A0A5K4F371_SCHMA Loading...

PDZ domain-containing protein

AlphaFold DB (A0A5K4F1Q2), UniProt , Accession A0A5K4F371, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,919 aa.

						>A0A5K4F371_SCHMA|A0A5K4F371
MVRPRSSIGPSDRTSKERPVSSGPDMFGLFKRGSVKDVNHPECLKEEDSPMDGSSRDTTTANNKNSSNGSNSSSNSSSKSLSRMSFPGHSKSNGTSNKKTTGNLKDQSTFSSSTPPLGHVMGRNFDDEGESDLSNANDLAHLSSEFDSATSVLNSPAKCAMFIDYLFSHKRDPTWTLFHIVNQYFQRSMASSKELFKDEKRVCLEIFTTFLHEKSPLRLDVRTPIALKSFDFNECSKLFNFIDQQCLNQIELQVSKLAEAINLGMDTWCLSEPIDFVLFRNKEEELACFESRLSSYLDALHQLSTGSCIDNPIALSICRLPNTSGSVTYDQITQAITTCLVTAHRYYSMSQISSADYPETRDSGHSIRHSLFARSFENLTTSALGLGSVSGSIGSGLSSAGSHLWTKLTPYCAKSKQKSHSLLNRKSKWSHKGHSFYEYTYERIADCGVCGFLLWGLSSQGFNCNNCDLFIHLKCKNGIRDHCSREGRRTTGVASANVLSGILGSIPNLTMDTHVPGNAPNQTNESCNKVPLNSNQIGSNDLIHHCCTTHRRCGSDTRHKQKKANTLKDFHLLPSFLHRNNNANSVDNPHDVVASLDETINSSCQDSSGLNETSSISGSGGGDTSINFPSPGLSKRDSISSMSVGSTCQTPVDSYLQSGIGQTDKIKSNGEEFGIMGNDSLKIAPNHSTVLFSSEDIKVPLDSKSSLRHRLSITIKQGYVKQMKNLYEGSEIIQETIPTSRSDSVVSNISLNLPASSNTTGPCDRPVETTSPPASSSLSSPVSNINETVRELVTTDWSDDPEMIAGASFEAAVELRAQFPNFQMPSKGQKSEEYIRTLVLLEFHQKTQYMVRHLKQYEYLLLRRWPVEHAKLSKILCLDQIPILINLFRSLVTCIDQTKTEQGYRGMAEAVLAWLTDNSSANLKTWARHCQALSCSNMLESVRHSVRDYVRRHPDIVPLLQTRHNKFVLIEGLKQMRILYFNLPLIANNIAKDLEKRTKMYKAEAKIWQQIQLKLASLPQTIDNVCMPLVKRINLGQLCTSLDKKDILSKPLPDLLLPFQHLLLNFPRVLFHHWVVAHAEVTVDKLTANRSNKVNHDYICERTEMLAILLHNALILMVKDGERYILRSFKAVREQGGCSGSSGISSTSASNSSTVERLSSFGSPGTTSEKDRPNSGNISGYSSISSCSSLISLPGSNTQSHTSLVSAAASAAVASMTDRSSTSLGSSKLVPIFPLIDVFTSCGEKFGGDHLLNIVFMKQTVLIRLLFSKEDERQNWSAYIQENSVTTQSIDRQRVLKPSASAAAASSSPSSSTQNRPTIGITSESLISKTSGNTPTADEVSVITPQPSTQDLKTSFGKLPTTSSTTTKNDKTTYPSDINSFDLISSGEESTVFVDKLQTAMNELLGQTRQIICEKYNISKEELANAMNESDDVDDILNPGKILLFQIKYFAKCYNLITRTLAPQPSTSFLNQIQDHLESINDKDHQELEILMRQKKRQSSLSWTEGYLESLSRNPVLNVGRNRVIGSTESERSRFNVIDALPDDSKAIQSSPNLVGSDSERSRIEIQDKRKSKRRSRKSEAGPVSNLDFTFFDNLLNKELITMAPVFAKSVMCLCKLTHQDLSPNNLLKESSNSRKSLSRPSIQIDSQIHWTKAGDIECPVSGSTEEVEDEEVRTLANSIIDLSCSQTTDTLRLDTLSTEQSDAIHSGFDLSADNSDQDLDSVAAQLVSDVLENAKNYFSNHITKSNDAEQKTVNVIRDSGCAPSATDEDEDYYYEEEIDDDVDDDHVNNDETVEEISENHIDILTSSGTISTSDTSTPKFVGVASIFDDASLDQSNQLDKTSSIHDDLLIDNDVIDVVAPCPAIFMSGITTSIDPPTIITTTTTNIITNNNTTITTNIGRNDSQKSTTSSGYVDSSDD
					

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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	26.7	Very low	28.5	Very low	146 Å²	146	82.9 Å²	82.9	72%	0.719	49%	0.486	S	S	*	.				0	0	0	-92.3	-175.5	125.7	0	0	109.3	D266	M1-D266 HydrophobicContact CB-CB 3.69Å; M1-D266 HydrophobicContact CG-CB 3.55Å
2	V	23.4	Very low	28.8	Very low	28 Å²	28	86.8 Å²	86.8	17%	0.17	50%	0.503	C	S	.	.				0	0	0	-179.8	0	0	0	0	110.1	N135 L139 W268	V2-N135 HydrophobicContact CG1-CB 4.15Å; V2-L139 HydrophobicContact CB-CD1 3.23Å; V2-L139 HydrophobicContact CB-CD2 2.87Å; V2-L139 HydrophobicContact CB-CG 3.1Å; V2-L139 HydrophobicContact CG1-CB 4.35Å; V2-L139 HydrophobicContact CG1-CD1 3.05Å; V2-L139 HydrophobicContact CG1-CD2 3.43Å; V2-L139 VanDerWaalsContact CG1-CD2 3.43Å; V2-L139 HydrophobicContact CG1-CG 2.93Å; V2-L139 HydrophobicContact CG2-CB 3.78Å; V2-L139 HydrophobicContact CG2-CD1 3.1Å; V2-L139 CovalentContact CG2-CD2 1.54Å; V2-L139 HydrophobicContact CG2-CD2 1.54Å; V2-L139 HydrophobicContact CG2-CG 2.41Å; V2-W268 HydrophobicContact CG2-CH2 4.27Å; V2-W268 HydrophobicContact CG2-CZ2 3.93Å
3	R	22.5	Very low	29	Very low	108 Å²	108	96.2 Å²	96.2	41%	0.408	53%	0.525	S	S	.	.				0	126.1	0	-98.5	-176.6	-173.2	-161	-3.5	109.6	D132 N135 E1429	R3-D132 IonicContact CZ-OD1 3.69Å; R3-D132 IonicContact NH1-OD1 3.91Å; R3-D132 PolarHBondContact NH1-OD1 3.11Å; R3-D132 VanDerWaalsContact NH2-CA 3.26Å; R3-D132 PolarHBondContact NH2-O 1.94Å; R3-D132 IonicContact NH2-OD1 3.83Å; R3-N135 WeakPolarHBondContact CD-ND2 2.49Å; R3-N135 HydrophobicContact CG-CB 3.41Å; R3-N135 VanDerWaalsContact CG-CB 3.41Å; R3-N135 WeakPolarHBondContact CG-ND2 2.52Å; R3-N135 WeakPolarHBondContact CG-OD1 2.44Å; R3-N135 PolarHBondContact NE-ND2 2.7Å; R3-N135 PolarHBondContact NE-OD1 3.09Å; R3-N135 PolarHBondContact NH1-ND2 0.42Å; R3-N135 PolarHBondContact NH2-ND2 3.22Å; R3-E1429 HydrophobicContact CB-CG 4.22Å
4	P	22.8	Very low	29.1	Very low	60 Å²	60	97.6 Å²	97.6	39%	0.39	54%	0.538	S	S	.	.			trans	-41.7	0	137.1	24	-0.4	0	0	0	111.9	E1429	P4-E1429 CovalentContact C-CB 0.57Å; P4-E1429 CarbonylContact C-O 3.38Å; P4-E1429 VanDerWaalsContact C-O 3.26Å; P4-E1429 VanDerWaalsContact CA-CA 3.43Å; P4-E1429 WeakPolarHBondContact CA-OE1 1.57Å; P4-E1429 WeakPolarHBondContact CA-OE2 3.47Å; P4-E1429 HydrophobicContact CB-CB 2.85Å; P4-E1429 HydrophobicContact CB-CG 3.03Å; P4-E1429 WeakPolarHBondContact CB-OE1 3.22Å; P4-E1429 CovalentContact CB-OE2 1.15Å; P4-E1429 WeakPolarHBondContact CB-OE2 3.23Å; P4-E1429 CovalentContact CD-CD 1.7Å; P4-E1429 WeakPolarHBondContact CD-OE1 2.68Å; P4-E1429 WeakPolarHBondContact CD-OE2 3.37Å; P4-E1429 HydrophobicContact CG-CB 3.7Å; P4-E1429 HydrophobicContact CG-CG 3.2Å; P4-E1429 WeakPolarHBondContact CG-OE1 3.05Å; P4-E1429 CovalentContact CG-OE2 1.01Å; P4-E1429 WeakPolarHBondContact CG-OE2 3.46Å; P4-E1429 CarbonylContact O-C 3.39Å; P4-E1429 WeakPolarHBondContact O-CA 2.8Å; P4-E1429 WeakPolarHBondContact O-CB 3.46Å; P4-E1429 CovalentContact O-CG 0.73Å; P4-E1429 WeakPolarHBondContact O-CG 3.29Å; P4-E1429 PolarHBondContact O-N 2.96Å
5	R	24.2	Very low	29.2	Very low	73 Å²	73	97.5 Å²	97.5	28%	0.275	55%	0.547	S	S	.	.	B	Isolated β-bridge		0	0	0	-95.8	-175.4	-179.1	-155.1	0	110.2	N1425 N1428 E1429 S1430	R5-N1425 CovalentContact CZ-O 1.79Å; R5-N1425 PolarHBondContact NE-O 3.34Å; R5-N1425 PolarHBondContact NH1-O 3.46Å; R5-N1425 PolarHBondContact NH2-O 3.45Å; R5-N1428 CarbonylContact C-O 3.59Å; R5-N1428 VanDerWaalsContact CA-CA 3.46Å; R5-N1428 WeakPolarHBondContact CA-O 2.78Å; R5-N1428 CovalentContact CB-C 1.47Å; R5-N1428 HydrophobicContact CB-CB 3.8Å; R5-N1428 CovalentContact CB-O 1.38Å; R5-N1428 WeakPolarHBondContact CB-O 3.32Å; R5-N1428 VanDerWaalsContact CD-CA 3.46Å; R5-N1428 WeakPolarHBondContact CD-O 1.55Å; R5-N1428 HydrophobicContact CG-CB 3.91Å; R5-N1428 WeakPolarHBondContact CG-O 3.44Å; R5-N1428 CarbonylContact O-C 3.22Å; R5-N1428 VanDerWaalsContact O-O 3.11Å; R5-E1429 CarbonylContact C-O 3.28Å; R5-E1429 CovalentContact CA-CA 0.53Å; R5-E1429 CovalentContact CA-N 1.04Å; R5-E1429 WeakPolarHBondContact CA-O 3.28Å; R5-E1429 HydrophobicContact CB-CB 2.28Å; R5-E1429 HydrophobicContact CB-CG 2.34Å; R5-E1429 CovalentContact CB-N 1.49Å; R5-E1429 HydrophobicContact CG-CB 2.59Å; R5-E1429 HydrophobicContact CG-CG 2.61Å; R5-E1429 CovalentContact N-C 1.46Å; R5-E1429 CovalentContact N-CA 1Å; R5-E1429 CovalentContact N-CB 1.27Å; R5-E1429 PolarHBondContact N-O 3.43Å; R5-E1429 CarbonylContact O-C 3.59Å; R5-E1429 WeakPolarHBondContact O-CA 3.14Å; R5-E1429 PolarHBondContact O-N 3.27Å; R5-S1430 WeakPolarHBondContact O-CA 3.29Å; R5-S1430 PolarHBondContact O-N 3.3Å
6	S	29.8	Very low	29.1	Very low	23 Å²	23	102.4 Å²	102.4	16%	0.161	56%	0.561	C	S	.	*				0	0	0	58.2	0	0	0	0	111.6	M1427 N1428 E1429 S1430	S6-M1427 WeakPolarHBondContact CB-O 3.42Å; S6-M1427 CovalentContact OG-O 1.66Å; S6-M1427 PolarHBondContact OG-O 2.82Å; S6-N1428 CarbonylContact O-C 3.48Å; S6-N1428 WeakPolarHBondContact O-CA 3.36Å; S6-N1428 WeakPolarHBondContact O-CB 3.38Å; S6-N1428 PolarHBondContact O-OD1 3.37Å; S6-N1428 WeakPolarHBondContact OG-CA 3.39Å; S6-N1428 PolarHBondContact OG-N 3.04Å; S6-N1428 VanDerWaalsContact OG-N 3.1Å; S6-E1429 PolarHBondContact N-O 2.98Å; S6-E1429 PolarHBondContact OG-N 1.8Å; S6-S1430 WeakPolarHBondContact CA-O 1.96Å; S6-S1430 CovalentContact N-N 1.63Å; S6-S1430 PolarHBondContact N-O 2.46Å; S6-S1430 PolarHBondContact N-OG 2.74Å
7	S	29.1	Very low	29.2	Very low	61 Å²	61	105.9 Å²	105.9	43%	0.427	57%	0.572	S	S	.	*				0	0	0	36.1	0	0	0	0	109.6	N1428	S7-N1428 WeakPolarHBondContact CB-OD1 3.38Å; S7-N1428 VanDerWaalsContact OG-CB 3.26Å; S7-N1428 WeakPolarHBondContact OG-CB 3.07Å; S7-N1428 PolarHBondContact OG-ND2 3.3Å; S7-N1428 PolarHBondContact OG-OD1 3.12Å
8	I	30.1	Very low	29.1	Very low	139 Å²	139	113.7 Å²	113.7	71%	0.713	59%	0.592	S	S	*	*				0	0	0	-68.6	165.9	0	0	0	108.2
9	G	36.4	Very low	29.6	Very low	67 Å²	67	112.7 Å²	112.7	69%	0.691	59%	0.594	S	S	*	*				0	0	0	0	0	0	0	0	110.5
10	P	36.5	Very low	29.6	Very low	116 Å²	116	113.2 Å²	113.2	75%	0.753	60%	0.601	S	S	*	*				0	0	0	34.2	-5.6	0	0	0	112.1
11	S	31.8	Very low	29.5	Very low	91 Å²	91	112.2 Å²	112.2	64%	0.636	60%	0.603	S	S	*	*				0	0	0	15.8	0	0	0	0	109.7
12	D	32.5	Very low	29.8	Very low	129 Å²	129	110.6 Å²	110.6	69%	0.69	61%	0.606	S	S	*	*				0	0	0	-96	-14.5	0	0	0	109.3
13	R	31.8	Very low	30.3	Very low	209 Å²	209	112.6 Å²	112.6	79%	0.789	63%	0.633	S	S	*	*				0	0	0	-85.9	-170.9	-179	-172.8	-0.3	110.2
14	T	30.4	Very low	31.1	Very low	117 Å²	117	112.9 Å²	112.9	72%	0.718	65%	0.648	S	S	*	*				0	0	0	54	0	0	0	0	109.3
15	S	29.5	Very low	31.4	Very low	96 Å²	96	116.8 Å²	116.8	67%	0.671	67%	0.666	S	S	*	*				0	0	0	45.7	0	0	0	0	109.8
16	K	28.7	Very low	31.8	Very low	175 Å²	175	118 Å²	118	76%	0.761	68%	0.676	S	S	*	*				0	0	0	-105.1	-179.7	-178.1	174	0	109.9
17	E	29.6	Very low	31.7	Very low	163 Å²	163	125.4 Å²	125.4	76%	0.762	71%	0.705	S	S	*	*				0	0	0	-86.9	-169	173.2	0	0	110
18	R	28	Very low	31.8	Very low	245 Å²	245	125.6 Å²	125.6	93%	0.925	72%	0.718	S	S	*	*				0	0	0	-103.2	-176.5	-160.5	-177.7	-1.8	111.3
19	P	38.4	Very low	31.6	Very low	96 Å²	96	126 Å²	126	62%	0.623	72%	0.72	S	S	*	*				0	161.7	0	34.1	-5.3	0	0	0	112
20	V	29	Very low	31	Very low	121 Å²	121	130.8 Å²	130.8	73%	0.733	72%	0.722	S	S	*	*			trans	152.4	123.3	131.8	-178.9	0	0	0	0	107.8
21	S	29.3	Very low	30.7	Very low	93 Å²	93	133.6 Å²	133.6	65%	0.65	72%	0.723	S	S	*	*				95.8	0	93	76.2	0	0	0	0	110.3
22	S	31.2	Very low	30.3	Very low	113 Å²	113	140.9 Å²	140.9	79%	0.79	74%	0.736	S	S	*	*				0	0	0	41.5	0	0	0	0	109.6
23	G	35.7	Very low	30.1	Very low	70 Å²	70	138.2 Å²	138.2	72%	0.722	74%	0.739	S	S	*	*				0	0	0	0	0	0	0	0	112.4
24	P	38.8	Very low	29.8	Very low	113 Å²	113	133.8 Å²	133.8	73%	0.734	74%	0.74	S	S	*	*				0	0	0	33.5	-5.4	0	0	0	111.8
25	D	29.9	Very low	29.5	Very low	142 Å²	142	132.9 Å²	132.9	76%	0.759	73%	0.734	S	S	*	*				0	0	0	-102.7	-6.6	0	0	0	110
26	M	30.6	Very low	29.5	Very low	98 Å²	98	136.8 Å²	136.8	48%	0.483	74%	0.739	S	S	.	*				0	0	0	-101.7	-119.6	57.9	0	0	109.8
27	F	29.2	Very low	29.3	Very low	179 Å²	179	134.9 Å²	134.9	79%	0.785	74%	0.737	S	S	*	*				0	0	0	-96	-82.8	0	0	0	109.7
28	G	31.6	Very low	29.2	Very low	66 Å²	66	132 Å²	132	68%	0.68	73%	0.73	S	S	*	*				0	107.7	0	0	0	0	0	0	110.9
29	L	25	Very low	29.3	Very low	146 Å²	146	126.6 Å²	126.6	76%	0.764	72%	0.72	S	S	*	*				56.8	0	93	-91.7	161.8	0	0	0	111
30	F	24.7	Very low	28.7	Very low	169 Å²	169	130.2 Å²	130.2	74%	0.741	73%	0.728	S	S	*	*				0	0	0	-97.9	-81.6	0	0	0	109.8
31	K	28.3	Very low	29	Very low	175 Å²	175	128 Å²	128	76%	0.761	72%	0.717	S	S	*	*				0	0	0	-110.1	-174	-178.2	179.7	0	109.9
32	R	24.5	Very low	29	Very low	244 Å²	244	132.3 Å²	132.3	92%	0.921	73%	0.727	S	S	*	*				0	0	0	-120.2	179.7	-152.1	-174.4	-0.7	110.7
33	G	28.9	Very low	28.6	Very low	73 Å²	73	132.4 Å²	132.4	75%	0.753	73%	0.726	S	S	*	*				0	101.6	0	0	0	0	0	0	110
34	S	23.8	Very low	28.1	Very low	116 Å²	116	135.3 Å²	135.3	81%	0.811	72%	0.724	S	S	*	*				56.6	119.8	106.1	-149.4	0	0	0	0	111.2
35	V	25.6	Very low	27.4	Very low	98 Å²	98	137.8 Å²	137.8	59%	0.594	72%	0.723	S	S	*	*				128.8	118.5	111.4	178.3	0	0	0	0	108.1
36	K	28.4	Very low	27.2	Very low	177 Å²	177	138.4 Å²	138.4	77%	0.77	72%	0.722	S	S	*	*				125.7	107.1	109.1	-95.3	-179	-177.5	177.9	0	109.9
37	D	25.5	Very low	27	Very low	135 Å²	135	140.9 Å²	140.9	72%	0.722	73%	0.732	S	S	*	*				77.3	113.1	109.8	-85.8	-24.8	0	0	0	110.4
38	V	27.7	Very low	27.1	Very low	102 Å²	102	138.4 Å²	138.4	62%	0.618	73%	0.727	S	S	*	*				126.9	109.5	112.9	179.3	0	0	0	0	108.4
39	N	28.7	Very low	27	Very low	133 Å²	133	140.3 Å²	140.3	71%	0.711	73%	0.73	S	S	*	*				98.5	108.8	105.3	-87.1	-27.6	0	0	0	110.4
40	H	27.2	Very low	27.4	Very low	171 Å²	171	138.4 Å²	138.4	79%	0.792	73%	0.726	S	S	*	*				82.7	145.2	108.9	-121.9	-65.5	0	0	0	110.5
41	P	34.8	Very low	27.7	Very low	76 Å²	76	137.8 Å²	137.8	49%	0.494	73%	0.728	S	S	.	*				-107.1	140.6	-118.2	35.2	-5.9	0	0	0	112
42	E	29.2	Very low	27.7	Very low	183 Å²	183	136.4 Å²	136.4	86%	0.855	73%	0.728	S	S	*	*			trans	153	0	142.3	-109.7	179.8	177.4	0	0	109.7
43	C	22.2	Very low	28.1	Very low	114 Å²	114	128 Å²	128	77%	0.77	72%	0.718	S	S	*	*				0	110.1	0	-132.5	0	0	0	0	111.1
44	L	25.2	Very low	28	Very low	131 Å²	131	130 Å²	130	69%	0.686	72%	0.72	S	S	*	*			trans	155.3	109	134.3	-74.4	174.7	0	0	0	109.4
45	K	24.6	Very low	28.1	Very low	166 Å²	166	128.3 Å²	128.3	72%	0.722	71%	0.709	S	S	*	*				85.3	108.3	110.3	-79.5	-171.4	-179.6	174.5	0	110.1
46	E	26.5	Very low	28.1	Very low	154 Å²	154	133.7 Å²	133.7	72%	0.72	72%	0.719	S	S	*	*				117.9	104.9	117.7	-85.6	-172.7	177.7	0	0	109.8
47	E	26.6	Very low	28	Very low	151 Å²	151	131.3 Å²	131.3	71%	0.706	71%	0.714	S	S	*	*				83.8	105.4	109.2	-74.9	-139.4	154.1	0	0	110.1
48	D	30.8	Very low	28	Very low	126 Å²	126	129.8 Å²	129.8	67%	0.674	71%	0.71	S	S	*	*				130.8	97.7	116.6	-86.6	-22.9	0	0	0	109.4
49	S	29.5	Very low	27.9	Very low	106 Å²	106	130.2 Å²	130.2	74%	0.741	71%	0.713	S	S	*	*				98.9	136	113.8	-40.6	0	0	0	0	110.2
50	P	33.7	Very low	27.7	Very low	107 Å²	107	129.7 Å²	129.7	70%	0.695	71%	0.714	S	S	*	*			trans	-91.9	134.3	-175.3	33.5	-4.3	0	0	0	111.9
51	M	30	Very low	27.6	Very low	156 Å²	156	125.1 Å²	125.1	77%	0.768	71%	0.707	S	S	*	*			trans	161.9	108.4	151.9	-80.3	-74.8	-137.4	0	0	109.1
52	D	27.7	Very low	27.3	Very low	145 Å²	145	128 Å²	128	78%	0.775	72%	0.718	S	S	*	*				126.5	109.2	110	-92.3	-14.5	0	0	0	109.5
53	G	33.2	Very low	27.2	Very low	69 Å²	69	124.5 Å²	124.5	71%	0.711	71%	0.705	S	S	*	*				126	97.3	103.9	0	0	0	0	0	110.3
54	S	26.8	Very low	27.5	Very low	113 Å²	113	126.2 Å²	126.2	79%	0.79	70%	0.699	S	S	*	*				79.4	113	102.4	152.7	0	0	0	0	110.3
55	S	25.8	Very low	27.6	Very low	82 Å²	82	125.8 Å²	125.8	57%	0.573	70%	0.698	S	S	*	*				88.7	112.7	99.7	-119.3	0	0	0	0	110.4
56	R	26.6	Very low	27.8	Very low	211 Å²	211	122.4 Å²	122.4	80%	0.796	70%	0.695	S	S	*	*				99.6	113.7	107.4	-101.8	178.9	179.1	162.3	0.8	109.9
57	D	25.2	Very low	28	Very low	126 Å²	126	119.4 Å²	119.4	67%	0.674	69%	0.691	S	S	*	*				84	115	109	-83.7	-21.1	0	0	0	110.1
58	T	25.3	Very low	28	Very low	103 Å²	103	120.1 Å²	120.1	63%	0.632	70%	0.7	S	S	*	*				96.1	113.5	112.6	-8.4	0	0	0	0	109.8
59	T	25.4	Very low	27.8	Very low	112 Å²	112	116.8 Å²	116.8	69%	0.687	70%	0.695	S	S	*	*				107.1	111.2	117.2	36.5	0	0	0	0	109.6
60	T	25	Very low	27.8	Very low	121 Å²	121	116.2 Å²	116.2	74%	0.742	69%	0.691	S	S	*	*				90.5	109.2	112.1	-13	0	0	0	0	109.9
61	A	26.4	Very low	27.4	Very low	76 Å²	76	118.1 Å²	118.1	63%	0.628	70%	0.696	S	S	*	*				121.9	104.4	120	0	0	0	0	0	109.4
62	N	26.6	Very low	27.2	Very low	137 Å²	137	115.5 Å²	115.5	73%	0.733	69%	0.693	S	S	*	*				79	107.5	106	-95.5	-4.5	0	0	0	110.7
63	N	27.9	Very low	27.1	Very low	108 Å²	108	113.2 Å²	113.2	58%	0.578	69%	0.688	S	S	*	*				116.9	106.5	117.4	-107.2	-5.5	0	0	0	110.2
64	K	28.4	Very low	26.8	Very low	150 Å²	150	114.6 Å²	114.6	65%	0.652	69%	0.687	S	S	*	*				117.1	103.1	106.3	-91.8	-175.6	-178	168.2	0	109.7
65	N	28.3	Very low	26.7	Very low	123 Å²	123	116.1 Å²	116.1	66%	0.658	69%	0.686	S	S	*	*				106.1	103.7	104.2	-88.9	-5.9	0	0	0	110.1
66	S	28.8	Very low	26.6	Very low	95 Å²	95	116.5 Å²	116.5	66%	0.664	69%	0.689	S	S	*	*				108.7	104.7	100.2	-100.6	0	0	0	0	109.9
67	S	29.3	Very low	26.4	Very low	91 Å²	91	111.1 Å²	111.1	64%	0.636	68%	0.684	S	S	*	*				115.5	106.5	100.4	55.4	0	0	0	0	109.7
68	N	26.5	Very low	26.3	Very low	165 Å²	165	109.8 Å²	109.8	88%	0.882	68%	0.684	S	S	*	*				82.2	107.3	96.8	-93.2	-4.9	0	0	0	110.6
69	G	28.4	Very low	26.2	Very low	57 Å²	57	114.3 Å²	114.3	59%	0.588	70%	0.695	S	S	*	*				135.6	100.4	112.1	0	0	0	0	0	110.5
70	S	27.5	Very low	26.2	Very low	94 Å²	94	113.9 Å²	113.9	66%	0.657	70%	0.697	S	S	*	*				101	109.2	99.1	0.5	0	0	0	0	110.1
71	N	26.1	Very low	26.1	Very low	146 Å²	146	115.6 Å²	115.6	78%	0.781	70%	0.701	S	S	*	*				120.9	104.2	105.7	-88.9	-6	0	0	0	110.1
72	S	27	Very low	26.2	Very low	101 Å²	101	117.7 Å²	117.7	71%	0.706	71%	0.711	S	S	*	*				120.4	107.5	102	48.4	0	0	0	0	109.8
73	S	25.5	Very low	26.1	Very low	98 Å²	98	122.4 Å²	122.4	69%	0.685	72%	0.718	S	S	*	*				101.7	110.5	97.1	49	0	0	0	0	110
74	S	26.3	Very low	26.1	Very low	98 Å²	98	125.3 Å²	125.3	69%	0.685	73%	0.73	S	S	*	*				136.1	110.8	111.8	52.8	0	0	0	0	109.5
75	N	23.8	Very low	26	Very low	144 Å²	144	122.8 Å²	122.8	77%	0.77	73%	0.732	S	S	*	*				89.7	107.1	97.7	-95.9	-2.7	0	0	0	110.6
76	S	23.4	Very low	25.9	Very low	91 Å²	91	126.2 Å²	126.2	64%	0.636	74%	0.741	S	S	*	*				68.9	106.3	110.5	45	0	0	0	0	110.7
77	S	23.2	Very low	26.1	Very low	97 Å²	97	126.8 Å²	126.8	68%	0.678	74%	0.742	S	S	*	*				117.5	107.8	121.5	61.1	0	0	0	0	109.8
78	S	23.8	Very low	26	Very low	98 Å²	98	125.5 Å²	125.5	69%	0.685	74%	0.743	S	S	*	*				82.2	109.5	120.2	-39	0	0	0	0	110.6
79	K	23.7	Very low	26.1	Very low	199 Å²	199	125.8 Å²	125.8	87%	0.865	74%	0.739	S	S	*	*				74.7	0	117	-88.5	-178.5	-177.1	170.5	0	110.9
80	S	23.7	Very low	26	Very low	103 Å²	103	127.2 Å²	127.2	72%	0.72	74%	0.74	S	S	*	*				0	116.9	0	-101.2	0	0	0	0	110.2
81	L	23.8	Very low	25.8	Very low	157 Å²	157	131.3 Å²	131.3	82%	0.822	75%	0.746	S	S	*	*				118	108	111.7	-83.1	155.1	0	0	0	109.7
82	S	29.2	Very low	25.7	Very low	120 Å²	120	128.8 Å²	128.8	84%	0.839	74%	0.739	S	S	*	*			trans	-176.5	0	130.1	11.3	0	0	0	0	109.3
83	R	24.3	Very low	25.6	Very low	236 Å²	236	131.9 Å²	131.9	89%	0.891	75%	0.748	S	S	*	*				0	95.9	0	-134.5	177.2	-140.7	-174.1	0.9	110.6
84	M	26.3	Very low	25.6	Very low	169 Å²	169	129.9 Å²	129.9	83%	0.833	74%	0.743	S	S	*	*				157.1	94.4	115.4	-79.2	-163.8	125.5	0	0	109.2
85	S	26.3	Very low	25.6	Very low	97 Å²	97	131.5 Å²	131.5	68%	0.678	75%	0.749	S	S	*	*				121.1	0	99.7	-67.2	0	0	0	0	109.9
86	F	27	Very low	25.6	Very low	195 Å²	195	129 Å²	129	86%	0.855	74%	0.743	S	S	*	*				0	143.7	0	-86.9	-80.8	0	0	0	110.6
87	P	32.7	Very low	25.7	Very low	107 Å²	107	131.4 Å²	131.4	70%	0.695	75%	0.749	S	S	*	*			cis	-155.1	139.3	-5.6	29.9	-1.3	0	0	0	112.1
88	G	26.7	Very low	25.8	Very low	64 Å²	64	134.2 Å²	134.2	66%	0.66	75%	0.748	S	S	*	*				82.2	105.5	85.7	0	0	0	0	0	111.1
89	H	28.8	Very low	25.9	Very low	171 Å²	171	136.9 Å²	136.9	79%	0.792	75%	0.748	S	S	*	*				145.7	104.2	105.9	-93.7	-64.8	0	0	0	109.3
90	S	26.2	Very low	25.9	Very low	86 Å²	86	132.4 Å²	132.4	60%	0.601	74%	0.737	S	S	*	*				55.3	119.7	91.5	-43.1	0	0	0	0	110.9
91	K	25	Very low	26	Very low	181 Å²	181	133.6 Å²	133.6	79%	0.787	74%	0.74	S	S	*	*				122.9	109	109.7	-86.3	-174.4	-178.2	174.2	0	109.7
92	S	23.9	Very low	26.1	Very low	92 Å²	92	129.2 Å²	129.2	64%	0.643	73%	0.733	S	S	*	*				97.6	108.7	105	68.8	0	0	0	0	110.2
93	N	24	Very low	26	Very low	167 Å²	167	130.4 Å²	130.4	89%	0.893	73%	0.73	S	S	*	*				74.7	110	112	-90.9	-4.6	0	0	0	110.7
94	G	25.9	Very low	26.2	Very low	55 Å²	55	124.1 Å²	124.1	57%	0.567	71%	0.713	S	S	*	*				134.6	96.6	126.8	0	0	0	0	0	110.5
