.6
78	G	36.7	Very low	40.2	Very low	81 Å²	81	127.8 Å²	127.8	84%	0.835	75%	0.745	S	S	*	*				96.1	69.1	107.2	0	0	0	0	0	120.2
79	I	41.4	Very low	40.7	Very low	170 Å²	170	128 Å²	128	87%	0.872	75%	0.748	S	S	*	*			trans	-87.3	146.9	168	-59.9	176.7	0	0	0	111
80	N	43	Very low	40.7	Very low	123 Å²	123	130.2 Å²	130.2	66%	0.658	76%	0.757	S	S	*	*			trans	-86.5	114.8	-167.7	-155.4	-81.9	0	0	0	113.9	K82	N80-K82 PolarHBondContact O-N 2.91Å
81	L	48.3	Very low	40.6	Very low	169 Å²	169	135.6 Å²	135.6	89%	0.885	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	27.3	-174.2	-65.3	168.1	0	0	0	116.2
82	K	53.3	Low	41	Very low	188 Å²	188	135.7 Å²	135.7	82%	0.817	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	4.1	-176.5	-82.1	-175.1	172.3	-179.8	0	116	N80	N80-K82 PolarHBondContact O-N 2.91Å
83	T	44.1	Very low	40.9	Very low	117 Å²	117	139.1 Å²	139.1	72%	0.718	78%	0.777	S	S	*	*	S	Bend	trans	-115.6	113.9	168.6	46.8	0	0	0	0	109.1	P85	T83-P85 WeakPolarHBondContact O-CD 3.38Å
84	I	38.8	Very low	41.1	Very low	169 Å²	169	143 Å²	143	87%	0.867	78%	0.784	S	S	*	*			trans	-61.4	115.1	-174.2	-59.1	168.5	0	0	0	110.2
85	P	38	Very low	41.6	Very low	104 Å²	104	146.6 Å²	146.6	68%	0.675	79%	0.79	S	S	*	*			trans	-77.7	152.6	166	-5.4	25.3	0	0	0	109.6	T83 S87	T83-P85 WeakPolarHBondContact O-CD 3.38Å; P85-S87 PolarHBondContact O-N 3.44Å
86	C	31.9	Very low	42.2	Very low	138 Å²	138	143.6 Å²	143.6	93%	0.932	77%	0.767	S	S	*	*			trans	-79.3	111.4	175.6	-65.1	0	0	0	0	110.4
87	S	37	Very low	42.4	Very low	90 Å²	90	141 Å²	141	63%	0.629	77%	0.766	S	S	*	*			trans	-143.2	110.5	159	57.6	0	0	0	0	111.7	P85	P85-S87 PolarHBondContact O-N 3.44Å
88	T	41.6	Very low	42.2	Very low	135 Å²	135	142.9 Å²	142.9	83%	0.828	76%	0.762	S	S	*	*			trans	-143.4	62.1	154.3	-56.3	0	0	0	0	105.6	R90	T88-R90 PolarHBondContact O-N 3.45Å
89	E	46.7	Very low	42.5	Very low	158 Å²	158	143.6 Å²	143.6	74%	0.738	75%	0.753	S	S	*	*			trans	-59.8	109.2	172	-65.7	172.6	149.9	0	0	107.1	Y91	E89-Y91 PolarHBondContact O-N 2.8Å
90	R	39.7	Very low	42.6	Very low	237 Å²	237	140 Å²	140	89%	0.894	74%	0.742	S	S	*	*			trans	-76.9	103.6	168.2	-80.6	-177.7	163.9	-117.9	-3.9	106.4	T88 S92	T88-R90 PolarHBondContact O-N 3.45Å; R90-S92 PolarHBondContact O-N 2.73Å
91	Y	38.4	Very low	42.8	Very low	185 Å²	185	141.1 Å²	141.1	73%	0.725	75%	0.748	S	S	*	*			trans	-44.7	114	175.3	-62	-85.8	0	0	0	110.5	E89 Y93	E89-Y91 PolarHBondContact O-N 2.8Å; Y91-Y93 PolarHBondContact O-N 2.79Å; Y91-Y93 VanDerWaalsContact O-N 3.13Å
92	S	47.5	Very low	42.8	Very low	113 Å²	113	139.7 Å²	139.7	79%	0.79	74%	0.741	S	S	*	*			trans	-66.4	105.4	159.3	48.8	0	0	0	0	106.8	R90 K94	R90-S92 PolarHBondContact O-N 2.73Å; S92-K94 PolarHBondContact O-N 2.8Å
93	Y	36.4	Very low	42.3	Very low	209 Å²	209	137.7 Å²	137.7	82%	0.82	74%	0.739	S	S	*	*			trans	-55.3	131.4	173.7	-71.2	-96.1	0	0	0	108.9	Y91	Y91-Y93 PolarHBondContact O-N 2.79Å; Y91-Y93 VanDerWaalsContact O-N 3.13Å
94	K	41.9	Very low	42.6	Very low	165 Å²	165	136.5 Å²	136.5	72%	0.717	73%	0.732	S	S	*	*			trans	-68.8	164.7	161.8	-68.2	-173.5	174.7	-172.2	0	108.4	S92 E96	S92-K94 PolarHBondContact O-N 2.8Å; K94-E96 PolarHBondContact O-N 3.45Å
95	L	47	Very low	42.5	Very low	159 Å²	159	135.7 Å²	135.7	83%	0.832	72%	0.722	S	S	*	*	S	Bend	trans	-64.7	-7.9	-179	-146.6	70	0	0	0	113.5
96	E	50	Low	42.9	Very low	67 Å²	67	138.5 Å²	138.5	31%	0.313	73%	0.726	S	S	.	*	S	Bend	trans	-124.2	140.6	168.1	-64.5	144.4	104.6	0	0	109.5	K94 Q98 S741 A742	K94-E96 PolarHBondContact O-N 3.45Å; E96-Q98 PolarHBondContact O-N 3.26Å; E96-S741 WeakPolarHBondContact OE1-CA 3.44Å; E96-S741 WeakPolarHBondContact OE1-CB 3.4Å; E96-S741 PolarHBondContact OE1-N 2.78Å; E96-S741 PolarHBondContact OE1-OG 2.75Å; E96-A742 HydrophobicContact CG-CB 3.88Å; E96-A742 PolarHBondContact OE1-N 3.14Å
97	G	45.4	Very low	43.6	Very low	75 Å²	75	137.5 Å²	137.5	77%	0.773	72%	0.718	S	S	*	*			trans	-71.4	26	-168	0	0	0	0	0	117.7	P99	G97-P99 WeakPolarHBondContact O-CD 3.18Å
98	Q	39	Very low	44	Very low	148 Å²	148	139.7 Å²	139.7	69%	0.692	72%	0.723	S	S	*	*			trans	-92.2	115.8	-177.2	-82	-72.9	-11.6	0	0	112.7	E96	E96-Q98 PolarHBondContact O-N 3.26Å
99	P	43.7	Very low	44.1	Very low	97 Å²	97	139.1 Å²	139.1	63%	0.63	72%	0.721	S	S	*	*			trans	-71.4	144.9	170.3	30.9	-33.7	0	0	0	111.1	G97 N101	G97-P99 WeakPolarHBondContact O-CD 3.18Å; P99-N101 PolarHBondContact O-N 3.15Å
100	S	42.5	Very low	43.9	Very low	93 Å²	93	137.9 Å²	137.9	65%	0.65	73%	0.725	S	S	*	*			trans	-74.1	118.2	-175.2	54.6	0	0	0	0	113	L102	S100-L102 PolarHBondContact O-N 2.92Å
101	N	48	Very low	43.8	Very low	147 Å²	147	136.3 Å²	136.3	79%	0.786	72%	0.724	S	S	*	*			trans	-67.9	32.5	179.4	-74.9	-43.2	0	0	0	116	P99 N103	P99-N101 PolarHBondContact O-N 3.15Å; N101-N103 PolarHBondContact O-N 3.42Å
102	L	48.1	Very low	43.9	Very low	140 Å²	140	139.2 Å²	139.2	73%	0.733	73%	0.734	S	S	*	*			trans	-85.5	86.4	177.2	-89.6	163.3	0	0	0	111	S100 V104	S100-L102 PolarHBondContact O-N 2.92Å; L102-V104 VanDerWaalsContact C-N 3.27Å; L102-V104 HydrophobicContact CD2-CG2 4.46Å; L102-V104 PolarHBondContact O-N 3.27Å
103	N	42.2	Very low	43.8	Very low	146 Å²	146	139.4 Å²	139.4	78%	0.781	74%	0.735	S	S	*	*			trans	-66.1	80.5	172.3	-77.5	-25.4	0	0	0	111.7	N101	N101-N103 PolarHBondContact O-N 3.42Å
104	V	50.3	Low	43.8	Very low	92 Å²	92	137.3 Å²	137.3	56%	0.558	73%	0.733	S	S	*	*			trans	-120.4	130.9	172.3	-166.3	0	0	0	0	108.2	L102	L102-V104 VanDerWaalsContact C-N 3.27Å; L102-V104 HydrophobicContact CD2-CG2 4.46Å; L102-V104 PolarHBondContact O-N 3.27Å
105	F	38.2	Very low	44.1	Very low	151 Å²	151	140.8 Å²	140.8	66%	0.662	74%	0.741	S	S	*	*			trans	71.2	49.4	-176.5	-46.8	-66.9	0	0	0	117.3	L72	L72-F105 HydrophobicContact CD1-CE1 4.08Å
106	Q	46.1	Very low	43.5	Very low	164 Å²	164	139.5 Å²	139.5	77%	0.766	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-77.5	125.6	140.3	-70.6	-168.4	4.9	0	0	108.5
107	P	46.3	Very low	43.7	Very low	117 Å²	117	144.5 Å²	144.5	76%	0.76	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-86.2	123.8	176.1	31.5	-31.7	0	0	0	111.8
108	D	45.7	Very low	43.5	Very low	136 Å²	136	146.1 Å²	146.1	73%	0.727	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-61.8	139.6	-175.3	-68.7	-62	0	0	0	114.7	T110	D108-T110 PolarHBondContact O-N 2.69Å; D108-T110 PolarHBondContact O-OG1 2.99Å
109	P	43.1	Very low	43.6	Very low	123 Å²	123	143.7 Å²	143.7	80%	0.799	76%	0.761	S	S	*	*			trans	-72.8	86.1	177.9	30.6	-35.2	0	0	0	111.8	K111	P109-K111 PolarHBondContact O-N 3.28Å
110	T	43.2	Very low	43.9	Very low	132 Å²	132	144.7 Å²	144.7	81%	0.81	77%	0.767	S	S	*	*			trans	-75.5	119.3	-176	10.3	0	0	0	0	112.3	D108	D108-T110 PolarHBondContact O-N 2.69Å; D108-T110 PolarHBondContact O-OG1 2.99Å
111	K	37.4	Very low	43.9	Very low	204 Å²	204	149 Å²	149	89%	0.887	78%	0.777	S	S	*	*			trans	-69.6	137.3	-167.2	-56	174	-177.8	177	0	113.9	P109	P109-K111 PolarHBondContact O-N 3.28Å
112	R	41	Very low	43.7	Very low	246 Å²	246	150.1 Å²	150.1	93%	0.928	78%	0.782	S	S	*	*			trans	-153.7	105	155.5	-107.3	-179.3	-167.9	-163	1.6	114.2
113	S	45	Very low	43.7	Very low	117 Å²	117	147 Å²	147	82%	0.818	77%	0.772	S	S	*	*			trans	49.7	109.5	152.5	-143.4	0	0	0	0	122.2
114	H	35.6	Very low	44.1	Very low	165 Å²	165	151.9 Å²	151.9	76%	0.764	78%	0.779	S	S	*	*			trans	59.5	66.6	134.5	-125	-88.2	0	0	0	121.1
115	R	47.6	Very low	43.8	Very low	238 Å²	238	151.1 Å²	151.1	90%	0.898	77%	0.772	S	S	*	*			trans	-143.8	117	138.2	-165.2	174.2	-175.1	-180	1.3	110.1	Q117	R115-Q117 PolarHBondContact O-N 2.86Å; R115-Q117 VanDerWaalsContact O-N 3.08Å
116	N	36.1	Very low	44.4	Very low	131 Å²	131	150.1 Å²	150.1	70%	0.701	77%	0.772	S	S	*	*			trans	-81.3	88.5	-170.1	-64.6	-12.7	0	0	0	112.3
117	Q	53.2	Low	44.6	Very low	172 Å²	172	151.2 Å²	151.2	80%	0.804	77%	0.77	S	S	*	*			trans	-148.9	143.8	150.5	-75.9	-52.2	-31.4	0	0	109	R115	R115-Q117 PolarHBondContact O-N 2.86Å; R115-Q117 VanDerWaalsContact O-N 3.08Å
118	P	41.2	Very low	44.9	Very low	109 Å²	109	147.7 Å²	147.7	71%	0.708	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-71.2	146.3	-180	30.6	-33.9	0	0	0	111.2	P120	P118-P120 WeakPolarHBondContact O-CD 3.24Å
119	A	42.4	Very low	45.4	Very low	97 Å²	97	151.5 Å²	151.5	80%	0.802	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-74.3	120.3	175.6	0	0	0	0	0	110.3
120	P	48.5	Very low	46.4	Very low	118 Å²	118	150 Å²	150	77%	0.766	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-63.4	140.3	172.1	-19	32.7	0	0	0	109.9	P118 L122	P118-P120 WeakPolarHBondContact O-CD 3.24Å; P120-L122 PolarHBondContact O-N 3.13Å; P120-L122 VanDerWaalsContact O-N 3.14Å
121	Q	42.2	Very low	47.6	Very low	184 Å²	184	151.2 Å²	151.2	86%	0.86	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-63.3	118.1	174.1	-65.8	-173.2	10.5	0	0	109.3	S123	Q121-S123 PolarHBondContact O-N 3.32Å
122	L	43.8	Very low	49.5	Very low	170 Å²	170	145 Å²	145	89%	0.89	70%	0.703	S	S	*	*			trans	-74.5	77	163.2	-69.9	176.2	0	0	0	108.4	P120	P120-L122 PolarHBondContact O-N 3.13Å; P120-L122 VanDerWaalsContact O-N 3.14Å
123	S	49.1	Very low	51.2	Low	75 Å²	75	135.6 Å²	135.6	52%	0.524	67%	0.674	S	S	.	*			trans	-49.6	152.5	159.1	54.6	0	0	0	0	109.1	Q121 I125	Q121-S123 PolarHBondContact O-N 3.32Å; S123-I125 PolarHBondContact O-N 3.2Å; S123-I125 VanDerWaalsContact OG-CG1 3.24Å; S123-I125 WeakPolarHBondContact OG-CG1 2.98Å
124	R	51.1	Low	52.8	Low	248 Å²	248	138 Å²	138	94%	0.936	67%	0.665	S	S	*	*			trans	-73.8	68.7	167.5	-78.1	-174.3	179.7	159.3	1.2	108.9	L126	R124-L126 PolarHBondContact O-N 3.36Å; R124-L126 VanDerWaalsContact O-N 3.17Å
125	I	44.1	Very low	54.4	Low	77 Å²	77	135.1 Å²	135.1	40%	0.395	65%	0.65	S	S	.	*			trans	-53.5	123.8	164.2	-44.4	-178.4	0	0	0	105.8	S123 E401 I402	S123-I125 PolarHBondContact O-N 3.2Å; S123-I125 VanDerWaalsContact OG-CG1 3.24Å; S123-I125 WeakPolarHBondContact OG-CG1 2.98Å; I125-E401 HydrophobicContact CG2-CB 4.27Å; I125-E401 HydrophobicContact CG2-CG 3.96Å; I125-I402 HydrophobicContact CB-CG2 3.97Å; I125-I402 HydrophobicContact CG2-CB 3.91Å; I125-I402 HydrophobicContact CG2-CD1 3.73Å; I125-I402 HydrophobicContact CG2-CG1 3.51Å; I125-I402 HydrophobicContact CG2-CG2 3.31Å
126	L	49.4	Very low	56.3	Low	129 Å²	129	126.8 Å²	126.8	68%	0.675	63%	0.627	S	S	*	*			trans	-71.6	-156.2	-175.6	-79	163.1	0	0	0	108.8	R124 E401 I402	R124-L126 PolarHBondContact O-N 3.36Å; R124-L126 VanDerWaalsContact O-N 3.17Å; L126-E401 PolarHBondContact N-OE1 3.44Å; L126-I402 WeakPolarHBondContact O-CD1 3.43Å
127	R	51	Low	58.2	Low	188 Å²	188	125.4 Å²	125.4	71%	0.709	62%	0.615	S	S	*	*			trans	-114.1	130.6	158.3	-80.7	-176	161.4	127.2	1.5	105.9	R129 N403	R127-R129 PolarHBondContact O-N 3.24Å; R127-N403 HydrophobicContact CG-CB 4.41Å; R127-N403 PolarHBondContact NE-OD1 2.98Å
128	P	51.5	Low	59.5	Low	42 Å²	42	124.6 Å²	124.6	27%	0.273	61%	0.609	S	S	.	*			trans	-66.8	134	-178.6	19.6	-6.6	0	0	0	103.4	R130 I402	P128-R130 HydrophobicContact CG-CG 4.33Å; P128-R130 PolarHBondContact O-N 3.36Å; P128-I402 HydrophobicContact CB-CD1 4.09Å; P128-I402 HydrophobicContact CG-CB 4.26Å; P128-I402 HydrophobicContact CG-CD1 3.73Å; P128-I402 HydrophobicContact CG-CG1 3.81Å; P128-I402 WeakPolarHBondContact CG-O 3.42Å
129	R	56	Low	61.1	Low	216 Å²	216	121.1 Å²	121.1	82%	0.815	59%	0.59	S	S	*	*			trans	-72.9	73.3	172.8	-68.3	179.8	-179.4	168.5	1.9	106	R127 F131	R127-R129 PolarHBondContact O-N 3.24Å; R129-F131 HydrophobicContact CB-CZ 4.46Å; R129-F131 WeakPolarHBondContact O-CA 3.24Å; R129-F131 WeakPolarHBondContact O-CD2 3.46Å; R129-F131 VanDerWaalsContact O-CG 3.25Å; R129-F131 WeakPolarHBondContact O-CG 3.24Å; R129-F131 PolarHBondContact O-N 2.82Å
130	R	64.6	Low	61.7	Low	91 Å²	91	122.3 Å²	122.3	34%	0.343	58%	0.577	S	S	.	*			trans	-44.9	105.8	-176.7	-73.7	-172	66	154	-1.5	106.5	P128 V132 A139	P128-R130 HydrophobicContact CG-CG 4.33Å; P128-R130 PolarHBondContact O-N 3.36Å; R130-V132 VanDerWaalsContact C-N 3.33Å; R130-V132 PolarHBondContact O-N 3.16Å; R130-A139 HydrophobicContact CB-CB 4.18Å
131	F	67.8	Low	62.3	Low	159 Å²	159	122.3 Å²	122.3	70%	0.697	57%	0.566	S	S	*	*			trans	-73.2	98.4	-164	-77.3	-81.5	0	0	0	106.7	R129 C133 F140	R129-F131 HydrophobicContact CB-CZ 4.46Å; R129-F131 WeakPolarHBondContact O-CA 3.24Å; R129-F131 WeakPolarHBondContact O-CD2 3.46Å; R129-F131 VanDerWaalsContact O-CG 3.25Å; R129-F131 WeakPolarHBondContact O-CG 3.24Å; R129-F131 PolarHBondContact O-N 2.82Å; F131-C133 VanDerWaalsContact C-N 3.29Å; F131-C133 PolarHBondContact O-N 2.76Å; F131-F140 PolarHBondContact O-N 2.73Å; F131-F140 VanDerWaalsContact O-N 3.08Å
132	V	79	Confident	63.1	Low	74 Å²	74	120.6 Å²	120.6	45%	0.448	56%	0.563	S	S	.	*	B	Isolated β-bridge	trans	-69.3	95.6	173.1	178.8	0	0	0	0	105.6	R130 R134 K137 A139	R130-V132 VanDerWaalsContact C-N 3.33Å; R130-V132 PolarHBondContact O-N 3.16Å; V132-R134 PolarHBondContact O-N 3.15Å; V132-R134 VanDerWaalsContact O-N 3.15Å; V132-K137 HydrophobicContact CG1-CB 4.35Å; V132-A139 HydrophobicContact CG2-CB 4.16Å
133	C	76.2	Confident	63.4	Low	47 Å²	47	118.2 Å²	118.2	32%	0.318	55%	0.547	S	S	.	.			trans	-50	123.2	172	168.7	0	0	0	0	107.4	F131 K135 K137 K138 F140	F131-C133 VanDerWaalsContact C-N 3.29Å; F131-C133 PolarHBondContact O-N 2.76Å; C133-K135 PolarHBondContact O-N 2.89Å; C133-K137 WeakPolarHBondContact O-CA 3.4Å; C133-K137 PolarHBondContact O-N 2.76Å; C133-K138 PolarHBondContact N-O 2.94Å; C133-F140 HydrophobicContact CB-CD2 3.83Å; C133-F140 HydrophobicContact CB-CE2 4.07Å
134	R	78.6	Confident	63.3	Low	169 Å²	169	122.2 Å²	122.2	64%	0.638	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.3	-58.2	-169.9	-65.6	-176.9	-177.7	-178.1	4.2	109.4	V132 C136 K137 E547	V132-R134 PolarHBondContact O-N 3.15Å; V132-R134 VanDerWaalsContact O-N 3.15Å; R134-C136 PolarHBondContact O-N 3.49Å; R134-K137 WeakPolarHBondContact O-CG 3.13Å; R134-K137 PolarHBondContact O-NZ 3.15Å; R134-E547 VanDerWaalsContact C-OE1 3.27Å; R134-E547 HydrophobicContact CB-CG 4.26Å; R134-E547 VanDerWaalsContact O-CD 3.29Å
135	K	70	Confident	62.5	Low	104 Å²	104	119 Å²	119	45%	0.452	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-46	-66.5	179.8	-68.8	179.6	174.9	176.9	0	113.2	C133 E547 S550	C133-K135 PolarHBondContact O-N 2.89Å; K135-E547 HydrophobicContact CG-CB 4.45Å; K135-E547 HydrophobicContact CG-CG 4.43Å; K135-S550 WeakPolarHBondContact CE-O 3.23Å; K135-S550 WeakPolarHBondContact CE-OG 3.37Å; K135-S550 PolarHBondContact NZ-O 2.87Å
136	C	85.6	Confident	61.9	Low	62 Å²	62	118.1 Å²	118.1	42%	0.419	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.5	-12.6	-170.2	68.6	0	0	0	0	114.8	R134 K138	R134-C136 PolarHBondContact O-N 3.49Å; C136-K138 HydrophobicContact CB-CG 4.37Å; C136-K138 PolarHBondContact O-N 3.03Å
137	K	77.5	Confident	61.2	Low	103 Å²	103	118 Å²	118	45%	0.448	57%	0.567	S	S	.	*			trans	55.1	4.7	-174.5	-61.8	173.4	-172.9	54.7	0	115.5	V132 C133 R134 A139 E547	V132-K137 HydrophobicContact CG1-CB 4.35Å; C133-K137 WeakPolarHBondContact O-CA 3.4Å; C133-K137 PolarHBondContact O-N 2.76Å; R134-K137 WeakPolarHBondContact O-CG 3.13Å; R134-K137 PolarHBondContact O-NZ 3.15Å; K137-A139 PolarHBondContact O-N 3.02Å; K137-E547 IonicContact NZ-OE1 3.78Å; K137-E547 PolarHBondContact NZ-OE1 2.86Å; K137-E547 IonicContact NZ-OE2 2.79Å; K137-E547 PolarHBondContact NZ-OE2 3.42Å
138	K	79.4	Confident	60.4	Low	154 Å²	154	116.8 Å²	116.8	67%	0.67	57%	0.569	S	S	*	*			trans	-63.8	129.3	163.2	-60	-178.6	179.9	179.3	0	107.1	C133 C136 F140	C133-K138 PolarHBondContact N-O 2.94Å; C136-K138 HydrophobicContact CB-CG 4.37Å; C136-K138 PolarHBondContact O-N 3.03Å; K138-F140 PolarHBondContact O-N 3.42Å; K138-F140 VanDerWaalsContact O-N 3.13Å
139	A	75.7	Confident	59.4	Low	37 Å²	37	123.1 Å²	123.1	31%	0.306	60%	0.6	S	S	.	*	B	Isolated β-bridge	trans	-71.9	101.2	166.1	0	0	0	0	0	106.9	R130 V132 K137 H141	R130-A139 HydrophobicContact CB-CB 4.18Å; V132-A139 HydrophobicContact CG2-CB 4.16Å; K137-A139 PolarHBondContact O-N 3.02Å; A139-H141 PolarHBondContact O-N 3.18Å; A139-H141 VanDerWaalsContact O-N 3.12Å
140	F	55.3	Low	58.4	Low	122 Å²	122	118 Å²	118	54%	0.535	60%	0.598	S	S	.	*			trans	-55.3	123	172.3	-99.1	-101.9	0	0	0	107.6	F131 C133 K138	F131-F140 PolarHBondContact O-N 2.73Å; F131-F140 VanDerWaalsContact O-N 3.08Å; C133-F140 HydrophobicContact CB-CD2 3.83Å; C133-F140 HydrophobicContact CB-CE2 4.07Å; K138-F140 PolarHBondContact O-N 3.42Å; K138-F140 VanDerWaalsContact O-N 3.13Å
141	H	59.9	Low	57.1	Low	117 Å²	117	118.6 Å²	118.6	54%	0.542	62%	0.615	S	S	.	*			trans	-75.6	120	151.4	-156.5	-61.3	0	0	0	103.9	A139 E143	A139-H141 PolarHBondContact O-N 3.18Å; A139-H141 VanDerWaalsContact O-N 3.12Å; H141-E143 VanDerWaalsContact C-N 3.26Å; H141-E143 HydrophobicContact CB-CG 4.01Å; H141-E143 WeakPolarHBondContact ND1-CG 3.36Å; H141-E143 PolarHBondContact O-N 3.05Å; H141-E143 VanDerWaalsContact O-N 3.16Å
142	L	59.8	Low	55.5	Low	149 Å²	149	115.5 Å²	115.5	78%	0.78	61%	0.614	S	S	*	*			trans	-79.1	93.5	163.2	-168.2	71.4	0	0	0	104.1	E144	L142-E144 VanDerWaalsContact C-N 3.34Å; L142-E144 PolarHBondContact O-N 2.85Å
143	E	50.6	Low	53.3	Low	119 Å²	119	120.5 Å²	120.5	56%	0.556	63%	0.63	S	S	*	*			trans	-79.5	90.7	170.9	-70.1	179.2	146.2	0	0	106.6	H141 H145	H141-E143 VanDerWaalsContact C-N 3.26Å; H141-E143 HydrophobicContact CB-CG 4.01Å; H141-E143 WeakPolarHBondContact ND1-CG 3.36Å; H141-E143 PolarHBondContact O-N 3.05Å; H141-E143 VanDerWaalsContact O-N 3.16Å; E143-H145 CarbonylContact O-C 3.48Å; E143-H145 PolarHBondContact O-N 3.32Å
144	E	45.5	Very low	51.2	Low	160 Å²	160	125.6 Å²	125.6	75%	0.748	65%	0.653	S	S	*	*	S	Bend	trans	-55	112.4	155	-69.7	-177.3	121.2	0	0	106.2	L142	L142-E144 VanDerWaalsContact C-N 3.34Å; L142-E144 PolarHBondContact O-N 2.85Å
145	H	35.6	Very low	49	Very low	180 Å²	180	122.3 Å²	122.3	83%	0.833	65%	0.652	S	S	*	*	S	Bend	trans	67.4	107.8	-160.3	-38.2	-74.7	0	0	0	114.5	E143	E143-H145 CarbonylContact O-C 3.48Å; E143-H145 PolarHBondContact O-N 3.32Å
146	G	31.3	Very low	47.2	Very low	59 Å²	59	123.6 Å²	123.6	61%	0.608	66%	0.664	S	S	*	*			trans	161.7	-16.7	159.8	0	0	0	0	0	121.4
147	T	34.7	Very low	44.7	Very low	125 Å²	125	127 Å²	127	77%	0.767	68%	0.677	S	S	*	*			trans	-64.1	139.4	167.9	-17.9	0	0	0	0	107.9
148	E	32.6	Very low	42.7	Very low	163 Å²	163	128.4 Å²	128.4	76%	0.762	69%	0.688	S	S	*	*			cis	-142.8	151.4	23.2	-25.8	-160.5	137.4	0	0	114.5
149	L	30.8	Very low	40.5	Very low	175 Å²	175	127 Å²	127	92%	0.916	69%	0.688	S	S	*	*			trans	-149.6	104.3	145.2	-82.4	-172	0	0	0	109.3
150	S	34.9	Very low	38.5	Very low	109 Å²	109	134 Å²	134	76%	0.762	71%	0.706	S	S	*	*			trans	-158.1	135.5	163.4	-78.9	0	0	0	0	110.6
151	S	38.5	Very low	37.5	Very low	103 Å²	103	138.3 Å²	138.3	72%	0.72	72%	0.719	S	S	*	*			trans	47.7	97.7	164.4	50	0	0	0	0	118.6
152	S	33	Very low	36.4	Very low	94 Å²	94	138.2 Å²	138.2	66%	0.657	73%	0.727	S	S	*	*				26.7	145.9	116.1	59.5	0	0	0	0	120.6
153	F	33	Very low	35.5	Very low	179 Å²	179	136.1 Å²	136.1	79%	0.785	72%	0.723	S	S	*	*			trans	82.4	104.8	-175.1	-55.1	-73.6	0	0	0	111.3
154	L	33.9	Very low	34.9	Very low	155 Å²	155	137 Å²	137	81%	0.812	73%	0.732	S	S	*	*				70.8	130.7	79	-72	-165.6	0	0	0	110.9
155	T	30.4	Very low	34.7	Very low	99 Å²	99	134.2 Å²	134.2	61%	0.607	73%	0.73	S	S	*	*			cis	-161.8	158.3	4.6	-144.7	0	0	0	0	112
156	D	32.9	Very low	34.9	Very low	132 Å²	132	131 Å²	131	71%	0.706	73%	0.728	S	S	*	*			trans	62	163.6	156.6	-60.5	10	0	0	0	118.4
157	L	32.5	Very low	35.2	Very low	133 Å²	133	132.3 Å²	132.3	70%	0.696	73%	0.733	S	S	*	*			cis	-149.1	167.3	-6.8	-150.6	67.1	0	0	0	109.4
158	I	35.5	Very low	35.6	Very low	133 Å²	133	130.5 Å²	130.5	68%	0.682	72%	0.718	S	S	*	*			trans	72	135.8	165.8	-52.1	147.4	0	0	0	114.1
159	D	34.9	Very low	35.9	Very low	125 Å²	125	124.7 Å²	124.7	67%	0.668	70%	0.695	S	S	*	*			cis	-105.3	126.4	-1.4	-96.1	-51.2	0	0	0	110
160	R	33.8	Very low	36.3	Very low	182 Å²	182	119 Å²	119	69%	0.687	67%	0.67	S	S	*	*				93.7	119	67.9	-87.5	-162.4	-178.5	152.2	-6.8	114.2
161	R	34.5	Very low	36.6	Very low	213 Å²	213	119 Å²	119	80%	0.804	66%	0.662	S	S	*	*			trans	73.5	132.8	152	-63.7	171.7	-177.7	177.3	-0.6	115.9
162	T	36.9	Very low	36.8	Very low	116 Å²	116	117.5 Å²	117.5	71%	0.712	65%	0.646	S	S	*	*			cis	-151.4	146.3	4.8	43.6	0	0	0	0	112.4
163	C	40.3	Very low	37.2	Very low	104 Å²	104	118.5 Å²	118.5	70%	0.703	64%	0.64	S	S	*	*			trans	55.5	138.6	134	-63.5	0	0	0	0	122
164	D	37.7	Very low	37.6	Very low	139 Å²	139	113.4 Å²	113.4	74%	0.743	62%	0.624	S	S	*	*			cis	-157.9	159.4	1.7	-90.8	-28	0	0	0	113.1
165	S	40.6	Very low	37.9	Very low	101 Å²	101	109.4 Å²	109.4	71%	0.706	61%	0.608	S	S	*	*			trans	51.1	116.2	147.3	-59.7	0	0	0	0	121.6
166	S	40	Very low	38.1	Very low	113 Å²	113	111.1 Å²	111.1	79%	0.79	61%	0.609	S	S	*	*				85.2	138.7	59.7	71.7	0	0	0	0	115.3
167	A	38.4	Very low	38	Very low	86 Å²	86	113.7 Å²	113.7	71%	0.711	61%	0.61	S	S	*	*			cis	-166.8	168.3	-15.1	0	0	0	0	0	113.2
168	L	43.6	Very low	38.1	Very low	87 Å²	87	114.6 Å²	114.6	46%	0.455	62%	0.615	S	S	.	*			trans	88.8	168.8	154.5	-56.4	164.7	0	0	0	123.7	S624 E625	L168-S624 WeakPolarHBondContact CD1-O 3.44Å; L168-S624 VanDerWaalsContact CD2-O 3.23Å; L168-S624 WeakPolarHBondContact CD2-O 3.34Å; L168-E625 HydrophobicContact CD1-CB 4.18Å; L168-E625 HydrophobicContact CD1-CG 3.56Å
169	S	37.2	Very low	38.2	Very low	40 Å²	40	112.7 Å²	112.7	28%	0.28	61%	0.611	S	S	.	*			trans	-160.2	-106.4	179.6	78	0	0	0	0	121.7	R622 N623	S169-R622 CarbonylContact C-O 3.57Å; S169-R622 WeakPolarHBondContact CA-O 3.27Å; S169-R622 PolarHBondContact N-O 3.37Å; S169-R622 PolarHBondContact OG-N 3Å; S169-R622 PolarHBondContact OG-O 2.86Å; S169-N623 VanDerWaalsContact C-OD1 3.24Å; S169-N623 PolarHBondContact N-OD1 2.97Å; S169-N623 PolarHBondContact O-ND2 2.98Å; S169-N623 PolarHBondContact O-OD1 2.98Å
170	S	39.9	Very low	38	Very low	55 Å²	55	115.9 Å²	115.9	39%	0.385	62%	0.619	S	S	.	*			trans	-164.6	146.3	-168.9	-28	0	0	0	0	118.5	N621 R622	S170-N621 CarbonylContact O-C 3.19Å; S170-N621 WeakPolarHBondContact O-CA 3.46Å; S170-N621 WeakPolarHBondContact O-CB 3.23Å; S170-N621 PolarHBondContact OG-ND2 3.14Å; S170-R622 VanDerWaalsContact N-C 3.32Å; S170-R622 PolarHBondContact N-O 2.67Å; S170-R622 VanDerWaalsContact O-CA 3.29Å; S170-R622 WeakPolarHBondContact O-CA 3.49Å; S170-R622 PolarHBondContact O-N 3.13Å
171	D	41.7	Very low	38	Very low	110 Å²	110	111.4 Å²	111.4	59%	0.588	62%	0.616	S	S	*	*			trans	-130.1	169.8	165	-74.2	-78.8	0	0	0	110	R622 N623	D171-R622 VanDerWaalsContact OD2-CA 3.31Å; D171-R622 WeakPolarHBondContact OD2-CA 3.24Å; D171-N623 PolarHBondContact OD2-N 2.82Å
172	N	41.8	Very low	38	Very low	72 Å²	72	107.9 Å²	107.9	39%	0.385	61%	0.613	S	S	.	*			cis	-148.2	-148.9	15.1	-152.8	-10.7	0	0	0	112.7	C575 N576 P577	N172-C575 PolarHBondContact ND2-N 3.37Å; N172-N576 VanDerWaalsContact CB-OD1 3.22Å; N172-N576 WeakPolarHBondContact CB-OD1 3.38Å; N172-N576 PolarHBondContact ND2-OD1 3.47Å; N172-P577 VanDerWaalsContact O-CB 3.27Å; N172-P577 WeakPolarHBondContact O-CB 3.46Å
173	E	41	Very low	38.2	Very low	114 Å²	114	109.2 Å²	109.2	53%	0.533	61%	0.614	S	S	.	*			trans	-120.5	178.6	-160.5	49.9	91.8	59	0	0	118.8	N576 P577	E173-N576 PolarHBondContact N-OD1 3.04Å; E173-N576 WeakPolarHBondContact O-CA 2.93Å; E173-N576 WeakPolarHBondContact O-CB 3.47Å; E173-N576 PolarHBondContact O-ND2 3.48Å; E173-N576 PolarHBondContact O-OD1 2.87Å; E173-N576 VanDerWaalsContact O-OD1 3.11Å; E173-N576 PolarHBondContact OE2-ND2 2.63Å; E173-N576 PolarHBondContact OE2-OD1 3.22Å; E173-P577 VanDerWaalsContact C-CD 3.48Å; E173-P577 WeakPolarHBondContact O-CD 3.12Å; E173-P577 WeakPolarHBondContact O-CG 3.08Å
174	V	42.8	Very low	38	Very low	73 Å²	73	108.8 Å²	108.8	44%	0.442	61%	0.612	S	S	.	*			trans	84.9	143.3	175.5	174.8	0	0	0	0	120.2	P577	V174-P577 WeakPolarHBondContact O-CD 2.95Å; V174-P577 WeakPolarHBondContact O-CG 3Å
175	S	38.6	Very low	38.2	Very low	70 Å²	70	107.6 Å²	107.6	49%	0.49	61%	0.606	S	S	.	*			cis	-167.9	177.7	-27.9	-89	0	0	0	0	111.5
176	H	34.5	Very low	38.1	Very low	136 Å²	136	110 Å²	110	63%	0.63	61%	0.606	S	S	*	*			trans	97.4	116.2	149.7	-69.3	-65.2	0	0	0	122.3
177	Y	32.5	Very low	37.9	Very low	186 Å²	186	111.6 Å²	111.6	73%	0.729	60%	0.604	S	S	*	*			trans	65.6	108.3	141	-59.2	-35.6	0	0	0	119.1
178	L	33.2	Very low	37.6	Very low	151 Å²	151	113.6 Å²	113.6	79%	0.791	61%	0.608	S	S	*	*				107.2	163	71.4	-96.2	178.4	0	0	0	109.9
179	P	37.8	Very low	37.3	Very low	93 Å²	93	114.6 Å²	114.6	60%	0.604	62%	0.62	S	S	*	*				-127.6	-165.9	-119.3	43.1	-27.1	0	0	0	114.4
180	K	30.8	Very low	36.9	Very low	193 Å²	193	116.6 Å²	116.6	84%	0.839	64%	0.639	S	S	*	*			trans	74.3	160.6	172.9	-61	164.6	-179.5	177.6	0	113.6
181	S	33.3	Very low	36.5	Very low	88 Å²	88	121 Å²	121	62%	0.615	66%	0.656	S	S	*	*			cis	179.6	146.8	-30.3	57.2	0	0	0	0	107
182	N	34.4	Very low	36.1	Very low	139 Å²	139	122.9 Å²	122.9	74%	0.743	67%	0.665	S	S	*	*			trans	169.4	158.5	136.2	-96.1	-23.5	0	0	0	114.9
183	I	41.1	Very low	35.7	Very low	144 Å²	144	126.3 Å²	126.3	74%	0.738	68%	0.684	S	S	*	*			trans	47.6	120.2	136.9	-60.5	164.6	0	0	0	116.4
184	S	37.6	Very low	35.6	Very low	94 Å²	94	123.7 Å²	123.7	66%	0.657	69%	0.687	S	S	*	*			cis	-154.1	-165.7	12.8	-131	0	0	0	0	110.5
185	D	42	Very low	35.2	Very low	115 Å²	115	127.7 Å²	127.7	62%	0.615	71%	0.706	S	S	*	*			cis	-144.7	161.9	7.3	-119.3	-15	0	0	0	109.2
186	Q	38.1	Very low	35.2	Very low	151 Å²	151	128.5 Å²	128.5	71%	0.706	71%	0.712	S	S	*	*				44.9	132	82.5	-53.7	-169.4	104	0	0	115.4
187	I	36.7	Very low	35.6	Very low	146 Å²	146	130.9 Å²	130.9	75%	0.749	72%	0.723	S	S	*	*			cis	-154.3	155.9	0.1	-123.1	166.6	0	0	0	110.3
188	T	32	Very low	35.6	Very low	128 Å²	128	126.3 Å²	126.3	79%	0.785	72%	0.718	S	S	*	*			trans	-94.2	-174.9	172.8	0.3	0	0	0	0	109.7
189	P	36.3	Very low	35.5	Very low	109 Å²	109	125 Å²	125	71%	0.708	71%	0.711	S	S	*	*			cis	-131.9	-152.9	-13	35	-11.6	0	0	0	112
190	A	28.9	Very low	35.2	Very low	82 Å²	82	130.1 Å²	130.1	68%	0.678	72%	0.718	S	S	*	*			trans	72.5	162.4	146.8	0	0	0	0	0	117.5
191	I	30.6	Very low	35.5	Very low	147 Å²	147	129.6 Å²	129.6	75%	0.754	72%	0.719	S	S	*	*			cis	-158.8	150.2	-16.4	-116.5	169.5	0	0	0	108.9
192	L	33.8	Very low	35.4	Very low	149 Å²	149	131.4 Å²	131.4	78%	0.78	73%	0.726	S	S	*	*			trans	63.3	168.7	167.2	-107.5	65.4	0	0	0	116.5
193	N	34.1	Very low	35.9	Very low	144 Å²	144	131.6 Å²	131.6	77%	0.77	73%	0.732	S	S	*	*			cis	-149.8	150	-4.5	-154	-0.1	0	0	0	112.8
194	G	37.5	Very low	35.4	Very low	59 Å²	59	129.5 Å²	129.5	61%	0.608	73%	0.728	S	S	*	*			trans	60.5	171.4	165.9	0	0	0	0	0	117.3
195	N	35	Very low	35.2	Very low	157 Å²	157	130 Å²	130	84%	0.84	73%	0.729	S	S	*	*			cis	-157	146.7	-22.1	-106.1	-4.6	0	0	0	105.5
196	S	39.9	Very low	34.7	Very low	87 Å²	87	131.7 Å²	131.7	61%	0.608	74%	0.736	S	S	*	*			cis	-144.4	145.5	8.7	-76.1	0	0	0	0	110.4
197	Q	41.3	Very low	34.6	Very low	186 Å²	186	131.5 Å²	131.5	87%	0.869	74%	0.739	S	S	*	*			trans	52.4	146.4	139.9	-63.6	-171.1	33.3	0	0	120.1
198	S	32.8	Very low	34.5	Very low	90 Å²	90	130.3 Å²	130.3	63%	0.629	74%	0.74	S	S	*	*			cis	153.5	144.6	3.8	-178.3	0	0	0	0	104.2
199	I	32	Very low	34.5	Very low	123 Å²	123	132.7 Å²	132.7	63%	0.631	74%	0.74	S	S	*	*			cis	-153.3	148.3	-9.3	-117	175.3	0	0	0	109.3
200	R	31.6	Very low	34.3	Very low	201 Å²	201	134.6 Å²	134.6	76%	0.758	74%	0.743	S	S	*	*			trans	19.9	151.5	147.6	-46.3	159.1	-157.6	-110.8	-0.8	121.6
201	H	36.1	Very low	34.4	Very low	183 Å²	183	136 Å²	136	85%	0.847	74%	0.739	S	S	*	*			trans	8.3	126.7	139.9	-61	-108.7	0	0	0	118.8
202	V	32.2	Very low	34.8	Very low	126 Å²	126	136.2 Å²	136.2	76%	0.764	74%	0.737	S	S	*	*				-164.6	158.7	114.7	136.4	0	0	0	0	108.2	P204	V202-P204 HydrophobicContact CG1-CG 4.36Å; V202-P204 WeakPolarHBondContact O-CD 3.3Å
203	T	43.4	Very low	35	Very low	143 Å²	143	136.7 Å²	136.7	88%	0.877	74%	0.735	S	S	*	*			trans	-94.4	110.8	168.3	-57.9	0	0	0	0	110.3
204	P	30.9	Very low	35.3	Very low	100 Å²	100	137 Å²	137	65%	0.649	73%	0.734	S	S	*	*			trans	-122.5	-178.3	155.1	39	-24	0	0	0	110.1	V202	V202-P204 HydrophobicContact CG1-CG 4.36Å; V202-P204 WeakPolarHBondContact O-CD 3.3Å
205	P	34.3	Very low	35.4	Very low	105 Å²	105	142.5 Å²	142.5	68%	0.682	74%	0.741	S	S	*	*			trans	-130.4	-157.7	-144.1	43.3	-27.8	0	0	0	113.8
206	I	31.2	Very low	35.7	Very low	149 Å²	149	142.9 Å²	142.9	76%	0.764	74%	0.741	S	S	*	*			trans	70.4	136.5	157.6	-68.7	165.9	0	0	0	116.6	P208	I206-P208 WeakPolarHBondContact O-CD 3.44Å
207	I	35.3	Very low	35.6	Very low	148 Å²	148	144.5 Å²	144.5	76%	0.759	74%	0.743	S	S	*	*			trans	-79.1	127.4	176.5	-61.8	158.5	0	0	0	110.1
208	P	35.5	Very low	35.6	Very low	120 Å²	120	142 Å²	142	78%	0.779	74%	0.741	S	S	*	*			trans	-85.7	138.7	153.6	-6.4	26.2	0	0	0	110.3	I206	I206-P208 WeakPolarHBondContact O-CD 3.44Å
209	K	31.6	Very low	36.1	Very low	179 Å²	179	143.5 Å²	143.5	78%	0.778	74%	0.741	S	S	*	*			trans	-99.4	-177.7	168.2	-74.4	180	176.8	177	0	109.5
210	L	32.1	Very low	36.5	Very low	149 Å²	149	144.7 Å²	144.7	78%	0.78	75%	0.749	S	S	*	*			trans	79.9	155.1	160.6	-44.3	-178.8	0	0	0	113
211	N	31.6	Very low	36.9	Very low	112 Å²	112	139.2 Å²	139.2	60%	0.599	74%	0.742	S	S	*	*			cis	-157	-179.1	-3.9	16.2	-22.9	0	0	0	110
212	E	37.9	Very low	37.1	Very low	151 Å²	151	135.4 Å²	135.4	71%	0.706	74%	0.736	S	S	*	*			trans	73.4	140.5	154.9	-79.5	135	-133.4	0	0	119.6
213	E	39.7	Very low	37.4	Very low	158 Å²	158	138.3 Å²	138.3	74%	0.738	74%	0.738	S	S	*	*			cis	-160.6	-179.8	-16.6	-133.2	-178	-159.4	0	0	113.5
214	M	39	Very low	37.1	Very low	151 Å²	151	136.2 Å²	136.2	74%	0.744	73%	0.729	S	S	*	*			trans	64	111.5	174.1	-66.3	-163.6	172.9	0	0	117.7
215	K	40.4	Very low	37.4	Very low	174 Å²	174	137.6 Å²	137.6	76%	0.757	73%	0.727	S	S	*	*				75	139.4	74.3	-71.1	175.3	-179.5	174.8	0	111.9
216	I	41	Very low	37.5	Very low	166 Å²	166	139.1 Å²	139.1	85%	0.851	73%	0.728	S	S	*	*			cis	-134	164	45.1	-68.2	154.2	0	0	0	112.5
217	N	36.8	Very low	37.7	Very low	120 Å²	120	138.7 Å²	138.7	64%	0.642	73%	0.727	S	S	*	*			trans	-75	-176.8	-177.5	-45.9	-7.1	0	0	0	112.3
218	V	42.7	Very low	37.7	Very low	135 Å²	135	136.2 Å²	136.2	82%	0.818	72%	0.723	S	S	*	*				-146.3	149	56.7	171.1	0	0	0	0	113.2
219	D	42.5	Very low	37.6	Very low	120 Å²	120	135.4 Å²	135.4	64%	0.642	72%	0.72	S	S	*	*			trans	-35.1	170.8	171.4	-51.5	-85.2	0	0	0	117.8
220	D	40.5	Very low	37.6	Very low	148 Å²	148	131.1 Å²	131.1	79%	0.791	71%	0.713	S	S	*	*			cis	-148.3	-173.2	27.3	-162.1	9.3	0	0	0	115.6
221	S	41	Very low	37.6	Very low	87 Å²	87	130.4 Å²	130.4	61%	0.608	71%	0.71	S	S	*	*			trans	-92.6	178.8	-149.8	-54.1	0	0	0	0	114.4
222	S	39.9	Very low	37.6	Very low	103 Å²	103	132.2 Å²	132.2	72%	0.72	72%	0.718	S	S	*	*			cis	-157.9	141.2	26.6	-59.1	0	0	0	0	115.9
223	K	37.4	Very low	37.4	Very low	186 Å²	186	135.6 Å²	135.6	81%	0.809	72%	0.724	S	S	*	*				32.6	131.8	129.8	-59.9	170.6	-176.3	170.2	0	120
224	S	38.8	Very low	37.1	Very low	100 Å²	100	132.1 Å²	132.1	70%	0.699	72%	0.718	S	S	*	*			cis	72.2	134.6	4.1	98.8	0	0	0	0	117.8
225	E	35.3	Very low	36.9	Very low	128 Å²	128	134.3 Å²	134.3	60%	0.598	72%	0.723	S	S	*	*			cis	-176.6	-179.9	-16.5	-139.4	166.8	104	0	0	113.5	V334	E225-V334 HydrophobicContact CG-CG2 4.49Å; E225-V334 WeakPolarHBondContact OE1-CG2 3Å; E225-V334 WeakPolarHBondContact OE2-CG2 3.24Å
226	I	38.1	Very low	36.6	Very low	137 Å²	137	130.7 Å²	130.7	70%	0.703	72%	0.72	S	S	*	*			trans	82.7	131.9	150.4	-64.5	149.4	0	0	0	122.4
227	D	34.6	Very low	36.3	Very low	140 Å²	140	131.2 Å²	131.2	75%	0.749	72%	0.716	S	S	*	*				129.9	141.3	125.7	-115.6	-33.3	0	0	0	125
228	S	35.3	Very low	36.2	Very low	96 Å²	96	133.3 Å²	133.3	67%	0.671	72%	0.719	S	S	*	*			trans	55.5	121.7	139.2	-79.2	0	0	0	0	126.7
229	S	32.9	Very low	35.9	Very low	103 Å²	103	132.8 Å²	132.8	72%	0.72	71%	0.707	S	S	*	*				62.7	125.1	127.7	-139.3	0	0	0	0	123.3
230	S	32.3	Very low	35.4	Very low	89 Å²	89	134 Å²	134	62%	0.622	71%	0.708	S	S	*	*			trans	35.3	129.1	137.3	63.2	0	0	0	0	122
231	D	31.9	Very low	35.1	Very low	135 Å²	135	133.3 Å²	133.3	72%	0.722	70%	0.702	S	S	*	*			trans	80.9	119.4	146.4	-66.7	-43.7	0	0	0	121
232	I	32.2	Very low	34.7	Very low	150 Å²	150	132.6 Å²	132.6	77%	0.769	70%	0.697	S	S	*	*			trans	63.5	93.6	131.3	-57.8	169.2	0	0	0	116.3
233	R	32.5	Very low	34.4	Very low	221 Å²	221	134.7 Å²	134.7	83%	0.834	70%	0.696	S	S	*	*				139.8	114.3	109	-166.3	166.8	-170.4	-176.8	3.9	116.4
234	S	33.7	Very low	34.3	Very low	86 Å²	86	132.6 Å²	132.6	60%	0.601	69%	0.689	S	S	*	*			trans	67.5	130.6	142.1	-66.8	0	0	0	0	122.4
235	K	35.1	Very low	34	Very low	196 Å²	196	132 Å²	132	85%	0.852	69%	0.685	S	S	*	*			trans	71.3	149.9	143.3	-64.2	164	-174.9	-178.6	0	117.6
236	S	33.7	Very low	33.8	Very low	99 Å²	99	131 Å²	131	69%	0.692	69%	0.688	S	S	*	*			cis	-168	162.9	-25.3	58.3	0	0	0	0	111.3
237	K	34.8	Very low	33.6	Very low	177 Å²	177	133 Å²	133	77%	0.77	69%	0.691	S	S	*	*			trans	69.9	105.1	140.7	-167.7	-179.1	-176.1	-178.8	0	119.3
238	K	35.7	Very low	33.3	Very low	163 Å²	163	132.4 Å²	132.4	71%	0.709	69%	0.692	S	S	*	*			trans	67.4	163.9	145.7	-67	-170.4	160.6	-134.6	0	115.1
239	H	35.9	Very low	33.5	Very low	124 Å²	124	133.2 Å²	133.2	57%	0.574	70%	0.695	S	S	*	*			cis	-159.1	174.8	1.1	-129.2	-152.8	0	0	0	106.1
240	F	30.8	Very low	33.3	Very low	147 Å²	147	136.8 Å²	136.8	65%	0.645	70%	0.701	S	S	*	*			cis	-167.2	149.5	-3.4	-153.1	-160.2	0	0	0	108.2
241	I	35.3	Very low	33.2	Very low	133 Å²	133	137.1 Å²	137.1	68%	0.682	70%	0.703	S	S	*	*			trans	47.9	178.3	159.2	33.7	170.1	0	0	0	119.1
242	S	31.6	Very low	33.3	Very low	71 Å²	71	138 Å²	138	50%	0.497	71%	0.707	S	S	.	*			cis	-135.6	144.5	-10.4	-119.8	0	0	0	0	110.6
243	E	35.4	Very low	33.6	Very low	148 Å²	148	138.8 Å²	138.8	69%	0.692	71%	0.708	S	S	*	*				43.4	152.6	117.3	-56.4	-177.9	119.1	0	0	121
244	Q	34.5	Very low	34	Very low	141 Å²	141	132.1 Å²	132.1	66%	0.659	69%	0.693	S	S	*	*			cis	-163.6	161.7	-8.9	-118	-172.3	61.5	0	0	107.1
245	S	32.6	Very low	34.2	Very low	88 Å²	88	136 Å²	136	62%	0.615	70%	0.699	S	S	*	*			trans	59.8	144.5	145	-62.6	0	0	0	0	119.8
246	T	30.4	Very low	34.2	Very low	108 Å²	108	133.6 Å²	133.6	66%	0.663	69%	0.694	S	S	*	*			cis	-162.4	158.8	-3.4	8.9	0	0	0	0	110.6
247	K	34.2	Very low	34.3	Very low	178 Å²	178	134 Å²	134	77%	0.774	69%	0.693	S	S	*	*			trans	62.1	105.4	142.7	-69.5	168.4	-176.9	179.3	0	120.6
248	T	29.5	Very low	34.6	Very low	127 Å²	127	132.4 Å²	132.4	78%	0.779	69%	0.69	S	S	*	*				50.6	152.6	120.7	57.9	0	0	0	0	122.7
249	P	37.9	Very low	34.9	Very low	113 Å²	113	128.9 Å²	128.9	73%	0.734	69%	0.686	S	S	*	*			cis	-140.9	-162.4	-33.6	39.2	-19	0	0	0	113.6
250	E	30	Very low	35.3	Very low	179 Å²	179	131.8 Å²	131.8	84%	0.836	70%	0.697	S	S	*	*			trans	91.9	144.5	148.7	-158.1	157.7	-149.8	0	0	122.3
251	S	29.7	Very low	36.2	Very low	96 Å²	96	134.1 Å²	134.1	67%	0.671	71%	0.707	S	S	*	*			trans	72.3	107.3	165.6	-81.7	0	0	0	0	124.9
252	L	34	Very low	36.4	Very low	153 Å²	153	136.2 Å²	136.2	80%	0.801	71%	0.706	S	S	*	*			trans	75.8	100.9	131.6	-58.2	171.6	0	0	0	124.2
253	E	37.7	Very low	36.7	Very low	167 Å²	167	140.8 Å²	140.8	78%	0.78	72%	0.717	S	S	*	*				50.1	163.1	117.3	-74.5	-75.5	95.8	0	0	123.5
254	P	42.5	Very low	36.9	Very low	81 Å²	81	139.7 Å²	139.7	53%	0.526	72%	0.72	S	S	.	*				-144.8	173.6	-52.6	37	-17.8	0	0	0	117.4
255	K	36.7	Very low	36.9	Very low	167 Å²	167	138.9 Å²	138.9	73%	0.726	72%	0.72	S	S	*	*			trans	152.9	131.2	131.2	-86.7	165	179.6	166.9	0	123.1
256	L	35.1	Very low	37.7	Very low	145 Å²	145	141.6 Å²	141.6	76%	0.759	73%	0.732	S	S	*	*			trans	87.4	118.8	133.5	-62.7	166.7	0	0	0	129.2
257	V	37.2	Very low	38.5	Very low	108 Å²	108	140.4 Å²	140.4	66%	0.655	73%	0.727	S	S	*	*				89	151.7	122.9	171.8	0	0	0	0	126.7	K959	V257-K959 WeakPolarHBondContact O-CE 3.01Å; V257-K959 PolarHBondContact O-NZ 2.87Å
258	M	40.6	Very low	38.8	Very low	143 Å²	143	135 Å²	135	70%	0.704	71%	0.706	S	S	*	*			trans	-135.5	-158.5	-168	-50.1	-178.8	-166.3	0	0	114.5
259	S	40.9	Very low	39.6	Very low	90 Å²	90	135.9 Å²	135.9	63%	0.629	70%	0.699	S	S	*	*			cis	-170.3	-175.2	0.4	-159.5	0	0	0	0	114.6
260	K	44.7	Very low	39.5	Very low	185 Å²	185	139.8 Å²	139.8	80%	0.804	71%	0.708	S	S	*	*			trans	88.4	130.4	144.9	-84.6	177.2	178.7	175.5	0	129.2
261	K	49.1	Very low	40.1	Very low	196 Å²	196	140.3 Å²	140.3	85%	0.852	71%	0.707	S	S	*	*				68.7	174.5	122.3	-117.5	-170.1	-178.7	-169.8	0	128.8
262	R	39.2	Very low	40.4	Very low	177 Å²	177	144 Å²	144	67%	0.668	72%	0.719	S	S	*	*			trans	-164.3	176.4	178	-101.6	177.3	168.8	89.4	0.6	115.6	S963	R262-S963 PolarHBondContact NH2-O 3.3Å; R262-S963 PolarHBondContact NH2-OG 3.13Å
263	K	38.8	Very low	40.8	Very low	167 Å²	167	146.2 Å²	146.2	73%	0.726	72%	0.722	S	S	*	*			trans	-164.3	170.2	-179.8	-165.2	-111.1	173.1	-175.8	0	116.6	D265	K263-D265 IonicContact NZ-OD1 2.69Å; K263-D265 PolarHBondContact NZ-OD1 2.81Å; K263-D265 IonicContact NZ-OD2 2.64Å; K263-D265 PolarHBondContact NZ-OD2 2.75Å
264	V	39.5	Very low	40.8	Very low	125 Å²	125	149.7 Å²	149.7	76%	0.758	73%	0.728	S	S	*	*			trans	-155.2	176.3	178.7	74.2	0	0	0	0	117.2
265	D	35.7	Very low	40.5	Very low	124 Å²	124	153.3 Å²	153.3	66%	0.663	74%	0.741	S	S	*	*			trans	-153.8	169.2	-166	-70	-81.8	0	0	0	118.5	K263	K263-D265 IonicContact NZ-OD1 2.69Å; K263-D265 PolarHBondContact NZ-OD1 2.81Å; K263-D265 IonicContact NZ-OD2 2.64Å; K263-D265 PolarHBondContact NZ-OD2 2.75Å
266	V	49.2	Very low	40.6	Very low	144 Å²	144	150 Å²	150	87%	0.873	73%	0.727	S	S	*	*			trans	-151.3	156.1	-165.7	-165.5	0	0	0	0	119.1
267	P	46.1	Very low	40.8	Very low	83 Å²	83	148.4 Å²	148.4	54%	0.539	72%	0.718	S	S	.	*			trans	-132.5	-172.3	177.2	47.1	-33.3	0	0	0	117.7	Q972 A974	P267-Q972 WeakPolarHBondContact CB-O 3.42Å; P267-A974 CarbonylContact C-O 3.57Å
268	D	41	Very low	40.7	Very low	65 Å²	65	145.1 Å²	145.1	35%	0.348	70%	0.7	S	S	.	*			cis	-150.7	153.1	-9.9	179.1	95	0	0	0	114.2	Q972 G973 A974	D268-Q972 HydrophobicContact CB-CB 4.1Å; D268-Q972 WeakPolarHBondContact OD1-CA 3.39Å; D268-Q972 WeakPolarHBondContact OD1-CB 2.89Å; D268-Q972 WeakPolarHBondContact OD1-CG 3.05Å; D268-G973 CarbonylContact C-O 3.15Å; D268-G973 VanDerWaalsContact CA-C 3.45Å; D268-G973 VanDerWaalsContact CA-O 3.25Å; D268-G973 WeakPolarHBondContact CA-O 3.31Å; D268-G973 VanDerWaalsContact CG-O 3.22Å; D268-G973 WeakPolarHBondContact OD1-CA 3.1Å; D268-G973 PolarHBondContact OD1-N 3.05Å; D268-A974 CarbonylContact C-O 3.5Å; D268-A974 WeakPolarHBondContact CA-O 3.38Å; D268-A974 PolarHBondContact N-O 2.94Å
269	K	45	Very low	40.9	Very low	145 Å²	145	141.2 Å²	141.2	63%	0.63	69%	0.687	S	S	*	*			trans	-160.2	179.7	155.8	-66.1	-163.3	-166.5	170.6	0	115	G973 S975	K269-G973 PolarHBondContact N-O 2.91Å; K269-G973 VanDerWaalsContact O-O 3.07Å; K269-S975 WeakPolarHBondContact CB-OG 3.14Å; K269-S975 VanDerWaalsContact CD-OG 3.22Å; K269-S975 WeakPolarHBondContact CD-OG 3.4Å; K269-S975 WeakPolarHBondContact CG-OG 3.33Å
270	Q	37.5	Very low	40.7	Very low	195 Å²	195	143 Å²	143	91%	0.911	69%	0.685	S	S	*	*			trans	-107.9	-163.2	-166.6	-53.9	-170.8	29.7	0	0	119
271	K	40.8	Very low	40.2	Very low	190 Å²	190	135.2 Å²	135.2	83%	0.826	65%	0.651	S	S	*	*			trans	-167.6	150.4	-141.9	172.3	-171.1	-174.5	176.4	0	120
272	L	37.3	Very low	39.4	Very low	175 Å²	175	129.5 Å²	129.5	92%	0.916	63%	0.63	S	S	*	*			trans	-156.6	176.9	164	-102.3	165.7	0	0	0	115.9
273	K	41.3	Very low	38.7	Very low	198 Å²	198	123.6 Å²	123.6	86%	0.861	61%	0.613	S	S	*	*			trans	-159.9	168.5	-165.7	-89.8	-156.5	171.6	-167.8	0	123.4
274	R	38.9	Very low	38.4	Very low	240 Å²	240	117.1 Å²	117.1	91%	0.906	59%	0.586	S	S	*	*			trans	-142	-169.2	-179.7	-123.8	175.6	177.6	-178.2	-1.3	118.3	K860	R274-K860 PolarHBondContact O-NZ 2.9Å
275	I	36.3	Very low	38.1	Very low	157 Å²	157	112.5 Å²	112.5	81%	0.805	56%	0.558	S	S	*	*			trans	-113.1	0	-152.1	-62.2	167.9	0	0	0	119.5	K860	I275-K860 PolarHBondContact O-NZ 3.04Å
276	K	37.6	Very low	37.8	Very low	98 Å²	98	110.4 Å²	110.4	43%	0.426	55%	0.547	S	S	.	.				0	116.7	0	-143.2	165.7	-179.4	-174	0	123	L856 E857 K860	K276-L856 PolarHBondContact NZ-O 2.66Å; K276-L856 VanDerWaalsContact NZ-O 3.1Å; K276-E857 HydrophobicContact CD-CG 4.46Å; K276-K860 HydrophobicContact CB-CD 4.03Å
277	L	39.7	Very low	37.2	Very low	112 Å²	112	110.7 Å²	110.7	59%	0.586	54%	0.544	S	S	*	.				65.8	0	124.9	-46.9	173	0	0	0	134.6	E857	L277-E857 HydrophobicContact CB-CG 4.05Å; L277-E857 VanDerWaalsContact CB-OE1 3.28Å; L277-E857 WeakPolarHBondContact CB-OE1 3.44Å; L277-E857 HydrophobicContact CD1-CG 3.63Å; L277-E857 WeakPolarHBondContact CD1-OE1 3.5Å; L277-E857 HydrophobicContact CG-CG 4.45Å