95	T	25.2	Very low	26.3	Very low	132 Å²	132	123.7 Å²	123.7	81%	0.81	71%	0.707	S	S	*	*				88.2	108.2	111.9	33.3	0	0	0	0	110.1
96	S	25	Very low	26.4	Very low	93 Å²	93	124.2 Å²	124.2	65%	0.65	70%	0.702	S	S	*	*				102.4	108.2	111.3	58.4	0	0	0	0	110.1
97	N	25.1	Very low	26.5	Very low	141 Å²	141	122.6 Å²	122.6	75%	0.754	70%	0.697	S	S	*	*				93.6	109.6	111.3	-93.3	-7.4	0	0	0	110.6
98	K	25.3	Very low	26.3	Very low	155 Å²	155	121.9 Å²	121.9	67%	0.674	70%	0.695	S	S	*	*				98.2	110.1	107.5	-133.3	175.9	-178.4	173.5	0	110.1
99	K	24.9	Very low	26.6	Very low	155 Å²	155	125.3 Å²	125.3	67%	0.674	70%	0.703	S	S	*	*				79.5	113.3	108.7	-110.3	178.4	-176.4	177	0	110.4
100	T	24.7	Very low	26.5	Very low	104 Å²	104	127 Å²	127	64%	0.638	71%	0.709	S	S	*	*				120.9	110.1	116.6	11.1	0	0	0	0	109.4
101	T	25.3	Very low	26.7	Very low	128 Å²	128	128.7 Å²	128.7	79%	0.785	72%	0.72	S	S	*	*				93.8	115.9	106	54.3	0	0	0	0	109.7
102	G	27.1	Very low	26.8	Very low	65 Å²	65	125.6 Å²	125.6	67%	0.67	72%	0.722	S	S	*	*				99.9	106.4	108.5	0	0	0	0	0	110.9
103	N	27	Very low	27.1	Very low	146 Å²	146	126.6 Å²	126.6	78%	0.781	73%	0.728	S	S	*	*				94	120.2	107.9	-103.9	-12.2	0	0	0	110.7
104	L	28.7	Very low	27.3	Very low	103 Å²	103	125.1 Å²	125.1	54%	0.539	73%	0.726	S	S	.	*				100.5	121.5	100.2	-105.6	126	0	0	0	109.7
105	K	27.8	Very low	27.3	Very low	160 Å²	160	127 Å²	127	70%	0.696	73%	0.728	S	S	*	*				118.1	117.6	100.8	-117.2	173.6	179.4	177.7	0	109.8
106	D	28.9	Very low	27.5	Very low	108 Å²	108	127.2 Å²	127.2	58%	0.578	73%	0.732	S	S	*	*				112.1	117	102.5	-86.6	-18.7	0	0	0	109.9
107	Q	29.5	Very low	27.7	Very low	162 Å²	162	130.8 Å²	130.8	76%	0.757	74%	0.743	S	S	*	*				103.9	0	96.2	-101.8	179.9	41.8	0	0	110.1
108	S	27.8	Very low	28	Very low	92 Å²	92	127.7 Å²	127.7	64%	0.643	74%	0.744	S	S	*	*				0	120.3	0	62.5	0	0	0	0	109.9
109	T	31.8	Very low	28.3	Very low	136 Å²	136	129.7 Å²	129.7	83%	0.834	76%	0.755	S	S	*	*				152.5	0	108	13.4	0	0	0	0	109
110	F	26.9	Very low	28.6	Very low	206 Å²	206	128.3 Å²	128.3	90%	0.904	76%	0.759	S	S	*	*				0	113.2	0	-102.6	-85.7	0	0	0	110.8
111	S	31.1	Very low	28.8	Very low	122 Å²	122	132.7 Å²	132.7	85%	0.853	78%	0.775	S	S	*	*				-168	0	128.1	56.2	0	0	0	0	109.2
112	S	27.1	Very low	29	Very low	116 Å²	116	129.1 Å²	129.1	81%	0.811	76%	0.763	S	S	*	*				0	0	0	73.7	0	0	0	0	111.8
113	S	29.1	Very low	29.1	Very low	112 Å²	112	137.5 Å²	137.5	78%	0.783	78%	0.775	S	S	*	*				0	86.6	0	64	0	0	0	0	109.4
114	T	29.4	Very low	29.4	Very low	137 Å²	137	137.5 Å²	137.5	84%	0.84	78%	0.775	S	S	*	*			trans	60.8	111.4	137.3	4	0	0	0	0	110.5
115	P	26.1	Very low	29.5	Very low	93 Å²	93	141.7 Å²	141.7	60%	0.604	79%	0.789	S	S	*	*			trans	-80.1	138	-176.4	31.2	-4.4	0	0	0	112	L117	P115-L117 HydrophobicContact CG-CD1 4.49Å; P115-L117 PolarHBondContact O-N 3.04Å
116	P	28.3	Very low	29.7	Very low	138 Å²	138	141.4 Å²	141.4	90%	0.896	80%	0.795	S	S	*	*			trans	-54.4	0	-178.4	20.8	-3.2	0	0	0	111.8
117	L	29.5	Very low	30.4	Very low	168 Å²	168	143.8 Å²	143.8	88%	0.88	81%	0.808	S	S	*	*				0	0	0	-134.3	84.3	0	0	0	110.1	P115	P115-L117 HydrophobicContact CG-CD1 4.49Å; P115-L117 PolarHBondContact O-N 3.04Å
118	G	31.4	Very low	30.9	Very low	75 Å²	75	142.5 Å²	142.5	77%	0.773	80%	0.802	S	S	*	*				0	78.9	0	0	0	0	0	0	110
119	H	32.8	Very low	31.4	Very low	197 Å²	197	140.7 Å²	140.7	91%	0.912	80%	0.798	S	S	*	*			trans	-55	87.3	132	-93.9	72.7	0	0	0	110.6
120	V	31.1	Very low	31.7	Very low	127 Å²	127	142 Å²	142	77%	0.77	79%	0.794	S	S	*	*			trans	-92.5	105.6	145.2	178.4	0	0	0	0	108.9	G122	V120-G122 PolarHBondContact O-N 2.94Å
121	M	28.4	Very low	32.6	Very low	195 Å²	195	133.8 Å²	133.8	96%	0.961	76%	0.762	S	S	*	*			trans	-33.4	0	161.6	-111.8	173.3	164.7	0	0	111.3
122	G	28.5	Very low	33.3	Very low	53 Å²	53	131.7 Å²	131.7	55%	0.546	74%	0.742	S	S	.	*				0	94.6	0	0	0	0	0	0	110.4	V120 N124	V120-G122 PolarHBondContact O-N 2.94Å; G122-N124 PolarHBondContact O-N 2.51Å
123	R	29.6	Very low	34.4	Very low	242 Å²	242	131.3 Å²	131.3	91%	0.913	73%	0.73	S	S	*	*	S	Bend	trans	32	0	136.6	-95.8	179.6	161.4	161.9	-0.4	111.6
124	N	32.7	Very low	35.7	Very low	145 Å²	145	127.8 Å²	127.8	78%	0.775	71%	0.705	S	S	*	*				0	60.3	0	-92.8	-5.2	0	0	0	109.9	G122	G122-N124 PolarHBondContact O-N 2.51Å
125	F	31	Very low	37.1	Very low	192 Å²	192	121.5 Å²	121.5	84%	0.842	67%	0.667	S	S	*	*			trans	-145	53.2	172.5	-76.6	-77.9	0	0	0	109.2
126	D	32.6	Very low	39.1	Very low	154 Å²	154	119.3 Å²	119.3	82%	0.824	66%	0.656	S	S	*	*	S	Bend	trans	-111.4	0	177.3	-69.3	-30.1	0	0	0	109.8
127	D	43.2	Very low	41.2	Very low	157 Å²	157	117.8 Å²	117.8	84%	0.84	64%	0.64	S	S	*	*	S	Bend		0	0	0	-96.5	-20.9	0	0	0	109.4
128	E	40.9	Very low	43.1	Very low	136 Å²	136	113.8 Å²	113.8	64%	0.636	62%	0.62	S	S	*	*				0	0	0	-65.9	-76.3	156.7	0	0	109.5
129	G	37.6	Very low	45.3	Very low	54 Å²	54	110.8 Å²	110.8	56%	0.557	59%	0.586	S	S	*	*	H	α-helix		0	-0.3	0	0	0	0	0	0	110.8	L133	G129-L133 WeakPolarHBondContact O-CD1 2.48Å; G129-L133 WeakPolarHBondContact O-CG 2.84Å
130	E	38.9	Very low	47.6	Very low	163 Å²	163	103.5 Å²	103.5	76%	0.762	56%	0.56	S	S	*	*	H	α-helix	trans	-108.9	0	-179.5	-111.3	-177.4	178.9	0	0	110.4
131	S	45.8	Very low	49.9	Very low	33 Å²	33	103 Å²	103	23%	0.231	55%	0.549	C	S	.	.	H	α-helix		0	-22.3	0	60.2	0	0	0	0	110.6	S134 N135	S131-S134 PolarHBondContact O-OG 3.13Å; S131-N135 PolarHBondContact O-N 1.53Å
132	D	46.4	Very low	52.2	Low	79 Å²	79	96 Å²	96	42%	0.422	52%	0.516	S	S	.	.	H	α-helix	trans	-83.5	0	175.4	-75.5	-16.1	0	0	0	110.7	R3 A136	R3-D132 IonicContact CZ-OD1 3.69Å; R3-D132 IonicContact NH1-OD1 3.91Å; R3-D132 PolarHBondContact NH1-OD1 3.11Å; R3-D132 VanDerWaalsContact NH2-CA 3.26Å; R3-D132 PolarHBondContact NH2-O 1.94Å; R3-D132 IonicContact NH2-OD1 3.83Å; D132-A136 WeakPolarHBondContact O-CB 3.23Å; D132-A136 PolarHBondContact O-N 3.35Å; D132-A136 VanDerWaalsContact O-N 3.14Å
133	L	49.3	Very low	54.9	Low	108 Å²	108	93.7 Å²	93.7	57%	0.565	49%	0.491	S	S	*	.	H	α-helix		0	-31.5	0	-83.9	148.8	0	0	0	110.7	G129 N137	G129-L133 WeakPolarHBondContact O-CD1 2.48Å; G129-L133 WeakPolarHBondContact O-CG 2.84Å; L133-N137 WeakPolarHBondContact O-CB 3.04Å; L133-N137 PolarHBondContact O-N 2.33Å; L133-N137 PolarHBondContact O-ND2 3.32Å; L133-N137 PolarHBondContact O-OD1 2.14Å
134	S	55.4	Low	57.5	Low	37 Å²	37	84.6 Å²	84.6	26%	0.259	46%	0.464	S	S	.	.	H	α-helix	trans	-74.6	-37.3	179.2	69.2	0	0	0	0	110.8	S131 A136 N137 D138	S131-S134 PolarHBondContact O-OG 3.13Å; S134-A136 VanDerWaalsContact C-N 3.32Å; S134-N137 PolarHBondContact O-N 2.02Å; S134-D138 VanDerWaalsContact O-CG 3.27Å; S134-D138 PolarHBondContact O-N 3Å
135	N	60.3	Low	59.9	Low	6 Å²	6	79.2 Å²	79.2	3%	0.032	44%	0.435	C	S	.	.	H	α-helix	trans	-68.4	-36	173.8	-74.2	-14.4	0	0	0	111	V2 R3 S131 N137 D138 L139 E1429	V2-N135 HydrophobicContact CG1-CB 4.15Å; R3-N135 WeakPolarHBondContact CD-ND2 2.49Å; R3-N135 HydrophobicContact CG-CB 3.41Å; R3-N135 VanDerWaalsContact CG-CB 3.41Å; R3-N135 WeakPolarHBondContact CG-ND2 2.52Å; R3-N135 WeakPolarHBondContact CG-OD1 2.44Å; R3-N135 PolarHBondContact NE-ND2 2.7Å; R3-N135 PolarHBondContact NE-OD1 3.09Å; R3-N135 PolarHBondContact NH1-ND2 0.42Å; R3-N135 PolarHBondContact NH2-ND2 3.22Å; S131-N135 PolarHBondContact O-N 1.53Å; N135-N137 VanDerWaalsContact C-N 3.25Å; N135-D138 PolarHBondContact O-N 2.65Å; N135-L139 WeakPolarHBondContact O-CB 2.57Å; N135-L139 WeakPolarHBondContact O-CD1 1.29Å; N135-L139 VanDerWaalsContact O-CG 3.29Å; N135-L139 WeakPolarHBondContact O-CG 2.33Å; N135-L139 PolarHBondContact O-N 2.56Å; N135-E1429 VanDerWaalsContact CG-OE1 3.31Å; N135-E1429 PolarHBondContact OD1-OE1 3.33Å
136	A	67.2	Low	62.6	Low	47 Å²	47	70.2 Å²	70.2	39%	0.388	40%	0.395	S	S	.	.	H	α-helix	trans	-68.8	-36.1	175.6	0	0	0	0	0	110.4	D132 S134 A140	D132-A136 WeakPolarHBondContact O-CB 3.23Å; D132-A136 PolarHBondContact O-N 3.35Å; D132-A136 VanDerWaalsContact O-N 3.14Å; S134-A136 VanDerWaalsContact C-N 3.32Å; A136-A140 WeakPolarHBondContact O-CB 3.08Å; A136-A140 PolarHBondContact O-N 2.41Å
137	N	72.4	Confident	64.9	Low	105 Å²	105	67.4 Å²	67.4	56%	0.561	38%	0.38	S	S	*	.	H	α-helix	trans	-71.3	0	178.6	-78.7	-17.3	0	0	0	111.2	L133 S134 N135 A140 H141	L133-N137 WeakPolarHBondContact O-CB 3.04Å; L133-N137 PolarHBondContact O-N 2.33Å; L133-N137 PolarHBondContact O-ND2 3.32Å; L133-N137 PolarHBondContact O-OD1 2.14Å; S134-N137 PolarHBondContact O-N 2.02Å; N135-N137 VanDerWaalsContact C-N 3.25Å; N137-A140 WeakPolarHBondContact O-CB 3.5Å; N137-A140 PolarHBondContact O-N 3.47Å; N137-H141 WeakPolarHBondContact O-CB 3.18Å; N137-H141 PolarHBondContact O-N 1.39Å
138	D	70.6	Confident	67.1	Low	85 Å²	85	62.2 Å²	62.2	46%	0.455	36%	0.356	S	S	.	.	H	α-helix		0	-41.1	0	-71.1	-17.7	0	0	0	110.7	S134 N135 H141 L142	S134-D138 VanDerWaalsContact O-CG 3.27Å; S134-D138 PolarHBondContact O-N 3Å; N135-D138 PolarHBondContact O-N 2.65Å; D138-H141 PolarHBondContact O-N 3.17Å; D138-L142 WeakPolarHBondContact O-CG 3.38Å; D138-L142 PolarHBondContact O-N 2.82Å
139	L	76.7	Confident	69.4	Low	12 Å²	12	55.9 Å²	55.9	6%	0.063	33%	0.327	C	S	.	.	H	α-helix	trans	-68.2	-35	176.8	-76.5	165.8	0	0	0	110.5	V2 N135 L142 S143 I261 N262 W268	V2-L139 HydrophobicContact CB-CD1 3.23Å; V2-L139 HydrophobicContact CB-CD2 2.87Å; V2-L139 HydrophobicContact CB-CG 3.1Å; V2-L139 HydrophobicContact CG1-CB 4.35Å; V2-L139 HydrophobicContact CG1-CD1 3.05Å; V2-L139 HydrophobicContact CG1-CD2 3.43Å; V2-L139 VanDerWaalsContact CG1-CD2 3.43Å; V2-L139 HydrophobicContact CG1-CG 2.93Å; V2-L139 HydrophobicContact CG2-CB 3.78Å; V2-L139 HydrophobicContact CG2-CD1 3.1Å; V2-L139 CovalentContact CG2-CD2 1.54Å; V2-L139 HydrophobicContact CG2-CD2 1.54Å; V2-L139 HydrophobicContact CG2-CG 2.41Å; N135-L139 WeakPolarHBondContact O-CB 2.57Å; N135-L139 WeakPolarHBondContact O-CD1 1.29Å; N135-L139 VanDerWaalsContact O-CG 3.29Å; N135-L139 WeakPolarHBondContact O-CG 2.33Å; N135-L139 PolarHBondContact O-N 2.56Å; L139-L142 PolarHBondContact O-N 1.42Å; L139-S143 WeakPolarHBondContact O-CA 3.05Å; L139-S143 WeakPolarHBondContact O-CB 3.1Å; L139-S143 PolarHBondContact O-N 3.02Å; L139-I261 HydrophobicContact CD2-CG2 4.24Å; L139-I261 WeakPolarHBondContact CD2-O 3.19Å; L139-N262 PolarHBondContact O-OD1 2.52Å; L139-W268 HydrophobicContact CD2-CH2 4.49Å; L139-W268 HydrophobicContact CD2-CZ2 4.01Å
140	A	80.3	Confident	71.7	Confident	44 Å²	44	55.6 Å²	55.6	36%	0.364	31%	0.314	S	S	.	.	H	α-helix	trans	-66.8	-37.8	176.9	0	0	0	0	0	110.4	A136 N137 S143 S144	A136-A140 WeakPolarHBondContact O-CB 3.08Å; A136-A140 PolarHBondContact O-N 2.41Å; N137-A140 WeakPolarHBondContact O-CB 3.5Å; N137-A140 PolarHBondContact O-N 3.47Å; A140-S143 PolarHBondContact O-N 3.22Å; A140-S144 WeakPolarHBondContact O-CB 2.91Å; A140-S144 PolarHBondContact O-N 3Å
141	H	79.7	Confident	74	Confident	116 Å²	116	50.3 Å²	50.3	54%	0.537	30%	0.295	S	S	.	.	H	α-helix	trans	-68.4	-43.5	178.4	-174	-96.2	0	0	0	110.8	N137 D138 S143 S144 E145	N137-H141 WeakPolarHBondContact O-CB 3.18Å; N137-H141 PolarHBondContact O-N 1.39Å; D138-H141 PolarHBondContact O-N 3.17Å; H141-S143 VanDerWaalsContact C-N 3.26Å; H141-S143 PolarHBondContact O-N 2.87Å; H141-S144 WeakPolarHBondContact CA-OG 2.3Å; H141-S144 WeakPolarHBondContact O-CB 2.42Å; H141-S144 PolarHBondContact O-N 3.3Å; H141-S144 PolarHBondContact O-OG 3.48Å; H141-E145 IonicContact CE1-OE1 3.69Å; H141-E145 PolarHBondContact O-N 3.39Å
142	L	77.2	Confident	76	Confident	49 Å²	49	48.7 Å²	48.7	26%	0.257	28%	0.284	S	S	.	.	H	α-helix	trans	-64.9	-41	177.3	-77.1	164.4	0	0	0	110.4	D138 L139 S144 E145 F146 I261 W268 F276	D138-L142 WeakPolarHBondContact O-CG 3.38Å; D138-L142 PolarHBondContact O-N 2.82Å; L139-L142 PolarHBondContact O-N 1.42Å; L142-S144 PolarHBondContact O-N 3.2Å; L142-E145 VanDerWaalsContact O-CB 3.28Å; L142-E145 WeakPolarHBondContact O-CB 2.97Å; L142-E145 PolarHBondContact O-N 3.28Å; L142-F146 WeakPolarHBondContact O-CD2 2.54Å; L142-I261 HydrophobicContact CB-CG2 3.95Å; L142-W268 HydrophobicContact CD1-CH2 4.4Å; L142-F276 HydrophobicContact CD2-CD2 4.4Å; L142-F276 HydrophobicContact CD2-CE2 4.39Å
143	S	84.7	Confident	78.2	Confident	3 Å²	3	45.1 Å²	45.1	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-62.8	-33.5	177.9	173.9	0	0	0	0	110.6	L139 A140 H141 E145 F146 A258 N262	L139-S143 WeakPolarHBondContact O-CA 3.05Å; L139-S143 WeakPolarHBondContact O-CB 3.1Å; L139-S143 PolarHBondContact O-N 3.02Å; A140-S143 PolarHBondContact O-N 3.22Å; H141-S143 VanDerWaalsContact C-N 3.26Å; H141-S143 PolarHBondContact O-N 2.87Å; S143-E145 PolarHBondContact O-N 3.45Å; S143-F146 CarbonylContact O-C 3.08Å; S143-F146 PolarHBondContact O-N 3.39Å; S143-A258 PolarHBondContact OG-O 3.5Å; S143-N262 WeakPolarHBondContact CB-OD1 3.22Å; S143-N262 PolarHBondContact OG-ND2 3.06Å; S143-N262 PolarHBondContact OG-OD1 3.22Å; S143-N262 VanDerWaalsContact OG-OD1 3.06Å
144	S	84.7	Confident	80.1	Confident	51 Å²	51	43.7 Å²	43.7	36%	0.357	26%	0.258	S	S	.	.	H	α-helix	trans	-67.9	-20.5	-178.8	67.6	0	0	0	0	111.2	A140 H141 L142 F146 D147	A140-S144 WeakPolarHBondContact O-CB 2.91Å; A140-S144 PolarHBondContact O-N 3Å; H141-S144 WeakPolarHBondContact CA-OG 2.3Å; H141-S144 WeakPolarHBondContact O-CB 2.42Å; H141-S144 PolarHBondContact O-N 3.3Å; H141-S144 PolarHBondContact O-OG 3.48Å; L142-S144 PolarHBondContact O-N 3.2Å; S144-F146 PolarHBondContact O-N 3.14Å; S144-D147 WeakPolarHBondContact CA-OD1 3.44Å; S144-D147 WeakPolarHBondContact CA-OD2 1.9Å; S144-D147 WeakPolarHBondContact CB-OD2 3.24Å; S144-D147 WeakPolarHBondContact O-CB 3.26Å; S144-D147 PolarHBondContact O-N 3.44Å
145	E	83.3	Confident	81.6	Confident	33 Å²	33	42.6 Å²	42.6	15%	0.154	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-13.7	179.1	-72.5	-172.1	-173.2	0	0	111	H141 L142 S143 F276	H141-E145 IonicContact CE1-OE1 3.69Å; H141-E145 PolarHBondContact O-N 3.39Å; L142-E145 VanDerWaalsContact O-CB 3.28Å; L142-E145 WeakPolarHBondContact O-CB 2.97Å; L142-E145 PolarHBondContact O-N 3.28Å; S143-E145 PolarHBondContact O-N 3.45Å; E145-F276 WeakPolarHBondContact OE2-CD2 3.01Å; E145-F276 WeakPolarHBondContact OE2-CG 3.43Å
146	F	86.8	Confident	83	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.009	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	37	179.9	-72.4	-93.4	0	0	0	109.6	L142 S143 S144 S148 V152 K158 M161 V254 L257 A258 I261 F276	L142-F146 WeakPolarHBondContact O-CD2 2.54Å; S143-F146 CarbonylContact O-C 3.08Å; S143-F146 PolarHBondContact O-N 3.39Å; S144-F146 PolarHBondContact O-N 3.14Å; F146-S148 VanDerWaalsContact C-N 3.3Å; F146-V152 HydrophobicContact CB-CG2 4.37Å; F146-V152 HydrophobicContact CD1-CG1 4.45Å; F146-V152 HydrophobicContact CD1-CG2 3.71Å; F146-V152 HydrophobicContact CE1-CG2 4.43Å; F146-V152 HydrophobicContact CG-CG2 4.33Å; F146-K158 HydrophobicContact CE1-CB 4.5Å; F146-M161 HydrophobicContact CE1-CB 4.45Å; F146-M161 HydrophobicContact CZ-CB 4.36Å; F146-M161 HydrophobicContact CZ-CE 3.99Å; F146-M161 HydrophobicContact CZ-SD 3.96Å; F146-V254 HydrophobicContact CB-CG1 4.18Å; F146-V254 WeakPolarHBondContact O-CG1 3.42Å; F146-L257 HydrophobicContact CD1-CD2 3.44Å; F146-L257 VanDerWaalsContact CD1-CD2 3.44Å; F146-L257 HydrophobicContact CD1-CG 4.4Å; F146-L257 HydrophobicContact CE1-CD2 3.63Å; F146-L257 HydrophobicContact CG-CD2 4.15Å; F146-L257 HydrophobicContact CZ-CD2 4.47Å; F146-A258 HydrophobicContact CB-CB 4.33Å; F146-I261 HydrophobicContact CB-CD1 4.49Å; F146-I261 HydrophobicContact CD2-CD1 3.52Å; F146-I261 HydrophobicContact CE2-CD1 3.86Å; F146-I261 HydrophobicContact CG-CD1 4.06Å; F146-F276 HydrophobicContact CE2-CE2 4.2Å; F146-F276 HydrophobicContact CE2-CZ 4.19Å; F146-F276 HydrophobicContact CZ-CE2 4.42Å; F146-F276 AromaticContact CZ-CZ 3.95Å; F146-F276 HydrophobicContact CZ-CZ 3.95Å
147	D	82.7	Confident	83.9	Confident	96 Å²	96	40.5 Å²	40.5	51%	0.513	23%	0.233	S	C	.	.	S	Bend	trans	-85.9	-21.2	-174.9	-76.1	-19.5	0	0	0	110.5	S144	S144-D147 WeakPolarHBondContact CA-OD1 3.44Å; S144-D147 WeakPolarHBondContact CA-OD2 1.9Å; S144-D147 WeakPolarHBondContact CB-OD2 3.24Å; S144-D147 WeakPolarHBondContact O-CB 3.26Å; S144-D147 PolarHBondContact O-N 3.44Å
148	S	87.8	Confident	84.7	Confident	47 Å²	47	37.3 Å²	37.3	33%	0.329	21%	0.214	S	C	.	.			trans	-131.3	132.6	-176.9	173.5	0	0	0	0	109.5	F146 T150 S151 V152	F146-S148 VanDerWaalsContact C-N 3.3Å; S148-T150 PolarHBondContact O-N 3.36Å; S148-T150 PolarHBondContact OG-N 2.58Å; S148-S151 PolarHBondContact O-N 3.42Å; S148-V152 VanDerWaalsContact O-CG2 3.26Å; S148-V152 WeakPolarHBondContact O-CG2 3.44Å; S148-V152 PolarHBondContact O-N 3.05Å
149	A	89.3	Confident	85.7	Confident	3 Å²	3	33.2 Å²	33.2	3%	0.025	19%	0.192	C	C	.	.	H	α-helix	trans	-61.1	-33.3	178.7	0	0	0	0	0	111	S151 V152 L153 I250 E251 V254	A149-S151 PolarHBondContact O-N 3.22Å; A149-V152 PolarHBondContact O-N 2.32Å; A149-L153 WeakPolarHBondContact O-CB 3.28Å; A149-L153 VanDerWaalsContact O-CG 3.25Å; A149-L153 WeakPolarHBondContact O-CG 3.47Å; A149-L153 PolarHBondContact O-N 3.32Å; A149-I250 HydrophobicContact CB-CB 4.39Å; A149-I250 HydrophobicContact CB-CG2 3.83Å; A149-E251 HydrophobicContact CB-CB 4.27Å; A149-V254 HydrophobicContact CB-CG2 4.19Å
150	T	87.6	Confident	86.4	Confident	49 Å²	49	32.7 Å²	32.7	30%	0.301	19%	0.189	S	C	.	.	H	α-helix	trans	-68.4	-42	-179.2	-54.5	0	0	0	0	110.4	S148 V152 L153 N154	S148-T150 PolarHBondContact O-N 3.36Å; S148-T150 PolarHBondContact OG-N 2.58Å; T150-V152 PolarHBondContact O-N 3.35Å; T150-L153 PolarHBondContact O-N 2.85Å; T150-N154 WeakPolarHBondContact O-CB 2.83Å; T150-N154 PolarHBondContact O-N 3.29Å; T150-N154 VanDerWaalsContact O-N 3.08Å; T150-N154 PolarHBondContact O-ND2 3.12Å; T150-N154 VanDerWaalsContact O-ND2 3.09Å
151	S	85.4	Confident	86.7	Confident	51 Å²	51	31.7 Å²	31.7	36%	0.357	18%	0.177	S	C	.	.	H	α-helix	trans	-64.9	-39.8	179.1	177.5	0	0	0	0	111.1	S148 A149 N154 S155	S148-S151 PolarHBondContact O-N 3.42Å; A149-S151 PolarHBondContact O-N 3.22Å; S151-N154 PolarHBondContact O-N 2.42Å; S151-S155 PolarHBondContact O-N 2.5Å
152	V	89.6	Confident	87.3	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-68.5	-41.6	-178	171.6	0	0	0	0	109.8	F146 S148 A149 T150 N154 S155 K158 C159 F162 V254	F146-V152 HydrophobicContact CB-CG2 4.37Å; F146-V152 HydrophobicContact CD1-CG1 4.45Å; F146-V152 HydrophobicContact CD1-CG2 3.71Å; F146-V152 HydrophobicContact CE1-CG2 4.43Å; F146-V152 HydrophobicContact CG-CG2 4.33Å; S148-V152 VanDerWaalsContact O-CG2 3.26Å; S148-V152 WeakPolarHBondContact O-CG2 3.44Å; S148-V152 PolarHBondContact O-N 3.05Å; A149-V152 PolarHBondContact O-N 2.32Å; T150-V152 PolarHBondContact O-N 3.35Å; V152-N154 VanDerWaalsContact C-N 3.28Å; V152-N154 PolarHBondContact O-N 3.12Å; V152-S155 PolarHBondContact O-N 2.68Å; V152-K158 HydrophobicContact CG1-CB 4.06Å; V152-C159 PolarHBondContact O-N 2.52Å; V152-F162 HydrophobicContact CG1-CB 3.91Å; V152-F162 HydrophobicContact CG1-CG 4.4Å; V152-V254 HydrophobicContact CG2-CG1 4.11Å