278	S	36.4	Very low	36.6	Very low	38 Å²	38	111.9 Å²	111.9	27%	0.266	55%	0.549	S	S	.	.				0	0	0	29.5	0	0	0	0	134.9	E857 H858 R861	S278-E857 VanDerWaalsContact CB-OE1 3.23Å; S278-E857 WeakPolarHBondContact CB-OE1 3.4Å; S278-E857 PolarHBondContact OG-OE1 3.04Å; S278-E857 PolarHBondContact OG-OE2 2.98Å; S278-H858 WeakPolarHBondContact CB-CE1 3.28Å; S278-H858 VanDerWaalsContact CB-NE2 3.3Å; S278-H858 WeakPolarHBondContact CB-NE2 3.5Å; S278-H858 PolarHBondContact OG-CE1 3.48Å; S278-H858 PolarHBondContact OG-NE2 2.78Å; S278-R861 PolarHBondContact O-NH1 2.84Å
279	S	42.9	Very low	36.7	Very low	61 Å²	61	113.4 Å²	113.4	43%	0.427	57%	0.565	S	S	.	*				0	0	0	-55.8	0	0	0	0	126.3	D768 F853	S279-D768 VanDerWaalsContact C-OD2 3.24Å; S279-D768 WeakPolarHBondContact CB-OD2 3.5Å; S279-F853 WeakPolarHBondContact O-CE1 3.48Å
280	Q	38.6	Very low	36.7	Very low	127 Å²	127	113 Å²	113	59%	0.593	57%	0.569	S	S	*	*				0	0	0	-47.5	-177.1	151.4	0	0	122.9	H767 D768	Q280-H767 PolarHBondContact O-CE1 3.06Å; Q280-H767 PolarHBondContact O-ND1 2.85Å; Q280-D768 PolarHBondContact N-OD2 2.82Å
281	K	33.3	Very low	37.1	Very low	23 Å²	23	107.2 Å²	107.2	10%	0.1	55%	0.548	C	S	.	.				0	-158.7	0	172.9	163.3	-171.6	179.7	0	120.6	T686 H687 L766 H767 D850	K281-T686 VanDerWaalsContact CE-OG1 3.24Å; K281-T686 WeakPolarHBondContact CE-OG1 3.33Å; K281-T686 PolarHBondContact NZ-O 3.4Å; K281-T686 PolarHBondContact NZ-OG1 2.75Å; K281-H687 PolarHBondContact NZ-O 2.99Å; K281-L766 HydrophobicContact CB-CD1 3.6Å; K281-L766 HydrophobicContact CB-CD2 4.07Å; K281-L766 HydrophobicContact CB-CG 3.42Å; K281-L766 VanDerWaalsContact CB-CG 3.42Å; K281-L766 HydrophobicContact CD-CD1 4.14Å; K281-L766 HydrophobicContact CD-CG 4.34Å; K281-L766 HydrophobicContact CG-CD1 4.06Å; K281-L766 HydrophobicContact CG-CG 4.24Å; K281-H767 WeakPolarHBondContact CA-NE2 3.09Å; K281-H767 HydrophobicContact CD-CB 3.83Å; K281-H767 HydrophobicContact CG-CB 4.35Å; K281-H767 VanDerWaalsContact CG-CD2 3.48Å; K281-H767 WeakPolarHBondContact CG-CD2 3.37Å; K281-D850 VanDerWaalsContact CA-OD1 3.27Å; K281-D850 WeakPolarHBondContact CA-OD1 3.45Å; K281-D850 WeakPolarHBondContact CB-OD1 3.27Å; K281-D850 VanDerWaalsContact O-CB 3.27Å; K281-D850 WeakPolarHBondContact O-CB 3.19Å; K281-D850 VanDerWaalsContact O-CG 3.3Å
282	L	31.5	Very low	37.5	Very low	76 Å²	76	104 Å²	104	40%	0.398	54%	0.544	S	S	.	.			trans	-157.8	-164.3	-172.1	85.7	-168.6	0	0	0	118.9	T686 C831 D850	L282-T686 HydrophobicContact CD2-CG2 3.91Å; L282-T686 WeakPolarHBondContact CD2-OG1 3.19Å; L282-C831 WeakPolarHBondContact O-CB 3.27Å; L282-D850 PolarHBondContact N-OD1 2.77Å; L282-D850 VanDerWaalsContact N-OD1 3.13Å
283	T	25.7	Very low	37.9	Very low	52 Å²	52	103.4 Å²	103.4	32%	0.319	54%	0.541	S	S	.	.			trans	-149	149.3	-159.1	-41.9	0	0	0	0	122	A800 Q829 C831	T283-A800 HydrophobicContact CG2-CB 3.7Å; T283-Q829 PolarHBondContact O-OE1 2.78Å; T283-C831 HydrophobicContact CG2-CB 3.63Å; T283-C831 WeakPolarHBondContact CG2-SG 3.36Å; T283-C831 WeakPolarHBondContact OG1-CB 3.13Å; T283-C831 PolarHBondContact OG1-SG 2.79Å; T283-C831 VanDerWaalsContact OG1-SG 3.36Å
284	E	32.4	Very low	38	Very low	31 Å²	31	100.3 Å²	100.3	15%	0.145	54%	0.538	C	S	.	.			trans	-165.2	0	166.9	-140.2	-159.2	-68.2	0	0	116.5	V799 A800 E802 Q829	E284-V799 CarbonylContact O-C 2.96Å; E284-V799 WeakPolarHBondContact O-CA 3.13Å; E284-A800 CarbonylContact C-O 2.86Å; E284-A800 WeakPolarHBondContact CA-O 3.31Å; E284-A800 PolarHBondContact O-N 3.49Å; E284-E802 HydrophobicContact CG-CG 3.87Å; E284-Q829 CarbonylContact C-O 3.5Å; E284-Q829 WeakPolarHBondContact CA-O 3.32Å; E284-Q829 HydrophobicContact CB-CB 3.42Å; E284-Q829 VanDerWaalsContact CB-CB 3.42Å; E284-Q829 HydrophobicContact CB-CG 3.45Å; E284-Q829 VanDerWaalsContact CB-CG 3.45Å; E284-Q829 WeakPolarHBondContact CB-O 3.4Å; E284-Q829 HydrophobicContact CG-CG 4.28Å; E284-Q829 VanDerWaalsContact N-C 3.33Å; E284-Q829 PolarHBondContact N-O 2.96Å; E284-Q829 WeakPolarHBondContact OE1-CG 3.4Å; E284-Q829 PolarHBondContact OE1-NE2 3.22Å
285	P	32	Very low	38.1	Very low	28 Å²	28	92.9 Å²	92.9	18%	0.182	53%	0.528	C	S	.	.				0	-175.3	0	-3.4	29.3	0	0	0	123.4	V799 N801 E828	P285-V799 VanDerWaalsContact C-CB 3.45Å; P285-V799 VanDerWaalsContact O-CB 3.31Å; P285-V799 WeakPolarHBondContact O-CB 2.98Å; P285-V799 WeakPolarHBondContact O-CG1 3.22Å; P285-N801 WeakPolarHBondContact CA-OD1 3.4Å; P285-N801 HydrophobicContact CB-CB 4.28Å; P285-N801 VanDerWaalsContact CB-OD1 3.3Å; P285-N801 WeakPolarHBondContact CB-OD1 3.49Å; P285-E828 VanDerWaalsContact O-CD 3.29Å; P285-E828 WeakPolarHBondContact O-CG 3.33Å
286	N	31.4	Very low	38.1	Very low	80 Å²	80	91.7 Å²	91.7	43%	0.428	53%	0.528	S	S	.	.			trans	-165.9	-164	170	-156.6	-116.5	0	0	0	120.2	V799 N801 E828	N286-V799 HydrophobicContact CB-CB 3.7Å; N286-V799 HydrophobicContact CB-CG1 3.94Å; N286-V799 HydrophobicContact CB-CG2 3.5Å; N286-N801 PolarHBondContact N-OD1 3.43Å; N286-E828 PolarHBondContact ND2-OE1 3.45Å
287	N	36.1	Very low	38.6	Very low	150 Å²	150	92.3 Å²	92.3	80%	0.802	54%	0.542	S	S	*	.			trans	-149.8	-166	-162.6	-156.7	-3.5	0	0	0	118.9
288	V	33.7	Very low	38.6	Very low	108 Å²	108	92.5 Å²	92.5	66%	0.655	55%	0.55	S	S	*	*			trans	-140	179.9	-163.3	76.2	0	0	0	0	119
289	S	41.6	Very low	38.7	Very low	98 Å²	98	97.1 Å²	97.1	69%	0.685	58%	0.577	S	S	*	*			trans	-159.9	174.6	-173.9	-55.5	0	0	0	0	119.3
290	N	46	Very low	38.4	Very low	135 Å²	135	100.7 Å²	100.7	72%	0.722	60%	0.596	S	S	*	*			trans	-135.8	-168.1	-171.3	-74.2	-15.8	0	0	0	113.2
291	T	46.5	Very low	38.4	Very low	75 Å²	75	102.4 Å²	102.4	46%	0.46	61%	0.609	S	S	.	*			cis	-172	151.6	-47.8	-70	0	0	0	0	111.1	T1046	T291-T1046 HydrophobicContact CG2-CG2 4.23Å; T291-T1046 WeakPolarHBondContact OG1-CG2 3.25Å
292	V	48.6	Very low	39.1	Very low	121 Å²	121	105.7 Å²	105.7	73%	0.733	63%	0.633	S	S	*	*			trans	-152.7	164.5	-168.4	-156.4	0	0	0	0	117.5
293	L	46.2	Very low	39.4	Very low	163 Å²	163	109.1 Å²	109.1	85%	0.853	65%	0.651	S	S	*	*			trans	-154.8	-179.2	176.9	-66.9	-179.4	0	0	0	110.7
294	V	43	Very low	40	Very low	134 Å²	134	112.5 Å²	112.5	81%	0.812	68%	0.677	S	S	*	*			cis	174.9	160.5	-20.2	151	0	0	0	0	107
295	A	40.2	Very low	40.2	Very low	84 Å²	84	116.5 Å²	116.5	69%	0.694	71%	0.708	S	S	*	*			cis	-178.8	157.3	-27.8	0	0	0	0	0	109.4
296	T	36.5	Very low	40.4	Very low	131 Å²	131	119.9 Å²	119.9	80%	0.804	73%	0.733	S	S	*	*			cis	-161.5	-51.8	-14.9	-80.4	0	0	0	0	119.4
297	P	48.6	Very low	40.6	Very low	112 Å²	112	123.3 Å²	123.3	73%	0.727	75%	0.751	S	S	*	*			trans	-118.3	-165.3	-160.3	43.7	-33.9	0	0	0	116.1
298	P	40.2	Very low	40.7	Very low	116 Å²	116	121.3 Å²	121.3	75%	0.753	75%	0.746	S	S	*	*			cis	-139.1	-155.9	-6.1	29.9	-1.8	0	0	0	117.2
299	V	38.1	Very low	40.6	Very low	135 Å²	135	121 Å²	121	82%	0.818	76%	0.755	S	S	*	*			trans	92.3	137.5	156.9	-173.9	0	0	0	0	122.8
300	V	36.9	Very low	40.2	Very low	136 Å²	136	124.1 Å²	124.1	82%	0.824	76%	0.763	S	S	*	*			trans	-159.2	150.1	175.8	-167	0	0	0	0	115
301	N	37.8	Very low	39.8	Very low	162 Å²	162	123.5 Å²	123.5	87%	0.866	77%	0.766	S	S	*	*			trans	-159.8	156.3	148.4	-124.6	14.4	0	0	0	112.1
302	P	47.2	Very low	39.1	Very low	93 Å²	93	125.4 Å²	125.4	60%	0.604	78%	0.783	S	S	*	*			trans	-134.7	-177.3	-150.5	42.5	-25.3	0	0	0	119.3
303	D	38.4	Very low	38.2	Very low	147 Å²	147	124.5 Å²	124.5	79%	0.786	78%	0.782	S	S	*	*				159.3	152.1	119.4	-92.5	-29.3	0	0	0	121.2
304	S	38.9	Very low	37.4	Very low	124 Å²	124	126.7 Å²	126.7	87%	0.867	79%	0.785	S	S	*	*			trans	81.5	149.5	152.1	74.2	0	0	0	0	124
305	S	36.2	Very low	36.9	Very low	114 Å²	114	124.7 Å²	124.7	80%	0.797	78%	0.777	S	S	*	*			trans	-164.3	-180	-169.2	84.3	0	0	0	0	110.8
306	S	36.6	Very low	36.6	Very low	100 Å²	100	129.1 Å²	129.1	70%	0.699	78%	0.783	S	S	*	*			cis	-171.9	-158.8	-5.5	36.6	0	0	0	0	110.4
307	D	36.2	Very low	36.5	Very low	152 Å²	152	129.9 Å²	129.9	81%	0.813	78%	0.777	S	S	*	*			trans	78.4	166.1	164.3	-99.8	-30.8	0	0	0	119.6
308	P	37.9	Very low	35.8	Very low	108 Å²	108	129 Å²	129	70%	0.701	77%	0.771	S	S	*	*			cis	-141.6	-173.7	-18.8	38.9	-19.7	0	0	0	116.9
309	A	30.6	Very low	35.4	Very low	100 Å²	100	132 Å²	132	83%	0.826	77%	0.772	S	S	*	*			trans	91.8	147.3	141	0	0	0	0	0	123.4
310	L	33.5	Very low	35.1	Very low	165 Å²	165	131.4 Å²	131.4	86%	0.864	76%	0.764	S	S	*	*			trans	-107.8	155.9	-176.6	-72.3	162.5	0	0	0	112.2
311	P	37.4	Very low	34.8	Very low	121 Å²	121	134 Å²	134	79%	0.786	76%	0.764	S	S	*	*				-129.2	-165.4	108.4	42.7	-36.4	0	0	0	110.3
312	S	31.3	Very low	34.4	Very low	116 Å²	116	131 Å²	131	81%	0.811	76%	0.756	S	S	*	*			cis	-150.4	-176	6.1	66.7	0	0	0	0	111.4
313	S	31.1	Very low	33.6	Very low	102 Å²	102	132.8 Å²	132.8	71%	0.713	77%	0.766	S	S	*	*			trans	-153.6	157.6	174.4	58.7	0	0	0	0	111.9
314	F	29.7	Very low	33.3	Very low	208 Å²	208	130.9 Å²	130.9	91%	0.912	76%	0.764	S	S	*	*			trans	-160.5	158.6	135.4	-109.8	-70.9	0	0	0	110.9
315	S	32.7	Very low	33.1	Very low	92 Å²	92	130.8 Å²	130.8	64%	0.643	76%	0.76	S	S	*	*			trans	-146.8	173.2	-164.5	52.8	0	0	0	0	111.3
316	E	33.3	Very low	32.9	Very low	178 Å²	178	130 Å²	130	83%	0.832	75%	0.754	S	S	*	*			trans	167.1	137.1	136.6	-88.7	-176.9	133.3	0	0	109
317	E	34	Very low	32.6	Very low	146 Å²	146	132.6 Å²	132.6	68%	0.682	76%	0.76	S	S	*	*			cis	86.1	98.3	45.6	-67.5	-93.3	64.5	0	0	112
318	T	33.4	Very low	32.5	Very low	95 Å²	95	131.5 Å²	131.5	58%	0.583	76%	0.758	S	S	*	*				86.4	134.2	75.5	56.4	0	0	0	0	116.1
319	K	32.9	Very low	32.2	Very low	178 Å²	178	129.6 Å²	129.6	77%	0.774	76%	0.758	S	S	*	*			trans	165.8	105.2	135.2	-88.4	149.2	-166.4	148.1	0	116.1
320	D	31	Very low	32.4	Very low	123 Å²	123	134 Å²	134	66%	0.658	76%	0.759	S	S	*	*				54.5	157.5	111.2	-52	-34	0	0	0	126.6
321	F	30.4	Very low	32.3	Very low	190 Å²	190	131.1 Å²	131.1	83%	0.833	75%	0.748	S	S	*	*			trans	72.3	153.8	162	-57.5	-71.4	0	0	0	119.5
322	S	30.9	Very low	31.9	Very low	99 Å²	99	132.3 Å²	132.3	69%	0.692	75%	0.748	S	S	*	*			cis	-170	170.8	-32.3	-166.3	0	0	0	0	111.9
323	T	29.3	Very low	31.9	Very low	131 Å²	131	131.8 Å²	131.8	80%	0.804	74%	0.744	S	S	*	*			trans	114.6	141.4	149	-45.9	0	0	0	0	119.3
324	S	32.7	Very low	32	Very low	107 Å²	107	131.4 Å²	131.4	75%	0.748	74%	0.738	S	S	*	*			trans	-83.4	-166.3	-175.1	-35.5	0	0	0	0	112.9
325	P	35.1	Very low	32	Very low	122 Å²	122	128.6 Å²	128.6	79%	0.792	73%	0.732	S	S	*	*			cis	-137.8	-139	26.5	40.2	-15.5	0	0	0	113.8
326	S	30.7	Very low	31.9	Very low	96 Å²	96	129.5 Å²	129.5	67%	0.671	74%	0.738	S	S	*	*				-155.1	-177.5	-85.8	66.9	0	0	0	0	114.5
327	L	31.4	Very low	32	Very low	156 Å²	156	129.4 Å²	129.4	82%	0.817	74%	0.743	S	S	*	*			trans	95.1	129.6	144.9	-111	74.4	0	0	0	125.3
328	V	33.7	Very low	32.1	Very low	129 Å²	129	126.6 Å²	126.6	78%	0.782	74%	0.739	S	S	*	*			trans	66.9	132.4	149.5	-158.3	0	0	0	0	126
329	G	32	Very low	32.5	Very low	68 Å²	68	126.8 Å²	126.8	70%	0.701	74%	0.744	S	S	*	*			trans	139.8	94.6	145.2	0	0	0	0	0	115.7
330	K	33	Very low	33	Very low	191 Å²	191	125.7 Å²	125.7	83%	0.83	74%	0.742	S	S	*	*				63.8	131.7	69.5	-74.9	-158.5	177.2	-176.9	0	115.5
331	T	31.6	Very low	33.5	Very low	106 Å²	106	124.1 Å²	124.1	65%	0.65	73%	0.731	S	S	*	*			cis	-168.8	160	-8.9	6.7	0	0	0	0	112.7
332	N	30.7	Very low	34.5	Very low	146 Å²	146	120.4 Å²	120.4	78%	0.781	72%	0.716	S	S	*	*			trans	67.5	144	154.3	-58.3	-6.5	0	0	0	119.7
333	S	30.9	Very low	35.2	Very low	105 Å²	105	119.6 Å²	119.6	73%	0.734	71%	0.707	S	S	*	*			cis	99.3	132.7	23.5	-160.1	0	0	0	0	112.5
334	V	32.1	Very low	35.7	Very low	94 Å²	94	121.1 Å²	121.1	57%	0.57	70%	0.698	S	S	*	*			cis	-128.3	-159.2	21.8	-63.3	0	0	0	0	114.3	E225	E225-V334 HydrophobicContact CG-CG2 4.49Å; E225-V334 WeakPolarHBondContact OE1-CG2 3Å; E225-V334 WeakPolarHBondContact OE2-CG2 3.24Å
335	D	31	Very low	36.7	Very low	148 Å²	148	121.1 Å²	121.1	79%	0.791	69%	0.685	S	S	*	*			trans	-153.4	119.1	169.5	165.9	-156.9	0	0	0	111.2
336	S	29.7	Very low	37.3	Very low	111 Å²	111	120.1 Å²	120.1	78%	0.776	67%	0.673	S	S	*	*			trans	-173.6	107.5	161.2	-86.7	0	0	0	0	115.4
337	L	35.8	Very low	38.2	Very low	177 Å²	177	124 Å²	124	93%	0.927	67%	0.673	S	S	*	*	S	Bend	trans	-177.8	68.2	146	-104.9	165.5	0	0	0	113.5
338	S	35.2	Very low	38.9	Very low	86 Å²	86	121.3 Å²	121.3	60%	0.601	66%	0.658	S	S	*	*	S	Bend	trans	-155.2	-30.4	173.5	-166.3	0	0	0	0	114.6	Q340 E341 Q342	S338-Q340 PolarHBondContact O-N 3.44Å; S338-Q340 VanDerWaalsContact O-N 3.09Å; S338-E341 PolarHBondContact O-N 2.9Å; S338-E341 VanDerWaalsContact O-N 3.15Å; S338-Q342 PolarHBondContact O-N 2.93Å
339	S	41.9	Very low	39.5	Very low	100 Å²	100	122 Å²	122	70%	0.699	65%	0.65	S	S	*	*	H	α-helix	trans	-58	-27.5	-174.3	-162.3	0	0	0	0	114.4	T343	S339-T343 WeakPolarHBondContact O-CB 3.32Å; S339-T343 PolarHBondContact O-N 2.85Å; S339-T343 PolarHBondContact O-OG1 3.41Å
340	Q	43.5	Very low	40.1	Very low	154 Å²	154	122.8 Å²	122.8	72%	0.72	65%	0.65	S	S	*	*	H	α-helix	trans	-75.8	-42	178.9	-155.9	178.5	37.1	0	0	112.4	S338 T343 R344	S338-Q340 PolarHBondContact O-N 3.44Å; S338-Q340 VanDerWaalsContact O-N 3.09Å; Q340-T343 PolarHBondContact O-N 3.36Å; Q340-R344 PolarHBondContact O-N 2.69Å
341	E	42.6	Very low	40.5	Very low	91 Å²	91	120 Å²	120	43%	0.425	64%	0.64	S	S	.	*	H	α-helix	trans	-77.7	-40.5	-172.3	-176.4	55.8	-165.4	0	0	112.1	S338 T343 R344 K345	S338-E341 PolarHBondContact O-N 2.9Å; S338-E341 VanDerWaalsContact O-N 3.15Å; E341-T343 PolarHBondContact O-N 3.1Å; E341-R344 PolarHBondContact O-N 3.26Å; E341-K345 HydrophobicContact CG-CD 4.21Å; E341-K345 WeakPolarHBondContact O-CB 3.36Å; E341-K345 PolarHBondContact O-N 2.68Å; E341-K345 WeakPolarHBondContact OE1-CD 3.2Å; E341-K345 WeakPolarHBondContact OE1-CE 3.35Å; E341-K345 IonicContact OE1-NZ 3.54Å; E341-K345 PolarHBondContact OE1-NZ 2.85Å
342	Q	49.8	Very low	40.6	Very low	112 Å²	112	123 Å²	123	52%	0.523	64%	0.641	S	S	.	*	H	α-helix	trans	-66.6	-26.9	173	-152.2	72.9	-37.3	0	0	111.8	S338 N346	S338-Q342 PolarHBondContact O-N 2.93Å; Q342-N346 WeakPolarHBondContact O-CB 3.46Å; Q342-N346 PolarHBondContact O-N 2.83Å; Q342-N346 PolarHBondContact O-ND2 2.78Å
343	T	46.5	Very low	41.1	Very low	82 Å²	82	122.3 Å²	122.3	50%	0.503	64%	0.641	S	S	.	*	H	α-helix	trans	-77.6	-36.3	174.6	-60.1	0	0	0	0	112	S339 Q340 E341 R347	S339-T343 WeakPolarHBondContact O-CB 3.32Å; S339-T343 PolarHBondContact O-N 2.85Å; S339-T343 PolarHBondContact O-OG1 3.41Å; Q340-T343 PolarHBondContact O-N 3.36Å; E341-T343 PolarHBondContact O-N 3.1Å; T343-R347 WeakPolarHBondContact O-CB 3.06Å; T343-R347 PolarHBondContact O-N 2.89Å; T343-R347 VanDerWaalsContact O-N 3.13Å
344	R	40.2	Very low	41.2	Very low	163 Å²	163	120.1 Å²	120.1	62%	0.615	63%	0.626	S	S	*	*	H	α-helix	trans	-64.6	-47.7	167.7	-71.6	178.8	82.1	141.8	-1.5	111.2	Q340 E341 N346 R347 I348	Q340-R344 PolarHBondContact O-N 2.69Å; E341-R344 PolarHBondContact O-N 3.26Å; R344-N346 PolarHBondContact O-N 3.03Å; R344-R347 PolarHBondContact O-N 3.09Å; R344-I348 WeakPolarHBondContact O-CB 3.32Å; R344-I348 VanDerWaalsContact O-CG1 3.32Å; R344-I348 WeakPolarHBondContact O-CG1 3.46Å; R344-I348 PolarHBondContact O-N 3.06Å
345	K	52.4	Low	41.2	Very low	107 Å²	107	122 Å²	122	47%	0.465	64%	0.637	S	S	.	*	H	α-helix	trans	-66.4	-35.8	-178.2	-81.8	165.8	168.8	147.2	0	114.1	E341 K349	E341-K345 HydrophobicContact CG-CD 4.21Å; E341-K345 WeakPolarHBondContact O-CB 3.36Å; E341-K345 PolarHBondContact O-N 2.68Å; E341-K345 WeakPolarHBondContact OE1-CD 3.2Å; E341-K345 WeakPolarHBondContact OE1-CE 3.35Å; E341-K345 IonicContact OE1-NZ 3.54Å; E341-K345 PolarHBondContact OE1-NZ 2.85Å; K345-K349 WeakPolarHBondContact O-CB 3.28Å; K345-K349 WeakPolarHBondContact O-CG 3.45Å; K345-K349 PolarHBondContact O-N 3.45Å
346	N	49.2	Very low	41.5	Very low	101 Å²	101	121.8 Å²	121.8	54%	0.54	64%	0.641	S	S	.	*	H	α-helix	trans	-74.3	-32.8	172.5	-75	-42.5	0	0	0	112.9	Q342 R344 K349 A350	Q342-N346 WeakPolarHBondContact O-CB 3.46Å; Q342-N346 PolarHBondContact O-N 2.83Å; Q342-N346 PolarHBondContact O-ND2 2.78Å; R344-N346 PolarHBondContact O-N 3.03Å; N346-K349 PolarHBondContact O-N 3.44Å; N346-A350 WeakPolarHBondContact O-CB 3.33Å; N346-A350 PolarHBondContact O-N 3.38Å
347	R	49.4	Very low	42.1	Very low	178 Å²	178	121.2 Å²	121.2	67%	0.672	64%	0.638	S	S	*	*	H	α-helix	trans	-67.3	-40.8	173.4	-168.6	169.1	-175.8	162.1	-2.4	111.5	T343 R344 A350 Q351	T343-R347 WeakPolarHBondContact O-CB 3.06Å; T343-R347 PolarHBondContact O-N 2.89Å; T343-R347 VanDerWaalsContact O-N 3.13Å; R344-R347 PolarHBondContact O-N 3.09Å; R347-A350 PolarHBondContact O-N 3.49Å; R347-Q351 WeakPolarHBondContact O-CG 3.27Å; R347-Q351 PolarHBondContact O-N 2.54Å
348	I	45.3	Very low	42.1	Very low	98 Å²	98	117.9 Å²	117.9	50%	0.503	63%	0.626	S	S	.	*	H	α-helix	trans	-67.9	-43.4	173.2	-67.1	165.5	0	0	0	110.9	R344 A350 Q351 Y352	R344-I348 WeakPolarHBondContact O-CB 3.32Å; R344-I348 VanDerWaalsContact O-CG1 3.32Å; R344-I348 WeakPolarHBondContact O-CG1 3.46Å; R344-I348 PolarHBondContact O-N 3.06Å; I348-A350 PolarHBondContact O-N 3.17Å; I348-Q351 CarbonylContact O-C 3.46Å; I348-Q351 PolarHBondContact O-N 3Å; I348-Y352 WeakPolarHBondContact O-CA 3.4Å; I348-Y352 PolarHBondContact O-N 2.92Å
349	K	47.5	Very low	42.1	Very low	143 Å²	143	121.8 Å²	121.8	62%	0.622	63%	0.633	S	S	*	*	H	α-helix	trans	-66.8	-21.4	174.5	-75.7	-177.7	176.2	-178.6	0	114.1	K345 N346 Q351 V353	K345-K349 WeakPolarHBondContact O-CB 3.28Å; K345-K349 WeakPolarHBondContact O-CG 3.45Å; K345-K349 PolarHBondContact O-N 3.45Å; N346-K349 PolarHBondContact O-N 3.44Å; K349-Q351 VanDerWaalsContact C-N 3.31Å; K349-V353 HydrophobicContact CB-CG2 4.48Å; K349-V353 VanDerWaalsContact O-CG2 3.31Å; K349-V353 WeakPolarHBondContact O-CG2 2.99Å; K349-V353 PolarHBondContact O-N 3.3Å
350	A	44.1	Very low	41.6	Very low	85 Å²	85	126.6 Å²	126.6	70%	0.702	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-6.8	169.5	0	0	0	0	0	114	N346 R347 I348	N346-A350 WeakPolarHBondContact O-CB 3.33Å; N346-A350 PolarHBondContact O-N 3.38Å; R347-A350 PolarHBondContact O-N 3.49Å; I348-A350 PolarHBondContact O-N 3.17Å
351	Q	41.4	Very low	41	Very low	133 Å²	133	128.5 Å²	128.5	62%	0.621	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.3	-12.8	178.7	-63.7	-175.7	-95.4	0	0	113.5	R347 I348 K349	R347-Q351 WeakPolarHBondContact O-CG 3.27Å; R347-Q351 PolarHBondContact O-N 2.54Å; I348-Q351 CarbonylContact O-C 3.46Å; I348-Q351 PolarHBondContact O-N 3Å; K349-Q351 VanDerWaalsContact C-N 3.31Å
352	Y	33.1	Very low	40.7	Very low	170 Å²	170	128.5 Å²	128.5	67%	0.667	65%	0.646	S	S	*	*			trans	-144.3	39.1	-176.3	-94.3	-85.7	0	0	0	113	I348 S354	I348-Y352 WeakPolarHBondContact O-CA 3.4Å; I348-Y352 PolarHBondContact O-N 2.92Å; Y352-S354 PolarHBondContact O-N 3.23Å; Y352-S354 VanDerWaalsContact O-N 3.12Å
353	V	40.9	Very low	40.1	Very low	131 Å²	131	133.2 Å²	133.2	79%	0.794	67%	0.665	S	S	*	*			trans	-80.1	70.8	142.5	173.8	0	0	0	0	106.6	K349	K349-V353 HydrophobicContact CB-CG2 4.48Å; K349-V353 VanDerWaalsContact O-CG2 3.31Å; K349-V353 WeakPolarHBondContact O-CG2 2.99Å; K349-V353 PolarHBondContact O-N 3.3Å
354	S	32.8	Very low	39.3	Very low	58 Å²	58	132.1 Å²	132.1	41%	0.406	67%	0.67	S	S	.	*			trans	-119.8	156.9	179.3	-59.7	0	0	0	0	107.6	Y352	Y352-S354 PolarHBondContact O-N 3.23Å; Y352-S354 VanDerWaalsContact O-N 3.12Å
355	V	33.9	Very low	39.2	Very low	133 Å²	133	133.4 Å²	133.4	81%	0.806	68%	0.68	S	S	*	*			trans	44.5	90.6	162.4	-66.9	0	0	0	0	117.4
356	T	35.6	Very low	38.2	Very low	144 Å²	144	137.6 Å²	137.6	88%	0.883	70%	0.698	S	S	*	*			trans	-138.9	114.2	135.2	-41.9	0	0	0	0	107.8
357	S	42	Very low	37.6	Very low	100 Å²	100	139.3 Å²	139.3	70%	0.699	71%	0.713	S	S	*	*			trans	-77.1	-169.3	171.9	57.7	0	0	0	0	110.2
358	P	37.5	Very low	36.6	Very low	106 Å²	106	142.2 Å²	142.2	69%	0.688	72%	0.724	S	S	*	*				-141.4	149.2	111	40.6	-30.1	0	0	0	114.4
359	F	33.4	Very low	36.1	Very low	168 Å²	168	145.8 Å²	145.8	74%	0.737	74%	0.742	S	S	*	*			trans	65.6	117.2	171.4	-60.1	-74.6	0	0	0	116.5
360	R	33	Very low	35.2	Very low	202 Å²	202	143.8 Å²	143.8	76%	0.762	75%	0.746	S	S	*	*				80.6	138.3	62.9	-75.1	-152.4	-165.7	-165.5	3.1	112
361	Y	29.8	Very low	34.5	Very low	194 Å²	194	145.5 Å²	145.5	76%	0.761	75%	0.753	S	S	*	*			cis	-150.8	165.6	-5.2	-139.5	-136.8	0	0	0	110.2
362	P	37.6	Very low	34.2	Very low	91 Å²	91	148.3 Å²	148.3	59%	0.591	76%	0.763	S	S	*	*			trans	-104.4	152.5	-168.7	38.4	-31.9	0	0	0	114.7
363	F	36.4	Very low	34	Very low	210 Å²	210	147.7 Å²	147.7	92%	0.921	77%	0.766	S	S	*	*			trans	-145.9	148.4	148.2	-69.4	-73.9	0	0	0	109
364	G	29.9	Very low	33.5	Very low	60 Å²	60	144.2 Å²	144.2	62%	0.619	74%	0.741	S	S	*	*			cis	132	59.7	-2.8	0	0	0	0	0	114.6
365	K	37.5	Very low	33.4	Very low	190 Å²	190	148.3 Å²	148.3	83%	0.826	76%	0.757	S	S	*	*			trans	-154.7	129.2	161.5	-91.4	122.6	-173.5	-172.4	0	106.6
366	K	32.1	Very low	33.2	Very low	194 Å²	194	144 Å²	144	84%	0.843	74%	0.74	S	S	*	*				58.1	126.3	85.9	-60	178.5	-177.3	-173.5	0	110.5
367	T	35.6	Very low	32.8	Very low	138 Å²	138	143.9 Å²	143.9	85%	0.847	73%	0.733	S	S	*	*			cis	-143.4	166.9	36.6	-28.1	0	0	0	0	113.7
368	R	28.9	Very low	32.3	Very low	239 Å²	239	145.1 Å²	145.1	90%	0.902	74%	0.737	S	S	*	*			trans	-61.3	143.9	157.5	-61.4	171.3	173.7	172	-4.6	109.8
369	I	34.2	Very low	31.9	Very low	173 Å²	173	145 Å²	145	89%	0.887	74%	0.738	S	S	*	*			trans	-132.8	145.7	135.5	-62.8	-173.4	0	0	0	106.8
370	S	30.5	Very low	31.7	Very low	101 Å²	101	141.1 Å²	141.1	71%	0.706	73%	0.732	S	S	*	*			trans	-104.1	146.3	-177.4	-177.4	0	0	0	0	111
371	S	29.3	Very low	31.7	Very low	120 Å²	120	139.1 Å²	139.1	84%	0.839	74%	0.735	S	S	*	*			trans	-137.4	89.6	161.5	60.9	0	0	0	0	109.8	Q373	S371-Q373 PolarHBondContact O-N 2.97Å
372	K	33.6	Very low	31.9	Very low	193 Å²	193	134 Å²	134	84%	0.839	73%	0.727	S	S	*	*			trans	-67.1	119.7	161.7	-82.9	-170.8	173	-172.2	0	108.7
373	Q	29.9	Very low	31.8	Very low	157 Å²	157	137 Å²	137	73%	0.734	74%	0.738	S	S	*	*				23.7	149.9	113.5	-177.8	169.5	-12.8	0	0	119.6	S371	S371-Q373 PolarHBondContact O-N 2.97Å
374	E	30.7	Very low	31.8	Very low	57 Å²	57	130.4 Å²	130.4	27%	0.266	72%	0.718	S	S	.	*			trans	87.3	96	163	-91.5	165.5	-146.5	0	0	120.4	S609	E374-S609 VanDerWaalsContact OE1-CB 3.3Å; E374-S609 WeakPolarHBondContact OE1-CB 3.29Å; E374-S609 PolarHBondContact OE1-OG 3.37Å; E374-S609 WeakPolarHBondContact OE2-CB 3.13Å; E374-S609 PolarHBondContact OE2-OG 2.81Å
375	I	29.6	Very low	32.2	Very low	145 Å²	145	138.1 Å²	138.1	74%	0.744	73%	0.729	S	S	*	*				44.6	126.6	104.4	-57.1	167	0	0	0	116.6	V612	I375-V612 WeakPolarHBondContact O-CG2 3.23Å
376	G	29.5	Very low	32.2	Very low	43 Å²	43	136.4 Å²	136.4	44%	0.443	73%	0.727	S	S	.	*			trans	-161.2	33.5	-171.8	0	0	0	0	0	119.7
377	N	28.2	Very low	32.5	Very low	140 Å²	140	133.8 Å²	133.8	75%	0.749	72%	0.716	S	S	*	*			trans	65.7	179.8	155.1	-55.9	4.7	0	0	0	119.6
378	V	30.6	Very low	32.6	Very low	127 Å²	127	132 Å²	132	77%	0.77	71%	0.705	S	S	*	*			trans	72.1	81.6	170.2	-165.7	0	0	0	0	112.9
379	S	29.5	Very low	33	Very low	102 Å²	102	127.7 Å²	127.7	71%	0.713	70%	0.695	S	S	*	*				78	163.3	84.1	84.5	0	0	0	0	112.3
380	S	30.4	Very low	33.3	Very low	87 Å²	87	123.8 Å²	123.8	61%	0.608	68%	0.682	S	S	*	*			cis	-169.3	153.9	8.8	11.3	0	0	0	0	109.1
381	I	31.4	Very low	33.6	Very low	161 Å²	161	126.2 Å²	126.2	83%	0.826	69%	0.687	S	S	*	*			trans	68.1	134.3	147.9	-68	166.6	0	0	0	115.3
382	S	33.6	Very low	34	Very low	86 Å²	86	124.4 Å²	124.4	60%	0.601	68%	0.68	S	S	*	*			cis	-164.5	156.2	3.9	41.8	0	0	0	0	113.1
383	D	36	Very low	34.1	Very low	153 Å²	153	122.3 Å²	122.3	82%	0.818	68%	0.677	S	S	*	*			trans	61.7	146.2	138.8	-68	-26.2	0	0	0	123.6
384	S	36.5	Very low	34.5	Very low	72 Å²	72	125.4 Å²	125.4	50%	0.503	68%	0.682	S	S	.	*			cis	-166.4	166	-19.6	63.5	0	0	0	0	112.3
385	R	37.5	Very low	34.6	Very low	223 Å²	223	132.6 Å²	132.6	84%	0.842	71%	0.712	S	S	*	*			trans	70.4	148	159.6	-65.4	160.1	-152.5	-93.4	-2.9	115.9
386	I	39	Very low	35	Very low	154 Å²	154	129.9 Å²	129.9	79%	0.79	72%	0.719	S	S	*	*			cis	-166.3	168.9	-16.5	-150.3	165.8	0	0	0	105.9
387	K	38.1	Very low	35.4	Very low	138 Å²	138	133.2 Å²	133.2	60%	0.6	74%	0.736	S	S	*	*			cis	-149.8	128.6	11	-173.2	-115.5	161.4	-149.1	0	111.6	E389	K387-E389 IonicContact NZ-OE2 2.97Å; K387-E389 PolarHBondContact NZ-OE2 2.78Å
388	V	36.6	Very low	35.9	Very low	102 Å²	102	133.9 Å²	133.9	62%	0.618	74%	0.735	S	S	*	*			trans	8.9	131.9	140.7	178.4	0	0	0	0	117.3
389	E	37.9	Very low	36.3	Very low	148 Å²	148	136.2 Å²	136.2	69%	0.692	73%	0.734	S	S	*	*				-171.8	146	79.4	-147.2	113.6	-143.2	0	0	115.2	K387	K387-E389 IonicContact NZ-OE2 2.97Å; K387-E389 PolarHBondContact NZ-OE2 2.78Å
390	S	40.4	Very low	36.7	Very low	90 Å²	90	136.2 Å²	136.2	63%	0.629	73%	0.734	S	S	*	*			trans	51.7	103.4	144	-68	0	0	0	0	124.8
391	N	37.6	Very low	37.1	Very low	152 Å²	152	137.2 Å²	137.2	81%	0.813	73%	0.729	S	S	*	*				70.2	106.8	114.9	-62.4	-27.2	0	0	0	124.2
392	A	37.3	Very low	37.8	Very low	83 Å²	83	132.4 Å²	132.4	69%	0.686	71%	0.705	S	S	*	*				92.5	122.9	115.8	0	0	0	0	0	123.6
393	I	36.5	Very low	38.4	Very low	149 Å²	149	131.2 Å²	131.2	76%	0.764	69%	0.692	S	S	*	*			trans	75.8	124.4	145	-65.2	166.2	0	0	0	115.8
394	R	37.2	Very low	38.5	Very low	222 Å²	222	127 Å²	127	84%	0.838	67%	0.674	S	S	*	*			cis	-166.5	128.3	33.1	-139	164.3	-143	-169.7	7.2	115.4
395	K	34.2	Very low	38.6	Very low	208 Å²	208	131.6 Å²	131.6	90%	0.904	69%	0.692	S	S	*	*			trans	52.3	132.3	147.3	-66.9	-171.6	171.6	-172.2	0	126.8
396	G	36.7	Very low	38.7	Very low	87 Å²	87	127.5 Å²	127.5	90%	0.897	69%	0.692	S	S	*	*			trans	158.5	128.2	142.5	0	0	0	0	0	120.4
397	S	39	Very low	38.9	Very low	113 Å²	113	125.6 Å²	125.6	79%	0.79	69%	0.692	S	S	*	*			trans	-119.2	156.1	-165.4	53.8	0	0	0	0	116.9
398	E	37.2	Very low	39	Very low	155 Å²	155	124.4 Å²	124.4	72%	0.724	70%	0.702	S	S	*	*			cis	82.6	145.9	47.2	-71.4	-156.4	124.9	0	0	117.5
399	K	39.6	Very low	39.7	Very low	176 Å²	176	129.6 Å²	129.6	77%	0.765	72%	0.716	S	S	*	*			cis	-157.1	-159.7	-4.5	-130.8	172	-174.6	147	0	114.3
400	S	37.4	Very low	39.7	Very low	102 Å²	102	128.6 Å²	128.6	71%	0.713	72%	0.72	S	S	*	*			trans	-131.9	160.4	-157.9	43.5	0	0	0	0	122.2
401	E	39.5	Very low	39.9	Very low	108 Å²	108	131.8 Å²	131.8	51%	0.505	73%	0.73	S	S	.	*			trans	57.5	97.9	145.6	-57.6	-122.6	129.1	0	0	133.7	I125 L126	I125-E401 HydrophobicContact CG2-CB 4.27Å; I125-E401 HydrophobicContact CG2-CG 3.96Å; L126-E401 PolarHBondContact N-OE1 3.44Å
402	I	45.7	Very low	40	Very low	59 Å²	59	132.6 Å²	132.6	30%	0.303	73%	0.733	S	S	.	*				55	133	118.1	42.9	166.2	0	0	0	136.4	I125 L126 P128	I125-I402 HydrophobicContact CB-CG2 3.97Å; I125-I402 HydrophobicContact CG2-CB 3.91Å; I125-I402 HydrophobicContact CG2-CD1 3.73Å; I125-I402 HydrophobicContact CG2-CG1 3.51Å; I125-I402 HydrophobicContact CG2-CG2 3.31Å; L126-I402 WeakPolarHBondContact O-CD1 3.43Å; P128-I402 HydrophobicContact CB-CD1 4.09Å; P128-I402 HydrophobicContact CG-CB 4.26Å; P128-I402 HydrophobicContact CG-CD1 3.73Å; P128-I402 HydrophobicContact CG-CG1 3.81Å; P128-I402 WeakPolarHBondContact CG-O 3.42Å
403	N	46.9	Very low	40.1	Very low	62 Å²	62	131.9 Å²	131.9	33%	0.332	73%	0.734	S	S	.	*				86	0	122.5	-173.5	74.2	0	0	0	130.6	R127	R127-N403 HydrophobicContact CG-CB 4.41Å; R127-N403 PolarHBondContact NE-OD1 2.98Å
404	S	37.6	Very low	40.1	Very low	65 Å²	65	131.2 Å²	131.2	46%	0.455	74%	0.737	S	S	.	*				0	148.9	0	-63	0	0	0	0	125.8
405	L	39.6	Very low	40	Very low	168 Å²	168	131.1 Å²	131.1	88%	0.88	74%	0.736	S	S	*	*			trans	77.8	174	156.5	-65.8	171.3	0	0	0	123.3
406	T	39.5	Very low	39.9	Very low	137 Å²	137	129.9 Å²	129.9	84%	0.84	73%	0.731	S	S	*	*			cis	-150.3	-167.6	18.4	63.2	0	0	0	0	116.7
407	S	43	Very low	39.8	Very low	113 Å²	113	133 Å²	133	79%	0.79	73%	0.727	S	S	*	*			trans	-174.9	160.5	178.9	-164.6	0	0	0	0	121.1
408	S	40.2	Very low	39.2	Very low	114 Å²	114	132.2 Å²	132.2	80%	0.797	72%	0.722	S	S	*	*			trans	143.7	133.6	135.9	-64	0	0	0	0	122.7
409	K	51.3	Low	38.7	Very low	211 Å²	211	134.8 Å²	134.8	92%	0.917	73%	0.725	S	S	*	*			trans	170.9	172.8	137.8	-100.7	179.1	179.9	178	0	116.5
410	T	38.4	Very low	38.2	Very low	127 Å²	127	137 Å²	137	78%	0.779	73%	0.73	S	S	*	*			trans	-150.3	160.1	-162.6	54.5	0	0	0	0	117.2
411	N	42.7	Very low	37.8	Very low	157 Å²	157	143.4 Å²	143.4	84%	0.84	74%	0.738	S	S	*	*			trans	-168	-180	148.6	-103.4	-23	0	0	0	115.8
412	L	40.8	Very low	37.2	Very low	168 Å²	168	144 Å²	144	88%	0.88	75%	0.749	S	S	*	*			trans	-96.3	160	-154.3	-56.2	90.6	0	0	0	118.6
413	G	39.9	Very low	36.7	Very low	68 Å²	68	151.1 Å²	151.1	70%	0.701	77%	0.772	S	S	*	*			trans	166.5	127.9	152.6	0	0	0	0	0	119.9
414	V	35.8	Very low	35.9	Very low	136 Å²	136	154.1 Å²	154.1	82%	0.824	79%	0.793	S	S	*	*			trans	77.3	131.7	140.2	-175.1	0	0	0	0	122.8
415	R	35.1	Very low	35.8	Very low	220 Å²	220	157.8 Å²	157.8	83%	0.83	80%	0.803	S	S	*	*			trans	76.1	123.8	154.2	-86.2	170.3	176.8	177.9	-0.3	124
416	K	31.2	Very low	35.5	Very low	181 Å²	181	157.1 Å²	157.1	79%	0.787	80%	0.8	S	S	*	*			trans	80.4	152.4	142.8	-68.4	-174.7	177	-172.5	0	121
417	N	34.7	Very low	35.1	Very low	152 Å²	152	157.8 Å²	157.8	81%	0.813	80%	0.798	S	S	*	*			trans	69.8	117.9	177.9	-57.7	-9.7	0	0	0	115
418	S	27.8	Very low	35.6	Very low	97 Å²	97	157.5 Å²	157.5	68%	0.678	79%	0.794	S	S	*	*				69.5	113.4	56	-168	0	0	0	0	111.6
419	R	26.7	Very low	35.1	Very low	210 Å²	210	159.7 Å²	159.7	79%	0.792	80%	0.795	S	S	*	*			cis	-138.6	-147.3	7.1	-126.3	179.8	-68.7	-180	-1.1	109.4
420	Y	27.7	Very low	34	Very low	221 Å²	221	154 Å²	154	87%	0.867	78%	0.783	S	S	*	*			trans	80.9	94.3	167.8	-43.7	-71.9	0	0	0	117.7
421	R	30.1	Very low	33.6	Very low	237 Å²	237	153.6 Å²	153.6	89%	0.894	78%	0.779	S	S	*	*			trans	-156.9	153.6	170.6	-90.3	-161.6	174.9	-171.7	-1.3	106.3
422	T	26.8	Very low	32.8	Very low	120 Å²	120	151.4 Å²	151.4	74%	0.736	77%	0.772	S	S	*	*			cis	-152.1	165.2	-4.3	-3.7	0	0	0	0	111.4
423	R	35.1	Very low	32.3	Very low	209 Å²	209	148.2 Å²	148.2	79%	0.789	76%	0.764	S	S	*	*			trans	-36.4	137.3	157.9	158.7	-170.9	172.1	-179.8	-0.4	115.3
424	T	30.3	Very low	31.9	Very low	126 Å²	126	151.7 Å²	151.7	77%	0.773	77%	0.766	S	S	*	*			trans	-169.4	105	133.4	-78.1	0	0	0	0	105.4
425	Q	36	Very low	31.7	Very low	142 Å²	142	149.7 Å²	149.7	66%	0.664	76%	0.759	S	S	*	*				55.2	105.7	87.8	-72.6	-71.4	79.7	0	0	114.9
426	L	32.2	Very low	31.8	Very low	153 Å²	153	147.3 Å²	147.3	80%	0.801	76%	0.761	S	S	*	*				172.2	119.4	122.6	-92.5	166.6	0	0	0	113.6
427	N	31.9	Very low	31.8	Very low	151 Å²	151	141.8 Å²	141.8	81%	0.807	76%	0.756	S	S	*	*			trans	59.9	163.9	144.1	-79.3	19.9	0	0	0	123.3
428	P	52	Low	32	Very low	107 Å²	107	140.4 Å²	140.4	70%	0.695	76%	0.755	S	S	*	*			trans	-129.1	-150.3	-147.2	45.3	-28.7	0	0	0	114.9
429	L	30.3	Very low	32.4	Very low	160 Å²	160	140.6 Å²	140.6	84%	0.838	76%	0.756	S	S	*	*			trans	83.6	150.8	179.9	-58.3	163.3	0	0	0	114.6
430	S	28.6	Very low	32.4	Very low	93 Å²	93	136.7 Å²	136.7	65%	0.65	76%	0.76	S	S	*	*			cis	-172.3	-169.2	-26.8	51.5	0	0	0	0	108.9
431	V	29.6	Very low	32.6	Very low	117 Å²	117	131.1 Å²	131.1	71%	0.709	75%	0.753	S	S	*	*			trans	68.9	96.4	157.8	168.1	0	0	0	0	115.4
432	T	27.2	Very low	32.9	Very low	112 Å²	112	124.5 Å²	124.5	69%	0.687	74%	0.739	S	S	*	*				66.3	107.2	82.3	60.1	0	0	0	0	113.7
433	S	30.3	Very low	33.3	Very low	101 Å²	101	128.8 Å²	128.8	71%	0.706	75%	0.747	S	S	*	*				94	173.5	99	-55.6	0	0	0	0	110.6
434	D	31	Very low	33.2	Very low	140 Å²	140	125.6 Å²	125.6	75%	0.749	75%	0.746	S	S	*	*			cis	-139.4	166	1.2	-117.3	-46.9	0	0	0	109.2
435	S	32	Very low	33.4	Very low	95 Å²	95	126.4 Å²	126.4	66%	0.664	75%	0.745	S	S	*	*				54.2	147.7	104.5	-138.3	0	0	0	0	115.6
436	L	36.7	Very low	33.2	Very low	170 Å²	170	127.6 Å²	127.6	89%	0.89	75%	0.75	S	S	*	*			cis	-132.1	176.1	19.4	-72.4	152.1	0	0	0	109.1
437	G	31.1	Very low	33.2	Very low	65 Å²	65	127.1 Å²	127.1	67%	0.67	75%	0.748	S	S	*	*			cis	144.5	141.1	3.6	0	0	0	0	0	108.5
438	P	39.2	Very low	33.2	Very low	123 Å²	123	128.9 Å²	128.9	80%	0.799	74%	0.744	S	S	*	*			trans	-125.3	175.4	-151.5	42.8	-30.2	0	0	0	116.3
439	S	34.8	Very low	32.4	Very low	100 Å²	100	129.8 Å²	129.8	70%	0.699	75%	0.753	S	S	*	*			trans	68.5	125.9	143.5	-170.9	0	0	0	0	119.5
440	C	28.6	Very low	32.6	Very low	129 Å²	129	129 Å²	129	87%	0.872	75%	0.745	S	S	*	*				-168.6	164.5	101.6	-106.4	0	0	0	0	115.3
441	S	31.9	Very low	33	Very low	103 Å²	103	130.7 Å²	130.7	72%	0.72	75%	0.751	S	S	*	*			trans	-74.9	140.1	-165.7	-177.3	0	0	0	0	116.2
442	V	35.4	Very low	33.3	Very low	99 Å²	99	132.1 Å²	132.1	60%	0.6	76%	0.755	S	S	*	*			trans	6.3	140.1	130.4	-170.2	0	0	0	0	118.3	D444	V442-D444 WeakPolarHBondContact CG1-OD2 3.4Å
443	K	34.3	Very low	33.6	Very low	210 Å²	210	133.2 Å²	133.2	91%	0.913	75%	0.752	S	S	*	*			trans	-129.4	126.4	140.6	-74.2	-171.9	175.1	-173.5	0	109.5
444	D	33.4	Very low	33.7	Very low	142 Å²	142	135 Å²	135	76%	0.759	75%	0.752	S	S	*	*			trans	-92.6	152.3	163.7	-55.5	-70.4	0	0	0	109.6	V442	V442-D444 WeakPolarHBondContact CG1-OD2 3.4Å
445	L	34.7	Very low	34.1	Very low	143 Å²	143	129.7 Å²	129.7	75%	0.749	72%	0.724	S	S	*	*			trans	-162.6	124.4	158.4	-151.3	67.3	0	0	0	111.3
446	E	33.1	Very low	34.4	Very low	167 Å²	167	128.3 Å²	128.3	78%	0.78	71%	0.712	S	S	*	*			trans	46.4	151.7	139.5	-64.8	166.7	176.6	0	0	121.5
447	D	32	Very low	34.4	Very low	142 Å²	142	123.1 Å²	123.1	76%	0.759	69%	0.69	S	S	*	*			cis	-171.1	177.5	-17.3	179.4	34.4	0	0	0	107.9
448	R	30.6	Very low	34.7	Very low	188 Å²	188	126.5 Å²	126.5	71%	0.709	69%	0.693	S	S	*	*			trans	73.4	119.3	163.6	-50.1	-176	68.9	156.4	0.9	118.6	E450	R448-E450 IonicContact CZ-OE2 3.87Å; R448-E450 IonicContact NH2-OE2 2.85Å; R448-E450 PolarHBondContact NH2-OE2 2.89Å
449	S	36.4	Very low	34.7	Very low	127 Å²	127	125 Å²	125	89%	0.888	69%	0.685	S	S	*	*				-151.6	128.2	126.3	65.4	0	0	0	0	111.4
450	E	34.4	Very low	35	Very low	143 Å²	143	126.5 Å²	126.5	67%	0.668	69%	0.685	S	S	*	*			trans	-107.1	148.1	-168.6	163.4	-178.9	-170.8	0	0	109.7	R448	R448-E450 IonicContact CZ-OE2 3.87Å; R448-E450 IonicContact NH2-OE2 2.85Å; R448-E450 PolarHBondContact NH2-OE2 2.89Å
451	V	36.2	Very low	35.6	Very low	128 Å²	128	127.5 Å²	127.5	78%	0.776	68%	0.682	S	S	*	*			trans	173	150.4	164	-84.9	0	0	0	0	109.7
452	D	35.6	Very low	36	Very low	148 Å²	148	126 Å²	126	79%	0.791	68%	0.683	S	S	*	*			cis	-160.3	-178.2	-14.4	-104	-20.7	0	0	0	111.6
453	E	33.9	Very low	36.1	Very low	134 Å²	134	128.3 Å²	128.3	63%	0.626	69%	0.691	S	S	*	*			trans	-77.2	-169.1	-160.6	-41.9	177.5	116.5	0	0	119	L455	E453-L455 HydrophobicContact CB-CD1 4.06Å; E453-L455 HydrophobicContact CG-CD1 4.41Å; E453-L455 WeakPolarHBondContact OE2-CD1 3.24Å
454	I	32.8	Very low	36.2	Very low	139 Å²	139	127.3 Å²	127.3	71%	0.713	69%	0.687	S	S	*	*				-164	154.4	72.8	-89.8	-178.4	0	0	0	118.3
455	L	39.8	Very low	36.6	Very low	29 Å²	29	125.5 Å²	125.5	15%	0.152	68%	0.683	C	S	.	*			trans	-59	-164.2	176.6	-53.5	23.2	0	0	0	116.9	E453 K1109 D1110 E1112	E453-L455 HydrophobicContact CB-CD1 4.06Å; E453-L455 HydrophobicContact CG-CD1 4.41Å; E453-L455 WeakPolarHBondContact OE2-CD1 3.24Å; L455-K1109 VanDerWaalsContact O-CE 3.25Å; L455-K1109 WeakPolarHBondContact O-CE 3.27Å; L455-K1109 WeakPolarHBondContact O-CG 3.21Å; L455-D1110 WeakPolarHBondContact CA-O 3.12Å; L455-E1112 HydrophobicContact CD2-CG 3.47Å; L455-E1112 VanDerWaalsContact CD2-CG 3.47Å; L455-E1112 HydrophobicContact CG-CG 3.84Å
456	P	37.6	Very low	36.7	Very low	65 Å²	65	127 Å²	127	42%	0.422	69%	0.687	S	S	.	*			cis	-132	170.4	-22.2	14.5	10.9	0	0	0	116.4	K1109 T1111	P456-K1109 WeakPolarHBondContact O-CD 3.24Å; P456-K1109 VanDerWaalsContact O-CE 3.28Å; P456-K1109 WeakPolarHBondContact O-CE 3.49Å; P456-K1109 PolarHBondContact O-NZ 3.17Å; P456-T1111 WeakPolarHBondContact CA-OG1 3.18Å; P456-T1111 WeakPolarHBondContact CB-OG1 3.24Å
457	S	37	Very low	36.8	Very low	62 Å²	62	127.3 Å²	127.3	43%	0.434	69%	0.686	S	S	.	*			cis	-153.6	-167.4	-7.4	-69.5	0	0	0	0	107.1	D1110 T1111	S457-D1110 WeakPolarHBondContact CA-OD2 3.32Å; S457-D1110 PolarHBondContact N-OD1 3.02Å; S457-D1110 VanDerWaalsContact N-OD1 3.11Å; S457-T1111 VanDerWaalsContact CA-OG1 3.25Å; S457-T1111 WeakPolarHBondContact CA-OG1 3.23Å; S457-T1111 WeakPolarHBondContact CB-OG1 3.3Å; S457-T1111 WeakPolarHBondContact OG-CG2 3.1Å; S457-T1111 PolarHBondContact OG-OG1 3.45Å
458	D	38.2	Very low	37.1	Very low	135 Å²	135	126.2 Å²	126.2	72%	0.722	68%	0.676	S	S	*	*			cis	-175.5	175.1	26.9	-168.9	22.6	0	0	0	113.5
459	S	38.9	Very low	37.4	Very low	91 Å²	91	122.8 Å²	122.8	64%	0.636	67%	0.672	S	S	*	*			trans	80.8	135.7	143	151.5	0	0	0	0	123.1
460	L	41.4	Very low	37.5	Very low	132 Å²	132	123.6 Å²	123.6	69%	0.691	66%	0.664	S	S	*	*			cis	-167.9	156.3	-7.2	-102.2	175.9	0	0	0	112.6
461	D	40.9	Very low	37.9	Very low	150 Å²	150	120.1 Å²	120.1	80%	0.802	65%	0.654	S	S	*	*			trans	49	148.3	153.8	-54.4	-30.3	0	0	0	124.2
462	G	39.6	Very low	37.8	Very low	72 Å²	72	120.1 Å²	120.1	74%	0.742	65%	0.65	S	S	*	*			cis	174.7	154.7	-6.2	0	0	0	0	0	115.9
463	D	38.5	Very low	37.6	Very low	147 Å²	147	116.9 Å²	116.9	79%	0.786	64%	0.639	S	S	*	*			trans	54.3	113.7	160.7	-70.8	-15	0	0	0	126.5
464	F	34.7	Very low	37.7	Very low	189 Å²	189	118.1 Å²	118.1	83%	0.829	65%	0.648	S	S	*	*				40.1	167	117.9	-75	-60.3	0	0	0	124.7
465	P	41.7	Very low	37.9	Very low	104 Å²	104	116.3 Å²	116.3	68%	0.675	65%	0.648	S	S	*	*			cis	-137.9	-163.4	-27.4	37.1	-16.4	0	0	0	114.9
466	Q	37.6	Very low	37.5	Very low	175 Å²	175	120.9 Å²	120.9	82%	0.818	68%	0.679	S	S	*	*			trans	103.3	118.6	167.5	-59.4	-165.8	10.6	0	0	115.7
467	K	35.7	Very low	37	Very low	174 Å²	174	128.3 Å²	128.3	76%	0.757	70%	0.699	S	S	*	*				74	137.2	68.5	-85.6	-166.4	166.1	-149.3	0	112.6
468	E	37.3	Very low	36.5	Very low	119 Å²	119	132.8 Å²	132.8	56%	0.556	72%	0.717	S	S	*	*			cis	-163.6	169.9	10.9	-143.9	172.2	-130.4	0	0	112.6
469	N	37	Very low	36.1	Very low	116 Å²	116	129.3 Å²	129.3	62%	0.62	70%	0.703	S	S	*	*			trans	66	119.6	160.7	-55	-45.5	0	0	0	118.8
470	I	39.3	Very low	36.1	Very low	143 Å²	143	128.2 Å²	128.2	73%	0.733	70%	0.696	S	S	*	*			cis	69.2	134	30.6	-48.1	178.4	0	0	0	112.3
471	P	41.3	Very low	35.4	Very low	70 Å²	70	126.9 Å²	126.9	46%	0.455	70%	0.695	S	S	.	*			cis	-132.7	-166.8	-18.3	34.1	-13.4	0	0	0	114.6
472	N	36.1	Very low	34.5	Very low	128 Å²	128	124 Å²	124	68%	0.684	69%	0.687	S	S	*	*			trans	107.3	137.9	144.4	-69.7	-19.4	0	0	0	119.3
473	S	31	Very low	34	Very low	81 Å²	81	129.2 Å²	129.2	57%	0.566	69%	0.689	S	S	*	*			cis	-179.6	153.8	-23.5	49.9	0	0	0	0	108.6
474	I	35.1	Very low	33.5	Very low	159 Å²	159	128.7 Å²	128.7	82%	0.815	68%	0.682	S	S	*	*			trans	66.3	111.4	155.4	-65.5	156.5	0	0	0	116.2
475	S	38	Very low	33.1	Very low	102 Å²	102	126.1 Å²	126.1	71%	0.713	67%	0.67	S	S	*	*			trans	-65.6	165.9	164.7	-40.6	0	0	0	0	112.2
476	P	30.1	Very low	32.5	Very low	124 Å²	124	130.6 Å²	130.6	81%	0.805	68%	0.675	S	S	*	*				-128.1	133.6	103.8	38.1	-32.4	0	0	0	109.4
477	R	28.3	Very low	32	Very low	222 Å²	222	127.4 Å²	127.4	84%	0.838	67%	0.672	S	S	*	*				42.7	115.5	68.3	-112.7	-168.1	-172.7	-160.5	3.6	114.6
478	L	26.3	Very low	32	Very low	155 Å²	155	125.3 Å²	125.3	81%	0.812	67%	0.674	S	S	*	*			trans	82.8	137.4	162	-58.1	165.7	0	0	0	119.1
479	S	28.6	Very low	31.7	Very low	62 Å²	62	125 Å²	125	43%	0.434	69%	0.685	S	S	.	*			trans	62.1	127.2	151.8	47.2	0	0	0	0	121.1
480	S	40.3	Very low	31.8	Very low	69 Å²	69	125.9 Å²	125.9	48%	0.483	69%	0.694	S	S	.	*			trans	59	175.1	161.1	35.8	0	0	0	0	114.9	D1240	S480-D1240 WeakPolarHBondContact CB-OD2 3.47Å; S480-D1240 PolarHBondContact OG-OD2 3.24Å
481	P	26.8	Very low	31.3	Very low	104 Å²	104	127 Å²	127	68%	0.675	70%	0.697	S	S	*	*			cis	-69.4	161.1	14.1	-20.1	37.5	0	0	0	114.5
482	S	22.2	Very low	31	Very low	89 Å²	89	130.4 Å²	130.4	62%	0.622	71%	0.71	S	S	*	*				60.9	117.2	56.9	139.5	0	0	0	0	112.3
483	K	28	Very low	30.5	Very low	182 Å²	182	131 Å²	131	79%	0.791	72%	0.719	S	S	*	*				49.9	120.8	114	-74.2	176.5	-178.9	176.8	0	113.3
484	E	27.4	Very low	30.2	Very low	136 Å²	136	132.7 Å²	132.7	64%	0.636	73%	0.729	S	S	*	*				178.3	167.2	59.1	-122.7	169.1	172.7	0	0	112.4
485	K	27.8	Very low	29.9	Very low	135 Å²	135	134.1 Å²	134.1	59%	0.587	73%	0.729	S	S	*	*			trans	57.4	128.6	145.5	-70.2	160.5	-169.7	157	0	119
486	Y	27.5	Very low	29.4	Very low	197 Å²	197	136 Å²	136	77%	0.773	74%	0.737	S	S	*	*			cis	-155.6	154	7.5	-86.6	-76.2	0	0	0	110.3
487	S	27.3	Very low	29.2	Very low	108 Å²	108	134.9 Å²	134.9	76%	0.755	73%	0.732	S	S	*	*			trans	53.8	145.5	153.6	-48.3	0	0	0	0	119.7
488	T	35.8	Very low	29.2	Very low	130 Å²	130	130.1 Å²	130.1	80%	0.798	73%	0.728	S	S	*	*			cis	-165.6	131.4	36.5	-46.7	0	0	0	0	111.7
489	S	32.4	Very low	29.1	Very low	113 Å²	113	132.6 Å²	132.6	79%	0.79	73%	0.727	S	S	*	*			trans	58.7	132.8	164.8	-138.4	0	0	0	0	118.5
490	V	37.9	Very low	29	Very low	134 Å²	134	132.7 Å²	132.7	81%	0.812	74%	0.739	S	S	*	*			cis	-130	163	15.1	178.9	0	0	0	0	110.1
491	Q	30.3	Very low	28.5	Very low	168 Å²	168	136.8 Å²	136.8	79%	0.785	75%	0.75	S	S	*	*			trans	-79.4	171	-179.1	-47.7	-173.8	9.8	0	0	112.2
492	L	33.5	Very low	29	Very low	140 Å²	140	137.9 Å²	137.9	73%	0.733	75%	0.75	S	S	*	*			cis	-154.4	140.4	49	-75.7	163.4	0	0	0	113.5
493	T	25.9	Very low	29.9	Very low	142 Å²	142	138.9 Å²	138.9	87%	0.871	76%	0.757	S	S	*	*			trans	-141.3	117.8	161.2	51.9	0	0	0	0	109.6
494	C	25.2	Very low	30.5	Very low	115 Å²	115	134.1 Å²	134.1	78%	0.777	75%	0.752	S	S	*	*			trans	-161.8	139.9	173.8	42.6	0	0	0	0	113.4
495	K	28.6	Very low	31.3	Very low	190 Å²	190	132.5 Å²	132.5	83%	0.826	76%	0.755	S	S	*	*			trans	-100.9	157.6	156.8	-74.9	-178.5	175.6	178.8	0	108.2
496	T	27.9	Very low	31.9	Very low	141 Å²	141	133.3 Å²	133.3	87%	0.865	77%	0.766	S	S	*	*			trans	64.4	154.8	155.8	45.2	0	0	0	0	119.7
497	S	25.1	Very low	32.8	Very low	101 Å²	101	130.5 Å²	130.5	71%	0.706	76%	0.764	S	S	*	*			trans	71.7	104.5	173.2	-157.2	0	0	0	0	115.1
498	T	28.8	Very low	33.3	Very low	122 Å²	122	133.1 Å²	133.1	75%	0.748	76%	0.762	S	S	*	*				88.3	153.6	61.8	-62.8	0	0	0	0	112.2
499	Y	24.5	Very low	33.7	Very low	206 Å²	206	130.2 Å²	130.2	81%	0.808	76%	0.758	S	S	*	*			trans	71.3	124.2	-154	-60.4	-88.1	0	0	0	111.6
500	G	26.1	Very low	34	Very low	65 Å²	65	129.8 Å²	129.8	67%	0.67	75%	0.751	S	S	*	*			cis	116.2	132.1	20.5	0	0	0	0	0	107.1
501	H	30.2	Very low	34.8	Very low	155 Å²	155	126.6 Å²	126.6	72%	0.718	73%	0.733	S	S	*	*			cis	-159.3	162.1	29.7	-80	-84.4	0	0	0	107.4
502	N	36.7	Very low	35.2	Very low	126 Å²	126	125.4 Å²	125.4	67%	0.674	73%	0.729	S	S	*	*			cis	-150.8	149.8	-3.6	-92.4	-21.3	0	0	0	105.9
503	S	41	Very low	35.6	Very low	110 Å²	110	122.1 Å²	122.1	77%	0.769	73%	0.729	S	S	*	*				50.8	133.4	91.9	-31.2	0	0	0	0	114.6
504	A	41.8	Very low	36.3	Very low	83 Å²	83	123.3 Å²	123.3	69%	0.686	73%	0.725	S	S	*	*			cis	-156.4	155.6	10	0	0	0	0	0	111.2
505	S	42.6	Very low	37	Very low	102 Å²	102	122.5 Å²	122.5	71%	0.713	72%	0.716	S	S	*	*				63.7	146.9	98.1	90.2	0	0	0	0	117
506	N	42.1	Very low	37.6	Very low	151 Å²	151	117.7 Å²	117.7	81%	0.807	70%	0.7	S	S	*	*			cis	-156.1	-160.1	10.3	-128.9	-10.1	0	0	0	114.3
507	N	45.3	Very low	38	Very low	138 Å²	138	117.2 Å²	117.2	74%	0.738	69%	0.686	S	S	*	*			trans	-136.2	-168.1	-133.6	-128.5	-15.3	0	0	0	121.1
508	F	38.4	Very low	38.7	Very low	163 Å²	163	115.4 Å²	115.4	72%	0.715	67%	0.673	S	S	*	*			trans	91.2	155.4	169.5	-55.2	-75	0	0	0	119	T1206	F508-T1206 WeakPolarHBondContact CE1-O 3.33Å
509	G	42.7	Very low	39.6	Very low	69 Å²	69	115.5 Å²	115.5	71%	0.711	68%	0.676	S	S	*	*			cis	-154.8	-153.4	2.2	0	0	0	0	0	110.9
510	V	39.3	Very low	40.4	Very low	104 Å²	104	113.2 Å²	113.2	63%	0.63	67%	0.673	S	S	*	*			cis	-169.1	161.6	-2	123.5	0	0	0	0	110.1	P655 T656	V510-P655 WeakPolarHBondContact O-CD 3.28Å; V510-P655 WeakPolarHBondContact O-CG 3.49Å; V510-T656 WeakPolarHBondContact O-CG2 3.2Å; V510-T656 PolarHBondContact O-N 2.74Å
511	P	54.5	Low	41	Very low	68 Å²	68	114 Å²	114	44%	0.442	67%	0.668	S	S	.	*			trans	-144.3	164.5	-145.6	44.2	-27.9	0	0	0	126.6	T654 P655 T656	P511-T654 CarbonylContact C-O 3.25Å; P511-T654 CarbonylContact O-C 3.15Å; P511-T654 VanDerWaalsContact O-O 3.11Å; P511-P655 CarbonylContact C-O 3.58Å; P511-T656 WeakPolarHBondContact CA-OG1 3.23Å; P511-T656 HydrophobicContact CB-CG2 3.54Å; P511-T656 WeakPolarHBondContact CB-OG1 3.3Å
512	M	38.9	Very low	41.5	Very low	143 Å²	143	116.5 Å²	116.5	70%	0.704	67%	0.671	S	S	*	*			trans	154	152.2	150.9	-91.7	-71	-75	0	0	115.9	P655 T656	M512-P655 CarbonylContact C-O 3.59Å; M512-P655 PolarHBondContact N-O 3.05Å; M512-T656 PolarHBondContact N-OG1 2.95Å
513	G	42.3	Very low	41.6	Very low	71 Å²	71	122.6 Å²	122.6	73%	0.732	68%	0.684	S	S	*	*			cis	152.1	160.6	-1.3	0	0	0	0	0	111.9
514	E	40	Very low	42	Very low	167 Å²	167	127.1 Å²	127.1	78%	0.78	69%	0.69	S	S	*	*			cis	-162.5	-154.1	-13	-141.9	-65.6	-74	0	0	113
515	T	40.5	Very low	42.2	Very low	98 Å²	98	128.1 Å²	128.1	60%	0.601	70%	0.698	S	S	*	*			trans	-138.6	-155.3	-162.3	62.1	0	0	0	0	117.3
516	N	40.4	Very low	42.5	Very low	89 Å²	89	132.1 Å²	132.1	48%	0.476	70%	0.703	S	S	.	*			cis	-165	-162.7	6.5	-140.4	-60.4	0	0	0	115.8	L1155	N516-L1155 PolarHBondContact O-N 3.48Å
517	F	37.6	Very low	43.2	Very low	131 Å²	131	132.4 Å²	132.4	58%	0.575	71%	0.705	S	S	*	*			trans	149.6	-168.9	153	-46.5	-39.1	0	0	0	124	P1153 D1154	F517-P1153 HydrophobicContact CB-CB 4.4Å; F517-D1154 WeakPolarHBondContact CA-OD1 3.27Å; F517-D1154 WeakPolarHBondContact CB-OD1 3.31Å
518	S	38.1	Very low	43.5	Very low	63 Å²	63	135.3 Å²	135.3	44%	0.441	71%	0.707	S	S	.	*			trans	-140.1	-169.4	-140.5	-86.3	0	0	0	0	122.6	D1154	S518-D1154 PolarHBondContact N-OD1 3.34Å; S518-D1154 PolarHBondContact N-OD2 2.96Å; S518-D1154 VanDerWaalsContact N-OD2 3.07Å
519	P	49	Very low	45.4	Very low	124 Å²	124	130 Å²	130	81%	0.805	69%	0.685	S	S	*	*			trans	-152.5	-166	-172	47.6	-28.1	0	0	0	121.2
520	Q	40.8	Very low	47.3	Very low	158 Å²	158	134 Å²	134	74%	0.738	68%	0.682	S	S	*	*			trans	-160.7	-178	163.5	-131	-169.4	101.9	0	0	111.7
521	S	38.2	Very low	49.2	Very low	81 Å²	81	134.4 Å²	134.4	57%	0.566	69%	0.687	S	S	*	*			cis	-164.7	-171.6	-3.9	-146.2	0	0	0	0	108
522	R	42.2	Very low	50.3	Low	208 Å²	208	138.4 Å²	138.4	79%	0.785	70%	0.697	S	S	*	*			cis	-156	-154.6	-8.3	-146.6	160.8	-80.9	-160.5	-3.7	109.1
523	R	37.7	Very low	52.5	Low	253 Å²	253	134.8 Å²	134.8	96%	0.955	68%	0.681	S	S	*	*			trans	-146.7	157.2	-171.3	-65.3	-173.2	-176.5	167.5	4.5	121.4
524	K	49.5	Very low	54.4	Low	205 Å²	205	138.6 Å²	138.6	89%	0.891	67%	0.673	S	S	*	*			trans	-150.2	164.6	160.6	-146.1	167.6	-170	170.5	0	111
525	A	45.6	Very low	56.5	Low	104 Å²	104	139.1 Å²	139.1	86%	0.86	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-72.5	149.4	-166.4	0	0	0	0	0	116.2
526	F	49.3	Very low	58.6	Low	186 Å²	186	138.3 Å²	138.3	82%	0.816	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-101	119	-176.8	-100.2	-102.5	0	0	0	113.3
527	D	57.8	Low	60.7	Low	157 Å²	157	140.7 Å²	140.7	84%	0.84	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-64.3	151	164.8	-105.2	-50.1	0	0	0	112.2	E529	D527-E529 PolarHBondContact O-N 3.23Å
528	Y	51.7	Low	63.1	Low	199 Å²	199	137.8 Å²	137.8	78%	0.78	65%	0.649	S	S	*	*			trans	-75.4	69.7	-175.6	-130.3	-69.8	0	0	0	112.2	K530	Y528-K530 PolarHBondContact O-N 2.93Å
529	E	77.3	Confident	65.4	Low	53 Å²	53	136.6 Å²	136.6	25%	0.248	64%	0.643	C	S	.	*			trans	-61.6	128	179.3	-176.1	167.3	-123.2	0	0	111.4	D527 N533 R534 R537	D527-E529 PolarHBondContact O-N 3.23Å; E529-N533 HydrophobicContact CG-CB 3.42Å; E529-N533 VanDerWaalsContact CG-CB 3.42Å; E529-N533 WeakPolarHBondContact OE1-CB 3.3Å; E529-R534 HydrophobicContact CG-CB 4.3Å; E529-R534 VanDerWaalsContact OE2-CA 3.25Å; E529-R534 WeakPolarHBondContact OE2-CA 3.46Å; E529-R534 PolarHBondContact OE2-N 2.8Å; E529-R537 IonicContact OE1-CZ 3.49Å; E529-R537 IonicContact OE1-NE 2.55Å; E529-R537 PolarHBondContact OE1-NE 2.87Å; E529-R537 IonicContact OE1-NH2 3.76Å; E529-R537 PolarHBondContact OE1-NH2 2.86Å; E529-R537 IonicContact OE2-CZ 2.68Å; E529-R537 IonicContact OE2-NE 3.6Å; E529-R537 PolarHBondContact OE2-NE 3.04Å; E529-R537 IonicContact OE2-NH2 3.92Å; E529-R537 PolarHBondContact OE2-NH2 2.84Å
530	K	82.9	Confident	67.3	Low	151 Å²	151	139.2 Å²	139.2	66%	0.657	64%	0.637	S	S	*	*			trans	-51.5	137.3	178.5	-64.3	169.9	-175.4	164.6	0	109.9	Y528 K532 N533 R534	Y528-K530 PolarHBondContact O-N 2.93Å; K530-K532 VanDerWaalsContact C-N 3.25Å; K530-K532 PolarHBondContact O-N 3.06Å; K530-N533 HydrophobicContact CB-CB 4.37Å; K530-N533 CarbonylContact O-C 3.54Å; K530-N533 WeakPolarHBondContact O-CA 3.26Å; K530-N533 WeakPolarHBondContact O-CB 3.42Å; K530-N533 PolarHBondContact O-N 2.99Å; K530-R534 PolarHBondContact O-N 2.87Å
531	P	78.2	Confident	69.4	Low	114 Å²	114	134.1 Å²	134.1	74%	0.74	62%	0.622	S	S	*	*	H	α-helix	trans	-51.5	-37.5	-175.5	-31.8	36.2	0	0	0	115.2	R534 W535	P531-R534 PolarHBondContact O-N 3.07Å; P531-W535 WeakPolarHBondContact O-CB 3.25Å; P531-W535 PolarHBondContact O-N 2.83Å
532	K	78.9	Confident	71.5	Confident	151 Å²	151	136.7 Å²	136.7	66%	0.657	62%	0.619	S	S	*	*	H	α-helix	trans	-65.2	-38.2	173.4	-176.1	170.4	-178.5	171.6	0	113.1	K530 M536	K530-K532 VanDerWaalsContact C-N 3.25Å; K530-K532 PolarHBondContact O-N 3.06Å; K532-M536 HydrophobicContact CG-CE 4.33Å; K532-M536 WeakPolarHBondContact O-CB 3.35Å; K532-M536 VanDerWaalsContact O-CG 3.25Å; K532-M536 WeakPolarHBondContact O-CG 3.34Å; K532-M536 PolarHBondContact O-N 2.86Å
533	N	84.4	Confident	73.3	Confident	67 Å²	67	132.4 Å²	132.4	36%	0.358	60%	0.603	S	S	.	*	H	α-helix	trans	-70.9	-43	175.5	-73.2	27.3	0	0	0	110.7	E529 K530 W535 M536 R537	E529-N533 HydrophobicContact CG-CB 3.42Å; E529-N533 VanDerWaalsContact CG-CB 3.42Å; E529-N533 WeakPolarHBondContact OE1-CB 3.3Å; K530-N533 HydrophobicContact CB-CB 4.37Å; K530-N533 CarbonylContact O-C 3.54Å; K530-N533 WeakPolarHBondContact O-CA 3.26Å; K530-N533 WeakPolarHBondContact O-CB 3.42Å; K530-N533 PolarHBondContact O-N 2.99Å; N533-W535 PolarHBondContact O-N 2.83Å; N533-M536 HydrophobicContact CB-CE 4.5Å; N533-M536 CarbonylContact O-C 3.58Å; N533-M536 PolarHBondContact O-N 2.9Å; N533-R537 WeakPolarHBondContact O-CB 3.44Å; N533-R537 PolarHBondContact O-N 2.81Å
534	R	83.2	Confident	75.4	Confident	152 Å²	152	122.9 Å²	122.9	57%	0.574	57%	0.574	S	S	*	*	H	α-helix	trans	-58.1	-48.6	173.8	179.1	-178.7	162.5	172.1	-2.4	110.6	E529 K530 P531 M536 R537 E538	E529-R534 HydrophobicContact CG-CB 4.3Å; E529-R534 VanDerWaalsContact OE2-CA 3.25Å; E529-R534 WeakPolarHBondContact OE2-CA 3.46Å; E529-R534 PolarHBondContact OE2-N 2.8Å; K530-R534 PolarHBondContact O-N 2.87Å; P531-R534 PolarHBondContact O-N 3.07Å; R534-M536 PolarHBondContact O-N 2.94Å; R534-R537 CarbonylContact O-C 3.58Å; R534-R537 WeakPolarHBondContact O-CB 3.3Å; R534-R537 PolarHBondContact O-N 3.22Å; R534-R537 VanDerWaalsContact O-N 3.13Å; R534-E538 IonicContact CZ-OE2 3.09Å; R534-E538 IonicContact NE-OE2 3.85Å; R534-E538 PolarHBondContact NE-OE2 2.96Å; R534-E538 IonicContact NH2-OE2 3.52Å; R534-E538 PolarHBondContact NH2-OE2 3.32Å; R534-E538 VanDerWaalsContact O-CB 3.28Å; R534-E538 WeakPolarHBondContact O-CB 3.48Å; R534-E538 PolarHBondContact O-N 2.85Å
535	W	83.1	Confident	76.6	Confident	177 Å²	177	118.8 Å²	118.8	67%	0.67	56%	0.559	S	S	*	*	H	α-helix	trans	-61.5	-40.5	176.1	177.9	79.6	0	0	0	112.4	P531 N533 R537 E538 A539	P531-W535 WeakPolarHBondContact O-CB 3.25Å; P531-W535 PolarHBondContact O-N 2.83Å; N533-W535 PolarHBondContact O-N 2.83Å; W535-R537 VanDerWaalsContact C-N 3.33Å; W535-R537 PolarHBondContact O-N 3.37Å; W535-E538 PolarHBondContact O-N 2.87Å; W535-A539 WeakPolarHBondContact O-CB 3.48Å; W535-A539 PolarHBondContact O-N 2.97Å
536	M	84.7	Confident	78.1	Confident	82 Å²	82	117.7 Å²	117.7	40%	0.404	54%	0.538	S	S	.	.	H	α-helix	trans	-66	-32	173.3	-73.9	-175	-52.5	0	0	113.3	K532 N533 R534 R540	K532-M536 HydrophobicContact CG-CE 4.33Å; K532-M536 WeakPolarHBondContact O-CB 3.35Å; K532-M536 VanDerWaalsContact O-CG 3.25Å; K532-M536 WeakPolarHBondContact O-CG 3.34Å; K532-M536 PolarHBondContact O-N 2.86Å; N533-M536 HydrophobicContact CB-CE 4.5Å; N533-M536 CarbonylContact O-C 3.58Å; N533-M536 PolarHBondContact O-N 2.9Å; R534-M536 PolarHBondContact O-N 2.94Å; M536-R540 WeakPolarHBondContact O-CB 3.46Å; M536-R540 PolarHBondContact O-N 2.88Å
537	R	85.2	Confident	79.1	Confident	139 Å²	139	109.9 Å²	109.9	53%	0.525	50%	0.504	S	S	.	.	H	α-helix	trans	-72.6	-46.4	174.5	-169.3	-168.4	-61	-150.2	-1.9	110.7	E529 N533 R534 W535 R540 A541	E529-R537 IonicContact OE1-CZ 3.49Å; E529-R537 IonicContact OE1-NE 2.55Å; E529-R537 PolarHBondContact OE1-NE 2.87Å; E529-R537 IonicContact OE1-NH2 3.76Å; E529-R537 PolarHBondContact OE1-NH2 2.86Å; E529-R537 IonicContact OE2-CZ 2.68Å; E529-R537 IonicContact OE2-NE 3.6Å; E529-R537 PolarHBondContact OE2-NE 3.04Å; E529-R537 IonicContact OE2-NH2 3.92Å; E529-R537 PolarHBondContact OE2-NH2 2.84Å; N533-R537 WeakPolarHBondContact O-CB 3.44Å; N533-R537 PolarHBondContact O-N 2.81Å; R534-R537 CarbonylContact O-C 3.58Å; R534-R537 WeakPolarHBondContact O-CB 3.3Å; R534-R537 PolarHBondContact O-N 3.22Å; R534-R537 VanDerWaalsContact O-N 3.13Å; W535-R537 VanDerWaalsContact C-N 3.33Å; W535-R537 PolarHBondContact O-N 3.37Å; R537-R540 PolarHBondContact O-N 2.88Å; R537-A541 WeakPolarHBondContact O-CB 3.15Å; R537-A541 PolarHBondContact O-N 2.88Å
538	E	86.5	Confident	79.6	Confident	69 Å²	69	112.3 Å²	112.3	32%	0.322	50%	0.502	S	S	.	.	H	α-helix	trans	-68.4	-42.4	-178.9	-159	177.9	128.7	0	0	111.2	R534 W535 R540 A541 R542	R534-E538 IonicContact CZ-OE2 3.09Å; R534-E538 IonicContact NE-OE2 3.85Å; R534-E538 PolarHBondContact NE-OE2 2.96Å; R534-E538 IonicContact NH2-OE2 3.52Å; R534-E538 PolarHBondContact NH2-OE2 3.32Å; R534-E538 VanDerWaalsContact O-CB 3.28Å; R534-E538 WeakPolarHBondContact O-CB 3.48Å; R534-E538 PolarHBondContact O-N 2.85Å; W535-E538 PolarHBondContact O-N 2.87Å; E538-R540 VanDerWaalsContact C-N 3.3Å; E538-R540 PolarHBondContact O-N 2.93Å; E538-A541 PolarHBondContact O-N 2.9Å; E538-R542 WeakPolarHBondContact O-CG 3.32Å; E538-R542 PolarHBondContact O-N 3.35Å; E538-R542 IonicContact OE1-CZ 2.77Å; E538-R542 IonicContact OE1-NE 2.74Å; E538-R542 IonicContact OE1-NH2 3.29Å; E538-R542 PolarHBondContact OE1-NH2 2.91Å
539	A	86.8	Confident	80.2	Confident	38 Å²	38	109.4 Å²	109.4	31%	0.314	50%	0.5	S	S	.	.	H	α-helix	trans	-67.5	-28.1	172.8	0	0	0	0	0	113.1	W535 R543	W535-A539 WeakPolarHBondContact O-CB 3.48Å; W535-A539 PolarHBondContact O-N 2.97Å; A539-R543 WeakPolarHBondContact O-CB 3.42Å; A539-R543 PolarHBondContact O-N 2.88Å; A539-R543 VanDerWaalsContact O-N 3.15Å
540	R	88.3	Confident	79.3	Confident	179 Å²	179	109.4 Å²	109.4	68%	0.675	51%	0.505	S	S	*	.	H	α-helix	trans	-76.3	-36.3	171.5	-171.1	-177.7	-61.2	-158.2	-1.3	111.6	M536 R537 E538 C544	M536-R540 WeakPolarHBondContact O-CB 3.46Å; M536-R540 PolarHBondContact O-N 2.88Å; R537-R540 PolarHBondContact O-N 2.88Å; E538-R540 VanDerWaalsContact C-N 3.3Å; E538-R540 PolarHBondContact O-N 2.93Å; R540-C544 PolarHBondContact O-N 3.05Å; R540-C544 PolarHBondContact O-SG 2.8Å; R540-C544 VanDerWaalsContact O-SG 3.38Å
541	A	84.9	Confident	77.5	Confident	51 Å²	51	108 Å²	108	42%	0.421	50%	0.504	S	S	.	.	H	α-helix	trans	-66.9	-49.1	175.1	0	0	0	0	0	111.3	R537 E538 R543 C544 Q545	R537-A541 WeakPolarHBondContact O-CB 3.15Å; R537-A541 PolarHBondContact O-N 2.88Å; E538-A541 PolarHBondContact O-N 2.9Å; A541-R543 VanDerWaalsContact C-N 3.35Å; A541-R543 PolarHBondContact O-N 3.46Å; A541-C544 CarbonylContact O-C 3.56Å; A541-C544 PolarHBondContact O-N 3.1Å; A541-C544 VanDerWaalsContact O-N 3.09Å; A541-Q545 PolarHBondContact O-N 3.01Å
542	R	83.3	Confident	76	Confident	136 Å²	136	108 Å²	108	51%	0.513	50%	0.504	S	S	.	.	H	α-helix	trans	-54.1	-50.3	172	-71.5	-175.9	-164.4	-142.6	4.3	110.7	E538 C544 Q545 D546	E538-R542 WeakPolarHBondContact O-CG 3.32Å; E538-R542 PolarHBondContact O-N 3.35Å; E538-R542 IonicContact OE1-CZ 2.77Å; E538-R542 IonicContact OE1-NE 2.74Å; E538-R542 IonicContact OE1-NH2 3.29Å; E538-R542 PolarHBondContact OE1-NH2 2.91Å; R542-C544 VanDerWaalsContact C-N 3.28Å; R542-C544 PolarHBondContact O-N 3Å; R542-Q545 CarbonylContact O-C 3.01Å; R542-Q545 VanDerWaalsContact O-CA 3.32Å; R542-Q545 WeakPolarHBondContact O-CA 3.41Å; R542-Q545 WeakPolarHBondContact O-CB 3.49Å; R542-Q545 PolarHBondContact O-N 2.82Å; R542-D546 PolarHBondContact O-N 3.32Å; R542-D546 VanDerWaalsContact O-OD1 3.07Å
543	R	81	Confident	73.9	Confident	118 Å²	118	105.3 Å²	105.3	45%	0.445	50%	0.504	S	S	.	.	H	α-helix	trans	-58.8	-37.4	177.2	-152.4	-173.7	-67.9	-171	-5.6	113.3	A539 A541 Q545 D546 E547	A539-R543 WeakPolarHBondContact O-CB 3.42Å; A539-R543 PolarHBondContact O-N 2.88Å; A539-R543 VanDerWaalsContact O-N 3.15Å; A541-R543 VanDerWaalsContact C-N 3.35Å; A541-R543 PolarHBondContact O-N 3.46Å; R543-Q545 VanDerWaalsContact C-N 3.27Å; R543-Q545 PolarHBondContact O-N 3.38Å; R543-D546 WeakPolarHBondContact CA-OD2 3.34Å; R543-D546 PolarHBondContact O-N 3.27Å; R543-E547 WeakPolarHBondContact CD-OE1 3.09Å; R543-E547 HydrophobicContact CG-CG 4.34Å; R543-E547 VanDerWaalsContact CG-OE1 3.25Å; R543-E547 WeakPolarHBondContact CG-OE1 3.33Å; R543-E547 VanDerWaalsContact O-CB 3.27Å; R543-E547 WeakPolarHBondContact O-CB 3.43Å; R543-E547 WeakPolarHBondContact O-CG 3.38Å; R543-E547 PolarHBondContact O-N 3.23Å
544	C	80.4	Confident	71.7	Confident	52 Å²	52	105.8 Å²	105.8	35%	0.351	51%	0.513	S	S	.	.	H	α-helix	trans	-74.1	-10.8	173	-69.1	0	0	0	0	114.6	R540 A541 R542 R548	R540-C544 PolarHBondContact O-N 3.05Å; R540-C544 PolarHBondContact O-SG 2.8Å; R540-C544 VanDerWaalsContact O-SG 3.38Å; A541-C544 CarbonylContact O-C 3.56Å; A541-C544 PolarHBondContact O-N 3.1Å; A541-C544 VanDerWaalsContact O-N 3.09Å; R542-C544 VanDerWaalsContact C-N 3.28Å; R542-C544 PolarHBondContact O-N 3Å; C544-R548 WeakPolarHBondContact O-CG 3.25Å
545	Q	74.8	Confident	69.5	Low	120 Å²	120	103.5 Å²	103.5	56%	0.561	52%	0.516	S	S	*	.	H	α-helix	trans	-84.7	-49.1	162.9	-65.2	-179.9	-86.5	0	0	110	A541 R542 R543 E547 R548 N549	A541-Q545 PolarHBondContact O-N 3.01Å; R542-Q545 CarbonylContact O-C 3.01Å; R542-Q545 VanDerWaalsContact O-CA 3.32Å; R542-Q545 WeakPolarHBondContact O-CA 3.41Å; R542-Q545 WeakPolarHBondContact O-CB 3.49Å; R542-Q545 PolarHBondContact O-N 2.82Å; R543-Q545 VanDerWaalsContact C-N 3.27Å; R543-Q545 PolarHBondContact O-N 3.38Å; Q545-E547 PolarHBondContact O-N 2.78Å; Q545-E547 VanDerWaalsContact O-N 3.16Å; Q545-R548 CarbonylContact O-C 3.39Å; Q545-R548 WeakPolarHBondContact O-CA 3.36Å; Q545-R548 WeakPolarHBondContact O-CB 2.91Å; Q545-R548 PolarHBondContact O-N 3.42Å; Q545-N549 PolarHBondContact O-N 3.27Å; Q545-N549 PolarHBondContact O-OD1 3.07Å
546	D	76.7	Confident	67.3	Low	81 Å²	81	97.2 Å²	97.2	43%	0.433	50%	0.501	S	S	.	.	H	α-helix	trans	-52	-39.7	175.5	-47.1	-23.4	0	0	0	111.7	R542 R543 R548 S550	R542-D546 PolarHBondContact O-N 3.32Å; R542-D546 VanDerWaalsContact O-OD1 3.07Å; R543-D546 WeakPolarHBondContact CA-OD2 3.34Å; R543-D546 PolarHBondContact O-N 3.27Å; D546-R548 VanDerWaalsContact C-N 3.34Å; D546-S550 VanDerWaalsContact O-CB 3.29Å; D546-S550 WeakPolarHBondContact O-CB 3.5Å; D546-S550 PolarHBondContact O-N 2.67Å; D546-S550 PolarHBondContact O-OG 3.17Å
547	E	70	Confident	64.9	Low	22 Å²	22	99.7 Å²	99.7	10%	0.103	52%	0.521	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-18.2	178.5	-67.4	160.3	-173.5	0	0	113.9	R134 K135 K137 R543 Q545	R134-E547 VanDerWaalsContact C-OE1 3.27Å; R134-E547 HydrophobicContact CB-CG 4.26Å; R134-E547 VanDerWaalsContact O-CD 3.29Å; K135-E547 HydrophobicContact CG-CB 4.45Å; K135-E547 HydrophobicContact CG-CG 4.43Å; K137-E547 IonicContact NZ-OE1 3.78Å; K137-E547 PolarHBondContact NZ-OE1 2.86Å; K137-E547 IonicContact NZ-OE2 2.79Å; K137-E547 PolarHBondContact NZ-OE2 3.42Å; R543-E547 WeakPolarHBondContact CD-OE1 3.09Å; R543-E547 HydrophobicContact CG-CG 4.34Å; R543-E547 VanDerWaalsContact CG-OE1 3.25Å; R543-E547 WeakPolarHBondContact CG-OE1 3.33Å; R543-E547 VanDerWaalsContact O-CB 3.27Å; R543-E547 WeakPolarHBondContact O-CB 3.43Å; R543-E547 WeakPolarHBondContact O-CG 3.38Å; R543-E547 PolarHBondContact O-N 3.23Å; Q545-E547 PolarHBondContact O-N 2.78Å; Q545-E547 VanDerWaalsContact O-N 3.16Å
548	R	68.7	Low	62.5	Low	207 Å²	207	96.7 Å²	96.7	78%	0.781	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-38.8	169.7	-74.5	177.9	175	-170.1	-3.5	111.6	C544 Q545 D546 S550	C544-R548 WeakPolarHBondContact O-CG 3.25Å; Q545-R548 CarbonylContact O-C 3.39Å; Q545-R548 WeakPolarHBondContact O-CA 3.36Å; Q545-R548 WeakPolarHBondContact O-CB 2.91Å; Q545-R548 PolarHBondContact O-N 3.42Å; D546-R548 VanDerWaalsContact C-N 3.34Å; R548-S550 PolarHBondContact O-N 2.8Å
549	N	64.7	Low	60	Low	139 Å²	139	101.5 Å²	101.5	74%	0.743	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	3.8	179.6	-72.1	41.9	0	0	0	113.9	Q545	Q545-N549 PolarHBondContact O-N 3.27Å; Q545-N549 PolarHBondContact O-OD1 3.07Å
550	S	57.9	Low	57.6	Low	52 Å²	52	106.3 Å²	106.3	36%	0.364	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-120.1	15.3	-177.5	54.4	0	0	0	0	114.2	K135 D546 R548	K135-S550 WeakPolarHBondContact CE-O 3.23Å; K135-S550 WeakPolarHBondContact CE-OG 3.37Å; K135-S550 PolarHBondContact NZ-O 2.87Å; D546-S550 VanDerWaalsContact O-CB 3.29Å; D546-S550 WeakPolarHBondContact O-CB 3.5Å; D546-S550 PolarHBondContact O-N 2.67Å; D546-S550 PolarHBondContact O-OG 3.17Å; R548-S550 PolarHBondContact O-N 2.8Å
551	I	45.7	Very low	55.1	Low	121 Å²	121	103 Å²	103	62%	0.621	57%	0.567	S	S	*	*	S	Bend	trans	-94.6	116.9	163.4	-58.3	177.7	0	0	0	106.4
552	P	46.6	Very low	52.8	Low	115 Å²	115	105.4 Å²	105.4	75%	0.747	58%	0.581	S	S	*	*			trans	-75.9	153.4	-176.9	31.5	-35.2	0	0	0	112.2
553	S	34.5	Very low	50.7	Low	95 Å²	95	104 Å²	104	66%	0.664	59%	0.592	S	S	*	*			trans	-160.2	91.8	176.1	58.1	0	0	0	0	110.5
554	S	38.9	Very low	48.8	Very low	77 Å²	77	102.6 Å²	102.6	54%	0.538	60%	0.6	S	S	.	*			trans	-166.2	-178.5	-176.4	55.5	0	0	0	0	113.7	G1159 I1160	S554-G1159 CarbonylContact C-O 3.48Å; S554-I1160 WeakPolarHBondContact O-CA 3.37Å
555	T	35.9	Very low	46.7	Very low	103 Å²	103	106.8 Å²	106.8	63%	0.632	62%	0.619	S	S	*	*				-117.1	138.5	-119.6	45.2	0	0	0	0	119.5	G1159	T555-G1159 WeakPolarHBondContact CA-O 2.95Å
556	A	37	Very low	45.1	Very low	45 Å²	45	107 Å²	107	37%	0.372	62%	0.624	S	S	.	*			trans	-166	-179.3	162.6	0	0	0	0	0	112.2	I1160 L1161	A556-I1160 CarbonylContact C-O 3.59Å; A556-I1160 VanDerWaalsContact C-O 3.31Å; A556-I1160 PolarHBondContact N-O 3.39Å; A556-L1161 VanDerWaalsContact CB-O 3.27Å; A556-L1161 WeakPolarHBondContact CB-O 3.33Å
557	T	34.9	Very low	43.3	Very low	134 Å²	134	108 Å²	108	82%	0.822	63%	0.633	S	S	*	*			trans	-172.8	161.3	-173.9	35.5	0	0	0	0	109.6
558	S	35.9	Very low	41.9	Very low	77 Å²	77	112.9 Å²	112.9	54%	0.538	66%	0.66	S	S	.	*			cis	-177.1	179.2	-13.1	56.8	0	0	0	0	110.3
559	H	34	Very low	40.6	Very low	169 Å²	169	108.4 Å²	108.4	78%	0.782	66%	0.656	S	S	*	*			trans	61.1	153.5	164.4	59.6	-128.3	0	0	0	118.5
560	I	35	Very low	39.4	Very low	140 Å²	140	108.5 Å²	108.5	72%	0.718	66%	0.657	S	S	*	*			cis	-143.5	140	25.7	-70.4	171.7	0	0	0	111.2
561	S	36	Very low	38.3	Very low	108 Å²	108	112 Å²	112	76%	0.755	67%	0.671	S	S	*	*			trans	43.9	155.3	156.6	-46.6	0	0	0	0	121.3
562	S	37.7	Very low	37.9	Very low	102 Å²	102	110.8 Å²	110.8	71%	0.713	67%	0.674	S	S	*	*			cis	-152.1	161.9	16.9	-41.5	0	0	0	0	111.7
563	S	38.2	Very low	37.4	Very low	106 Å²	106	110.9 Å²	110.9	74%	0.741	67%	0.672	S	S	*	*			trans	30	137.9	142.8	59.1	0	0	0	0	121.6
564	S	41	Very low	37.5	Very low	90 Å²	90	110.9 Å²	110.9	63%	0.629	67%	0.672	S	S	*	*			cis	-175.4	144.4	3.3	44.6	0	0	0	0	111.7
565	N	37.8	Very low	37.2	Very low	140 Å²	140	111.3 Å²	111.3	75%	0.749	67%	0.674	S	S	*	*				43.5	145.7	118.9	-42.8	1.1	0	0	0	119.8
566	N	40	Very low	37.1	Very low	124 Å²	124	109.2 Å²	109.2	66%	0.663	66%	0.659	S	S	*	*			cis	-159	155.1	-7.7	-109	13.4	0	0	0	106.9
567	T	39.3	Very low	37.2	Very low	101 Å²	101	109.9 Å²	109.9	62%	0.62	66%	0.659	S	S	*	*				50.3	148.9	88.6	95.9	0	0	0	0	114.9
568	D	40.8	Very low	37.1	Very low	125 Å²	125	110.1 Å²	110.1	67%	0.668	65%	0.651	S	S	*	*			cis	-155.9	173.2	26.2	-130.6	-54.2	0	0	0	116
569	T	41.9	Very low	37.2	Very low	114 Å²	114	111.8 Å²	111.8	70%	0.699	66%	0.663	S	S	*	*			trans	-20	157.4	164.1	41.6	0	0	0	0	121.7
570	D	39.3	Very low	37.5	Very low	141 Å²	141	108.8 Å²	108.8	75%	0.754	66%	0.659	S	S	*	*			cis	-150.2	-89.4	-20	-173	61.5	0	0	0	111.9
571	N	34.9	Very low	37.6	Very low	126 Å²	126	106.5 Å²	106.5	67%	0.674	66%	0.655	S	S	*	*			cis	-159.8	123	-14.5	-157	-45.4	0	0	0	113.5
572	S	36.2	Very low	37.7	Very low	95 Å²	95	108 Å²	108	66%	0.664	65%	0.654	S	S	*	*			trans	66.8	158	165.1	79.9	0	0	0	0	119.8
573	T	36.3	Very low	37.6	Very low	117 Å²	117	109.1 Å²	109.1	72%	0.718	65%	0.652	S	S	*	*			cis	-163	123	-30.3	-87.8	0	0	0	0	110.7
574	S	35.7	Very low	37.4	Very low	94 Å²	94	113.7 Å²	113.7	66%	0.657	65%	0.653	S	S	*	*			trans	67.7	155.6	156.4	77.3	0	0	0	0	122.3
575	C	33.5	Very low	37.2	Very low	86 Å²	86	114.8 Å²	114.8	58%	0.581	65%	0.651	S	S	*	*			trans	73.2	161	154.9	-66.9	0	0	0	0	120.7	N172	N172-C575 PolarHBondContact ND2-N 3.37Å
576	N	33.4	Very low	37.2	Very low	59 Å²	59	117.9 Å²	117.9	32%	0.316	65%	0.652	S	S	.	*				-172.4	143.3	-50	-94.9	10.8	0	0	0	108.4	N172 E173	N172-N576 VanDerWaalsContact CB-OD1 3.22Å; N172-N576 WeakPolarHBondContact CB-OD1 3.38Å; N172-N576 PolarHBondContact ND2-OD1 3.47Å; E173-N576 PolarHBondContact N-OD1 3.04Å; E173-N576 WeakPolarHBondContact O-CA 2.93Å; E173-N576 WeakPolarHBondContact O-CB 3.47Å; E173-N576 PolarHBondContact O-ND2 3.48Å; E173-N576 PolarHBondContact O-OD1 2.87Å; E173-N576 VanDerWaalsContact O-OD1 3.11Å; E173-N576 PolarHBondContact OE2-ND2 2.63Å; E173-N576 PolarHBondContact OE2-OD1 3.22Å
577	P	40.5	Very low	37.2	Very low	59 Å²	59	117.6 Å²	117.6	38%	0.383	65%	0.649	S	S	.	*				-79.9	-179.4	-128.3	27.2	-0.6	0	0	0	116.2	N172 E173 V174	N172-P577 VanDerWaalsContact O-CB 3.27Å; N172-P577 WeakPolarHBondContact O-CB 3.46Å; E173-P577 VanDerWaalsContact C-CD 3.48Å; E173-P577 WeakPolarHBondContact O-CD 3.12Å; E173-P577 WeakPolarHBondContact O-CG 3.08Å; V174-P577 WeakPolarHBondContact O-CD 2.95Å; V174-P577 WeakPolarHBondContact O-CG 3Å
578	Q	32.3	Very low	37.3	Very low	139 Å²	139	123.9 Å²	123.9	65%	0.65	66%	0.662	S	S	*	*				162.4	103.8	108.2	-86.1	-164	10.5	0	0	112.2
579	S	36.8	Very low	37.3	Very low	113 Å²	113	123 Å²	123	79%	0.79	67%	0.665	S	S	*	*			trans	61.6	-165.6	155.8	-29.4	0	0	0	0	113.8
580	P	40.6	Very low	37.2	Very low	106 Å²	106	120.6 Å²	120.6	69%	0.688	66%	0.663	S	S	*	*			cis	-123.1	166	-30.2	38.6	-26.2	0	0	0	112.8
581	S	36.7	Very low	37.1	Very low	92 Å²	92	121.6 Å²	121.6	64%	0.643	67%	0.669	S	S	*	*			trans	38.3	138.2	139.8	66.5	0	0	0	0	122.6
582	L	39.2	Very low	37.2	Very low	139 Å²	139	119.2 Å²	119.2	73%	0.728	67%	0.673	S	S	*	*				170.6	145.5	98.2	-91.4	179.7	0	0	0	113.8
583	N	35.3	Very low	37.3	Very low	125 Å²	125	120.3 Å²	120.3	67%	0.668	68%	0.681	S	S	*	*			trans	66.9	157.5	144.1	-69.8	-26	0	0	0	119.4
584	R	35	Very low	37	Very low	203 Å²	203	119.3 Å²	119.3	77%	0.766	68%	0.679	S	S	*	*			cis	-160.5	145	-4.2	-125.6	173.7	162.1	-173.5	-4.4	111.4
585	L	36.2	Very low	37	Very low	113 Å²	113	121.5 Å²	121.5	59%	0.592	69%	0.688	S	S	*	*			trans	66.6	160.4	153.3	-62.5	159.5	0	0	0	116.9	I587	L585-I587 HydrophobicContact CD2-CD1 4.22Å; L585-I587 HydrophobicContact CD2-CG1 4.38Å
586	R	37.7	Very low	37	Very low	205 Å²	205	122.3 Å²	122.3	77%	0.774	70%	0.695	S	S	*	*			cis	-149.4	125.4	11.7	-148.1	165.5	-160.7	129	-0.7	114.1
587	I	39.8	Very low	37.3	Very low	118 Å²	118	124.8 Å²	124.8	61%	0.605	71%	0.714	S	S	*	*			trans	27.6	123.2	130.1	-35.2	171.9	0	0	0	116.9	L585	L585-I587 HydrophobicContact CD2-CD1 4.22Å; L585-I587 HydrophobicContact CD2-CG1 4.38Å
588	R	41.1	Very low	37	Very low	233 Å²	233	126.5 Å²	126.5	88%	0.879	73%	0.727	S	S	*	*				-154.7	135.6	74.4	-81.3	172.3	175.3	177.3	-3.1	110.9
589	S	42	Very low	37	Very low	106 Å²	106	128.7 Å²	128.7	74%	0.741	74%	0.737	S	S	*	*				70	128.3	67.7	-51.3	0	0	0	0	112.6
590	G	38.5	Very low	37	Very low	63 Å²	63	128.1 Å²	128.1	65%	0.649	73%	0.733	S	S	*	*			cis	-161.4	-166.8	0.2	0	0	0	0	0	109.2
591	D	38.1	Very low	36.7	Very low	163 Å²	163	126.7 Å²	126.7	87%	0.872	73%	0.731	S	S	*	*			cis	-153.7	-164.1	-3.8	-87	-47.4	0	0	0	109.3
592	G	37.5	Very low	36.5	Very low	75 Å²	75	129.1 Å²	129.1	77%	0.773	74%	0.736	S	S	*	*			trans	-67.7	-173.6	-178	0	0	0	0	0	116.3
593	S	36.5	Very low	36.2	Very low	118 Å²	118	131.2 Å²	131.2	83%	0.825	74%	0.739	S	S	*	*			cis	-154	-173.3	19.7	-159.6	0	0	0	0	114
594	S	31.1	Very low	36.3	Very low	97 Å²	97	129.6 Å²	129.6	68%	0.678	74%	0.737	S	S	*	*			trans	-53.5	169.5	175.2	55.5	0	0	0	0	116.8
595	V	36	Very low	36.2	Very low	140 Å²	140	126.2 Å²	126.2	85%	0.848	74%	0.735	S	S	*	*			trans	112.4	131.9	158.4	178.9	0	0	0	0	115.2
596	S	32.9	Very low	36.1	Very low	103 Å²	103	127.3 Å²	127.3	72%	0.72	74%	0.741	S	S	*	*			trans	-73.9	169.1	173.1	-49.8	0	0	0	0	111
597	P	39.9	Very low	35.8	Very low	111 Å²	111	124.1 Å²	124.1	72%	0.721	74%	0.74	S	S	*	*			cis	-148	-171.1	28	41.6	-18.6	0	0	0	117.1
598	S	33.5	Very low	35.6	Very low	94 Å²	94	124.6 Å²	124.6	66%	0.657	75%	0.747	S	S	*	*			trans	19.6	144.7	146.5	62.7	0	0	0	0	122.8
599	E	33.4	Very low	35.2	Very low	185 Å²	185	116.9 Å²	116.9	86%	0.864	73%	0.729	S	S	*	*			trans	72.8	144.9	158.9	-69.9	-169.9	159.8	0	0	117.4
600	S	35.6	Very low	34.9	Very low	101 Å²	101	116.9 Å²	116.9	71%	0.706	73%	0.729	S	S	*	*			cis	-158.6	-176.3	-17.6	60.6	0	0	0	0	110.8
601	A	34.2	Very low	34.6	Very low	77 Å²	77	121.6 Å²	121.6	64%	0.636	73%	0.732	S	S	*	*			trans	64.6	106.8	148.9	0	0	0	0	0	121.3
602	L	32.8	Very low	34.3	Very low	143 Å²	143	117 Å²	117	75%	0.749	71%	0.71	S	S	*	*				79	125.3	128.7	-60.1	174.6	0	0	0	121.9
603	K	34.2	Very low	34	Very low	182 Å²	182	121.6 Å²	121.6	79%	0.791	71%	0.709	S	S	*	*			trans	58.2	127.2	135.8	-63.9	171	177.7	173	0	117.6
604	S	35.8	Very low	33.9	Very low	91 Å²	91	122.6 Å²	122.6	64%	0.636	70%	0.704	S	S	*	*			cis	164.4	162.5	22.3	46.5	0	0	0	0	108.1
605	N	33.5	Very low	34.3	Very low	132 Å²	132	123 Å²	123	71%	0.706	70%	0.704	S	S	*	*			trans	63.5	118.9	147.7	-64.4	-0.2	0	0	0	120.9
606	N	33.9	Very low	34	Very low	137 Å²	137	123.7 Å²	123.7	73%	0.733	70%	0.703	S	S	*	*			trans	75.6	148.1	139	-54.4	-9.8	0	0	0	116.4
607	N	31.2	Very low	33.9	Very low	138 Å²	138	122.2 Å²	122.2	74%	0.738	70%	0.704	S	S	*	*			cis	-154.4	174.2	-2.2	-138.5	-15.6	0	0	0	113.2
608	V	36.4	Very low	33.6	Very low	127 Å²	127	121.6 Å²	121.6	77%	0.77	70%	0.702	S	S	*	*			trans	70	125.6	154.7	170.2	0	0	0	0	118.1
609	S	33.2	Very low	33.7	Very low	71 Å²	71	123.9 Å²	123.9	50%	0.497	71%	0.707	S	S	.	*			trans	-52.6	154.2	167.5	-63	0	0	0	0	115.4	E374	E374-S609 VanDerWaalsContact OE1-CB 3.3Å; E374-S609 WeakPolarHBondContact OE1-CB 3.29Å; E374-S609 PolarHBondContact OE1-OG 3.37Å; E374-S609 WeakPolarHBondContact OE2-CB 3.13Å; E374-S609 PolarHBondContact OE2-OG 2.81Å
610	S	35.1	Very low	33.7	Very low	107 Å²	107	121 Å²	121	75%	0.748	70%	0.697	S	S	*	*				-167.3	160.6	107.9	55	0	0	0	0	113.8
611	K	32.2	Very low	33.6	Very low	161 Å²	161	119.4 Å²	119.4	70%	0.7	68%	0.681	S	S	*	*			trans	91.8	99.3	138.7	-148.4	159.5	-173.2	178.9	0	118.6
612	V	31.8	Very low	33.5	Very low	68 Å²	68	125.1 Å²	125.1	41%	0.412	69%	0.686	S	S	.	*				57.8	102.8	125.8	-177.5	0	0	0	0	118.3	I375	I375-V612 WeakPolarHBondContact O-CG2 3.23Å
613	K	31.6	Very low	33.6	Very low	171 Å²	171	121.5 Å²	121.5	74%	0.743	67%	0.667	S	S	*	*				50.2	142	108.6	-141.6	-165.1	179.5	-177.7	0	119.6
614	L	34.8	Very low	33.4	Very low	138 Å²	138	117 Å²	117	72%	0.723	66%	0.659	S	S	*	*			trans	73.6	161.8	167.3	-58.2	-168.6	0	0	0	114.1
615	P	37.5	Very low	33.5	Very low	105 Å²	105	119.9 Å²	119.9	68%	0.682	66%	0.662	S	S	*	*			cis	-133.6	170.4	15.6	44.1	-27.9	0	0	0	118.6
616	N	31.4	Very low	33.6	Very low	155 Å²	155	118.2 Å²	118.2	83%	0.829	66%	0.661	S	S	*	*			trans	45.3	135.5	139.7	-58.7	1.6	0	0	0	122.1
617	G	30.8	Very low	33.6	Very low	73 Å²	73	115.1 Å²	115.1	75%	0.753	66%	0.661	S	S	*	*			trans	166	105.3	152.7	0	0	0	0	0	111.9
618	S	32.7	Very low	33.8	Very low	97 Å²	97	116.2 Å²	116.2	68%	0.678	67%	0.667	S	S	*	*			cis	-163.1	140.9	-2.4	-105.1	0	0	0	0	110.9
619	L	36.1	Very low	33.7	Very low	143 Å²	143	114.2 Å²	114.2	75%	0.749	66%	0.663	S	S	*	*			trans	60.6	157.1	132.4	-54.3	171.4	0	0	0	119.4
620	N	33.3	Very low	33.5	Very low	124 Å²	124	115.6 Å²	115.6	66%	0.663	67%	0.673	S	S	*	*			cis	177.9	167.8	-27.1	-99.1	14.9	0	0	0	104.1
621	N	32.8	Very low	33.4	Very low	68 Å²	68	119.1 Å²	119.1	36%	0.364	68%	0.678	S	S	.	*			cis	-141	-167.4	-6	-111.6	-3.2	0	0	0	106.2	S170	S170-N621 CarbonylContact O-C 3.19Å; S170-N621 WeakPolarHBondContact O-CA 3.46Å; S170-N621 WeakPolarHBondContact O-CB 3.23Å; S170-N621 PolarHBondContact OG-ND2 3.14Å
622	R	32.1	Very low	33.2	Very low	196 Å²	196	116 Å²	116	74%	0.74	68%	0.676	S	S	*	*			trans	-157.4	130.4	172.9	45.9	101.9	83.5	136.2	2.2	113.5	S169 S170 D171	S169-R622 CarbonylContact C-O 3.57Å; S169-R622 WeakPolarHBondContact CA-O 3.27Å; S169-R622 PolarHBondContact N-O 3.37Å; S169-R622 PolarHBondContact OG-N 3Å; S169-R622 PolarHBondContact OG-O 2.86Å; S170-R622 VanDerWaalsContact N-C 3.32Å; S170-R622 PolarHBondContact N-O 2.67Å; S170-R622 VanDerWaalsContact O-CA 3.29Å; S170-R622 WeakPolarHBondContact O-CA 3.49Å; S170-R622 PolarHBondContact O-N 3.13Å; D171-R622 VanDerWaalsContact OD2-CA 3.31Å; D171-R622 WeakPolarHBondContact OD2-CA 3.24Å
623	N	35.6	Very low	33.2	Very low	67 Å²	67	119.3 Å²	119.3	36%	0.358	69%	0.687	S	S	.	*			trans	-127.3	159.8	-176	-145.8	24.2	0	0	0	119.2	S169 D171	S169-N623 VanDerWaalsContact C-OD1 3.24Å; S169-N623 PolarHBondContact N-OD1 2.97Å; S169-N623 PolarHBondContact O-ND2 2.98Å; S169-N623 PolarHBondContact O-OD1 2.98Å; D171-N623 PolarHBondContact OD2-N 2.82Å
624	S	30.5	Very low	33.1	Very low	87 Å²	87	118.5 Å²	118.5	61%	0.608	68%	0.684	S	S	*	*			trans	-178.7	72.4	165.3	42.9	0	0	0	0	111.9	L168	L168-S624 WeakPolarHBondContact CD1-O 3.44Å; L168-S624 VanDerWaalsContact CD2-O 3.23Å; L168-S624 WeakPolarHBondContact CD2-O 3.34Å
625	E	36.4	Very low	32.9	Very low	153 Å²	153	121.1 Å²	121.1	72%	0.715	69%	0.686	S	S	*	*			trans	-68.3	127.2	156.3	-90.3	177.8	108.9	0	0	106.2	L168	L168-E625 HydrophobicContact CD1-CB 4.18Å; L168-E625 HydrophobicContact CD1-CG 3.56Å
626	S	35.3	Very low	32.6	Very low	97 Å²	97	121.8 Å²	121.8	68%	0.678	68%	0.683	S	S	*	*			cis	131.5	126.5	22.9	53.8	0	0	0	0	104
627	G	35	Very low	32.6	Very low	71 Å²	71	120.4 Å²	120.4	73%	0.732	68%	0.675	S	S	*	*			trans	158.1	90.6	-178.9	0	0	0	0	0	114.3
628	D	35	Very low	32.8	Very low	162 Å²	162	123.1 Å²	123.1	87%	0.866	67%	0.671	S	S	*	*			trans	45.8	117.8	137.6	-61.6	-26.1	0	0	0	122.4
629	A	33.9	Very low	32.8	Very low	84 Å²	84	123.5 Å²	123.5	69%	0.694	67%	0.67	S	S	*	*				77.8	100.8	117.5	0	0	0	0	0	120.7
630	S	30.4	Very low	32.8	Very low	101 Å²	101	122.9 Å²	122.9	71%	0.706	67%	0.667	S	S	*	*				78.6	124.6	110.9	-62.6	0	0	0	0	120.6
631	Q	31.5	Very low	33.1	Very low	181 Å²	181	122.8 Å²	122.8	85%	0.846	66%	0.662	S	S	*	*			trans	64.2	122.4	146.7	-61.7	177.6	34.3	0	0	116.4
632	S	29.3	Very low	33.4	Very low	95 Å²	95	127.6 Å²	127.6	66%	0.664	68%	0.68	S	S	*	*			cis	165.6	-177	17.7	47.2	0	0	0	0	106.5
633	E	31.1	Very low	33.8	Very low	138 Å²	138	122.9 Å²	122.9	65%	0.645	68%	0.677	S	S	*	*			trans	65	107.1	151.3	-64.2	-133.2	123.5	0	0	120.6
634	K	30.4	Very low	33.9	Very low	153 Å²	153	124.1 Å²	124.1	67%	0.665	70%	0.697	S	S	*	*				86.3	141.8	124.2	-69.2	171.8	178.3	148.3	0	120.5
635	Y	29.5	Very low	34.3	Very low	194 Å²	194	125.1 Å²	125.1	76%	0.761	70%	0.704	S	S	*	*			trans	90	110.3	134	-98.1	-139.9	0	0	0	120.3
636	L	31.6	Very low	34.4	Very low	119 Å²	119	122.7 Å²	122.7	62%	0.623	70%	0.7	S	S	*	*			trans	80.9	148.6	133.3	-68.4	-179.7	0	0	0	119.6
637	D	30.8	Very low	34.5	Very low	126 Å²	126	121.5 Å²	121.5	67%	0.674	69%	0.691	S	S	*	*			trans	66.2	145.1	140.7	-69.1	4.3	0	0	0	119.1
638	I	34.7	Very low	34.5	Very low	130 Å²	130	125.9 Å²	125.9	67%	0.667	69%	0.692	S	S	*	*			cis	-148.4	136	-10.5	-127.9	160.7	0	0	0	109.5
639	T	34.8	Very low	34.5	Very low	105 Å²	105	124.6 Å²	124.6	64%	0.644	69%	0.69	S	S	*	*			trans	40.2	134.7	133.4	-50.9	0	0	0	0	121.1
640	D	35.1	Very low	34.6	Very low	129 Å²	129	125.6 Å²	125.6	69%	0.69	69%	0.692	S	S	*	*			trans	86.6	152.5	146.9	-88.8	-3.9	0	0	0	121.3
641	Q	39.8	Very low	34.9	Very low	122 Å²	122	126.2 Å²	126.2	57%	0.57	69%	0.694	S	S	*	*			cis	-151.2	149.4	1.6	-145.1	168.6	101.6	0	0	113.3
642	K	37.8	Very low	34.8	Very low	169 Å²	169	122.7 Å²	122.7	74%	0.735	69%	0.688	S	S	*	*			trans	58.6	153.9	145.9	-94.4	172.3	-163.1	147.8	0	120.2
643	S	41.9	Very low	35	Very low	97 Å²	97	124.6 Å²	124.6	68%	0.678	69%	0.69	S	S	*	*			cis	-133.8	133.5	3.5	-75.5	0	0	0	0	108.5
644	A	38.2	Very low	34.9	Very low	93 Å²	93	122.6 Å²	122.6	77%	0.769	69%	0.687	S	S	*	*				57.6	135.2	94.7	0	0	0	0	0	114
645	S	38.7	Very low	35.1	Very low	108 Å²	108	118.9 Å²	118.9	76%	0.755	68%	0.679	S	S	*	*			cis	-163.6	173.3	12.8	-121.9	0	0	0	0	108.1
646	T	38	Very low	35.1	Very low	103 Å²	103	113.8 Å²	113.8	63%	0.632	67%	0.668	S	S	*	*			cis	-160.7	115.1	-4.5	-115.5	0	0	0	0	104.2
647	S	37.8	Very low	35	Very low	72 Å²	72	112.4 Å²	112.4	50%	0.503	67%	0.668	S	S	.	*				66.6	120.5	87.5	78.9	0	0	0	0	111.8
648	H	34	Very low	35	Very low	162 Å²	162	113.3 Å²	113.3	75%	0.75	67%	0.673	S	S	*	*				111.4	154.7	78.7	66.3	0.2	0	0	0	110.6
649	V	34.6	Very low	34.8	Very low	135 Å²	135	112 Å²	112	82%	0.818	68%	0.675	S	S	*	*			cis	-156.4	164.1	-13.6	118.9	0	0	0	0	109.4
650	S	36.5	Very low	34.6	Very low	105 Å²	105	113 Å²	113	73%	0.734	69%	0.687	S	S	*	*			trans	-73.8	-157.7	174.7	-29.3	0	0	0	0	112.2
651	P	38.1	Very low	34.5	Very low	114 Å²	114	109.9 Å²	109.9	74%	0.74	69%	0.685	S	S	*	*			cis	-147.4	-169.8	23.1	43.5	-20.4	0	0	0	118.4
652	C	29.4	Very low	34.1	Very low	107 Å²	107	113 Å²	113	72%	0.723	70%	0.704	S	S	*	*			trans	88.5	114.7	147.3	-75.4	0	0	0	0	124.1
653	L	32.5	Very low	33.8	Very low	135 Å²	135	109.2 Å²	109.2	71%	0.707	71%	0.705	S	S	*	*			trans	84.3	104.4	132.8	-59.2	170.5	0	0	0	123.7
654	T	29.6	Very low	33.5	Very low	96 Å²	96	111.9 Å²	111.9	59%	0.589	71%	0.711	S	S	*	*				43.9	153.5	128.6	62.8	0	0	0	0	123.8	P511	P511-T654 CarbonylContact C-O 3.25Å; P511-T654 CarbonylContact O-C 3.15Å; P511-T654 VanDerWaalsContact O-O 3.11Å
655	P	33.4	Very low	33.4	Very low	75 Å²	75	112.7 Å²	112.7	49%	0.487	71%	0.708	S	S	.	*			cis	-120	-88.9	-37	38.7	-31.5	0	0	0	120	V510 P511 M512	V510-P655 WeakPolarHBondContact O-CD 3.28Å; V510-P655 WeakPolarHBondContact O-CG 3.49Å; P511-P655 CarbonylContact C-O 3.58Å; M512-P655 CarbonylContact C-O 3.59Å; M512-P655 PolarHBondContact N-O 3.05Å
656	T	29.7	Very low	33.2	Very low	87 Å²	87	113.3 Å²	113.3	53%	0.534	71%	0.707	S	S	.	*			trans	56.3	161.5	-170.6	46	0	0	0	0	123.4	V510 P511 M512	V510-T656 WeakPolarHBondContact O-CG2 3.2Å; V510-T656 PolarHBondContact O-N 2.74Å; P511-T656 WeakPolarHBondContact CA-OG1 3.23Å; P511-T656 HydrophobicContact CB-CG2 3.54Å; P511-T656 WeakPolarHBondContact CB-OG1 3.3Å; M512-T656 PolarHBondContact N-OG1 2.95Å
657	S	30.7	Very low	33.2	Very low	91 Å²	91	115 Å²	115	64%	0.636	71%	0.711	S	S	*	*			trans	-99.5	-165.4	179.1	59.5	0	0	0	0	115.3
658	D	30.1	Very low	33	Very low	145 Å²	145	120.2 Å²	120.2	78%	0.775	73%	0.725	S	S	*	*			trans	79.4	146.9	164.1	-54.8	1.4	0	0	0	117.8
659	S	30.9	Very low	33.3	Very low	101 Å²	101	118.6 Å²	118.6	71%	0.706	72%	0.72	S	S	*	*			cis	-160.5	159	-33.3	65.8	0	0	0	0	109.3
660	S	30.7	Very low	33.5	Very low	128 Å²	128	121.7 Å²	121.7	90%	0.895	72%	0.722	S	S	*	*			trans	64.4	146.7	176.9	82.1	0	0	0	0	116.9
661	G	32.3	Very low	33.9	Very low	63 Å²	63	122.7 Å²	122.7	65%	0.649	72%	0.718	S	S	*	*			cis	-162.6	153.8	-7.2	0	0	0	0	0	111.6	A663	G661-A663 PolarHBondContact O-N 2.91Å
662	L	31.4	Very low	33.8	Very low	186 Å²	186	123.2 Å²	123.2	97%	0.974	72%	0.715	S	S	*	*			trans	-75.9	59.5	-177.5	-69.3	172.3	0	0	0	112.7	L664	L662-L664 PolarHBondContact O-N 3.38Å; L662-L664 VanDerWaalsContact O-N 3.16Å
663	A	30.7	Very low	34.5	Very low	91 Å²	91	128.2 Å²	128.2	75%	0.752	72%	0.718	S	S	*	*			trans	-79.2	94.1	175	0	0	0	0	0	110.6	G661	G661-A663 PolarHBondContact O-N 2.91Å
664	L	37.1	Very low	34.8	Very low	153 Å²	153	128.3 Å²	128.3	80%	0.801	72%	0.72	S	S	*	*			trans	-49.7	127.2	170.4	-74.5	172.1	0	0	0	110	L662 V666	L662-L664 PolarHBondContact O-N 3.38Å; L662-L664 VanDerWaalsContact O-N 3.16Å; L664-V666 PolarHBondContact O-N 2.96Å
665	P	35.7	Very low	35.4	Very low	110 Å²	110	133.8 Å²	133.8	71%	0.714	73%	0.73	S	S	*	*			trans	-65.4	106.1	-179	25.2	-33.3	0	0	0	109.3	I667	P665-I667 VanDerWaalsContact C-N 3.28Å; P665-I667 PolarHBondContact O-N 2.8Å