153	L	91.1	Very high	88	Confident	4 Å²	4	23.9 Å²	23.9	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-78.1	0	-174.6	-69.7	175	0	0	0	110.6	A149 T150 T176 H179 L247 I250 Y347	A149-L153 WeakPolarHBondContact O-CB 3.28Å; A149-L153 VanDerWaalsContact O-CG 3.25Å; A149-L153 WeakPolarHBondContact O-CG 3.47Å; A149-L153 PolarHBondContact O-N 3.32Å; T150-L153 PolarHBondContact O-N 2.85Å; L153-T176 HydrophobicContact CD2-CG2 3.74Å; L153-H179 WeakPolarHBondContact CD1-CD2 3.23Å; L153-L247 HydrophobicContact CD1-CD2 4.23Å; L153-I250 HydrophobicContact CD1-CD1 4.08Å; L153-I250 HydrophobicContact CD1-CG2 4.22Å; L153-Y347 VanDerWaalsContact O-CE1 3.27Å; L153-Y347 WeakPolarHBondContact O-CE1 3.23Å; L153-Y347 VanDerWaalsContact O-CZ 3.3Å; L153-Y347 PolarHBondContact O-OH 2.55Å
154	N	88.7	Confident	88.2	Confident	78 Å²	78	24.7 Å²	24.7	42%	0.417	14%	0.144	S	C	.	.	H	α-helix		0	-19.9	0	-77.6	-20.5	0	0	0	110.9	T150 S151 V152	T150-N154 WeakPolarHBondContact O-CB 2.83Å; T150-N154 PolarHBondContact O-N 3.29Å; T150-N154 VanDerWaalsContact O-N 3.08Å; T150-N154 PolarHBondContact O-ND2 3.12Å; T150-N154 VanDerWaalsContact O-ND2 3.09Å; S151-N154 PolarHBondContact O-N 2.42Å; V152-N154 VanDerWaalsContact C-N 3.28Å; V152-N154 PolarHBondContact O-N 3.12Å
155	S	87.6	Confident	88.4	Confident	14 Å²	14	22.6 Å²	22.6	10%	0.098	13%	0.128	C	C	.	.	S	Bend	trans	-103.5	0	177.3	170.7	0	0	0	0	110.1	S151 V152 A157 K158 C159	S151-S155 PolarHBondContact O-N 2.5Å; V152-S155 PolarHBondContact O-N 2.68Å; S155-A157 PolarHBondContact O-N 3.45Å; S155-K158 PolarHBondContact O-N 3.46Å; S155-K158 PolarHBondContact OG-N 3.17Å; S155-C159 WeakPolarHBondContact O-CB 1.43Å; S155-C159 PolarHBondContact O-N 3.03Å
156	P	89.6	Confident	88.7	Confident	8 Å²	8	21.1 Å²	21.1	5%	0.052	12%	0.121	C	C	.	.	H	α-helix		0	-31.5	0	17.2	-26.1	0	0	0	111.9	A160 E285 L286 F289 Y347	P156-A160 WeakPolarHBondContact O-CB 1.22Å; P156-A160 PolarHBondContact O-N 3.04Å; P156-E285 HydrophobicContact CB-CB 4.33Å; P156-E285 WeakPolarHBondContact CD-OE2 1.66Å; P156-E285 HydrophobicContact CG-CB 3.31Å; P156-E285 HydrophobicContact CG-CG 4.44Å; P156-E285 WeakPolarHBondContact CG-OE2 3.09Å; P156-L286 HydrophobicContact CB-CD1 4.46Å; P156-F289 HydrophobicContact CB-CB 4.26Å; P156-F289 VanDerWaalsContact O-CD2 3.29Å; P156-F289 WeakPolarHBondContact O-CD2 3.16Å; P156-Y347 HydrophobicContact CB-CD1 4.14Å; P156-Y347 HydrophobicContact CB-CD2 4.39Å; P156-Y347 HydrophobicContact CB-CG 4.05Å
157	A	86.7	Confident	88.8	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-73.2	-45.6	-178.7	0	0	0	0	0	110.3	S155 C159 A160 M161 F279 E285 C288	S155-A157 PolarHBondContact O-N 3.45Å; A157-C159 VanDerWaalsContact C-N 3.29Å; A157-A160 WeakPolarHBondContact O-CB 1.92Å; A157-A160 PolarHBondContact O-N 3.49Å; A157-M161 WeakPolarHBondContact O-CG 1.17Å; A157-M161 PolarHBondContact O-N 2.99Å; A157-M161 VanDerWaalsContact O-N 3.16Å; A157-F279 HydrophobicContact CB-CE2 4.05Å; A157-F279 HydrophobicContact CB-CZ 4.35Å; A157-E285 HydrophobicContact CB-CB 4.3Å; A157-E285 HydrophobicContact CB-CG 4.35Å; A157-C288 HydrophobicContact CB-CB 4.28Å
158	K	89.2	Confident	88.9	Confident	38 Å²	38	19.7 Å²	19.7	17%	0.165	12%	0.119	C	C	.	.	H	α-helix	trans	-66.4	-40.1	179.8	-67.6	178.8	-175.1	176.6	0	111.1	F146 V152 S155 A160 M161 F162 F276	F146-K158 HydrophobicContact CE1-CB 4.5Å; V152-K158 HydrophobicContact CG1-CB 4.06Å; S155-K158 PolarHBondContact O-N 3.46Å; S155-K158 PolarHBondContact OG-N 3.17Å; K158-A160 VanDerWaalsContact C-N 3.27Å; K158-M161 WeakPolarHBondContact O-CB 2.93Å; K158-M161 PolarHBondContact O-N 3.26Å; K158-F162 PolarHBondContact O-N 2.98Å; K158-F276 HydrophobicContact CG-CD1 4.14Å; K158-F276 HydrophobicContact CG-CE1 3.94Å
159	C	91.8	Very high	88.7	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.7	0	178.4	-175.5	0	0	0	0	110.7	V152 S155 A157 M161 F162 I163 Y347	V152-C159 PolarHBondContact O-N 2.52Å; S155-C159 WeakPolarHBondContact O-CB 1.43Å; S155-C159 PolarHBondContact O-N 3.03Å; A157-C159 VanDerWaalsContact C-N 3.29Å; C159-M161 PolarHBondContact O-N 3.32Å; C159-F162 WeakPolarHBondContact O-CB 0.42Å; C159-F162 PolarHBondContact O-N 3.08Å; C159-I163 WeakPolarHBondContact O-CG1 3.41Å; C159-I163 PolarHBondContact O-N 3.35Å; C159-Y347 PolarHBondContact SG-OH 3.32Å; C159-Y347 VanDerWaalsContact SG-OH 3.34Å
160	A	90	Very high	88.4	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.146	C	C	.	.	H	α-helix		0	-32.2	0	0	0	0	0	0	110.4	P156 A157 K158 F162 I163 D164 F289 R292	P156-A160 WeakPolarHBondContact O-CB 1.22Å; P156-A160 PolarHBondContact O-N 3.04Å; A157-A160 WeakPolarHBondContact O-CB 1.92Å; A157-A160 PolarHBondContact O-N 3.49Å; K158-A160 VanDerWaalsContact C-N 3.27Å; A160-F162 VanDerWaalsContact C-N 3.35Å; A160-I163 PolarHBondContact O-N 3.05Å; A160-D164 VanDerWaalsContact O-CB 3.27Å; A160-D164 WeakPolarHBondContact O-CB 3.42Å; A160-D164 PolarHBondContact O-N 2.93Å; A160-F289 HydrophobicContact CB-CB 4.24Å; A160-F289 HydrophobicContact CB-CD2 3.72Å; A160-F289 HydrophobicContact CB-CE2 4.48Å; A160-F289 HydrophobicContact CB-CG 4.25Å; A160-R292 HydrophobicContact CB-CB 4.24Å
161	M	88.2	Confident	88.3	Confident	23 Å²	23	28.2 Å²	28.2	11%	0.113	14%	0.144	C	C	.	.	H	α-helix	trans	-72.8	-44.2	178.3	-71.9	-172.5	63.7	0	0	110.5	F146 A157 K158 C159 I163 D164 Y165 F276	F146-M161 HydrophobicContact CE1-CB 4.45Å; F146-M161 HydrophobicContact CZ-CB 4.36Å; F146-M161 HydrophobicContact CZ-CE 3.99Å; F146-M161 HydrophobicContact CZ-SD 3.96Å; A157-M161 WeakPolarHBondContact O-CG 1.17Å; A157-M161 PolarHBondContact O-N 2.99Å; A157-M161 VanDerWaalsContact O-N 3.16Å; K158-M161 WeakPolarHBondContact O-CB 2.93Å; K158-M161 PolarHBondContact O-N 3.26Å; C159-M161 PolarHBondContact O-N 3.32Å; M161-I163 VanDerWaalsContact C-N 3.3Å; M161-D164 PolarHBondContact O-N 2.75Å; M161-Y165 WeakPolarHBondContact O-CB 3.2Å; M161-Y165 PolarHBondContact O-N 3.19Å; M161-F276 HydrophobicContact CE-CE2 4.41Å; M161-F276 HydrophobicContact CE-CZ 3.75Å; M161-F276 HydrophobicContact CG-CE1 4.46Å; M161-F276 HydrophobicContact CG-CZ 4.27Å; M161-F276 HydrophobicContact SD-CE1 3.23Å; M161-F276 WeakPolarHBondContact SD-CE1 3.48Å; M161-F276 HydrophobicContact SD-CE2 3.75Å; M161-F276 HydrophobicContact SD-CZ 2.63Å; M161-F276 WeakPolarHBondContact SD-CZ 3.19Å
162	F	91.6	Very high	88.4	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61	0	179.5	179.1	-125.9	0	0	0	111.3	V152 K158 C159 A160 D164 Y165 L166 T176 I250 Q253 V254 L257	V152-F162 HydrophobicContact CG1-CB 3.91Å; V152-F162 HydrophobicContact CG1-CG 4.4Å; K158-F162 PolarHBondContact O-N 2.98Å; C159-F162 WeakPolarHBondContact O-CB 0.42Å; C159-F162 PolarHBondContact O-N 3.08Å; A160-F162 VanDerWaalsContact C-N 3.35Å; F162-D164 VanDerWaalsContact C-N 3.33Å; F162-Y165 VanDerWaalsContact O-CB 3.28Å; F162-Y165 WeakPolarHBondContact O-CB 3.41Å; F162-Y165 PolarHBondContact O-N 2.9Å; F162-L166 HydrophobicContact CD1-CD1 4.21Å; F162-L166 HydrophobicContact CE1-CD1 3.78Å; F162-L166 HydrophobicContact CE1-CG 4.43Å; F162-L166 HydrophobicContact CE2-CD1 4.45Å; F162-L166 HydrophobicContact CE2-CD2 4.13Å; F162-L166 HydrophobicContact CE2-CG 4.24Å; F162-L166 HydrophobicContact CZ-CD1 3.91Å; F162-L166 HydrophobicContact CZ-CD2 4.13Å; F162-L166 HydrophobicContact CZ-CG 4.19Å; F162-L166 VanDerWaalsContact O-CG 3.31Å; F162-L166 WeakPolarHBondContact O-CG 3.38Å; F162-L166 PolarHBondContact O-N 2.96Å; F162-T176 HydrophobicContact CD1-CG2 4.08Å; F162-T176 HydrophobicContact CE1-CG2 3.98Å; F162-T176 WeakPolarHBondContact CE1-OG1 2.96Å; F162-I250 HydrophobicContact CE1-CG2 3.98Å; F162-I250 HydrophobicContact CZ-CG2 4.21Å; F162-Q253 HydrophobicContact CE2-CB 3.91Å; F162-Q253 HydrophobicContact CZ-CB 3.66Å; F162-V254 HydrophobicContact CD2-CG2 4.15Å; F162-V254 HydrophobicContact CE1-CG2 4.28Å; F162-V254 HydrophobicContact CE2-CG2 3.76Å; F162-V254 HydrophobicContact CZ-CG2 3.83Å; F162-L257 HydrophobicContact CD2-CD2 4.04Å
163	I	91.7	Very high	88.4	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.136	C	C	.	.	H	α-helix		0	-36.5	0	-70.5	176.9	0	0	0	109.3	C159 A160 M161 Y165 L166 F167 T176 F289 L293 L340	C159-I163 WeakPolarHBondContact O-CG1 3.41Å; C159-I163 PolarHBondContact O-N 3.35Å; A160-I163 PolarHBondContact O-N 3.05Å; M161-I163 VanDerWaalsContact C-N 3.3Å; I163-Y165 PolarHBondContact O-N 3.3Å; I163-L166 PolarHBondContact O-N 3.45Å; I163-F167 HydrophobicContact CG2-CD2 4.02Å; I163-F167 HydrophobicContact CG2-CE1 4.33Å; I163-F167 HydrophobicContact CG2-CE2 3.63Å; I163-F167 HydrophobicContact CG2-CZ 3.8Å; I163-F167 PolarHBondContact O-N 3.46Å; I163-T176 HydrophobicContact CG1-CG2 4.38Å; I163-F289 HydrophobicContact CD1-CE2 4.38Å; I163-L293 HydrophobicContact CB-CD1 4.49Å; I163-L293 HydrophobicContact CB-CD2 4.23Å; I163-L293 HydrophobicContact CD1-CD1 4.22Å; I163-L293 HydrophobicContact CG2-CD1 4.29Å; I163-L293 HydrophobicContact CG2-CD2 3.75Å; I163-L340 HydrophobicContact CD1-CD2 4.39Å; I163-L340 HydrophobicContact CG2-CD2 4.46Å
164	D	88.9	Confident	88.4	Confident	21 Å²	21	27.2 Å²	27.2	11%	0.112	14%	0.135	C	C	.	.	H	α-helix	trans	-62.7	-39.2	176.6	-174.3	49.3	0	0	0	110.2	A160 M161 F162 L166 F167 S168 Y296	A160-D164 VanDerWaalsContact O-CB 3.27Å; A160-D164 WeakPolarHBondContact O-CB 3.42Å; A160-D164 PolarHBondContact O-N 2.93Å; M161-D164 PolarHBondContact O-N 2.75Å; F162-D164 VanDerWaalsContact C-N 3.33Å; D164-L166 VanDerWaalsContact C-N 3.31Å; D164-F167 PolarHBondContact O-N 3.21Å; D164-S168 WeakPolarHBondContact O-CB 2.71Å; D164-S168 PolarHBondContact O-N 3.42Å; D164-S168 PolarHBondContact O-OG 3.33Å; D164-Y296 WeakPolarHBondContact OD1-CE2 3.06Å; D164-Y296 PolarHBondContact OD1-OH 3.42Å
165	Y	89	Confident	88.5	Confident	7 Å²	7	25.7 Å²	25.7	3%	0.027	12%	0.123	C	C	.	.	H	α-helix	trans	-63.6	-42.7	176.5	167.6	-103.5	0	0	0	110.9	M161 F162 I163 F167 S168 H169 R171 L257 W268	M161-Y165 WeakPolarHBondContact O-CB 3.2Å; M161-Y165 PolarHBondContact O-N 3.19Å; F162-Y165 VanDerWaalsContact O-CB 3.28Å; F162-Y165 WeakPolarHBondContact O-CB 3.41Å; F162-Y165 PolarHBondContact O-N 2.9Å; I163-Y165 PolarHBondContact O-N 3.3Å; Y165-F167 VanDerWaalsContact C-N 3.28Å; Y165-F167 PolarHBondContact O-N 2.95Å; Y165-S168 PolarHBondContact O-N 3.25Å; Y165-H169 AromaticContact CD2-CD2 2.95Å; Y165-H169 WeakPolarHBondContact CD2-CD2 3.01Å; Y165-H169 AromaticContact CD2-NE2 3.37Å; Y165-H169 WeakPolarHBondContact CD2-NE2 3.41Å; Y165-H169 AromaticContact CE2-CD2 2.92Å; Y165-H169 WeakPolarHBondContact CE2-CD2 3.23Å; Y165-H169 AromaticContact CE2-CE1 4Å; Y165-H169 AromaticContact CE2-CG 3.72Å; Y165-H169 AromaticContact CE2-NE2 3.15Å; Y165-H169 WeakPolarHBondContact CE2-NE2 3.42Å; Y165-H169 AromaticContact CG-CD2 3.83Å; Y165-H169 AromaticContact CZ-CD2 3.77Å; Y165-H169 WeakPolarHBondContact O-CB 3.38Å; Y165-H169 PolarHBondContact O-CD2 3.27Å; Y165-H169 VanDerWaalsContact O-CD2 3.23Å; Y165-H169 PolarHBondContact O-N 2.68Å; Y165-R171 PolarHBondContact OH-NH1 3.41Å; Y165-R171 PolarHBondContact OH-NH2 3.4Å; Y165-R171 VanDerWaalsContact OH-NH2 3.12Å; Y165-L257 HydrophobicContact CD1-CB 4.31Å; Y165-L257 HydrophobicContact CD1-CD1 4.21Å; Y165-L257 HydrophobicContact CD2-CD1 3.61Å; Y165-L257 HydrophobicContact CE1-CB 4.2Å; Y165-L257 HydrophobicContact CE2-CD1 3.98Å; Y165-L257 HydrophobicContact CG-CD1 3.75Å; Y165-W268 HydrophobicContact CD2-CB 4.42Å
166	L	90.1	Very high	88.8	Confident	1 Å²	1	25.1 Å²	25.1	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-63.6	0	178.9	-66.5	178.1	0	0	0	111.3	F162 I163 D164 K170 R171 P173 Q253	F162-L166 HydrophobicContact CD1-CD1 4.21Å; F162-L166 HydrophobicContact CE1-CD1 3.78Å; F162-L166 HydrophobicContact CE1-CG 4.43Å; F162-L166 HydrophobicContact CE2-CD1 4.45Å; F162-L166 HydrophobicContact CE2-CD2 4.13Å; F162-L166 HydrophobicContact CE2-CG 4.24Å; F162-L166 HydrophobicContact CZ-CD1 3.91Å; F162-L166 HydrophobicContact CZ-CD2 4.13Å; F162-L166 HydrophobicContact CZ-CG 4.19Å; F162-L166 VanDerWaalsContact O-CG 3.31Å; F162-L166 WeakPolarHBondContact O-CG 3.38Å; F162-L166 PolarHBondContact O-N 2.96Å; I163-L166 PolarHBondContact O-N 3.45Å; D164-L166 VanDerWaalsContact C-N 3.31Å; L166-K170 PolarHBondContact O-N 2.83Å; L166-R171 HydrophobicContact CD2-CB 3.81Å; L166-R171 PolarHBondContact O-N 3.45Å; L166-P173 HydrophobicContact CD1-CB 4.27Å; L166-Q253 HydrophobicContact CD2-CB 4.46Å
167	F	89	Confident	89	Confident	7 Å²	7	24.8 Å²	24.8	3%	0.031	12%	0.117	C	C	.	.	H	α-helix		0	-34.9	0	-76.2	-11.1	0	0	0	110.3	I163 D164 Y165 H169 K170 P173 Y296 I317 L320 I336 L340	I163-F167 HydrophobicContact CG2-CD2 4.02Å; I163-F167 HydrophobicContact CG2-CE1 4.33Å; I163-F167 HydrophobicContact CG2-CE2 3.63Å; I163-F167 HydrophobicContact CG2-CZ 3.8Å; I163-F167 PolarHBondContact O-N 3.46Å; D164-F167 PolarHBondContact O-N 3.21Å; Y165-F167 VanDerWaalsContact C-N 3.28Å; Y165-F167 PolarHBondContact O-N 2.95Å; F167-H169 VanDerWaalsContact C-N 3.29Å; F167-H169 PolarHBondContact O-N 2.82Å; F167-K170 PolarHBondContact O-N 3.36Å; F167-P173 HydrophobicContact CD1-CG 4.4Å; F167-P173 HydrophobicContact CE1-CB 3.85Å; F167-P173 HydrophobicContact CE1-CG 3.6Å; F167-Y296 HydrophobicContact CB-CE1 4.11Å; F167-Y296 HydrophobicContact CB-CE2 4.36Å; F167-Y296 HydrophobicContact CD2-CD1 4.06Å; F167-Y296 AromaticContact CD2-CD2 3.7Å; F167-Y296 HydrophobicContact CD2-CD2 3.7Å; F167-Y296 HydrophobicContact CD2-CE1 4.36Å; F167-Y296 HydrophobicContact CD2-CE2 4.03Å; F167-Y296 AromaticContact CD2-CG 3.71Å; F167-Y296 HydrophobicContact CD2-CG 3.71Å; F167-Y296 HydrophobicContact CE2-CD2 4.36Å; F167-Y296 HydrophobicContact CE2-CG 4.26Å; F167-I317 HydrophobicContact CD1-CG1 4.41Å; F167-I317 HydrophobicContact CD1-CG2 4.25Å; F167-I317 HydrophobicContact CD2-CD1 4.12Å; F167-I317 HydrophobicContact CE1-CG2 3.96Å; F167-I317 HydrophobicContact CE2-CD1 4.45Å; F167-I317 HydrophobicContact CG-CD1 4.23Å; F167-I317 HydrophobicContact CG-CG1 4.31Å; F167-I317 HydrophobicContact CZ-CG2 4.27Å; F167-L320 HydrophobicContact CD1-CD1 4.12Å; F167-I336 HydrophobicContact CZ-CG2 4.35Å; F167-L340 HydrophobicContact CE2-CD1 4.49Å
168	S	84.1	Confident	89.2	Confident	62 Å²	62	24.8 Å²	24.8	43%	0.434	12%	0.117	S	C	.	.	H	α-helix	trans	-76.1	-26.4	-175.3	-66.3	0	0	0	0	110.4	D164 Y165 K170 Y296	D164-S168 WeakPolarHBondContact O-CB 2.71Å; D164-S168 PolarHBondContact O-N 3.42Å; D164-S168 PolarHBondContact O-OG 3.33Å; Y165-S168 PolarHBondContact O-N 3.25Å; S168-K170 VanDerWaalsContact C-N 3.34Å; S168-Y296 PolarHBondContact OG-OH 3.34Å
169	H	83.6	Confident	89.4	Confident	56 Å²	56	23.8 Å²	23.8	26%	0.259	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	15.9	-176.9	-74.7	-81.6	0	0	0	110.2	Y165 F167 R171 T267	Y165-H169 AromaticContact CD2-CD2 2.95Å; Y165-H169 WeakPolarHBondContact CD2-CD2 3.01Å; Y165-H169 AromaticContact CD2-NE2 3.37Å; Y165-H169 WeakPolarHBondContact CD2-NE2 3.41Å; Y165-H169 AromaticContact CE2-CD2 2.92Å; Y165-H169 WeakPolarHBondContact CE2-CD2 3.23Å; Y165-H169 AromaticContact CE2-CE1 4Å; Y165-H169 AromaticContact CE2-CG 3.72Å; Y165-H169 AromaticContact CE2-NE2 3.15Å; Y165-H169 WeakPolarHBondContact CE2-NE2 3.42Å; Y165-H169 AromaticContact CG-CD2 3.83Å; Y165-H169 AromaticContact CZ-CD2 3.77Å; Y165-H169 WeakPolarHBondContact O-CB 3.38Å; Y165-H169 PolarHBondContact O-CD2 3.27Å; Y165-H169 VanDerWaalsContact O-CD2 3.23Å; Y165-H169 PolarHBondContact O-N 2.68Å; F167-H169 VanDerWaalsContact C-N 3.29Å; F167-H169 PolarHBondContact O-N 2.82Å; H169-R171 HydrophobicContact CB-CG 4.12Å; H169-R171 PolarHBondContact O-N 3.32Å; H169-R171 VanDerWaalsContact O-N 3.11Å; H169-T267 WeakPolarHBondContact CE1-CB 3.27Å; H169-T267 VanDerWaalsContact CE1-CG2 3.47Å; H169-T267 WeakPolarHBondContact CE1-CG2 2.9Å; H169-T267 PolarHBondContact CE1-OG1 3.49Å; H169-T267 VanDerWaalsContact CE1-OG1 3.24Å; H169-T267 WeakPolarHBondContact NE2-CB 3.09Å; H169-T267 PolarHBondContact NE2-OG1 2.91Å
170	K	84	Confident	89.4	Confident	156 Å²	156	23.9 Å²	23.9	68%	0.678	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	39.4	175.4	-62.5	-176.5	-177.6	-175.8	0	111.5	L166 F167 S168 L320	L166-K170 PolarHBondContact O-N 2.83Å; F167-K170 PolarHBondContact O-N 3.36Å; S168-K170 VanDerWaalsContact C-N 3.34Å; K170-L320 HydrophobicContact CB-CD2 3.37Å; K170-L320 HydrophobicContact CG-CD2 4.24Å; K170-L320 WeakPolarHBondContact O-CD2 3.35Å
171	R	85.4	Confident	89.5	Confident	65 Å²	65	24 Å²	24	25%	0.245	11%	0.114	C	C	.	.			trans	-98.3	154.8	174.4	-67.8	-171.8	-179.5	-167	-0.4	110.5	Y165 L166 H169 P173 K256 L320	Y165-R171 PolarHBondContact OH-NH1 3.41Å; Y165-R171 PolarHBondContact OH-NH2 3.4Å; Y165-R171 VanDerWaalsContact OH-NH2 3.12Å; L166-R171 HydrophobicContact CD2-CB 3.81Å; L166-R171 PolarHBondContact O-N 3.45Å; H169-R171 HydrophobicContact CB-CG 4.12Å; H169-R171 PolarHBondContact O-N 3.32Å; H169-R171 VanDerWaalsContact O-N 3.11Å; R171-P173 VanDerWaalsContact O-CD 3.24Å; R171-P173 WeakPolarHBondContact O-CD 3.31Å; R171-K256 VanDerWaalsContact CZ-CD 3.41Å; R171-L320 WeakPolarHBondContact O-CD1 2.91Å
172	D	86.6	Confident	89.6	Confident	33 Å²	33	22.9 Å²	22.9	18%	0.176	11%	0.109	C	C	.	.			trans	-72.8	0	-173.6	-172.6	1.4	0	0	0	110.1	T174	D172-T174 VanDerWaalsContact C-N 3.3Å; D172-T174 PolarHBondContact O-N 2.94Å; D172-T174 WeakPolarHBondContact OD1-CB 3.35Å; D172-T174 PolarHBondContact OD1-N 3.23Å; D172-T174 VanDerWaalsContact OD1-N 3.07Å; D172-T174 PolarHBondContact OD1-OG1 3.37Å; D172-T174 PolarHBondContact OD2-OG1 2.7Å
173	P	90.3	Very high	89.5	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.006	12%	0.122	C	C	.	.				0	8	0	29.8	-34.8	0	0	0	112.1	L166 F167 R171 W175 T176 L177	L166-P173 HydrophobicContact CD1-CB 4.27Å; F167-P173 HydrophobicContact CD1-CG 4.4Å; F167-P173 HydrophobicContact CE1-CB 3.85Å; F167-P173 HydrophobicContact CE1-CG 3.6Å; R171-P173 VanDerWaalsContact O-CD 3.24Å; R171-P173 WeakPolarHBondContact O-CD 3.31Å; P173-W175 PolarHBondContact O-N 3.23Å; P173-T176 PolarHBondContact O-N 3.39Å; P173-L177 HydrophobicContact CB-CD1 4.26Å; P173-L177 HydrophobicContact CB-CG 4.35Å; P173-L177 HydrophobicContact CG-CD1 4.33Å; P173-L177 VanDerWaalsContact O-CG 3.24Å; P173-L177 WeakPolarHBondContact O-CG 2.88Å; P173-L177 PolarHBondContact O-N 3.26Å
174	T	91.1	Very high	89.3	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.9	0	-167.7	-61.1	0	0	0	0	110	D172 L177 F178 F210 L217 L219	D172-T174 VanDerWaalsContact C-N 3.3Å; D172-T174 PolarHBondContact O-N 2.94Å; D172-T174 WeakPolarHBondContact OD1-CB 3.35Å; D172-T174 PolarHBondContact OD1-N 3.23Å; D172-T174 VanDerWaalsContact OD1-N 3.07Å; D172-T174 PolarHBondContact OD1-OG1 3.37Å; D172-T174 PolarHBondContact OD2-OG1 2.7Å; T174-L177 PolarHBondContact O-N 2.43Å; T174-F178 PolarHBondContact O-N 3.14Å; T174-F210 HydrophobicContact CG2-CD1 3.99Å; T174-F210 HydrophobicContact CG2-CE1 4.35Å; T174-L217 HydrophobicContact CG2-CB 3.98Å; T174-L217 WeakPolarHBondContact CG2-O 2.93Å; T174-L219 HydrophobicContact CG2-CD2 3.28Å; T174-L219 HydrophobicContact CG2-CG 3.57Å