666	V	33.2	Very low	35.8	Very low	120 Å²	120	137.4 Å²	137.4	73%	0.727	74%	0.74	S	S	*	*			trans	-68.2	87.7	-179.5	-175	0	0	0	0	109.2	L664 K668	L664-V666 PolarHBondContact O-N 2.96Å; V666-K668 HydrophobicContact CG1-CG 4.17Å; V666-K668 PolarHBondContact O-N 3.22Å
667	I	38.2	Very low	36.3	Very low	138 Å²	138	138.4 Å²	138.4	71%	0.708	75%	0.748	S	S	*	*			trans	-66.4	89.9	172.7	-58.3	-179.6	0	0	0	107.2	P665 I669	P665-I667 VanDerWaalsContact C-N 3.28Å; P665-I667 PolarHBondContact O-N 2.8Å; I667-I669 HydrophobicContact CG2-CG1 3.93Å; I667-I669 PolarHBondContact O-N 3.06Å
668	K	34.5	Very low	36.4	Very low	183 Å²	183	139.9 Å²	139.9	80%	0.796	76%	0.759	S	S	*	*			trans	-63.8	80.7	174.2	-73.6	177.6	176.8	171.3	0	109.6	V666 K670	V666-K668 HydrophobicContact CG1-CG 4.17Å; V666-K668 PolarHBondContact O-N 3.22Å; K668-K670 VanDerWaalsContact C-N 3.27Å; K668-K670 PolarHBondContact O-N 2.6Å
669	I	40	Very low	36.5	Very low	127 Å²	127	136.6 Å²	136.6	65%	0.651	76%	0.759	S	S	*	*			trans	-66.9	90.3	173.1	-56.7	-177	0	0	0	107.6	I667 I671	I667-I669 HydrophobicContact CG2-CG1 3.93Å; I667-I669 PolarHBondContact O-N 3.06Å; I669-I671 HydrophobicContact CG2-CG1 3.88Å; I669-I671 PolarHBondContact O-N 3.31Å
670	K	38.7	Very low	36.4	Very low	200 Å²	200	137.5 Å²	137.5	87%	0.87	76%	0.764	S	S	*	*			trans	-69	79.7	176.7	-169.9	166.1	-176.6	166.5	0	109.7	K668 N672	K668-K670 VanDerWaalsContact C-N 3.27Å; K668-K670 PolarHBondContact O-N 2.6Å; K670-N672 PolarHBondContact O-N 3.13Å
671	I	44	Very low	36.6	Very low	126 Å²	126	136.8 Å²	136.8	65%	0.646	76%	0.759	S	S	*	*			trans	-65.5	94.8	177.6	-56.8	-179.5	0	0	0	108.4	I669 R673	I669-I671 HydrophobicContact CG2-CG1 3.88Å; I669-I671 PolarHBondContact O-N 3.31Å; I671-R673 HydrophobicContact CG2-CG 4.27Å; I671-R673 PolarHBondContact O-N 3.11Å
672	N	38	Very low	37	Very low	126 Å²	126	142.7 Å²	142.7	67%	0.674	77%	0.767	S	S	*	*			trans	-64.5	96.5	175.5	-175.5	-20.4	0	0	0	109.8	K670 N674	K670-N672 PolarHBondContact O-N 3.13Å; N672-N674 VanDerWaalsContact C-N 3.29Å; N672-N674 PolarHBondContact O-N 3.39Å; N672-N674 VanDerWaalsContact OD1-CB 3.25Å; N672-N674 WeakPolarHBondContact OD1-CB 3.14Å; N672-N674 PolarHBondContact OD1-N 2.79Å; N672-N674 PolarHBondContact OD1-OD1 3Å
673	R	43.4	Very low	37.1	Very low	211 Å²	211	140.7 Å²	140.7	80%	0.796	76%	0.762	S	S	*	*			trans	-86.5	16.4	-179.1	-98.7	178.6	172.9	163.4	-2.4	113.5	I671 R675	I671-R673 HydrophobicContact CG2-CG 4.27Å; I671-R673 PolarHBondContact O-N 3.11Å; R673-R675 VanDerWaalsContact C-N 3.25Å; R673-R675 PolarHBondContact O-N 2.88Å
674	N	39	Very low	37	Very low	138 Å²	138	141.8 Å²	141.8	74%	0.738	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	75.1	-179.8	-68.1	30.4	0	0	0	112.6	N672	N672-N674 VanDerWaalsContact C-N 3.29Å; N672-N674 PolarHBondContact O-N 3.39Å; N672-N674 VanDerWaalsContact OD1-CB 3.25Å; N672-N674 WeakPolarHBondContact OD1-CB 3.14Å; N672-N674 PolarHBondContact OD1-N 2.79Å; N672-N674 PolarHBondContact OD1-OD1 3Å
675	R	42.8	Very low	37	Very low	210 Å²	210	139.4 Å²	139.4	79%	0.792	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-165.8	28.4	152.1	-108.2	170.8	-145.5	-82.7	1.8	113.7	R673	R673-R675 VanDerWaalsContact C-N 3.25Å; R673-R675 PolarHBondContact O-N 2.88Å
676	Q	40.9	Very low	36.9	Very low	151 Å²	151	135.1 Å²	135.1	71%	0.706	73%	0.725	S	S	*	*	S	Bend	trans	-85.9	143.3	150.7	-67.9	-71.5	41.9	0	0	108.7	S678	Q676-S678 PolarHBondContact O-N 3.28Å
677	P	40.2	Very low	37	Very low	108 Å²	108	137.3 Å²	137.3	70%	0.701	73%	0.727	S	S	*	*			trans	-73.1	97.6	159.5	30.9	-29.4	0	0	0	108.1	G679	P677-G679 PolarHBondContact O-N 3.2Å; P677-G679 VanDerWaalsContact O-N 3.15Å
678	S	32.5	Very low	37.2	Very low	123 Å²	123	132.9 Å²	132.9	86%	0.86	70%	0.702	S	S	*	*			trans	-73.8	98.4	172.4	49.9	0	0	0	0	109.1	Q676	Q676-S678 PolarHBondContact O-N 3.28Å
679	G	31.3	Very low	37.7	Very low	76 Å²	76	127 Å²	127	78%	0.784	68%	0.677	S	S	*	*			trans	-165	48.8	-170.2	0	0	0	0	0	113.8	P677	P677-G679 PolarHBondContact O-N 3.2Å; P677-G679 VanDerWaalsContact O-N 3.15Å
680	C	30.1	Very low	38	Very low	119 Å²	119	123.1 Å²	123.1	80%	0.804	66%	0.659	S	S	*	*			trans	-152.4	135.4	155.7	-164.2	0	0	0	0	107.7
681	S	35.2	Very low	38.5	Very low	113 Å²	113	116.5 Å²	116.5	79%	0.79	64%	0.635	S	S	*	*			trans	-102	150.4	-170.5	-67.4	0	0	0	0	112.1
682	K	39.8	Very low	38.5	Very low	188 Å²	188	118 Å²	118	82%	0.817	64%	0.637	S	S	*	*	S	Bend	trans	8.4	111.9	160.6	-59.9	-178.6	178.9	-176.1	0	117.4
683	T	33	Very low	38.9	Very low	143 Å²	143	115.6 Å²	115.6	88%	0.877	62%	0.624	S	S	*	*			trans	23.4	100	138.5	52.8	0	0	0	0	117.5
684	V	30.2	Very low	38.7	Very low	114 Å²	114	114.5 Å²	114.5	69%	0.691	63%	0.628	S	S	*	*			trans	-128.1	142.7	160	179.9	0	0	0	0	106.5	T686	V684-T686 WeakPolarHBondContact O-CG2 3.43Å
685	P	35.7	Very low	38.6	Very low	103 Å²	103	113.8 Å²	113.8	67%	0.669	63%	0.628	S	S	*	*			trans	-55.8	148.6	175.4	-27	36.6	0	0	0	112.8
686	T	34.5	Very low	38	Very low	20 Å²	20	107.5 Å²	107.5	12%	0.123	63%	0.629	C	S	.	*			trans	-125.1	91	-157.3	65.7	0	0	0	0	114.7	K281 L282 V684 Y688 H767	K281-T686 VanDerWaalsContact CE-OG1 3.24Å; K281-T686 WeakPolarHBondContact CE-OG1 3.33Å; K281-T686 PolarHBondContact NZ-O 3.4Å; K281-T686 PolarHBondContact NZ-OG1 2.75Å; L282-T686 HydrophobicContact CD2-CG2 3.91Å; L282-T686 WeakPolarHBondContact CD2-OG1 3.19Å; V684-T686 WeakPolarHBondContact O-CG2 3.43Å; T686-Y688 WeakPolarHBondContact O-CD1 3.48Å; T686-H767 HydrophobicContact CG2-CB 4.42Å
687	H	35.9	Very low	37.6	Very low	166 Å²	166	105.4 Å²	105.4	77%	0.769	63%	0.631	S	S	*	*			trans	-53.2	159.9	172.6	-158.8	-112.7	0	0	0	113.2	K281	K281-H687 PolarHBondContact NZ-O 2.99Å
688	Y	42.4	Very low	37.2	Very low	46 Å²	46	107.8 Å²	107.8	18%	0.18	64%	0.638	C	S	.	*			trans	-156.4	154.3	-174.8	50.2	-81.6	0	0	0	108	T686 V690 E828 V830	T686-Y688 WeakPolarHBondContact O-CD1 3.48Å; Y688-V690 HydrophobicContact CD2-CG2 3.97Å; Y688-V690 HydrophobicContact CE2-CG2 4.44Å; Y688-E828 WeakPolarHBondContact CE1-O 3.06Å; Y688-E828 VanDerWaalsContact CZ-O 3.31Å; Y688-E828 PolarHBondContact OH-O 3.37Å; Y688-E828 VanDerWaalsContact OH-O 3.08Å; Y688-E828 PolarHBondContact OH-OE2 3.03Å; Y688-V830 HydrophobicContact CD1-CB 3.77Å; Y688-V830 HydrophobicContact CD1-CG2 3.88Å; Y688-V830 HydrophobicContact CD2-CB 3.76Å; Y688-V830 HydrophobicContact CD2-CG1 4.13Å; Y688-V830 HydrophobicContact CD2-CG2 3.7Å; Y688-V830 HydrophobicContact CE1-CB 4.06Å; Y688-V830 HydrophobicContact CE1-CG2 3.62Å; Y688-V830 HydrophobicContact CE2-CB 3.99Å; Y688-V830 HydrophobicContact CE2-CG2 3.37Å; Y688-V830 HydrophobicContact CG-CB 3.66Å; Y688-V830 HydrophobicContact CG-CG1 4.33Å; Y688-V830 HydrophobicContact CG-CG2 3.96Å
689	E	44.5	Very low	37.3	Very low	60 Å²	60	108 Å²	108	28%	0.28	63%	0.625	S	S	.	*			trans	-128.3	120.6	-171.4	-170.2	-160.4	109.3	0	0	108.6	R763 K765	E689-R763 IonicContact OE1-CZ 3.81Å; E689-R763 IonicContact OE1-NE 3.78Å; E689-R763 IonicContact OE1-NH2 2.64Å; E689-R763 PolarHBondContact OE1-NH2 3.43Å; E689-K765 HydrophobicContact CB-CB 4.3Å; E689-K765 HydrophobicContact CB-CD 4.04Å; E689-K765 VanDerWaalsContact OE2-CD 3.23Å; E689-K765 WeakPolarHBondContact OE2-CD 3.23Å; E689-K765 IonicContact OE2-NZ 2.67Å; E689-K765 PolarHBondContact OE2-NZ 3.31Å
690	V	46.4	Very low	37.4	Very low	45 Å²	45	112.9 Å²	112.9	27%	0.273	63%	0.627	S	S	.	*			trans	-113.8	103.4	-171.2	-177.5	0	0	0	0	110.5	Y688 K692 V761 Y832	Y688-V690 HydrophobicContact CD2-CG2 3.97Å; Y688-V690 HydrophobicContact CE2-CG2 4.44Å; V690-K692 HydrophobicContact CG1-CG 3.95Å; V690-K692 PolarHBondContact O-N 3.34Å; V690-V761 HydrophobicContact CG1-CG1 3.97Å; V690-Y832 WeakPolarHBondContact CG2-OH 3.44Å
691	V	48	Very low	37.6	Very low	60 Å²	60	115 Å²	115	36%	0.364	63%	0.63	S	S	.	*			trans	-83.7	100.1	161.1	179.7	0	0	0	0	108.1	R763	V691-R763 HydrophobicContact CB-CG 4.42Å; V691-R763 HydrophobicContact CG2-CG 4.47Å; V691-R763 VanDerWaalsContact CG2-CZ 3.45Å
692	K	45.5	Very low	37.5	Very low	159 Å²	159	113.8 Å²	113.8	69%	0.691	63%	0.626	S	S	*	*	B	Isolated β-bridge	trans	-63.6	152.7	174.3	-66.7	-179.2	-179.4	173.8	0	110.4	V690 Q694	V690-K692 HydrophobicContact CG1-CG 3.95Å; V690-K692 PolarHBondContact O-N 3.34Å; K692-Q694 PolarHBondContact O-N 3.03Å
693	L	45.9	Very low	37	Very low	75 Å²	75	109.2 Å²	109.2	39%	0.393	62%	0.615	S	S	.	*			trans	-72.3	102.1	162.7	-77.1	165.1	0	0	0	109	T695 L760 R762	L693-T695 PolarHBondContact O-N 2.79Å; L693-L760 HydrophobicContact CD1-CB 4.05Å; L693-R762 HydrophobicContact CD2-CG 3.67Å; L693-R762 VanDerWaalsContact CD2-NE 3.27Å; L693-R762 HydrophobicContact CG-CG 4.34Å
694	Q	39	Very low	37	Very low	188 Å²	188	107.4 Å²	107.4	88%	0.879	61%	0.608	S	S	*	*			trans	-72.7	104	160.7	-74.8	-174.7	-3.9	0	0	108.7	K692 G696	K692-Q694 PolarHBondContact O-N 3.03Å; Q694-G696 PolarHBondContact O-N 3.22Å
695	T	37.2	Very low	37.2	Very low	122 Å²	122	107 Å²	107	75%	0.748	62%	0.616	S	S	*	*			trans	-80.6	92.2	162.6	44	0	0	0	0	108.2	L693 S697	L693-T695 PolarHBondContact O-N 2.79Å; T695-S697 PolarHBondContact O-N 3.34Å; T695-S697 VanDerWaalsContact O-N 3.13Å
696	G	30.6	Very low	37	Very low	78 Å²	78	107.3 Å²	107.3	80%	0.804	62%	0.621	S	S	*	*			trans	-62.9	111.2	-179.9	0	0	0	0	0	112	Q694	Q694-G696 PolarHBondContact O-N 3.22Å
697	S	32.3	Very low	36.9	Very low	107 Å²	107	115.7 Å²	115.7	75%	0.748	66%	0.656	S	S	*	*			trans	-132.9	63.5	179.9	62.3	0	0	0	0	111.3	T695 Q699	T695-S697 PolarHBondContact O-N 3.34Å; T695-S697 VanDerWaalsContact O-N 3.13Å; S697-Q699 PolarHBondContact O-N 2.8Å
698	N	30.6	Very low	36.7	Very low	158 Å²	158	113.7 Å²	113.7	85%	0.845	66%	0.655	S	S	*	*			trans	-71.2	116.2	171.8	-68	-5	0	0	0	109.8
699	Q	34.1	Very low	36.2	Very low	129 Å²	129	117.4 Å²	117.4	60%	0.603	68%	0.682	S	S	*	*			trans	-177	104.1	155.2	-108.2	171.3	131	0	0	113.4	S697	S697-Q699 PolarHBondContact O-N 2.8Å
700	Q	34.4	Very low	35.6	Very low	177 Å²	177	118.6 Å²	118.6	83%	0.827	70%	0.697	S	S	*	*			trans	176.1	150.7	153	-103.2	-177.6	-15.8	0	0	106.9
701	L	34.4	Very low	34.9	Very low	165 Å²	165	123.4 Å²	123.4	86%	0.864	72%	0.716	S	S	*	*			cis	-148.6	-174.6	-38.6	-145.1	67.5	0	0	0	107
702	A	32.1	Very low	34.3	Very low	86 Å²	86	127.2 Å²	127.2	71%	0.711	73%	0.73	S	S	*	*			trans	-127.8	159.1	-162.7	0	0	0	0	0	115.7
703	T	30.7	Very low	33.7	Very low	93 Å²	93	126.3 Å²	126.3	57%	0.571	73%	0.733	S	S	*	*			trans	-157.7	148	155.7	7	0	0	0	0	114.8
704	S	32.7	Very low	33	Very low	105 Å²	105	127.3 Å²	127.3	73%	0.734	75%	0.746	S	S	*	*			trans	76.8	85.6	148.9	-56.1	0	0	0	0	124.2
705	A	34	Very low	32.8	Very low	105 Å²	105	125.5 Å²	125.5	87%	0.868	74%	0.742	S	S	*	*				58.2	115.2	120.1	0	0	0	0	0	125
706	S	30.9	Very low	32.5	Very low	110 Å²	110	127.1 Å²	127.1	77%	0.769	74%	0.744	S	S	*	*				171.5	113.4	115.1	-165.6	0	0	0	0	109.8
707	K	33.8	Very low	32.6	Very low	196 Å²	196	126.7 Å²	126.7	85%	0.852	73%	0.733	S	S	*	*				53.9	131.2	89.3	-83.6	-175.7	176.8	-178.4	0	113.4
708	V	31.1	Very low	32.5	Very low	123 Å²	123	128.6 Å²	128.6	75%	0.745	74%	0.735	S	S	*	*			cis	-152.5	148.2	38.4	175.2	0	0	0	0	113
709	V	33.1	Very low	32.6	Very low	124 Å²	124	121.8 Å²	121.8	75%	0.752	70%	0.701	S	S	*	*			trans	65.6	122.3	162.5	157.8	0	0	0	0	117.7
710	S	29.9	Very low	32.4	Very low	85 Å²	85	122 Å²	122	59%	0.594	71%	0.706	S	S	*	*				84.8	138.9	56	-89.3	0	0	0	0	113.2
711	E	32.1	Very low	32.3	Very low	146 Å²	146	117.5 Å²	117.5	68%	0.682	69%	0.692	S	S	*	*			cis	-162.5	179.6	12.9	-137.2	158	-104.8	0	0	116.4
712	Q	35.2	Very low	32.1	Very low	140 Å²	140	115 Å²	115	65%	0.654	69%	0.689	S	S	*	*			trans	82.2	109	149.7	-75.8	159.3	46.6	0	0	121.2
713	N	33.4	Very low	32	Very low	141 Å²	141	114.8 Å²	114.8	75%	0.754	69%	0.687	S	S	*	*			trans	81	139.9	133.3	-59.3	-18.5	0	0	0	119.7
714	S	32.1	Very low	32	Very low	95 Å²	95	118.2 Å²	118.2	66%	0.664	70%	0.701	S	S	*	*			cis	-162.4	132	-2.5	30.7	0	0	0	0	115.9
715	L	34.1	Very low	32	Very low	151 Å²	151	121.6 Å²	121.6	79%	0.791	70%	0.702	S	S	*	*			trans	73.4	112.1	134.8	-56	171	0	0	0	123.8
716	I	31.9	Very low	31.8	Very low	155 Å²	155	122.5 Å²	122.5	80%	0.795	69%	0.692	S	S	*	*				93.3	148.9	116.1	-75.9	178.7	0	0	0	123.6
717	A	32.1	Very low	31.7	Very low	70 Å²	70	122.3 Å²	122.3	58%	0.579	68%	0.682	S	S	*	*			trans	97.8	78.1	157.2	0	0	0	0	0	121.1
718	N	29.5	Very low	31.6	Very low	146 Å²	146	120.9 Å²	120.9	78%	0.781	68%	0.682	S	S	*	*			trans	-41.6	150.7	144.5	-87.3	-43.6	0	0	0	114.5	T992	N718-T992 WeakPolarHBondContact O-CG2 3.43Å
719	A	32.6	Very low	31.6	Very low	16 Å²	16	122.9 Å²	122.9	13%	0.132	68%	0.683	C	S	.	*				163.3	145	102.6	0	0	0	0	0	115.6	T992 N993 L994	A719-T992 HydrophobicContact CB-CG2 3.92Å; A719-T992 CarbonylContact O-C 3.34Å; A719-N993 PolarHBondContact O-N 2.93Å; A719-N993 VanDerWaalsContact O-N 3.11Å; A719-L994 HydrophobicContact CB-CB 4.31Å; A719-L994 HydrophobicContact CB-CD2 3.48Å; A719-L994 VanDerWaalsContact CB-CD2 3.48Å; A719-L994 HydrophobicContact CB-CG 3.51Å
720	N	30.5	Very low	31.3	Very low	133 Å²	133	121.6 Å²	121.6	71%	0.711	68%	0.679	S	S	*	*			trans	-108.9	179.9	158.4	-73.5	-45.5	0	0	0	106.6	N993 N995	N720-N993 CarbonylContact C-O 3.49Å; N720-N993 CarbonylContact O-C 3.46Å; N720-N995 PolarHBondContact O-OD1 2.94Å
721	P	32.6	Very low	31.2	Very low	82 Å²	82	121.6 Å²	121.6	53%	0.532	67%	0.672	S	S	.	*			cis	-151.3	-165.8	22.7	44.5	-21.2	0	0	0	118
722	S	30.9	Very low	31.1	Very low	113 Å²	113	115.7 Å²	115.7	79%	0.79	65%	0.651	S	S	*	*			trans	-2.1	156.7	140.5	-57.4	0	0	0	0	120.3
723	A	29.8	Very low	30.9	Very low	81 Å²	81	115.5 Å²	115.5	67%	0.669	65%	0.653	S	S	*	*			cis	-178	-149.2	-11	0	0	0	0	0	108.2
724	L	30.6	Very low	30.6	Very low	165 Å²	165	118.9 Å²	118.9	86%	0.864	66%	0.655	S	S	*	*			trans	77.8	147.3	167.7	-53	-174.4	0	0	0	116.6
725	K	32.7	Very low	30.7	Very low	177 Å²	177	119.4 Å²	119.4	77%	0.77	66%	0.659	S	S	*	*			cis	-164.1	-173.5	-16.9	-176.7	166.7	178.5	179.7	0	109.1
726	L	30	Very low	30.6	Very low	123 Å²	123	118 Å²	118	64%	0.644	66%	0.659	S	S	*	*			trans	79.9	133.2	-178	-67	79.7	0	0	0	113.8
727	D	28	Very low	30.5	Very low	107 Å²	107	115.6 Å²	115.6	57%	0.572	66%	0.656	S	S	*	*			cis	-150.8	147.5	-0.3	-104.1	-26.5	0	0	0	113.6
728	I	32.7	Very low	30.7	Very low	165 Å²	165	117.6 Å²	117.6	85%	0.846	66%	0.663	S	S	*	*				178.4	150.3	117.6	-92.3	169	0	0	0	110.8
729	Q	29.1	Very low	30.8	Very low	166 Å²	166	115.8 Å²	115.8	78%	0.776	66%	0.662	S	S	*	*			trans	-147.3	129.1	-162.6	172.3	-153.3	63	0	0	111.4
730	C	27.8	Very low	30.9	Very low	97 Å²	97	120.4 Å²	120.4	66%	0.655	69%	0.691	S	S	*	*			trans	-170	156.7	162.6	60.8	0	0	0	0	111.4
731	N	28.5	Very low	31	Very low	85 Å²	85	118.2 Å²	118.2	46%	0.455	69%	0.686	S	S	.	*			cis	90.3	120.8	-0.6	-54.3	-19.7	0	0	0	115.4	K1062	N731-K1062 PolarHBondContact OD1-NZ 3.14Å
732	G	28.4	Very low	30.7	Very low	22 Å²	22	117.2 Å²	117.2	23%	0.227	68%	0.684	C	S	.	*			cis	178.5	153.4	-2.8	0	0	0	0	0	113.3	S1063	G732-S1063 PolarHBondContact N-OG 2.98Å; G732-S1063 WeakPolarHBondContact O-CB 3.14Å; G732-S1063 PolarHBondContact O-OG 2.92Å
733	L	31.2	Very low	30.6	Very low	135 Å²	135	114.9 Å²	114.9	71%	0.707	68%	0.678	S	S	*	*			trans	74.4	169.4	169.3	-58.1	159.7	0	0	0	114.6	S1061 S1063	L733-S1061 PolarHBondContact N-O 3.43Å; L733-S1063 VanDerWaalsContact O-CB 3.3Å; L733-S1063 WeakPolarHBondContact O-CB 3.25Å
734	R	27.9	Very low	31	Very low	212 Å²	212	116.4 Å²	116.4	80%	0.8	68%	0.684	S	S	*	*			cis	-164.4	125.2	-21.3	158.8	-172.4	-161	-146.8	9.8	109.6
735	S	33.3	Very low	31.4	Very low	106 Å²	106	113 Å²	113	74%	0.741	67%	0.674	S	S	*	*			trans	61	170.3	163.2	-53.2	0	0	0	0	118.6
736	P	33.1	Very low	32	Very low	121 Å²	121	114 Å²	114	79%	0.786	68%	0.678	S	S	*	*			cis	-120.5	-172.9	-13.9	34.5	-15.5	0	0	0	114.5
737	S	29.8	Very low	32.2	Very low	106 Å²	106	118.7 Å²	118.7	74%	0.741	69%	0.693	S	S	*	*			trans	-69.6	-175.7	165.6	52.1	0	0	0	0	112.7
738	P	36.4	Very low	32.3	Very low	112 Å²	112	117 Å²	117	73%	0.727	70%	0.701	S	S	*	*			cis	-135.2	179.5	5.4	37.1	-15.7	0	0	0	117.7
739	S	31	Very low	32.6	Very low	108 Å²	108	114.9 Å²	114.9	76%	0.755	70%	0.701	S	S	*	*			trans	-3	158.2	141.3	-41	0	0	0	0	119.6
740	P	34.2	Very low	32.5	Very low	113 Å²	113	112.5 Å²	112.5	73%	0.734	70%	0.698	S	S	*	*			cis	-121.6	-142.6	19.5	34.4	-11.2	0	0	0	110.9
741	S	32.4	Very low	32.9	Very low	87 Å²	87	112 Å²	112	61%	0.608	69%	0.694	S	S	*	*			cis	-160.4	-12.6	7.2	12.3	0	0	0	0	117.4	E96 G743	E96-S741 WeakPolarHBondContact OE1-CA 3.44Å; E96-S741 WeakPolarHBondContact OE1-CB 3.4Å; E96-S741 PolarHBondContact OE1-N 2.78Å; E96-S741 PolarHBondContact OE1-OG 2.75Å; S741-G743 PolarHBondContact O-N 3.26Å
742	A	26.3	Very low	33.8	Very low	60 Å²	60	116 Å²	116	50%	0.496	71%	0.71	S	S	.	*			trans	-48.2	99.9	-158.2	0	0	0	0	0	119.2	E96	E96-A742 HydrophobicContact CG-CB 3.88Å; E96-A742 PolarHBondContact OE1-N 3.14Å
743	G	29.6	Very low	34.4	Very low	65 Å²	65	119 Å²	119	67%	0.67	73%	0.728	S	S	*	*			trans	-107.7	163.7	146.8	0	0	0	0	0	110	S741	S741-G743 PolarHBondContact O-N 3.26Å
744	S	37.4	Very low	35.4	Very low	112 Å²	112	117.7 Å²	117.7	78%	0.783	72%	0.721	S	S	*	*			cis	-142.8	134.3	7.8	-157	0	0	0	0	108.4
745	S	40	Very low	36.6	Very low	93 Å²	93	111.1 Å²	111.1	65%	0.65	70%	0.701	S	S	*	*				53.2	106.5	95.7	-125.9	0	0	0	0	113.6
746	K	44.4	Very low	37.8	Very low	199 Å²	199	110.2 Å²	110.2	87%	0.865	69%	0.686	S	S	*	*				71.9	103.3	80.8	-73.6	-178.8	175	-179.5	0	115.7
747	K	35.3	Very low	39.4	Very low	222 Å²	222	109 Å²	109	97%	0.965	68%	0.681	S	S	*	*				-164.2	130.2	123.6	-106	-173.8	175.1	-173.3	0	105.7
748	G	28.7	Very low	41.7	Very low	71 Å²	71	104.6 Å²	104.6	73%	0.732	65%	0.651	S	S	*	*			cis	-160.7	-169.7	-10.3	0	0	0	0	0	109.7
749	S	39.1	Very low	44.1	Very low	120 Å²	120	103 Å²	103	84%	0.839	64%	0.641	S	S	*	*			trans	67.9	137.1	-177.9	-163.1	0	0	0	0	116.9
750	T	28.6	Very low	47.1	Very low	117 Å²	117	102.1 Å²	102.1	72%	0.718	63%	0.627	S	S	*	*			trans	-123.5	99.1	-176.8	-57.3	0	0	0	0	109.6
751	C	34.6	Very low	50	Low	85 Å²	85	97 Å²	97	57%	0.574	59%	0.594	S	S	*	*			trans	-110.9	-23.2	175.5	62.5	0	0	0	0	114.5	S753 L754	C751-S753 PolarHBondContact O-N 3.13Å; C751-S753 VanDerWaalsContact O-N 3.1Å; C751-L754 PolarHBondContact O-N 2.76Å
752	E	49.1	Very low	52.9	Low	171 Å²	171	100.9 Å²	100.9	80%	0.799	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-20.4	-174.7	-63.2	-168.9	139.7	0	0	114.2
753	S	39.7	Very low	56.2	Low	84 Å²	84	102.9 Å²	102.9	59%	0.587	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-26.8	180	-164.9	0	0	0	0	114.3	C751	C751-S753 PolarHBondContact O-N 3.13Å; C751-S753 VanDerWaalsContact O-N 3.1Å
754	L	51.6	Low	59.2	Low	108 Å²	108	99.8 Å²	99.8	57%	0.565	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-74.6	-29.2	-173.9	-87.1	155.7	0	0	0	112.7	C751 M756 S757	C751-L754 PolarHBondContact O-N 2.76Å; L754-M756 PolarHBondContact O-N 3.45Å; L754-S757 PolarHBondContact O-N 3.43Å
755	I	54.3	Low	61.9	Low	74 Å²	74	98.5 Å²	98.5	38%	0.379	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-66	-23.7	-177.2	-56.4	175.3	0	0	0	111.8	V798 T833	I755-V798 HydrophobicContact CG2-CG2 4.28Å; I755-V798 WeakPolarHBondContact O-CG2 3.35Å; I755-T833 HydrophobicContact CG2-CG2 4.09Å
756	M	58.5	Low	64.4	Low	86 Å²	86	94.4 Å²	94.4	42%	0.424	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-86.5	-18.1	-173	-153.6	63.9	56.2	0	0	114.3	L754 G758 Q796 Y846	L754-M756 PolarHBondContact O-N 3.45Å; M756-G758 VanDerWaalsContact C-N 3.33Å; M756-G758 PolarHBondContact O-N 3.21Å; M756-Q796 PolarHBondContact O-NE2 2.85Å; M756-Q796 PolarHBondContact SD-NE2 3.47Å; M756-Y846 HydrophobicContact CE-CD2 4.45Å; M756-Y846 HydrophobicContact CE-CE1 4.04Å; M756-Y846 HydrophobicContact CE-CE2 3.98Å; M756-Y846 HydrophobicContact SD-CE1 4.01Å
757	S	65.7	Low	66.4	Low	97 Å²	97	89.4 Å²	89.4	68%	0.678	49%	0.489	S	S	*	.			trans	-82	-5.2	-171.1	-58.2	0	0	0	0	114.8	L754	L754-S757 PolarHBondContact O-N 3.43Å
758	G	78.2	Confident	68.8	Low	12 Å²	12	81.2 Å²	81.2	12%	0.124	46%	0.455	C	S	.	.	S	Bend	trans	-71.7	139	179.9	0	0	0	0	0	113.1	M756 L760 R797	M756-G758 VanDerWaalsContact C-N 3.33Å; M756-G758 PolarHBondContact O-N 3.21Å; G758-L760 PolarHBondContact O-N 2.87Å; G758-R797 WeakPolarHBondContact CA-O 3.28Å
759	P	88.3	Confident	71.8	Confident	79 Å²	79	80.2 Å²	80.2	51%	0.513	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-62.1	139.1	-177	23.2	-31.9	0	0	0	112.1	R797	P759-R797 HydrophobicContact CG-CB 4.15Å; P759-R797 PolarHBondContact O-N 2.82Å
760	L	93.1	Very high	74.3	Confident	89 Å²	89	75.4 Å²	75.4	47%	0.466	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-70.1	130	178.4	-72.8	163.1	0	0	0	110.8	L693 G758 I795 Q796	L693-L760 HydrophobicContact CD1-CB 4.05Å; G758-L760 PolarHBondContact O-N 2.87Å; L760-I795 WeakPolarHBondContact CA-O 3.39Å; L760-Q796 HydrophobicContact CD2-CG 3.75Å; L760-Q796 HydrophobicContact CG-CG 4.49Å
761	V	94.1	Very high	77.4	Confident	5 Å²	5	72.3 Å²	72.3	3%	0.03	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-120.5	142.8	179	-60.3	0	0	0	0	110.9	V690 R763 I795 R797 Y832	V690-V761 HydrophobicContact CG1-CG1 3.97Å; V761-R763 WeakPolarHBondContact CG2-O 3.22Å; V761-I795 HydrophobicContact CG2-CB 3.8Å; V761-I795 HydrophobicContact CG2-CG2 3.62Å; V761-I795 PolarHBondContact N-O 2.54Å; V761-R797 HydrophobicContact CG1-CB 4.18Å; V761-Y832 HydrophobicContact CG2-CD1 3.91Å; V761-Y832 HydrophobicContact CG2-CE1 4.03Å
762	R	94.7	Very high	80.4	Confident	169 Å²	169	68.2 Å²	68.2	64%	0.638	36%	0.363	S	S	*	.	S	Bend	trans	-73.9	-32.8	176.5	-73.2	-174.8	175.4	161.9	2.8	112.7	L693 R773 V774	L693-R762 HydrophobicContact CD2-CG 3.67Å; L693-R762 VanDerWaalsContact CD2-NE 3.27Å; L693-R762 HydrophobicContact CG-CG 4.34Å; R762-R773 CarbonylContact O-C 3.52Å; R762-R773 VanDerWaalsContact O-CA 3.3Å; R762-R773 WeakPolarHBondContact O-CA 3.37Å; R762-V774 PolarHBondContact O-N 3.09Å
763	R	94.5	Very high	82.6	Confident	102 Å²	102	65.8 Å²	65.8	39%	0.385	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	148.9	177.8	78	-173.3	-167.5	-153.7	6.9	110.3	E689 V691 V761 V771 F772 R773	E689-R763 IonicContact OE1-CZ 3.81Å; E689-R763 IonicContact OE1-NE 3.78Å; E689-R763 IonicContact OE1-NH2 2.64Å; E689-R763 PolarHBondContact OE1-NH2 3.43Å; V691-R763 HydrophobicContact CB-CG 4.42Å; V691-R763 HydrophobicContact CG2-CG 4.47Å; V691-R763 VanDerWaalsContact CG2-CZ 3.45Å; V761-R763 WeakPolarHBondContact CG2-O 3.22Å; R763-V771 HydrophobicContact CB-CG1 4.4Å; R763-F772 CarbonylContact C-O 3.57Å; R763-F772 WeakPolarHBondContact CA-O 3.46Å; R763-R773 HydrophobicContact CB-CG 3.87Å
764	C	94	Very high	85.4	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	147.2	162.6	67.3	0	0	0	0	110.4	V771 F772 I795 Y832	C764-V771 WeakPolarHBondContact O-CA 3.49Å; C764-F772 PolarHBondContact N-O 3.04Å; C764-F772 PolarHBondContact O-N 3.25Å; C764-I795 HydrophobicContact CB-CG2 4.17Å; C764-Y832 HydrophobicContact CB-CD1 3.33Å; C764-Y832 HydrophobicContact CB-CD2 3.51Å; C764-Y832 HydrophobicContact CB-CE1 3.67Å; C764-Y832 HydrophobicContact CB-CE2 3.85Å; C764-Y832 HydrophobicContact CB-CG 3.22Å
765	K	93.4	Very high	87.5	Confident	86 Å²	86	60.4 Å²	60.4	37%	0.374	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129	179.8	-178.2	168.8	169.6	179.9	0	109.2	E689 V771	E689-K765 HydrophobicContact CB-CB 4.3Å; E689-K765 HydrophobicContact CB-CD 4.04Å; E689-K765 VanDerWaalsContact OE2-CD 3.23Å; E689-K765 WeakPolarHBondContact OE2-CD 3.23Å; E689-K765 IonicContact OE2-NZ 2.67Å; E689-K765 PolarHBondContact OE2-NZ 3.31Å; K765-V771 HydrophobicContact CB-CG2 4.23Å; K765-V771 HydrophobicContact CD-CG2 4.48Å; K765-V771 HydrophobicContact CG-CG2 4.06Å
766	L	91.7	Very high	89.5	Confident	7 Å²	7	58 Å²	58	4%	0.037	30%	0.304	C	S	.	.			trans	-103.1	158.8	-171.2	-148.1	73.4	0	0	0	109.7	K281 D768 G769 I770 F772 C849	K281-L766 HydrophobicContact CB-CD1 3.6Å; K281-L766 HydrophobicContact CB-CD2 4.07Å; K281-L766 HydrophobicContact CB-CG 3.42Å; K281-L766 VanDerWaalsContact CB-CG 3.42Å; K281-L766 HydrophobicContact CD-CD1 4.14Å; K281-L766 HydrophobicContact CD-CG 4.34Å; K281-L766 HydrophobicContact CG-CD1 4.06Å; K281-L766 HydrophobicContact CG-CG 4.24Å; L766-D768 VanDerWaalsContact C-N 3.25Å; L766-D768 WeakPolarHBondContact CB-OD1 3.47Å; L766-D768 PolarHBondContact O-N 3.42Å; L766-G769 WeakPolarHBondContact O-CA 3.28Å; L766-G769 PolarHBondContact O-N 3.42Å; L766-I770 HydrophobicContact CB-CB 4.26Å; L766-I770 WeakPolarHBondContact CB-O 3.21Å; L766-I770 HydrophobicContact CD2-CB 4.37Å; L766-I770 PolarHBondContact N-O 2.86Å; L766-F772 HydrophobicContact CD2-CE2 4.13Å; L766-C849 HydrophobicContact CD1-CB 4.03Å
767	H	86.4	Confident	91.3	Very high	94 Å²	94	54.6 Å²	54.6	44%	0.435	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-14.9	-168.6	68.1	39.6	0	0	0	114.1	Q280 K281 T686	Q280-H767 PolarHBondContact O-CE1 3.06Å; Q280-H767 PolarHBondContact O-ND1 2.85Å; K281-H767 WeakPolarHBondContact CA-NE2 3.09Å; K281-H767 HydrophobicContact CD-CB 3.83Å; K281-H767 HydrophobicContact CG-CB 4.35Å; K281-H767 VanDerWaalsContact CG-CD2 3.48Å; K281-H767 WeakPolarHBondContact CG-CD2 3.37Å; T686-H767 HydrophobicContact CG2-CB 4.42Å
768	D	87.3	Confident	92.9	Very high	49 Å²	49	50 Å²	50	26%	0.262	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	6.3	167.9	59.7	-4.7	0	0	0	112.7	S279 Q280 L766 I770	S279-D768 VanDerWaalsContact C-OD2 3.24Å; S279-D768 WeakPolarHBondContact CB-OD2 3.5Å; Q280-D768 PolarHBondContact N-OD2 2.82Å; L766-D768 VanDerWaalsContact C-N 3.25Å; L766-D768 WeakPolarHBondContact CB-OD1 3.47Å; L766-D768 PolarHBondContact O-N 3.42Å; D768-I770 PolarHBondContact O-N 3.24Å; D768-I770 WeakPolarHBondContact OD1-CB 3.4Å; D768-I770 PolarHBondContact OD1-N 3.18Å; D768-I770 VanDerWaalsContact OD2-CD1 3.24Å; D768-I770 WeakPolarHBondContact OD2-CD1 3.49Å; D768-I770 WeakPolarHBondContact OD2-CG1 3.43Å
769	G	89.9	Confident	93.8	Very high	50 Å²	50	49.4 Å²	49.4	52%	0.515	25%	0.25	S	C	.	.	S	Bend	trans	77.6	2.1	-176.2	0	0	0	0	0	114.2	L766 V771	L766-G769 WeakPolarHBondContact O-CA 3.28Å; L766-G769 PolarHBondContact O-N 3.42Å; G769-V771 PolarHBondContact O-N 3.32Å
770	I	91.9	Very high	94.2	Very high	20 Å²	20	45.7 Å²	45.7	10%	0.103	23%	0.226	C	C	.	.			trans	-67.1	131	174.2	-66.6	-174.3	0	0	0	108.8	L766 D768 F772	L766-I770 HydrophobicContact CB-CB 4.26Å; L766-I770 WeakPolarHBondContact CB-O 3.21Å; L766-I770 HydrophobicContact CD2-CB 4.37Å; L766-I770 PolarHBondContact N-O 2.86Å; D768-I770 PolarHBondContact O-N 3.24Å; D768-I770 WeakPolarHBondContact OD1-CB 3.4Å; D768-I770 PolarHBondContact OD1-N 3.18Å; D768-I770 VanDerWaalsContact OD2-CD1 3.24Å; D768-I770 WeakPolarHBondContact OD2-CD1 3.49Å; D768-I770 WeakPolarHBondContact OD2-CG1 3.43Å; I770-F772 HydrophobicContact CG2-CD1 4.39Å; I770-F772 HydrophobicContact CG2-CD2 4.03Å; I770-F772 HydrophobicContact CG2-CE1 3.9Å; I770-F772 HydrophobicContact CG2-CE2 3.52Å; I770-F772 HydrophobicContact CG2-CG 4.44Å; I770-F772 HydrophobicContact CG2-CZ 3.43Å; I770-F772 VanDerWaalsContact CG2-CZ 3.43Å
771	V	95	Very high	94.3	Very high	51 Å²	51	47.1 Å²	47.1	31%	0.309	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	121	177.5	177.3	0	0	0	0	108.5	R763 C764 K765 G769 R773 H854	R763-V771 HydrophobicContact CB-CG1 4.4Å; C764-V771 WeakPolarHBondContact O-CA 3.49Å; K765-V771 HydrophobicContact CB-CG2 4.23Å; K765-V771 HydrophobicContact CD-CG2 4.48Å; K765-V771 HydrophobicContact CG-CG2 4.06Å; G769-V771 PolarHBondContact O-N 3.32Å; V771-R773 HydrophobicContact CG1-CG 4.31Å; V771-H854 PolarHBondContact O-CE1 3.24Å; V771-H854 VanDerWaalsContact O-CE1 3.23Å
772	F	96.4	Very high	94.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.7	174	-68.6	-62.4	0	0	0	109.9	R763 C764 L766 I770 V778 I792 I795 C849 L852 H854	R763-F772 CarbonylContact C-O 3.57Å; R763-F772 WeakPolarHBondContact CA-O 3.46Å; C764-F772 PolarHBondContact N-O 3.04Å; C764-F772 PolarHBondContact O-N 3.25Å; L766-F772 HydrophobicContact CD2-CE2 4.13Å; I770-F772 HydrophobicContact CG2-CD1 4.39Å; I770-F772 HydrophobicContact CG2-CD2 4.03Å; I770-F772 HydrophobicContact CG2-CE1 3.9Å; I770-F772 HydrophobicContact CG2-CE2 3.52Å; I770-F772 HydrophobicContact CG2-CG 4.44Å; I770-F772 HydrophobicContact CG2-CZ 3.43Å; I770-F772 VanDerWaalsContact CG2-CZ 3.43Å; F772-V778 HydrophobicContact CD1-CG1 3.79Å; F772-V778 HydrophobicContact CE1-CG1 3.59Å; F772-I792 HydrophobicContact CB-CD1 3.64Å; F772-I792 HydrophobicContact CD1-CD1 3.98Å; F772-I792 HydrophobicContact CG-CD1 4.04Å; F772-I795 HydrophobicContact CB-CD1 4.4Å; F772-I795 VanDerWaalsContact O-CD1 3.27Å; F772-I795 WeakPolarHBondContact O-CD1 3.27Å; F772-C849 HydrophobicContact CD2-CB 3.94Å; F772-C849 HydrophobicContact CE2-CB 4.35Å; F772-C849 WeakPolarHBondContact CE2-O 3.16Å; F772-L852 HydrophobicContact CD2-CD1 4.4Å; F772-L852 HydrophobicContact CE1-CB 4Å; F772-L852 HydrophobicContact CE2-CB 3.89Å; F772-L852 HydrophobicContact CE2-CD1 4.46Å; F772-L852 HydrophobicContact CG-CD1 4.47Å; F772-L852 HydrophobicContact CZ-CB 3.55Å; F772-H854 AromaticContact CD1-CE1 3.75Å; F772-H854 AromaticContact CE1-CE1 3.76Å; F772-H854 AromaticContact CE1-ND1 3.77Å
773	R	96.8	Very high	93.9	Very high	120 Å²	120	45.8 Å²	45.8	45%	0.453	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	155.9	177	-56.6	164.5	-65.4	-177.8	8.3	110.6	R762 R763 V771 G775 D776	R762-R773 CarbonylContact O-C 3.52Å; R762-R773 VanDerWaalsContact O-CA 3.3Å; R762-R773 WeakPolarHBondContact O-CA 3.37Å; R763-R773 HydrophobicContact CB-CG 3.87Å; V771-R773 HydrophobicContact CG1-CG 4.31Å; R773-G775 PolarHBondContact O-N 2.94Å; R773-D776 VanDerWaalsContact CB-OD2 3.26Å; R773-D776 WeakPolarHBondContact CB-OD2 3.49Å; R773-D776 IonicContact CZ-OD1 3.2Å; R773-D776 IonicContact CZ-OD2 3.04Å; R773-D776 PolarHBondContact N-OD2 2.84Å; R773-D776 IonicContact NE-OD1 3.22Å; R773-D776 PolarHBondContact NE-OD1 2.92Å; R773-D776 IonicContact NE-OD2 2.82Å; R773-D776 PolarHBondContact NE-OD2 2.74Å; R773-D776 IonicContact NH2-OD1 3.42Å; R773-D776 PolarHBondContact NH2-OD1 3.29Å; R773-D776 IonicContact NH2-OD2 3.26Å; R773-D776 WeakPolarHBondContact O-CB 3.44Å; R773-D776 PolarHBondContact O-N 3.16Å
774	V	96.6	Very high	93.8	Very high	69 Å²	69	45.2 Å²	45.2	42%	0.418	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	125.6	166	176.4	0	0	0	0	108.9	R762 T793 I795	R762-V774 PolarHBondContact O-N 3.09Å; V774-T793 WeakPolarHBondContact CG1-O 3.49Å; V774-I795 HydrophobicContact CG2-CD1 4.48Å; V774-I795 HydrophobicContact CG2-CG1 4.15Å
775	G	96.2	Very high	93.6	Very high	10 Å²	10	51.2 Å²	51.2	10%	0.103	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	-17.2	-172.4	0	0	0	0	0	115.8	R773 I792 R885	R773-G775 PolarHBondContact O-N 2.94Å; G775-I792 WeakPolarHBondContact CA-O 3.49Å; G775-I792 PolarHBondContact N-O 3.41Å; G775-R885 WeakPolarHBondContact O-CD 3.35Å; G775-R885 PolarHBondContact O-NE 2.82Å; G775-R885 PolarHBondContact O-NH1 3.13Å; G775-R885 PolarHBondContact O-NH2 3.29Å
776	D	96.7	Very high	93.6	Very high	23 Å²	23	48.7 Å²	48.7	12%	0.123	28%	0.283	C	S	.	.			trans	-63.8	141	-179.7	-82.3	-35.5	0	0	0	111.6	R773 Q791 I792	R773-D776 VanDerWaalsContact CB-OD2 3.26Å; R773-D776 WeakPolarHBondContact CB-OD2 3.49Å; R773-D776 IonicContact CZ-OD1 3.2Å; R773-D776 IonicContact CZ-OD2 3.04Å; R773-D776 PolarHBondContact N-OD2 2.84Å; R773-D776 IonicContact NE-OD1 3.22Å; R773-D776 PolarHBondContact NE-OD1 2.92Å; R773-D776 IonicContact NE-OD2 2.82Å; R773-D776 PolarHBondContact NE-OD2 2.74Å; R773-D776 IonicContact NH2-OD1 3.42Å; R773-D776 PolarHBondContact NH2-OD1 3.29Å; R773-D776 IonicContact NH2-OD2 3.26Å; R773-D776 WeakPolarHBondContact O-CB 3.44Å; R773-D776 PolarHBondContact O-N 3.16Å; D776-Q791 CarbonylContact O-C 2.63Å; D776-Q791 WeakPolarHBondContact O-CA 3.32Å; D776-I792 HydrophobicContact CB-CD1 4.46Å; D776-I792 PolarHBondContact O-N 3.19Å
777	L	97.3	Very high	93.8	Very high	15 Å²	15	51.9 Å²	51.9	8%	0.079	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	133.9	176	-60.3	-154.8	0	0	0	111	A790 Q791 F839 F855 A878 A881 A882	L777-A790 CarbonylContact C-O 3.59Å; L777-A790 VanDerWaalsContact CA-O 3.27Å; L777-A790 WeakPolarHBondContact CA-O 2.89Å; L777-Q791 VanDerWaalsContact CD2-CA 3.49Å; L777-Q791 HydrophobicContact CD2-CB 3.31Å; L777-Q791 HydrophobicContact CD2-CG 3.63Å; L777-F839 HydrophobicContact CD1-CE2 4.02Å; L777-F839 HydrophobicContact CD1-CZ 3.81Å; L777-F839 HydrophobicContact CD2-CE2 4.05Å; L777-F839 HydrophobicContact CD2-CZ 3.88Å; L777-F855 VanDerWaalsContact C-CB 3.44Å; L777-F855 HydrophobicContact CB-CB 3.57Å; L777-F855 HydrophobicContact CB-CD1 4.44Å; L777-F855 HydrophobicContact CB-CG 4.18Å; L777-F855 VanDerWaalsContact O-CB 3.29Å; L777-F855 WeakPolarHBondContact O-CB 3.44Å; L777-F855 PolarHBondContact O-N 2.84Å; L777-A878 WeakPolarHBondContact CD1-O 3.48Å; L777-A881 HydrophobicContact CD1-CB 3.94Å; L777-A882 HydrophobicContact CD1-CB 3.85Å
778	V	97.6	Very high	94.2	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	170.3	-175.4	-57.6	0	0	0	0	111.7	F772 P789 A790 I792 L836 L852 F853	F772-V778 HydrophobicContact CD1-CG1 3.79Å; F772-V778 HydrophobicContact CE1-CG1 3.59Å; V778-P789 CarbonylContact O-C 3.5Å; V778-P789 WeakPolarHBondContact O-CA 3.08Å; V778-A790 HydrophobicContact CG2-CB 3.96Å; V778-A790 PolarHBondContact N-O 2.77Å; V778-A790 PolarHBondContact O-N 2.89Å; V778-I792 HydrophobicContact CG1-CD1 4.1Å; V778-I792 HydrophobicContact CG1-CG1 4.27Å; V778-L836 HydrophobicContact CG2-CD2 4.15Å; V778-L852 HydrophobicContact CB-CB 4.23Å; V778-L852 HydrophobicContact CG1-CB 4.23Å; V778-L852 HydrophobicContact CG1-CD1 4.49Å; V778-L852 HydrophobicContact CG2-CB 4.44Å; V778-L852 HydrophobicContact CG2-CD2 4.31Å; V778-F853 CarbonylContact C-O 3.53Å; V778-F853 VanDerWaalsContact CA-O 3.23Å; V778-F853 WeakPolarHBondContact CA-O 3.13Å
779	W	97.4	Very high	94.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	137	156.4	-63.2	88.4	0	0	0	107.2	Y787 P789 F853 F855 F862 V875	W779-Y787 HydrophobicContact CB-CD1 4.44Å; W779-P789 HydrophobicContact CD2-CB 4.48Å; W779-P789 HydrophobicContact CE3-CB 4.19Å; W779-P789 HydrophobicContact CH2-CB 4.49Å; W779-P789 HydrophobicContact CZ3-CB 4.21Å; W779-P789 HydrophobicContact CZ3-CG 4.39Å; W779-F853 HydrophobicContact CB-CB 4.3Å; W779-F853 PolarHBondContact N-O 3.28Å; W779-F853 PolarHBondContact O-N 3.09Å; W779-F855 AromaticContact CD1-CD2 3.97Å; W779-F855 HydrophobicContact CD2-CD2 4.15Å; W779-F855 HydrophobicContact CD2-CE2 4.46Å; W779-F855 AromaticContact CE2-CD2 3.48Å; W779-F855 VanDerWaalsContact CE2-CD2 3.48Å; W779-F855 AromaticContact CE2-CE2 3.61Å; W779-F855 HydrophobicContact CG-CD2 4.42Å; W779-F855 HydrophobicContact CH2-CE2 4.09Å; W779-F855 AromaticContact CZ2-CD2 3.81Å; W779-F855 HydrophobicContact CZ2-CD2 3.81Å; W779-F855 AromaticContact CZ2-CE2 3.39Å; W779-F855 HydrophobicContact CZ2-CE2 3.39Å; W779-F855 HydrophobicContact CZ2-CZ 4.35Å; W779-F855 AromaticContact NE1-CD2 3.33Å; W779-F855 VanDerWaalsContact NE1-CD2 3.33Å; W779-F855 AromaticContact NE1-CE2 3.87Å; W779-F855 PolarHBondContact NE1-O 3.16Å; W779-F862 HydrophobicContact CB-CD2 3.65Å; W779-F862 HydrophobicContact CB-CE2 3.96Å; W779-F862 AromaticContact CD1-CD2 3.64Å; W779-F862 HydrophobicContact CD2-CB 3.6Å; W779-F862 AromaticContact CD2-CD2 3.78Å; W779-F862 HydrophobicContact CD2-CD2 3.78Å; W779-F862 HydrophobicContact CD2-CG 4.11Å; W779-F862 HydrophobicContact CE3-CB 3.58Å; W779-F862 HydrophobicContact CE3-CD2 4.4Å; W779-F862 HydrophobicContact CE3-CG 4.33Å; W779-F862 HydrophobicContact CG-CB 4.21Å; W779-F862 AromaticContact CG-CD2 3.42Å; W779-F862 HydrophobicContact CG-CD2 3.42Å; W779-F862 VanDerWaalsContact CG-CD2 3.42Å; W779-F862 HydrophobicContact CG-CE2 4.16Å; W779-F862 HydrophobicContact CG-CG 4.2Å; W779-F862 HydrophobicContact CH2-CB 3.95Å; W779-F862 HydrophobicContact CZ2-CB 4Å; W779-F862 HydrophobicContact CZ3-CB 3.74Å; W779-V875 HydrophobicContact CH2-CG1 4.23Å; W779-V875 HydrophobicContact CH2-CG2 3.63Å; W779-V875 HydrophobicContact CZ3-CG2 3.94Å
780	S	96.7	Very high	95.1	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.007	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	175.3	167.3	176.9	0	0	0	0	108.8	Y787 W788	S780-Y787 CarbonylContact O-C 3.4Å; S780-Y787 WeakPolarHBondContact O-CA 3.28Å; S780-W788 PolarHBondContact N-O 2.82Å; S780-W788 VanDerWaalsContact N-O 3.17Å; S780-W788 PolarHBondContact O-N 2.77Å
781	K	95.6	Very high	95.4	Very high	118 Å²	118	44 Å²	44	51%	0.513	24%	0.243	S	C	.	.			trans	-142.3	99.9	-164.2	-179.7	-151.1	166.3	-159.6	0	111	Y787	K781-Y787 HydrophobicContact CB-CD1 3.78Å; K781-Y787 HydrophobicContact CB-CD2 4.49Å; K781-Y787 HydrophobicContact CB-CE1 3.83Å; K781-Y787 HydrophobicContact CB-CG 4.13Å; K781-Y787 HydrophobicContact CD-CE1 4.48Å; K781-Y787 HydrophobicContact CD-CE2 4.04Å; K781-Y787 HydrophobicContact CG-CD2 4.43Å; K781-Y787 HydrophobicContact CG-CE2 4.43Å; K781-Y787 HydrophobicContact CG-CG 4.5Å
782	L	91.6	Very high	95.5	Very high	30 Å²	30	41.6 Å²	41.6	16%	0.157	23%	0.228	C	C	.	.			trans	-62.4	158.3	168.7	-42	79.9	0	0	0	111.6	G784 W785 W788 W838 W841	L782-G784 PolarHBondContact O-N 3.46Å; L782-W785 HydrophobicContact CB-CB 4.11Å; L782-W785 HydrophobicContact CB-CG 4.27Å; L782-W785 HydrophobicContact CD1-CB 3.96Å; L782-W785 HydrophobicContact CD1-CG 4.23Å; L782-W785 PolarHBondContact O-N 3.08Å; L782-W788 HydrophobicContact CD1-CB 4.47Å; L782-W838 HydrophobicContact CD1-CD2 3.8Å; L782-W838 HydrophobicContact CD1-CE3 4.24Å; L782-W838 HydrophobicContact CD1-CH2 3.85Å; L782-W838 HydrophobicContact CD1-CZ2 3.39Å; L782-W838 HydrophobicContact CD1-CZ3 4.24Å; L782-W838 HydrophobicContact CD2-CZ2 4.23Å; L782-W838 HydrophobicContact CG-CH2 4.22Å; L782-W838 HydrophobicContact CG-CZ2 3.43Å; L782-W838 VanDerWaalsContact CG-CZ2 3.43Å; L782-W841 HydrophobicContact CD1-CZ3 4.06Å; L782-W841 HydrophobicContact CD2-CH2 3.4Å; L782-W841 VanDerWaalsContact CD2-CH2 3.4Å; L782-W841 HydrophobicContact CD2-CZ2 4.36Å; L782-W841 HydrophobicContact CD2-CZ3 3.5Å; L782-W841 VanDerWaalsContact CD2-CZ3 3.5Å; L782-W841 HydrophobicContact CG-CZ3 4.45Å
783	S	89.3	Confident	95.5	Very high	116 Å²	116	44 Å²	44	81%	0.811	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	130.1	165.9	46.6	0	0	0	0	111.5	W785	S783-W785 PolarHBondContact O-N 3.05Å
784	G	92	Very high	95.5	Very high	91 Å²	91	39.6 Å²	39.6	94%	0.938	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.5	-16.7	-179.7	0	0	0	0	0	116.7	L782	L782-G784 PolarHBondContact O-N 3.46Å
785	W	90.6	Very high	95.6	Very high	125 Å²	125	36.4 Å²	36.4	47%	0.473	21%	0.211	S	C	.	.	S	Bend	trans	-97.6	164.1	-177.2	-68.4	92.9	0	0	0	112.2	L782 S783 W788 W841	L782-W785 HydrophobicContact CB-CB 4.11Å; L782-W785 HydrophobicContact CB-CG 4.27Å; L782-W785 HydrophobicContact CD1-CB 3.96Å; L782-W785 HydrophobicContact CD1-CG 4.23Å; L782-W785 PolarHBondContact O-N 3.08Å; S783-W785 PolarHBondContact O-N 3.05Å; W785-W788 HydrophobicContact CE3-CE3 4.23Å; W785-W788 AromaticContact CE3-CZ3 3.95Å; W785-W788 HydrophobicContact CE3-CZ3 3.95Å; W785-W788 HydrophobicContact CZ3-CZ3 4.11Å; W785-W841 HydrophobicContact CD2-CH2 4.24Å; W785-W841 AromaticContact CD2-CZ3 3.95Å; W785-W841 HydrophobicContact CD2-CZ3 3.95Å; W785-W841 AromaticContact CE2-CH2 3.62Å; W785-W841 AromaticContact CE2-CZ3 3.79Å; W785-W841 HydrophobicContact CE3-CZ3 4.39Å; W785-W841 HydrophobicContact CG-CZ3 4.29Å; W785-W841 AromaticContact CZ2-CH2 3.87Å; W785-W841 HydrophobicContact CZ2-CH2 3.87Å; W785-W841 HydrophobicContact CZ2-CZ3 4.14Å; W785-W841 AromaticContact NE1-CH2 3.54Å; W785-W841 AromaticContact NE1-CZ3 3.98Å
786	P	92.3	Very high	95.5	Very high	33 Å²	33	36.5 Å²	36.5	21%	0.214	21%	0.209	C	C	.	.			trans	-66.2	174.3	163.6	35.7	-41.2	0	0	0	110.7	W788 F871	P786-W788 HydrophobicContact CG-CE3 3.82Å; P786-W788 HydrophobicContact CG-CZ3 4.35Å; P786-W788 PolarHBondContact O-N 3Å; P786-F871 HydrophobicContact CB-CE2 4.31Å; P786-F871 HydrophobicContact CG-CD2 3.95Å; P786-F871 HydrophobicContact CG-CE2 3.91Å