175	W	91.1	Very high	89.3	Confident	46 Å²	46	26 Å²	26	17%	0.174	12%	0.122	C	C	.	.	H	α-helix		0	0	0	-58	90.6	0	0	0	110.4	P173 F178 H179 L219 D220 C246 Q249 I250	P173-W175 PolarHBondContact O-N 3.23Å; W175-F178 PolarHBondContact O-N 2.94Å; W175-H179 PolarHBondContact O-N 3.27Å; W175-H179 VanDerWaalsContact O-N 3.1Å; W175-L219 HydrophobicContact CD2-CD2 3.88Å; W175-L219 HydrophobicContact CE3-CD2 3.91Å; W175-L219 HydrophobicContact CG-CD2 4.24Å; W175-L219 HydrophobicContact CZ3-CD2 4.34Å; W175-D220 WeakPolarHBondContact CH2-O 3.27Å; W175-C246 HydrophobicContact CE3-CB 3.92Å; W175-Q249 HydrophobicContact CD2-CB 3.76Å; W175-Q249 HydrophobicContact CD2-CG 3.97Å; W175-Q249 HydrophobicContact CE3-CB 3.84Å; W175-Q249 HydrophobicContact CE3-CG 3.79Å; W175-Q249 HydrophobicContact CG-CB 4.09Å; W175-Q249 HydrophobicContact CH2-CG 3.79Å; W175-Q249 HydrophobicContact CZ2-CG 3.98Å; W175-Q249 HydrophobicContact CZ3-CB 4.29Å; W175-Q249 HydrophobicContact CZ3-CG 3.69Å; W175-I250 HydrophobicContact CB-CD1 4.49Å; W175-I250 HydrophobicContact CB-CG1 3.86Å
176	T	92.7	Very high	89.1	Confident	3 Å²	3	27.8 Å²	27.8	2%	0.018	13%	0.13	C	C	.	.	H	α-helix		0	-39	0	-56.6	0	0	0	0	110.6	L153 F162 I163 P173 H179 I180	L153-T176 HydrophobicContact CD2-CG2 3.74Å; F162-T176 HydrophobicContact CD1-CG2 4.08Å; F162-T176 HydrophobicContact CE1-CG2 3.98Å; F162-T176 WeakPolarHBondContact CE1-OG1 2.96Å; I163-T176 HydrophobicContact CG1-CG2 4.38Å; P173-T176 PolarHBondContact O-N 3.39Å; T176-H179 PolarHBondContact O-N 2.82Å; T176-I180 HydrophobicContact CG2-CD1 4.14Å; T176-I180 WeakPolarHBondContact O-CG1 3.13Å; T176-I180 PolarHBondContact O-N 3.23Å
177	L	93.1	Very high	88.8	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-70.7	0	-178.6	-68.6	179.4	0	0	0	110.7	P173 T174 I180 V181 F210 L217 C339 L340	P173-L177 HydrophobicContact CB-CD1 4.26Å; P173-L177 HydrophobicContact CB-CG 4.35Å; P173-L177 HydrophobicContact CG-CD1 4.33Å; P173-L177 VanDerWaalsContact O-CG 3.24Å; P173-L177 WeakPolarHBondContact O-CG 2.88Å; P173-L177 PolarHBondContact O-N 3.26Å; T174-L177 PolarHBondContact O-N 2.43Å; L177-I180 PolarHBondContact O-N 3.14Å; L177-V181 WeakPolarHBondContact O-CB 3.39Å; L177-V181 WeakPolarHBondContact O-CG2 2.85Å; L177-V181 PolarHBondContact O-N 2.78Å; L177-F210 HydrophobicContact CB-CE1 4.36Å; L177-F210 HydrophobicContact CB-CZ 4.41Å; L177-L217 HydrophobicContact CD1-CD1 4.23Å; L177-C339 HydrophobicContact CB-CB 4.06Å; L177-C339 HydrophobicContact CD1-CB 3.97Å; L177-C339 HydrophobicContact CD2-CB 3.88Å; L177-C339 HydrophobicContact CG-CB 4.2Å; L177-L340 HydrophobicContact CD2-CD2 4.27Å
178	F	92.8	Very high	88.2	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.141	C	C	.	.	H	α-helix		0	-42	0	174.4	-102	0	0	0	110.3	T174 W175 I180 V181 N182 I206 F210 L219 F239 I242 D243 C246	T174-F178 PolarHBondContact O-N 3.14Å; W175-F178 PolarHBondContact O-N 2.94Å; F178-I180 PolarHBondContact O-N 3.25Å; F178-V181 PolarHBondContact O-N 2.77Å; F178-N182 VanDerWaalsContact O-CB 3.28Å; F178-N182 WeakPolarHBondContact O-CB 3.17Å; F178-N182 PolarHBondContact O-N 3.47Å; F178-I206 HydrophobicContact CD2-CG2 4.44Å; F178-I206 HydrophobicContact CE2-CG2 3.92Å; F178-F210 HydrophobicContact CB-CD1 3.86Å; F178-F210 HydrophobicContact CB-CE1 3.89Å; F178-F210 HydrophobicContact CB-CG 4.22Å; F178-F210 HydrophobicContact CB-CZ 4.27Å; F178-F210 HydrophobicContact CD2-CB 3.77Å; F178-F210 HydrophobicContact CD2-CD1 4.09Å; F178-F210 AromaticContact CD2-CD2 3.62Å; F178-F210 HydrophobicContact CD2-CD2 3.62Å; F178-F210 HydrophobicContact CD2-CE2 4.21Å; F178-F210 AromaticContact CD2-CG 3.56Å; F178-F210 HydrophobicContact CD2-CG 3.56Å; F178-F210 HydrophobicContact CE2-CB 4.27Å; F178-F210 HydrophobicContact CE2-CD2 4.4Å; F178-F210 HydrophobicContact CE2-CG 4.45Å; F178-F210 HydrophobicContact CG-CD1 4.45Å; F178-F210 HydrophobicContact CG-CG 4.34Å; F178-L219 HydrophobicContact CB-CD1 3.51Å; F178-L219 HydrophobicContact CD1-CD1 3.86Å; F178-L219 HydrophobicContact CD2-CD1 3.41Å; F178-L219 VanDerWaalsContact CD2-CD1 3.41Å; F178-L219 HydrophobicContact CE1-CD1 4.43Å; F178-L219 HydrophobicContact CE2-CD1 4.03Å; F178-L219 HydrophobicContact CG-CD1 3.31Å; F178-F239 HydrophobicContact CZ-CB 4.47Å; F178-F239 HydrophobicContact CZ-CD1 4.37Å; F178-I242 HydrophobicContact CD1-CG2 4.28Å; F178-I242 HydrophobicContact CE1-CB 3.97Å; F178-I242 HydrophobicContact CE1-CG2 3.49Å; F178-I242 VanDerWaalsContact CE1-CG2 3.49Å; F178-I242 HydrophobicContact CZ-CB 4.03Å; F178-I242 HydrophobicContact CZ-CG2 3.76Å; F178-D243 HydrophobicContact CE1-CB 4.5Å; F178-C246 VanDerWaalsContact CD1-SG 3.58Å
179	H	92.6	Very high	87.8	Confident	17 Å²	17	28.5 Å²	28.5	8%	0.079	12%	0.124	C	C	.	.	H	α-helix	trans	-60.5	-45.6	-178.1	174.5	82.3	0	0	0	110.9	L153 W175 T176 N182 Q183 D243 L247 I250	L153-H179 WeakPolarHBondContact CD1-CD2 3.23Å; W175-H179 PolarHBondContact O-N 3.27Å; W175-H179 VanDerWaalsContact O-N 3.1Å; T176-H179 PolarHBondContact O-N 2.82Å; H179-N182 PolarHBondContact O-N 3.26Å; H179-Q183 WeakPolarHBondContact O-CG 3.49Å; H179-Q183 PolarHBondContact O-N 3.33Å; H179-D243 VanDerWaalsContact CA-OD1 3.29Å; H179-D243 WeakPolarHBondContact CA-OD1 3.44Å; H179-D243 IonicContact CE1-OD1 3.78Å; H179-D243 IonicContact CE1-OD2 2.68Å; H179-D243 IonicContact CG-OD1 2.8Å; H179-D243 VanDerWaalsContact ND1-CG 3.33Å; H179-D243 IonicContact ND1-OD1 3.86Å; H179-D243 PolarHBondContact ND1-OD1 3.43Å; H179-D243 IonicContact ND1-OD2 3.44Å; H179-D243 PolarHBondContact ND1-OD2 2.84Å; H179-L247 VanDerWaalsContact CE1-CD2 3.47Å; H179-L247 WeakPolarHBondContact CE1-CD2 3.5Å; H179-I250 HydrophobicContact CB-CD1 3.81Å
180	I	92.1	Very high	87.5	Confident	3 Å²	3	30 Å²	30	2%	0.015	15%	0.146	C	C	.	.	H	α-helix	trans	-68.6	0	-176.2	-66.4	172.1	0	0	0	109.6	T176 L177 F178 Q183 Y184 A343 Y346	T176-I180 HydrophobicContact CG2-CD1 4.14Å; T176-I180 WeakPolarHBondContact O-CG1 3.13Å; T176-I180 PolarHBondContact O-N 3.23Å; L177-I180 PolarHBondContact O-N 3.14Å; F178-I180 PolarHBondContact O-N 3.25Å; I180-Q183 WeakPolarHBondContact O-CB 3.22Å; I180-Q183 PolarHBondContact O-N 3.49Å; I180-Y184 PolarHBondContact O-N 3.48Å; I180-A343 HydrophobicContact CD1-CB 4.23Å; I180-A343 HydrophobicContact CG2-CB 3.57Å; I180-Y346 HydrophobicContact CG2-CD1 4.24Å
181	V	91.1	Very high	86.7	Confident	2 Å²	2	26.6 Å²	26.6	1%	0.012	14%	0.142	C	C	.	.	H	α-helix		0	-39.8	0	169.5	0	0	0	0	109.4	L177 F178 Q183 Y184 F185 I206 F210 C339 T342 Y411	L177-V181 WeakPolarHBondContact O-CB 3.39Å; L177-V181 WeakPolarHBondContact O-CG2 2.85Å; L177-V181 PolarHBondContact O-N 2.78Å; F178-V181 PolarHBondContact O-N 2.77Å; V181-Q183 VanDerWaalsContact C-N 3.3Å; V181-Q183 PolarHBondContact O-N 2.77Å; V181-Y184 WeakPolarHBondContact O-CB 3.43Å; V181-Y184 PolarHBondContact O-N 2.97Å; V181-F185 WeakPolarHBondContact O-CB 3.42Å; V181-F185 PolarHBondContact O-N 3.3Å; V181-I206 HydrophobicContact CG1-CD1 4.29Å; V181-I206 HydrophobicContact CG1-CG1 4.1Å; V181-F210 HydrophobicContact CB-CE2 4.48Å; V181-F210 HydrophobicContact CG2-CE2 4.46Å; V181-F210 HydrophobicContact CG2-CZ 4.38Å; V181-C339 HydrophobicContact CG2-CB 4.34Å; V181-T342 HydrophobicContact CG2-CG2 4.43Å; V181-Y411 HydrophobicContact CG1-CD2 4.37Å; V181-Y411 HydrophobicContact CG1-CG 4.29Å; V181-Y411 HydrophobicContact CG2-CD2 4.41Å
182	N	91.1	Very high	85.7	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.1	0	179.1	-174.4	42.8	0	0	0	110.8	F178 H179 Y184 F185 Q186 F239 D243	F178-N182 VanDerWaalsContact O-CB 3.28Å; F178-N182 WeakPolarHBondContact O-CB 3.17Å; F178-N182 PolarHBondContact O-N 3.47Å; H179-N182 PolarHBondContact O-N 3.26Å; N182-Y184 VanDerWaalsContact C-N 3.31Å; N182-F185 WeakPolarHBondContact O-CB 3.45Å; N182-F185 PolarHBondContact O-N 3.31Å; N182-Q186 WeakPolarHBondContact O-CG 3.35Å; N182-Q186 PolarHBondContact O-N 2.55Å; N182-F239 WeakPolarHBondContact OD1-CB 3.31Å; N182-D243 WeakPolarHBondContact ND2-CB 3.4Å
183	Q	89.5	Confident	84.4	Confident	60 Å²	60	32.7 Å²	32.7	28%	0.28	17%	0.173	S	C	.	.	H	α-helix		0	-39.8	0	-71.5	-65.5	-24.9	0	0	110.8	H179 I180 V181 F185 Q186 R187 D243 Y346	H179-Q183 WeakPolarHBondContact O-CG 3.49Å; H179-Q183 PolarHBondContact O-N 3.33Å; I180-Q183 WeakPolarHBondContact O-CB 3.22Å; I180-Q183 PolarHBondContact O-N 3.49Å; V181-Q183 VanDerWaalsContact C-N 3.3Å; V181-Q183 PolarHBondContact O-N 2.77Å; Q183-F185 VanDerWaalsContact C-N 3.3Å; Q183-Q186 PolarHBondContact O-N 3.41Å; Q183-R187 WeakPolarHBondContact O-CB 3.47Å; Q183-R187 PolarHBondContact O-N 3.45Å; Q183-D243 PolarHBondContact NE2-OD2 2.97Å; Q183-Y346 HydrophobicContact CB-CD2 4.33Å; Q183-Y346 HydrophobicContact CB-CE1 4.49Å; Q183-Y346 HydrophobicContact CB-CE2 3.7Å
184	Y	88.1	Confident	82.7	Confident	26 Å²	26	38.8 Å²	38.8	10%	0.102	20%	0.202	C	C	.	.	H	α-helix	trans	-64.4	-40.7	176.4	-179.9	-107.1	0	0	0	111	I180 V181 N182 R187 S188 T342 R345 Y346 M349 Y411 C412	I180-Y184 PolarHBondContact O-N 3.48Å; V181-Y184 WeakPolarHBondContact O-CB 3.43Å; V181-Y184 PolarHBondContact O-N 2.97Å; N182-Y184 VanDerWaalsContact C-N 3.31Å; Y184-R187 PolarHBondContact O-N 2.47Å; Y184-S188 VanDerWaalsContact O-CB 3.28Å; Y184-S188 WeakPolarHBondContact O-CB 3.29Å; Y184-S188 PolarHBondContact O-N 2.54Å; Y184-S188 PolarHBondContact O-OG 2.8Å; Y184-T342 HydrophobicContact CD1-CG2 3.48Å; Y184-T342 VanDerWaalsContact CD1-CG2 3.48Å; Y184-T342 HydrophobicContact CD2-CG2 4.45Å; Y184-T342 HydrophobicContact CE1-CG2 4.08Å; Y184-T342 HydrophobicContact CG-CG2 3.7Å; Y184-R345 HydrophobicContact CE2-CB 4.19Å; Y184-Y346 HydrophobicContact CD2-CD2 4.42Å; Y184-M349 HydrophobicContact CD2-SD 4.06Å; Y184-M349 HydrophobicContact CE2-SD 3.32Å; Y184-M349 WeakPolarHBondContact CE2-SD 2.73Å; Y184-Y411 VanDerWaalsContact CE1-O 3.22Å; Y184-Y411 WeakPolarHBondContact CE1-O 3.44Å; Y184-C412 HydrophobicContact CE1-CB 4.15Å
185	F	87.5	Confident	81.2	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.009	21%	0.206	C	C	.	.	H	α-helix	trans	-63.3	-43.5	179.7	171.7	-106.6	0	0	0	110.3	V181 N182 Q183 R187 S188 M189 E199 V202 I206 F239	V181-F185 WeakPolarHBondContact O-CB 3.42Å; V181-F185 PolarHBondContact O-N 3.3Å; N182-F185 WeakPolarHBondContact O-CB 3.45Å; N182-F185 PolarHBondContact O-N 3.31Å; Q183-F185 VanDerWaalsContact C-N 3.3Å; F185-R187 VanDerWaalsContact C-N 3.27Å; F185-R187 PolarHBondContact O-N 3.25Å; F185-S188 PolarHBondContact O-N 2.92Å; F185-M189 HydrophobicContact CD1-CG 4.29Å; F185-M189 HydrophobicContact CD2-CE 3.62Å; F185-M189 HydrophobicContact CD2-CG 4.09Å; F185-M189 HydrophobicContact CE1-CE 4.44Å; F185-M189 HydrophobicContact CE1-CG 3.94Å; F185-M189 HydrophobicContact CE2-CE 2.76Å; F185-M189 HydrophobicContact CE2-CG 3.74Å; F185-M189 HydrophobicContact CE2-SD 4.04Å; F185-M189 HydrophobicContact CG-CG 4.36Å; F185-M189 HydrophobicContact CZ-CE 3.3Å; F185-M189 HydrophobicContact CZ-CG 3.65Å; F185-M189 HydrophobicContact CZ-SD 4.12Å; F185-M189 WeakPolarHBondContact O-CB 3.4Å; F185-M189 WeakPolarHBondContact O-CG 3.33Å; F185-M189 PolarHBondContact O-N 3.08Å; F185-E199 HydrophobicContact CZ-CG 4.39Å; F185-V202 HydrophobicContact CD2-CB 4.29Å; F185-V202 HydrophobicContact CD2-CG1 3.39Å; F185-V202 HydrophobicContact CE2-CB 4.03Å; F185-V202 HydrophobicContact CE2-CG1 3.63Å; F185-I206 HydrophobicContact CB-CD1 3.78Å; F185-I206 HydrophobicContact CD1-CD1 4.32Å; F185-I206 HydrophobicContact CD2-CD1 3.84Å; F185-I206 HydrophobicContact CE2-CD1 4.5Å; F185-I206 HydrophobicContact CG-CD1 3.73Å; F185-F239 HydrophobicContact CD1-CD2 4.28Å; F185-F239 HydrophobicContact CE1-CD2 4.16Å
186	Q	85.2	Confident	79.7	Confident	43 Å²	43	43.3 Å²	43.3	20%	0.201	22%	0.224	C	C	.	.	H	α-helix	trans	-66.1	-37.9	-178.9	-64.5	-67.2	-0.9	0	0	110.7	N182 Q183 M189 A190 S236 N240	N182-Q186 WeakPolarHBondContact O-CG 3.35Å; N182-Q186 PolarHBondContact O-N 2.55Å; Q183-Q186 PolarHBondContact O-N 3.41Å; Q186-M189 PolarHBondContact O-N 3.49Å; Q186-A190 PolarHBondContact O-N 2.77Å; Q186-A190 VanDerWaalsContact O-N 3.13Å; Q186-S236 PolarHBondContact NE2-O 2.73Å; Q186-S236 PolarHBondContact NE2-OG 2.97Å; Q186-S236 VanDerWaalsContact NE2-OG 3.08Å; Q186-S236 PolarHBondContact OE1-OG 3.29Å; Q186-N240 PolarHBondContact NE2-ND2 3.23Å; Q186-N240 VanDerWaalsContact NE2-ND2 3.17Å; Q186-N240 PolarHBondContact NE2-OD1 3.43Å
187	R	83	Confident	78.1	Confident	65 Å²	65	51.7 Å²	51.7	25%	0.245	26%	0.26	C	S	.	.	H	α-helix	trans	-70.3	-40.6	179.8	-168.8	164	-179.9	168.7	-2	110.9	Q183 Y184 F185 M189 A190 S191 M349 S350	Q183-R187 WeakPolarHBondContact O-CB 3.47Å; Q183-R187 PolarHBondContact O-N 3.45Å; Y184-R187 PolarHBondContact O-N 2.47Å; F185-R187 VanDerWaalsContact C-N 3.27Å; F185-R187 PolarHBondContact O-N 3.25Å; R187-M189 VanDerWaalsContact C-N 3.26Å; R187-M189 PolarHBondContact O-N 2.65Å; R187-A190 PolarHBondContact O-N 2.72Å; R187-A190 VanDerWaalsContact O-N 3.13Å; R187-S191 PolarHBondContact O-N 3.23Å; R187-S191 VanDerWaalsContact O-N 3.14Å; R187-S191 PolarHBondContact O-OG 2.85Å; R187-M349 PolarHBondContact NH2-O 2.96Å; R187-S350 VanDerWaalsContact CZ-CA 3.43Å; R187-S350 VanDerWaalsContact NH1-CB 3.3Å; R187-S350 PolarHBondContact NH1-OG 3.45Å
188	S	77.8	Confident	76.9	Confident	4 Å²	4	53.5 Å²	53.5	3%	0.028	27%	0.269	C	S	.	.	H	α-helix	trans	-68.5	-34.3	-179.5	-67.4	0	0	0	0	110.6	Y184 F185 A190 S191 S192 L195	Y184-S188 VanDerWaalsContact O-CB 3.28Å; Y184-S188 WeakPolarHBondContact O-CB 3.29Å; Y184-S188 PolarHBondContact O-N 2.54Å; Y184-S188 PolarHBondContact O-OG 2.8Å; F185-S188 PolarHBondContact O-N 2.92Å; S188-A190 PolarHBondContact O-N 3.4Å; S188-S191 PolarHBondContact O-N 2.98Å; S188-S191 PolarHBondContact O-OG 2.83Å; S188-S192 PolarHBondContact O-N 3.25Å; S188-S192 VanDerWaalsContact O-N 3.07Å; S188-L195 VanDerWaalsContact CB-CD1 3.47Å
189	M	76	Confident	75.9	Confident	17 Å²	17	56 Å²	56	8%	0.084	28%	0.281	C	S	.	.	H	α-helix	trans	-69.1	0	178.4	-75.6	-62.5	162.7	0	0	110.2	F185 Q186 R187 L195 F196 E199	F185-M189 HydrophobicContact CD1-CG 4.29Å; F185-M189 HydrophobicContact CD2-CE 3.62Å; F185-M189 HydrophobicContact CD2-CG 4.09Å; F185-M189 HydrophobicContact CE1-CE 4.44Å; F185-M189 HydrophobicContact CE1-CG 3.94Å; F185-M189 HydrophobicContact CE2-CE 2.76Å; F185-M189 HydrophobicContact CE2-CG 3.74Å; F185-M189 HydrophobicContact CE2-SD 4.04Å; F185-M189 HydrophobicContact CG-CG 4.36Å; F185-M189 HydrophobicContact CZ-CE 3.3Å; F185-M189 HydrophobicContact CZ-CG 3.65Å; F185-M189 HydrophobicContact CZ-SD 4.12Å; F185-M189 WeakPolarHBondContact O-CB 3.4Å; F185-M189 WeakPolarHBondContact O-CG 3.33Å; F185-M189 PolarHBondContact O-N 3.08Å; Q186-M189 PolarHBondContact O-N 3.49Å; R187-M189 VanDerWaalsContact C-N 3.26Å; R187-M189 PolarHBondContact O-N 2.65Å; M189-L195 HydrophobicContact CE-CB 4.49Å; M189-L195 HydrophobicContact SD-CB 4.43Å; M189-F196 VanDerWaalsContact O-CE2 3.31Å; M189-F196 WeakPolarHBondContact O-CE2 3.12Å; M189-E199 HydrophobicContact CE-CB 3.84Å; M189-E199 HydrophobicContact CE-CG 3.63Å; M189-E199 HydrophobicContact SD-CB 4.3Å; M189-E199 HydrophobicContact SD-CG 4.02Å
190	A	76.7	Confident	74.9	Confident	87 Å²	87	61.8 Å²	61.8	72%	0.719	31%	0.306	S	S	*	.	H	α-helix		0	-23.8	0	0	0	0	0	0	110.7	Q186 R187 S188	Q186-A190 PolarHBondContact O-N 2.77Å; Q186-A190 VanDerWaalsContact O-N 3.13Å; R187-A190 PolarHBondContact O-N 2.72Å; R187-A190 VanDerWaalsContact O-N 3.13Å; S188-A190 PolarHBondContact O-N 3.4Å
191	S	68.2	Low	74	Confident	85 Å²	85	64.5 Å²	64.5	59%	0.594	32%	0.316	S	S	*	.	H	α-helix	trans	-103.4	0	-170.1	66.4	0	0	0	0	110.5	R187 S188	R187-S191 PolarHBondContact O-N 3.23Å; R187-S191 VanDerWaalsContact O-N 3.14Å; R187-S191 PolarHBondContact O-OG 2.85Å; S188-S191 PolarHBondContact O-N 2.98Å; S188-S191 PolarHBondContact O-OG 2.83Å
192	S	64.3	Low	73.3	Confident	34 Å²	34	64.6 Å²	64.6	24%	0.238	32%	0.316	C	S	.	.				0	0	0	178	0	0	0	0	109.2	S188 E194 L195 F196	S188-S192 PolarHBondContact O-N 3.25Å; S188-S192 VanDerWaalsContact O-N 3.07Å; S192-E194 PolarHBondContact O-N 2.5Å; S192-E194 PolarHBondContact OG-N 3.43Å; S192-L195 PolarHBondContact OG-N 2.29Å; S192-F196 WeakPolarHBondContact O-CD2 3.39Å
193	K	57.7	Low	72.8	Confident	191 Å²	191	64.6 Å²	64.6	83%	0.83	32%	0.316	S	S	*	.	S	Bend		0	-25.1	0	-74.7	-175	-176.4	179.2	0	111.1	F196	K193-F196 WeakPolarHBondContact O-CB 3.48Å; K193-F196 PolarHBondContact O-N 2.93Å
194	E	54.9	Low	72.3	Confident	129 Å²	129	62 Å²	62	60%	0.603	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-76.2	-27.4	-174.4	-79.8	-166.7	173.2	0	0	111	S192 F196 K197	S192-E194 PolarHBondContact O-N 2.5Å; S192-E194 PolarHBondContact OG-N 3.43Å; E194-F196 PolarHBondContact O-N 3.14Å; E194-K197 WeakPolarHBondContact O-CB 3.28Å; E194-K197 PolarHBondContact O-N 3.49Å
195	L	59.6	Low	71.9	Confident	19 Å²	19	61 Å²	61	10%	0.099	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-77.9	-18.3	179.7	-94.9	151.6	0	0	0	110.4	S188 M189 S192 K197 D198 E199 V202 C412	S188-L195 VanDerWaalsContact CB-CD1 3.47Å; M189-L195 HydrophobicContact CE-CB 4.49Å; M189-L195 HydrophobicContact SD-CB 4.43Å; S192-L195 PolarHBondContact OG-N 2.29Å; L195-K197 PolarHBondContact O-N 2.96Å; L195-K197 VanDerWaalsContact O-N 3.17Å; L195-D198 CarbonylContact O-C 3.56Å; L195-D198 VanDerWaalsContact O-C 3.24Å; L195-D198 WeakPolarHBondContact O-CA 3.49Å; L195-D198 PolarHBondContact O-N 3.24Å; L195-E199 WeakPolarHBondContact O-CA 2.82Å; L195-E199 PolarHBondContact O-N 2.51Å; L195-V202 HydrophobicContact CD2-CG2 3.87Å; L195-C412 HydrophobicContact CD2-CB 3.74Å
196	F	59	Low	71.8	Confident	123 Å²	123	61 Å²	61	54%	0.539	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-62.1	0	176.2	-90.9	-82.3	0	0	0	111	M189 S192 K193 E194 D198	M189-F196 VanDerWaalsContact O-CE2 3.31Å; M189-F196 WeakPolarHBondContact O-CE2 3.12Å; S192-F196 WeakPolarHBondContact O-CD2 3.39Å; K193-F196 WeakPolarHBondContact O-CB 3.48Å; K193-F196 PolarHBondContact O-N 2.93Å; E194-F196 PolarHBondContact O-N 3.14Å; F196-D198 VanDerWaalsContact C-N 3.31Å
197	K	60.8	Low	71.8	Confident	179 Å²	179	59.2 Å²	59.2	78%	0.778	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn		0	0	0	-73	-177.9	-176.4	180	0	110.7	E194 L195	E194-K197 WeakPolarHBondContact O-CB 3.28Å; E194-K197 PolarHBondContact O-N 3.49Å; L195-K197 PolarHBondContact O-N 2.96Å; L195-K197 VanDerWaalsContact O-N 3.17Å
198	D	67.7	Low	71.7	Confident	37 Å²	37	56.5 Å²	56.5	20%	0.198	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn		0	14.2	0	-70.1	-23.4	0	0	0	110.3	L195 F196 K200 R201 V202 K414	L195-D198 CarbonylContact O-C 3.56Å; L195-D198 VanDerWaalsContact O-C 3.24Å; L195-D198 WeakPolarHBondContact O-CA 3.49Å; L195-D198 PolarHBondContact O-N 3.24Å; F196-D198 VanDerWaalsContact C-N 3.31Å; D198-K200 PolarHBondContact O-N 2.82Å; D198-R201 WeakPolarHBondContact O-CB 3.41Å; D198-R201 PolarHBondContact O-N 3.44Å; D198-V202 VanDerWaalsContact O-CG2 3.27Å; D198-V202 WeakPolarHBondContact O-CG2 3.33Å; D198-V202 PolarHBondContact O-N 3.3Å; D198-K414 VanDerWaalsContact OD2-CD 3.27Å; D198-K414 WeakPolarHBondContact OD2-CD 3Å; D198-K414 WeakPolarHBondContact OD2-CE 3.02Å; D198-K414 VanDerWaalsContact OD2-CG 3.31Å; D198-K414 WeakPolarHBondContact OD2-CG 3.39Å; D198-K414 IonicContact OD2-NZ 3.79Å; D198-K414 PolarHBondContact OD2-NZ 3.26Å