787	Y	95.4	Very high	95.4	Very high	75 Å²	75	36.7 Å²	36.7	29%	0.294	21%	0.208	S	C	.	.			trans	-53.5	124.1	151.8	-71.6	-90.3	0	0	0	109	W779 S780 K781 F853 F862 F871	W779-Y787 HydrophobicContact CB-CD1 4.44Å; S780-Y787 CarbonylContact O-C 3.4Å; S780-Y787 WeakPolarHBondContact O-CA 3.28Å; K781-Y787 HydrophobicContact CB-CD1 3.78Å; K781-Y787 HydrophobicContact CB-CD2 4.49Å; K781-Y787 HydrophobicContact CB-CE1 3.83Å; K781-Y787 HydrophobicContact CB-CG 4.13Å; K781-Y787 HydrophobicContact CD-CE1 4.48Å; K781-Y787 HydrophobicContact CD-CE2 4.04Å; K781-Y787 HydrophobicContact CG-CD2 4.43Å; K781-Y787 HydrophobicContact CG-CE2 4.43Å; K781-Y787 HydrophobicContact CG-CG 4.5Å; Y787-F853 AromaticContact CE1-CD2 3.91Å; Y787-F853 HydrophobicContact CE1-CD2 3.91Å; Y787-F853 AromaticContact CE1-CE2 3.83Å; Y787-F853 HydrophobicContact CE1-CE2 3.83Å; Y787-F862 HydrophobicContact CD1-CD1 4.04Å; Y787-F862 HydrophobicContact CD1-CD2 4.35Å; Y787-F862 AromaticContact CD1-CE1 3.68Å; Y787-F862 HydrophobicContact CD1-CE1 3.68Å; Y787-F862 AromaticContact CD1-CE2 4Å; Y787-F862 HydrophobicContact CD1-CE2 4Å; Y787-F862 HydrophobicContact CD1-CG 4.36Å; Y787-F862 AromaticContact CD1-CZ 3.65Å; Y787-F862 HydrophobicContact CD1-CZ 3.65Å; Y787-F862 AromaticContact CD2-CD1 3.5Å; Y787-F862 HydrophobicContact CD2-CD1 3.5Å; Y787-F862 VanDerWaalsContact CD2-CD1 3.5Å; Y787-F862 AromaticContact CD2-CE1 3.37Å; Y787-F862 HydrophobicContact CD2-CE1 3.37Å; Y787-F862 HydrophobicContact CD2-CG 4.42Å; Y787-F862 HydrophobicContact CD2-CZ 4.2Å; Y787-F862 AromaticContact CE1-CE1 3.8Å; Y787-F862 HydrophobicContact CE1-CE1 3.8Å; Y787-F862 HydrophobicContact CE1-CE2 4.31Å; Y787-F862 AromaticContact CE1-CZ 3.63Å; Y787-F862 HydrophobicContact CE1-CZ 3.63Å; Y787-F862 HydrophobicContact CE2-CD1 4.12Å; Y787-F862 AromaticContact CE2-CE1 3.51Å; Y787-F862 HydrophobicContact CE2-CE1 3.51Å; Y787-F862 HydrophobicContact CE2-CZ 4.18Å; Y787-F862 AromaticContact CG-CD1 3.45Å; Y787-F862 HydrophobicContact CG-CD1 3.45Å; Y787-F862 VanDerWaalsContact CG-CD1 3.45Å; Y787-F862 HydrophobicContact CG-CD2 4.38Å; Y787-F862 AromaticContact CG-CE1 3.46Å; Y787-F862 HydrophobicContact CG-CE1 3.46Å; Y787-F862 VanDerWaalsContact CG-CE1 3.46Å; Y787-F862 HydrophobicContact CG-CE2 4.37Å; Y787-F862 AromaticContact CG-CG 3.94Å; Y787-F862 HydrophobicContact CG-CG 3.94Å; Y787-F862 AromaticContact CG-CZ 3.94Å; Y787-F862 HydrophobicContact CG-CZ 3.94Å; Y787-F862 AromaticContact CZ-CE1 3.72Å; Y787-F862 AromaticContact CZ-CZ 3.91Å; Y787-F871 WeakPolarHBondContact O-CE2 3.32Å
788	W	96.2	Very high	94.9	Very high	13 Å²	13	36.8 Å²	36.8	5%	0.049	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.4	-178.5	-158.7	-82.5	0	0	0	107.4	S780 L782 W785 P786 W838 F839 V870 F871 A874	S780-W788 PolarHBondContact N-O 2.82Å; S780-W788 VanDerWaalsContact N-O 3.17Å; S780-W788 PolarHBondContact O-N 2.77Å; L782-W788 HydrophobicContact CD1-CB 4.47Å; W785-W788 HydrophobicContact CE3-CE3 4.23Å; W785-W788 AromaticContact CE3-CZ3 3.95Å; W785-W788 HydrophobicContact CE3-CZ3 3.95Å; W785-W788 HydrophobicContact CZ3-CZ3 4.11Å; P786-W788 HydrophobicContact CG-CE3 3.82Å; P786-W788 HydrophobicContact CG-CZ3 4.35Å; P786-W788 PolarHBondContact O-N 3Å; W788-W838 HydrophobicContact CB-CD2 4.35Å; W788-W838 HydrophobicContact CB-CE3 3.72Å; W788-W838 HydrophobicContact CB-CZ3 4.17Å; W788-W838 AromaticContact CD1-CE3 3.92Å; W788-W838 HydrophobicContact CG-CE3 4.18Å; W788-F839 PolarHBondContact NE1-O 3.29Å; W788-V870 HydrophobicContact CH2-CB 4.46Å; W788-V870 HydrophobicContact CH2-CG1 4.35Å; W788-V870 HydrophobicContact CZ2-CG1 4.13Å; W788-F871 HydrophobicContact CD2-CD2 4.28Å; W788-F871 AromaticContact CE3-CD2 3.72Å; W788-F871 HydrophobicContact CE3-CD2 3.72Å; W788-F871 HydrophobicContact CE3-CE2 4.49Å; W788-F871 VanDerWaalsContact CH2-CA 3.49Å; W788-F871 HydrophobicContact CH2-CB 3.78Å; W788-F871 HydrophobicContact CH2-CD2 4.34Å; W788-F871 HydrophobicContact CZ3-CB 3.85Å; W788-F871 AromaticContact CZ3-CD2 3.75Å; W788-F871 HydrophobicContact CZ3-CD2 3.75Å; W788-F871 HydrophobicContact CZ3-CG 4.31Å; W788-A874 HydrophobicContact CZ2-CB 3.79Å
789	P	97.5	Very high	94	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	146.7	-179	32.5	-37.2	0	0	0	110.5	V778 W779 W838 F839 F855 A874 V875 A878	V778-P789 CarbonylContact O-C 3.5Å; V778-P789 WeakPolarHBondContact O-CA 3.08Å; W779-P789 HydrophobicContact CD2-CB 4.48Å; W779-P789 HydrophobicContact CE3-CB 4.19Å; W779-P789 HydrophobicContact CH2-CB 4.49Å; W779-P789 HydrophobicContact CZ3-CB 4.21Å; W779-P789 HydrophobicContact CZ3-CG 4.39Å; P789-W838 WeakPolarHBondContact O-CA 3.23Å; P789-F839 HydrophobicContact CB-CD2 4.2Å; P789-F839 HydrophobicContact CG-CB 4.31Å; P789-F839 HydrophobicContact CG-CD2 4.36Å; P789-F839 PolarHBondContact O-N 2.85Å; P789-F839 VanDerWaalsContact O-N 3.14Å; P789-F855 HydrophobicContact CB-CD2 3.76Å; P789-F855 HydrophobicContact CB-CE2 3.58Å; P789-A874 HydrophobicContact CG-CB 4.01Å; P789-V875 HydrophobicContact CG-CG2 3.89Å; P789-A878 HydrophobicContact CB-CB 3.48Å; P789-A878 VanDerWaalsContact CB-CB 3.48Å; P789-A878 HydrophobicContact CG-CB 3.82Å
790	A	97.8	Very high	92.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	169.6	178.8	0	0	0	0	0	114.2	L777 V778 L836 H837 W838 L1356	L777-A790 CarbonylContact C-O 3.59Å; L777-A790 VanDerWaalsContact CA-O 3.27Å; L777-A790 WeakPolarHBondContact CA-O 2.89Å; V778-A790 HydrophobicContact CG2-CB 3.96Å; V778-A790 PolarHBondContact N-O 2.77Å; V778-A790 PolarHBondContact O-N 2.89Å; A790-L836 HydrophobicContact CB-CB 4.31Å; A790-L836 HydrophobicContact CB-CD1 4.45Å; A790-H837 CarbonylContact C-O 3.07Å; A790-H837 VanDerWaalsContact C-O 3.25Å; A790-H837 WeakPolarHBondContact CA-O 3.44Å; A790-H837 VanDerWaalsContact CB-O 3.23Å; A790-H837 WeakPolarHBondContact CB-O 3.08Å; A790-W838 HydrophobicContact CB-CE3 3.82Å; A790-W838 HydrophobicContact CB-CZ3 3.98Å; A790-L1356 HydrophobicContact CB-CD1 3.9Å
791	Q	97.6	Very high	90.3	Very high	35 Å²	35	43.2 Å²	43.2	16%	0.164	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	152.3	168.7	173.7	176	-57.1	0	0	109	D776 L777 L836 H837 F839 R885	D776-Q791 CarbonylContact O-C 2.63Å; D776-Q791 WeakPolarHBondContact O-CA 3.32Å; L777-Q791 VanDerWaalsContact CD2-CA 3.49Å; L777-Q791 HydrophobicContact CD2-CB 3.31Å; L777-Q791 HydrophobicContact CD2-CG 3.63Å; Q791-L836 CarbonylContact O-C 3.58Å; Q791-L836 WeakPolarHBondContact O-CA 3.29Å; Q791-H837 HydrophobicContact CB-CB 3.73Å; Q791-H837 HydrophobicContact CG-CB 4.47Å; Q791-H837 PolarHBondContact N-O 2.86Å; Q791-H837 PolarHBondContact O-N 3.33Å; Q791-F839 HydrophobicContact CB-CE2 4.3Å; Q791-F839 HydrophobicContact CB-CZ 4.27Å; Q791-R885 VanDerWaalsContact NE2-NH2 3.18Å
792	I	97.8	Very high	88.3	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	130.2	168.3	-62.1	176.7	0	0	0	109.3	F772 G775 D776 V778 S794 I795 A834 L836 L852	F772-I792 HydrophobicContact CB-CD1 3.64Å; F772-I792 HydrophobicContact CD1-CD1 3.98Å; F772-I792 HydrophobicContact CG-CD1 4.04Å; G775-I792 WeakPolarHBondContact CA-O 3.49Å; G775-I792 PolarHBondContact N-O 3.41Å; D776-I792 HydrophobicContact CB-CD1 4.46Å; D776-I792 PolarHBondContact O-N 3.19Å; V778-I792 HydrophobicContact CG1-CD1 4.1Å; V778-I792 HydrophobicContact CG1-CG1 4.27Å; I792-S794 WeakPolarHBondContact CG2-O 3.39Å; I792-I795 HydrophobicContact CG2-CD1 4.06Å; I792-I795 HydrophobicContact CG2-CG1 3.53Å; I792-A834 HydrophobicContact CG1-CB 4.46Å; I792-A834 HydrophobicContact CG2-CB 4.25Å; I792-L836 HydrophobicContact CG1-CD2 3.81Å; I792-L852 HydrophobicContact CD1-CD1 4Å; I792-L852 HydrophobicContact CG1-CD1 4.44Å
793	T	97	Very high	86.4	Confident	51 Å²	51	50 Å²	50	31%	0.313	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-34.3	177.7	48.4	0	0	0	0	112.5	V774 C835 L836 H837	V774-T793 WeakPolarHBondContact CG1-O 3.49Å; T793-C835 PolarHBondContact N-O 3.19Å; T793-C835 VanDerWaalsContact OG1-C 3.26Å; T793-C835 WeakPolarHBondContact OG1-CB 3.32Å; T793-C835 PolarHBondContact OG1-O 3.48Å; T793-C835 VanDerWaalsContact OG1-O 3.07Å; T793-C835 PolarHBondContact OG1-SG 3.33Å; T793-L836 PolarHBondContact OG1-O 2.83Å; T793-H837 HydrophobicContact CG2-CB 3.87Å
794	S	97	Very high	84.7	Confident	27 Å²	27	49.1 Å²	49.1	19%	0.189	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	161	169.1	69.2	0	0	0	0	110.6	I792 A834 C835	I792-S794 WeakPolarHBondContact CG2-O 3.39Å; S794-A834 CarbonylContact O-C 3.59Å; S794-A834 WeakPolarHBondContact O-CA 3.28Å; S794-C835 PolarHBondContact N-O 2.95Å; S794-C835 PolarHBondContact O-N 2.79Å; S794-C835 WeakPolarHBondContact OG-CB 3.23Å
795	I	97.3	Very high	82.3	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.7	171.7	-52.2	174.5	0	0	0	107.2	L760 V761 C764 F772 V774 I792 Y832	L760-I795 WeakPolarHBondContact CA-O 3.39Å; V761-I795 HydrophobicContact CG2-CB 3.8Å; V761-I795 HydrophobicContact CG2-CG2 3.62Å; V761-I795 PolarHBondContact N-O 2.54Å; C764-I795 HydrophobicContact CB-CG2 4.17Å; F772-I795 HydrophobicContact CB-CD1 4.4Å; F772-I795 VanDerWaalsContact O-CD1 3.27Å; F772-I795 WeakPolarHBondContact O-CD1 3.27Å; V774-I795 HydrophobicContact CG2-CD1 4.48Å; V774-I795 HydrophobicContact CG2-CG1 4.15Å; I792-I795 HydrophobicContact CG2-CD1 4.06Å; I792-I795 HydrophobicContact CG2-CG1 3.53Å; I795-Y832 HydrophobicContact CG2-CD1 4.01Å; I795-Y832 HydrophobicContact CG2-CG 4.29Å
796	Q	95.1	Very high	79.7	Confident	13 Å²	13	50.5 Å²	50.5	6%	0.061	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127	175.3	-70.8	162.1	-37.7	0	0	108.6	M756 L760 V798 Y832 T833	M756-Q796 PolarHBondContact O-NE2 2.85Å; M756-Q796 PolarHBondContact SD-NE2 3.47Å; L760-Q796 HydrophobicContact CD2-CG 3.75Å; L760-Q796 HydrophobicContact CG-CG 4.49Å; Q796-V798 HydrophobicContact CB-CG2 4.44Å; Q796-V798 PolarHBondContact O-N 3.22Å; Q796-Y832 CarbonylContact O-C 2.63Å; Q796-Y832 WeakPolarHBondContact O-CA 3.32Å; Q796-T833 PolarHBondContact N-O 2.72Å; Q796-T833 PolarHBondContact O-N 3.11Å
797	R	93.5	Very high	76.9	Confident	26 Å²	26	54.4 Å²	54.4	10%	0.098	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	96.5	167.8	-177.6	-166.1	168.8	-174.1	-5.2	107.4	G758 P759 V761 E828 V830 Y832	G758-R797 WeakPolarHBondContact CA-O 3.28Å; P759-R797 HydrophobicContact CG-CB 4.15Å; P759-R797 PolarHBondContact O-N 2.82Å; V761-R797 HydrophobicContact CG1-CB 4.18Å; R797-E828 IonicContact CZ-OE2 2.78Å; R797-E828 VanDerWaalsContact NH2-CD 3.34Å; R797-E828 IonicContact NH2-OE1 3.74Å; R797-E828 IonicContact NH2-OE2 3.44Å; R797-E828 PolarHBondContact NH2-OE2 3.19Å; R797-V830 HydrophobicContact CG-CG1 3.43Å; R797-V830 VanDerWaalsContact CG-CG1 3.43Å; R797-Y832 HydrophobicContact CB-CD1 4.22Å; R797-Y832 HydrophobicContact CB-CE1 3.91Å; R797-Y832 HydrophobicContact CG-CE1 3.92Å
798	V	87	Confident	74.5	Confident	18 Å²	18	55.8 Å²	55.8	11%	0.109	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	139.3	172.9	174.8	0	0	0	0	108.3	I755 Q796 C831	I755-V798 HydrophobicContact CG2-CG2 4.28Å; I755-V798 WeakPolarHBondContact O-CG2 3.35Å; Q796-V798 HydrophobicContact CB-CG2 4.44Å; Q796-V798 PolarHBondContact O-N 3.22Å; V798-C831 PolarHBondContact N-O 2.88Å; V798-C831 PolarHBondContact O-N 3.19Å
799	V	78.4	Confident	71.9	Confident	33 Å²	33	61.1 Å²	61.1	20%	0.2	34%	0.339	C	S	.	.			trans	-132.8	104.9	-179.4	-96.7	0	0	0	0	105.4	E284 P285 N286 V830	E284-V799 CarbonylContact O-C 2.96Å; E284-V799 WeakPolarHBondContact O-CA 3.13Å; P285-V799 VanDerWaalsContact C-CB 3.45Å; P285-V799 VanDerWaalsContact O-CB 3.31Å; P285-V799 WeakPolarHBondContact O-CB 2.98Å; P285-V799 WeakPolarHBondContact O-CG1 3.22Å; N286-V799 HydrophobicContact CB-CB 3.7Å; N286-V799 HydrophobicContact CB-CG1 3.94Å; N286-V799 HydrophobicContact CB-CG2 3.5Å; V799-V830 HydrophobicContact CG1-CB 4.49Å; V799-V830 HydrophobicContact CG1-CG1 4.36Å; V799-V830 HydrophobicContact CG1-CG2 3.77Å
800	A	64.2	Low	69.1	Low	32 Å²	32	67.4 Å²	67.4	26%	0.264	37%	0.368	S	S	.	.			trans	-101.2	114.3	-175.8	0	0	0	0	0	108.8	T283 E284	T283-A800 HydrophobicContact CG2-CB 3.7Å; E284-A800 CarbonylContact C-O 2.86Å; E284-A800 WeakPolarHBondContact CA-O 3.31Å; E284-A800 PolarHBondContact O-N 3.49Å
801	N	52.3	Low	66.4	Low	71 Å²	71	73.9 Å²	73.9	38%	0.38	41%	0.408	S	S	.	.			trans	-66.7	149.3	-176.6	-56.3	-19.1	0	0	0	109.6	P285 N286 N803 D804	P285-N801 WeakPolarHBondContact CA-OD1 3.4Å; P285-N801 HydrophobicContact CB-CB 4.28Å; P285-N801 VanDerWaalsContact CB-OD1 3.3Å; P285-N801 WeakPolarHBondContact CB-OD1 3.49Å; N286-N801 PolarHBondContact N-OD1 3.43Å; N801-N803 PolarHBondContact O-N 2.77Å; N801-D804 PolarHBondContact O-N 3.43Å
802	E	54.3	Low	63.8	Low	138 Å²	138	83.2 Å²	83.2	65%	0.645	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-54.8	-21.7	177	-75.1	-130.5	107	0	0	113	E284 D804 L805	E284-E802 HydrophobicContact CG-CG 3.87Å; E802-D804 VanDerWaalsContact C-N 3.26Å; E802-D804 PolarHBondContact O-N 3.29Å; E802-L805 PolarHBondContact O-N 2.74Å
803	N	51.7	Low	61	Low	152 Å²	152	89.3 Å²	89.3	81%	0.813	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-69.1	-12.1	175	-57.6	-10.9	0	0	0	114.9	N801 L805	N801-N803 PolarHBondContact O-N 2.77Å; N803-L805 VanDerWaalsContact C-N 3.31Å
804	D	52.6	Low	58.6	Low	97 Å²	97	93.1 Å²	93.1	52%	0.519	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-87.2	6.1	176.8	-80.4	-45.7	0	0	0	113.3	N801 E802 P806	N801-D804 PolarHBondContact O-N 3.43Å; E802-D804 VanDerWaalsContact C-N 3.26Å; E802-D804 PolarHBondContact O-N 3.29Å; D804-P806 WeakPolarHBondContact O-CD 3.43Å
805	L	42.3	Very low	56.2	Low	123 Å²	123	97.8 Å²	97.8	64%	0.644	53%	0.529	S	S	*	.	S	Bend	trans	-75.3	118.9	176	-163.9	73.9	0	0	0	110.8	E802 N803 N807	E802-L805 PolarHBondContact O-N 2.74Å; N803-L805 VanDerWaalsContact C-N 3.31Å; L805-N807 PolarHBondContact O-N 2.91Å
806	P	37.1	Very low	53.5	Low	122 Å²	122	105.1 Å²	105.1	79%	0.792	57%	0.568	S	S	*	*			trans	-75.2	95.6	-173.7	29.3	-34.8	0	0	0	112.5	D804	D804-P806 WeakPolarHBondContact O-CD 3.43Å
807	N	33.9	Very low	51	Low	116 Å²	116	110.1 Å²	110.1	62%	0.62	61%	0.605	S	S	*	*			trans	34.7	87.4	169.3	-157.5	22.3	0	0	0	117.5	L805 E809	L805-N807 PolarHBondContact O-N 2.91Å; N807-E809 PolarHBondContact ND2-OE2 3.03Å; N807-E809 WeakPolarHBondContact OD1-CG 3.06Å; N807-E809 PolarHBondContact OD1-OE2 2.77Å
808	S	42.9	Very low	48.4	Very low	103 Å²	103	117 Å²	117	72%	0.72	64%	0.638	S	S	*	*			trans	-97.6	68.2	162.9	62.8	0	0	0	0	111.1
809	E	41.6	Very low	45.9	Very low	126 Å²	126	122.7 Å²	122.7	59%	0.589	66%	0.663	S	S	*	*			trans	-71.3	145.9	171.9	-102.4	177.8	124.2	0	0	112	N807	N807-E809 PolarHBondContact ND2-OE2 3.03Å; N807-E809 WeakPolarHBondContact OD1-CG 3.06Å; N807-E809 PolarHBondContact OD1-OE2 2.77Å
810	Q	40.2	Very low	44	Very low	131 Å²	131	129.3 Å²	129.3	61%	0.612	69%	0.689	S	S	*	*			trans	55.8	94	168.8	-52.6	176.7	50.7	0	0	114.5
811	V	39.8	Very low	42.6	Very low	136 Å²	136	132.8 Å²	132.8	82%	0.824	71%	0.712	S	S	*	*				-147.2	130.8	75	172	0	0	0	0	111.4
812	R	43.6	Very low	41.8	Very low	231 Å²	231	134.6 Å²	134.6	87%	0.872	73%	0.73	S	S	*	*			trans	-109.4	168.6	155.7	-79.4	-177.1	173.1	171.5	-2	109
813	T	39.8	Very low	40.8	Very low	128 Å²	128	133.9 Å²	133.9	79%	0.785	74%	0.737	S	S	*	*			trans	72.7	145.8	-177.1	81.3	0	0	0	0	113.5
814	V	45.9	Very low	40.1	Very low	131 Å²	131	134.9 Å²	134.9	79%	0.794	74%	0.742	S	S	*	*			cis	-130.2	169.2	5.5	-173.8	0	0	0	0	109.8
815	V	47	Very low	39.2	Very low	125 Å²	125	137.3 Å²	137.3	76%	0.758	75%	0.754	S	S	*	*			trans	97.7	77.1	167.8	-167.1	0	0	0	0	114.6
816	D	39.4	Very low	38.9	Very low	155 Å²	155	137.6 Å²	137.6	83%	0.829	76%	0.761	S	S	*	*			trans	-66.8	148.4	155.2	-64.5	-81	0	0	0	111.7
817	S	42.9	Very low	39.2	Very low	119 Å²	119	134 Å²	134	83%	0.832	74%	0.738	S	S	*	*			trans	-156.5	98.8	148.3	-77.1	0	0	0	0	109.2
818	Q	39.8	Very low	40.3	Very low	171 Å²	171	131.4 Å²	131.4	80%	0.799	72%	0.723	S	S	*	*			trans	-18.5	148.6	147.8	-107.7	174.9	-72.2	0	0	115.1
819	E	34.9	Very low	41.4	Very low	136 Å²	136	128.3 Å²	128.3	64%	0.636	70%	0.697	S	S	*	*			cis	-148.4	-177.5	28.3	-64.9	-163.4	134.7	0	0	114.9
820	K	37.5	Very low	43.2	Very low	173 Å²	173	122.3 Å²	122.3	75%	0.752	67%	0.669	S	S	*	*			trans	91.7	93.1	142.4	-110.5	157.8	-170	128.4	0	119.4
821	S	34.9	Very low	45.5	Very low	105 Å²	105	116.3 Å²	116.3	73%	0.734	64%	0.641	S	S	*	*			trans	55.4	98.2	143.4	59.6	0	0	0	0	120
822	S	35.8	Very low	48.1	Very low	108 Å²	108	109.9 Å²	109.9	76%	0.755	60%	0.602	S	S	*	*			trans	-170.2	141.5	130.6	-82.5	0	0	0	0	111	L824	S822-L824 PolarHBondContact O-N 3.11Å
823	P	34.1	Very low	50.6	Low	124 Å²	124	99.4 Å²	99.4	81%	0.805	56%	0.564	S	S	*	*			trans	-81.4	97.7	-179.7	31.9	-33.1	0	0	0	111.5	L825	P823-L825 VanDerWaalsContact C-N 3.32Å; P823-L825 PolarHBondContact O-N 3.16Å
824	L	36.2	Very low	53.4	Low	172 Å²	172	93.3 Å²	93.3	90%	0.901	53%	0.526	S	S	*	.			trans	-85.6	64.6	-174.3	-152.4	83.5	0	0	0	113.4	S822	S822-L824 PolarHBondContact O-N 3.11Å
825	L	34.6	Very low	55.8	Low	148 Å²	148	87.3 Å²	87.3	78%	0.775	49%	0.49	S	S	*	.			trans	-83.7	146.7	170.8	-74.2	174.9	0	0	0	112.2	P823	P823-L825 VanDerWaalsContact C-N 3.32Å; P823-L825 PolarHBondContact O-N 3.16Å
826	T	35.6	Very low	58.2	Low	129 Å²	129	81.4 Å²	81.4	79%	0.791	45%	0.454	S	S	*	.			trans	45.6	84.7	155	55.1	0	0	0	0	117.3
827	S	43.8	Very low	60.9	Low	46 Å²	46	76.3 Å²	76.3	32%	0.322	43%	0.426	S	S	.	.			trans	-94.1	86.5	151.8	164.3	0	0	0	0	108.4	Q829	S827-Q829 PolarHBondContact O-N 2.82Å
828	E	56.3	Low	63.5	Low	63 Å²	63	70.8 Å²	70.8	29%	0.294	39%	0.386	S	S	.	.			trans	-63	74.4	170.3	-170.7	-170.2	-114.6	0	0	109.7	P285 N286 Y688 R797 V830	P285-E828 VanDerWaalsContact O-CD 3.29Å; P285-E828 WeakPolarHBondContact O-CG 3.33Å; N286-E828 PolarHBondContact ND2-OE1 3.45Å; Y688-E828 WeakPolarHBondContact CE1-O 3.06Å; Y688-E828 VanDerWaalsContact CZ-O 3.31Å; Y688-E828 PolarHBondContact OH-O 3.37Å; Y688-E828 VanDerWaalsContact OH-O 3.08Å; Y688-E828 PolarHBondContact OH-OE2 3.03Å; R797-E828 IonicContact CZ-OE2 2.78Å; R797-E828 VanDerWaalsContact NH2-CD 3.34Å; R797-E828 IonicContact NH2-OE1 3.74Å; R797-E828 IonicContact NH2-OE2 3.44Å; R797-E828 PolarHBondContact NH2-OE2 3.19Å; E828-V830 HydrophobicContact CG-CG2 4.42Å
829	Q	65.2	Low	66.2	Low	38 Å²	38	62.8 Å²	62.8	18%	0.178	35%	0.349	C	S	.	.			trans	-62.8	150.7	175.8	-26.1	161	40.5	0	0	108.1	T283 E284 S827	T283-Q829 PolarHBondContact O-OE1 2.78Å; E284-Q829 CarbonylContact C-O 3.5Å; E284-Q829 WeakPolarHBondContact CA-O 3.32Å; E284-Q829 HydrophobicContact CB-CB 3.42Å; E284-Q829 VanDerWaalsContact CB-CB 3.42Å; E284-Q829 HydrophobicContact CB-CG 3.45Å; E284-Q829 VanDerWaalsContact CB-CG 3.45Å; E284-Q829 WeakPolarHBondContact CB-O 3.4Å; E284-Q829 HydrophobicContact CG-CG 4.28Å; E284-Q829 VanDerWaalsContact N-C 3.33Å; E284-Q829 PolarHBondContact N-O 2.96Å; E284-Q829 WeakPolarHBondContact OE1-CG 3.4Å; E284-Q829 PolarHBondContact OE1-NE2 3.22Å; S827-Q829 PolarHBondContact O-N 2.82Å
830	V	79.4	Confident	69	Low	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.328	C	S	.	.			trans	-137.5	132.7	-176.3	172.6	0	0	0	0	109.6	Y688 R797 V799 E828 Y832	Y688-V830 HydrophobicContact CD1-CB 3.77Å; Y688-V830 HydrophobicContact CD1-CG2 3.88Å; Y688-V830 HydrophobicContact CD2-CB 3.76Å; Y688-V830 HydrophobicContact CD2-CG1 4.13Å; Y688-V830 HydrophobicContact CD2-CG2 3.7Å; Y688-V830 HydrophobicContact CE1-CB 4.06Å; Y688-V830 HydrophobicContact CE1-CG2 3.62Å; Y688-V830 HydrophobicContact CE2-CB 3.99Å; Y688-V830 HydrophobicContact CE2-CG2 3.37Å; Y688-V830 HydrophobicContact CG-CB 3.66Å; Y688-V830 HydrophobicContact CG-CG1 4.33Å; Y688-V830 HydrophobicContact CG-CG2 3.96Å; R797-V830 HydrophobicContact CG-CG1 3.43Å; R797-V830 VanDerWaalsContact CG-CG1 3.43Å; V799-V830 HydrophobicContact CG1-CB 4.49Å; V799-V830 HydrophobicContact CG1-CG1 4.36Å; V799-V830 HydrophobicContact CG1-CG2 3.77Å; E828-V830 HydrophobicContact CG-CG2 4.42Å; V830-Y832 HydrophobicContact CG1-CE1 4.2Å; V830-Y832 HydrophobicContact CG1-CE2 3.84Å
831	C	88.7	Confident	71.5	Confident	5 Å²	5	51.3 Å²	51.3	3%	0.034	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	170.5	171.6	88.8	0	0	0	0	112.2	L282 T283 V798	L282-C831 WeakPolarHBondContact O-CB 3.27Å; T283-C831 HydrophobicContact CG2-CB 3.63Å; T283-C831 WeakPolarHBondContact CG2-SG 3.36Å; T283-C831 WeakPolarHBondContact OG1-CB 3.13Å; T283-C831 PolarHBondContact OG1-SG 2.79Å; T283-C831 VanDerWaalsContact OG1-SG 3.36Å; V798-C831 PolarHBondContact N-O 2.88Å; V798-C831 PolarHBondContact O-N 3.19Å
832	Y	94.9	Very high	74.1	Confident	1 Å²	1	52.4 Å²	52.4	0%	0.004	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	114.5	-174	-64.3	-82	0	0	0	107.6	V690 V761 C764 I795 Q796 R797 V830 P848 C849	V690-Y832 WeakPolarHBondContact CG2-OH 3.44Å; V761-Y832 HydrophobicContact CG2-CD1 3.91Å; V761-Y832 HydrophobicContact CG2-CE1 4.03Å; C764-Y832 HydrophobicContact CB-CD1 3.33Å; C764-Y832 HydrophobicContact CB-CD2 3.51Å; C764-Y832 HydrophobicContact CB-CE1 3.67Å; C764-Y832 HydrophobicContact CB-CE2 3.85Å; C764-Y832 HydrophobicContact CB-CG 3.22Å; I795-Y832 HydrophobicContact CG2-CD1 4.01Å; I795-Y832 HydrophobicContact CG2-CG 4.29Å; Q796-Y832 CarbonylContact O-C 2.63Å; Q796-Y832 WeakPolarHBondContact O-CA 3.32Å; R797-Y832 HydrophobicContact CB-CD1 4.22Å; R797-Y832 HydrophobicContact CB-CE1 3.91Å; R797-Y832 HydrophobicContact CG-CE1 3.92Å; V830-Y832 HydrophobicContact CG1-CE1 4.2Å; V830-Y832 HydrophobicContact CG1-CE2 3.84Å; Y832-P848 CarbonylContact O-C 3.43Å; Y832-P848 WeakPolarHBondContact O-CA 3.27Å; Y832-C849 VanDerWaalsContact CB-SG 3.52Å; Y832-C849 PolarHBondContact O-N 3.22Å; Y832-C849 PolarHBondContact O-SG 3.36Å
833	T	96.5	Very high	76.8	Confident	10 Å²	10	52 Å²	52	6%	0.061	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	112	173.6	-66.3	0	0	0	0	107.6	I755 Q796 Y846	I755-T833 HydrophobicContact CG2-CG2 4.09Å; Q796-T833 PolarHBondContact N-O 2.72Å; Q796-T833 PolarHBondContact O-N 3.11Å; T833-Y846 HydrophobicContact CG2-CD1 4.22Å; T833-Y846 HydrophobicContact CG2-CG 4.44Å
834	A	97.3	Very high	79.7	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	126.5	175.2	0	0	0	0	0	109.5	I792 S794 L836 Y846 M847 L852	I792-A834 HydrophobicContact CG1-CB 4.46Å; I792-A834 HydrophobicContact CG2-CB 4.25Å; S794-A834 CarbonylContact O-C 3.59Å; S794-A834 WeakPolarHBondContact O-CA 3.28Å; A834-L836 HydrophobicContact CB-CD2 3.69Å; A834-L836 HydrophobicContact CB-CG 4.47Å; A834-Y846 WeakPolarHBondContact O-CA 3.34Å; A834-M847 PolarHBondContact N-O 3Å; A834-M847 PolarHBondContact O-N 2.81Å; A834-L852 HydrophobicContact CB-CD1 3.86Å
835	C	97.2	Very high	82.6	Confident	6 Å²	6	43.4 Å²	43.4	4%	0.041	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	131.5	154	-163.3	0	0	0	0	107.4	T793 S794 Y846	T793-C835 PolarHBondContact N-O 3.19Å; T793-C835 VanDerWaalsContact OG1-C 3.26Å; T793-C835 WeakPolarHBondContact OG1-CB 3.32Å; T793-C835 PolarHBondContact OG1-O 3.48Å; T793-C835 VanDerWaalsContact OG1-O 3.07Å; T793-C835 PolarHBondContact OG1-SG 3.33Å; S794-C835 PolarHBondContact N-O 2.95Å; S794-C835 PolarHBondContact O-N 2.79Å; S794-C835 WeakPolarHBondContact OG-CB 3.23Å; C835-Y846 HydrophobicContact CB-CD1 3.93Å; C835-Y846 HydrophobicContact CB-CE1 3.63Å
836	L	97.4	Very high	85.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	178.3	-175.3	-57.8	-177.5	0	0	0	111.5	V778 A790 Q791 I792 T793 A834 W838 S845 M847 L852 L1356	V778-L836 HydrophobicContact CG2-CD2 4.15Å; A790-L836 HydrophobicContact CB-CB 4.31Å; A790-L836 HydrophobicContact CB-CD1 4.45Å; Q791-L836 CarbonylContact O-C 3.58Å; Q791-L836 WeakPolarHBondContact O-CA 3.29Å; I792-L836 HydrophobicContact CG1-CD2 3.81Å; T793-L836 PolarHBondContact OG1-O 2.83Å; A834-L836 HydrophobicContact CB-CD2 3.69Å; A834-L836 HydrophobicContact CB-CG 4.47Å; L836-W838 HydrophobicContact CD1-CH2 4.09Å; L836-S845 PolarHBondContact N-O 3.42Å; L836-M847 HydrophobicContact CD1-CB 3.87Å; L836-M847 HydrophobicContact CD1-CG 3.85Å; L836-M847 HydrophobicContact CG-CB 4.39Å; L836-L852 HydrophobicContact CD1-CD2 3.69Å; L836-L852 HydrophobicContact CD2-CD1 3.98Å; L836-L852 HydrophobicContact CD2-CD2 3.9Å; L836-L852 HydrophobicContact CG-CD2 4.36Å; L836-L1356 HydrophobicContact CB-CD1 3.23Å; L836-L1356 HydrophobicContact CB-CD2 4.1Å; L836-L1356 HydrophobicContact CB-CG 4.25Å; L836-L1356 HydrophobicContact CD1-CD1 4.25Å; L836-L1356 HydrophobicContact CG-CD1 4.4Å; L836-L1356 WeakPolarHBondContact O-CB 3.36Å
837	H	97.1	Very high	88.4	Confident	49 Å²	49	37 Å²	37	23%	0.227	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	103.8	165.5	-115.9	25.9	0	0	0	112.8	A790 Q791 T793 T1355 L1356	A790-H837 CarbonylContact C-O 3.07Å; A790-H837 VanDerWaalsContact C-O 3.25Å; A790-H837 WeakPolarHBondContact CA-O 3.44Å; A790-H837 VanDerWaalsContact CB-O 3.23Å; A790-H837 WeakPolarHBondContact CB-O 3.08Å; Q791-H837 HydrophobicContact CB-CB 3.73Å; Q791-H837 HydrophobicContact CG-CB 4.47Å; Q791-H837 PolarHBondContact N-O 2.86Å; Q791-H837 PolarHBondContact O-N 3.33Å; T793-H837 HydrophobicContact CG2-CB 3.87Å; H837-T1355 CarbonylContact C-O 3.52Å; H837-T1355 VanDerWaalsContact CA-C 3.42Å; H837-T1355 VanDerWaalsContact CA-O 3.32Å; H837-T1355 WeakPolarHBondContact CA-O 3.29Å; H837-T1355 VanDerWaalsContact CB-C 3.48Å; H837-T1355 WeakPolarHBondContact CB-O 3.49Å; H837-T1355 VanDerWaalsContact CD2-CA 3.44Å; H837-T1355 WeakPolarHBondContact CD2-CA 3.11Å; H837-T1355 PolarHBondContact CD2-N 3.36Å; H837-T1355 WeakPolarHBondContact NE2-CA 3.02Å; H837-L1356 VanDerWaalsContact C-CB 3.43Å; H837-L1356 VanDerWaalsContact C-N 3.29Å; H837-L1356 VanDerWaalsContact CA-CA 3.47Å; H837-L1356 HydrophobicContact CB-CB 4.4Å; H837-L1356 PolarHBondContact CE1-N 2.81Å; H837-L1356 PolarHBondContact CE1-O 3.03Å; H837-L1356 VanDerWaalsContact CE1-O 3.31Å; H837-L1356 PolarHBondContact ND1-N 3.34Å; H837-L1356 PolarHBondContact ND1-O 3.11Å
838	W	96.6	Very high	90.8	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.008	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	103.5	176.4	-72.3	139.4	0	0	0	113.9	L782 W788 P789 A790 L836 A840 W841 T1355 L1356	L782-W838 HydrophobicContact CD1-CD2 3.8Å; L782-W838 HydrophobicContact CD1-CE3 4.24Å; L782-W838 HydrophobicContact CD1-CH2 3.85Å; L782-W838 HydrophobicContact CD1-CZ2 3.39Å; L782-W838 HydrophobicContact CD1-CZ3 4.24Å; L782-W838 HydrophobicContact CD2-CZ2 4.23Å; L782-W838 HydrophobicContact CG-CH2 4.22Å; L782-W838 HydrophobicContact CG-CZ2 3.43Å; L782-W838 VanDerWaalsContact CG-CZ2 3.43Å; W788-W838 HydrophobicContact CB-CD2 4.35Å; W788-W838 HydrophobicContact CB-CE3 3.72Å; W788-W838 HydrophobicContact CB-CZ3 4.17Å; W788-W838 AromaticContact CD1-CE3 3.92Å; W788-W838 HydrophobicContact CG-CE3 4.18Å; P789-W838 WeakPolarHBondContact O-CA 3.23Å; A790-W838 HydrophobicContact CB-CE3 3.82Å; A790-W838 HydrophobicContact CB-CZ3 3.98Å; L836-W838 HydrophobicContact CD1-CH2 4.09Å; W838-A840 PolarHBondContact O-N 3.27Å; W838-W841 HydrophobicContact CB-CB 4.1Å; W838-W841 AromaticContact CD1-CD2 3.94Å; W838-W841 AromaticContact CD1-CE3 3.57Å; W838-W841 HydrophobicContact CG-CE3 4.2Å; W838-W841 PolarHBondContact O-N 2.8Å; W838-T1355 CarbonylContact C-O 3.57Å; W838-T1355 WeakPolarHBondContact CA-O 3.35Å; W838-T1355 PolarHBondContact N-O 3.38Å; W838-T1355 CarbonylContact O-C 3.59Å; W838-T1355 PolarHBondContact O-OG1 3.09Å; W838-T1355 VanDerWaalsContact O-OG1 3.11Å; W838-L1356 VanDerWaalsContact CA-CD1 3.49Å; W838-L1356 HydrophobicContact CB-CB 4.19Å; W838-L1356 HydrophobicContact CB-CD1 3.67Å; W838-L1356 HydrophobicContact CB-CG 3.56Å; W838-L1356 HydrophobicContact CD2-CD1 3.18Å; W838-L1356 HydrophobicContact CD2-CD2 4.26Å; W838-L1356 HydrophobicContact CD2-CG 3.71Å; W838-L1356 HydrophobicContact CE3-CD1 3.63Å; W838-L1356 HydrophobicContact CG-CB 4.36Å; W838-L1356 HydrophobicContact CG-CD1 3.29Å; W838-L1356 HydrophobicContact CG-CD2 4.12Å; W838-L1356 HydrophobicContact CG-CG 3.27Å; W838-L1356 HydrophobicContact CH2-CD1 4.25Å; W838-L1356 HydrophobicContact CZ2-CD1 3.85Å; W838-L1356 HydrophobicContact CZ2-CD2 4.18Å; W838-L1356 HydrophobicContact CZ2-CG 4.49Å; W838-L1356 HydrophobicContact CZ3-CD1 4.16Å; W838-L1356 VanDerWaalsContact N-N 3.12Å
839	F	96.1	Very high	92.7	Very high	3 Å²	3	33.1 Å²	33.1	1%	0.013	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	139.4	-173.7	-68.6	-92.1	0	0	0	113.6	L777 W788 P789 Q791 W841 A874 E877 A878 A881 S1354 T1355	L777-F839 HydrophobicContact CD1-CE2 4.02Å; L777-F839 HydrophobicContact CD1-CZ 3.81Å; L777-F839 HydrophobicContact CD2-CE2 4.05Å; L777-F839 HydrophobicContact CD2-CZ 3.88Å; W788-F839 PolarHBondContact NE1-O 3.29Å; P789-F839 HydrophobicContact CB-CD2 4.2Å; P789-F839 HydrophobicContact CG-CB 4.31Å; P789-F839 HydrophobicContact CG-CD2 4.36Å; P789-F839 PolarHBondContact O-N 2.85Å; P789-F839 VanDerWaalsContact O-N 3.14Å; Q791-F839 HydrophobicContact CB-CE2 4.3Å; Q791-F839 HydrophobicContact CB-CZ 4.27Å; F839-W841 VanDerWaalsContact C-N 3.35Å; F839-W841 PolarHBondContact O-N 3.45Å; F839-A874 HydrophobicContact CB-CB 3.99Å; F839-A874 WeakPolarHBondContact CB-O 3.25Å; F839-A874 WeakPolarHBondContact O-CB 3.23Å; F839-E877 HydrophobicContact CB-CB 4.26Å; F839-E877 HydrophobicContact CD1-CB 3.99Å; F839-E877 HydrophobicContact CD1-CG 3.89Å; F839-E877 HydrophobicContact CG-CB 4.49Å; F839-A878 HydrophobicContact CB-CB 4.38Å; F839-A878 HydrophobicContact CD1-CB 4.33Å; F839-A878 HydrophobicContact CD2-CB 3.44Å; F839-A878 VanDerWaalsContact CD2-CB 3.44Å; F839-A878 HydrophobicContact CE2-CB 3.7Å; F839-A878 HydrophobicContact CG-CB 3.79Å; F839-A878 HydrophobicContact CZ-CB 4.27Å; F839-A881 HydrophobicContact CE1-CB 3.51Å; F839-A881 HydrophobicContact CZ-CB 3.66Å; F839-S1354 VanDerWaalsContact CE1-O 3.25Å; F839-S1354 WeakPolarHBondContact CE1-O 3.21Å; F839-T1355 WeakPolarHBondContact CA-OG1 3.38Å; F839-T1355 PolarHBondContact N-O 3.15Å
840	A	93.2	Very high	94	Very high	24 Å²	24	32.1 Å²	32.1	20%	0.198	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	27.5	-168.8	0	0	0	0	0	116.9	W838 V870 Q873 A874 E877 S1354 T1355	W838-A840 PolarHBondContact O-N 3.27Å; A840-V870 HydrophobicContact CB-CG1 3.62Å; A840-V870 WeakPolarHBondContact O-CG1 3.5Å; A840-Q873 HydrophobicContact CB-CB 4.42Å; A840-Q873 HydrophobicContact CB-CG 4.11Å; A840-A874 HydrophobicContact CB-CB 4.18Å; A840-E877 WeakPolarHBondContact CB-OE2 3.29Å; A840-E877 PolarHBondContact N-OE2 3.13Å; A840-S1354 PolarHBondContact N-OG 3.21Å; A840-T1355 PolarHBondContact N-OG1 3.43Å
841	W	91.5	Very high	94.7	Very high	45 Å²	45	37.8 Å²	37.8	17%	0.17	19%	0.187	C	C	.	.			trans	-149.8	110.3	174.4	-174.7	-2.2	0	0	0	114	L782 W785 W838 F839 Q843 T1355 L1356	L782-W841 HydrophobicContact CD1-CZ3 4.06Å; L782-W841 HydrophobicContact CD2-CH2 3.4Å; L782-W841 VanDerWaalsContact CD2-CH2 3.4Å; L782-W841 HydrophobicContact CD2-CZ2 4.36Å; L782-W841 HydrophobicContact CD2-CZ3 3.5Å; L782-W841 VanDerWaalsContact CD2-CZ3 3.5Å; L782-W841 HydrophobicContact CG-CZ3 4.45Å; W785-W841 HydrophobicContact CD2-CH2 4.24Å; W785-W841 AromaticContact CD2-CZ3 3.95Å; W785-W841 HydrophobicContact CD2-CZ3 3.95Å; W785-W841 AromaticContact CE2-CH2 3.62Å; W785-W841 AromaticContact CE2-CZ3 3.79Å; W785-W841 HydrophobicContact CE3-CZ3 4.39Å; W785-W841 HydrophobicContact CG-CZ3 4.29Å; W785-W841 AromaticContact CZ2-CH2 3.87Å; W785-W841 HydrophobicContact CZ2-CH2 3.87Å; W785-W841 HydrophobicContact CZ2-CZ3 4.14Å; W785-W841 AromaticContact NE1-CH2 3.54Å; W785-W841 AromaticContact NE1-CZ3 3.98Å; W838-W841 HydrophobicContact CB-CB 4.1Å; W838-W841 AromaticContact CD1-CD2 3.94Å; W838-W841 AromaticContact CD1-CE3 3.57Å; W838-W841 HydrophobicContact CG-CE3 4.2Å; W838-W841 PolarHBondContact O-N 2.8Å; F839-W841 VanDerWaalsContact C-N 3.35Å; F839-W841 PolarHBondContact O-N 3.45Å; W841-Q843 VanDerWaalsContact C-N 3.27Å; W841-Q843 PolarHBondContact O-N 2.91Å; W841-T1355 PolarHBondContact N-OG1 2.67Å; W841-L1356 VanDerWaalsContact O-CA 3.22Å; W841-L1356 WeakPolarHBondContact O-CA 3.16Å
842	H	89.5	Confident	95.1	Very high	127 Å²	127	37.6 Å²	37.6	59%	0.588	19%	0.186	S	C	*	.			trans	-60.8	22.4	-179	70.1	-87.1	0	0	0	120	L1356	H842-L1356 VanDerWaalsContact CA-OXT 3.23Å; H842-L1356 WeakPolarHBondContact CA-OXT 3.41Å
843	Q	91.8	Very high	95.2	Very high	101 Å²	101	38.2 Å²	38.2	47%	0.472	19%	0.188	S	C	.	.			trans	-124.7	110.9	-179	-66.2	-174	-48.8	0	0	114.4	W841 L1356	W841-Q843 VanDerWaalsContact C-N 3.27Å; W841-Q843 PolarHBondContact O-N 2.91Å; Q843-L1356 WeakPolarHBondContact CA-OXT 3.43Å; Q843-L1356 PolarHBondContact N-OXT 2.8Å; Q843-L1356 VanDerWaalsContact O-CB 3.28Å; Q843-L1356 WeakPolarHBondContact O-CB 3.22Å; Q843-L1356 VanDerWaalsContact O-CD2 3.23Å; Q843-L1356 WeakPolarHBondContact O-CD2 3.44Å; Q843-L1356 WeakPolarHBondContact O-CG 3.22Å
844	V	94.7	Very high	95.1	Very high	88 Å²	88	39.8 Å²	39.8	53%	0.533	20%	0.195	S	C	.	.			trans	-50.4	151.9	167.7	-71.9	0	0	0	0	113.8	L1356	V844-L1356 WeakPolarHBondContact CA-O 3.44Å; V844-L1356 WeakPolarHBondContact CG1-O 3.3Å; V844-L1356 PolarHBondContact N-O 3.31Å
845	S	96.4	Very high	95	Very high	26 Å²	26	39.9 Å²	39.9	18%	0.182	20%	0.196	C	C	.	.			trans	-162.1	134	177.1	96	0	0	0	0	109.2	L836 L1356	L836-S845 PolarHBondContact N-O 3.42Å; S845-L1356 WeakPolarHBondContact OG-CD2 3.5Å
846	Y	96.4	Very high	94.8	Very high	95 Å²	95	42.7 Å²	42.7	37%	0.373	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	122.8	178.8	-65.1	-88.8	0	0	0	108.9	M756 T833 A834 C835	M756-Y846 HydrophobicContact CE-CD2 4.45Å; M756-Y846 HydrophobicContact CE-CE1 4.04Å; M756-Y846 HydrophobicContact CE-CE2 3.98Å; M756-Y846 HydrophobicContact SD-CE1 4.01Å; T833-Y846 HydrophobicContact CG2-CD1 4.22Å; T833-Y846 HydrophobicContact CG2-CG 4.44Å; A834-Y846 WeakPolarHBondContact O-CA 3.34Å; C835-Y846 HydrophobicContact CB-CD1 3.93Å; C835-Y846 HydrophobicContact CB-CE1 3.63Å
847	M	95.5	Very high	94.5	Very high	48 Å²	48	44.3 Å²	44.3	24%	0.236	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	131.2	-176.6	-73.3	-79.4	97.6	0	0	110.6	A834 L836 C849 L852	A834-M847 PolarHBondContact N-O 3Å; A834-M847 PolarHBondContact O-N 2.81Å; L836-M847 HydrophobicContact CD1-CB 3.87Å; L836-M847 HydrophobicContact CD1-CG 3.85Å; L836-M847 HydrophobicContact CG-CB 4.39Å; M847-C849 PolarHBondContact O-N 3.09Å; M847-L852 HydrophobicContact CB-CD2 4.13Å
848	P	95.4	Very high	94.2	Very high	27 Å²	27	42 Å²	42	18%	0.175	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	137.3	169.3	-28.5	35.7	0	0	0	112.2	Y832 D850 K851	Y832-P848 CarbonylContact O-C 3.43Å; Y832-P848 WeakPolarHBondContact O-CA 3.27Å; P848-D850 VanDerWaalsContact CB-OD2 3.28Å; P848-D850 WeakPolarHBondContact CB-OD2 3.27Å; P848-D850 PolarHBondContact O-N 2.88Å; P848-D850 VanDerWaalsContact O-N 3.13Å; P848-K851 HydrophobicContact CB-CD 4.34Å; P848-K851 HydrophobicContact CG-CD 4.32Å; P848-K851 WeakPolarHBondContact O-CB 3.38Å; P848-K851 PolarHBondContact O-N 3.44Å
849	C	95.4	Very high	94	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-57.6	-28.6	-177.3	-73.3	0	0	0	0	112.7	L766 F772 Y832 M847 K851 L852	L766-C849 HydrophobicContact CD1-CB 4.03Å; F772-C849 HydrophobicContact CD2-CB 3.94Å; F772-C849 HydrophobicContact CE2-CB 4.35Å; F772-C849 WeakPolarHBondContact CE2-O 3.16Å; Y832-C849 VanDerWaalsContact CB-SG 3.52Å; Y832-C849 PolarHBondContact O-N 3.22Å; Y832-C849 PolarHBondContact O-SG 3.36Å; M847-C849 PolarHBondContact O-N 3.09Å; C849-K851 PolarHBondContact O-N 3.15Å; C849-L852 HydrophobicContact CB-CD1 4.4Å; C849-L852 WeakPolarHBondContact O-CB 3.01Å; C849-L852 WeakPolarHBondContact O-CG 3.19Å; C849-L852 PolarHBondContact O-N 2.8Å
850	D	93.5	Very high	93.7	Very high	18 Å²	18	49 Å²	49	10%	0.096	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-58.9	-18.6	175.2	-30.8	-64.1	0	0	0	114.4	K281 L282 P848	K281-D850 VanDerWaalsContact CA-OD1 3.27Å; K281-D850 WeakPolarHBondContact CA-OD1 3.45Å; K281-D850 WeakPolarHBondContact CB-OD1 3.27Å; K281-D850 VanDerWaalsContact O-CB 3.27Å; K281-D850 WeakPolarHBondContact O-CB 3.19Å; K281-D850 VanDerWaalsContact O-CG 3.3Å; L282-D850 PolarHBondContact N-OD1 2.77Å; L282-D850 VanDerWaalsContact N-OD1 3.13Å; P848-D850 VanDerWaalsContact CB-OD2 3.28Å; P848-D850 WeakPolarHBondContact CB-OD2 3.27Å; P848-D850 PolarHBondContact O-N 2.88Å; P848-D850 VanDerWaalsContact O-N 3.13Å
851	K	94.2	Very high	93.6	Very high	118 Å²	118	54 Å²	54	51%	0.513	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-103.4	5.2	-177.3	-60.9	169.7	-171.1	165.3	0	111.9	P848 C849	P848-K851 HydrophobicContact CB-CD 4.34Å; P848-K851 HydrophobicContact CG-CD 4.32Å; P848-K851 WeakPolarHBondContact O-CB 3.38Å; P848-K851 PolarHBondContact O-N 3.44Å; C849-K851 PolarHBondContact O-N 3.15Å
852	L	96.4	Very high	93.7	Very high	2 Å²	2	53 Å²	53	1%	0.01	25%	0.25	C	C	.	.			trans	-101.7	156.8	179.8	-46.6	-177.5	0	0	0	111.2	F772 V778 I792 A834 L836 M847 C849	F772-L852 HydrophobicContact CD2-CD1 4.4Å; F772-L852 HydrophobicContact CE1-CB 4Å; F772-L852 HydrophobicContact CE2-CB 3.89Å; F772-L852 HydrophobicContact CE2-CD1 4.46Å; F772-L852 HydrophobicContact CG-CD1 4.47Å; F772-L852 HydrophobicContact CZ-CB 3.55Å; V778-L852 HydrophobicContact CB-CB 4.23Å; V778-L852 HydrophobicContact CG1-CB 4.23Å; V778-L852 HydrophobicContact CG1-CD1 4.49Å; V778-L852 HydrophobicContact CG2-CB 4.44Å; V778-L852 HydrophobicContact CG2-CD2 4.31Å; I792-L852 HydrophobicContact CD1-CD1 4Å; I792-L852 HydrophobicContact CG1-CD1 4.44Å; A834-L852 HydrophobicContact CB-CD1 3.86Å; L836-L852 HydrophobicContact CD1-CD2 3.69Å; L836-L852 HydrophobicContact CD2-CD1 3.98Å; L836-L852 HydrophobicContact CD2-CD2 3.9Å; L836-L852 HydrophobicContact CG-CD2 4.36Å; M847-L852 HydrophobicContact CB-CD2 4.13Å; C849-L852 HydrophobicContact CB-CD1 4.4Å; C849-L852 WeakPolarHBondContact O-CB 3.01Å; C849-L852 WeakPolarHBondContact O-CG 3.19Å; C849-L852 PolarHBondContact O-N 2.8Å
853	F	96.2	Very high	93.9	Very high	13 Å²	13	48.1 Å²	48.1	6%	0.057	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	121.4	-174.7	-71	-78.4	0	0	0	109.1	S279 V778 W779 Y787 F855 H858 F862	S279-F853 WeakPolarHBondContact O-CE1 3.48Å; V778-F853 CarbonylContact C-O 3.53Å; V778-F853 VanDerWaalsContact CA-O 3.23Å; V778-F853 WeakPolarHBondContact CA-O 3.13Å; W779-F853 HydrophobicContact CB-CB 4.3Å; W779-F853 PolarHBondContact N-O 3.28Å; W779-F853 PolarHBondContact O-N 3.09Å; Y787-F853 AromaticContact CE1-CD2 3.91Å; Y787-F853 HydrophobicContact CE1-CD2 3.91Å; Y787-F853 AromaticContact CE1-CE2 3.83Å; Y787-F853 HydrophobicContact CE1-CE2 3.83Å; F853-F855 PolarHBondContact O-N 2.88Å; F853-H858 VanDerWaalsContact CB-CD2 3.46Å; F853-H858 WeakPolarHBondContact CB-CD2 3.37Å; F853-H858 AromaticContact CD1-CE1 3.88Å; F853-H858 AromaticContact CD1-NE2 3.5Å; F853-F862 HydrophobicContact CB-CE2 3.98Å; F853-F862 HydrophobicContact CD2-CE2 4.36Å; F853-F862 HydrophobicContact CD2-CZ 4.36Å; F853-F862 HydrophobicContact CG-CE2 4.11Å; F853-F862 HydrophobicContact CG-CZ 4.36Å
854	H	95.5	Very high	93.7	Very high	44 Å²	44	46.9 Å²	46.9	20%	0.204	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	135.7	-174.4	-73.5	-62.9	0	0	0	114.1	V771 F772 E857 H858	V771-H854 PolarHBondContact O-CE1 3.24Å; V771-H854 VanDerWaalsContact O-CE1 3.23Å; F772-H854 AromaticContact CD1-CE1 3.75Å; F772-H854 AromaticContact CE1-CE1 3.76Å; F772-H854 AromaticContact CE1-ND1 3.77Å; H854-E857 HydrophobicContact CB-CB 3.73Å; H854-E857 IonicContact CD2-OE2 3.84Å; H854-E857 PolarHBondContact CD2-OE2 2.75Å; H854-E857 IonicContact CG-OE2 3.89Å; H854-E857 WeakPolarHBondContact O-CB 3.25Å; H854-E857 PolarHBondContact O-N 3.29Å; H854-H858 PolarHBondContact O-N 2.79Å