199	E	71.5	Confident	72	Confident	54 Å²	54	56.4 Å²	56.4	25%	0.252	28%	0.282	S	S	.	.	H	α-helix	trans	-55.8	-42.1	-176.8	-177	-179.9	-179.2	0	0	111.5	F185 M189 L195 R201 V202 C203	F185-E199 HydrophobicContact CZ-CG 4.39Å; M189-E199 HydrophobicContact CE-CB 3.84Å; M189-E199 HydrophobicContact CE-CG 3.63Å; M189-E199 HydrophobicContact SD-CB 4.3Å; M189-E199 HydrophobicContact SD-CG 4.02Å; L195-E199 WeakPolarHBondContact O-CA 2.82Å; L195-E199 PolarHBondContact O-N 2.51Å; E199-R201 PolarHBondContact O-N 2.92Å; E199-V202 PolarHBondContact O-N 3.49Å; E199-C203 WeakPolarHBondContact O-CB 3.45Å; E199-C203 PolarHBondContact O-N 3.31Å; E199-C203 PolarHBondContact O-SG 2.81Å
200	K	70.5	Confident	72.6	Confident	137 Å²	137	55.6 Å²	55.6	60%	0.596	28%	0.279	S	S	*	.	H	α-helix	trans	-65.5	-41.2	-177.2	-73.5	-175.2	-177.9	179.1	0	111.1	D198 V202 C203 L204 F232	D198-K200 PolarHBondContact O-N 2.82Å; K200-V202 VanDerWaalsContact C-N 3.33Å; K200-C203 PolarHBondContact O-N 3.44Å; K200-L204 VanDerWaalsContact O-CB 3.29Å; K200-L204 WeakPolarHBondContact O-CB 3.42Å; K200-L204 PolarHBondContact O-N 2.9Å; K200-F232 HydrophobicContact CB-CD1 4.02Å; K200-F232 HydrophobicContact CB-CE1 4.25Å; K200-F232 HydrophobicContact CG-CB 4.15Å; K200-F232 HydrophobicContact CG-CD1 3.99Å; K200-F232 HydrophobicContact CG-CG 4.11Å; K200-F232 WeakPolarHBondContact O-CE1 3.18Å
201	R	73.9	Confident	73	Confident	61 Å²	61	52 Å²	52	23%	0.23	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-46.9	179.8	178.3	-174.3	161.5	143.2	-0.2	110.6	D198 E199 C203 L204 E205 L457	D198-R201 WeakPolarHBondContact O-CB 3.41Å; D198-R201 PolarHBondContact O-N 3.44Å; E199-R201 PolarHBondContact O-N 2.92Å; R201-C203 VanDerWaalsContact C-N 3.33Å; R201-L204 WeakPolarHBondContact O-CB 3.29Å; R201-L204 PolarHBondContact O-N 3.38Å; R201-E205 IonicContact NE-OE1 3.54Å; R201-E205 PolarHBondContact NE-OE1 2.87Å; R201-E205 VanDerWaalsContact O-CG 3.22Å; R201-E205 WeakPolarHBondContact O-CG 3.49Å; R201-E205 PolarHBondContact O-N 3.25Å; R201-L457 PolarHBondContact NH2-O 2.44Å
202	V	76.5	Confident	73.4	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.018	23%	0.226	C	C	.	.	H	α-helix	trans	-67.7	-39.1	-177	177.6	0	0	0	0	109.2	F185 L195 D198 E199 K200 L204 E205 I206 C412	F185-V202 HydrophobicContact CD2-CB 4.29Å; F185-V202 HydrophobicContact CD2-CG1 3.39Å; F185-V202 HydrophobicContact CE2-CB 4.03Å; F185-V202 HydrophobicContact CE2-CG1 3.63Å; L195-V202 HydrophobicContact CD2-CG2 3.87Å; D198-V202 VanDerWaalsContact O-CG2 3.27Å; D198-V202 WeakPolarHBondContact O-CG2 3.33Å; D198-V202 PolarHBondContact O-N 3.3Å; E199-V202 PolarHBondContact O-N 3.49Å; K200-V202 VanDerWaalsContact C-N 3.33Å; V202-L204 PolarHBondContact O-N 3.21Å; V202-E205 WeakPolarHBondContact O-CA 3.18Å; V202-E205 VanDerWaalsContact O-CB 3.26Å; V202-E205 WeakPolarHBondContact O-CB 3.48Å; V202-E205 PolarHBondContact O-N 3.43Å; V202-I206 HydrophobicContact CG1-CD1 4.15Å; V202-I206 HydrophobicContact CG1-CG1 4.45Å; V202-I206 WeakPolarHBondContact O-CG1 2.97Å; V202-I206 PolarHBondContact O-N 3.07Å; V202-C412 WeakPolarHBondContact CG1-SG 3.49Å; V202-C412 HydrophobicContact CG2-CB 4.38Å
203	C	81	Confident	74	Confident	0 Å²	0	54 Å²	54	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.7	-42.3	176.6	-71.6	0	0	0	0	111.2	E199 K200 R201 E205 I206 F207 F230 F232 C235 F239	E199-C203 WeakPolarHBondContact O-CB 3.45Å; E199-C203 PolarHBondContact O-N 3.31Å; E199-C203 PolarHBondContact O-SG 2.81Å; K200-C203 PolarHBondContact O-N 3.44Å; R201-C203 VanDerWaalsContact C-N 3.33Å; C203-E205 PolarHBondContact O-N 3.38Å; C203-I206 PolarHBondContact O-N 2.9Å; C203-F207 WeakPolarHBondContact O-CB 3.28Å; C203-F207 PolarHBondContact O-N 3.34Å; C203-F230 HydrophobicContact CB-CE1 4.1Å; C203-F230 HydrophobicContact CB-CZ 3.9Å; C203-F232 HydrophobicContact CB-CD1 4.26Å; C203-C235 HydrophobicContact CB-CB 4.11Å; C203-F239 HydrophobicContact CB-CE2 4.34Å; C203-F239 HydrophobicContact CB-CZ 4.49Å
204	L	77.9	Confident	74.9	Confident	7 Å²	7	48.4 Å²	48.4	4%	0.037	22%	0.219	C	C	.	.	H	α-helix	trans	-63.9	-33.9	177.9	-174.2	66.8	0	0	0	110.8	K200 R201 V202 F207 T208 F232 I444	K200-L204 VanDerWaalsContact O-CB 3.29Å; K200-L204 WeakPolarHBondContact O-CB 3.42Å; K200-L204 PolarHBondContact O-N 2.9Å; R201-L204 WeakPolarHBondContact O-CB 3.29Å; R201-L204 PolarHBondContact O-N 3.38Å; V202-L204 PolarHBondContact O-N 3.21Å; L204-F207 PolarHBondContact O-N 2.83Å; L204-T208 HydrophobicContact CD1-CG2 4.04Å; L204-T208 HydrophobicContact CG-CG2 4.06Å; L204-T208 WeakPolarHBondContact O-CB 3.24Å; L204-T208 WeakPolarHBondContact O-CG2 2.3Å; L204-T208 PolarHBondContact O-N 3.24Å; L204-T208 PolarHBondContact O-OG1 2.86Å; L204-F232 HydrophobicContact CB-CE1 4.25Å; L204-F232 HydrophobicContact CD1-CZ 4.28Å; L204-I444 HydrophobicContact CD1-CG1 3.98Å
205	E	80.2	Confident	76.1	Confident	5 Å²	5	42.2 Å²	42.2	2%	0.023	19%	0.19	C	C	.	.	H	α-helix	trans	-68.1	-46.1	179.8	-76.6	-176.5	-178.5	0	0	110.5	R201 V202 C203 F207 T208 T209 Y411 L457	R201-E205 IonicContact NE-OE1 3.54Å; R201-E205 PolarHBondContact NE-OE1 2.87Å; R201-E205 VanDerWaalsContact O-CG 3.22Å; R201-E205 WeakPolarHBondContact O-CG 3.49Å; R201-E205 PolarHBondContact O-N 3.25Å; V202-E205 WeakPolarHBondContact O-CA 3.18Å; V202-E205 VanDerWaalsContact O-CB 3.26Å; V202-E205 WeakPolarHBondContact O-CB 3.48Å; V202-E205 PolarHBondContact O-N 3.43Å; C203-E205 PolarHBondContact O-N 3.38Å; E205-F207 PolarHBondContact O-N 3.02Å; E205-T208 PolarHBondContact O-N 2.92Å; E205-T208 PolarHBondContact O-OG1 3.34Å; E205-T209 VanDerWaalsContact O-CB 3.22Å; E205-T209 WeakPolarHBondContact O-CB 3.02Å; E205-T209 PolarHBondContact O-N 2.49Å; E205-T209 PolarHBondContact O-OG1 3.49Å; E205-Y411 HydrophobicContact CB-CD1 4.21Å; E205-Y411 HydrophobicContact CB-CE1 4Å; E205-L457 WeakPolarHBondContact OE2-CD2 3.4Å
206	I	86.3	Confident	77.2	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-65	-37.7	179.5	-67.8	175.1	0	0	0	109.5	F178 V181 F185 V202 C203 T209 F210 F239	F178-I206 HydrophobicContact CD2-CG2 4.44Å; F178-I206 HydrophobicContact CE2-CG2 3.92Å; V181-I206 HydrophobicContact CG1-CD1 4.29Å; V181-I206 HydrophobicContact CG1-CG1 4.1Å; F185-I206 HydrophobicContact CB-CD1 3.78Å; F185-I206 HydrophobicContact CD1-CD1 4.32Å; F185-I206 HydrophobicContact CD2-CD1 3.84Å; F185-I206 HydrophobicContact CE2-CD1 4.5Å; F185-I206 HydrophobicContact CG-CD1 3.73Å; V202-I206 HydrophobicContact CG1-CD1 4.15Å; V202-I206 HydrophobicContact CG1-CG1 4.45Å; V202-I206 WeakPolarHBondContact O-CG1 2.97Å; V202-I206 PolarHBondContact O-N 3.07Å; C203-I206 PolarHBondContact O-N 2.9Å; I206-T209 PolarHBondContact O-N 2.9Å; I206-F210 HydrophobicContact CG2-CD2 4.21Å; I206-F210 WeakPolarHBondContact O-CD2 3Å; I206-F210 PolarHBondContact O-N 2.72Å; I206-F239 HydrophobicContact CB-CE2 3.92Å; I206-F239 HydrophobicContact CB-CZ 3.83Å; I206-F239 HydrophobicContact CD1-CD2 4.27Å; I206-F239 HydrophobicContact CD1-CE2 3.89Å; I206-F239 HydrophobicContact CG2-CD1 4.47Å; I206-F239 HydrophobicContact CG2-CD2 4.32Å; I206-F239 HydrophobicContact CG2-CE1 4.01Å; I206-F239 HydrophobicContact CG2-CE2 3.84Å; I206-F239 HydrophobicContact CG2-CZ 3.66Å
207	F	83.4	Confident	78.5	Confident	6 Å²	6	35.5 Å²	35.5	3%	0.026	16%	0.16	C	C	.	.	I	π-helix	trans	-66.2	-45.2	-179.4	176.6	-98.3	0	0	0	110.5	C203 L204 E205 T209 F210 L211 H212 L227 F230 I444	C203-F207 WeakPolarHBondContact O-CB 3.28Å; C203-F207 PolarHBondContact O-N 3.34Å; L204-F207 PolarHBondContact O-N 2.83Å; E205-F207 PolarHBondContact O-N 3.02Å; F207-T209 PolarHBondContact O-N 3.31Å; F207-F210 PolarHBondContact O-N 3.31Å; F207-L211 HydrophobicContact CD2-CB 3.75Å; F207-L211 HydrophobicContact CD2-CD1 4.03Å; F207-L211 HydrophobicContact CE2-CB 4.03Å; F207-L211 HydrophobicContact CG-CB 4.44Å; F207-L211 PolarHBondContact O-N 2.89Å; F207-H212 HydrophobicContact CD1-CB 4.4Å; F207-H212 HydrophobicContact CE1-CB 4.05Å; F207-H212 AromaticContact CE1-CD2 3.84Å; F207-H212 PolarHBondContact O-N 3.45Å; F207-L227 HydrophobicContact CD2-CD2 4.2Å; F207-L227 HydrophobicContact CE2-CD2 3.12Å; F207-L227 HydrophobicContact CZ-CD2 3.56Å; F207-F230 HydrophobicContact CB-CD2 4.44Å; F207-F230 HydrophobicContact CB-CE2 4.04Å; F207-F230 HydrophobicContact CB-CZ 4.08Å; F207-F230 HydrophobicContact CD2-CB 4.42Å; F207-F230 AromaticContact CD2-CD2 3.29Å; F207-F230 HydrophobicContact CD2-CD2 3.29Å; F207-F230 AromaticContact CD2-CE2 3.58Å; F207-F230 HydrophobicContact CD2-CE2 3.58Å; F207-F230 AromaticContact CD2-CG 3.9Å; F207-F230 HydrophobicContact CD2-CG 3.9Å; F207-F230 HydrophobicContact CD2-CZ 4.38Å; F207-F230 HydrophobicContact CE2-CB 4.07Å; F207-F230 AromaticContact CE2-CD2 3.62Å; F207-F230 HydrophobicContact CE2-CD2 3.62Å; F207-F230 HydrophobicContact CE2-CE2 4.35Å; F207-F230 HydrophobicContact CE2-CG 4.05Å; F207-F230 AromaticContact CG-CD2 3.99Å; F207-F230 HydrophobicContact CG-CD2 3.99Å; F207-F230 HydrophobicContact CG-CE2 4.09Å; F207-F230 HydrophobicContact CG-CG 4.3Å; F207-F230 HydrophobicContact CG-CZ 4.47Å; F207-F230 HydrophobicContact CZ-CB 4.27Å; F207-I444 HydrophobicContact CD1-CD1 3.92Å; F207-I444 HydrophobicContact CE1-CD1 3.23Å; F207-I444 HydrophobicContact CE1-CG1 4.29Å; F207-I444 HydrophobicContact CZ-CD1 4.17Å
208	T	81.6	Confident	79.7	Confident	7 Å²	7	31 Å²	31	4%	0.043	14%	0.138	C	C	.	.	I	π-helix	trans	-77.5	-14.4	-174.7	57.3	0	0	0	0	109.8	L204 E205 S215 P216 I444 L453	L204-T208 HydrophobicContact CD1-CG2 4.04Å; L204-T208 HydrophobicContact CG-CG2 4.06Å; L204-T208 WeakPolarHBondContact O-CB 3.24Å; L204-T208 WeakPolarHBondContact O-CG2 2.3Å; L204-T208 PolarHBondContact O-N 3.24Å; L204-T208 PolarHBondContact O-OG1 2.86Å; E205-T208 PolarHBondContact O-N 2.92Å; E205-T208 PolarHBondContact O-OG1 3.34Å; T208-S215 WeakPolarHBondContact O-CA 3.47Å; T208-S215 WeakPolarHBondContact O-CB 3.3Å; T208-P216 VanDerWaalsContact O-CD 3.29Å; T208-P216 WeakPolarHBondContact O-CD 2.81Å; T208-I444 HydrophobicContact CG2-CG1 4.48Å; T208-L453 HydrophobicContact CG2-CD2 4.01Å
209	T	85.2	Confident	80.5	Confident	3 Å²	3	29.7 Å²	29.7	2%	0.018	13%	0.131	C	C	.	.	I	π-helix	trans	-89.7	0	-179.7	-59.8	0	0	0	0	109.5	E205 I206 F207 S215 L217 A335 Y411	E205-T209 VanDerWaalsContact O-CB 3.22Å; E205-T209 WeakPolarHBondContact O-CB 3.02Å; E205-T209 PolarHBondContact O-N 2.49Å; E205-T209 PolarHBondContact O-OG1 3.49Å; I206-T209 PolarHBondContact O-N 2.9Å; F207-T209 PolarHBondContact O-N 3.31Å; T209-S215 VanDerWaalsContact C-CB 3.49Å; T209-S215 VanDerWaalsContact O-CB 3.23Å; T209-S215 WeakPolarHBondContact O-CB 3.44Å; T209-L217 HydrophobicContact CG2-CD1 4.22Å; T209-L217 CarbonylContact O-C 3.54Å; T209-L217 WeakPolarHBondContact O-CA 3Å; T209-L217 PolarHBondContact O-N 2.82Å; T209-A335 HydrophobicContact CG2-CB 4.3Å; T209-Y411 VanDerWaalsContact CB-OH 3.22Å; T209-Y411 WeakPolarHBondContact CB-OH 3.26Å; T209-Y411 WeakPolarHBondContact CG2-OH 3.42Å; T209-Y411 PolarHBondContact OG1-OH 3.44Å
210	F	87.7	Confident	80.8	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.147	C	C	.	.	I	π-helix		0	-32.2	0	-69.2	-79.5	0	0	0	109.9	T174 L177 F178 V181 I206 F207 S215 L217 R218 L219 C339	T174-F210 HydrophobicContact CG2-CD1 3.99Å; T174-F210 HydrophobicContact CG2-CE1 4.35Å; L177-F210 HydrophobicContact CB-CE1 4.36Å; L177-F210 HydrophobicContact CB-CZ 4.41Å; F178-F210 HydrophobicContact CB-CD1 3.86Å; F178-F210 HydrophobicContact CB-CE1 3.89Å; F178-F210 HydrophobicContact CB-CG 4.22Å; F178-F210 HydrophobicContact CB-CZ 4.27Å; F178-F210 HydrophobicContact CD2-CB 3.77Å; F178-F210 HydrophobicContact CD2-CD1 4.09Å; F178-F210 AromaticContact CD2-CD2 3.62Å; F178-F210 HydrophobicContact CD2-CD2 3.62Å; F178-F210 HydrophobicContact CD2-CE2 4.21Å; F178-F210 AromaticContact CD2-CG 3.56Å; F178-F210 HydrophobicContact CD2-CG 3.56Å; F178-F210 HydrophobicContact CE2-CB 4.27Å; F178-F210 HydrophobicContact CE2-CD2 4.4Å; F178-F210 HydrophobicContact CE2-CG 4.45Å; F178-F210 HydrophobicContact CG-CD1 4.45Å; F178-F210 HydrophobicContact CG-CG 4.34Å; V181-F210 HydrophobicContact CB-CE2 4.48Å; V181-F210 HydrophobicContact CG2-CE2 4.46Å; V181-F210 HydrophobicContact CG2-CZ 4.38Å; I206-F210 HydrophobicContact CG2-CD2 4.21Å; I206-F210 WeakPolarHBondContact O-CD2 3Å; I206-F210 PolarHBondContact O-N 2.72Å; F207-F210 PolarHBondContact O-N 3.31Å; F210-S215 PolarHBondContact O-OG 2.95Å; F210-L217 WeakPolarHBondContact CA-O 3.44Å; F210-L217 HydrophobicContact CD1-CB 3.86Å; F210-L217 VanDerWaalsContact CD1-O 3.3Å; F210-L217 WeakPolarHBondContact CD1-O 2.9Å; F210-L217 HydrophobicContact CE1-CB 3.87Å; F210-L217 HydrophobicContact CE1-CD1 3.84Å; F210-L217 HydrophobicContact CZ-CD1 4.17Å; F210-R218 CarbonylContact O-C 3.59Å; F210-R218 VanDerWaalsContact O-CA 3.3Å; F210-R218 WeakPolarHBondContact O-CA 3.49Å; F210-L219 HydrophobicContact CB-CD1 3.43Å; F210-L219 VanDerWaalsContact CB-CD1 3.43Å; F210-L219 HydrophobicContact CB-CG 3.98Å; F210-L219 HydrophobicContact CD1-CD1 3.83Å; F210-L219 HydrophobicContact CD1-CG 4.08Å; F210-L219 HydrophobicContact CG-CD1 3.91Å; F210-L219 HydrophobicContact CG-CG 4.49Å; F210-L219 PolarHBondContact O-N 3.46Å; F210-C339 VanDerWaalsContact CZ-SG 3.6Å
211	L	84.1	Confident	80.9	Confident	10 Å²	10	27.2 Å²	27.2	5%	0.052	13%	0.127	C	C	.	.	I	π-helix	trans	-109.3	-19.6	-160.8	-65	178.1	0	0	0	110.1	F207 L219 L227 L238 F239 I242	F207-L211 HydrophobicContact CD2-CB 3.75Å; F207-L211 HydrophobicContact CD2-CD1 4.03Å; F207-L211 HydrophobicContact CE2-CB 4.03Å; F207-L211 HydrophobicContact CG-CB 4.44Å; F207-L211 PolarHBondContact O-N 2.89Å; L211-L219 HydrophobicContact CD2-CB 4.49Å; L211-L219 HydrophobicContact CD2-CD1 4.39Å; L211-L227 HydrophobicContact CB-CD2 4.05Å; L211-L238 HydrophobicContact CD1-CD2 4.43Å; L211-F239 HydrophobicContact CD1-CD1 3.92Å; L211-F239 HydrophobicContact CD1-CE1 3.45Å; L211-F239 VanDerWaalsContact CD1-CE1 3.45Å; L211-I242 HydrophobicContact CD1-CD1 3.61Å; L211-I242 HydrophobicContact CD2-CD1 3.4Å; L211-I242 VanDerWaalsContact CD2-CD1 3.4Å; L211-I242 HydrophobicContact CD2-CG2 4.47Å; L211-I242 HydrophobicContact CG-CD1 4.16Å
212	H	78.6	Confident	80.3	Confident	33 Å²	33	35.8 Å²	35.8	15%	0.153	16%	0.159	C	C	.	.	S	Bend	trans	-75.3	149	179.5	-170.6	-83.1	0	0	0	110.1	F207 K214 S215 L453	F207-H212 HydrophobicContact CD1-CB 4.4Å; F207-H212 HydrophobicContact CE1-CB 4.05Å; F207-H212 AromaticContact CE1-CD2 3.84Å; F207-H212 PolarHBondContact O-N 3.45Å; H212-K214 PolarHBondContact ND1-N 3.3Å; H212-K214 PolarHBondContact O-N 3.46Å; H212-K214 VanDerWaalsContact O-N 3.15Å; H212-S215 WeakPolarHBondContact O-CB 3.07Å; H212-S215 PolarHBondContact O-N 3.42Å; H212-S215 PolarHBondContact O-OG 2.7Å; H212-L453 HydrophobicContact CB-CD2 4.16Å
213	E	75.5	Confident	79.3	Confident	130 Å²	130	37.5 Å²	37.5	61%	0.607	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-30.7	-176.4	-169.9	175.3	177.9	0	0	111.5	S215 S324	E213-S215 VanDerWaalsContact C-N 3.34Å; E213-S324 PolarHBondContact O-OG 3.16Å
214	K	76	Confident	77.8	Confident	72 Å²	72	43.5 Å²	43.5	31%	0.313	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	24.3	-178.1	-65.9	-178	-178.6	179.9	0	110.6	H212 L453	H212-K214 PolarHBondContact ND1-N 3.3Å; H212-K214 PolarHBondContact O-N 3.46Å; H212-K214 VanDerWaalsContact O-N 3.15Å; K214-L453 HydrophobicContact CB-CB 4.34Å
215	S	80.5	Confident	76.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.24	C	C	.	.			trans	-76.8	145.3	-176.2	61.3	0	0	0	0	110	T208 T209 F210 H212 E213 L217 R218	T208-S215 WeakPolarHBondContact O-CA 3.47Å; T208-S215 WeakPolarHBondContact O-CB 3.3Å; T209-S215 VanDerWaalsContact C-CB 3.49Å; T209-S215 VanDerWaalsContact O-CB 3.23Å; T209-S215 WeakPolarHBondContact O-CB 3.44Å; F210-S215 PolarHBondContact O-OG 2.95Å; H212-S215 WeakPolarHBondContact O-CB 3.07Å; H212-S215 PolarHBondContact O-N 3.42Å; H212-S215 PolarHBondContact O-OG 2.7Å; E213-S215 VanDerWaalsContact C-N 3.34Å; S215-L217 VanDerWaalsContact C-N 3.27Å; S215-L217 PolarHBondContact O-N 2.67Å; S215-R218 WeakPolarHBondContact OG-CA 3.24Å; S215-R218 VanDerWaalsContact OG-CB 3.3Å; S215-R218 WeakPolarHBondContact OG-CB 2.84Å; S215-R218 PolarHBondContact OG-N 2.77Å
216	P	83.1	Confident	74.6	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-32.1	-177.6	19.2	-27.9	0	0	0	112.1	T208 T323 V327 I332 A335 W455	T208-P216 VanDerWaalsContact O-CD 3.29Å; T208-P216 WeakPolarHBondContact O-CD 2.81Å; P216-T323 WeakPolarHBondContact O-CG2 3.23Å; P216-V327 HydrophobicContact CB-CG1 3.91Å; P216-I332 HydrophobicContact CB-CG1 4.42Å; P216-A335 HydrophobicContact CB-CB 4.03Å; P216-A335 HydrophobicContact CG-CB 3.95Å; P216-W455 HydrophobicContact CB-CZ2 4.3Å; P216-W455 HydrophobicContact CG-CD2 4.18Å; P216-W455 HydrophobicContact CG-CE3 4.25Å; P216-W455 HydrophobicContact CG-CH2 4.17Å; P216-W455 HydrophobicContact CG-CZ2 4.1Å; P216-W455 HydrophobicContact CG-CZ3 4.24Å
217	L	86.5	Confident	73	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	66	176.6	-62.1	177.4	0	0	0	109.1	T174 L177 T209 F210 S215 L219 P321 A335 I336	T174-L217 HydrophobicContact CG2-CB 3.98Å; T174-L217 WeakPolarHBondContact CG2-O 2.93Å; L177-L217 HydrophobicContact CD1-CD1 4.23Å; T209-L217 HydrophobicContact CG2-CD1 4.22Å; T209-L217 CarbonylContact O-C 3.54Å; T209-L217 WeakPolarHBondContact O-CA 3Å; T209-L217 PolarHBondContact O-N 2.82Å; F210-L217 WeakPolarHBondContact CA-O 3.44Å; F210-L217 HydrophobicContact CD1-CB 3.86Å; F210-L217 VanDerWaalsContact CD1-O 3.3Å; F210-L217 WeakPolarHBondContact CD1-O 2.9Å; F210-L217 HydrophobicContact CE1-CB 3.87Å; F210-L217 HydrophobicContact CE1-CD1 3.84Å; F210-L217 HydrophobicContact CZ-CD1 4.17Å; S215-L217 VanDerWaalsContact C-N 3.27Å; S215-L217 PolarHBondContact O-N 2.67Å; L217-L219 PolarHBondContact O-N 2.85Å; L217-P321 HydrophobicContact CD2-CB 3.95Å; L217-P321 HydrophobicContact CD2-CG 3.66Å; L217-A335 HydrophobicContact CD1-CB 3.91Å; L217-A335 HydrophobicContact CG-CB 3.95Å; L217-I336 HydrophobicContact CD1-CG1 4.4Å; L217-I336 HydrophobicContact CD2-CD1 4.48Å; L217-I336 HydrophobicContact CD2-CG1 3.89Å
218	R	85.6	Confident	71.2	Confident	85 Å²	85	66.6 Å²	66.6	32%	0.321	33%	0.328	S	S	.	.			trans	-66.1	132.2	-172.6	-178.6	-179.2	173.9	-177.1	0.8	110.6	F210 S215	F210-R218 CarbonylContact O-C 3.59Å; F210-R218 VanDerWaalsContact O-CA 3.3Å; F210-R218 WeakPolarHBondContact O-CA 3.49Å; S215-R218 WeakPolarHBondContact OG-CA 3.24Å; S215-R218 VanDerWaalsContact OG-CB 3.3Å; S215-R218 WeakPolarHBondContact OG-CB 2.84Å; S215-R218 PolarHBondContact OG-N 2.77Å