855	F	95.6	Very high	93.5	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.009	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-55.5	-167.2	173.9	-102.8	0	0	0	113.3	L777 W779 P789 F853 E857 C859 A878 K879 A882	L777-F855 VanDerWaalsContact C-CB 3.44Å; L777-F855 HydrophobicContact CB-CB 3.57Å; L777-F855 HydrophobicContact CB-CD1 4.44Å; L777-F855 HydrophobicContact CB-CG 4.18Å; L777-F855 VanDerWaalsContact O-CB 3.29Å; L777-F855 WeakPolarHBondContact O-CB 3.44Å; L777-F855 PolarHBondContact O-N 2.84Å; W779-F855 AromaticContact CD1-CD2 3.97Å; W779-F855 HydrophobicContact CD2-CD2 4.15Å; W779-F855 HydrophobicContact CD2-CE2 4.46Å; W779-F855 AromaticContact CE2-CD2 3.48Å; W779-F855 VanDerWaalsContact CE2-CD2 3.48Å; W779-F855 AromaticContact CE2-CE2 3.61Å; W779-F855 HydrophobicContact CG-CD2 4.42Å; W779-F855 HydrophobicContact CH2-CE2 4.09Å; W779-F855 AromaticContact CZ2-CD2 3.81Å; W779-F855 HydrophobicContact CZ2-CD2 3.81Å; W779-F855 AromaticContact CZ2-CE2 3.39Å; W779-F855 HydrophobicContact CZ2-CE2 3.39Å; W779-F855 HydrophobicContact CZ2-CZ 4.35Å; W779-F855 AromaticContact NE1-CD2 3.33Å; W779-F855 VanDerWaalsContact NE1-CD2 3.33Å; W779-F855 AromaticContact NE1-CE2 3.87Å; W779-F855 PolarHBondContact NE1-O 3.16Å; P789-F855 HydrophobicContact CB-CD2 3.76Å; P789-F855 HydrophobicContact CB-CE2 3.58Å; F853-F855 PolarHBondContact O-N 2.88Å; F855-E857 PolarHBondContact O-N 2.68Å; F855-C859 WeakPolarHBondContact O-CA 2.99Å; F855-C859 VanDerWaalsContact O-CB 3.28Å; F855-C859 WeakPolarHBondContact O-CB 3.45Å; F855-C859 PolarHBondContact O-N 3.19Å; F855-A878 HydrophobicContact CD2-CB 4.2Å; F855-A878 HydrophobicContact CE1-CB 4.11Å; F855-A878 WeakPolarHBondContact CE1-O 3.25Å; F855-A878 HydrophobicContact CE2-CB 3.6Å; F855-A878 HydrophobicContact CZ-CB 3.53Å; F855-K879 HydrophobicContact CE1-CG 3.97Å; F855-K879 HydrophobicContact CZ-CG 3.86Å; F855-A882 HydrophobicContact CD1-CB 3.83Å; F855-A882 HydrophobicContact CE1-CB 4.03Å
856	L	91.7	Very high	93.1	Very high	64 Å²	64	58 Å²	58	34%	0.335	26%	0.263	S	S	.	.	H	α-helix	trans	-67.5	-18.3	178.7	-68.3	175.9	0	0	0	112.9	K276 A882 Q886	K276-L856 PolarHBondContact NZ-O 2.66Å; K276-L856 VanDerWaalsContact NZ-O 3.1Å; L856-A882 HydrophobicContact CD1-CB 4.15Å; L856-A882 HydrophobicContact CD2-CB 3.73Å; L856-A882 HydrophobicContact CG-CB 3.91Å; L856-Q886 VanDerWaalsContact CD1-CD 3.45Å; L856-Q886 HydrophobicContact CD1-CG 4.22Å
857	E	91.8	Very high	92.8	Very high	34 Å²	34	57.2 Å²	57.2	16%	0.159	26%	0.261	C	S	.	.	H	α-helix	trans	-78.2	-59.2	179.1	-143.9	-172.4	159.8	0	0	110.4	K276 L277 S278 H854 F855 C859	K276-E857 HydrophobicContact CD-CG 4.46Å; L277-E857 HydrophobicContact CB-CG 4.05Å; L277-E857 VanDerWaalsContact CB-OE1 3.28Å; L277-E857 WeakPolarHBondContact CB-OE1 3.44Å; L277-E857 HydrophobicContact CD1-CG 3.63Å; L277-E857 WeakPolarHBondContact CD1-OE1 3.5Å; L277-E857 HydrophobicContact CG-CG 4.45Å; S278-E857 VanDerWaalsContact CB-OE1 3.23Å; S278-E857 WeakPolarHBondContact CB-OE1 3.4Å; S278-E857 PolarHBondContact OG-OE1 3.04Å; S278-E857 PolarHBondContact OG-OE2 2.98Å; H854-E857 HydrophobicContact CB-CB 3.73Å; H854-E857 IonicContact CD2-OE2 3.84Å; H854-E857 PolarHBondContact CD2-OE2 2.75Å; H854-E857 IonicContact CG-OE2 3.89Å; H854-E857 WeakPolarHBondContact O-CB 3.25Å; H854-E857 PolarHBondContact O-N 3.29Å; F855-E857 PolarHBondContact O-N 2.68Å; E857-C859 PolarHBondContact O-N 3.42Å
858	H	91.6	Very high	92.5	Very high	2 Å²	2	65.8 Å²	65.8	1%	0.009	29%	0.291	C	S	.	.	H	α-helix	trans	-91.2	8.7	-177.2	-59.7	-82.5	0	0	0	114.3	S278 F853 H854 K860 R861 F862	S278-H858 WeakPolarHBondContact CB-CE1 3.28Å; S278-H858 VanDerWaalsContact CB-NE2 3.3Å; S278-H858 WeakPolarHBondContact CB-NE2 3.5Å; S278-H858 PolarHBondContact OG-CE1 3.48Å; S278-H858 PolarHBondContact OG-NE2 2.78Å; F853-H858 VanDerWaalsContact CB-CD2 3.46Å; F853-H858 WeakPolarHBondContact CB-CD2 3.37Å; F853-H858 AromaticContact CD1-CE1 3.88Å; F853-H858 AromaticContact CD1-NE2 3.5Å; H854-H858 PolarHBondContact O-N 2.79Å; H858-K860 PolarHBondContact O-N 3.44Å; H858-K860 VanDerWaalsContact O-N 3.11Å; H858-R861 HydrophobicContact CB-CB 4.23Å; H858-R861 WeakPolarHBondContact O-CA 3.49Å; H858-R861 WeakPolarHBondContact O-CB 3.15Å; H858-R861 PolarHBondContact O-N 2.82Å; H858-F862 HydrophobicContact CB-CD2 3.47Å; H858-F862 VanDerWaalsContact CB-CD2 3.47Å; H858-F862 HydrophobicContact CB-CE2 3.4Å; H858-F862 HydrophobicContact CB-CZ 4.47Å; H858-F862 AromaticContact CG-CE2 3.94Å; H858-F862 PolarHBondContact O-N 3.44Å
859	C	90.5	Very high	92.4	Very high	21 Å²	21	67.1 Å²	67.1	14%	0.142	31%	0.31	C	S	.	.	H	α-helix	trans	-51.4	-38.3	174.9	-164	0	0	0	0	112	F855 E857 R861 D863 K879	F855-C859 WeakPolarHBondContact O-CA 2.99Å; F855-C859 VanDerWaalsContact O-CB 3.28Å; F855-C859 WeakPolarHBondContact O-CB 3.45Å; F855-C859 PolarHBondContact O-N 3.19Å; E857-C859 PolarHBondContact O-N 3.42Å; C859-R861 VanDerWaalsContact C-N 3.3Å; C859-R861 PolarHBondContact O-N 3.37Å; C859-D863 WeakPolarHBondContact O-CB 3.25Å; C859-D863 PolarHBondContact O-N 2.87Å; C859-K879 WeakPolarHBondContact SG-CE 3.2Å
860	K	90.6	Very high	92.3	Very high	131 Å²	131	70.9 Å²	70.9	57%	0.57	33%	0.333	S	S	*	.	H	α-helix	trans	-65.7	-27.6	175	-63.2	-176.2	-171.6	176.4	0	113.7	R274 I275 K276 H858	R274-K860 PolarHBondContact O-NZ 2.9Å; I275-K860 PolarHBondContact O-NZ 3.04Å; K276-K860 HydrophobicContact CB-CD 4.03Å; H858-K860 PolarHBondContact O-N 3.44Å; H858-K860 VanDerWaalsContact O-N 3.11Å
861	R	92.2	Very high	92.3	Very high	129 Å²	129	70.6 Å²	70.6	49%	0.487	33%	0.331	S	S	.	.	H	α-helix	trans	-86.5	-34.5	-177	-168.9	174.5	178.6	171	-8.7	111.9	S278 H858 C859	S278-R861 PolarHBondContact O-NH1 2.84Å; H858-R861 HydrophobicContact CB-CB 4.23Å; H858-R861 WeakPolarHBondContact O-CA 3.49Å; H858-R861 WeakPolarHBondContact O-CB 3.15Å; H858-R861 PolarHBondContact O-N 2.82Å; C859-R861 VanDerWaalsContact C-N 3.3Å; C859-R861 PolarHBondContact O-N 3.37Å
862	F	93.3	Very high	92.4	Very high	22 Å²	22	69.6 Å²	69.6	10%	0.096	32%	0.324	C	S	.	.	H	α-helix	trans	-113.5	-17.9	-171.1	-56	-50.8	0	0	0	116	W779 Y787 F853 H858 N864	W779-F862 HydrophobicContact CB-CD2 3.65Å; W779-F862 HydrophobicContact CB-CE2 3.96Å; W779-F862 AromaticContact CD1-CD2 3.64Å; W779-F862 HydrophobicContact CD2-CB 3.6Å; W779-F862 AromaticContact CD2-CD2 3.78Å; W779-F862 HydrophobicContact CD2-CD2 3.78Å; W779-F862 HydrophobicContact CD2-CG 4.11Å; W779-F862 HydrophobicContact CE3-CB 3.58Å; W779-F862 HydrophobicContact CE3-CD2 4.4Å; W779-F862 HydrophobicContact CE3-CG 4.33Å; W779-F862 HydrophobicContact CG-CB 4.21Å; W779-F862 AromaticContact CG-CD2 3.42Å; W779-F862 HydrophobicContact CG-CD2 3.42Å; W779-F862 VanDerWaalsContact CG-CD2 3.42Å; W779-F862 HydrophobicContact CG-CE2 4.16Å; W779-F862 HydrophobicContact CG-CG 4.2Å; W779-F862 HydrophobicContact CH2-CB 3.95Å; W779-F862 HydrophobicContact CZ2-CB 4Å; W779-F862 HydrophobicContact CZ3-CB 3.74Å; Y787-F862 HydrophobicContact CD1-CD1 4.04Å; Y787-F862 HydrophobicContact CD1-CD2 4.35Å; Y787-F862 AromaticContact CD1-CE1 3.68Å; Y787-F862 HydrophobicContact CD1-CE1 3.68Å; Y787-F862 AromaticContact CD1-CE2 4Å; Y787-F862 HydrophobicContact CD1-CE2 4Å; Y787-F862 HydrophobicContact CD1-CG 4.36Å; Y787-F862 AromaticContact CD1-CZ 3.65Å; Y787-F862 HydrophobicContact CD1-CZ 3.65Å; Y787-F862 AromaticContact CD2-CD1 3.5Å; Y787-F862 HydrophobicContact CD2-CD1 3.5Å; Y787-F862 VanDerWaalsContact CD2-CD1 3.5Å; Y787-F862 AromaticContact CD2-CE1 3.37Å; Y787-F862 HydrophobicContact CD2-CE1 3.37Å; Y787-F862 HydrophobicContact CD2-CG 4.42Å; Y787-F862 HydrophobicContact CD2-CZ 4.2Å; Y787-F862 AromaticContact CE1-CE1 3.8Å; Y787-F862 HydrophobicContact CE1-CE1 3.8Å; Y787-F862 HydrophobicContact CE1-CE2 4.31Å; Y787-F862 AromaticContact CE1-CZ 3.63Å; Y787-F862 HydrophobicContact CE1-CZ 3.63Å; Y787-F862 HydrophobicContact CE2-CD1 4.12Å; Y787-F862 AromaticContact CE2-CE1 3.51Å; Y787-F862 HydrophobicContact CE2-CE1 3.51Å; Y787-F862 HydrophobicContact CE2-CZ 4.18Å; Y787-F862 AromaticContact CG-CD1 3.45Å; Y787-F862 HydrophobicContact CG-CD1 3.45Å; Y787-F862 VanDerWaalsContact CG-CD1 3.45Å; Y787-F862 HydrophobicContact CG-CD2 4.38Å; Y787-F862 AromaticContact CG-CE1 3.46Å; Y787-F862 HydrophobicContact CG-CE1 3.46Å; Y787-F862 VanDerWaalsContact CG-CE1 3.46Å; Y787-F862 HydrophobicContact CG-CE2 4.37Å; Y787-F862 AromaticContact CG-CG 3.94Å; Y787-F862 HydrophobicContact CG-CG 3.94Å; Y787-F862 AromaticContact CG-CZ 3.94Å; Y787-F862 HydrophobicContact CG-CZ 3.94Å; Y787-F862 AromaticContact CZ-CE1 3.72Å; Y787-F862 AromaticContact CZ-CZ 3.91Å; F853-F862 HydrophobicContact CB-CE2 3.98Å; F853-F862 HydrophobicContact CD2-CE2 4.36Å; F853-F862 HydrophobicContact CD2-CZ 4.36Å; F853-F862 HydrophobicContact CG-CE2 4.11Å; F853-F862 HydrophobicContact CG-CZ 4.36Å; H858-F862 HydrophobicContact CB-CD2 3.47Å; H858-F862 VanDerWaalsContact CB-CD2 3.47Å; H858-F862 HydrophobicContact CB-CE2 3.4Å; H858-F862 HydrophobicContact CB-CZ 4.47Å; H858-F862 AromaticContact CG-CE2 3.94Å; H858-F862 PolarHBondContact O-N 3.44Å; F862-N864 VanDerWaalsContact C-N 3.34Å; F862-N864 PolarHBondContact O-N 3.03Å
863	D	92.3	Very high	92.3	Very high	25 Å²	25	74.8 Å²	74.8	13%	0.134	35%	0.348	C	S	.	.			trans	-67.2	84.6	173.7	-178.8	-0.5	0	0	0	111.9	C859 K865 V875 K879	C859-D863 WeakPolarHBondContact O-CB 3.25Å; C859-D863 PolarHBondContact O-N 2.87Å; D863-K865 VanDerWaalsContact C-N 3.35Å; D863-K865 PolarHBondContact O-N 3Å; D863-K865 WeakPolarHBondContact OD1-CG 3.44Å; D863-K865 VanDerWaalsContact OD2-CE 3.28Å; D863-K865 WeakPolarHBondContact OD2-CE 3.47Å; D863-V875 HydrophobicContact CB-CG1 4.31Å; D863-K879 IonicContact OD2-NZ 3.49Å; D863-K879 PolarHBondContact OD2-NZ 3.28Å
864	N	89.3	Confident	92.3	Very high	75 Å²	75	74.1 Å²	74.1	40%	0.401	35%	0.345	S	S	.	.			trans	-79.8	82	175.5	-170.1	-14.8	0	0	0	111.2	F862 K866 K867 F871	F862-N864 VanDerWaalsContact C-N 3.34Å; F862-N864 PolarHBondContact O-N 3.03Å; N864-K866 PolarHBondContact O-N 3.15Å; N864-K866 WeakPolarHBondContact OD1-CB 3.25Å; N864-K866 PolarHBondContact OD1-N 3.13Å; N864-K867 HydrophobicContact CB-CG 4.39Å; N864-K867 WeakPolarHBondContact O-CB 3.44Å; N864-K867 PolarHBondContact O-N 2.82Å; N864-F871 HydrophobicContact CB-CE1 4.32Å; N864-F871 HydrophobicContact CB-CZ 4.43Å
865	K	88.9	Confident	92.3	Very high	156 Å²	156	72 Å²	72	68%	0.678	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-7.3	178.2	-59.9	178.7	-174.1	-178.4	0	116.1	D863	D863-K865 VanDerWaalsContact C-N 3.35Å; D863-K865 PolarHBondContact O-N 3Å; D863-K865 WeakPolarHBondContact OD1-CG 3.44Å; D863-K865 VanDerWaalsContact OD2-CE 3.28Å; D863-K865 WeakPolarHBondContact OD2-CE 3.47Å
866	K	89.4	Confident	92.3	Very high	193 Å²	193	74.9 Å²	74.9	84%	0.839	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-17.8	173.4	-58.6	174.4	-178	171.1	0	112.3	N864	N864-K866 PolarHBondContact O-N 3.15Å; N864-K866 WeakPolarHBondContact OD1-CB 3.25Å; N864-K866 PolarHBondContact OD1-N 3.13Å
867	K	88.9	Confident	92.5	Very high	77 Å²	77	73.9 Å²	73.9	34%	0.335	34%	0.344	S	S	.	.			trans	-77.3	153.1	172.7	-68.9	-167.1	170.4	-162	0	111.1	N864 F871	N864-K867 HydrophobicContact CB-CG 4.39Å; N864-K867 WeakPolarHBondContact O-CB 3.44Å; N864-K867 PolarHBondContact O-N 2.82Å; K867-F871 HydrophobicContact CB-CB 4.46Å; K867-F871 HydrophobicContact CB-CD1 3.37Å; K867-F871 HydrophobicContact CB-CE1 3.87Å; K867-F871 HydrophobicContact CB-CG 4.1Å; K867-F871 HydrophobicContact CD-CB 4.39Å; K867-F871 HydrophobicContact CD-CD1 3.65Å; K867-F871 HydrophobicContact CD-CD2 4.11Å; K867-F871 HydrophobicContact CD-CE1 3.88Å; K867-F871 HydrophobicContact CD-CE2 4.32Å; K867-F871 HydrophobicContact CD-CG 3.76Å; K867-F871 HydrophobicContact CD-CZ 4.21Å; K867-F871 HydrophobicContact CG-CD1 4.08Å; K867-F871 HydrophobicContact CG-CE1 4.31Å
868	R	89.1	Confident	92.7	Very high	228 Å²	228	72.2 Å²	72.2	86%	0.86	34%	0.337	S	S	*	.			trans	-139.3	171.7	-178.2	-65.6	-176.7	175.8	-175.5	-2.3	109.4
869	G	93.1	Very high	92.9	Very high	56 Å²	56	74 Å²	74	58%	0.577	34%	0.344	S	S	*	.	S	Bend	trans	73.1	-150.6	-176.1	0	0	0	0	0	111.9	F871 R872 Q873	G869-F871 VanDerWaalsContact C-N 3.29Å; G869-F871 PolarHBondContact O-N 3.15Å; G869-F871 VanDerWaalsContact O-N 3.13Å; G869-R872 WeakPolarHBondContact O-CA 3.39Å; G869-R872 PolarHBondContact O-N 2.64Å; G869-Q873 PolarHBondContact O-N 2.99Å
870	V	94.1	Very high	93.1	Very high	79 Å²	79	76.9 Å²	76.9	48%	0.479	36%	0.355	S	S	.	.	H	α-helix	trans	-48.8	-42.8	-171	-168.7	0	0	0	0	113.5	W788 A840 R872 Q873 A874	W788-V870 HydrophobicContact CH2-CB 4.46Å; W788-V870 HydrophobicContact CH2-CG1 4.35Å; W788-V870 HydrophobicContact CZ2-CG1 4.13Å; A840-V870 HydrophobicContact CB-CG1 3.62Å; A840-V870 WeakPolarHBondContact O-CG1 3.5Å; V870-R872 PolarHBondContact O-N 3.49Å; V870-R872 VanDerWaalsContact O-N 3.15Å; V870-Q873 WeakPolarHBondContact O-CA 3.14Å; V870-Q873 WeakPolarHBondContact O-CB 3.47Å; V870-Q873 PolarHBondContact O-N 3.39Å; V870-A874 WeakPolarHBondContact O-CB 3.42Å; V870-A874 PolarHBondContact O-N 2.55Å
871	F	94.5	Very high	93.3	Very high	11 Å²	11	71.6 Å²	71.6	5%	0.048	34%	0.337	C	S	.	.	H	α-helix	trans	-55.8	-35	175.7	175.8	-92	0	0	0	113.7	P786 Y787 W788 N864 K867 G869 V875	P786-F871 HydrophobicContact CB-CE2 4.31Å; P786-F871 HydrophobicContact CG-CD2 3.95Å; P786-F871 HydrophobicContact CG-CE2 3.91Å; Y787-F871 WeakPolarHBondContact O-CE2 3.32Å; W788-F871 HydrophobicContact CD2-CD2 4.28Å; W788-F871 AromaticContact CE3-CD2 3.72Å; W788-F871 HydrophobicContact CE3-CD2 3.72Å; W788-F871 HydrophobicContact CE3-CE2 4.49Å; W788-F871 VanDerWaalsContact CH2-CA 3.49Å; W788-F871 HydrophobicContact CH2-CB 3.78Å; W788-F871 HydrophobicContact CH2-CD2 4.34Å; W788-F871 HydrophobicContact CZ3-CB 3.85Å; W788-F871 AromaticContact CZ3-CD2 3.75Å; W788-F871 HydrophobicContact CZ3-CD2 3.75Å; W788-F871 HydrophobicContact CZ3-CG 4.31Å; N864-F871 HydrophobicContact CB-CE1 4.32Å; N864-F871 HydrophobicContact CB-CZ 4.43Å; K867-F871 HydrophobicContact CB-CB 4.46Å; K867-F871 HydrophobicContact CB-CD1 3.37Å; K867-F871 HydrophobicContact CB-CE1 3.87Å; K867-F871 HydrophobicContact CB-CG 4.1Å; K867-F871 HydrophobicContact CD-CB 4.39Å; K867-F871 HydrophobicContact CD-CD1 3.65Å; K867-F871 HydrophobicContact CD-CD2 4.11Å; K867-F871 HydrophobicContact CD-CE1 3.88Å; K867-F871 HydrophobicContact CD-CE2 4.32Å; K867-F871 HydrophobicContact CD-CG 3.76Å; K867-F871 HydrophobicContact CD-CZ 4.21Å; K867-F871 HydrophobicContact CG-CD1 4.08Å; K867-F871 HydrophobicContact CG-CE1 4.31Å; G869-F871 VanDerWaalsContact C-N 3.29Å; G869-F871 PolarHBondContact O-N 3.15Å; G869-F871 VanDerWaalsContact O-N 3.13Å; F871-V875 HydrophobicContact CD1-CG2 4.46Å; F871-V875 HydrophobicContact CE1-CG2 4.04Å; F871-V875 HydrophobicContact CE2-CG2 4.16Å; F871-V875 HydrophobicContact CZ-CG2 3.88Å; F871-V875 WeakPolarHBondContact O-CB 2.99Å; F871-V875 VanDerWaalsContact O-CG2 3.28Å; F871-V875 WeakPolarHBondContact O-CG2 3.27Å; F871-V875 PolarHBondContact O-N 2.92Å; F871-V875 VanDerWaalsContact O-N 3.11Å
872	R	94.6	Very high	93.4	Very high	98 Å²	98	65.7 Å²	65.7	37%	0.37	32%	0.315	S	S	.	.	H	α-helix	trans	-84.2	-23.8	179.1	-175.4	60	-150.2	-101.1	-2	112.5	G869 V870 N876	G869-R872 WeakPolarHBondContact O-CA 3.39Å; G869-R872 PolarHBondContact O-N 2.64Å; V870-R872 PolarHBondContact O-N 3.49Å; V870-R872 VanDerWaalsContact O-N 3.15Å; R872-N876 PolarHBondContact NE-OD1 3.42Å; R872-N876 PolarHBondContact NH2-OD1 2.89Å; R872-N876 WeakPolarHBondContact O-CB 3.2Å; R872-N876 PolarHBondContact O-N 2.76Å; R872-N876 PolarHBondContact O-OD1 3.4Å
873	Q	95.1	Very high	93.4	Very high	110 Å²	110	67.8 Å²	67.8	51%	0.514	33%	0.325	S	S	.	.	H	α-helix	trans	-64.5	-56.7	164.9	-179.8	176.5	-18.6	0	0	109	A840 G869 V870 V875 N876 E877	A840-Q873 HydrophobicContact CB-CB 4.42Å; A840-Q873 HydrophobicContact CB-CG 4.11Å; G869-Q873 PolarHBondContact O-N 2.99Å; V870-Q873 WeakPolarHBondContact O-CA 3.14Å; V870-Q873 WeakPolarHBondContact O-CB 3.47Å; V870-Q873 PolarHBondContact O-N 3.39Å; Q873-V875 VanDerWaalsContact C-N 3.29Å; Q873-V875 PolarHBondContact O-N 3.48Å; Q873-V875 VanDerWaalsContact O-N 3.16Å; Q873-N876 CarbonylContact O-C 3.42Å; Q873-N876 WeakPolarHBondContact O-CA 3.4Å; Q873-N876 WeakPolarHBondContact O-CB 3.34Å; Q873-N876 PolarHBondContact O-N 2.89Å; Q873-E877 VanDerWaalsContact O-CB 3.31Å; Q873-E877 WeakPolarHBondContact O-CB 3.44Å; Q873-E877 PolarHBondContact O-N 3.49Å
874	A	96.3	Very high	93.3	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-46.6	-47.8	175.1	0	0	0	0	0	113.5	W788 P789 F839 A840 V870 N876 E877 A878	W788-A874 HydrophobicContact CZ2-CB 3.79Å; P789-A874 HydrophobicContact CG-CB 4.01Å; F839-A874 HydrophobicContact CB-CB 3.99Å; F839-A874 WeakPolarHBondContact CB-O 3.25Å; F839-A874 WeakPolarHBondContact O-CB 3.23Å; A840-A874 HydrophobicContact CB-CB 4.18Å; V870-A874 WeakPolarHBondContact O-CB 3.42Å; V870-A874 PolarHBondContact O-N 2.55Å; A874-N876 VanDerWaalsContact C-N 3.33Å; A874-N876 PolarHBondContact O-N 3.49Å; A874-E877 PolarHBondContact O-N 3.15Å; A874-A878 WeakPolarHBondContact O-CB 3.19Å; A874-A878 PolarHBondContact O-N 3Å
875	V	95.7	Very high	93.3	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-78.3	-11.1	-179.1	172.4	0	0	0	0	113.9	W779 P789 D863 F871 Q873 K879	W779-V875 HydrophobicContact CH2-CG1 4.23Å; W779-V875 HydrophobicContact CH2-CG2 3.63Å; W779-V875 HydrophobicContact CZ3-CG2 3.94Å; P789-V875 HydrophobicContact CG-CG2 3.89Å; D863-V875 HydrophobicContact CB-CG1 4.31Å; F871-V875 HydrophobicContact CD1-CG2 4.46Å; F871-V875 HydrophobicContact CE1-CG2 4.04Å; F871-V875 HydrophobicContact CE2-CG2 4.16Å; F871-V875 HydrophobicContact CZ-CG2 3.88Å; F871-V875 WeakPolarHBondContact O-CB 2.99Å; F871-V875 VanDerWaalsContact O-CG2 3.28Å; F871-V875 WeakPolarHBondContact O-CG2 3.27Å; F871-V875 PolarHBondContact O-N 2.92Å; F871-V875 VanDerWaalsContact O-N 3.11Å; Q873-V875 VanDerWaalsContact C-N 3.29Å; Q873-V875 PolarHBondContact O-N 3.48Å; Q873-V875 VanDerWaalsContact O-N 3.16Å; V875-K879 VanDerWaalsContact O-CD 3.29Å; V875-K879 WeakPolarHBondContact O-CD 3.48Å; V875-K879 VanDerWaalsContact O-CG 3.29Å; V875-K879 WeakPolarHBondContact O-CG 3.48Å; V875-K879 PolarHBondContact O-NZ 2.8Å
876	N	95.2	Very high	93	Very high	62 Å²	62	67.6 Å²	67.6	33%	0.332	32%	0.318	S	S	.	.	H	α-helix	trans	-89.1	-38.9	165.9	-75	-5.7	0	0	0	111.3	R872 Q873 A874 K879 Q880	R872-N876 PolarHBondContact NE-OD1 3.42Å; R872-N876 PolarHBondContact NH2-OD1 2.89Å; R872-N876 WeakPolarHBondContact O-CB 3.2Å; R872-N876 PolarHBondContact O-N 2.76Å; R872-N876 PolarHBondContact O-OD1 3.4Å; Q873-N876 CarbonylContact O-C 3.42Å; Q873-N876 WeakPolarHBondContact O-CA 3.4Å; Q873-N876 WeakPolarHBondContact O-CB 3.34Å; Q873-N876 PolarHBondContact O-N 2.89Å; A874-N876 VanDerWaalsContact C-N 3.33Å; A874-N876 PolarHBondContact O-N 3.49Å; N876-K879 WeakPolarHBondContact O-CA 3.22Å; N876-K879 WeakPolarHBondContact O-CB 3.18Å; N876-K879 PolarHBondContact O-N 2.84Å; N876-Q880 WeakPolarHBondContact O-CG 3.47Å; N876-Q880 PolarHBondContact O-N 2.92Å; N876-Q880 PolarHBondContact O-NE2 3.22Å
877	E	95.6	Very high	92.6	Very high	42 Å²	42	62.6 Å²	62.6	20%	0.196	30%	0.297	C	S	.	.	H	α-helix	trans	-69.4	-44.2	-178.7	-155.2	172.7	-154.4	0	0	110.9	F839 A840 Q873 A874 K879 Q880 A881 S1354	F839-E877 HydrophobicContact CB-CB 4.26Å; F839-E877 HydrophobicContact CD1-CB 3.99Å; F839-E877 HydrophobicContact CD1-CG 3.89Å; F839-E877 HydrophobicContact CG-CB 4.49Å; A840-E877 WeakPolarHBondContact CB-OE2 3.29Å; A840-E877 PolarHBondContact N-OE2 3.13Å; Q873-E877 VanDerWaalsContact O-CB 3.31Å; Q873-E877 WeakPolarHBondContact O-CB 3.44Å; Q873-E877 PolarHBondContact O-N 3.49Å; A874-E877 PolarHBondContact O-N 3.15Å; E877-K879 PolarHBondContact O-N 3.31Å; E877-Q880 PolarHBondContact O-N 3.38Å; E877-A881 VanDerWaalsContact O-CB 3.27Å; E877-A881 WeakPolarHBondContact O-CB 3.43Å; E877-A881 PolarHBondContact O-N 2.71Å; E877-S1354 WeakPolarHBondContact OE1-CB 3.48Å; E877-S1354 PolarHBondContact OE1-OG 3.04Å; E877-S1354 WeakPolarHBondContact OE2-CB 3.18Å; E877-S1354 PolarHBondContact OE2-OG 3.35Å
878	A	96.6	Very high	91.8	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.4	-26.9	168.4	0	0	0	0	0	113.5	L777 P789 F839 F855 A874 A882	L777-A878 WeakPolarHBondContact CD1-O 3.48Å; P789-A878 HydrophobicContact CB-CB 3.48Å; P789-A878 VanDerWaalsContact CB-CB 3.48Å; P789-A878 HydrophobicContact CG-CB 3.82Å; F839-A878 HydrophobicContact CB-CB 4.38Å; F839-A878 HydrophobicContact CD1-CB 4.33Å; F839-A878 HydrophobicContact CD2-CB 3.44Å; F839-A878 VanDerWaalsContact CD2-CB 3.44Å; F839-A878 HydrophobicContact CE2-CB 3.7Å; F839-A878 HydrophobicContact CG-CB 3.79Å; F839-A878 HydrophobicContact CZ-CB 4.27Å; F855-A878 HydrophobicContact CD2-CB 4.2Å; F855-A878 HydrophobicContact CE1-CB 4.11Å; F855-A878 WeakPolarHBondContact CE1-O 3.25Å; F855-A878 HydrophobicContact CE2-CB 3.6Å; F855-A878 HydrophobicContact CZ-CB 3.53Å; A874-A878 WeakPolarHBondContact O-CB 3.19Å; A874-A878 PolarHBondContact O-N 3Å; A878-A882 VanDerWaalsContact O-CB 3.27Å; A878-A882 WeakPolarHBondContact O-CB 3.46Å; A878-A882 PolarHBondContact O-N 2.85Å
879	K	95.4	Very high	90.5	Very high	38 Å²	38	57.9 Å²	57.9	17%	0.165	29%	0.292	C	S	.	.	H	α-helix	trans	-70.4	-59.9	170.6	-81.8	174.8	-173.7	130.5	0	109.5	F855 C859 D863 V875 N876 E877 A881 A882 E883	F855-K879 HydrophobicContact CE1-CG 3.97Å; F855-K879 HydrophobicContact CZ-CG 3.86Å; C859-K879 WeakPolarHBondContact SG-CE 3.2Å; D863-K879 IonicContact OD2-NZ 3.49Å; D863-K879 PolarHBondContact OD2-NZ 3.28Å; V875-K879 VanDerWaalsContact O-CD 3.29Å; V875-K879 WeakPolarHBondContact O-CD 3.48Å; V875-K879 VanDerWaalsContact O-CG 3.29Å; V875-K879 WeakPolarHBondContact O-CG 3.48Å; V875-K879 PolarHBondContact O-NZ 2.8Å; N876-K879 WeakPolarHBondContact O-CA 3.22Å; N876-K879 WeakPolarHBondContact O-CB 3.18Å; N876-K879 PolarHBondContact O-N 2.84Å; E877-K879 PolarHBondContact O-N 3.31Å; K879-A881 PolarHBondContact O-N 2.59Å; K879-A881 VanDerWaalsContact O-N 3.08Å; K879-A882 WeakPolarHBondContact O-CB 3.22Å; K879-A882 PolarHBondContact O-N 2.76Å; K879-E883 WeakPolarHBondContact O-CB 3.2Å; K879-E883 WeakPolarHBondContact O-CG 3.36Å; K879-E883 PolarHBondContact O-N 3.21Å
880	Q	94.8	Very high	88.9	Confident	82 Å²	82	58.4 Å²	58.4	38%	0.383	29%	0.287	S	S	.	.	H	α-helix	trans	-49.1	-36.2	173.8	-75.8	161.8	132.3	0	0	113.4	N876 E877 K884 E1082	N876-Q880 WeakPolarHBondContact O-CG 3.47Å; N876-Q880 PolarHBondContact O-N 2.92Å; N876-Q880 PolarHBondContact O-NE2 3.22Å; E877-Q880 PolarHBondContact O-N 3.38Å; Q880-K884 WeakPolarHBondContact O-CB 3.4Å; Q880-K884 PolarHBondContact O-N 2.94Å; Q880-E1082 WeakPolarHBondContact CB-OE1 3.26Å; Q880-E1082 WeakPolarHBondContact CG-OE1 3.06Å
881	A	95.4	Very high	87.2	Confident	21 Å²	21	59.6 Å²	59.6	17%	0.174	29%	0.294	C	S	.	.	H	α-helix	trans	-81.2	-34.8	178.1	0	0	0	0	0	114.5	L777 F839 E877 K879 E883 R885	L777-A881 HydrophobicContact CD1-CB 3.94Å; F839-A881 HydrophobicContact CE1-CB 3.51Å; F839-A881 HydrophobicContact CZ-CB 3.66Å; E877-A881 VanDerWaalsContact O-CB 3.27Å; E877-A881 WeakPolarHBondContact O-CB 3.43Å; E877-A881 PolarHBondContact O-N 2.71Å; K879-A881 PolarHBondContact O-N 2.59Å; K879-A881 VanDerWaalsContact O-N 3.08Å; A881-E883 VanDerWaalsContact C-N 3.25Å; A881-R885 PolarHBondContact O-N 3.33Å
882	A	94.6	Very high	85	Confident	5 Å²	5	65.3 Å²	65.3	4%	0.041	33%	0.325	C	S	.	.	H	α-helix	trans	-62.1	-46.2	167.3	0	0	0	0	0	108.7	L777 F855 L856 A878 K879 R885 Q886	L777-A882 HydrophobicContact CD1-CB 3.85Å; F855-A882 HydrophobicContact CD1-CB 3.83Å; F855-A882 HydrophobicContact CE1-CB 4.03Å; L856-A882 HydrophobicContact CD1-CB 4.15Å; L856-A882 HydrophobicContact CD2-CB 3.73Å; L856-A882 HydrophobicContact CG-CB 3.91Å; A878-A882 VanDerWaalsContact O-CB 3.27Å; A878-A882 WeakPolarHBondContact O-CB 3.46Å; A878-A882 PolarHBondContact O-N 2.85Å; K879-A882 WeakPolarHBondContact O-CB 3.22Å; K879-A882 PolarHBondContact O-N 2.76Å; A882-R885 PolarHBondContact O-N 2.88Å; A882-Q886 WeakPolarHBondContact O-CB 3.47Å; A882-Q886 WeakPolarHBondContact O-CG 3.5Å; A882-Q886 PolarHBondContact O-N 3.06Å
883	E	92.9	Very high	82.5	Confident	65 Å²	65	66 Å²	66	30%	0.304	35%	0.345	S	S	.	.	H	α-helix	trans	-60.8	-49.7	-178.5	-67.3	166	-163.8	0	0	109.3	K879 A881 R885 Q886 E887 V1083 N1084	K879-E883 WeakPolarHBondContact O-CB 3.2Å; K879-E883 WeakPolarHBondContact O-CG 3.36Å; K879-E883 PolarHBondContact O-N 3.21Å; A881-E883 VanDerWaalsContact C-N 3.25Å; E883-R885 PolarHBondContact O-N 3.15Å; E883-Q886 PolarHBondContact O-N 3.32Å; E883-E887 PolarHBondContact O-N 3.41Å; E883-V1083 VanDerWaalsContact C-CG2 3.45Å; E883-V1083 HydrophobicContact CB-CB 4.12Å; E883-V1083 HydrophobicContact CB-CG1 3.73Å; E883-V1083 HydrophobicContact CB-CG2 3.44Å; E883-V1083 VanDerWaalsContact CB-CG2 3.44Å; E883-V1083 HydrophobicContact CG-CG1 4.49Å; E883-V1083 CarbonylContact O-C 3.57Å; E883-V1083 WeakPolarHBondContact O-CA 3.32Å; E883-N1084 WeakPolarHBondContact CA-OD1 3.03Å; E883-N1084 HydrophobicContact CB-CB 3.98Å; E883-N1084 HydrophobicContact CG-CB 4.26Å; E883-N1084 WeakPolarHBondContact CG-OD1 3.43Å; E883-N1084 WeakPolarHBondContact O-CA 3.22Å; E883-N1084 WeakPolarHBondContact O-CB 2.77Å; E883-N1084 PolarHBondContact O-N 2.75Å
884	K	90.6	Very high	79.7	Confident	121 Å²	121	70.2 Å²	70.2	53%	0.526	36%	0.364	S	S	.	.	H	α-helix	trans	-59	-47.3	177	-173.7	179	178.2	-177.9	0	112.8	Q880 Q886 E887	Q880-K884 WeakPolarHBondContact O-CB 3.4Å; Q880-K884 PolarHBondContact O-N 2.94Å; K884-Q886 VanDerWaalsContact C-N 3.25Å; K884-Q886 PolarHBondContact O-N 3.2Å; K884-E887 PolarHBondContact O-N 3.36Å
885	R	87.5	Confident	76.9	Confident	94 Å²	94	75 Å²	75	36%	0.355	40%	0.398	S	S	.	.	H	α-helix	trans	-60.7	-35.2	178.1	-84.7	-164.2	170.7	79.4	2	113.7	G775 Q791 A881 A882 E883 E887 T888	G775-R885 WeakPolarHBondContact O-CD 3.35Å; G775-R885 PolarHBondContact O-NE 2.82Å; G775-R885 PolarHBondContact O-NH1 3.13Å; G775-R885 PolarHBondContact O-NH2 3.29Å; Q791-R885 VanDerWaalsContact NE2-NH2 3.18Å; A881-R885 PolarHBondContact O-N 3.33Å; A882-R885 PolarHBondContact O-N 2.88Å; E883-R885 PolarHBondContact O-N 3.15Å; R885-E887 VanDerWaalsContact C-N 3.27Å; R885-T888 PolarHBondContact O-OG1 2.92Å
886	Q	84.1	Confident	74.3	Confident	37 Å²	37	81.2 Å²	81.2	17%	0.173	43%	0.431	C	S	.	.	H	α-helix	trans	-72.7	-20.9	178	-73.2	-154.3	-60.2	0	0	110.4	L856 A882 E883 K884 N1084 I1085 S1086	L856-Q886 VanDerWaalsContact CD1-CD 3.45Å; L856-Q886 HydrophobicContact CD1-CG 4.22Å; A882-Q886 WeakPolarHBondContact O-CB 3.47Å; A882-Q886 WeakPolarHBondContact O-CG 3.5Å; A882-Q886 PolarHBondContact O-N 3.06Å; E883-Q886 PolarHBondContact O-N 3.32Å; K884-Q886 VanDerWaalsContact C-N 3.25Å; K884-Q886 PolarHBondContact O-N 3.2Å; Q886-N1084 HydrophobicContact CB-CB 4.01Å; Q886-N1084 VanDerWaalsContact OE1-CG 3.28Å; Q886-N1084 PolarHBondContact OE1-ND2 3.11Å; Q886-N1084 PolarHBondContact OE1-OD1 2.88Å; Q886-I1085 VanDerWaalsContact C-N 3.25Å; Q886-I1085 HydrophobicContact CB-CG1 3.9Å; Q886-I1085 HydrophobicContact CG-CG1 4.24Å; Q886-I1085 PolarHBondContact NE2-O 2.82Å; Q886-I1085 WeakPolarHBondContact O-CB 3.38Å; Q886-I1085 VanDerWaalsContact O-CG1 3.23Å; Q886-I1085 WeakPolarHBondContact O-CG1 3.25Å; Q886-I1085 VanDerWaalsContact O-CG2 3.25Å; Q886-I1085 WeakPolarHBondContact O-CG2 3.37Å; Q886-I1085 PolarHBondContact O-N 2.98Å; Q886-I1085 PolarHBondContact OE1-O 3.33Å; Q886-S1086 PolarHBondContact NE2-OG 3.49Å
887	E	79.7	Confident	71.9	Confident	88 Å²	88	89.7 Å²	89.7	41%	0.411	46%	0.459	S	S	.	.	H	α-helix	trans	-70.6	-45.5	177.3	-154.9	-177.3	-158.3	0	0	112.5	E883 K884 R885 H889 S890 E1082 V1083 N1084	E883-E887 PolarHBondContact O-N 3.41Å; K884-E887 PolarHBondContact O-N 3.36Å; R885-E887 VanDerWaalsContact C-N 3.27Å; E887-H889 PolarHBondContact O-N 2.78Å; E887-H889 VanDerWaalsContact O-N 3.13Å; E887-S890 WeakPolarHBondContact O-CB 3.46Å; E887-S890 PolarHBondContact O-N 3.42Å; E887-S890 PolarHBondContact O-OG 3.13Å; E887-E1082 VanDerWaalsContact OE2-C 3.28Å; E887-V1083 VanDerWaalsContact CB-C 3.47Å; E887-V1083 PolarHBondContact OE2-N 2.63Å; E887-N1084 VanDerWaalsContact CB-N 3.3Å; E887-N1084 VanDerWaalsContact N-N 3.13Å
888	T	73.6	Confident	69.3	Low	80 Å²	80	93.5 Å²	93.5	49%	0.491	48%	0.48	S	S	.	.	H	α-helix	trans	-61.2	-28.1	-175.1	46.8	0	0	0	0	112.3	R885 S890 T891	R885-T888 PolarHBondContact O-OG1 2.92Å; T888-S890 PolarHBondContact O-N 3.23Å; T888-T891 PolarHBondContact O-OG1 3.08Å
889	H	61.7	Low	66.6	Low	126 Å²	126	101.3 Å²	101.3	58%	0.583	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	7.8	176.2	-154.6	-40.9	0	0	0	113.4	E887 I1085	E887-H889 PolarHBondContact O-N 2.78Å; E887-H889 VanDerWaalsContact O-N 3.13Å; H889-I1085 HydrophobicContact CB-CD1 3.72Å; H889-I1085 HydrophobicContact CB-CG1 4.2Å
890	S	60.1	Low	63.9	Low	68 Å²	68	107.7 Å²	107.7	48%	0.476	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-13.6	172.4	-7.2	0	0	0	0	114.1	E887 T888 I1085	E887-S890 WeakPolarHBondContact O-CB 3.46Å; E887-S890 PolarHBondContact O-N 3.42Å; E887-S890 PolarHBondContact O-OG 3.13Å; T888-S890 PolarHBondContact O-N 3.23Å; S890-I1085 WeakPolarHBondContact OG-CG2 3.48Å
891	T	57.4	Low	61.3	Low	103 Å²	103	107.7 Å²	107.7	63%	0.632	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	-19	-164.4	38.7	0	0	0	0	114.3	T888	T888-T891 PolarHBondContact O-OG1 3.08Å
892	D	47.8	Very low	58.6	Low	132 Å²	132	111 Å²	111	71%	0.706	57%	0.571	S	S	*	*	S	Bend	trans	-85.4	114.6	166.6	-63.4	-34.8	0	0	0	108
893	S	41.9	Very low	55.9	Low	111 Å²	111	113.1 Å²	113.1	78%	0.776	59%	0.594	S	S	*	*			trans	-66	150.7	-175.2	-64.7	0	0	0	0	113.2	S895	S893-S895 PolarHBondContact O-N 3.12Å; S893-S895 VanDerWaalsContact O-N 3.15Å
894	E	36.5	Very low	53.2	Low	199 Å²	199	112.8 Å²	112.8	93%	0.93	61%	0.608	S	S	*	*	S	Bend	trans	-75	98	-177.2	-62.4	170.3	126.9	0	0	111.7
895	S	37.3	Very low	50.7	Low	101 Å²	101	111.3 Å²	111.3	71%	0.706	60%	0.604	S	S	*	*			trans	-160.2	148.7	168.3	59	0	0	0	0	113.2	S893	S893-S895 PolarHBondContact O-N 3.12Å; S893-S895 VanDerWaalsContact O-N 3.15Å
896	D	41.4	Very low	48.2	Very low	131 Å²	131	110.9 Å²	110.9	70%	0.701	61%	0.612	S	S	*	*			trans	73.3	74.3	150.7	-157.1	35.4	0	0	0	118.8
897	W	45	Very low	46	Very low	240 Å²	240	112.9 Å²	112.9	91%	0.909	62%	0.621	S	S	*	*			trans	-151.7	-0.8	155.7	-77.1	113.2	0	0	0	115.8
898	D	40.5	Very low	44	Very low	121 Å²	121	115.5 Å²	115.5	65%	0.647	63%	0.633	S	S	*	*	S	Bend	trans	-107.1	50.3	-175.3	-70.6	-51.8	0	0	0	112.8
899	H	40.4	Very low	42.2	Very low	164 Å²	164	117.6 Å²	117.6	76%	0.759	64%	0.637	S	S	*	*			trans	-141.6	168.7	170.4	-85.1	-43.1	0	0	0	111.8
900	E	39.6	Very low	41.1	Very low	173 Å²	173	113.1 Å²	113.1	81%	0.808	62%	0.62	S	S	*	*			trans	54.8	100.3	-173.6	-71.2	-160.7	116.3	0	0	116.6
901	L	39.3	Very low	40	Very low	82 Å²	82	114.7 Å²	114.7	43%	0.429	62%	0.623	S	S	.	*				-130	146.7	100.4	-46.1	65.3	0	0	0	107.2	P1094 N1095 T1096	L901-P1094 HydrophobicContact CD1-CB 4.14Å; L901-N1095 CarbonylContact O-C 3.26Å; L901-T1096 PolarHBondContact O-N 2.7Å
902	S	39.5	Very low	39	Very low	91 Å²	91	112.8 Å²	112.8	64%	0.636	61%	0.614	S	S	*	*			trans	169.6	122.8	160.1	-107.7	0	0	0	0	112.2	N1095 T1096 D1097	S902-N1095 PolarHBondContact OG-O 2.81Å; S902-T1096 WeakPolarHBondContact CA-O 3.17Å; S902-T1096 PolarHBondContact OG-N 3.21Å; S902-D1097 CarbonylContact C-O 2.98Å; S902-D1097 PolarHBondContact N-O 2.59Å
903	G	36.8	Very low	38.6	Very low	49 Å²	49	114.4 Å²	114.4	51%	0.505	62%	0.617	S	S	.	*			trans	170	-166.7	170.2	0	0	0	0	0	118.8	T1096 N1098	G903-T1096 PolarHBondContact N-O 3.25Å; G903-N1098 VanDerWaalsContact C-CB 3.44Å; G903-N1098 VanDerWaalsContact O-CB 3.24Å; G903-N1098 WeakPolarHBondContact O-CB 3.31Å; G903-N1098 PolarHBondContact O-ND2 2.81Å
904	G	36.3	Very low	38.5	Very low	58 Å²	58	114.2 Å²	114.2	60%	0.598	62%	0.616	S	S	*	*			trans	-155.9	146.1	174.2	0	0	0	0	0	110.5
905	I	37.7	Very low	38.5	Very low	90 Å²	90	109.6 Å²	109.6	46%	0.462	61%	0.605	S	S	.	*				67.9	133.5	58.7	-82.5	-177.5	0	0	0	114.6	N1098 K1099	I905-N1098 WeakPolarHBondContact CD1-OD1 3.13Å; I905-N1098 VanDerWaalsContact CG1-OD1 3.24Å; I905-N1098 WeakPolarHBondContact CG1-OD1 3.36Å; I905-K1099 HydrophobicContact CD1-CB 4.39Å; I905-K1099 HydrophobicContact CD1-CD 3.73Å; I905-K1099 HydrophobicContact CD1-CG 4.13Å; I905-K1099 HydrophobicContact CG1-CB 3.85Å; I905-K1099 HydrophobicContact CG1-CD 4.06Å; I905-K1099 HydrophobicContact CG1-CG 4.14Å; I905-K1099 PolarHBondContact N-O 3.36Å
906	V	36.1	Very low	38.4	Very low	84 Å²	84	113 Å²	113	51%	0.509	61%	0.611	S	S	.	*			cis	-167.3	146.2	-26.6	97.6	0	0	0	0	112.9
907	H	37.4	Very low	38.2	Very low	79 Å²	79	113.6 Å²	113.6	37%	0.366	61%	0.612	S	S	.	*			trans	49.1	-179.4	146	-141.9	39.7	0	0	0	126.6	H1101 Q1102	H907-H1101 VanDerWaalsContact CB-O 3.24Å; H907-H1101 WeakPolarHBondContact CB-O 3.3Å; H907-H1101 PolarHBondContact ND1-O 2.91Å; H907-Q1102 PolarHBondContact CD2-N 2.89Å; H907-Q1102 VanDerWaalsContact CD2-N 3.34Å; H907-Q1102 VanDerWaalsContact CE1-C 3.45Å; H907-Q1102 PolarHBondContact CE1-N 2.69Å; H907-Q1102 PolarHBondContact CE1-O 3.33Å; H907-Q1102 VanDerWaalsContact CG-N 3.32Å; H907-Q1102 PolarHBondContact ND1-N 2.92Å; H907-Q1102 WeakPolarHBondContact NE2-CB 3.08Å; H907-Q1102 PolarHBondContact NE2-N 3.12Å
908	Q	37.1	Very low	38.1	Very low	144 Å²	144	107.7 Å²	107.7	67%	0.673	61%	0.605	S	S	*	*			trans	-143.1	-143.8	176.2	-67.1	-175.3	-28	0	0	109
909	Q	37	Very low	38	Very low	123 Å²	123	109.1 Å²	109.1	58%	0.575	62%	0.617	S	S	*	*			cis	-167.8	-172.8	2.3	-140.3	179.5	75.9	0	0	107
910	S	38.5	Very low	37.8	Very low	32 Å²	32	108.9 Å²	108.9	22%	0.224	62%	0.621	C	S	.	*			cis	-173.6	150	10	53.3	0	0	0	0	114.7
911	L	36.7	Very low	37.6	Very low	101 Å²	101	107.9 Å²	107.9	53%	0.529	62%	0.621	S	S	.	*			trans	70.3	150.8	142.2	-72.3	160.5	0	0	0	123.8	V1104 E1105 N1106 S1107	L911-V1104 HydrophobicContact CD1-CG1 4.48Å; L911-E1105 HydrophobicContact CD1-CG 3.97Å; L911-N1106 VanDerWaalsContact C-OD1 3.29Å; L911-N1106 WeakPolarHBondContact CB-OD1 3.47Å; L911-N1106 PolarHBondContact O-OD1 2.77Å; L911-S1107 VanDerWaalsContact O-CA 3.31Å; L911-S1107 WeakPolarHBondContact O-CA 3.2Å; L911-S1107 PolarHBondContact O-N 2.98Å
912	S	36.3	Very low	37.5	Very low	64 Å²	64	106.9 Å²	106.9	45%	0.448	63%	0.63	S	S	.	*				-171.9	176.2	124.3	-146.4	0	0	0	0	115.3	N1106 S1107	S912-N1106 PolarHBondContact OG-OD1 2.79Å; S912-S1107 WeakPolarHBondContact CB-OG 3.42Å; S912-S1107 WeakPolarHBondContact OG-CB 3.28Å; S912-S1107 PolarHBondContact OG-OG 3.34Å
913	Q	38.2	Very low	37.4	Very low	166 Å²	166	107.4 Å²	107.4	78%	0.776	63%	0.634	S	S	*	*			trans	-159.7	161	-151.9	-171	-175	106.6	0	0	116.6
914	S	40.4	Very low	37.5	Very low	107 Å²	107	112.6 Å²	112.6	75%	0.748	64%	0.642	S	S	*	*			trans	143.3	161.9	147.2	-67.5	0	0	0	0	114.7
915	S	36	Very low	37.5	Very low	101 Å²	101	116.5 Å²	116.5	71%	0.706	65%	0.645	S	S	*	*			cis	177.2	142.6	-41	59.4	0	0	0	0	111.9
916	E	35.7	Very low	37.6	Very low	174 Å²	174	117.1 Å²	117.1	81%	0.813	66%	0.657	S	S	*	*			trans	171.1	143	143	-100.4	-170.3	152.5	0	0	119.2
917	I	37.8	Very low	37.5	Very low	143 Å²	143	121.1 Å²	121.1	73%	0.733	67%	0.671	S	S	*	*			trans	73.6	139.7	144.3	-64.6	166.9	0	0	0	124.2
918	P	43.3	Very low	37.5	Very low	116 Å²	116	122.7 Å²	122.7	75%	0.753	69%	0.685	S	S	*	*			trans	-131.2	-178	-174.5	46	-31.4	0	0	0	118.4
919	V	36.6	Very low	37.4	Very low	151 Å²	151	120 Å²	120	92%	0.915	68%	0.683	S	S	*	*			trans	-159.7	-173.1	162	116.2	0	0	0	0	115.8
920	L	36.6	Very low	37.3	Very low	158 Å²	158	122 Å²	122	83%	0.827	69%	0.692	S	S	*	*			trans	-106.3	176.6	-142.2	-128.6	82.5	0	0	0	121.5
921	D	36.9	Very low	36.9	Very low	153 Å²	153	127 Å²	127	82%	0.818	72%	0.721	S	S	*	*			trans	91.4	138.6	148.9	-140.8	34	0	0	0	120.8
922	G	35.6	Very low	36.9	Very low	60 Å²	60	127.1 Å²	127.1	62%	0.619	74%	0.737	S	S	*	*			cis	174.2	170.9	-11.6	0	0	0	0	0	116.6
923	S	38.5	Very low	36.9	Very low	102 Å²	102	129.7 Å²	129.7	71%	0.713	76%	0.755	S	S	*	*			trans	88.8	118.4	156	-62.6	0	0	0	0	126
924	K	38.4	Very low	36.7	Very low	158 Å²	158	126.9 Å²	126.9	69%	0.687	75%	0.754	S	S	*	*				73.3	150.1	128.7	-66.7	170.8	163.5	-82	0	121.4
925	E	35.9	Very low	36.5	Very low	140 Å²	140	129.5 Å²	129.5	65%	0.654	76%	0.759	S	S	*	*			cis	-165	152.7	-6.4	-120.4	158.1	178.3	0	0	114
926	S	39.5	Very low	36.4	Very low	103 Å²	103	130.3 Å²	130.3	72%	0.72	76%	0.764	S	S	*	*			trans	48.7	162.1	153	46.6	0	0	0	0	122.2
927	E	35.4	Very low	36.4	Very low	169 Å²	169	129.8 Å²	129.8	79%	0.79	77%	0.765	S	S	*	*			cis	-171.4	177.3	-15.3	-104	-169.1	93.6	0	0	108.7
928	V	37.6	Very low	36.6	Very low	111 Å²	111	127.7 Å²	127.7	67%	0.673	76%	0.761	S	S	*	*			cis	-173.1	160	-43.8	130.4	0	0	0	0	111
929	S	35	Very low	36.3	Very low	88 Å²	88	128.4 Å²	128.4	62%	0.615	76%	0.759	S	S	*	*			trans	82.1	125.4	155.9	-79.7	0	0	0	0	126.1
930	Q	34.9	Very low	36.2	Very low	165 Å²	165	127.7 Å²	127.7	77%	0.771	75%	0.748	S	S	*	*				82.5	97	123.2	-67.1	174.1	61.2	0	0	125.1
931	T	30.4	Very low	36.3	Very low	136 Å²	136	127.6 Å²	127.6	83%	0.834	75%	0.748	S	S	*	*				27.3	129.6	116.5	56.9	0	0	0	0	123.3
932	A	35.8	Very low	37	Very low	105 Å²	105	125.3 Å²	125.3	87%	0.868	74%	0.742	S	S	*	*			trans	-157	171.9	149.4	0	0	0	0	0	112.1
933	S	35.9	Very low	37	Very low	117 Å²	117	128.8 Å²	128.8	82%	0.818	75%	0.746	S	S	*	*			trans	-125.6	165.7	-161.6	-52.6	0	0	0	0	116.3
934	S	35.3	Very low	37	Very low	107 Å²	107	131.6 Å²	131.6	75%	0.748	75%	0.746	S	S	*	*			trans	124.2	126.5	130.7	74.8	0	0	0	0	122.2
935	L	34.4	Very low	36.7	Very low	163 Å²	163	132 Å²	132	85%	0.853	75%	0.75	S	S	*	*			trans	48.9	129.3	132.9	-61.2	166.6	0	0	0	124
936	S	34.3	Very low	36.8	Very low	118 Å²	118	130.6 Å²	130.6	83%	0.825	75%	0.751	S	S	*	*				161.7	153.6	117.5	-69.5	0	0	0	0	115.9
937	I	36.2	Very low	36.5	Very low	163 Å²	163	132.9 Å²	132.9	84%	0.836	76%	0.755	S	S	*	*			trans	-158.8	-176.1	-178.7	57	171.3	0	0	0	109.5
938	P	43	Very low	36.6	Very low	99 Å²	99	129.7 Å²	129.7	64%	0.643	76%	0.758	S	S	*	*			cis	-135.5	-155.2	-2.8	28.3	-0.2	0	0	0	114.1
939	D	35.2	Very low	36.4	Very low	131 Å²	131	131 Å²	131	70%	0.701	77%	0.766	S	S	*	*				145.6	116.9	128.6	-82.8	-14.8	0	0	0	122.1
940	I	36.3	Very low	36.6	Very low	135 Å²	135	132.4 Å²	132.4	69%	0.692	77%	0.771	S	S	*	*				85.2	120.4	119.5	-66.8	174	0	0	0	126.9
941	N	37.6	Very low	36.6	Very low	156 Å²	156	133.3 Å²	133.3	83%	0.834	77%	0.772	S	S	*	*			trans	90.1	151.6	141.7	-81.9	-5.3	0	0	0	128.9
942	P	52.2	Low	37.1	Very low	106 Å²	106	135.4 Å²	135.4	69%	0.688	77%	0.773	S	S	*	*			trans	-131.1	-175.5	-172.5	46.3	-30.2	0	0	0	117.3
943	D	36	Very low	36.9	Very low	133 Å²	133	135.7 Å²	135.7	71%	0.711	77%	0.768	S	S	*	*			trans	175.8	154.4	138.9	-113.1	-11.6	0	0	0	121.3
944	K	37.8	Very low	36.7	Very low	160 Å²	160	139.4 Å²	139.4	70%	0.696	77%	0.77	S	S	*	*			trans	75.3	106.6	146.2	-70.4	177.8	-178.2	79.3	0	128.8
945	E	32.1	Very low	36.6	Very low	167 Å²	167	144.9 Å²	144.9	78%	0.78	78%	0.775	S	S	*	*				75.1	142.5	107.6	-140.4	-171.6	161.6	0	0	128.3
946	V	37.1	Very low	36.7	Very low	111 Å²	111	143.3 Å²	143.3	67%	0.673	78%	0.775	S	S	*	*			trans	124.5	104.8	141.2	-175.7	0	0	0	0	123.1
947	N	34.5	Very low	36.6	Very low	151 Å²	151	144.3 Å²	144.3	81%	0.807	77%	0.771	S	S	*	*			trans	42.6	135.3	139.5	-62.9	-32.9	0	0	0	129.4
948	A	36.6	Very low	36.4	Very low	102 Å²	102	144 Å²	144	84%	0.843	77%	0.771	S	S	*	*				175.4	166.8	124.7	0	0	0	0	0	115.6
949	T	34.9	Very low	35.7	Very low	137 Å²	137	145.8 Å²	145.8	84%	0.84	77%	0.769	S	S	*	*			trans	-148.3	161.7	-168.2	46.6	0	0	0	0	118.3
950	T	37.4	Very low	35.7	Very low	119 Å²	119	146.4 Å²	146.4	73%	0.73	78%	0.777	S	S	*	*				169.4	108.8	128.5	-75.5	0	0	0	0	119.9
951	K	36.7	Very low	35.5	Very low	183 Å²	183	150.2 Å²	150.2	80%	0.796	78%	0.783	S	S	*	*				49.4	151.2	130	-50.1	176.3	-174.8	170.1	0	127.9
952	Q	39.7	Very low	35.2	Very low	181 Å²	181	151.7 Å²	151.7	85%	0.846	78%	0.782	S	S	*	*			trans	92.3	143.2	151.2	-57.8	-137.3	48.9	0	0	120.1
953	S	31.9	Very low	34.2	Very low	110 Å²	110	150.3 Å²	150.3	77%	0.769	78%	0.775	S	S	*	*			cis	-156.4	-176.2	-13.3	-168.2	0	0	0	0	112.1
954	K	31	Very low	33.8	Very low	196 Å²	196	153.9 Å²	153.9	85%	0.852	78%	0.784	S	S	*	*			trans	-123	154.2	-160.3	-76.3	176.8	178.3	169.1	0	119.4
955	Y	34.1	Very low	33.6	Very low	221 Å²	221	151.5 Å²	151.5	87%	0.867	78%	0.783	S	S	*	*			trans	-31.7	160	150.6	-75.5	-80.3	0	0	0	118.2
956	P	35.7	Very low	33.4	Very low	130 Å²	130	152.5 Å²	152.5	84%	0.844	78%	0.784	S	S	*	*				-151.7	-175.9	87.6	40.4	-19.6	0	0	0	119
957	N	32.4	Very low	33.1	Very low	139 Å²	139	153 Å²	153	74%	0.743	79%	0.788	S	S	*	*			trans	-79	161.5	-174.7	-98.3	-76.1	0	0	0	115.7
958	N	31.9	Very low	32.8	Very low	158 Å²	158	151 Å²	151	85%	0.845	78%	0.784	S	S	*	*				-156.9	164.8	129.1	-124.7	-38.4	0	0	0	116.2
959	K	29.4	Very low	32.6	Very low	136 Å²	136	157.5 Å²	157.5	59%	0.591	79%	0.787	S	S	*	*			trans	-94.4	139.8	-175.6	-55.9	175.5	-165.5	175.9	0	112.5	V257	V257-K959 WeakPolarHBondContact O-CE 3.01Å; V257-K959 PolarHBondContact O-NZ 2.87Å
960	V	34.8	Very low	32.5	Very low	144 Å²	144	158.7 Å²	158.7	87%	0.873	78%	0.781	S	S	*	*			trans	-136.2	148.5	164.2	-179.5	0	0	0	0	110.8
961	R	31.4	Very low	32.1	Very low	214 Å²	214	160.2 Å²	160.2	81%	0.808	78%	0.779	S	S	*	*			trans	-126.6	132.9	-166.6	-169.8	-176.5	-166	-169.3	8	111.5
962	K	32.6	Very low	32	Very low	188 Å²	188	158.6 Å²	158.6	82%	0.817	78%	0.775	S	S	*	*			trans	55.2	119	167.8	-70.4	173.5	178.3	177.3	0	118.6
963	S	30.8	Very low	31.6	Very low	77 Å²	77	151.7 Å²	151.7	54%	0.538	75%	0.752	S	S	.	*			trans	-154.5	125.4	130.4	54.7	0	0	0	0	111.2	R262	R262-S963 PolarHBondContact NH2-O 3.3Å; R262-S963 PolarHBondContact NH2-OG 3.13Å
964	K	27.9	Very low	31.7	Very low	208 Å²	208	149.5 Å²	149.5	90%	0.904	74%	0.74	S	S	*	*			trans	-94.3	94.2	174.5	-82.9	-172.8	175.2	-179.4	0	109.7	K966	K964-K966 PolarHBondContact O-N 2.79Å; K964-K966 VanDerWaalsContact O-N 3.1Å
965	T	32	Very low	31.8	Very low	109 Å²	109	142.6 Å²	142.6	67%	0.669	72%	0.717	S	S	*	*			trans	-75.3	95.8	169.6	-41	0	0	0	0	109.3	V967	T965-V967 HydrophobicContact CG2-CG2 4.16Å; T965-V967 PolarHBondContact O-N 3.16Å
966	K	28.5	Very low	31.7	Very low	188 Å²	188	137.8 Å²	137.8	82%	0.817	71%	0.71	S	S	*	*			trans	-76.9	97.8	168.9	-86.8	-169	172.5	-172.9	0	109.4	K964	K964-K966 PolarHBondContact O-N 2.79Å; K964-K966 VanDerWaalsContact O-N 3.1Å
967	V	31.8	Very low	31.5	Very low	122 Å²	122	139.4 Å²	139.4	74%	0.739	71%	0.711	S	S	*	*			trans	-94.9	124.8	159.5	-178.6	0	0	0	0	107.9	T965	T965-V967 HydrophobicContact CG2-CG2 4.16Å; T965-V967 PolarHBondContact O-N 3.16Å
968	C	28.6	Very low	31.6	Very low	109 Å²	109	138.1 Å²	138.1	74%	0.736	71%	0.712	S	S	*	*			trans	-108	111.9	175.3	-67.9	0	0	0	0	109.8
969	R	32	Very low	31.9	Very low	238 Å²	238	136.5 Å²	136.5	90%	0.898	71%	0.71	S	S	*	*			trans	179.6	159.4	160.7	-95.2	148.4	-169.2	-152.2	6.6	108.6
970	K	31.4	Very low	31.9	Very low	163 Å²	163	134.6 Å²	134.6	71%	0.709	71%	0.713	S	S	*	*			cis	-172.7	105.6	-35.2	179.1	-163.8	165.7	-162.9	0	109.2
971	E	30.5	Very low	31.7	Very low	151 Å²	151	133.4 Å²	133.4	71%	0.706	71%	0.706	S	S	*	*			trans	61.8	168.4	166.8	-59.1	179.2	108.6	0	0	117.3
972	Q	32.6	Very low	31.9	Very low	149 Å²	149	128.6 Å²	128.6	70%	0.696	70%	0.7	S	S	*	*			trans	69.6	140	170	-69.3	165.4	41.7	0	0	116.2	P267 D268	P267-Q972 WeakPolarHBondContact CB-O 3.42Å; D268-Q972 HydrophobicContact CB-CB 4.1Å; D268-Q972 WeakPolarHBondContact OD1-CA 3.39Å; D268-Q972 WeakPolarHBondContact OD1-CB 2.89Å; D268-Q972 WeakPolarHBondContact OD1-CG 3.05Å
973	G	32.2	Very low	31.9	Very low	35 Å²	35	126.1 Å²	126.1	36%	0.361	70%	0.696	S	S	.	*			cis	159.2	68.9	-26.6	0	0	0	0	0	119.2	D268 K269	D268-G973 CarbonylContact C-O 3.15Å; D268-G973 VanDerWaalsContact CA-C 3.45Å; D268-G973 VanDerWaalsContact CA-O 3.25Å; D268-G973 WeakPolarHBondContact CA-O 3.31Å; D268-G973 VanDerWaalsContact CG-O 3.22Å; D268-G973 WeakPolarHBondContact OD1-CA 3.1Å; D268-G973 PolarHBondContact OD1-N 3.05Å; K269-G973 PolarHBondContact N-O 2.91Å; K269-G973 VanDerWaalsContact O-O 3.07Å
974	A	34.4	Very low	32.1	Very low	64 Å²	64	126.8 Å²	126.8	53%	0.529	70%	0.701	S	S	.	*			trans	87.8	-176.9	179.4	0	0	0	0	0	115.2	P267 D268	P267-A974 CarbonylContact C-O 3.57Å; D268-A974 CarbonylContact C-O 3.5Å; D268-A974 WeakPolarHBondContact CA-O 3.38Å; D268-A974 PolarHBondContact N-O 2.94Å
975	S	33.2	Very low	32.5	Very low	51 Å²	51	121.9 Å²	121.9	36%	0.357	69%	0.693	S	S	.	*			cis	-154.8	150.4	-0.5	72.6	0	0	0	0	114.7	K269	K269-S975 WeakPolarHBondContact CB-OG 3.14Å; K269-S975 VanDerWaalsContact CD-OG 3.22Å; K269-S975 WeakPolarHBondContact CD-OG 3.4Å; K269-S975 WeakPolarHBondContact CG-OG 3.33Å
976	V	31.6	Very low	32.5	Very low	120 Å²	120	123 Å²	123	73%	0.727	70%	0.695	S	S	*	*			trans	58.4	102.8	135	173.8	0	0	0	0	118.9
977	L	30.8	Very low	33	Very low	165 Å²	165	120.3 Å²	120.3	86%	0.864	69%	0.694	S	S	*	*				-167.8	155.2	101.1	-112.2	156.4	0	0	0	112.3
978	C	34.9	Very low	33.2	Very low	112 Å²	112	118.9 Å²	118.9	76%	0.757	69%	0.689	S	S	*	*			trans	-92.4	-168.9	175	-54.6	0	0	0	0	109.4
979	P	37.7	Very low	33.6	Very low	124 Å²	124	120 Å²	120	81%	0.805	69%	0.687	S	S	*	*			cis	-135.6	-155.9	3.6	44.5	-21.7	0	0	0	110.5
980	S	29.9	Very low	33.9	Very low	95 Å²	95	109 Å²	109	66%	0.664	65%	0.649	S	S	*	*			cis	-177.5	143.8	-1.8	102.1	0	0	0	0	109.4
981	V	31.6	Very low	34.2	Very low	120 Å²	120	105.7 Å²	105.7	73%	0.727	64%	0.635	S	S	*	*			trans	79.5	108.3	134.6	173.3	0	0	0	0	122.5
982	V	34.3	Very low	34.4	Very low	113 Å²	113	101.7 Å²	101.7	69%	0.685	62%	0.621	S	S	*	*			trans	73.9	125.6	132.5	-50.6	0	0	0	0	126.8
983	D	33	Very low	34.5	Very low	136 Å²	136	99.7 Å²	99.7	73%	0.727	62%	0.616	S	S	*	*				51.1	157.6	120.9	-65.9	-74.4	0	0	0	126
984	S	35.4	Very low	34.7	Very low	91 Å²	91	103.1 Å²	103.1	64%	0.636	63%	0.625	S	S	*	*			cis	-171.1	178.8	-25.7	-108.2	0	0	0	0	112.2
985	S	35.6	Very low	35.1	Very low	105 Å²	105	105.3 Å²	105.3	73%	0.734	63%	0.628	S	S	*	*			trans	70.4	156.8	154.9	59.4	0	0	0	0	119.7
986	N	33.2	Very low	35.2	Very low	133 Å²	133	109.6 Å²	109.6	71%	0.711	65%	0.647	S	S	*	*			cis	-149.2	-161.2	-0.3	-123.6	-5.1	0	0	0	115.9
987	T	38.2	Very low	35.6	Very low	131 Å²	131	111.1 Å²	111.1	80%	0.804	65%	0.648	S	S	*	*			trans	-137.9	-161.5	-151.2	59.9	0	0	0	0	117.3
988	S	35.1	Very low	36	Very low	92 Å²	92	110.2 Å²	110.2	64%	0.643	64%	0.644	S	S	*	*			trans	-157.4	175.6	174.6	67	0	0	0	0	114.4
989	L	38.5	Very low	36.2	Very low	131 Å²	131	108.7 Å²	108.7	69%	0.686	65%	0.647	S	S	*	*			trans	-146.1	-154.5	-172.6	-147.4	71.2	0	0	0	115	H1335	L989-H1335 PolarHBondContact O-ND1 3.36Å
990	G	37.1	Very low	35.9	Very low	9 Å²	9	112 Å²	112	9%	0.093	65%	0.652	C	S	.	*			trans	52	146.3	168	0	0	0	0	0	119.9	V1336 K1337	G990-V1336 CarbonylContact O-C 3.6Å; G990-V1336 WeakPolarHBondContact O-CA 3.47Å; G990-V1336 WeakPolarHBondContact O-CG2 3.33Å; G990-K1337 VanDerWaalsContact C-CD 3.46Å; G990-K1337 VanDerWaalsContact C-CG 3.41Å; G990-K1337 VanDerWaalsContact CA-CE 3.46Å; G990-K1337 VanDerWaalsContact O-CG 3.25Å; G990-K1337 WeakPolarHBondContact O-CG 3.31Å; G990-K1337 PolarHBondContact O-N 3.17Å
991	Q	37.6	Very low	36.1	Very low	92 Å²	92	112.8 Å²	112.8	43%	0.43	65%	0.652	S	S	.	*			cis	-149.8	-173.8	-13.5	-141.1	67.3	-47	0	0	105.9	V1336	Q991-V1336 VanDerWaalsContact N-CG2 3.33Å
992	T	35.4	Very low	36	Very low	67 Å²	67	113.5 Å²	113.5	41%	0.411	66%	0.657	S	S	.	*			cis	-141.6	-139.8	5.9	-25	0	0	0	0	108.8	N718 A719	N718-T992 WeakPolarHBondContact O-CG2 3.43Å; A719-T992 HydrophobicContact CB-CG2 3.92Å; A719-T992 CarbonylContact O-C 3.34Å
993	N	35.7	Very low	35.8	Very low	108 Å²	108	112.5 Å²	112.5	58%	0.578	66%	0.661	S	S	*	*			cis	-156.9	170.1	9.2	-161.2	19.6	0	0	0	113.8	A719 N720	A719-N993 PolarHBondContact O-N 2.93Å; A719-N993 VanDerWaalsContact O-N 3.11Å; N720-N993 CarbonylContact C-O 3.49Å; N720-N993 CarbonylContact O-C 3.46Å
994	L	35.5	Very low	35.6	Very low	107 Å²	107	111.2 Å²	111.2	56%	0.56	66%	0.662	S	S	*	*			trans	-71.7	-176.3	-179.8	-67.3	172.9	0	0	0	116.9	A719	A719-L994 HydrophobicContact CB-CB 4.31Å; A719-L994 HydrophobicContact CB-CD2 3.48Å; A719-L994 VanDerWaalsContact CB-CD2 3.48Å; A719-L994 HydrophobicContact CB-CG 3.51Å
995	N	42	Very low	35.5	Very low	110 Å²	110	113.6 Å²	113.6	59%	0.588	67%	0.667	S	S	*	*			cis	-172.1	166.4	-48.2	-98.1	8.2	0	0	0	110.1	N720	N720-N995 PolarHBondContact O-OD1 2.94Å
996	N	36.7	Very low	35.3	Very low	141 Å²	141	116.4 Å²	116.4	75%	0.754	67%	0.668	S	S	*	*			trans	-178.7	176.7	161.1	-115.8	40.2	0	0	0	109.2
997	M	40.1	Very low	35.4	Very low	151 Å²	151	113.7 Å²	113.7	74%	0.744	66%	0.659	S	S	*	*			cis	-163.7	-156.8	-42.8	-95.6	-64.8	-169.9	0	0	105.7
998	D	39	Very low	35.5	Very low	146 Å²	146	115.4 Å²	115.4	78%	0.781	66%	0.656	S	S	*	*			cis	-159.8	155.1	10.8	-53.8	-98.6	0	0	0	109.2
999	G	37.7	Very low	35.4	Very low	80 Å²	80	118.5 Å²	118.5	83%	0.825	66%	0.664	S	S	*	*			trans	163.5	112.3	167.3	0	0	0	0	0	121.2
1000	E	32.7	Very low	35.4	Very low	195 Å²	195	120.1 Å²	120.1	91%	0.911	67%	0.668	S	S	*	*			trans	83.1	151.5	170.7	-136.7	-177.3	142.5	0	0	120.3
1001	V	34.5	Very low	35.6	Very low	111 Å²	111	125.1 Å²	125.1	67%	0.673	70%	0.696	S	S	*	*	S	Bend	trans	68.5	78.9	173.2	-162.9	0	0	0	0	118.7
1002	T	29.2	Very low	35.7	Very low	134 Å²	134	127.3 Å²	127.3	82%	0.822	71%	0.71	S	S	*	*			trans	56.5	138.1	143.7	60	0	0	0	0	123.1
1003	A	29.9	Very low	35.7	Very low	93 Å²	93	129.8 Å²	129.8	77%	0.769	73%	0.73	S	S	*	*			trans	86.8	92.6	156	0	0	0	0	0	120.8
1004	S	28.8	Very low	36	Very low	108 Å²	108	132.8 Å²	132.8	76%	0.755	74%	0.738	S	S	*	*			trans	73.7	112.5	132.6	-65.4	0	0	0	0	124.3
1005	I	32.2	Very low	36.1	Very low	142 Å²	142	138.3 Å²	138.3	73%	0.728	75%	0.751	S	S	*	*				85.6	107.8	128.5	-59.9	168.1	0	0	0	120.5
1006	E	32.6	Very low	35.8	Very low	163 Å²	163	143.9 Å²	143.9	76%	0.762	76%	0.764	S	S	*	*			trans	39	160.5	136.4	-58.4	-167.8	92.6	0	0	125	K1008	E1006-K1008 IonicContact OE1-NZ 3.65Å
1007	S	34.5	Very low	35.8	Very low	76 Å²	76	141.8 Å²	141.8	53%	0.531	76%	0.76	S	S	.	*			cis	-175.1	158.9	-37.3	66.9	0	0	0	0	112.9
1008	K	40.7	Very low	35.8	Very low	168 Å²	168	143 Å²	143	73%	0.73	76%	0.761	S	S	*	*			trans	84.8	103.3	153.6	-60.3	158.2	-171.8	122.7	0	124.9	E1006	E1006-K1008 IonicContact OE1-NZ 3.65Å
1009	L	32.9	Very low	35.8	Very low	157 Å²	157	143.6 Å²	143.6	82%	0.822	76%	0.76	S	S	*	*				39	143.1	119.5	-56.4	172.2	0	0	0	125.6
1010	H	38.1	Very low	35.9	Very low	165 Å²	165	147.6 Å²	147.6	76%	0.764	76%	0.757	S	S	*	*				143.2	123.8	100.6	-138.7	-140.2	0	0	0	121.9
1011	V	40.7	Very low	36.2	Very low	113 Å²	113	144.1 Å²	144.1	69%	0.685	75%	0.749	S	S	*	*				99.9	131.7	127.7	111.8	0	0	0	0	128.9
1012	I	40.6	Very low	36.3	Very low	139 Å²	139	147.1 Å²	147.1	71%	0.713	75%	0.753	S	S	*	*			trans	77.5	145.1	143.7	-142	167.3	0	0	0	127.4
1013	S	36.2	Very low	36.6	Very low	119 Å²	119	147.7 Å²	147.7	83%	0.832	75%	0.751	S	S	*	*			trans	-162.4	169	165.5	-174.6	0	0	0	0	115.5
1014	K	40.9	Very low	36.9	Very low	171 Å²	171	152.2 Å²	152.2	74%	0.743	75%	0.753	S	S	*	*			trans	-162	123.1	-173.7	-92.1	161.9	-168.2	159.3	0	120.9
1015	R	37.7	Very low	37.1	Very low	223 Å²	223	153.4 Å²	153.4	84%	0.842	76%	0.755	S	S	*	*			trans	63.4	116.4	131.4	-74	-176.3	170.8	173.1	0.1	128
1016	R	36.3	Very low	36.9	Very low	227 Å²	227	155.5 Å²	155.5	86%	0.857	76%	0.756	S	S	*	*				84.5	120.3	110.1	-165	-160.2	-154.8	-172.6	8.5	124.2
1017	S	37	Very low	37	Very low	97 Å²	97	153 Å²	153	68%	0.678	75%	0.753	S	S	*	*				145.3	128.2	122.3	-177.4	0	0	0	0	121.1
1018	K	40.3	Very low	36.6	Very low	175 Å²	175	156 Å²	156	76%	0.761	76%	0.764	S	S	*	*			trans	81.6	110.9	146.4	-81.6	174.5	-180	-176.2	0	125.6
1019	Q	38.7	Very low	36.1	Very low	160 Å²	160	154.6 Å²	154.6	75%	0.748	77%	0.769	S	S	*	*				75.3	127.8	120	-74.9	-177	-50.7	0	0	125.9
1020	Q	39.6	Very low	36	Very low	163 Å²	163	151.9 Å²	151.9	76%	0.762	76%	0.763	S	S	*	*			trans	102	102.6	143.3	-78.2	-178.8	4.4	0	0	123.3
1021	T	37.7	Very low	35.7	Very low	122 Å²	122	151.7 Å²	151.7	75%	0.748	76%	0.763	S	S	*	*			trans	65	146.7	137.1	56.4	0	0	0	0	120.9
1022	K	37.6	Very low	35.4	Very low	174 Å²	174	151.9 Å²	151.9	76%	0.757	76%	0.76	S	S	*	*			cis	-164.7	147.8	3.9	-126.2	175.3	-179.7	-177.9	0	111.7
1023	N	34.5	Very low	35.3	Very low	146 Å²	146	151.6 Å²	151.6	78%	0.781	75%	0.754	S	S	*	*			trans	61.9	154.2	158.4	-64.7	1.5	0	0	0	119.6
1024	K	36.5	Very low	35.1	Very low	189 Å²	189	152.9 Å²	152.9	82%	0.822	74%	0.744	S	S	*	*			cis	-169.4	165.4	-25.6	-174.6	172.2	-179.7	-176.6	0	108.7
1025	V	33.3	Very low	34.6	Very low	132 Å²	132	151 Å²	151	80%	0.8	74%	0.741	S	S	*	*			trans	104.3	152.4	166.5	-171.6	0	0	0	0	115.8
1026	Y	29	Very low	34.2	Very low	187 Å²	187	147 Å²	147	73%	0.733	74%	0.736	S	S	*	*			trans	-134.8	171.3	-160.3	-99	-83.8	0	0	0	109.6
1027	P	33.3	Very low	33.9	Very low	110 Å²	110	140.9 Å²	140.9	71%	0.714	72%	0.723	S	S	*	*				-155.4	167.7	50.6	43.3	-20.8	0	0	0	121.8
1028	N	27.7	Very low	33.7	Very low	139 Å²	139	139.6 Å²	139.6	74%	0.743	73%	0.725	S	S	*	*			trans	53.5	158.2	141.8	-65.5	6.3	0	0	0	126.7
1029	T	30.4	Very low	33.2	Very low	139 Å²	139	138.6 Å²	138.6	85%	0.853	72%	0.723	S	S	*	*			trans	77.3	152.1	166.8	70	0	0	0	0	118.9
1030	S	30	Very low	32.9	Very low	99 Å²	99	141.7 Å²	141.7	69%	0.692	73%	0.729	S	S	*	*			cis	-170.2	142.6	-37.1	52.5	0	0	0	0	111.7
1031	E	32	Very low	32.6	Very low	162 Å²	162	141.3 Å²	141.3	76%	0.757	73%	0.733	S	S	*	*			trans	59.3	175.1	164.9	-55	-141.2	100.7	0	0	117.1	K1033	E1031-K1033 IonicContact OE1-NZ 2.69Å; E1031-K1033 PolarHBondContact OE1-NZ 2.77Å; E1031-K1033 IonicContact OE2-NZ 3.51Å
1032	D	33.8	Very low	32.3	Very low	117 Å²	117	140.7 Å²	140.7	63%	0.626	73%	0.734	S	S	*	*			cis	-141.8	-168	5.1	-162.4	14.2	0	0	0	113.8
1033	K	39	Very low	32.2	Very low	133 Å²	133	137.1 Å²	137.1	58%	0.578	72%	0.722	S	S	*	*			trans	-112.4	-164	-156.1	-54.8	160.6	-155.7	79.5	0	114	E1031	E1031-K1033 IonicContact OE1-NZ 2.69Å; E1031-K1033 PolarHBondContact OE1-NZ 2.77Å; E1031-K1033 IonicContact OE2-NZ 3.51Å
1034	K	31.2	Very low	32.3	Very low	145 Å²	145	132.7 Å²	132.7	63%	0.63	70%	0.7	S	S	*	*			trans	80	154.7	164.3	-44.1	-164.9	-173.9	-156.4	0	115.7
1035	I	30.1	Very low	32.2	Very low	131 Å²	131	128.9 Å²	128.9	67%	0.672	69%	0.689	S	S	*	*			cis	-137.4	-175.5	-7.4	-137.2	173.7	0	0	0	107	V1037	I1035-V1037 HydrophobicContact CD1-CG2 4.43Å; I1035-V1037 HydrophobicContact CG1-CG2 4.19Å
1036	L	29.7	Very low	32.4	Very low	141 Å²	141	125.8 Å²	125.8	74%	0.738	67%	0.67	S	S	*	*			cis	-152.5	120.3	30.3	-155.4	148.1	0	0	0	105.9
1037	V	30.9	Very low	32.9	Very low	97 Å²	97	126.4 Å²	126.4	59%	0.588	68%	0.677	S	S	*	*				69.6	138.2	81	175.8	0	0	0	0	115	I1035 E1039	I1035-V1037 HydrophobicContact CD1-CG2 4.43Å; I1035-V1037 HydrophobicContact CG1-CG2 4.19Å; V1037-E1039 HydrophobicContact CG1-CG 4.44Å; V1037-E1039 WeakPolarHBondContact CG1-OE2 3.19Å
1038	G	32.2	Very low	33.5	Very low	70 Å²	70	124 Å²	124	72%	0.722	66%	0.662	S	S	*	*			trans	173.2	53.8	-174.9	0	0	0	0	0	109.5
1039	E	30.6	Very low	34.8	Very low	154 Å²	154	122.4 Å²	122.4	72%	0.72	65%	0.654	S	S	*	*			trans	-63.8	139.3	-171.6	-73.5	156.2	106.6	0	0	112.8	V1037	V1037-E1039 HydrophobicContact CG1-CG 4.44Å; V1037-E1039 WeakPolarHBondContact CG1-OE2 3.19Å
1040	Y	31.5	Very low	36.6	Very low	225 Å²	225	117.3 Å²	117.3	88%	0.882	62%	0.623	S	S	*	*			trans	-140.3	135.4	155	-89.1	-82.7	0	0	0	107.5
1041	D	34.5	Very low	38.6	Very low	155 Å²	155	121.2 Å²	121.2	83%	0.829	62%	0.622	S	S	*	*			trans	-62.9	151.6	-157.8	-69	-78.4	0	0	0	116.6	L1043	D1041-L1043 PolarHBondContact O-N 3.07Å
1042	S	31.6	Very low	40.9	Very low	110 Å²	110	116.2 Å²	116.2	77%	0.769	60%	0.6	S	S	*	*			trans	-68.6	93.4	174.1	-67.9	0	0	0	0	110.9	T1044	S1042-T1044 PolarHBondContact O-N 3.21Å
1043	L	34.2	Very low	43.1	Very low	99 Å²	99	117.3 Å²	117.3	52%	0.518	60%	0.6	S	S	.	*			trans	-65.8	72.9	160.9	-83.9	167.7	0	0	0	110.1	L25 D1041 V1050	L25-L1043 HydrophobicContact CD1-CB 4.13Å; L25-L1043 HydrophobicContact CD1-CD1 4.02Å; D1041-L1043 PolarHBondContact O-N 3.07Å; L1043-V1050 HydrophobicContact CD1-CG1 4.13Å; L1043-V1050 HydrophobicContact CD1-CG2 4.1Å; L1043-V1050 HydrophobicContact CD2-CG2 3.87Å
1044	T	36.8	Very low	45	Very low	52 Å²	52	113.1 Å²	113.1	32%	0.319	58%	0.583	S	S	.	*			trans	-60.4	153.4	172.2	55.8	0	0	0	0	110.8	S1042 T1046	S1042-T1044 PolarHBondContact O-N 3.21Å; T1044-T1046 VanDerWaalsContact C-N 3.25Å; T1044-T1046 PolarHBondContact O-N 2.84Å
1045	N	34.6	Very low	47.1	Very low	110 Å²	110	111.8 Å²	111.8	59%	0.588	58%	0.582	S	S	*	*	S	Bend	trans	-72.8	69	-164.5	-166.2	-7.4	0	0	0	114.3
1046	T	36.7	Very low	49.1	Very low	66 Å²	66	108.5 Å²	108.5	41%	0.405	57%	0.565	S	S	.	*	S	Bend	trans	-99.4	151.1	157.3	63.4	0	0	0	0	109	T291 T1044 S1048	T291-T1046 HydrophobicContact CG2-CG2 4.23Å; T291-T1046 WeakPolarHBondContact OG1-CG2 3.25Å; T1044-T1046 VanDerWaalsContact C-N 3.25Å; T1044-T1046 PolarHBondContact O-N 2.84Å; T1046-S1048 PolarHBondContact O-N 3.18Å
1047	K	40.4	Very low	50.6	Low	201 Å²	201	106.8 Å²	106.8	87%	0.874	57%	0.565	S	S	*	*			trans	-73.4	36.3	178.4	-66.9	174.6	-178.8	166	0	113.5
1048	S	45.5	Very low	51.4	Low	58 Å²	58	110 Å²	110	41%	0.406	57%	0.571	S	S	.	*			trans	-57.3	137.9	171.1	63.5	0	0	0	0	109.8	T1046 V1050	T1046-S1048 PolarHBondContact O-N 3.18Å; S1048-V1050 PolarHBondContact O-N 2.94Å; S1048-V1050 WeakPolarHBondContact OG-CG2 3.07Å
1049	N	54.8	Low	52	Low	106 Å²	106	112.3 Å²	112.3	57%	0.567	57%	0.573	S	S	*	*			trans	-81.5	63.1	-178.3	-78.2	-70.7	0	0	0	110.7	K21 R1051	K21-N1049 PolarHBondContact NZ-OD1 2.73Å; N1049-R1051 WeakPolarHBondContact O-CG 3Å; N1049-R1051 PolarHBondContact O-N 2.88Å
1050	V	67.7	Low	52.6	Low	33 Å²	33	114.8 Å²	114.8	20%	0.2	58%	0.582	C	S	.	*			trans	-57.6	111.5	176.9	-174.2	0	0	0	0	109.2	V22 L1043 S1048 L1052	V22-V1050 HydrophobicContact CB-CB 4.19Å; V22-V1050 HydrophobicContact CB-CG1 4.47Å; V22-V1050 HydrophobicContact CG2-CB 3.94Å; V22-V1050 HydrophobicContact CG2-CG1 3.71Å; V22-V1050 PolarHBondContact N-O 3.09Å; L1043-V1050 HydrophobicContact CD1-CG1 4.13Å; L1043-V1050 HydrophobicContact CD1-CG2 4.1Å; L1043-V1050 HydrophobicContact CD2-CG2 3.87Å; S1048-V1050 PolarHBondContact O-N 2.94Å; S1048-V1050 WeakPolarHBondContact OG-CG2 3.07Å; V1050-L1052 HydrophobicContact CG1-CG 4.5Å
1051	R	72.6	Confident	52.6	Low	181 Å²	181	108.1 Å²	108.1	68%	0.683	57%	0.568	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105.5	93.2	-178.7	-81.2	164.7	163.8	-143.7	-0.4	108.7	L19 V20 N1049	L19-R1051 HydrophobicContact CD2-CB 4.2Å; L19-R1051 HydrophobicContact CD2-CG 4.36Å; L19-R1051 HydrophobicContact CG-CB 4.33Å; V20-R1051 CarbonylContact O-C 3.31Å; V20-R1051 VanDerWaalsContact O-CA 3.3Å; V20-R1051 WeakPolarHBondContact O-CA 3.43Å; N1049-R1051 WeakPolarHBondContact O-CG 3Å; N1049-R1051 PolarHBondContact O-N 2.88Å
1052	L	80	Confident	52.8	Low	56 Å²	56	107 Å²	107	29%	0.293	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.5	136.2	176	-72.5	178.4	0	0	0	110.6	L19 V20 V22 I30 V32 V1050	L19-L1052 WeakPolarHBondContact CA-O 3.37Å; V20-L1052 HydrophobicContact CG2-CB 3.86Å; V20-L1052 PolarHBondContact N-O 2.98Å; V20-L1052 PolarHBondContact O-N 3.23Å; V22-L1052 HydrophobicContact CG2-CD1 3.6Å; V22-L1052 HydrophobicContact CG2-CG 3.68Å; I30-L1052 HydrophobicContact CD1-CD1 4.46Å; I30-L1052 HydrophobicContact CG2-CD1 3.8Å; V32-L1052 HydrophobicContact CG1-CD1 4.14Å; V1050-L1052 HydrophobicContact CG1-CG 4.5Å
1053	K	80.4	Confident	52.8	Low	140 Å²	140	104.1 Å²	104.1	61%	0.609	54%	0.536	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	84.1	-178.7	-173	176.3	-177	179.1	0	109.8	S17 I18 I1055	S17-K1053 WeakPolarHBondContact OG-CE 3.32Å; I18-K1053 CarbonylContact O-C 3.59Å; I18-K1053 WeakPolarHBondContact O-CA 3.1Å; K1053-I1055 PolarHBondContact O-N 3.23Å
1054	I	78.4	Confident	52.7	Low	45 Å²	45	109.5 Å²	109.5	23%	0.231	56%	0.555	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-71.5	119.6	-179.3	-58.8	-179.6	0	0	0	109.7	S17 I18 V20 L45 L1056	S17-I1054 CarbonylContact C-O 3.6Å; S17-I1054 VanDerWaalsContact CA-O 3.23Å; S17-I1054 WeakPolarHBondContact CA-O 3.01Å; I18-I1054 PolarHBondContact N-O 2.96Å; I18-I1054 PolarHBondContact O-N 3.1Å; V20-I1054 HydrophobicContact CB-CD1 4.43Å; V20-I1054 HydrophobicContact CG1-CD1 3.79Å; V20-I1054 HydrophobicContact CG1-CG1 4.41Å; V20-I1054 HydrophobicContact CG2-CD1 3.74Å; V20-I1054 HydrophobicContact CG2-CG1 3.98Å; L45-I1054 HydrophobicContact CD1-CD1 3.98Å; L45-I1054 HydrophobicContact CD1-CG1 4.24Å; L45-I1054 HydrophobicContact CD2-CD1 4.2Å; I1054-L1056 HydrophobicContact CG2-CD2 4.31Å
1055	I	76.2	Confident	52.5	Low	118 Å²	118	114.7 Å²	114.7	61%	0.605	58%	0.58	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.4	121.7	176.7	-57.5	175.6	0	0	0	110.2	K1053 S1057	K1053-I1055 PolarHBondContact O-N 3.23Å; I1055-S1057 PolarHBondContact O-N 2.83Å; I1055-S1057 VanDerWaalsContact O-N 3.13Å
1056	L	72.9	Confident	52.4	Low	62 Å²	62	118.3 Å²	118.3	33%	0.325	59%	0.59	S	S	.	*			trans	-81.6	93	-176	-61.7	179.8	0	0	0	112.7	I12 G15 G16 I18 I1054	I12-L1056 HydrophobicContact CG2-CD1 3.33Å; G15-L1056 WeakPolarHBondContact CA-O 3.34Å; G15-L1056 PolarHBondContact N-O 3.45Å; G16-L1056 PolarHBondContact O-N 2.98Å; I18-L1056 HydrophobicContact CD1-CD1 4.18Å; I1054-L1056 HydrophobicContact CG2-CD2 4.31Å
1057	S	59.6	Low	51.9	Low	105 Å²	105	121.9 Å²	121.9	73%	0.734	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-80.3	167.2	-176.8	76.4	0	0	0	0	114.6	I1055	I1055-S1057 PolarHBondContact O-N 2.83Å; I1055-S1057 VanDerWaalsContact O-N 3.13Å
1058	K	48.5	Very low	51.4	Low	164 Å²	164	116.5 Å²	116.5	71%	0.713	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-86.4	123.9	-176.7	-66.1	172	-176.5	168.1	0	111.3	K1060	K1058-K1060 PolarHBondContact O-N 2.87Å
1059	P	44.3	Very low	50.7	Low	118 Å²	118	123.2 Å²	123.2	77%	0.766	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-64.6	131.2	169.9	26	-33.2	0	0	0	111	S1061	P1059-S1061 PolarHBondContact O-N 3.42Å
1060	K	43.1	Very low	49.7	Very low	206 Å²	206	124.7 Å²	124.7	90%	0.896	64%	0.644	S	S	*	*			trans	-81.7	100	-175.4	-65.8	171.6	-177.8	167.9	0	110.9	K1058	K1058-K1060 PolarHBondContact O-N 2.87Å
1061	S	32.8	Very low	48.1	Very low	86 Å²	86	129.8 Å²	129.8	60%	0.601	67%	0.669	S	S	*	*			trans	-93.7	120.5	179.6	53.1	0	0	0	0	113.4	L733 P1059	L733-S1061 PolarHBondContact N-O 3.43Å; P1059-S1061 PolarHBondContact O-N 3.42Å
1062	K	37.6	Very low	46.3	Very low	131 Å²	131	125 Å²	125	57%	0.57	66%	0.664	S	S	*	*			trans	-138.5	145.9	-178.1	-60.8	-172.9	151.2	-159.1	0	110.6	N731	N731-K1062 PolarHBondContact OD1-NZ 3.14Å
1063	S	32.5	Very low	44.2	Very low	50 Å²	50	129.9 Å²	129.9	35%	0.35	69%	0.69	S	S	.	*			trans	-90.5	168.6	-150.5	54.7	0	0	0	0	117.1	G732 L733	G732-S1063 PolarHBondContact N-OG 2.98Å; G732-S1063 WeakPolarHBondContact O-CB 3.14Å; G732-S1063 PolarHBondContact O-OG 2.92Å; L733-S1063 VanDerWaalsContact O-CB 3.3Å; L733-S1063 WeakPolarHBondContact O-CB 3.25Å
1064	K	32.1	Very low	42.2	Very low	212 Å²	212	130.4 Å²	130.4	92%	0.922	70%	0.699	S	S	*	*			trans	-87.9	121	166.6	-65.8	174.7	-179.5	171.8	0	110.3
1065	L	32.8	Very low	40.1	Very low	161 Å²	161	134 Å²	134	84%	0.843	72%	0.724	S	S	*	*			trans	-121.9	141.3	163.2	-93.2	148.6	0	0	0	109.4
1066	K	31.1	Very low	38.2	Very low	185 Å²	185	136.2 Å²	136.2	80%	0.804	73%	0.732	S	S	*	*			trans	-100.9	136.6	176.6	-64.6	178.2	-179	177	0	109.7
1067	C	27.4	Very low	36.4	Very low	142 Å²	142	140.1 Å²	140.1	96%	0.959	75%	0.753	S	S	*	*			trans	-163.1	173.6	146.1	-113.6	0	0	0	0	110.2
1068	A	29.8	Very low	35.3	Very low	87 Å²	87	138.6 Å²	138.6	72%	0.719	74%	0.742	S	S	*	*			trans	-147.1	156.6	-161.5	0	0	0	0	0	116.3
1069	K	31.1	Very low	34.7	Very low	199 Å²	199	139.1 Å²	139.1	87%	0.865	75%	0.745	S	S	*	*			trans	69.8	156	176.6	-57.9	176.9	175.5	172.5	0	113.8
1070	V	33.3	Very low	34.1	Very low	138 Å²	138	141.3 Å²	141.3	84%	0.836	74%	0.744	S	S	*	*			cis	-131.1	175.3	19.5	179.2	0	0	0	0	112.2
1071	L	34.1	Very low	33.6	Very low	140 Å²	140	137.2 Å²	137.2	73%	0.733	73%	0.732	S	S	*	*			trans	-92.7	164.2	-158.4	-62.1	65.1	0	0	0	118.5
1072	S	34.2	Very low	33.6	Very low	81 Å²	81	136.6 Å²	136.6	57%	0.566	72%	0.72	S	S	*	*			trans	87.4	147.9	131.7	69.9	0	0	0	0	122.3
1073	N	36.6	Very low	33.4	Very low	157 Å²	157	132.8 Å²	132.8	84%	0.84	71%	0.708	S	S	*	*			cis	-171.6	154.3	-13.8	-101.3	-7.3	0	0	0	114
1074	N	37.6	Very low	33.4	Very low	151 Å²	151	133.4 Å²	133.4	81%	0.807	71%	0.707	S	S	*	*			trans	110.1	142.2	134.7	-135	23.6	0	0	0	123.7
1075	T	34	Very low	33.7	Very low	121 Å²	121	125.1 Å²	125.1	74%	0.742	67%	0.672	S	S	*	*			trans	-124.7	-155.3	-174.9	51.8	0	0	0	0	112
1076	Q	36.1	Very low	33.8	Very low	165 Å²	165	121.6 Å²	121.6	77%	0.771	66%	0.661	S	S	*	*			cis	-170	166.4	21	-161.8	-179.5	10.6	0	0	110.4
1077	N	36.7	Very low	34	Very low	144 Å²	144	116.6 Å²	116.6	77%	0.77	65%	0.649	S	S	*	*			trans	148.4	152.1	146.1	-78.7	-23.7	0	0	0	115.4
1078	S	35.5	Very low	34.4	Very low	72 Å²	72	117 Å²	117	50%	0.503	64%	0.642	S	S	.	*			cis	173.4	151	-22.2	55.8	0	0	0	0	115.4
1079	F	35.2	Very low	34.9	Very low	176 Å²	176	117.5 Å²	117.5	77%	0.772	64%	0.637	S	S	*	*			trans	81.1	159.4	154.6	-53.3	-49.4	0	0	0	122.1
1080	E	32.4	Very low	35.3	Very low	163 Å²	163	114.6 Å²	114.6	76%	0.762	63%	0.631	S	S	*	*			cis	-177.6	117.1	-30.9	-168.2	155.8	-80.8	0	0	115.1
1081	N	31.7	Very low	35.7	Very low	120 Å²	120	114 Å²	114	64%	0.642	62%	0.622	S	S	*	*			trans	54.6	138.1	146.8	-80.9	25.6	0	0	0	130.1
1082	E	32.9	Very low	36.3	Very low	73 Å²	73	113.2 Å²	113.2	34%	0.341	62%	0.619	S	S	.	*				75	125.5	126.8	-74.7	-175.3	-176.4	0	0	127	Q880 E887	Q880-E1082 WeakPolarHBondContact CB-OE1 3.26Å; Q880-E1082 WeakPolarHBondContact CG-OE1 3.06Å; E887-E1082 VanDerWaalsContact OE2-C 3.28Å
1083	V	34.3	Very low	36.8	Very low	52 Å²	52	114.6 Å²	114.6	32%	0.315	62%	0.624	S	S	.	*				137	119.5	82	145.2	0	0	0	0	124.3	E883 E887	E883-V1083 VanDerWaalsContact C-CG2 3.45Å; E883-V1083 HydrophobicContact CB-CB 4.12Å; E883-V1083 HydrophobicContact CB-CG1 3.73Å; E883-V1083 HydrophobicContact CB-CG2 3.44Å; E883-V1083 VanDerWaalsContact CB-CG2 3.44Å; E883-V1083 HydrophobicContact CG-CG1 4.49Å; E883-V1083 CarbonylContact O-C 3.57Å; E883-V1083 WeakPolarHBondContact O-CA 3.32Å; E887-V1083 VanDerWaalsContact CB-C 3.47Å; E887-V1083 PolarHBondContact OE2-N 2.63Å
1084	N	32.9	Very low	36.8	Very low	62 Å²	62	110.7 Å²	110.7	33%	0.332	61%	0.607	S	S	.	*			trans	80.6	99.4	139.2	-152.4	111.5	0	0	0	132.7	E883 Q886 E887	E883-N1084 WeakPolarHBondContact CA-OD1 3.03Å; E883-N1084 HydrophobicContact CB-CB 3.98Å; E883-N1084 HydrophobicContact CG-CB 4.26Å; E883-N1084 WeakPolarHBondContact CG-OD1 3.43Å; E883-N1084 WeakPolarHBondContact O-CA 3.22Å; E883-N1084 WeakPolarHBondContact O-CB 2.77Å; E883-N1084 PolarHBondContact O-N 2.75Å; Q886-N1084 HydrophobicContact CB-CB 4.01Å; Q886-N1084 VanDerWaalsContact OE1-CG 3.28Å; Q886-N1084 PolarHBondContact OE1-ND2 3.11Å; Q886-N1084 PolarHBondContact OE1-OD1 2.88Å; E887-N1084 VanDerWaalsContact CB-N 3.3Å; E887-N1084 VanDerWaalsContact N-N 3.13Å
1085	I	38.2	Very low	36.7	Very low	38 Å²	38	108 Å²	108	20%	0.195	59%	0.593	C	S	.	*			trans	-73.9	177.8	157.8	69.2	159.3	0	0	0	119.6	Q886 H889 S890	Q886-I1085 VanDerWaalsContact C-N 3.25Å; Q886-I1085 HydrophobicContact CB-CG1 3.9Å; Q886-I1085 HydrophobicContact CG-CG1 4.24Å; Q886-I1085 PolarHBondContact NE2-O 2.82Å; Q886-I1085 WeakPolarHBondContact O-CB 3.38Å; Q886-I1085 VanDerWaalsContact O-CG1 3.23Å; Q886-I1085 WeakPolarHBondContact O-CG1 3.25Å; Q886-I1085 VanDerWaalsContact O-CG2 3.25Å; Q886-I1085 WeakPolarHBondContact O-CG2 3.37Å; Q886-I1085 PolarHBondContact O-N 2.98Å; Q886-I1085 PolarHBondContact OE1-O 3.33Å; H889-I1085 HydrophobicContact CB-CD1 3.72Å; H889-I1085 HydrophobicContact CB-CG1 4.2Å; S890-I1085 WeakPolarHBondContact OG-CG2 3.48Å
1086	S	34.5	Very low	36.7	Very low	87 Å²	87	105.9 Å²	105.9	61%	0.608	58%	0.58	S	S	*	*				-165.5	152.4	117.4	-45.3	0	0	0	0	110.6	Q886	Q886-S1086 PolarHBondContact NE2-OG 3.49Å
1087	S	34.6	Very low	36.8	Very low	80 Å²	80	102.9 Å²	102.9	56%	0.559	57%	0.569	S	S	*	*			cis	172	152.4	-11.9	54.6	0	0	0	0	113.3
1088	L	36.9	Very low	37	Very low	152 Å²	152	99.6 Å²	99.6	80%	0.796	55%	0.552	S	S	*	*			trans	74.7	162.1	153.4	-64.7	158.7	0	0	0	119.8
1089	P	40.6	Very low	37.2	Very low	96 Å²	96	101.3 Å²	101.3	62%	0.623	55%	0.55	S	S	*	*			cis	-150.1	165.4	-40.9	42.8	-25.2	0	0	0	118.9
1090	N	39.5	Very low	37.3	Very low	139 Å²	139	100.4 Å²	100.4	74%	0.743	55%	0.551	S	S	*	*			trans	62	163.9	136.4	-71.3	39.1	0	0	0	122.1
1091	L	40.4	Very low	37.3	Very low	124 Å²	124	97.6 Å²	97.6	65%	0.649	54%	0.538	S	S	*	.			cis	-160.2	179.8	8.6	-131.1	163.2	0	0	0	113.6
1092	D	48.2	Very low	37.6	Very low	124 Å²	124	98.7 Å²	98.7	66%	0.663	54%	0.54	S	S	*	.			trans	95.5	138.2	158.4	-56.3	-25.5	0	0	0	119.2
1093	V	45.2	Very low	37.8	Very low	111 Å²	111	99.8 Å²	99.8	67%	0.673	55%	0.547	S	S	*	.			cis	-161.4	153.5	-13.8	134.8	0	0	0	0	109.9
1094	P	36.3	Very low	37.8	Very low	75 Å²	75	100.1 Å²	100.1	49%	0.487	55%	0.549	S	S	.	.			trans	-122.5	-147.2	-174.5	45.8	-34.3	0	0	0	116.6	L901	L901-P1094 HydrophobicContact CD1-CB 4.14Å
1095	N	34.1	Very low	37.9	Very low	93 Å²	93	103.7 Å²	103.7	50%	0.497	56%	0.563	S	S	.	*			trans	92	136.5	172.2	-96.3	82.7	0	0	0	118.1	L901 S902	L901-N1095 CarbonylContact O-C 3.26Å; S902-N1095 PolarHBondContact OG-O 2.81Å
1096	T	34.9	Very low	37.7	Very low	78 Å²	78	105.5 Å²	105.5	48%	0.479	57%	0.574	S	S	.	*			cis	-150.9	145.5	6.5	-41.9	0	0	0	0	115.1	L901 S902 G903	L901-T1096 PolarHBondContact O-N 2.7Å; S902-T1096 WeakPolarHBondContact CA-O 3.17Å; S902-T1096 PolarHBondContact OG-N 3.21Å; G903-T1096 PolarHBondContact N-O 3.25Å
1097	D	38.1	Very low	37.7	Very low	101 Å²	101	104.3 Å²	104.3	54%	0.54	57%	0.565	S	S	.	*			trans	64.7	-175.2	167.8	-108.1	61	0	0	0	119.1	S902	S902-D1097 CarbonylContact C-O 2.98Å; S902-D1097 PolarHBondContact N-O 2.59Å
1098	N	40.2	Very low	37.7	Very low	76 Å²	76	104.7 Å²	104.7	41%	0.406	57%	0.568	S	S	.	*			cis	-162.1	-160.7	31	-142.9	-33.5	0	0	0	117.4	G903 I905	G903-N1098 VanDerWaalsContact C-CB 3.44Å; G903-N1098 VanDerWaalsContact O-CB 3.24Å; G903-N1098 WeakPolarHBondContact O-CB 3.31Å; G903-N1098 PolarHBondContact O-ND2 2.81Å; I905-N1098 WeakPolarHBondContact CD1-OD1 3.13Å; I905-N1098 VanDerWaalsContact CG1-OD1 3.24Å; I905-N1098 WeakPolarHBondContact CG1-OD1 3.36Å
1099	K	40.7	Very low	37.7	Very low	108 Å²	108	103.7 Å²	103.7	47%	0.47	56%	0.557	S	S	.	*			trans	-105.6	159	-161.7	-47.8	166.4	-160.2	162.3	0	120.4	I905	I905-K1099 HydrophobicContact CD1-CB 4.39Å; I905-K1099 HydrophobicContact CD1-CD 3.73Å; I905-K1099 HydrophobicContact CD1-CG 4.13Å; I905-K1099 HydrophobicContact CG1-CB 3.85Å; I905-K1099 HydrophobicContact CG1-CD 4.06Å; I905-K1099 HydrophobicContact CG1-CG 4.14Å; I905-K1099 PolarHBondContact N-O 3.36Å
1100	I	36.2	Very low	37.5	Very low	156 Å²	156	102.9 Å²	102.9	80%	0.8	55%	0.547	S	S	*	.			trans	-124.3	133.9	143.7	-64.1	175.1	0	0	0	110.6
1101	H	33.8	Very low	37.2	Very low	105 Å²	105	99 Å²	99	49%	0.486	53%	0.528	S	S	.	.			trans	-134.1	175.6	151.7	-37.9	-38.1	0	0	0	106.2	H907	H907-H1101 VanDerWaalsContact CB-O 3.24Å; H907-H1101 WeakPolarHBondContact CB-O 3.3Å; H907-H1101 PolarHBondContact ND1-O 2.91Å
1102	Q	37.4	Very low	36.9	Very low	143 Å²	143	98.7 Å²	98.7	67%	0.668	52%	0.524	S	S	*	.			cis	-125.2	-158.3	-15.4	-43.2	179.3	110.9	0	0	108.2	H907	H907-Q1102 PolarHBondContact CD2-N 2.89Å; H907-Q1102 VanDerWaalsContact CD2-N 3.34Å; H907-Q1102 VanDerWaalsContact CE1-C 3.45Å; H907-Q1102 PolarHBondContact CE1-N 2.69Å; H907-Q1102 PolarHBondContact CE1-O 3.33Å; H907-Q1102 VanDerWaalsContact CG-N 3.32Å; H907-Q1102 PolarHBondContact ND1-N 2.92Å; H907-Q1102 WeakPolarHBondContact NE2-CB 3.08Å; H907-Q1102 PolarHBondContact NE2-N 3.12Å
1103	I	36.2	Very low	36.3	Very low	96 Å²	96	97.8 Å²	97.8	49%	0.492	53%	0.528	S	S	.	.			trans	-135.7	124.9	156.8	-75.8	-171.2	0	0	0	110.1
1104	V	35.4	Very low	36	Very low	58 Å²	58	97.7 Å²	97.7	35%	0.352	53%	0.529	S	S	.	.			trans	19.3	127.8	138.1	-174.7	0	0	0	0	116.3	L911	L911-V1104 HydrophobicContact CD1-CG1 4.48Å
1105	E	34.8	Very low	35.9	Very low	137 Å²	137	102.9 Å²	102.9	64%	0.64	54%	0.544	S	S	*	.			cis	-157.8	-179.4	45	-138	-178.5	-119.6	0	0	109	L911	L911-E1105 HydrophobicContact CD1-CG 3.97Å
1106	N	34.1	Very low	35.9	Very low	77 Å²	77	100.8 Å²	100.8	41%	0.412	54%	0.535	S	S	.	.			cis	-163.3	161.9	1.3	-156.6	-18.4	0	0	0	110.8	L911 S912	L911-N1106 VanDerWaalsContact C-OD1 3.29Å; L911-N1106 WeakPolarHBondContact CB-OD1 3.47Å; L911-N1106 PolarHBondContact O-OD1 2.77Å; S912-N1106 PolarHBondContact OG-OD1 2.79Å
1107	S	34.9	Very low	35.9	Very low	61 Å²	61	101.1 Å²	101.1	43%	0.427	54%	0.541	S	S	.	.			trans	71.1	97.8	140.9	-163.5	0	0	0	0	124.2	L911 S912	L911-S1107 VanDerWaalsContact O-CA 3.31Å; L911-S1107 WeakPolarHBondContact O-CA 3.2Å; L911-S1107 PolarHBondContact O-N 2.98Å; S912-S1107 WeakPolarHBondContact CB-OG 3.42Å; S912-S1107 WeakPolarHBondContact OG-CB 3.28Å; S912-S1107 PolarHBondContact OG-OG 3.34Å
1108	S	34.8	Very low	35.9	Very low	88 Å²	88	101.1 Å²	101.1	62%	0.615	54%	0.537	S	S	*	.			trans	60.2	122.1	137.1	-40.6	0	0	0	0	119
1109	K	36.3	Very low	35.6	Very low	131 Å²	131	104 Å²	104	57%	0.57	55%	0.551	S	S	*	*			cis	-166.4	-155	16.8	-119.7	171.5	-169.1	-174.7	0	110.7	L455 P456	L455-K1109 VanDerWaalsContact O-CE 3.25Å; L455-K1109 WeakPolarHBondContact O-CE 3.27Å; L455-K1109 WeakPolarHBondContact O-CG 3.21Å; P456-K1109 WeakPolarHBondContact O-CD 3.24Å; P456-K1109 VanDerWaalsContact O-CE 3.28Å; P456-K1109 WeakPolarHBondContact O-CE 3.49Å; P456-K1109 PolarHBondContact O-NZ 3.17Å
1110	D	36.3	Very low	35.5	Very low	79 Å²	79	105.3 Å²	105.3	42%	0.422	56%	0.562	S	S	.	*			cis	-159.5	-143.4	23	-155.4	61.5	0	0	0	115.5	L455 S457	L455-D1110 WeakPolarHBondContact CA-O 3.12Å; S457-D1110 WeakPolarHBondContact CA-OD2 3.32Å; S457-D1110 PolarHBondContact N-OD1 3.02Å; S457-D1110 VanDerWaalsContact N-OD1 3.11Å
1111	T	33.8	Very low	35.7	Very low	57 Å²	57	102.5 Å²	102.5	35%	0.35	55%	0.554	S	S	.	*			trans	-99.4	130.8	-147.3	-85.1	0	0	0	0	122.6	P456 S457	P456-T1111 WeakPolarHBondContact CA-OG1 3.18Å; P456-T1111 WeakPolarHBondContact CB-OG1 3.24Å; S457-T1111 VanDerWaalsContact CA-OG1 3.25Å; S457-T1111 WeakPolarHBondContact CA-OG1 3.23Å; S457-T1111 WeakPolarHBondContact CB-OG1 3.3Å; S457-T1111 WeakPolarHBondContact OG-CG2 3.1Å; S457-T1111 PolarHBondContact OG-OG1 3.45Å
1112	E	33.5	Very low	35.9	Very low	118 Å²	118	102.9 Å²	102.9	55%	0.551	56%	0.556	S	S	*	*			trans	47.5	97.8	140.5	-57.9	-179.7	177.2	0	0	124.6	L455	L455-E1112 HydrophobicContact CD2-CG 3.47Å; L455-E1112 VanDerWaalsContact CD2-CG 3.47Å; L455-E1112 HydrophobicContact CG-CG 3.84Å
1113	S	35.2	Very low	36	Very low	106 Å²	106	97.6 Å²	97.6	74%	0.741	54%	0.535	S	S	*	.				81.4	157.6	112.7	84.7	0	0	0	0	124.5
1114	P	39.5	Very low	36.1	Very low	108 Å²	108	97.5 Å²	97.5	70%	0.701	54%	0.535	S	S	*	.			trans	-136.6	176.3	-162.3	43.4	-25.1	0	0	0	118.3
1115	F	33.5	Very low	36.2	Very low	185 Å²	185	101.8 Å²	101.8	81%	0.811	56%	0.555	S	S	*	*			trans	-153.5	169.6	166.7	-91.4	-72.8	0	0	0	114.8
1116	T	34.1	Very low	36.2	Very low	48 Å²	48	99.4 Å²	99.4	29%	0.294	55%	0.553	S	S	.	*			trans	-146.8	169.3	-156	69.4	0	0	0	0	119.5	I1286 S1287 Q1288	T1116-I1286 HydrophobicContact CG2-CB 4.36Å; T1116-I1286 HydrophobicContact CG2-CD1 4.25Å; T1116-I1286 HydrophobicContact CG2-CG2 3.54Å; T1116-S1287 CarbonylContact C-O 3.57Å; T1116-S1287 VanDerWaalsContact C-O 3.26Å; T1116-S1287 WeakPolarHBondContact CB-O 3.42Å; T1116-S1287 PolarHBondContact OG1-O 2.95Å; T1116-Q1288 VanDerWaalsContact OG1-CD 3.25Å; T1116-Q1288 WeakPolarHBondContact OG1-CG 3.47Å; T1116-Q1288 PolarHBondContact OG1-NE2 3.49Å; T1116-Q1288 VanDerWaalsContact OG1-NE2 3.09Å
1117	S	36.1	Very low	36.2	Very low	86 Å²	86	101.4 Å²	101.4	60%	0.601	57%	0.568	S	S	*	*			trans	-162.4	165.7	172.4	-71.3	0	0	0	0	116.6	I1286 S1287	S1117-I1286 CarbonylContact O-C 2.9Å; S1117-I1286 VanDerWaalsContact O-CA 3.29Å; S1117-I1286 WeakPolarHBondContact O-CA 3.45Å; S1117-I1286 WeakPolarHBondContact O-CB 3.4Å; S1117-I1286 PolarHBondContact O-N 2.72Å; S1117-S1287 VanDerWaalsContact CA-O 3.27Å; S1117-S1287 WeakPolarHBondContact CA-O 3.17Å; S1117-S1287 PolarHBondContact N-O 3.37Å; S1117-S1287 PolarHBondContact O-N 2.95Å
1118	E	36.4	Very low	36.3	Very low	100 Å²	100	103.8 Å²	103.8	47%	0.467	58%	0.58	S	S	.	*			trans	-139.1	-173.1	-157.4	-154.7	173.6	-67	0	0	118.7	I1120 S1287 Q1288	E1118-I1120 HydrophobicContact CG-CD1 4.21Å; E1118-S1287 WeakPolarHBondContact OE1-CA 2.96Å; E1118-S1287 VanDerWaalsContact OE1-CB 3.27Å; E1118-S1287 WeakPolarHBondContact OE1-CB 3.44Å; E1118-Q1288 PolarHBondContact OE1-N 2.66Å
1119	I	35.6	Very low	36.3	Very low	137 Å²	137	106.1 Å²	106.1	70%	0.703	59%	0.586	S	S	*	*			trans	96.6	117.8	159.8	-58.8	168.4	0	0	0	118.4
1120	I	38.8	Very low	36.4	Very low	136 Å²	136	104 Å²	104	70%	0.697	59%	0.588	S	S	*	*			cis	91.6	134.4	-5.2	-50.6	171.4	0	0	0	117.3	E1118	E1118-I1120 HydrophobicContact CG-CD1 4.21Å
1121	P	39.1	Very low	36.5	Very low	97 Å²	97	108.1 Å²	108.1	63%	0.63	61%	0.605	S	S	*	*			cis	-143.6	-162.6	-25.4	42.7	-21.1	0	0	0	117.4
1122	E	38.5	Very low	36.9	Very low	112 Å²	112	110.6 Å²	110.6	52%	0.523	62%	0.615	S	S	.	*			trans	77.7	168.1	146.2	-90.6	-179.4	-134.4	0	0	124.1	F1275 N1276	E1122-F1275 VanDerWaalsContact O-CD1 3.3Å; E1122-F1275 WeakPolarHBondContact O-CD1 3.34Å; E1122-N1276 PolarHBondContact N-ND2 3.13Å
1123	S	40	Very low	37	Very low	33 Å²	33	113.4 Å²	113.4	23%	0.231	63%	0.626	C	S	.	*			cis	-162.3	117	-7.6	35.3	0	0	0	0	117.5	F1275 N1276	S1123-F1275 VanDerWaalsContact C-CG 3.44Å; S1123-F1275 VanDerWaalsContact O-CB 3.27Å; S1123-F1275 WeakPolarHBondContact O-CB 2.86Å; S1123-F1275 WeakPolarHBondContact O-CD2 3.31Å; S1123-F1275 WeakPolarHBondContact O-CG 3.37Å; S1123-N1276 VanDerWaalsContact C-N 3.34Å; S1123-N1276 VanDerWaalsContact CA-N 3.34Å
1124	N	38.3	Very low	37.3	Very low	94 Å²	94	113.1 Å²	113.1	50%	0.503	62%	0.616	S	S	.	*			trans	91.7	129.8	146.5	-63.7	-46.3	0	0	0	126.6	F1275 N1276	N1124-F1275 VanDerWaalsContact N-C 3.3Å; N1124-N1276 WeakPolarHBondContact CA-O 3.22Å; N1124-N1276 PolarHBondContact N-O 3.33Å
1125	I	37.3	Very low	37.2	Very low	147 Å²	147	115 Å²	115	75%	0.754	61%	0.614	S	S	*	*				74.9	148.6	123.1	-70.3	174.7	0	0	0	121.2
1126	S	34.8	Very low	37.4	Very low	88 Å²	88	111.2 Å²	111.2	62%	0.615	61%	0.605	S	S	*	*			cis	-175.3	-171.5	-25.6	70.9	0	0	0	0	111.5
1127	T	34.1	Very low	37.4	Very low	118 Å²	118	118.3 Å²	118.3	72%	0.724	63%	0.633	S	S	*	*			trans	77.4	142.6	149.7	-64.2	0	0	0	0	120.3
1128	T	35.7	Very low	37.2	Very low	111 Å²	111	118.6 Å²	118.6	68%	0.681	64%	0.635	S	S	*	*			cis	-166.8	159.7	-31.6	43.2	0	0	0	0	110.9
1129	D	35.3	Very low	37.2	Very low	137 Å²	137	117.5 Å²	117.5	73%	0.733	64%	0.643	S	S	*	*			trans	90.2	145.5	135.5	-114.4	-56.6	0	0	0	125.3
1130	S	38.6	Very low	37.2	Very low	87 Å²	87	117 Å²	117	61%	0.608	65%	0.647	S	S	*	*			trans	69.2	144.6	141.7	-75.7	0	0	0	0	121.9
1131	Q	39.3	Very low	37.2	Very low	166 Å²	166	117.2 Å²	117.2	78%	0.776	64%	0.644	S	S	*	*			cis	-157.3	177.4	-11.7	-129.5	-166.8	-45.6	0	0	114.7
1132	D	41.1	Very low	37	Very low	108 Å²	108	118 Å²	118	58%	0.578	65%	0.652	S	S	*	*			trans	-46.5	154.8	-179.9	-53.8	-75.2	0	0	0	118.9	D1134	D1132-D1134 HydrophobicContact CB-CB 4.47Å
1133	F	35.6	Very low	36.8	Very low	177 Å²	177	120.6 Å²	120.6	78%	0.776	66%	0.664	S	S	*	*				-168.4	120.3	117.7	-98.4	-71.5	0	0	0	109
1134	D	41	Very low	36.8	Very low	100 Å²	100	125.6 Å²	125.6	54%	0.535	69%	0.687	S	S	.	*			cis	102.4	145.1	15.1	-164.5	27.2	0	0	0	115.9	D1132	D1132-D1134 HydrophobicContact CB-CB 4.47Å
1135	K	38.1	Very low	36.5	Very low	149 Å²	149	127.9 Å²	127.9	65%	0.648	70%	0.699	S	S	*	*			trans	73.8	140.2	-175.1	-67.2	93	-175.6	164.3	0	117.6
1136	T	37.7	Very low	36.3	Very low	104 Å²	104	126.1 Å²	126.1	64%	0.638	70%	0.695	S	S	*	*			cis	109	113.5	5.7	-62.6	0	0	0	0	115.9
1137	F	34.5	Very low	36.4	Very low	197 Å²	197	129.2 Å²	129.2	86%	0.864	70%	0.7	S	S	*	*			trans	-160.7	125.7	145.4	-93.7	-76.5	0	0	0	106.7
1138	S	32	Very low	36.6	Very low	93 Å²	93	132 Å²	132	65%	0.65	70%	0.702	S	S	*	*			cis	79.5	155.9	14.7	125.3	0	0	0	0	116.4
1139	A	35.2	Very low	37.1	Very low	77 Å²	77	131.7 Å²	131.7	64%	0.636	70%	0.702	S	S	*	*			trans	77.5	157.5	-176.9	0	0	0	0	0	116.8
1140	T	36.7	Very low	37.4	Very low	127 Å²	127	133.5 Å²	133.5	78%	0.779	71%	0.706	S	S	*	*				179.8	144	-62.9	32.3	0	0	0	0	108.8
1141	H	39	Very low	37.4	Very low	140 Å²	140	134.8 Å²	134.8	65%	0.648	71%	0.71	S	S	*	*			trans	-161.2	114.9	140.7	-127.3	-106.5	0	0	0	112.8	E1143	H1141-E1143 PolarHBondContact ND1-O 3.28Å
1142	S	34.6	Very low	37.2	Very low	113 Å²	113	136 Å²	136	79%	0.79	71%	0.713	S	S	*	*			trans	-91.5	168.3	132.1	-64.7	0	0	0	0	106.9
1143	E	34.9	Very low	37.7	Very low	166 Å²	166	135 Å²	135	78%	0.776	71%	0.713	S	S	*	*			trans	89.3	162.2	179	-154.5	155.6	-129.1	0	0	115.4	H1141	H1141-E1143 PolarHBondContact ND1-O 3.28Å
1144	L	40.3	Very low	37.8	Very low	138 Å²	138	130.5 Å²	130.5	72%	0.723	70%	0.697	S	S	*	*			trans	71.3	88.9	-156.7	-50.9	-176.8	0	0	0	113.6
1145	L	31.4	Very low	37.7	Very low	142 Å²	142	129.7 Å²	129.7	74%	0.743	69%	0.692	S	S	*	*				98.9	123	70.7	-102.2	73	0	0	0	113.7
1146	T	31.8	Very low	37.8	Very low	111 Å²	111	131 Å²	131	68%	0.681	70%	0.698	S	S	*	*			trans	6.6	137.3	147	51.6	0	0	0	0	121