219	L	85.2	Confident	69.8	Low	9 Å²	9	70.4 Å²	70.4	5%	0.047	36%	0.355	C	S	.	.			trans	-101.7	116.4	175.2	-77.3	166.2	0	0	0	109.2	T174 W175 F178 F210 L211 L217 V221	T174-L219 HydrophobicContact CG2-CD2 3.28Å; T174-L219 HydrophobicContact CG2-CG 3.57Å; W175-L219 HydrophobicContact CD2-CD2 3.88Å; W175-L219 HydrophobicContact CE3-CD2 3.91Å; W175-L219 HydrophobicContact CG-CD2 4.24Å; W175-L219 HydrophobicContact CZ3-CD2 4.34Å; F178-L219 HydrophobicContact CB-CD1 3.51Å; F178-L219 HydrophobicContact CD1-CD1 3.86Å; F178-L219 HydrophobicContact CD2-CD1 3.41Å; F178-L219 VanDerWaalsContact CD2-CD1 3.41Å; F178-L219 HydrophobicContact CE1-CD1 4.43Å; F178-L219 HydrophobicContact CE2-CD1 4.03Å; F178-L219 HydrophobicContact CG-CD1 3.31Å; F210-L219 HydrophobicContact CB-CD1 3.43Å; F210-L219 VanDerWaalsContact CB-CD1 3.43Å; F210-L219 HydrophobicContact CB-CG 3.98Å; F210-L219 HydrophobicContact CD1-CD1 3.83Å; F210-L219 HydrophobicContact CD1-CG 4.08Å; F210-L219 HydrophobicContact CG-CD1 3.91Å; F210-L219 HydrophobicContact CG-CG 4.49Å; F210-L219 PolarHBondContact O-N 3.46Å; L211-L219 HydrophobicContact CD2-CB 4.49Å; L211-L219 HydrophobicContact CD2-CD1 4.39Å; L217-L219 PolarHBondContact O-N 2.85Å; L219-V221 HydrophobicContact CB-CG2 4.02Å; L219-V221 PolarHBondContact O-N 2.6Å; L219-V221 VanDerWaalsContact O-N 3.11Å
220	D	78.1	Confident	68.6	Low	113 Å²	113	72 Å²	72	60%	0.604	36%	0.362	S	S	*	.			trans	-80.1	88.4	-179.5	-162.6	3.4	0	0	0	110.1	W175	W175-D220 WeakPolarHBondContact CH2-O 3.27Å
221	V	71.8	Confident	67.5	Low	26 Å²	26	76 Å²	76	16%	0.158	38%	0.383	C	S	.	.			trans	-105.1	123.8	-178.3	-175.8	0	0	0	0	108.4	L219 T223 I242	L219-V221 HydrophobicContact CB-CG2 4.02Å; L219-V221 PolarHBondContact O-N 2.6Å; L219-V221 VanDerWaalsContact O-N 3.11Å; V221-T223 WeakPolarHBondContact CB-OG1 3.06Å; V221-T223 HydrophobicContact CG1-CG2 4.39Å; V221-T223 WeakPolarHBondContact CG1-OG1 2.88Å; V221-T223 PolarHBondContact O-N 3.15Å; V221-I242 HydrophobicContact CG2-CG2 3.92Å
222	R	62.6	Low	66.6	Low	242 Å²	242	78 Å²	78	91%	0.913	39%	0.392	S	S	*	.			trans	-68.9	45.4	177.7	-79	-172.9	-174.3	121.9	-0.3	110.8
223	T	55.1	Low	65.8	Low	38 Å²	38	83.2 Å²	83.2	23%	0.233	42%	0.42	C	S	.	.			trans	-100.4	0	179.7	1.9	0	0	0	0	108.8	V221 I225 F241	V221-T223 WeakPolarHBondContact CB-OG1 3.06Å; V221-T223 HydrophobicContact CG1-CG2 4.39Å; V221-T223 WeakPolarHBondContact CG1-OG1 2.88Å; V221-T223 PolarHBondContact O-N 3.15Å; T223-I225 VanDerWaalsContact C-N 3.32Å; T223-F241 HydrophobicContact CG2-CD1 3.91Å; T223-F241 HydrophobicContact CG2-CE1 3Å; T223-F241 HydrophobicContact CG2-CZ 3.83Å
224	P	48.1	Very low	65.6	Low	127 Å²	127	82.4 Å²	82.4	83%	0.825	42%	0.417	S	S	*	.				0	0	0	8.5	0.1	0	0	0	111.8
225	I	46.4	Very low	65.5	Low	134 Å²	134	79 Å²	79	69%	0.687	40%	0.402	S	S	*	.	S	Bend		0	67.4	0	-59.6	169.1	0	0	0	108.4	T223 L227	T223-I225 VanDerWaalsContact C-N 3.32Å; I225-L227 PolarHBondContact O-N 2.99Å
226	A	44.5	Very low	65.4	Low	55 Å²	55	80.7 Å²	80.7	46%	0.455	41%	0.414	S	S	.	.				91.6	0	121.1	0	0	0	0	0	110.3	K228	A226-K228 PolarHBondContact O-N 3.47Å; A226-K228 VanDerWaalsContact O-N 3.08Å
227	L	53.1	Low	65.2	Low	105 Å²	105	88 Å²	88	55%	0.55	45%	0.446	S	S	.	.	S	Bend		0	6.4	0	-85.5	157.3	0	0	0	110.9	F207 L211 I225 S229	F207-L227 HydrophobicContact CD2-CD2 4.2Å; F207-L227 HydrophobicContact CE2-CD2 3.12Å; F207-L227 HydrophobicContact CZ-CD2 3.56Å; L211-L227 HydrophobicContact CB-CD2 4.05Å; I225-L227 PolarHBondContact O-N 2.99Å; L227-S229 VanDerWaalsContact C-N 3.34Å; L227-S229 PolarHBondContact O-N 3.5Å
228	K	47	Very low	65	Low	210 Å²	210	90.6 Å²	90.6	91%	0.913	46%	0.459	S	S	*	.	S	Bend	trans	-95	0	-179.4	-92.9	179.9	-176.7	-179.9	0	111	A226	A226-K228 PolarHBondContact O-N 3.47Å; A226-K228 VanDerWaalsContact O-N 3.08Å
229	S	50.5	Low	65.1	Low	87 Å²	87	86.5 Å²	86.5	61%	0.608	44%	0.444	S	S	*	.	S	Bend		0	0	0	56.7	0	0	0	0	109.6	L227 D231	L227-S229 VanDerWaalsContact C-N 3.34Å; L227-S229 PolarHBondContact O-N 3.5Å; S229-D231 VanDerWaalsContact C-N 3.33Å; S229-D231 PolarHBondContact O-N 3.02Å
230	F	60.8	Low	65.1	Low	35 Å²	35	89 Å²	89	15%	0.154	46%	0.457	C	S	.	.				0	96.8	0	-172.2	-104.5	0	0	0	111.1	C203 F207 F232 C235 L238 F239	C203-F230 HydrophobicContact CB-CE1 4.1Å; C203-F230 HydrophobicContact CB-CZ 3.9Å; F207-F230 HydrophobicContact CB-CD2 4.44Å; F207-F230 HydrophobicContact CB-CE2 4.04Å; F207-F230 HydrophobicContact CB-CZ 4.08Å; F207-F230 HydrophobicContact CD2-CB 4.42Å; F207-F230 AromaticContact CD2-CD2 3.29Å; F207-F230 HydrophobicContact CD2-CD2 3.29Å; F207-F230 AromaticContact CD2-CE2 3.58Å; F207-F230 HydrophobicContact CD2-CE2 3.58Å; F207-F230 AromaticContact CD2-CG 3.9Å; F207-F230 HydrophobicContact CD2-CG 3.9Å; F207-F230 HydrophobicContact CD2-CZ 4.38Å; F207-F230 HydrophobicContact CE2-CB 4.07Å; F207-F230 AromaticContact CE2-CD2 3.62Å; F207-F230 HydrophobicContact CE2-CD2 3.62Å; F207-F230 HydrophobicContact CE2-CE2 4.35Å; F207-F230 HydrophobicContact CE2-CG 4.05Å; F207-F230 AromaticContact CG-CD2 3.99Å; F207-F230 HydrophobicContact CG-CD2 3.99Å; F207-F230 HydrophobicContact CG-CE2 4.09Å; F207-F230 HydrophobicContact CG-CG 4.3Å; F207-F230 HydrophobicContact CG-CZ 4.47Å; F207-F230 HydrophobicContact CZ-CB 4.27Å; F230-F232 HydrophobicContact CD1-CD1 4.03Å; F230-F232 AromaticContact CD1-CE1 3.88Å; F230-F232 HydrophobicContact CD1-CE1 3.88Å; F230-F232 HydrophobicContact CD1-CE2 4.38Å; F230-F232 HydrophobicContact CD1-CG 4.35Å; F230-F232 HydrophobicContact CD1-CZ 4.06Å; F230-F232 AromaticContact CE1-CD1 3.49Å; F230-F232 HydrophobicContact CE1-CD1 3.49Å; F230-F232 VanDerWaalsContact CE1-CD1 3.49Å; F230-F232 AromaticContact CE1-CE1 3.48Å; F230-F232 HydrophobicContact CE1-CE1 3.48Å; F230-F232 VanDerWaalsContact CE1-CE1 3.48Å; F230-F232 HydrophobicContact CE1-CG 4.16Å; F230-F232 HydrophobicContact CE1-CZ 4.14Å; F230-C235 HydrophobicContact CE1-CB 4.39Å; F230-C235 WeakPolarHBondContact CE1-SG 3.3Å; F230-C235 HydrophobicContact CE2-CB 4.13Å; F230-C235 WeakPolarHBondContact CE2-SG 2.96Å; F230-C235 HydrophobicContact CZ-CB 3.62Å; F230-C235 WeakPolarHBondContact CZ-SG 3.28Å; F230-L238 HydrophobicContact CD2-CD2 4.09Å; F230-L238 HydrophobicContact CE2-CD2 4.01Å; F230-F239 HydrophobicContact CE2-CE1 4.09Å; F230-F239 HydrophobicContact CE2-CZ 4.12Å; F230-F239 HydrophobicContact CZ-CE1 4.47Å; F230-F239 HydrophobicContact CZ-CZ 4.04Å
231	D	64.4	Low	65.3	Low	85 Å²	85	87.9 Å²	87.9	46%	0.455	45%	0.447	S	S	.	.			trans	-83.7	117.2	172.6	-167.3	-8	0	0	0	110	S229 N233 E234 C235	S229-D231 VanDerWaalsContact C-N 3.33Å; S229-D231 PolarHBondContact O-N 3.02Å; D231-N233 PolarHBondContact O-N 2.96Å; D231-N233 PolarHBondContact OD1-N 2.82Å; D231-E234 PolarHBondContact O-N 3.22Å; D231-E234 VanDerWaalsContact O-N 3.14Å; D231-C235 PolarHBondContact O-SG 3.34Å
232	F	65.1	Low	66	Low	53 Å²	53	86.9 Å²	86.9	23%	0.232	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-63.8	-15.9	-175.8	-75.7	-78.6	0	0	0	110.7	K200 C203 L204 F230 E234 C235	K200-F232 HydrophobicContact CB-CD1 4.02Å; K200-F232 HydrophobicContact CB-CE1 4.25Å; K200-F232 HydrophobicContact CG-CB 4.15Å; K200-F232 HydrophobicContact CG-CD1 3.99Å; K200-F232 HydrophobicContact CG-CG 4.11Å; K200-F232 WeakPolarHBondContact O-CE1 3.18Å; C203-F232 HydrophobicContact CB-CD1 4.26Å; L204-F232 HydrophobicContact CB-CE1 4.25Å; L204-F232 HydrophobicContact CD1-CZ 4.28Å; F230-F232 HydrophobicContact CD1-CD1 4.03Å; F230-F232 AromaticContact CD1-CE1 3.88Å; F230-F232 HydrophobicContact CD1-CE1 3.88Å; F230-F232 HydrophobicContact CD1-CE2 4.38Å; F230-F232 HydrophobicContact CD1-CG 4.35Å; F230-F232 HydrophobicContact CD1-CZ 4.06Å; F230-F232 AromaticContact CE1-CD1 3.49Å; F230-F232 HydrophobicContact CE1-CD1 3.49Å; F230-F232 VanDerWaalsContact CE1-CD1 3.49Å; F230-F232 AromaticContact CE1-CE1 3.48Å; F230-F232 HydrophobicContact CE1-CE1 3.48Å; F230-F232 VanDerWaalsContact CE1-CE1 3.48Å; F230-F232 HydrophobicContact CE1-CG 4.16Å; F230-F232 HydrophobicContact CE1-CZ 4.14Å; F232-E234 PolarHBondContact O-N 2.9Å; F232-C235 WeakPolarHBondContact CA-SG 2.33Å
233	N	62.8	Low	67.1	Low	141 Å²	141	75.9 Å²	75.9	75%	0.754	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-85.9	-10.2	-174	-76.3	-21.9	0	0	0	110.8	D231	D231-N233 PolarHBondContact O-N 2.96Å; D231-N233 PolarHBondContact OD1-N 2.82Å
234	E	69.8	Low	68.4	Low	114 Å²	114	80.2 Å²	80.2	53%	0.533	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-127.1	19.7	-178.7	-72.2	-175.9	177.3	0	0	110	D231 F232 S236 K237 L238	D231-E234 PolarHBondContact O-N 3.22Å; D231-E234 VanDerWaalsContact O-N 3.14Å; F232-E234 PolarHBondContact O-N 2.9Å; E234-S236 VanDerWaalsContact C-N 3.32Å; E234-K237 PolarHBondContact O-N 3.39Å; E234-L238 WeakPolarHBondContact O-CB 3.32Å; E234-L238 PolarHBondContact O-N 3.41Å
235	C	75.7	Confident	70	Confident	1 Å²	1	76.8 Å²	76.8	1%	0.007	39%	0.39	C	S	.	.	H	α-helix	trans	-69.5	-34.8	-172.3	-71.4	0	0	0	0	110.1	C203 F230 D231 F232 K237 L238 F239	C203-C235 HydrophobicContact CB-CB 4.11Å; F230-C235 HydrophobicContact CE1-CB 4.39Å; F230-C235 WeakPolarHBondContact CE1-SG 3.3Å; F230-C235 HydrophobicContact CE2-CB 4.13Å; F230-C235 WeakPolarHBondContact CE2-SG 2.96Å; F230-C235 HydrophobicContact CZ-CB 3.62Å; F230-C235 WeakPolarHBondContact CZ-SG 3.28Å; D231-C235 PolarHBondContact O-SG 3.34Å; F232-C235 WeakPolarHBondContact CA-SG 2.33Å; C235-K237 VanDerWaalsContact C-N 3.31Å; C235-K237 PolarHBondContact O-N 2.99Å; C235-L238 WeakPolarHBondContact O-CB 2.99Å; C235-L238 PolarHBondContact O-N 3.31Å; C235-F239 HydrophobicContact CB-CE2 4.27Å; C235-F239 HydrophobicContact CB-CZ 4.39Å; C235-F239 WeakPolarHBondContact O-CB 3.43Å; C235-F239 WeakPolarHBondContact O-CD2 3.27Å; C235-F239 WeakPolarHBondContact O-CG 2.65Å; C235-F239 PolarHBondContact O-N 3.29Å
236	S	77	Confident	71.9	Confident	35 Å²	35	70.4 Å²	70.4	25%	0.245	36%	0.358	C	S	.	.	H	α-helix	trans	-63.7	-40.6	178.2	-175.7	0	0	0	0	111	Q186 E234 L238 F239 N240	Q186-S236 PolarHBondContact NE2-O 2.73Å; Q186-S236 PolarHBondContact NE2-OG 2.97Å; Q186-S236 VanDerWaalsContact NE2-OG 3.08Å; Q186-S236 PolarHBondContact OE1-OG 3.29Å; E234-S236 VanDerWaalsContact C-N 3.32Å; S236-L238 VanDerWaalsContact C-N 3.3Å; S236-F239 PolarHBondContact O-N 2.81Å; S236-N240 WeakPolarHBondContact O-CB 3.45Å; S236-N240 VanDerWaalsContact O-CG 3.27Å; S236-N240 PolarHBondContact O-N 3.3Å; S236-N240 PolarHBondContact O-ND2 3.42Å
237	K	79.7	Confident	73.9	Confident	154 Å²	154	69.9 Å²	69.9	67%	0.67	35%	0.347	S	S	*	.	H	α-helix	trans	-68.3	-41.9	178.7	-71.3	-179.4	-175	177	0	110.9	E234 C235 F239 N240 F241	E234-K237 PolarHBondContact O-N 3.39Å; C235-K237 VanDerWaalsContact C-N 3.31Å; C235-K237 PolarHBondContact O-N 2.99Å; K237-F239 VanDerWaalsContact C-N 3.34Å; K237-N240 PolarHBondContact O-N 3.49Å; K237-F241 VanDerWaalsContact O-CB 3.26Å; K237-F241 WeakPolarHBondContact O-CB 2.91Å; K237-F241 PolarHBondContact O-N 3.15Å
238	L	82.1	Confident	75.4	Confident	53 Å²	53	69.8 Å²	69.8	28%	0.277	35%	0.347	S	S	.	.	H	α-helix	trans	-61.1	-49	178.8	177.3	71.7	0	0	0	110.7	L211 F230 E234 C235 S236 N240 F241 I242	L211-L238 HydrophobicContact CD1-CD2 4.43Å; F230-L238 HydrophobicContact CD2-CD2 4.09Å; F230-L238 HydrophobicContact CE2-CD2 4.01Å; E234-L238 WeakPolarHBondContact O-CB 3.32Å; E234-L238 PolarHBondContact O-N 3.41Å; C235-L238 WeakPolarHBondContact O-CB 2.99Å; C235-L238 PolarHBondContact O-N 3.31Å; S236-L238 VanDerWaalsContact C-N 3.3Å; L238-N240 VanDerWaalsContact C-N 3.28Å; L238-N240 PolarHBondContact O-N 3.12Å; L238-F241 WeakPolarHBondContact O-CB 3.45Å; L238-F241 PolarHBondContact O-N 3.4Å; L238-F241 VanDerWaalsContact O-N 3.17Å; L238-I242 HydrophobicContact CD1-CD1 4.32Å; L238-I242 HydrophobicContact CG-CD1 3.98Å; L238-I242 VanDerWaalsContact O-CG1 3.28Å; L238-I242 WeakPolarHBondContact O-CG1 3.23Å; L238-I242 PolarHBondContact O-N 3.33Å
239	F	87	Confident	77.3	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60	-40.4	-179.8	-69.2	-17	0	0	0	110.8	F178 N182 F185 C203 I206 L211 F230 C235 S236 K237 F241 I242 D243	F178-F239 HydrophobicContact CZ-CB 4.47Å; F178-F239 HydrophobicContact CZ-CD1 4.37Å; N182-F239 WeakPolarHBondContact OD1-CB 3.31Å; F185-F239 HydrophobicContact CD1-CD2 4.28Å; F185-F239 HydrophobicContact CE1-CD2 4.16Å; C203-F239 HydrophobicContact CB-CE2 4.34Å; C203-F239 HydrophobicContact CB-CZ 4.49Å; I206-F239 HydrophobicContact CB-CE2 3.92Å; I206-F239 HydrophobicContact CB-CZ 3.83Å; I206-F239 HydrophobicContact CD1-CD2 4.27Å; I206-F239 HydrophobicContact CD1-CE2 3.89Å; I206-F239 HydrophobicContact CG2-CD1 4.47Å; I206-F239 HydrophobicContact CG2-CD2 4.32Å; I206-F239 HydrophobicContact CG2-CE1 4.01Å; I206-F239 HydrophobicContact CG2-CE2 3.84Å; I206-F239 HydrophobicContact CG2-CZ 3.66Å; L211-F239 HydrophobicContact CD1-CD1 3.92Å; L211-F239 HydrophobicContact CD1-CE1 3.45Å; L211-F239 VanDerWaalsContact CD1-CE1 3.45Å; F230-F239 HydrophobicContact CE2-CE1 4.09Å; F230-F239 HydrophobicContact CE2-CZ 4.12Å; F230-F239 HydrophobicContact CZ-CE1 4.47Å; F230-F239 HydrophobicContact CZ-CZ 4.04Å; C235-F239 HydrophobicContact CB-CE2 4.27Å; C235-F239 HydrophobicContact CB-CZ 4.39Å; C235-F239 WeakPolarHBondContact O-CB 3.43Å; C235-F239 WeakPolarHBondContact O-CD2 3.27Å; C235-F239 WeakPolarHBondContact O-CG 2.65Å; C235-F239 PolarHBondContact O-N 3.29Å; S236-F239 PolarHBondContact O-N 2.81Å; K237-F239 VanDerWaalsContact C-N 3.34Å; F239-F241 PolarHBondContact O-N 3.13Å; F239-I242 PolarHBondContact O-N 2.93Å; F239-D243 VanDerWaalsContact O-CB 3.26Å; F239-D243 WeakPolarHBondContact O-CB 3.38Å; F239-D243 PolarHBondContact O-N 3.32Å
240	N	84.8	Confident	79.2	Confident	62 Å²	62	59.4 Å²	59.4	33%	0.332	29%	0.292	S	S	.	.	H	α-helix	trans	-65	-39.7	179.3	-79.5	-29	0	0	0	110.9	Q186 S236 K237 L238 I242 D243 Q244	Q186-N240 PolarHBondContact NE2-ND2 3.23Å; Q186-N240 VanDerWaalsContact NE2-ND2 3.17Å; Q186-N240 PolarHBondContact NE2-OD1 3.43Å; S236-N240 WeakPolarHBondContact O-CB 3.45Å; S236-N240 VanDerWaalsContact O-CG 3.27Å; S236-N240 PolarHBondContact O-N 3.3Å; S236-N240 PolarHBondContact O-ND2 3.42Å; K237-N240 PolarHBondContact O-N 3.49Å; L238-N240 VanDerWaalsContact C-N 3.28Å; L238-N240 PolarHBondContact O-N 3.12Å; N240-I242 VanDerWaalsContact C-N 3.29Å; N240-D243 WeakPolarHBondContact O-CB 3.5Å; N240-D243 PolarHBondContact O-N 2.77Å; N240-Q244 WeakPolarHBondContact O-CG 3.34Å; N240-Q244 PolarHBondContact O-N 2.92Å
241	F	83.2	Confident	80.7	Confident	89 Å²	89	61.9 Å²	61.9	39%	0.39	31%	0.305	S	S	.	.	H	α-helix	trans	-61.6	-47.1	176.8	176.7	-101.2	0	0	0	111.1	T223 K237 L238 F239 D243 Q244 Q245	T223-F241 HydrophobicContact CG2-CD1 3.91Å; T223-F241 HydrophobicContact CG2-CE1 3Å; T223-F241 HydrophobicContact CG2-CZ 3.83Å; K237-F241 VanDerWaalsContact O-CB 3.26Å; K237-F241 WeakPolarHBondContact O-CB 2.91Å; K237-F241 PolarHBondContact O-N 3.15Å; L238-F241 WeakPolarHBondContact O-CB 3.45Å; L238-F241 PolarHBondContact O-N 3.4Å; L238-F241 VanDerWaalsContact O-N 3.17Å; F239-F241 PolarHBondContact O-N 3.13Å; F241-D243 PolarHBondContact O-N 3.46Å; F241-Q244 WeakPolarHBondContact O-CB 3.42Å; F241-Q244 PolarHBondContact O-N 3.24Å; F241-Q245 VanDerWaalsContact CZ-NE2 3.25Å; F241-Q245 PolarHBondContact O-N 2.87Å
242	I	85.5	Confident	81.9	Confident	5 Å²	5	62.1 Å²	62.1	3%	0.026	31%	0.305	C	S	.	.	H	α-helix	trans	-65.5	-35.4	180	-67.5	173.8	0	0	0	109.7	F178 L211 V221 L238 F239 N240 Q244 Q245 C246	F178-I242 HydrophobicContact CD1-CG2 4.28Å; F178-I242 HydrophobicContact CE1-CB 3.97Å; F178-I242 HydrophobicContact CE1-CG2 3.49Å; F178-I242 VanDerWaalsContact CE1-CG2 3.49Å; F178-I242 HydrophobicContact CZ-CB 4.03Å; F178-I242 HydrophobicContact CZ-CG2 3.76Å; L211-I242 HydrophobicContact CD1-CD1 3.61Å; L211-I242 HydrophobicContact CD2-CD1 3.4Å; L211-I242 VanDerWaalsContact CD2-CD1 3.4Å; L211-I242 HydrophobicContact CD2-CG2 4.47Å; L211-I242 HydrophobicContact CG-CD1 4.16Å; V221-I242 HydrophobicContact CG2-CG2 3.92Å; L238-I242 HydrophobicContact CD1-CD1 4.32Å; L238-I242 HydrophobicContact CG-CD1 3.98Å; L238-I242 VanDerWaalsContact O-CG1 3.28Å; L238-I242 WeakPolarHBondContact O-CG1 3.23Å; L238-I242 PolarHBondContact O-N 3.33Å; F239-I242 PolarHBondContact O-N 2.93Å; N240-I242 VanDerWaalsContact C-N 3.29Å; I242-Q244 PolarHBondContact O-N 3.38Å; I242-Q245 WeakPolarHBondContact O-CB 3.44Å; I242-Q245 PolarHBondContact O-N 3.5Å; I242-C246 PolarHBondContact O-N 3.41Å; I242-C246 PolarHBondContact O-SG 3.07Å
243	D	86.9	Confident	83.1	Confident	10 Å²	10	61.3 Å²	61.3	5%	0.053	30%	0.302	C	S	.	.	H	α-helix	trans	-61.2	-35.7	179.4	-164.3	46.2	0	0	0	110.5	F178 H179 N182 Q183 F239 N240 F241 Q245 C246 L247	F178-D243 HydrophobicContact CE1-CB 4.5Å; H179-D243 VanDerWaalsContact CA-OD1 3.29Å; H179-D243 WeakPolarHBondContact CA-OD1 3.44Å; H179-D243 IonicContact CE1-OD1 3.78Å; H179-D243 IonicContact CE1-OD2 2.68Å; H179-D243 IonicContact CG-OD1 2.8Å; H179-D243 VanDerWaalsContact ND1-CG 3.33Å; H179-D243 IonicContact ND1-OD1 3.86Å; H179-D243 PolarHBondContact ND1-OD1 3.43Å; H179-D243 IonicContact ND1-OD2 3.44Å; H179-D243 PolarHBondContact ND1-OD2 2.84Å; N182-D243 WeakPolarHBondContact ND2-CB 3.4Å; Q183-D243 PolarHBondContact NE2-OD2 2.97Å; F239-D243 VanDerWaalsContact O-CB 3.26Å; F239-D243 WeakPolarHBondContact O-CB 3.38Å; F239-D243 PolarHBondContact O-N 3.32Å; N240-D243 WeakPolarHBondContact O-CB 3.5Å; N240-D243 PolarHBondContact O-N 2.77Å; F241-D243 PolarHBondContact O-N 3.46Å; D243-Q245 PolarHBondContact O-N 2.79Å; D243-C246 WeakPolarHBondContact O-CB 3.42Å; D243-C246 PolarHBondContact O-N 2.74Å; D243-L247 PolarHBondContact O-N 3.41Å; D243-L247 VanDerWaalsContact O-N 3.13Å
244	Q	82.8	Confident	84.4	Confident	129 Å²	129	54.6 Å²	54.6	60%	0.603	27%	0.266	S	S	*	.	H	α-helix	trans	-67.8	-32.5	179.1	-76.1	-177.4	-7.7	0	0	110.6	N240 F241 I242 C246	N240-Q244 WeakPolarHBondContact O-CG 3.34Å; N240-Q244 PolarHBondContact O-N 2.92Å; F241-Q244 WeakPolarHBondContact O-CB 3.42Å; F241-Q244 PolarHBondContact O-N 3.24Å; I242-Q244 PolarHBondContact O-N 3.38Å; Q244-C246 VanDerWaalsContact C-N 3.3Å
245	Q	81.6	Confident	85.4	Confident	55 Å²	55	52 Å²	52	26%	0.257	26%	0.26	S	S	.	.	H	α-helix	trans	-75.9	-33.3	177.2	-69.1	-174.5	5	0	0	111.3	F241 I242 D243 L247 N248	F241-Q245 VanDerWaalsContact CZ-NE2 3.25Å; F241-Q245 PolarHBondContact O-N 2.87Å; I242-Q245 WeakPolarHBondContact O-CB 3.44Å; I242-Q245 PolarHBondContact O-N 3.5Å; D243-Q245 PolarHBondContact O-N 2.79Å; Q245-L247 PolarHBondContact O-N 2.43Å; Q245-N248 PolarHBondContact O-N 3.17Å
246	C	85	Confident	86.1	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-66.9	-33.3	-179.1	-73.5	0	0	0	0	110.8	W175 F178 I242 D243 Q244 N248 Q249 I250	W175-C246 HydrophobicContact CE3-CB 3.92Å; F178-C246 VanDerWaalsContact CD1-SG 3.58Å; I242-C246 PolarHBondContact O-N 3.41Å; I242-C246 PolarHBondContact O-SG 3.07Å; D243-C246 WeakPolarHBondContact O-CB 3.42Å; D243-C246 PolarHBondContact O-N 2.74Å; Q244-C246 VanDerWaalsContact C-N 3.3Å; C246-N248 PolarHBondContact O-N 2.86Å; C246-Q249 WeakPolarHBondContact O-CB 3.5Å; C246-Q249 PolarHBondContact O-N 3.31Å; C246-I250 WeakPolarHBondContact O-CG1 3.48Å; C246-I250 PolarHBondContact O-N 3.25Å