1147	Q	37.4	Very low	37.9	Very low	153 Å²	153	132.2 Å²	132.2	72%	0.715	70%	0.704	S	S	*	*				165.5	72.8	112.3	-159.6	80.5	-19.9	0	0	117.4
1148	F	38.2	Very low	38.1	Very low	176 Å²	176	127.5 Å²	127.5	77%	0.772	70%	0.696	S	S	*	*			trans	62.3	177	147.4	-66.9	-70.6	0	0	0	121.8
1149	P	45.9	Very low	38.6	Very low	105 Å²	105	124.6 Å²	124.6	68%	0.682	68%	0.68	S	S	*	*			cis	-141.6	148.2	-46.2	37.8	-19.3	0	0	0	120.3
1150	H	43.3	Very low	39	Very low	174 Å²	174	126.3 Å²	126.3	81%	0.806	68%	0.678	S	S	*	*			trans	72	133.2	133.3	-85.2	-70.8	0	0	0	130.1
1151	V	36.9	Very low	39.3	Very low	115 Å²	115	126.3 Å²	126.3	70%	0.697	67%	0.672	S	S	*	*			trans	114	97.8	130.8	166.6	0	0	0	0	126.4
1152	F	35.5	Very low	39.4	Very low	190 Å²	190	123.6 Å²	123.6	83%	0.833	67%	0.669	S	S	*	*			trans	64.4	0	131.4	-63.2	-55.1	0	0	0	129.8
1153	P	51.1	Low	39.9	Very low	88 Å²	88	125 Å²	125	57%	0.571	67%	0.668	S	S	*	*				0	-171.8	0	46.9	-25.8	0	0	0	123.3	F517	F517-P1153 HydrophobicContact CB-CB 4.4Å
1154	D	38.5	Very low	40.8	Very low	83 Å²	83	124.2 Å²	124.2	44%	0.444	67%	0.674	S	S	.	*			trans	118.1	118.1	142.2	-76.6	8.8	0	0	0	129.2	F517 S518	F517-D1154 WeakPolarHBondContact CA-OD1 3.27Å; F517-D1154 WeakPolarHBondContact CB-OD1 3.31Å; S518-D1154 PolarHBondContact N-OD1 3.34Å; S518-D1154 PolarHBondContact N-OD2 2.96Å; S518-D1154 VanDerWaalsContact N-OD2 3.07Å
1155	L	39.7	Very low	41.1	Very low	82 Å²	82	124.1 Å²	124.1	43%	0.429	68%	0.679	S	S	.	*				86.8	117	127.1	-60.5	172.7	0	0	0	133.4	N516	N516-L1155 PolarHBondContact O-N 3.48Å
1156	K	39	Very low	41.8	Very low	177 Å²	177	125.9 Å²	125.9	77%	0.77	68%	0.684	S	S	*	*				83.4	126.6	124.2	-75.1	178.2	179.9	140.6	0	133.8
1157	V	39.9	Very low	42.2	Very low	129 Å²	129	128.1 Å²	128.1	78%	0.782	69%	0.69	S	S	*	*				96.5	131.7	116.7	167.1	0	0	0	0	131.6
1158	S	39.9	Very low	42.2	Very low	99 Å²	99	126.4 Å²	126.4	69%	0.692	69%	0.692	S	S	*	*			trans	97.2	161.8	140.7	-92.1	0	0	0	0	131.9
1159	G	42.6	Very low	42.5	Very low	31 Å²	31	124.9 Å²	124.9	32%	0.32	70%	0.697	S	S	.	*			trans	-176	-176	176.7	0	0	0	0	0	118	S554 T555	S554-G1159 CarbonylContact C-O 3.48Å; T555-G1159 WeakPolarHBondContact CA-O 2.95Å
1160	I	42.8	Very low	42	Very low	114 Å²	114	130.1 Å²	130.1	59%	0.585	71%	0.71	S	S	*	*			trans	-155.1	142.7	-169.2	49.8	165.3	0	0	0	126	S554 A556	S554-I1160 WeakPolarHBondContact O-CA 3.37Å; A556-I1160 CarbonylContact C-O 3.59Å; A556-I1160 VanDerWaalsContact C-O 3.31Å; A556-I1160 PolarHBondContact N-O 3.39Å
1161	L	42.3	Very low	41.7	Very low	126 Å²	126	127.9 Å²	127.9	66%	0.66	71%	0.714	S	S	*	*			trans	56.8	161.2	146.2	-57.4	169	0	0	0	125.6	A556	A556-L1161 VanDerWaalsContact CB-O 3.27Å; A556-L1161 WeakPolarHBondContact CB-O 3.33Å
1162	S	42.7	Very low	41.7	Very low	84 Å²	84	131.2 Å²	131.2	59%	0.587	72%	0.722	S	S	*	*			cis	175.8	178.7	-12.8	-91.2	0	0	0	0	111.7
1163	D	43.2	Very low	41.7	Very low	143 Å²	143	129.2 Å²	129.2	77%	0.765	72%	0.72	S	S	*	*			cis	-172.2	157.3	-36.8	-69	-33.8	0	0	0	113.5
1164	T	54.4	Low	40.8	Very low	148 Å²	148	133.3 Å²	133.3	91%	0.908	73%	0.731	S	S	*	*			trans	-161.9	162.5	171.8	-67.1	0	0	0	0	116.7
1165	V	46.2	Very low	40.7	Very low	136 Å²	136	134.1 Å²	134.1	82%	0.824	74%	0.743	S	S	*	*			trans	-147.7	157.6	-154.2	-179.6	0	0	0	0	119.2
1166	E	46.5	Very low	40.5	Very low	180 Å²	180	139.1 Å²	139.1	84%	0.841	76%	0.764	S	S	*	*			trans	-144.7	-160.1	158.5	-143.6	173.9	-142.8	0	0	116.6
1167	I	40.1	Very low	40.7	Very low	157 Å²	157	139.5 Å²	139.5	81%	0.805	77%	0.769	S	S	*	*			trans	-120.5	154.4	-142.7	-67.8	171.4	0	0	0	116.9
1168	P	38.6	Very low	40.9	Very low	117 Å²	117	142.1 Å²	142.1	76%	0.76	77%	0.773	S	S	*	*			trans	-109.8	165.3	-170.2	41.3	-35.5	0	0	0	118.8
1169	T	44.3	Very low	41	Very low	144 Å²	144	144.3 Å²	144.3	88%	0.883	78%	0.777	S	S	*	*			trans	-139.5	169.4	176.6	45.7	0	0	0	0	114.1
1170	F	34.7	Very low	40.9	Very low	215 Å²	215	147.9 Å²	147.9	94%	0.943	80%	0.803	S	S	*	*			trans	-111	134.8	179.4	-79.4	-117.8	0	0	0	112.2
1171	S	36.6	Very low	40.6	Very low	127 Å²	127	145.2 Å²	145.2	89%	0.888	80%	0.804	S	S	*	*			trans	-167.3	176.6	147.4	48.8	0	0	0	0	110.8
1172	E	37.9	Very low	40.6	Very low	185 Å²	185	150.4 Å²	150.4	86%	0.864	82%	0.815	S	S	*	*			trans	-95	126.3	-171.6	-59.9	160.3	118.8	0	0	111.6
1173	D	35.9	Very low	40.5	Very low	148 Å²	148	153.7 Å²	153.7	79%	0.791	83%	0.825	S	S	*	*			trans	-179.4	135.4	156.3	-92.3	-23.2	0	0	0	107.9
1174	E	31.4	Very low	40.5	Very low	175 Å²	175	153.9 Å²	153.9	82%	0.818	83%	0.825	S	S	*	*				70.7	152.2	99.4	-60.9	-144.6	125.9	0	0	116.8
1175	S	36	Very low	40.2	Very low	99 Å²	99	151.7 Å²	151.7	69%	0.692	81%	0.806	S	S	*	*			trans	68.7	129.8	177.3	-53.3	0	0	0	0	116.4
1176	E	35.7	Very low	40.2	Very low	187 Å²	187	150 Å²	150	87%	0.874	79%	0.793	S	S	*	*				58.1	119.9	91.8	-55.3	177.8	142.2	0	0	112.5
1177	E	43.5	Very low	40.4	Very low	185 Å²	185	146.1 Å²	146.1	86%	0.864	78%	0.783	S	S	*	*				-164.1	131.6	88.6	-173.4	177.5	107.5	0	0	114.2
1178	E	42.8	Very low	41.1	Very low	184 Å²	184	144.4 Å²	144.4	86%	0.86	78%	0.775	S	S	*	*			trans	44.6	151.2	145	-55.6	-159.4	129.3	0	0	129.7
1179	D	41.9	Very low	41.9	Very low	145 Å²	145	143.6 Å²	143.6	78%	0.775	77%	0.768	S	S	*	*			trans	1.1	115.6	168.4	-163.1	16.9	0	0	0	123.4	G1181	D1179-G1181 PolarHBondContact OD1-N 2.95Å
1180	A	41.4	Very low	42	Very low	106 Å²	106	144.2 Å²	144.2	88%	0.876	76%	0.763	S	S	*	*	S	Bend	trans	-147.7	54.3	147.4	0	0	0	0	0	113
1181	G	37	Very low	42.6	Very low	59 Å²	59	136.2 Å²	136.2	61%	0.608	74%	0.737	S	S	*	*			trans	69.9	49.7	154.5	0	0	0	0	0	118.3	D1179	D1179-G1181 PolarHBondContact OD1-N 2.95Å
1182	R	41.1	Very low	42.9	Very low	234 Å²	234	134.1 Å²	134.1	88%	0.883	72%	0.722	S	S	*	*			trans	-101.3	90.5	149.4	-82.6	-174.7	176	-92.5	3.9	109.2	I1184	R1182-I1184 VanDerWaalsContact C-N 3.27Å; R1182-I1184 PolarHBondContact O-N 3.4Å
1183	L	41.1	Very low	43	Very low	154 Å²	154	131.7 Å²	131.7	81%	0.806	72%	0.719	S	S	*	*			trans	-64.5	87.1	171.5	-71.2	173.9	0	0	0	110.6	I1185	L1183-I1185 HydrophobicContact CB-CG1 4.2Å; L1183-I1185 PolarHBondContact O-N 3.21Å
1184	I	43	Very low	43.2	Very low	147 Å²	147	130.8 Å²	130.8	75%	0.754	71%	0.714	S	S	*	*			trans	-80.2	93.2	155	-58	175.4	0	0	0	104.6	R1182 D1186	R1182-I1184 VanDerWaalsContact C-N 3.27Å; R1182-I1184 PolarHBondContact O-N 3.4Å; I1184-D1186 PolarHBondContact O-N 2.91Å
1185	I	48.4	Very low	43.6	Very low	101 Å²	101	127.3 Å²	127.3	52%	0.518	71%	0.705	S	S	.	*			trans	-85.1	103.4	171.1	-59.2	174.9	0	0	0	105.6	L1183 M1190	L1183-I1185 HydrophobicContact CB-CG1 4.2Å; L1183-I1185 PolarHBondContact O-N 3.21Å; I1185-M1190 HydrophobicContact CG2-CG 4.08Å; I1185-M1190 HydrophobicContact CG2-SD 4.07Å
1186	D	46.2	Very low	43.8	Very low	102 Å²	102	128.6 Å²	128.6	55%	0.545	71%	0.711	S	S	.	*			trans	-61.9	136.4	162.5	-89.7	-40	0	0	0	108.6	I1184 D1188 V1189	I1184-D1186 PolarHBondContact O-N 2.91Å; D1186-D1188 PolarHBondContact O-N 2.86Å; D1186-D1188 VanDerWaalsContact O-N 3.15Å; D1186-V1189 HydrophobicContact CB-CG2 4.13Å; D1186-V1189 PolarHBondContact O-N 2.99Å
1187	P	50.4	Low	43.5	Very low	98 Å²	98	127.3 Å²	127.3	64%	0.636	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-60.4	-28.3	-174.8	23.8	-33	0	0	0	112.7	V1189	P1187-V1189 PolarHBondContact O-N 3.48Å
1188	D	55.2	Low	43.1	Very low	120 Å²	120	123 Å²	123	64%	0.642	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-82.2	-14.4	-170.2	-50	-28.2	0	0	0	113.2	D1186 S1192	D1186-D1188 PolarHBondContact O-N 2.86Å; D1186-D1188 VanDerWaalsContact O-N 3.15Å; D1188-S1192 PolarHBondContact O-OG 3.26Å
1189	V	54.7	Low	42.6	Very low	101 Å²	101	120.7 Å²	120.7	61%	0.612	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-86.6	-14	-177.7	-176	0	0	0	0	112.4	D1186 P1187	D1186-V1189 HydrophobicContact CB-CG2 4.13Å; D1186-V1189 PolarHBondContact O-N 2.99Å; P1187-V1189 PolarHBondContact O-N 3.48Å
1190	M	46.1	Very low	42.1	Very low	157 Å²	157	117.4 Å²	117.4	77%	0.773	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-88.2	-5.9	170.8	-73	-164.2	65.9	0	0	113.9	I1185	I1185-M1190 HydrophobicContact CG2-CG 4.08Å; I1185-M1190 HydrophobicContact CG2-SD 4.07Å
1191	A	48.4	Very low	41.8	Very low	47 Å²	47	120 Å²	120	39%	0.388	70%	0.698	S	S	.	*	S	Bend	trans	-97.2	1.7	-178.4	0	0	0	0	0	114.1
1192	S	42.2	Very low	41.6	Very low	82 Å²	82	126.4 Å²	126.4	57%	0.573	71%	0.712	S	S	*	*			trans	-135.9	23.6	-158.1	45.5	0	0	0	0	115.8	D1188	D1188-S1192 PolarHBondContact O-OG 3.26Å
1193	V	39.8	Very low	41.3	Very low	134 Å²	134	122.5 Å²	122.5	81%	0.812	70%	0.703	S	S	*	*			trans	-116	87.3	159.9	-175.3	0	0	0	0	109.6	V1195	V1193-V1195 PolarHBondContact O-N 3.33Å
1194	N	41.6	Very low	40.7	Very low	129 Å²	129	124.1 Å²	124.1	69%	0.69	70%	0.7	S	S	*	*			trans	-65.3	121.1	169.6	-77.1	-10.3	0	0	0	110.3	P1196	N1194-P1196 WeakPolarHBondContact O-CD 3.29Å
1195	V	39.3	Very low	40.2	Very low	103 Å²	103	124 Å²	124	62%	0.624	70%	0.699	S	S	*	*				18.1	99.3	124.5	-177.9	0	0	0	0	115.7	V1193 L1197	V1193-V1195 PolarHBondContact O-N 3.33Å; V1195-L1197 HydrophobicContact CG1-CB 3.66Å; V1195-L1197 HydrophobicContact CG1-CD1 3.74Å; V1195-L1197 HydrophobicContact CG1-CG 3.49Å; V1195-L1197 VanDerWaalsContact CG1-CG 3.49Å; V1195-L1197 PolarHBondContact O-N 3.28Å
1196	P	39.2	Very low	39.3	Very low	126 Å²	126	123 Å²	123	82%	0.818	70%	0.698	S	S	*	*			trans	-84.9	82.4	147	32.2	-30.1	0	0	0	109	N1194 S1198	N1194-P1196 WeakPolarHBondContact O-CD 3.29Å; P1196-S1198 VanDerWaalsContact C-N 3.32Å; P1196-S1198 PolarHBondContact O-N 2.86Å
1197	L	30.2	Very low	38.7	Very low	160 Å²	160	126.8 Å²	126.8	84%	0.838	71%	0.712	S	S	*	*			trans	-73.4	88.6	163.9	-100.5	169.6	0	0	0	108.6	V1195	V1195-L1197 HydrophobicContact CG1-CB 3.66Å; V1195-L1197 HydrophobicContact CG1-CD1 3.74Å; V1195-L1197 HydrophobicContact CG1-CG 3.49Å; V1195-L1197 VanDerWaalsContact CG1-CG 3.49Å; V1195-L1197 PolarHBondContact O-N 3.28Å
1198	S	35.1	Very low	37.8	Very low	94 Å²	94	128.3 Å²	128.3	66%	0.657	72%	0.72	S	S	*	*			trans	-152.7	111.1	151.9	-167.6	0	0	0	0	108.5	P1196	P1196-S1198 VanDerWaalsContact C-N 3.32Å; P1196-S1198 PolarHBondContact O-N 2.86Å
1199	T	32.4	Very low	36.6	Very low	135 Å²	135	129.9 Å²	129.9	83%	0.828	73%	0.727	S	S	*	*				41.9	113.2	85.1	48.4	0	0	0	0	113.9
1200	G	32.2	Very low	35.5	Very low	77 Å²	77	133.1 Å²	133.1	79%	0.794	73%	0.733	S	S	*	*			trans	175.1	50.1	-174.9	0	0	0	0	0	112.7
1201	N	35.1	Very low	34.8	Very low	160 Å²	160	132.7 Å²	132.7	86%	0.856	73%	0.73	S	S	*	*			trans	-67	136.8	172.4	-70.4	-9.8	0	0	0	110
1202	H	32.3	Very low	34	Very low	194 Å²	194	137 Å²	137	90%	0.898	75%	0.746	S	S	*	*			trans	-152.9	161.5	132	-114.9	-79.1	0	0	0	110.5
1203	H	34.6	Very low	33.7	Very low	151 Å²	151	138.3 Å²	138.3	70%	0.699	75%	0.753	S	S	*	*			trans	-153.8	148.4	-157.2	-137.8	12.3	0	0	0	109.9
1204	Y	28.6	Very low	33.5	Very low	188 Å²	188	138.8 Å²	138.8	74%	0.737	75%	0.75	S	S	*	*			trans	80.2	139.7	150.9	-87.3	-64.1	0	0	0	123.6
1205	I	32.3	Very low	33.1	Very low	146 Å²	146	137.4 Å²	137.4	75%	0.749	75%	0.747	S	S	*	*			trans	58.8	161.2	160.8	23.6	169	0	0	0	118.9
1206	T	30	Very low	32.8	Very low	78 Å²	78	139 Å²	139	48%	0.479	75%	0.751	S	S	.	*			cis	-150.1	157.4	11.6	-15.3	0	0	0	0	114.1	F508	F508-T1206 WeakPolarHBondContact CE1-O 3.33Å
1207	E	32	Very low	32.4	Very low	183 Å²	183	141.3 Å²	141.3	86%	0.855	74%	0.743	S	S	*	*			trans	34.3	173.7	138.6	-81.4	-179.9	160.5	0	0	126.1
1208	T	31.4	Very low	32.6	Very low	130 Å²	130	139.5 Å²	139.5	80%	0.798	73%	0.73	S	S	*	*			trans	-100.7	141	-173.7	52.1	0	0	0	0	114.6
1209	L	30.2	Very low	32.4	Very low	152 Å²	152	140.6 Å²	140.6	80%	0.796	73%	0.729	S	S	*	*			trans	73	120.7	143.6	-155.1	94.4	0	0	0	120.1
1210	K	31.9	Very low	32.4	Very low	170 Å²	170	139.7 Å²	139.7	74%	0.739	72%	0.718	S	S	*	*			trans	83.6	139.6	146.5	-100.4	-176.5	-179.5	-171.1	0	121.5
1211	Q	31.9	Very low	32.3	Very low	148 Å²	148	145.8 Å²	145.8	69%	0.692	72%	0.719	S	S	*	*			trans	73.5	106	151.2	-70.2	-173.3	-109.8	0	0	120.5
1212	D	31.1	Very low	32.1	Very low	137 Å²	137	141.8 Å²	141.8	73%	0.733	70%	0.703	S	S	*	*			trans	67.4	145.9	137.7	-64	-58.7	0	0	0	119.9
1213	P	37.4	Very low	32.2	Very low	110 Å²	110	140 Å²	140	71%	0.714	70%	0.699	S	S	*	*			trans	-81.1	141.8	172.9	33.8	-32	0	0	0	109.9
1214	D	34.4	Very low	32	Very low	143 Å²	143	137.3 Å²	137.3	77%	0.765	70%	0.698	S	S	*	*				-159.8	143.7	125.7	-124.5	-13.4	0	0	0	115.5
1215	V	33.1	Very low	32.2	Very low	101 Å²	101	133.9 Å²	133.9	61%	0.612	70%	0.702	S	S	*	*				45.6	117.6	127.9	147.7	0	0	0	0	119.8
1216	L	33.9	Very low	32.2	Very low	136 Å²	136	133.2 Å²	133.2	71%	0.712	70%	0.699	S	S	*	*			trans	71.8	160.5	148	-54.3	175.1	0	0	0	114.7
1217	R	30.9	Very low	32.3	Very low	175 Å²	175	135.1 Å²	135.1	66%	0.66	71%	0.707	S	S	*	*			cis	-162.3	-178.2	-9	-124.7	168	145.3	-172	-33.1	109
1218	E	33.1	Very low	32.4	Very low	121 Å²	121	133.4 Å²	133.4	57%	0.565	70%	0.701	S	S	*	*			trans	27.6	139.6	133.3	-63.1	161.5	179.9	0	0	119.3
1219	D	32.4	Very low	32.3	Very low	118 Å²	118	131 Å²	131	63%	0.631	69%	0.689	S	S	*	*			cis	-172.2	177.1	6.4	-120.9	-15.7	0	0	0	114.6
1220	L	31.5	Very low	32.4	Very low	115 Å²	115	134.1 Å²	134.1	60%	0.602	69%	0.692	S	S	*	*			trans	35.1	134.5	137.5	-57.3	162.4	0	0	0	121
1221	Y	30	Very low	32.5	Very low	206 Å²	206	132.2 Å²	132.2	81%	0.808	69%	0.689	S	S	*	*				79.3	159.1	126.5	-81.9	-146.7	0	0	0	118.5
1222	S	31.9	Very low	32.7	Very low	75 Å²	75	132.2 Å²	132.2	52%	0.524	69%	0.689	S	S	.	*			cis	-170	-157.9	-22.8	-101.5	0	0	0	0	107.9
1223	L	32.9	Very low	32.9	Very low	156 Å²	156	132.5 Å²	132.5	82%	0.817	69%	0.686	S	S	*	*			trans	85.7	96.6	161.9	-47	-178	0	0	0	111.6
1224	S	30.8	Very low	32.8	Very low	96 Å²	96	133.8 Å²	133.8	67%	0.671	69%	0.686	S	S	*	*			cis	63.2	102	31.6	-32.5	0	0	0	0	113
1225	S	33.3	Very low	32.8	Very low	116 Å²	116	131.3 Å²	131.3	81%	0.811	68%	0.68	S	S	*	*			trans	-176.1	146.4	159	-77.3	0	0	0	0	109.4
1226	D	33.1	Very low	32.8	Very low	131 Å²	131	131 Å²	131	70%	0.701	68%	0.683	S	S	*	*			cis	-166.3	150.9	-34.2	-130.3	13.5	0	0	0	111.3
1227	N	31.2	Very low	32.9	Very low	119 Å²	119	132 Å²	132	64%	0.636	68%	0.683	S	S	*	*			trans	64.9	153.1	145.7	-84.2	-54.6	0	0	0	124.6
1228	M	33.3	Very low	33	Very low	147 Å²	147	126.4 Å²	126.4	72%	0.724	68%	0.675	S	S	*	*			trans	74.5	112.5	170.2	-54.1	-58.7	101.9	0	0	117.2
1229	S	29.2	Very low	33.2	Very low	79 Å²	79	129.1 Å²	129.1	55%	0.552	69%	0.685	S	S	*	*			cis	87.4	113.5	40.4	-176.7	0	0	0	0	114.4
1230	Y	32.6	Very low	33.3	Very low	218 Å²	218	127.6 Å²	127.6	86%	0.855	68%	0.677	S	S	*	*				-170	166.1	110.3	-107.3	-76.8	0	0	0	111
1231	N	34.7	Very low	33.5	Very low	129 Å²	129	127.4 Å²	127.4	69%	0.69	69%	0.686	S	S	*	*			trans	-110.7	155.1	-166.7	-42.4	-74.1	0	0	0	113.7
1232	H	34.9	Very low	33.8	Very low	149 Å²	149	124.6 Å²	124.6	69%	0.69	68%	0.683	S	S	*	*				-156.1	131.2	111.2	-104.5	-84.6	0	0	0	107.3
1233	E	36.4	Very low	34.2	Very low	143 Å²	143	129 Å²	129	67%	0.668	70%	0.695	S	S	*	*				66.8	131.1	65.7	-101.6	-165.5	156.3	0	0	113.3
1234	L	35.5	Very low	34.6	Very low	136 Å²	136	126.1 Å²	126.1	71%	0.712	69%	0.685	S	S	*	*			cis	-135	138.6	11.4	-82.4	157.5	0	0	0	110.2
1235	S	33.7	Very low	34.9	Very low	91 Å²	91	131.5 Å²	131.5	64%	0.636	69%	0.692	S	S	*	*				72.9	107.1	78.6	-147.1	0	0	0	0	113
1236	S	34.2	Very low	34.8	Very low	96 Å²	96	130.9 Å²	130.9	67%	0.671	69%	0.688	S	S	*	*				68.9	150.9	70	-63.3	0	0	0	0	113.2
1237	Q	35.7	Very low	35	Very low	155 Å²	155	135.9 Å²	135.9	72%	0.724	70%	0.697	S	S	*	*			cis	-165.7	161.4	-12	-108	168.8	-3.5	0	0	105.9	F1239	Q1237-F1239 HydrophobicContact CB-CD2 4.47Å
1238	A	32.3	Very low	35.3	Very low	59 Å²	59	136.1 Å²	136.1	49%	0.488	70%	0.703	S	S	.	*			trans	-82.8	142.9	165.9	0	0	0	0	0	110.7
1239	F	37.3	Very low	35.5	Very low	178 Å²	178	133.8 Å²	133.8	78%	0.781	70%	0.701	S	S	*	*			trans	-150.2	136.9	166.5	-94.8	-67.7	0	0	0	113.1	Q1237	Q1237-F1239 HydrophobicContact CB-CD2 4.47Å
1240	D	34.9	Very low	36	Very low	86 Å²	86	135.3 Å²	135.3	46%	0.46	71%	0.711	S	S	.	*			trans	-73.9	157.6	175.9	-65	-67.8	0	0	0	113.7	S480	S480-D1240 WeakPolarHBondContact CB-OD2 3.47Å; S480-D1240 PolarHBondContact OG-OD2 3.24Å
1241	S	35.3	Very low	36.3	Very low	111 Å²	111	130.6 Å²	130.6	78%	0.776	71%	0.706	S	S	*	*			trans	-88.7	153.4	153.2	-64.6	0	0	0	0	108.7
1242	I	37.2	Very low	36.5	Very low	147 Å²	147	130 Å²	130	75%	0.754	71%	0.707	S	S	*	*				-167.1	125.2	69.2	-87.7	177.8	0	0	0	110.1
1243	H	39.1	Very low	36.7	Very low	168 Å²	168	130.6 Å²	130.6	78%	0.778	71%	0.714	S	S	*	*			trans	61.3	172.8	149.3	-86.7	-103.3	0	0	0	121.1
1244	P	42	Very low	37.1	Very low	94 Å²	94	128.6 Å²	128.6	61%	0.61	71%	0.714	S	S	*	*			cis	-134.9	173.2	-8.9	21.3	3.1	0	0	0	117.8
1245	Y	36.1	Very low	37.2	Very low	210 Å²	210	130.6 Å²	130.6	82%	0.824	72%	0.719	S	S	*	*			trans	66.7	108.7	147.3	-71.2	-52	0	0	0	122.2
1246	S	32.9	Very low	37.4	Very low	102 Å²	102	130.5 Å²	130.5	71%	0.713	72%	0.719	S	S	*	*				164.7	145.4	95.8	-74.6	0	0	0	0	115
1247	R	36.5	Very low	37.6	Very low	237 Å²	237	130.9 Å²	130.9	89%	0.894	72%	0.721	S	S	*	*			trans	67.7	147.5	168.4	-58.5	178.1	-167.1	-127.3	0.1	115.2
1248	T	37.9	Very low	37.8	Very low	124 Å²	124	131 Å²	131	76%	0.761	72%	0.724	S	S	*	*			cis	-168.8	162.2	-12.5	23.1	0	0	0	0	106
1249	S	37.8	Very low	38.1	Very low	97 Å²	97	133.3 Å²	133.3	68%	0.678	74%	0.736	S	S	*	*			cis	-166.7	-178.7	2.1	-112	0	0	0	0	109.3
1250	S	39.2	Very low	38	Very low	111 Å²	111	129.1 Å²	129.1	78%	0.776	73%	0.729	S	S	*	*			trans	66.2	145.1	160.7	40.5	0	0	0	0	118.5
1251	T	38.7	Very low	37.9	Very low	120 Å²	120	135 Å²	135	74%	0.736	75%	0.751	S	S	*	*			cis	-164.9	132.9	-7.2	-95.4	0	0	0	0	110.4
1252	T	38.2	Very low	37.9	Very low	116 Å²	116	133.5 Å²	133.5	71%	0.712	75%	0.753	S	S	*	*			trans	16.3	151.5	154.1	57.3	0	0	0	0	122.7
1253	L	39.6	Very low	37.7	Very low	161 Å²	161	134.1 Å²	134.1	84%	0.843	76%	0.758	S	S	*	*			cis	-163	-171.2	9.1	-107.5	161.8	0	0	0	109
1254	P	44	Very low	37.7	Very low	101 Å²	101	131.2 Å²	131.2	66%	0.656	75%	0.754	S	S	*	*			trans	-122.4	179.7	-154.4	45.9	-38.2	0	0	0	116.8
1255	Q	39	Very low	37	Very low	178 Å²	178	132.5 Å²	132.5	83%	0.832	76%	0.76	S	S	*	*				-174.9	136.5	125.1	-108	-176.4	-76.2	0	0	117.1
1256	S	37.4	Very low	36.9	Very low	89 Å²	89	132.4 Å²	132.4	62%	0.622	76%	0.759	S	S	*	*			trans	36.7	127	141.8	66.2	0	0	0	0	124.5
1257	S	38.7	Very low	37.1	Very low	104 Å²	104	131.2 Å²	131.2	73%	0.727	75%	0.751	S	S	*	*				141.4	142.7	102.1	66.3	0	0	0	0	117.6
1258	M	38.8	Very low	37.3	Very low	159 Å²	159	124.7 Å²	124.7	78%	0.783	74%	0.742	S	S	*	*			trans	49.4	106.1	155.8	-61	-59.2	96.9	0	0	120.2
1259	S	39.3	Very low	37.1	Very low	106 Å²	106	126.2 Å²	126.2	74%	0.741	75%	0.746	S	S	*	*				105.5	154.5	88.6	74.3	0	0	0	0	111.8
1260	S	34.6	Very low	37	Very low	91 Å²	91	126.3 Å²	126.3	64%	0.636	75%	0.746	S	S	*	*			cis	-162.9	149.6	-8.4	-119.6	0	0	0	0	110.9
1261	F	34.3	Very low	36.9	Very low	208 Å²	208	129.8 Å²	129.8	91%	0.912	75%	0.747	S	S	*	*			trans	43	142.2	160.4	-57.5	-68.7	0	0	0	122
1262	G	35.4	Very low	36.7	Very low	80 Å²	80	128.4 Å²	128.4	83%	0.825	74%	0.739	S	S	*	*			trans	148.7	38.8	156.4	0	0	0	0	0	121.1
1263	N	32.7	Very low	36.7	Very low	161 Å²	161	130.3 Å²	130.3	86%	0.861	74%	0.74	S	S	*	*			trans	-72.1	164.9	164.2	-98.6	-2.6	0	0	0	111.2
1264	P	38.3	Very low	36.5	Very low	106 Å²	106	126.3 Å²	126.3	69%	0.688	73%	0.725	S	S	*	*			cis	-138.1	-168.7	-4.2	31	-6.5	0	0	0	115
1265	V	28.5	Very low	36.1	Very low	122 Å²	122	128.3 Å²	128.3	74%	0.739	72%	0.724	S	S	*	*			trans	68.1	107.7	161.4	-166.5	0	0	0	0	118.4
1266	Y	32.9	Very low	36	Very low	207 Å²	207	123.1 Å²	123.1	81%	0.812	70%	0.702	S	S	*	*				-179.6	140.4	119.5	-113	-81.6	0	0	0	109.6
1267	S	37.6	Very low	35.7	Very low	78 Å²	78	123.6 Å²	123.6	55%	0.545	71%	0.705	S	S	.	*			trans	-165.5	147.6	170.6	-70.9	0	0	0	0	111.6
1268	S	41.1	Very low	35.4	Very low	99 Å²	99	123.6 Å²	123.6	69%	0.692	71%	0.705	S	S	*	*			cis	-174.8	104.2	-29.6	-107.3	0	0	0	0	107.7
1269	D	32.1	Very low	35.1	Very low	157 Å²	157	122.5 Å²	122.5	84%	0.84	71%	0.707	S	S	*	*			trans	-74.8	150.9	162.1	-68.3	-59.8	0	0	0	110.1
1270	S	36.4	Very low	34.8	Very low	98 Å²	98	127.6 Å²	127.6	69%	0.685	71%	0.712	S	S	*	*				157.3	130.7	121.8	-74.2	0	0	0	0	115.1
1271	F	36.8	Very low	34.6	Very low	184 Å²	184	127.8 Å²	127.8	81%	0.807	71%	0.713	S	S	*	*			trans	69.4	141.3	136.1	-77.6	-123.9	0	0	0	119.5
1272	T	35.9	Very low	34.5	Very low	92 Å²	92	123.1 Å²	123.1	56%	0.564	70%	0.702	S	S	*	*			cis	-161.3	158.4	-11.7	8.4	0	0	0	0	111.7
1273	H	36.3	Very low	34.5	Very low	155 Å²	155	127.6 Å²	127.6	72%	0.718	70%	0.701	S	S	*	*			trans	46.7	111	155.2	-63.1	-52.5	0	0	0	119.8
1274	S	36.9	Very low	34.5	Very low	77 Å²	77	124.8 Å²	124.8	54%	0.538	69%	0.693	S	S	.	*				82.2	130.9	60.8	-66.9	0	0	0	0	112.7
1275	F	35.4	Very low	34.3	Very low	144 Å²	144	126.9 Å²	126.9	63%	0.632	70%	0.698	S	S	*	*				-174.5	122.7	128	-93.5	7.1	0	0	0	111.6	E1122 S1123 N1124	E1122-F1275 VanDerWaalsContact O-CD1 3.3Å; E1122-F1275 WeakPolarHBondContact O-CD1 3.34Å; S1123-F1275 VanDerWaalsContact C-CG 3.44Å; S1123-F1275 VanDerWaalsContact O-CB 3.27Å; S1123-F1275 WeakPolarHBondContact O-CB 2.86Å; S1123-F1275 WeakPolarHBondContact O-CD2 3.31Å; S1123-F1275 WeakPolarHBondContact O-CG 3.37Å; N1124-F1275 VanDerWaalsContact N-C 3.3Å
1276	N	36.5	Very low	34.7	Very low	68 Å²	68	124.8 Å²	124.8	36%	0.364	68%	0.682	S	S	.	*			trans	-82.5	-168.6	-158.3	-80.1	23.2	0	0	0	116.8	E1122 S1123 N1124	E1122-N1276 PolarHBondContact N-ND2 3.13Å; S1123-N1276 VanDerWaalsContact C-N 3.34Å; S1123-N1276 VanDerWaalsContact CA-N 3.34Å; N1124-N1276 WeakPolarHBondContact CA-O 3.22Å; N1124-N1276 PolarHBondContact N-O 3.33Å
1277	S	31.9	Very low	34.8	Very low	99 Å²	99	118 Å²	118	69%	0.692	67%	0.665	S	S	*	*			cis	-151.5	157.6	-8.3	-131.7	0	0	0	0	111.5
1278	S	30.9	Very low	35	Very low	104 Å²	104	118.5 Å²	118.5	73%	0.727	66%	0.658	S	S	*	*			trans	-165.1	179.6	157.9	59.7	0	0	0	0	111.1
1279	T	34.4	Very low	34.9	Very low	136 Å²	136	119.1 Å²	119.1	83%	0.834	66%	0.66	S	S	*	*			trans	89.5	171.1	160.3	-1.5	0	0	0	0	120
1280	Y	32.6	Very low	35.1	Very low	213 Å²	213	117.1 Å²	117.1	84%	0.835	65%	0.653	S	S	*	*			trans	-94.6	166	-160.6	-105.9	-109.7	0	0	0	113.9
1281	S	30.3	Very low	35	Very low	96 Å²	96	117.5 Å²	117.5	67%	0.671	66%	0.656	S	S	*	*			trans	73.9	117	142.9	-79.2	0	0	0	0	121.9
1282	T	32.8	Very low	35.1	Very low	109 Å²	109	115.1 Å²	115.1	67%	0.669	66%	0.656	S	S	*	*				86.9	105.7	128.8	-51.2	0	0	0	0	119.5
1283	E	35	Very low	34.9	Very low	174 Å²	174	120.3 Å²	120.3	81%	0.813	67%	0.667	S	S	*	*			trans	80.5	129.5	145	-74	166.8	-156	0	0	123
1284	C	31.3	Very low	35.3	Very low	102 Å²	102	118.6 Å²	118.6	69%	0.689	67%	0.669	S	S	*	*			trans	83.3	102.7	147.9	-68	0	0	0	0	123.2
1285	L	35.2	Very low	35.1	Very low	151 Å²	151	120 Å²	120	79%	0.791	68%	0.675	S	S	*	*				71.2	122.3	123.3	-64.3	177	0	0	0	119
1286	I	36.2	Very low	35.2	Very low	78 Å²	78	121.3 Å²	121.3	40%	0.4	68%	0.683	S	S	.	*			cis	-150.5	-134.6	2.2	-26.8	164.1	0	0	0	113.3	T1116 S1117	T1116-I1286 HydrophobicContact CG2-CB 4.36Å; T1116-I1286 HydrophobicContact CG2-CD1 4.25Å; T1116-I1286 HydrophobicContact CG2-CG2 3.54Å; S1117-I1286 CarbonylContact O-C 2.9Å; S1117-I1286 VanDerWaalsContact O-CA 3.29Å; S1117-I1286 WeakPolarHBondContact O-CA 3.45Å; S1117-I1286 WeakPolarHBondContact O-CB 3.4Å; S1117-I1286 PolarHBondContact O-N 2.72Å
1287	S	36	Very low	35.1	Very low	65 Å²	65	122.8 Å²	122.8	46%	0.455	69%	0.691	S	S	.	*			trans	-152.4	168.1	-177.9	-46.1	0	0	0	0	113.9	T1116 S1117 E1118	T1116-S1287 CarbonylContact C-O 3.57Å; T1116-S1287 VanDerWaalsContact C-O 3.26Å; T1116-S1287 WeakPolarHBondContact CB-O 3.42Å; T1116-S1287 PolarHBondContact OG1-O 2.95Å; S1117-S1287 VanDerWaalsContact CA-O 3.27Å; S1117-S1287 WeakPolarHBondContact CA-O 3.17Å; S1117-S1287 PolarHBondContact N-O 3.37Å; S1117-S1287 PolarHBondContact O-N 2.95Å; E1118-S1287 WeakPolarHBondContact OE1-CA 2.96Å; E1118-S1287 VanDerWaalsContact OE1-CB 3.27Å; E1118-S1287 WeakPolarHBondContact OE1-CB 3.44Å
1288	Q	40.4	Very low	35.1	Very low	87 Å²	87	126.2 Å²	126.2	41%	0.407	70%	0.696	S	S	.	*			trans	119.9	137.7	175.4	-75.1	-170.8	29.9	0	0	115.3	T1116 E1118	T1116-Q1288 VanDerWaalsContact OG1-CD 3.25Å; T1116-Q1288 WeakPolarHBondContact OG1-CG 3.47Å; T1116-Q1288 PolarHBondContact OG1-NE2 3.49Å; T1116-Q1288 VanDerWaalsContact OG1-NE2 3.09Å; E1118-Q1288 PolarHBondContact OE1-N 2.66Å
1289	P	39.4	Very low	35	Very low	113 Å²	113	125.4 Å²	125.4	73%	0.734	69%	0.69	S	S	*	*				-145.2	176.3	60.9	41.2	-22.7	0	0	0	117.4
1290	V	36.7	Very low	34.7	Very low	115 Å²	115	126 Å²	126	70%	0.697	69%	0.688	S	S	*	*			cis	-172.9	165.9	-23	141.5	0	0	0	0	108.2
1291	S	34.2	Very low	34.6	Very low	106 Å²	106	122.1 Å²	122.1	74%	0.741	68%	0.68	S	S	*	*			trans	88.5	148.8	162.4	-123.7	0	0	0	0	118
1292	V	38.8	Very low	34.5	Very low	133 Å²	133	125.1 Å²	125.1	81%	0.806	68%	0.683	S	S	*	*			cis	-139.6	153.6	19.5	-169.5	0	0	0	0	112.9
1293	Y	32.7	Very low	34.2	Very low	201 Å²	201	125.4 Å²	125.4	79%	0.788	69%	0.685	S	S	*	*			trans	-97.2	163.5	178.1	-93.7	-82.2	0	0	0	114.4	T1295	Y1293-T1295 HydrophobicContact CD1-CG2 3.75Å; Y1293-T1295 HydrophobicContact CE1-CG2 4.42Å; Y1293-T1295 HydrophobicContact CG-CG2 4.12Å
1294	P	44.2	Very low	34.1	Very low	119 Å²	119	123.1 Å²	123.1	77%	0.773	68%	0.683	S	S	*	*				-143.5	154.6	90.5	36.8	-20.5	0	0	0	114.4
1295	T	33.1	Very low	34.2	Very low	107 Å²	107	124.8 Å²	124.8	66%	0.656	68%	0.684	S	S	*	*			cis	87.3	95.1	21.8	71.7	0	0	0	0	118.6	Y1293	Y1293-T1295 HydrophobicContact CD1-CG2 3.75Å; Y1293-T1295 HydrophobicContact CE1-CG2 4.42Å; Y1293-T1295 HydrophobicContact CG-CG2 4.12Å
1296	H	37.2	Very low	34.2	Very low	172 Å²	172	122.8 Å²	122.8	80%	0.796	68%	0.68	S	S	*	*			trans	-161.9	108.2	144.4	-138.5	-114.5	0	0	0	109.3
1297	N	34	Very low	33.9	Very low	99 Å²	99	122.9 Å²	122.9	53%	0.529	69%	0.687	S	S	.	*				69	115.5	98.9	-78.9	-25.5	0	0	0	114.7
1298	Q	31.5	Very low	33.6	Very low	170 Å²	170	126.8 Å²	126.8	79%	0.794	70%	0.702	S	S	*	*				74.1	141.2	95.7	-75.4	-173.1	68.5	0	0	113.6
1299	S	28.7	Very low	33.2	Very low	87 Å²	87	128.5 Å²	128.5	61%	0.608	72%	0.719	S	S	*	*			cis	-171.7	160.3	7.4	45.5	0	0	0	0	112.4
1300	L	29.1	Very low	33	Very low	150 Å²	150	129 Å²	129	79%	0.785	72%	0.72	S	S	*	*			trans	65.6	151.5	144.6	-98.4	73.4	0	0	0	121.5
1301	I	29.7	Very low	33	Very low	130 Å²	130	129 Å²	129	67%	0.667	72%	0.722	S	S	*	*			trans	73.5	96.8	147.7	-70	171.3	0	0	0	119.2
1302	Q	28.5	Very low	33.2	Very low	160 Å²	160	128.8 Å²	128.8	75%	0.748	72%	0.718	S	S	*	*				66.1	129.9	106.2	-138.5	-168.3	-20.4	0	0	121.2
1303	T	26.8	Very low	32.8	Very low	114 Å²	114	129.2 Å²	129.2	70%	0.699	72%	0.715	S	S	*	*			trans	84.8	150	144.5	3.4	0	0	0	0	121.8
1304	V	32.7	Very low	32.8	Very low	127 Å²	127	126.5 Å²	126.5	77%	0.77	71%	0.714	S	S	*	*			trans	72	111.3	163	-131.4	0	0	0	0	120.2
1305	L	32.5	Very low	32.2	Very low	137 Å²	137	124.8 Å²	124.8	72%	0.717	71%	0.709	S	S	*	*				-13	151.7	128.9	-75.6	141.3	0	0	0	116.2
1306	P	35.7	Very low	32	Very low	109 Å²	109	124.6 Å²	124.6	71%	0.708	71%	0.713	S	S	*	*			cis	-123.5	162.3	44.7	39.8	-26.4	0	0	0	113.6	L1308	P1306-L1308 HydrophobicContact CB-CD1 4.45Å
1307	S	29.3	Very low	31.7	Very low	79 Å²	79	121.2 Å²	121.2	55%	0.552	71%	0.709	S	S	*	*			cis	68.9	158.1	35.4	80.8	0	0	0	0	115.4
1308	L	30.4	Very low	31.4	Very low	148 Å²	148	122.2 Å²	122.2	78%	0.775	72%	0.718	S	S	*	*			trans	69.3	137.9	-172.1	-63.1	101	0	0	0	117.4	P1306	P1306-L1308 HydrophobicContact CB-CD1 4.45Å
1309	T	31.4	Very low	31.4	Very low	122 Å²	122	120 Å²	120	75%	0.748	72%	0.716	S	S	*	*			cis	-166	161.2	-33.3	25.1	0	0	0	0	109.1
1310	T	35.1	Very low	31.5	Very low	123 Å²	123	120.7 Å²	120.7	76%	0.755	72%	0.721	S	S	*	*			trans	-63.3	-171.2	153	46	0	0	0	0	110.4
1311	P	36.8	Very low	31.6	Very low	116 Å²	116	119.7 Å²	119.7	75%	0.753	72%	0.717	S	S	*	*			cis	-133.4	-127.8	7.9	34	-6.8	0	0	0	112.4
1312	P	39.3	Very low	31.8	Very low	101 Å²	101	120.6 Å²	120.6	66%	0.656	72%	0.722	S	S	*	*				-129.3	-163.4	-85.8	34.5	-14.8	0	0	0	115.1
1313	L	31.3	Very low	32.1	Very low	142 Å²	142	117.3 Å²	117.3	74%	0.743	72%	0.716	S	S	*	*			trans	89.5	135	145	-75.4	170.7	0	0	0	121.1
1314	L	31.3	Very low	32.8	Very low	145 Å²	145	117.9 Å²	117.9	76%	0.759	72%	0.72	S	S	*	*			trans	71.4	96.8	139	-67.3	166.8	0	0	0	121.6
1315	A	31.1	Very low	33.2	Very low	82 Å²	82	116.9 Å²	116.9	68%	0.678	72%	0.716	S	S	*	*				88.7	167.7	104.5	0	0	0	0	0	121
1316	S	30.3	Very low	33.4	Very low	104 Å²	104	115 Å²	115	73%	0.727	71%	0.714	S	S	*	*			trans	65.7	73.4	157.7	-59.5	0	0	0	0	119.3
1317	S	29.5	Very low	33.3	Very low	101 Å²	101	120.9 Å²	120.9	71%	0.706	72%	0.722	S	S	*	*				54.8	170.4	101.6	75.2	0	0	0	0	122
1318	T	29.5	Very low	33.6	Very low	119 Å²	119	121.4 Å²	121.4	73%	0.73	73%	0.726	S	S	*	*			trans	86.3	100.3	160.7	58.1	0	0	0	0	121.8
1319	V	30.6	Very low	33.8	Very low	123 Å²	123	118.2 Å²	118.2	75%	0.745	72%	0.721	S	S	*	*				69.5	155.2	122.6	-175.8	0	0	0	0	118.2
1320	S	31.6	Very low	33.9	Very low	103 Å²	103	121.8 Å²	121.8	72%	0.72	72%	0.722	S	S	*	*			trans	88.8	145.2	166.6	-48.7	0	0	0	0	116.9
1321	N	31.1	Very low	33.8	Very low	129 Å²	129	123.4 Å²	123.4	69%	0.69	72%	0.719	S	S	*	*			cis	-174.9	144.6	-35.3	-115.6	-39.2	0	0	0	107.9
1322	L	33.6	Very low	33.6	Very low	148 Å²	148	125.7 Å²	125.7	78%	0.775	72%	0.719	S	S	*	*			trans	60.9	168.9	164.5	-86.4	53.7	0	0	0	114.3
1323	S	33.8	Very low	33.3	Very low	91 Å²	91	125.4 Å²	125.4	64%	0.636	72%	0.718	S	S	*	*			cis	-143.3	137.8	-7.5	-111.5	0	0	0	0	106.8
1324	V	41.7	Very low	33.2	Very low	127 Å²	127	122.4 Å²	122.4	77%	0.77	71%	0.709	S	S	*	*				64.5	132.3	75.5	172.2	0	0	0	0	111.7
1325	P	41.3	Very low	33.2	Very low	106 Å²	106	121.1 Å²	121.1	69%	0.688	70%	0.698	S	S	*	*			cis	-137.9	156.9	18.3	40.6	-22.3	0	0	0	119.4
1326	S	36.4	Very low	33.3	Very low	97 Å²	97	122.5 Å²	122.5	68%	0.678	70%	0.698	S	S	*	*				74.8	125	127.9	69.7	0	0	0	0	124.8
1327	R	34.3	Very low	33.3	Very low	232 Å²	232	122.1 Å²	122.1	88%	0.875	68%	0.683	S	S	*	*				74.9	136.4	127.3	-77.7	177.7	164.9	-122.6	-0.2	120
1328	S	35.6	Very low	33.7	Very low	90 Å²	90	122.7 Å²	122.7	63%	0.629	68%	0.682	S	S	*	*			cis	-171.4	126.6	-20.8	38.1	0	0	0	0	110.1
1329	A	34.4	Very low	34	Very low	81 Å²	81	122.5 Å²	122.5	67%	0.669	68%	0.683	S	S	*	*				44.8	155	123.5	0	0	0	0	0	120.4
1330	Y	34.1	Very low	33.9	Very low	198 Å²	198	121.4 Å²	121.4	78%	0.776	68%	0.681	S	S	*	*			cis	-141.5	135.2	27.2	-112	-96.8	0	0	0	112.5
1331	F	32.1	Very low	33.8	Very low	157 Å²	157	122.8 Å²	122.8	69%	0.689	69%	0.685	S	S	*	*			trans	57.2	131.6	139.4	-78.8	-123.9	0	0	0	120.6
1332	Q	32.3	Very low	33.8	Very low	163 Å²	163	121.7 Å²	121.7	76%	0.762	68%	0.683	S	S	*	*				87.1	151.7	56.6	-97.1	-147	-12	0	0	114.5
1333	P	32.8	Very low	33.5	Very low	96 Å²	96	120 Å²	120	62%	0.623	68%	0.679	S	S	*	*				-140.2	-153.5	-118.1	38.4	-15	0	0	0	114.6
1334	S	30.1	Very low	33.3	Very low	79 Å²	79	122.4 Å²	122.4	55%	0.552	68%	0.68	S	S	*	*			trans	73.6	129.9	137.7	63.1	0	0	0	0	122.5
1335	H	31.5	Very low	32.9	Very low	118 Å²	118	123.1 Å²	123.1	55%	0.546	68%	0.679	S	S	.	*			trans	64.7	167.6	140.2	-59	-41.3	0	0	0	117.9	L989	L989-H1335 PolarHBondContact O-ND1 3.36Å
1336	V	32	Very low	32.3	Very low	110 Å²	110	122.3 Å²	122.3	67%	0.667	67%	0.672	S	S	*	*			cis	-139.5	156.8	5.2	86.8	0	0	0	0	112.5	G990 Q991	G990-V1336 CarbonylContact O-C 3.6Å; G990-V1336 WeakPolarHBondContact O-CA 3.47Å; G990-V1336 WeakPolarHBondContact O-CG2 3.33Å; Q991-V1336 VanDerWaalsContact N-CG2 3.33Å
1337	K	32.1	Very low	32	Very low	96 Å²	96	122.8 Å²	122.8	42%	0.417	68%	0.676	S	S	.	*			trans	-77.2	169.8	-169.1	-59.9	158	-176.4	161.3	0	117.8	G990	G990-K1337 VanDerWaalsContact C-CD 3.46Å; G990-K1337 VanDerWaalsContact C-CG 3.41Å; G990-K1337 VanDerWaalsContact CA-CE 3.46Å; G990-K1337 VanDerWaalsContact O-CG 3.25Å; G990-K1337 WeakPolarHBondContact O-CG 3.31Å; G990-K1337 PolarHBondContact O-N 3.17Å
1338	V	36.2	Very low	31.8	Very low	114 Å²	114	115.8 Å²	115.8	69%	0.691	65%	0.65	S	S	*	*			trans	63	162.5	130.7	155.7	0	0	0	0	119.5
1339	P	36.1	Very low	31.6	Very low	114 Å²	114	112.3 Å²	112.3	74%	0.74	63%	0.625	S	S	*	*			cis	-107.1	-143.6	-5.8	43.8	-33.8	0	0	0	112.2
1340	S	29.5	Very low	31.4	Very low	101 Å²	101	110.2 Å²	110.2	71%	0.706	60%	0.604	S	S	*	*			cis	-163.7	161.7	-3.5	40.7	0	0	0	0	109.4
1341	T	28.8	Very low	31.4	Very low	131 Å²	131	106.1 Å²	106.1	80%	0.804	60%	0.6	S	S	*	*			cis	-125.3	-92.2	-40.2	-57.4	0	0	0	0	109.6
1342	T	30.2	Very low	31.5	Very low	107 Å²	107	100.7 Å²	100.7	66%	0.656	58%	0.577	S	S	*	*			cis	-163	141.9	-11.8	-44.7	0	0	0	0	110
1343	T	27.7	Very low	31.8	Very low	111 Å²	111	98.5 Å²	98.5	68%	0.681	56%	0.562	S	S	*	*			trans	55.7	136.4	166.4	39.9	0	0	0	0	122.7
1344	H	31	Very low	32	Very low	143 Å²	143	94.8 Å²	94.8	66%	0.662	54%	0.538	S	S	*	.			trans	22.1	98.7	133.6	-96.6	-107.7	0	0	0	119.1
1345	N	31.7	Very low	32.2	Very low	141 Å²	141	91.2 Å²	91.2	75%	0.754	51%	0.513	S	S	*	.				-174.1	127.2	117.3	-94.5	-63.8	0	0	0	106.4
1346	V	29.7	Very low	32.7	Very low	89 Å²	89	86 Å²	86	54%	0.539	49%	0.49	S	S	.	.				45.4	63.6	71.9	-166.8	0	0	0	0	111.4	Y1348	V1346-Y1348 HydrophobicContact CG1-CD2 4.13Å; V1346-Y1348 HydrophobicContact CG1-CE2 3.93Å
1347	S	30.4	Very low	32.7	Very low	108 Å²	108	84.9 Å²	84.9	76%	0.755	48%	0.481	S	S	*	.			trans	-168.1	131.6	143.2	-87.6	0	0	0	0	113.1
1348	Y	29	Very low	32.8	Very low	85 Å²	85	84.3 Å²	84.3	33%	0.333	48%	0.484	S	S	.	.			cis	-170.8	132.4	-14.9	-127.7	-147.8	0	0	0	105	T64 S65 V1346	T64-Y1348 VanDerWaalsContact C-CZ 3.44Å; T64-Y1348 HydrophobicContact CG2-CE2 4.44Å; T64-Y1348 CarbonylContact O-C 2.81Å; T64-Y1348 WeakPolarHBondContact O-CA 3.35Å; T64-Y1348 WeakPolarHBondContact O-CB 3.5Å; T64-Y1348 VanDerWaalsContact O-CD1 3.26Å; T64-Y1348 WeakPolarHBondContact O-CD1 3.25Å; T64-Y1348 WeakPolarHBondContact O-CD2 3.31Å; T64-Y1348 WeakPolarHBondContact O-CE2 3.19Å; S65-Y1348 VanDerWaalsContact CA-CE1 3.43Å; V1346-Y1348 HydrophobicContact CG1-CD2 4.13Å; V1346-Y1348 HydrophobicContact CG1-CE2 3.93Å
1349	V	32	Very low	32.6	Very low	17 Å²	17	82.6 Å²	82.6	10%	0.103	47%	0.473	C	S	.	.			trans	20.2	106.2	163	150.1	0	0	0	0	116.4	T64 S65	T64-V1349 WeakPolarHBondContact O-CB 3.37Å; T64-V1349 WeakPolarHBondContact O-CG2 3.21Å; T64-V1349 PolarHBondContact O-N 3.36Å; T64-V1349 PolarHBondContact OG1-N 3.36Å; S65-V1349 VanDerWaalsContact CB-CB 3.5Å; S65-V1349 VanDerWaalsContact OG-CB 3.25Å; S65-V1349 WeakPolarHBondContact OG-CB 3.45Å; S65-V1349 WeakPolarHBondContact OG-CG1 2.88Å
1350	T	29.8	Very low	32.4	Very low	36 Å²	36	80.8 Å²	80.8	22%	0.221	46%	0.457	C	S	.	.			trans	64.9	-145.3	136.9	81.6	0	0	0	0	110.8	E61 E1352	E61-T1350 HydrophobicContact CB-CG2 3.46Å; E61-T1350 VanDerWaalsContact CB-CG2 3.46Å; E61-T1350 HydrophobicContact CG-CG2 3.7Å; E61-T1350 WeakPolarHBondContact O-CG2 3.43Å; E61-T1350 WeakPolarHBondContact OE2-CA 3.44Å; E61-T1350 VanDerWaalsContact OE2-CG2 3.28Å; E61-T1350 WeakPolarHBondContact OE2-CG2 3.34Å; T1350-E1352 HydrophobicContact CG2-CB 4.01Å; T1350-E1352 VanDerWaalsContact CG2-CD 3.44Å; T1350-E1352 HydrophobicContact CG2-CG 3.53Å; T1350-E1352 WeakPolarHBondContact CG2-OE2 3.32Å
1351	T	35	Very low	32.5	Very low	112 Å²	112	79.5 Å²	79.5	69%	0.687	44%	0.441	S	S	*	.			cis	-84.6	99.9	-14.4	-44.6	0	0	0	0	106.6	Y1353	T1351-Y1353 HydrophobicContact CG2-CD2 3.56Å; T1351-Y1353 HydrophobicContact CG2-CE2 3.98Å; T1351-Y1353 HydrophobicContact CG2-CG 4.47Å
1352	E	34.3	Very low	32.8	Very low	44 Å²	44	76.1 Å²	76.1	21%	0.206	42%	0.417	C	S	.	.				48.8	157.7	84.6	-102.5	178.1	156.5	0	0	110.8	N59 R62 T1350	N59-E1352 PolarHBondContact ND2-OE1 3.08Å; R62-E1352 IonicContact NE-OE1 2.63Å; R62-E1352 IonicContact NH2-OE1 2.92Å; R62-E1352 PolarHBondContact NH2-OE1 2.64Å; T1350-E1352 HydrophobicContact CG2-CB 4.01Å; T1350-E1352 VanDerWaalsContact CG2-CD 3.44Å; T1350-E1352 HydrophobicContact CG2-CG 3.53Å; T1350-E1352 WeakPolarHBondContact CG2-OE2 3.32Å
1353	Y	38.2	Very low	33	Very low	116 Å²	116	73.9 Å²	73.9	46%	0.455	40%	0.4	S	S	.	.			trans	71.3	156	161.2	-50.3	-37.5	0	0	0	114.7	T1351 T1355	T1351-Y1353 HydrophobicContact CG2-CD2 3.56Å; T1351-Y1353 HydrophobicContact CG2-CE2 3.98Å; T1351-Y1353 HydrophobicContact CG2-CG 4.47Å; Y1353-T1355 HydrophobicContact CD1-CG2 3.14Å; Y1353-T1355 HydrophobicContact CE1-CG2 3.82Å; Y1353-T1355 HydrophobicContact CG-CG2 3.6Å
1354	S	37.5	Very low	33.4	Very low	18 Å²	18	71 Å²	71	13%	0.126	38%	0.378	C	S	.	.			cis	-117.9	147.6	5.9	-99.3	0	0	0	0	111.3	F839 A840 E877	F839-S1354 VanDerWaalsContact CE1-O 3.25Å; F839-S1354 WeakPolarHBondContact CE1-O 3.21Å; A840-S1354 PolarHBondContact N-OG 3.21Å; E877-S1354 WeakPolarHBondContact OE1-CB 3.48Å; E877-S1354 PolarHBondContact OE1-OG 3.04Å; E877-S1354 WeakPolarHBondContact OE2-CB 3.18Å; E877-S1354 PolarHBondContact OE2-OG 3.35Å
1355	T	34.4	Very low	33.6	Very low	4 Å²	4	65 Å²	65	3%	0.025	36%	0.355	C	S	.	.			cis	159.5	135.4	-14.7	14.9	0	0	0	0	100.4	H837 W838 F839 A840 W841 Y1353	H837-T1355 CarbonylContact C-O 3.52Å; H837-T1355 VanDerWaalsContact CA-C 3.42Å; H837-T1355 VanDerWaalsContact CA-O 3.32Å; H837-T1355 WeakPolarHBondContact CA-O 3.29Å; H837-T1355 VanDerWaalsContact CB-C 3.48Å; H837-T1355 WeakPolarHBondContact CB-O 3.49Å; H837-T1355 VanDerWaalsContact CD2-CA 3.44Å; H837-T1355 WeakPolarHBondContact CD2-CA 3.11Å; H837-T1355 PolarHBondContact CD2-N 3.36Å; H837-T1355 WeakPolarHBondContact NE2-CA 3.02Å; W838-T1355 CarbonylContact C-O 3.57Å; W838-T1355 WeakPolarHBondContact CA-O 3.35Å; W838-T1355 PolarHBondContact N-O 3.38Å; W838-T1355 CarbonylContact O-C 3.59Å; W838-T1355 PolarHBondContact O-OG1 3.09Å; W838-T1355 VanDerWaalsContact O-OG1 3.11Å; F839-T1355 WeakPolarHBondContact CA-OG1 3.38Å; F839-T1355 PolarHBondContact N-O 3.15Å; A840-T1355 PolarHBondContact N-OG1 3.43Å; W841-T1355 PolarHBondContact N-OG1 2.67Å; Y1353-T1355 HydrophobicContact CD1-CG2 3.14Å; Y1353-T1355 HydrophobicContact CE1-CG2 3.82Å; Y1353-T1355 HydrophobicContact CG-CG2 3.6Å
1356	L	40.8	Very low	33.7	Very low	10 Å²	10	58.1 Å²	58.1	5%	0.052	32%	0.318	C	S	.	.			trans	-141.6	0	131.2	-111.2	102.7	0	0	0	91.6	A790 L836 H837 W838 W841 H842 Q843 V844 S845	A790-L1356 HydrophobicContact CB-CD1 3.9Å; L836-L1356 HydrophobicContact CB-CD1 3.23Å; L836-L1356 HydrophobicContact CB-CD2 4.1Å; L836-L1356 HydrophobicContact CB-CG 4.25Å; L836-L1356 HydrophobicContact CD1-CD1 4.25Å; L836-L1356 HydrophobicContact CG-CD1 4.4Å; L836-L1356 WeakPolarHBondContact O-CB 3.36Å; H837-L1356 VanDerWaalsContact C-CB 3.43Å; H837-L1356 VanDerWaalsContact C-N 3.29Å; H837-L1356 VanDerWaalsContact CA-CA 3.47Å; H837-L1356 HydrophobicContact CB-CB 4.4Å; H837-L1356 PolarHBondContact CE1-N 2.81Å; H837-L1356 PolarHBondContact CE1-O 3.03Å; H837-L1356 VanDerWaalsContact CE1-O 3.31Å; H837-L1356 PolarHBondContact ND1-N 3.34Å; H837-L1356 PolarHBondContact ND1-O 3.11Å; W838-L1356 VanDerWaalsContact CA-CD1 3.49Å; W838-L1356 HydrophobicContact CB-CB 4.19Å; W838-L1356 HydrophobicContact CB-CD1 3.67Å; W838-L1356 HydrophobicContact CB-CG 3.56Å; W838-L1356 HydrophobicContact CD2-CD1 3.18Å; W838-L1356 HydrophobicContact CD2-CD2 4.26Å; W838-L1356 HydrophobicContact CD2-CG 3.71Å; W838-L1356 HydrophobicContact CE3-CD1 3.63Å; W838-L1356 HydrophobicContact CG-CB 4.36Å; W838-L1356 HydrophobicContact CG-CD1 3.29Å; W838-L1356 HydrophobicContact CG-CD2 4.12Å; W838-L1356 HydrophobicContact CG-CG 3.27Å; W838-L1356 HydrophobicContact CH2-CD1 4.25Å; W838-L1356 HydrophobicContact CZ2-CD1 3.85Å; W838-L1356 HydrophobicContact CZ2-CD2 4.18Å; W838-L1356 HydrophobicContact CZ2-CG 4.49Å; W838-L1356 HydrophobicContact CZ3-CD1 4.16Å; W838-L1356 VanDerWaalsContact N-N 3.12Å; W841-L1356 VanDerWaalsContact O-CA 3.22Å; W841-L1356 WeakPolarHBondContact O-CA 3.16Å; H842-L1356 VanDerWaalsContact CA-OXT 3.23Å; H842-L1356 WeakPolarHBondContact CA-OXT 3.41Å; Q843-L1356 WeakPolarHBondContact CA-OXT 3.43Å; Q843-L1356 PolarHBondContact N-OXT 2.8Å; Q843-L1356 VanDerWaalsContact O-CB 3.28Å; Q843-L1356 WeakPolarHBondContact O-CB 3.22Å; Q843-L1356 VanDerWaalsContact O-CD2 3.23Å; Q843-L1356 WeakPolarHBondContact O-CD2 3.44Å; Q843-L1356 WeakPolarHBondContact O-CG 3.22Å; V844-L1356 WeakPolarHBondContact CA-O 3.44Å; V844-L1356 WeakPolarHBondContact CG1-O 3.3Å; V844-L1356 PolarHBondContact N-O 3.31Å; S845-L1356 WeakPolarHBondContact OG-CD2 3.5Å

Retrieved 1,356 of 1,356 residues in 474.3 ms (Link to these results)

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