247	L	87	Confident	86.6	Confident	44 Å²	44	54 Å²	54	23%	0.23	27%	0.265	C	S	.	.	H	α-helix	trans	-63.7	-32.7	-177.1	-80.1	173.1	0	0	0	110.2	L153 H179 D243 Q245 Q249 I250 E251	L153-L247 HydrophobicContact CD1-CD2 4.23Å; H179-L247 VanDerWaalsContact CE1-CD2 3.47Å; H179-L247 WeakPolarHBondContact CE1-CD2 3.5Å; D243-L247 PolarHBondContact O-N 3.41Å; D243-L247 VanDerWaalsContact O-N 3.13Å; Q245-L247 PolarHBondContact O-N 2.43Å; L247-Q249 VanDerWaalsContact C-N 3.3Å; L247-I250 PolarHBondContact O-N 3.19Å; L247-E251 WeakPolarHBondContact O-CA 3.49Å; L247-E251 WeakPolarHBondContact O-CB 3.22Å; L247-E251 PolarHBondContact O-N 2.92Å
248	N	85.8	Confident	87	Confident	104 Å²	104	47.1 Å²	47.1	56%	0.556	24%	0.236	S	C	*	.	H	α-helix	trans	-66.6	-41.4	177.1	-71.9	-27.1	0	0	0	111.4	Q245 C246 I250 E251 L252	Q245-N248 PolarHBondContact O-N 3.17Å; C246-N248 PolarHBondContact O-N 2.86Å; N248-I250 VanDerWaalsContact C-N 3.26Å; N248-I250 PolarHBondContact O-N 3.25Å; N248-E251 WeakPolarHBondContact O-CB 3.43Å; N248-E251 PolarHBondContact O-N 3.48Å; N248-L252 PolarHBondContact O-N 3.47Å; N248-L252 VanDerWaalsContact O-N 3.11Å
249	Q	85.8	Confident	87.2	Confident	77 Å²	77	50.1 Å²	50.1	36%	0.36	25%	0.249	S	C	.	.	H	α-helix	trans	-68.3	-36.8	178.8	-68	-63.5	-32.7	0	0	111	W175 C246 L247 E251 L252 Q253	W175-Q249 HydrophobicContact CD2-CB 3.76Å; W175-Q249 HydrophobicContact CD2-CG 3.97Å; W175-Q249 HydrophobicContact CE3-CB 3.84Å; W175-Q249 HydrophobicContact CE3-CG 3.79Å; W175-Q249 HydrophobicContact CG-CB 4.09Å; W175-Q249 HydrophobicContact CH2-CG 3.79Å; W175-Q249 HydrophobicContact CZ2-CG 3.98Å; W175-Q249 HydrophobicContact CZ3-CB 4.29Å; W175-Q249 HydrophobicContact CZ3-CG 3.69Å; C246-Q249 WeakPolarHBondContact O-CB 3.5Å; C246-Q249 PolarHBondContact O-N 3.31Å; L247-Q249 VanDerWaalsContact C-N 3.3Å; Q249-E251 PolarHBondContact O-N 3.17Å; Q249-L252 WeakPolarHBondContact O-CB 3.43Å; Q249-L252 PolarHBondContact O-N 3.07Å; Q249-Q253 WeakPolarHBondContact O-CG 3.48Å; Q249-Q253 PolarHBondContact O-N 3.41Å
250	I	90.6	Very high	87.1	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-69	-36	179.6	-66	173.2	0	0	0	109.1	A149 L153 F162 W175 H179 C246 L247 N248 L252 Q253 V254	A149-I250 HydrophobicContact CB-CB 4.39Å; A149-I250 HydrophobicContact CB-CG2 3.83Å; L153-I250 HydrophobicContact CD1-CD1 4.08Å; L153-I250 HydrophobicContact CD1-CG2 4.22Å; F162-I250 HydrophobicContact CE1-CG2 3.98Å; F162-I250 HydrophobicContact CZ-CG2 4.21Å; W175-I250 HydrophobicContact CB-CD1 4.49Å; W175-I250 HydrophobicContact CB-CG1 3.86Å; H179-I250 HydrophobicContact CB-CD1 3.81Å; C246-I250 WeakPolarHBondContact O-CG1 3.48Å; C246-I250 PolarHBondContact O-N 3.25Å; L247-I250 PolarHBondContact O-N 3.19Å; N248-I250 VanDerWaalsContact C-N 3.26Å; N248-I250 PolarHBondContact O-N 3.25Å; I250-L252 PolarHBondContact O-N 2.97Å; I250-Q253 PolarHBondContact O-N 2.78Å; I250-Q253 VanDerWaalsContact O-N 3.09Å; I250-V254 HydrophobicContact CG2-CG2 4.04Å; I250-V254 VanDerWaalsContact O-CG2 3.27Å; I250-V254 WeakPolarHBondContact O-CG2 3.47Å; I250-V254 PolarHBondContact O-N 3.16Å
251	E	91.7	Very high	87.1	Confident	88 Å²	88	47.5 Å²	47.5	41%	0.411	24%	0.236	S	C	.	.	H	α-helix	trans	-63.1	-36.1	179.2	-166	161.7	-175.6	0	0	110.3	A149 L247 N248 Q249 Q253 V254 S255	A149-E251 HydrophobicContact CB-CB 4.27Å; L247-E251 WeakPolarHBondContact O-CA 3.49Å; L247-E251 WeakPolarHBondContact O-CB 3.22Å; L247-E251 PolarHBondContact O-N 2.92Å; N248-E251 WeakPolarHBondContact O-CB 3.43Å; N248-E251 PolarHBondContact O-N 3.48Å; Q249-E251 PolarHBondContact O-N 3.17Å; E251-Q253 VanDerWaalsContact C-N 3.31Å; E251-Q253 PolarHBondContact O-N 3.42Å; E251-V254 PolarHBondContact O-N 3.42Å; E251-S255 WeakPolarHBondContact O-CB 3.25Å; E251-S255 PolarHBondContact O-N 3.44Å; E251-S255 PolarHBondContact O-OG 3.13Å
252	L	90	Very high	87	Confident	89 Å²	89	47.2 Å²	47.2	47%	0.466	24%	0.239	S	C	.	.	H	α-helix	trans	-65.6	-40.8	177.3	-177.8	64.1	0	0	0	111.1	N248 Q249 I250 S255 K256	N248-L252 PolarHBondContact O-N 3.47Å; N248-L252 VanDerWaalsContact O-N 3.11Å; Q249-L252 WeakPolarHBondContact O-CB 3.43Å; Q249-L252 PolarHBondContact O-N 3.07Å; I250-L252 PolarHBondContact O-N 2.97Å; L252-S255 PolarHBondContact O-N 3.32Å; L252-K256 WeakPolarHBondContact O-CG 3.35Å; L252-K256 PolarHBondContact O-N 3.37Å
253	Q	89.7	Confident	86.8	Confident	37 Å²	37	52.7 Å²	52.7	17%	0.173	27%	0.267	C	S	.	.	H	α-helix	trans	-70.8	0	-180	-64.4	-69.5	-32.5	0	0	111	F162 L166 Q249 I250 E251 S255 K256 L257	F162-Q253 HydrophobicContact CE2-CB 3.91Å; F162-Q253 HydrophobicContact CZ-CB 3.66Å; L166-Q253 HydrophobicContact CD2-CB 4.46Å; Q249-Q253 WeakPolarHBondContact O-CG 3.48Å; Q249-Q253 PolarHBondContact O-N 3.41Å; I250-Q253 PolarHBondContact O-N 2.78Å; I250-Q253 VanDerWaalsContact O-N 3.09Å; E251-Q253 VanDerWaalsContact C-N 3.31Å; E251-Q253 PolarHBondContact O-N 3.42Å; Q253-S255 VanDerWaalsContact C-N 3.3Å; Q253-K256 WeakPolarHBondContact O-CB 3.33Å; Q253-K256 PolarHBondContact O-N 3.13Å; Q253-L257 PolarHBondContact O-N 3.43Å; Q253-L257 VanDerWaalsContact O-N 3.09Å
254	V	91.8	Very high	86	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.276	C	S	.	.	H	α-helix		0	-36.2	0	168.7	0	0	0	0	109.1	F146 A149 V152 F162 I250 E251 K256 L257 A258	F146-V254 HydrophobicContact CB-CG1 4.18Å; F146-V254 WeakPolarHBondContact O-CG1 3.42Å; A149-V254 HydrophobicContact CB-CG2 4.19Å; V152-V254 HydrophobicContact CG2-CG1 4.11Å; F162-V254 HydrophobicContact CD2-CG2 4.15Å; F162-V254 HydrophobicContact CE1-CG2 4.28Å; F162-V254 HydrophobicContact CE2-CG2 3.76Å; F162-V254 HydrophobicContact CZ-CG2 3.83Å; I250-V254 HydrophobicContact CG2-CG2 4.04Å; I250-V254 VanDerWaalsContact O-CG2 3.27Å; I250-V254 WeakPolarHBondContact O-CG2 3.47Å; I250-V254 PolarHBondContact O-N 3.16Å; E251-V254 PolarHBondContact O-N 3.42Å; V254-K256 PolarHBondContact O-N 2.84Å; V254-L257 CarbonylContact O-C 2.76Å; V254-L257 WeakPolarHBondContact O-CB 2.76Å; V254-L257 PolarHBondContact O-N 3.27Å; V254-L257 VanDerWaalsContact O-N 3.13Å; V254-A258 WeakPolarHBondContact O-CB 3.49Å; V254-A258 PolarHBondContact O-N 2.99Å
255	S	90.3	Very high	85.3	Confident	58 Å²	58	51.4 Å²	51.4	41%	0.406	27%	0.268	S	S	.	.	H	α-helix	trans	-64.8	-36.1	178.4	-67	0	0	0	0	110.5	E251 L252 Q253 L257 A258 E259	E251-S255 WeakPolarHBondContact O-CB 3.25Å; E251-S255 PolarHBondContact O-N 3.44Å; E251-S255 PolarHBondContact O-OG 3.13Å; L252-S255 PolarHBondContact O-N 3.32Å; Q253-S255 VanDerWaalsContact C-N 3.3Å; S255-L257 VanDerWaalsContact C-N 3.25Å; S255-L257 PolarHBondContact O-N 3.15Å; S255-A258 WeakPolarHBondContact O-CB 3.36Å; S255-A258 PolarHBondContact O-N 2.76Å; S255-E259 WeakPolarHBondContact O-CB 3.34Å; S255-E259 PolarHBondContact O-N 3.35Å
256	K	89	Confident	84.4	Confident	77 Å²	77	52.7 Å²	52.7	34%	0.335	28%	0.277	S	S	.	.	H	α-helix	trans	-64.8	-39.5	176.4	-72.2	-177.9	-177.5	177.7	0	111.3	R171 L252 Q253 V254 A258 E259 A260	R171-K256 VanDerWaalsContact CZ-CD 3.41Å; L252-K256 WeakPolarHBondContact O-CG 3.35Å; L252-K256 PolarHBondContact O-N 3.37Å; Q253-K256 WeakPolarHBondContact O-CB 3.33Å; Q253-K256 PolarHBondContact O-N 3.13Å; V254-K256 PolarHBondContact O-N 2.84Å; K256-A258 VanDerWaalsContact C-N 3.27Å; K256-E259 PolarHBondContact O-N 2.87Å; K256-A260 WeakPolarHBondContact O-CB 3.34Å; K256-A260 PolarHBondContact O-N 3.29Å
257	L	88.7	Confident	83.2	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.016	30%	0.295	C	S	.	.	H	α-helix	trans	-65.2	-42.3	176.4	172.9	64.8	0	0	0	110.5	F146 F162 Y165 Q253 V254 S255 E259 A260 I261 W268	F146-L257 HydrophobicContact CD1-CD2 3.44Å; F146-L257 VanDerWaalsContact CD1-CD2 3.44Å; F146-L257 HydrophobicContact CD1-CG 4.4Å; F146-L257 HydrophobicContact CE1-CD2 3.63Å; F146-L257 HydrophobicContact CG-CD2 4.15Å; F146-L257 HydrophobicContact CZ-CD2 4.47Å; F162-L257 HydrophobicContact CD2-CD2 4.04Å; Y165-L257 HydrophobicContact CD1-CB 4.31Å; Y165-L257 HydrophobicContact CD1-CD1 4.21Å; Y165-L257 HydrophobicContact CD2-CD1 3.61Å; Y165-L257 HydrophobicContact CE1-CB 4.2Å; Y165-L257 HydrophobicContact CE2-CD1 3.98Å; Y165-L257 HydrophobicContact CG-CD1 3.75Å; Q253-L257 PolarHBondContact O-N 3.43Å; Q253-L257 VanDerWaalsContact O-N 3.09Å; V254-L257 CarbonylContact O-C 2.76Å; V254-L257 WeakPolarHBondContact O-CB 2.76Å; V254-L257 PolarHBondContact O-N 3.27Å; V254-L257 VanDerWaalsContact O-N 3.13Å; S255-L257 VanDerWaalsContact C-N 3.25Å; S255-L257 PolarHBondContact O-N 3.15Å; L257-E259 PolarHBondContact O-N 3.12Å; L257-A260 WeakPolarHBondContact O-CB 3.42Å; L257-A260 PolarHBondContact O-N 3.44Å; L257-A260 VanDerWaalsContact O-N 3.16Å; L257-I261 HydrophobicContact CD1-CD1 4.33Å; L257-I261 HydrophobicContact CD1-CG1 4.32Å; L257-I261 HydrophobicContact CG-CD1 4.02Å; L257-I261 HydrophobicContact CG-CG1 4.42Å; L257-I261 WeakPolarHBondContact O-CG1 3.12Å; L257-I261 PolarHBondContact O-N 3.49Å; L257-W268 HydrophobicContact CD1-CB 3.61Å; L257-W268 HydrophobicContact CD1-CG 4.38Å
258	A	88.6	Confident	82	Confident	8 Å²	8	54.9 Å²	54.9	7%	0.066	29%	0.289	C	S	.	.	H	α-helix	trans	-62.9	-38.3	179.3	0	0	0	0	0	110.4	S143 F146 V254 S255 K256 A260 I261 N262	S143-A258 PolarHBondContact OG-O 3.5Å; F146-A258 HydrophobicContact CB-CB 4.33Å; V254-A258 WeakPolarHBondContact O-CB 3.49Å; V254-A258 PolarHBondContact O-N 2.99Å; S255-A258 WeakPolarHBondContact O-CB 3.36Å; S255-A258 PolarHBondContact O-N 2.76Å; K256-A258 VanDerWaalsContact C-N 3.27Å; A258-A260 VanDerWaalsContact C-N 3.31Å; A258-I261 WeakPolarHBondContact O-CB 2.22Å; A258-I261 PolarHBondContact O-N 2.83Å; A258-N262 WeakPolarHBondContact O-CB 3.39Å; A258-N262 PolarHBondContact O-N 3.21Å; A258-N262 PolarHBondContact O-ND2 2.76Å
259	E	86.3	Confident	80.5	Confident	116 Å²	116	52.4 Å²	52.4	54%	0.542	28%	0.279	S	S	.	.	H	α-helix	trans	-66.4	-41.6	177.2	-172.6	178.4	178.9	0	0	111.2	S255 K256 L257 I261 N262 L263	S255-E259 WeakPolarHBondContact O-CB 3.34Å; S255-E259 PolarHBondContact O-N 3.35Å; K256-E259 PolarHBondContact O-N 2.87Å; L257-E259 PolarHBondContact O-N 3.12Å; E259-I261 PolarHBondContact O-N 3.23Å; E259-N262 CarbonylContact O-C 1.2Å; E259-N262 WeakPolarHBondContact O-CB 3Å; E259-N262 PolarHBondContact O-N 2.86Å; E259-L263 HydrophobicContact CG-CD1 3.91Å; E259-L263 HydrophobicContact CG-CG 4.26Å; E259-L263 WeakPolarHBondContact O-CB 2.87Å; E259-L263 WeakPolarHBondContact O-CG 3.38Å; E259-L263 PolarHBondContact O-N 3.04Å
260	A	84.1	Confident	78.8	Confident	6 Å²	6	50.4 Å²	50.4	5%	0.05	27%	0.271	C	S	.	.	H	α-helix	trans	-62.4	-34.6	177.9	0	0	0	0	0	111.5	K256 L257 A258 N262 L263 G264 M265	K256-A260 WeakPolarHBondContact O-CB 3.34Å; K256-A260 PolarHBondContact O-N 3.29Å; L257-A260 WeakPolarHBondContact O-CB 3.42Å; L257-A260 PolarHBondContact O-N 3.44Å; L257-A260 VanDerWaalsContact O-N 3.16Å; A258-A260 VanDerWaalsContact C-N 3.31Å; A260-N262 VanDerWaalsContact C-N 3.26Å; A260-L263 PolarHBondContact O-N 2.91Å; A260-G264 PolarHBondContact O-N 3.21Å; A260-M265 HydrophobicContact CB-CB 4.04Å; A260-M265 HydrophobicContact CB-SD 4.1Å; A260-M265 VanDerWaalsContact O-CB 3.31Å; A260-M265 WeakPolarHBondContact O-CB 3.25Å; A260-M265 PolarHBondContact O-N 3.41Å
261	I	84	Confident	76.9	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-71.2	-36.2	178.9	-69	174.7	0	0	0	109.2	L139 L142 F146 L257 A258 E259 L263 G264 W268	L139-I261 HydrophobicContact CD2-CG2 4.24Å; L139-I261 WeakPolarHBondContact CD2-O 3.19Å; L142-I261 HydrophobicContact CB-CG2 3.95Å; F146-I261 HydrophobicContact CB-CD1 4.49Å; F146-I261 HydrophobicContact CD2-CD1 3.52Å; F146-I261 HydrophobicContact CE2-CD1 3.86Å; F146-I261 HydrophobicContact CG-CD1 4.06Å; L257-I261 HydrophobicContact CD1-CD1 4.33Å; L257-I261 HydrophobicContact CD1-CG1 4.32Å; L257-I261 HydrophobicContact CG-CD1 4.02Å; L257-I261 HydrophobicContact CG-CG1 4.42Å; L257-I261 WeakPolarHBondContact O-CG1 3.12Å; L257-I261 PolarHBondContact O-N 3.49Å; A258-I261 WeakPolarHBondContact O-CB 2.22Å; A258-I261 PolarHBondContact O-N 2.83Å; E259-I261 PolarHBondContact O-N 3.23Å; I261-L263 VanDerWaalsContact C-N 3.26Å; I261-L263 PolarHBondContact O-N 2.98Å; I261-G264 PolarHBondContact O-N 3.45Å; I261-W268 HydrophobicContact CB-CZ2 4.39Å; I261-W268 HydrophobicContact CG1-CD2 3.75Å; I261-W268 HydrophobicContact CG1-CE3 4.21Å; I261-W268 HydrophobicContact CG1-CG 3.98Å; I261-W268 HydrophobicContact CG1-CZ2 4.23Å; I261-W268 HydrophobicContact CG2-CH2 4.31Å; I261-W268 HydrophobicContact CG2-CZ2 4.05Å
262	N	82.6	Confident	74.8	Confident	84 Å²	84	56.4 Å²	56.4	45%	0.449	31%	0.312	S	S	.	.	H	α-helix	trans	-71.8	0	-178.5	-88.1	-27.6	0	0	0	111.1	L139 S143 A258 E259 A260 G264	L139-N262 PolarHBondContact O-OD1 2.52Å; S143-N262 WeakPolarHBondContact CB-OD1 3.22Å; S143-N262 PolarHBondContact OG-ND2 3.06Å; S143-N262 PolarHBondContact OG-OD1 3.22Å; S143-N262 VanDerWaalsContact OG-OD1 3.06Å; A258-N262 WeakPolarHBondContact O-CB 3.39Å; A258-N262 PolarHBondContact O-N 3.21Å; A258-N262 PolarHBondContact O-ND2 2.76Å; E259-N262 CarbonylContact O-C 1.2Å; E259-N262 WeakPolarHBondContact O-CB 3Å; E259-N262 PolarHBondContact O-N 2.86Å; A260-N262 VanDerWaalsContact C-N 3.26Å; N262-G264 PolarHBondContact O-N 2.63Å
263	L	80.6	Confident	72.9	Confident	120 Å²	120	58.2 Å²	58.2	63%	0.628	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn		0	0	0	-72.3	171.3	0	0	0	110.6	E259 A260 I261 M265	E259-L263 HydrophobicContact CG-CD1 3.91Å; E259-L263 HydrophobicContact CG-CG 4.26Å; E259-L263 WeakPolarHBondContact O-CB 2.87Å; E259-L263 WeakPolarHBondContact O-CG 3.38Å; E259-L263 PolarHBondContact O-N 3.04Å; A260-L263 PolarHBondContact O-N 2.91Å; I261-L263 VanDerWaalsContact C-N 3.26Å; I261-L263 PolarHBondContact O-N 2.98Å; L263-M265 HydrophobicContact CB-CG 3.99Å; L263-M265 HydrophobicContact CD1-SD 4.35Å; L263-M265 PolarHBondContact O-N 3.07Å
264	G	69.7	Low	71.3	Confident	24 Å²	24	58.1 Å²	58.1	25%	0.247	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn		0	12.3	0	0	0	0	0	0	112.1	A260 I261 N262 D266	A260-G264 PolarHBondContact O-N 3.21Å; I261-G264 PolarHBondContact O-N 3.45Å; N262-G264 PolarHBondContact O-N 2.63Å; G264-D266 PolarHBondContact O-N 3.19Å
265	M	69	Low	69.9	Low	88 Å²	88	62 Å²	62	43%	0.433	35%	0.35	S	S	.	.			trans	-66.8	124.2	176.6	-67.1	-176.3	74.3	0	0	110.9	A260 L263 T267 W268	A260-M265 HydrophobicContact CB-CB 4.04Å; A260-M265 HydrophobicContact CB-SD 4.1Å; A260-M265 VanDerWaalsContact O-CB 3.31Å; A260-M265 WeakPolarHBondContact O-CB 3.25Å; A260-M265 PolarHBondContact O-N 3.41Å; L263-M265 HydrophobicContact CB-CG 3.99Å; L263-M265 HydrophobicContact CD1-SD 4.35Å; L263-M265 PolarHBondContact O-N 3.07Å; M265-T267 PolarHBondContact O-N 2.69Å; M265-W268 CovalentContact O-NE1 1.8Å; M265-W268 PolarHBondContact O-NE1 3.11Å
266	D	62.8	Low	68.6	Low	82 Å²	82	60.6 Å²	60.6	44%	0.439	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-86.8	6.7	-172.5	54.4	-5.8	0	0	0	110.8	M1 G264 W268 C269	M1-D266 HydrophobicContact CB-CB 3.69Å; M1-D266 HydrophobicContact CG-CB 3.55Å; G264-D266 PolarHBondContact O-N 3.19Å; D266-W268 PolarHBondContact O-N 3.31Å; D266-W268 VanDerWaalsContact O-N 3.17Å; D266-C269 HydrophobicContact CB-CB 4.42Å; D266-C269 PolarHBondContact O-N 3.12Å
267	T	59.8	Low	67.1	Low	61 Å²	61	62.2 Å²	62.2	37%	0.374	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-68	-14.7	-176.8	33.2	0	0	0	0	110.8	H169 M265	H169-T267 WeakPolarHBondContact CE1-CB 3.27Å; H169-T267 VanDerWaalsContact CE1-CG2 3.47Å; H169-T267 WeakPolarHBondContact CE1-CG2 2.9Å; H169-T267 PolarHBondContact CE1-OG1 3.49Å; H169-T267 VanDerWaalsContact CE1-OG1 3.24Å; H169-T267 WeakPolarHBondContact NE2-CB 3.09Å; H169-T267 PolarHBondContact NE2-OG1 2.91Å; M265-T267 PolarHBondContact O-N 2.69Å
268	W	60.8	Low	65.5	Low	28 Å²	28	67.8 Å²	67.8	11%	0.106	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-94.6	0	179.5	48.6	-88	0	0	0	110.4	V2 L139 L142 Y165 L257 I261 M265 D266	V2-W268 HydrophobicContact CG2-CH2 4.27Å; V2-W268 HydrophobicContact CG2-CZ2 3.93Å; L139-W268 HydrophobicContact CD2-CH2 4.49Å; L139-W268 HydrophobicContact CD2-CZ2 4.01Å; L142-W268 HydrophobicContact CD1-CH2 4.4Å; Y165-W268 HydrophobicContact CD2-CB 4.42Å; L257-W268 HydrophobicContact CD1-CB 3.61Å; L257-W268 HydrophobicContact CD1-CG 4.38Å; I261-W268 HydrophobicContact CB-CZ2 4.39Å; I261-W268 HydrophobicContact CG1-CD2 3.75Å; I261-W268 HydrophobicContact CG1-CE3 4.21Å; I261-W268 HydrophobicContact CG1-CG 3.98Å; I261-W268 HydrophobicContact CG1-CZ2 4.23Å; I261-W268 HydrophobicContact CG2-CH2 4.31Å; I261-W268 HydrophobicContact CG2-CZ2 4.05Å; M265-W268 CovalentContact O-NE1 1.8Å; M265-W268 PolarHBondContact O-NE1 3.11Å; D266-W268 PolarHBondContact O-N 3.31Å; D266-W268 VanDerWaalsContact O-N 3.17Å
269	C	55.2	Low	64.3	Low	52 Å²	52	69.7 Å²	69.7	35%	0.351	39%	0.389	S	S	.	.				0	123.9	0	-152.8	0	0	0	0	109.9	D266	D266-C269 HydrophobicContact CB-CB 4.42Å; D266-C269 PolarHBondContact O-N 3.12Å
270	L	49.7	Very low	63	Low	35 Å²	35	75.3 Å²	75.3	18%	0.183	41%	0.405	C	S	.	.			trans	-63.1	132.4	172.4	-67.2	166.8	0	0	0	110.6	E272 I274	L270-E272 WeakPolarHBondContact CB-O 3.46Å; L270-E272 PolarHBondContact O-N 3.37Å; L270-I274 HydrophobicContact CD1-CD1 2.98Å; L270-I274 HydrophobicContact CD1-CG1 3.76Å
271	S	50.5	Low	62.5	Low	116 Å²	116	78.2 Å²	78.2	81%	0.811	42%	0.42	S	S	*	.	S	Bend	trans	-33	0	163.5	-59.1	0	0	0	0	111.8
272	E	47.1	Very low	62.1	Low	100 Å²	100	84 Å²	84	47%	0.467	45%	0.445	S	S	.	.	S	Bend		0	119.9	0	-75.5	-171.4	174.6	0	0	109.2	L270 I274 R292	L270-E272 WeakPolarHBondContact CB-O 3.46Å; L270-E272 PolarHBondContact O-N 3.37Å; E272-I274 PolarHBondContact O-N 3.06Å; E272-R292 IonicContact OE2-NH2 3.29Å
273	P	51.2	Low	61.8	Low	127 Å²	127	84.4 Å²	84.4	83%	0.825	44%	0.444	S	S	*	.			trans	-62.1	103.6	177.9	16.6	-16.7	0	0	0	111.7
274	I	56	Low	61.7	Low	35 Å²	35	82.1 Å²	82.1	18%	0.179	43%	0.43	C	S	.	.			trans	-80.8	112.6	177.4	-63.8	170.1	0	0	0	108.5	L270 E272 F276 F279	L270-I274 HydrophobicContact CD1-CD1 2.98Å; L270-I274 HydrophobicContact CD1-CG1 3.76Å; E272-I274 PolarHBondContact O-N 3.06Å; I274-F276 PolarHBondContact O-N 3.43Å; I274-F279 HydrophobicContact CG2-CE2 3.51Å; I274-F279 HydrophobicContact CG2-CZ 3.53Å
275	D	61.1	Low	62.3	Low	80 Å²	80	83 Å²	83	43%	0.428	43%	0.428	S	S	.	.			trans	-80.4	105.4	171.5	-163.4	-9.7	0	0	0	110.6	V277 L278	D275-V277 PolarHBondContact O-N 3.1Å; D275-V277 WeakPolarHBondContact OD1-CB 3.19Å; D275-V277 PolarHBondContact OD1-N 3.43Å; D275-L278 HydrophobicContact CB-CB 4.27Å; D275-L278 HydrophobicContact CB-CD1 3.36Å; D275-L278 HydrophobicContact CB-CG 3.65Å; D275-L278 PolarHBondContact O-N 3.1Å
276	F	63.1	Low	63.1	Low	29 Å²	29	79.6 Å²	79.6	13%	0.127	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-63.6	-9.1	-176.7	-66.8	-74.9	0	0	0	110.3	L142 E145 F146 K158 M161 I274 L278 F279	L142-F276 HydrophobicContact CD2-CD2 4.4Å; L142-F276 HydrophobicContact CD2-CE2 4.39Å; E145-F276 WeakPolarHBondContact OE2-CD2 3.01Å; E145-F276 WeakPolarHBondContact OE2-CG 3.43Å; F146-F276 HydrophobicContact CE2-CE2 4.2Å; F146-F276 HydrophobicContact CE2-CZ 4.19Å; F146-F276 HydrophobicContact CZ-CE2 4.42Å; F146-F276 AromaticContact CZ-CZ 3.95Å; F146-F276 HydrophobicContact CZ-CZ 3.95Å; K158-F276 HydrophobicContact CG-CD1 4.14Å; K158-F276 HydrophobicContact CG-CE1 3.94Å; M161-F276 HydrophobicContact CE-CE2 4.41Å; M161-F276 HydrophobicContact CE-CZ 3.75Å; M161-F276 HydrophobicContact CG-CE1 4.46Å; M161-F276 HydrophobicContact CG-CZ 4.27Å; M161-F276 HydrophobicContact SD-CE1 3.23Å; M161-F276 WeakPolarHBondContact SD-CE1 3.48Å; M161-F276 HydrophobicContact SD-CE2 3.75Å; M161-F276 HydrophobicContact SD-CZ 2.63Å; M161-F276 WeakPolarHBondContact SD-CZ 3.19Å; I274-F276 PolarHBondContact O-N 3.43Å; F276-L278 VanDerWaalsContact C-N 3.31Å; F276-L278 PolarHBondContact O-N 3.15Å; F276-F279 HydrophobicContact CD1-CE2 4.41Å
277	V	57.5	Low	64.1	Low	112 Å²	112	78 Å²	78	68%	0.679	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-92.1	0	-175.2	-179	0	0	0	0	109.3	D275 F279	D275-V277 PolarHBondContact O-N 3.1Å; D275-V277 WeakPolarHBondContact OD1-CB 3.19Å; D275-V277 PolarHBondContact OD1-N 3.43Å; V277-F279 VanDerWaalsContact C-N 3.34Å; V277-F279 PolarHBondContact O-N 2.64Å
278	L	56.5	Low	65.2	Low	120 Å²	120	75.7 Å²	75.7	63%	0.628	40%	0.396	S	S	*	.	G	3₁₀ helix		0	-4.5	0	-76	170.7	0	0	0	110.5	D275 F276 R280	D275-L278 HydrophobicContact CB-CB 4.27Å; D275-L278 HydrophobicContact CB-CD1 3.36Å; D275-L278 HydrophobicContact CB-CG 3.65Å; D275-L278 PolarHBondContact O-N 3.1Å; F276-L278 VanDerWaalsContact C-N 3.31Å; F276-L278 PolarHBondContact O-N 3.15Å; L278-R280 PolarHBondContact O-N 2.53Å
279	F	62.6	Low	66.5	Low	48 Å²	48	74.3 Å²	74.3	21%	0.211	39%	0.39	C	S	.	.			trans	-82.4	120.9	-177.2	-70	-69.9	0	0	0	109.8	A157 I274 F276 V277 E284 E285 C288	A157-F279 HydrophobicContact CB-CE2 4.05Å; A157-F279 HydrophobicContact CB-CZ 4.35Å; I274-F279 HydrophobicContact CG2-CE2 3.51Å; I274-F279 HydrophobicContact CG2-CZ 3.53Å; F276-F279 HydrophobicContact CD1-CE2 4.41Å; V277-F279 VanDerWaalsContact C-N 3.34Å; V277-F279 PolarHBondContact O-N 2.64Å; F279-E284 VanDerWaalsContact CA-OE2 3.28Å; F279-E284 WeakPolarHBondContact CA-OE2 3.14Å; F279-E284 HydrophobicContact CB-CB 4.48Å; F279-E284 HydrophobicContact CD1-CB 3.53Å; F279-E284 HydrophobicContact CE1-CB 4.31Å; F279-E284 WeakPolarHBondContact CE1-O 3.14Å; F279-E284 HydrophobicContact CG-CB 4.47Å; F279-E285 HydrophobicContact CB-CG 3.81Å; F279-E285 HydrophobicContact CD1-CG 4.3Å; F279-E285 HydrophobicContact CD2-CG 4.23Å; F279-E285 HydrophobicContact CG-CG 3.87Å; F279-C288 HydrophobicContact CE1-CB 4.04Å; F279-C288 HydrophobicContact CZ-CB 3.91Å
280	R	58.1	Low	68	Low	233 Å²	233	74 Å²	74	88%	0.879	38%	0.384	S	S	*	.			trans	-92	-13.1	-171.7	-69.5	-172.4	-172.9	-149.2	1.7	110.9	L278 E284	L278-R280 PolarHBondContact O-N 2.53Å; R280-E284 PolarHBondContact N-OE2 2.93Å
281	N	73.6	Confident	69.5	Low	67 Å²	67	75.6 Å²	75.6	36%	0.358	40%	0.398	S	S	.	.	S	Bend	trans	-162.3	150.2	-177.3	58.6	24.1	0	0	0	109.6	E283 E284 E285	N281-E283 WeakPolarHBondContact CB-OE2 3.5Å; N281-E283 VanDerWaalsContact CG-OE2 3.24Å; N281-E283 PolarHBondContact O-N 1.86Å; N281-E283 VanDerWaalsContact O-N 3.15Å; N281-E283 PolarHBondContact OD1-N 3.26Å; N281-E284 PolarHBondContact O-N 3.15Å; N281-E284 VanDerWaalsContact O-N 3.16Å; N281-E284 VanDerWaalsContact OD1-CB 3.25Å; N281-E284 WeakPolarHBondContact OD1-CB 3.05Å; N281-E284 WeakPolarHBondContact OD1-CG 2.42Å; N281-E284 PolarHBondContact OD1-N 2.68Å; N281-E285 PolarHBondContact O-N 3.47Å
282	K	77.3	Confident	71	Confident	124 Å²	124	72.5 Å²	72.5	54%	0.539	37%	0.368	S	S	.	.	H	α-helix	trans	-51.9	-21.5	179.6	-80.3	-168.6	-178.1	178.7	0	111.5	E285 L286	K282-E285 WeakPolarHBondContact O-CB 3.38Å; K282-E285 PolarHBondContact O-N 3.22Å; K282-L286 PolarHBondContact O-N 3.28Å
283	E	76.3	Confident	73	Confident	92 Å²	92	67.7 Å²	67.7	43%	0.43	35%	0.346	S	S	.	.	H	α-helix	trans	-71.1	-38.6	178.6	-76.9	85.9	-164.8	0	0	110.9	N281 L286 A287 Q351	N281-E283 WeakPolarHBondContact CB-OE2 3.5Å; N281-E283 VanDerWaalsContact CG-OE2 3.24Å; N281-E283 PolarHBondContact O-N 1.86Å; N281-E283 VanDerWaalsContact O-N 3.15Å; N281-E283 PolarHBondContact OD1-N 3.26Å; E283-L286 PolarHBondContact O-N 3.13Å; E283-A287 WeakPolarHBondContact O-CB 2.95Å; E283-A287 PolarHBondContact O-N 3.3Å; E283-Q351 PolarHBondContact OE1-NE2 2.78Å
284	E	78.2	Confident	74.8	Confident	71 Å²	71	62.5 Å²	62.5	33%	0.332	31%	0.313	S	S	.	.	H	α-helix	trans	-69.1	0	178.1	-72.9	179.1	176.8	0	0	110.4	F279 R280 N281 L286 A287 C288	F279-E284 VanDerWaalsContact CA-OE2 3.28Å; F279-E284 WeakPolarHBondContact CA-OE2 3.14Å; F279-E284 HydrophobicContact CB-CB 4.48Å; F279-E284 HydrophobicContact CD1-CB 3.53Å; F279-E284 HydrophobicContact CE1-CB 4.31Å; F279-E284 WeakPolarHBondContact CE1-O 3.14Å; F279-E284 HydrophobicContact CG-CB 4.47Å; R280-E284 PolarHBondContact N-OE2 2.93Å; N281-E284 PolarHBondContact O-N 3.15Å; N281-E284 VanDerWaalsContact O-N 3.16Å; N281-E284 VanDerWaalsContact OD1-CB 3.25Å; N281-E284 WeakPolarHBondContact OD1-CB 3.05Å; N281-E284 WeakPolarHBondContact OD1-CG 2.42Å; N281-E284 PolarHBondContact OD1-N 2.68Å; E284-L286 VanDerWaalsContact C-N 3.34Å; E284-A287 WeakPolarHBondContact O-CB 3.04Å; E284-A287 PolarHBondContact O-N 3.25Å; E284-C288 PolarHBondContact O-N 3.46Å
285	E	82.6	Confident	76	Confident	44 Å²	44	64.3 Å²	64.3	21%	0.206	33%	0.329	C	S	.	.	H	α-helix		0	-40.7	0	-71.6	-172.2	179.5	0	0	111.5	P156 A157 F279 N281 K282 A287 C288 F289	P156-E285 HydrophobicContact CB-CB 4.33Å; P156-E285 WeakPolarHBondContact CD-OE2 1.66Å; P156-E285 HydrophobicContact CG-CB 3.31Å; P156-E285 HydrophobicContact CG-CG 4.44Å; P156-E285 WeakPolarHBondContact CG-OE2 3.09Å; A157-E285 HydrophobicContact CB-CB 4.3Å; A157-E285 HydrophobicContact CB-CG 4.35Å; F279-E285 HydrophobicContact CB-CG 3.81Å; F279-E285 HydrophobicContact CD1-CG 4.3Å; F279-E285 HydrophobicContact CD2-CG 4.23Å; F279-E285 HydrophobicContact CG-CG 3.87Å; N281-E285 PolarHBondContact O-N 3.47Å; K282-E285 WeakPolarHBondContact O-CB 3.38Å; K282-E285 PolarHBondContact O-N 3.22Å; E285-A287 VanDerWaalsContact C-N 3.29Å; E285-C288 WeakPolarHBondContact O-CB 3.46Å; E285-C288 PolarHBondContact O-N 2.55Å; E285-F289 PolarHBondContact O-N 2.94Å
286	L	85.7	Confident	77.3	Confident	15 Å²	15	61.9 Å²	61.9	8%	0.079	31%	0.314	C	S	.	.	H	α-helix	trans	-66.8	-34.9	178	-170	64.4	0	0	0	110.7	P156 K282 E283 E284 C288 F289 E290 S348	P156-L286 HydrophobicContact CB-CD1 4.46Å; K282-L286 PolarHBondContact O-N 3.28Å; E283-L286 PolarHBondContact O-N 3.13Å; E284-L286 VanDerWaalsContact C-N 3.34Å; L286-C288 PolarHBondContact O-N 3.37Å; L286-F289 HydrophobicContact CD1-CB 4.5Å; L286-F289 VanDerWaalsContact O-CB 3.22Å; L286-F289 WeakPolarHBondContact O-CB 3.32Å; L286-F289 PolarHBondContact O-N 3.17Å; L286-F289 VanDerWaalsContact O-N 3.14Å; L286-E290 PolarHBondContact O-N 3.32Å; L286-S348 WeakPolarHBondContact CD2-OG 3.35Å
287	A	82	Confident	78.5	Confident	50 Å²	50	60.5 Å²	60.5	41%	0.413	31%	0.308	S	S	.	.	H	α-helix	trans	-64	-36.1	177.4	0	0	0	0	0	110.3	E283 E284 E285 F289 E290 S291	E283-A287 WeakPolarHBondContact O-CB 2.95Å; E283-A287 PolarHBondContact O-N 3.3Å; E284-A287 WeakPolarHBondContact O-CB 3.04Å; E284-A287 PolarHBondContact O-N 3.25Å; E285-A287 VanDerWaalsContact C-N 3.29Å; A287-F289 VanDerWaalsContact C-N 3.33Å; A287-E290 PolarHBondContact O-N 3.33Å; A287-S291 VanDerWaalsContact O-CB 3.32Å; A287-S291 WeakPolarHBondContact O-CB 3.36Å; A287-S291 PolarHBondContact O-N 2.96Å; A287-S291 PolarHBondContact O-OG 3.36Å
288	C	82.9	Confident	79.8	Confident	11 Å²	11	57.1 Å²	57.1	7%	0.074	29%	0.286	C	S	.	.	H	α-helix	trans	-65.7	-42.8	176	-176.3	0	0	0	0	110.7	A157 F279 E284 E285 L286 E290 S291 R292	A157-C288 HydrophobicContact CB-CB 4.28Å; F279-C288 HydrophobicContact CE1-CB 4.04Å; F279-C288 HydrophobicContact CZ-CB 3.91Å; E284-C288 PolarHBondContact O-N 3.46Å; E285-C288 WeakPolarHBondContact O-CB 3.46Å; E285-C288 PolarHBondContact O-N 2.55Å; L286-C288 PolarHBondContact O-N 3.37Å; C288-E290 VanDerWaalsContact C-N 3.28Å; C288-E290 PolarHBondContact O-N 3.27Å; C288-S291 PolarHBondContact O-N 2.93Å; C288-S291 PolarHBondContact O-OG 2.44Å; C288-R292 WeakPolarHBondContact O-CB 3.34Å; C288-R292 WeakPolarHBondContact O-CG 3.34Å; C288-R292 PolarHBondContact O-N 2.97Å
289	F	88.4	Confident	81.1	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-53.4	0	174.7	-174.4	-90	0	0	0	111.4	P156 A160 I163 E285 L286 A287 R292 L293 A343 H344 Y347 W405	P156-F289 HydrophobicContact CB-CB 4.26Å; P156-F289 VanDerWaalsContact O-CD2 3.29Å; P156-F289 WeakPolarHBondContact O-CD2 3.16Å; A160-F289 HydrophobicContact CB-CB 4.24Å; A160-F289 HydrophobicContact CB-CD2 3.72Å; A160-F289 HydrophobicContact CB-CE2 4.48Å; A160-F289 HydrophobicContact CB-CG 4.25Å; I163-F289 HydrophobicContact CD1-CE2 4.38Å; E285-F289 PolarHBondContact O-N 2.94Å; L286-F289 HydrophobicContact CD1-CB 4.5Å; L286-F289 VanDerWaalsContact O-CB 3.22Å; L286-F289 WeakPolarHBondContact O-CB 3.32Å; L286-F289 PolarHBondContact O-N 3.17Å; L286-F289 VanDerWaalsContact O-N 3.14Å; A287-F289 VanDerWaalsContact C-N 3.33Å; F289-R292 PolarHBondContact O-N 2.62Å; F289-L293 HydrophobicContact CD1-CD1 4.34Å; F289-L293 HydrophobicContact CD2-CD1 4.28Å; F289-L293 HydrophobicContact CE1-CD1 3.79Å; F289-L293 HydrophobicContact CE2-CD1 3.72Å; F289-L293 HydrophobicContact CZ-CD1 3.45Å; F289-L293 VanDerWaalsContact CZ-CD1 3.45Å; F289-L293 PolarHBondContact O-N 2.97Å; F289-A343 HydrophobicContact CZ-CB 4.08Å; F289-H344 HydrophobicContact CE1-CB 4.24Å; F289-Y347 HydrophobicContact CE2-CD2 4.42Å; F289-Y347 HydrophobicContact CE2-CE2 4.18Å; F289-W405 HydrophobicContact CD1-CH2 4.46Å; F289-W405 AromaticContact CE1-CH2 3.95Å; F289-W405 HydrophobicContact CE1-CH2 3.95Å; F289-W405 HydrophobicContact CE1-CZ3 4.02Å
290	E	87.6	Confident	82.1	Confident	45 Å²	45	49.3 Å²	49.3	21%	0.21	25%	0.247	C	C	.	.	H	α-helix		0	-40.4	0	-71.7	178.5	178.3	0	0	110.6	L286 A287 C288 R292 S294 H344 W405	L286-E290 PolarHBondContact O-N 3.32Å; A287-E290 PolarHBondContact O-N 3.33Å; C288-E290 VanDerWaalsContact C-N 3.28Å; C288-E290 PolarHBondContact O-N 3.27Å; E290-R292 PolarHBondContact O-N 3.42Å; E290-S294 WeakPolarHBondContact O-CB 3.46Å; E290-S294 PolarHBondContact O-N 3.19Å; E290-S294 VanDerWaalsContact O-N 3.12Å; E290-S294 PolarHBondContact O-OG 3.02Å; E290-H344 VanDerWaalsContact CD-NE2 3.27Å; E290-H344 WeakPolarHBondContact CG-NE2 3.18Å; E290-H344 IonicContact OE1-CD2 3.51Å; E290-H344 PolarHBondContact OE1-CD2 3.32Å; E290-H344 IonicContact OE1-CE1 3.26Å; E290-H344 PolarHBondContact OE1-CE1 3.33Å; E290-H344 VanDerWaalsContact OE1-CE1 3.26Å; E290-H344 IonicContact OE1-NE2 3.28Å; E290-H344 PolarHBondContact OE1-NE2 3.42Å; E290-W405 HydrophobicContact CG-CG 4.47Å
291	S	80.3	Confident	83.3	Confident	69 Å²	69	40.7 Å²	40.7	48%	0.483	22%	0.217	S	C	.	.	H	α-helix	trans	-68.4	-30.6	-174.8	77.5	0	0	0	0	110.4	A287 C288	A287-S291 VanDerWaalsContact O-CB 3.32Å; A287-S291 WeakPolarHBondContact O-CB 3.36Å; A287-S291 PolarHBondContact O-N 2.96Å; A287-S291 PolarHBondContact O-OG 3.36Å; C288-S291 PolarHBondContact O-N 2.93Å; C288-S291 PolarHBondContact O-OG 2.44Å
292	R	83	Confident	83.6	Confident	50 Å²	50	41 Å²	41	19%	0.189	22%	0.216	C	C	.	.	H	α-helix	trans	-85.7	-35.1	-172.7	-75.8	-58.2	136.2	162.8	-0	110.8	A160 E272 C288 F289 E290	A160-R292 HydrophobicContact CB-CB 4.24Å; E272-R292 IonicContact OE2-NH2 3.29Å; C288-R292 WeakPolarHBondContact O-CB 3.34Å; C288-R292 WeakPolarHBondContact O-CG 3.34Å; C288-R292 PolarHBondContact O-N 2.97Å; F289-R292 PolarHBondContact O-N 2.62Å; E290-R292 PolarHBondContact O-N 3.42Å
293	L	89.3	Confident	83.6	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-101.9	-1.4	-171.6	-68.9	-179.7	0	0	0	110.4	I163 F289 S295 Y296 L297 L340 W405	I163-L293 HydrophobicContact CB-CD1 4.49Å; I163-L293 HydrophobicContact CB-CD2 4.23Å; I163-L293 HydrophobicContact CD1-CD1 4.22Å; I163-L293 HydrophobicContact CG2-CD1 4.29Å; I163-L293 HydrophobicContact CG2-CD2 3.75Å; F289-L293 HydrophobicContact CD1-CD1 4.34Å; F289-L293 HydrophobicContact CD2-CD1 4.28Å; F289-L293 HydrophobicContact CE1-CD1 3.79Å; F289-L293 HydrophobicContact CE2-CD1 3.72Å; F289-L293 HydrophobicContact CZ-CD1 3.45Å; F289-L293 VanDerWaalsContact CZ-CD1 3.45Å; F289-L293 PolarHBondContact O-N 2.97Å; L293-S295 VanDerWaalsContact C-N 3.27Å; L293-S295 PolarHBondContact O-N 3.49Å; L293-Y296 HydrophobicContact CD2-CD2 3.97Å; L293-Y296 HydrophobicContact CD2-CE2 4.48Å; L293-Y296 PolarHBondContact O-N 2.92Å; L293-Y296 VanDerWaalsContact O-N 3.12Å; L293-L297 PolarHBondContact O-N 3.33Å; L293-L340 HydrophobicContact CD1-CD2 4.07Å; L293-W405 HydrophobicContact CB-CH2 3.97Å; L293-W405 HydrophobicContact CB-CZ2 4.04Å
294	S	88.2	Confident	83.5	Confident	18 Å²	18	33.9 Å²	33.9	13%	0.126	19%	0.19	C	C	.	.	H	α-helix	trans	-63.4	0	-174.5	-71.5	0	0	0	0	110.6	E290 L297 D298 W405	E290-S294 WeakPolarHBondContact O-CB 3.46Å; E290-S294 PolarHBondContact O-N 3.19Å; E290-S294 VanDerWaalsContact O-N 3.12Å; E290-S294 PolarHBondContact O-OG 3.02Å; S294-L297 PolarHBondContact O-N 2.91Å; S294-D298 WeakPolarHBondContact O-CB 3.19Å; S294-D298 VanDerWaalsContact O-CG 3.23Å; S294-D298 PolarHBondContact O-N 3.22Å; S294-W405 PolarHBondContact OG-NE1 3.49Å
295	S	82.2	Confident	83.2	Confident	73 Å²	73	34.3 Å²	34.3	51%	0.51	20%	0.198	S	C	.	.	H	α-helix		0	-38.2	0	57.2	0	0	0	0	111.3	L293 A299	L293-S295 VanDerWaalsContact C-N 3.27Å; L293-S295 PolarHBondContact O-N 3.49Å; S295-A299 WeakPolarHBondContact O-CB 3.48Å; S295-A299 PolarHBondContact O-N 2.54Å
296	Y	87.4	Confident	82.3	Confident	29 Å²	29	34.7 Å²	34.7	11%	0.114	21%	0.213	C	C	.	.	H	α-helix	trans	-69	0	178.2	-65.4	-62.1	0	0	0	111	D164 F167 S168 L293 D298 A299 L300 I313 I317	D164-Y296 WeakPolarHBondContact OD1-CE2 3.06Å; D164-Y296 PolarHBondContact OD1-OH 3.42Å; F167-Y296 HydrophobicContact CB-CE1 4.11Å; F167-Y296 HydrophobicContact CB-CE2 4.36Å; F167-Y296 HydrophobicContact CD2-CD1 4.06Å; F167-Y296 AromaticContact CD2-CD2 3.7Å; F167-Y296 HydrophobicContact CD2-CD2 3.7Å; F167-Y296 HydrophobicContact CD2-CE1 4.36Å; F167-Y296 HydrophobicContact CD2-CE2 4.03Å; F167-Y296 AromaticContact CD2-CG 3.71Å; F167-Y296 HydrophobicContact CD2-CG 3.71Å; F167-Y296 HydrophobicContact CE2-CD2 4.36Å; F167-Y296 HydrophobicContact CE2-CG 4.26Å; S168-Y296 PolarHBondContact OG-OH 3.34Å; L293-Y296 HydrophobicContact CD2-CD2 3.97Å; L293-Y296 HydrophobicContact CD2-CE2 4.48Å; L293-Y296 PolarHBondContact O-N 2.92Å; L293-Y296 VanDerWaalsContact O-N 3.12Å; Y296-D298 VanDerWaalsContact C-N 3.32Å; Y296-D298 PolarHBondContact O-N 3.35Å; Y296-A299 PolarHBondContact O-N 3.47Å; Y296-L300 WeakPolarHBondContact O-CB 3.2Å; Y296-L300 VanDerWaalsContact O-CG 3.26Å; Y296-L300 WeakPolarHBondContact O-CG 3.35Å; Y296-L300 PolarHBondContact O-N 2.65Å; Y296-I313 HydrophobicContact CD1-CG2 3.58Å; Y296-I313 HydrophobicContact CE1-CG2 3.7Å; Y296-I317 HydrophobicContact CD1-CD1 3.38Å; Y296-I317 HydrophobicContact CE1-CD1 4.11Å; Y296-I317 HydrophobicContact CG-CD1 4.07Å
297	L	88.4	Confident	81.1	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	24%	0.241	C	C	.	.	H	α-helix		0	-40	0	-175.7	68.1	0	0	0	110.5	L293 S294 A299 L300 H301 T337 L340 V341 L404 W405 L408	L293-L297 PolarHBondContact O-N 3.33Å; S294-L297 PolarHBondContact O-N 2.91Å; L297-A299 VanDerWaalsContact C-N 3.32Å; L297-L300 PolarHBondContact O-N 3.03Å; L297-H301 VanDerWaalsContact O-CB 3.32Å; L297-H301 WeakPolarHBondContact O-CB 3.36Å; L297-H301 PolarHBondContact O-N 2.85Å; L297-T337 HydrophobicContact CD1-CG2 3.82Å; L297-L340 HydrophobicContact CD1-CB 4.34Å; L297-L340 HydrophobicContact CD1-CD1 4.31Å; L297-V341 HydrophobicContact CD1-CG2 4.33Å; L297-L404 HydrophobicContact CD2-CB 4.22Å; L297-W405 HydrophobicContact CB-CZ2 4.38Å; L297-W405 HydrophobicContact CD2-CD2 3.6Å; L297-W405 HydrophobicContact CD2-CE3 3.83Å; L297-W405 HydrophobicContact CD2-CG 4.15Å; L297-W405 HydrophobicContact CD2-CH2 3.98Å; L297-W405 HydrophobicContact CD2-CZ2 3.79Å; L297-W405 HydrophobicContact CD2-CZ3 4.01Å; L297-L408 HydrophobicContact CD1-CD1 4.28Å; L297-L408 HydrophobicContact CD2-CD1 4.49Å; L297-L408 HydrophobicContact CG-CD1 4.48Å
298	D	84.5	Confident	79.9	Confident	41 Å²	41	38.4 Å²	38.4	22%	0.219	24%	0.237	C	C	.	.	H	α-helix	trans	-65	0	179.5	-78.6	-15.8	0	0	0	110.4	S294 Y296 H301 Q302 L404	S294-D298 WeakPolarHBondContact O-CB 3.19Å; S294-D298 VanDerWaalsContact O-CG 3.23Å; S294-D298 PolarHBondContact O-N 3.22Å; Y296-D298 VanDerWaalsContact C-N 3.32Å; Y296-D298 PolarHBondContact O-N 3.35Å; D298-H301 PolarHBondContact O-N 3.12Å; D298-Q302 WeakPolarHBondContact O-CG 3.29Å; D298-Q302 PolarHBondContact O-N 2.99Å; D298-L404 HydrophobicContact CB-CD1 4.43Å; D298-L404 VanDerWaalsContact CG-CD1 3.43Å; D298-L404 WeakPolarHBondContact OD1-CD1 1.19Å
299	A	83.9	Confident	78.7	Confident	4 Å²	4	44.2 Å²	44.2	3%	0.033	27%	0.266	C	S	.	.	H	α-helix		0	-40	0	0	0	0	0	0	110.9	S295 Y296 L297 Q302 L303 N311 A314	S295-A299 WeakPolarHBondContact O-CB 3.48Å; S295-A299 PolarHBondContact O-N 2.54Å; Y296-A299 PolarHBondContact O-N 3.47Å; L297-A299 VanDerWaalsContact C-N 3.32Å; A299-Q302 PolarHBondContact O-N 2.68Å; A299-L303 PolarHBondContact O-N 3.14Å; A299-N311 WeakPolarHBondContact CB-ND2 3.33Å; A299-A314 HydrophobicContact CB-CB 4.14Å
300	L	85	Confident	77.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-69.9	0	-179.9	-72.6	171.2	0	0	0	111.1	Y296 L297 L303 S304 A314 I317 T333 I336 L340	Y296-L300 WeakPolarHBondContact O-CB 3.2Å; Y296-L300 VanDerWaalsContact O-CG 3.26Å; Y296-L300 WeakPolarHBondContact O-CG 3.35Å; Y296-L300 PolarHBondContact O-N 2.65Å; L297-L300 PolarHBondContact O-N 3.03Å; L300-L303 PolarHBondContact O-N 3.2Å; L300-S304 PolarHBondContact O-N 3.35Å; L300-A314 HydrophobicContact CD2-CB 4.34Å; L300-I317 HydrophobicContact CD2-CB 4.45Å; L300-I317 HydrophobicContact CD2-CG2 4.23Å; L300-T333 HydrophobicContact CB-CG2 3.78Å; L300-T333 HydrophobicContact CD2-CG2 3.93Å; L300-T333 WeakPolarHBondContact O-CG2 3.16Å; L300-I336 HydrophobicContact CD1-CB 4.22Å; L300-I336 HydrophobicContact CD1-CG2 3.51Å; L300-L340 HydrophobicContact CD1-CD1 4.12Å
301	H	82.2	Confident	76.7	Confident	51 Å²	51	49.5 Å²	49.5	24%	0.236	30%	0.296	C	S	.	.	H	α-helix		0	-33.3	0	-175.8	-91.5	0	0	0	110.5	L297 D298 L303 S304 T305 L408	L297-H301 VanDerWaalsContact O-CB 3.32Å; L297-H301 WeakPolarHBondContact O-CB 3.36Å; L297-H301 PolarHBondContact O-N 2.85Å; D298-H301 PolarHBondContact O-N 3.12Å; H301-L303 VanDerWaalsContact C-N 3.3Å; H301-L303 PolarHBondContact O-N 3.36Å; H301-S304 PolarHBondContact O-N 3.42Å; H301-T305 VanDerWaalsContact CE1-CG2 3.41Å; H301-T305 WeakPolarHBondContact CE1-CG2 3.29Å; H301-T305 VanDerWaalsContact O-CG2 3.29Å; H301-T305 WeakPolarHBondContact O-CG2 3.41Å; H301-T305 PolarHBondContact O-N 3.11Å; H301-T305 PolarHBondContact O-OG1 3.42Å; H301-T305 VanDerWaalsContact O-OG1 3.05Å; H301-L408 VanDerWaalsContact CD2-CD2 3.45Å; H301-L408 WeakPolarHBondContact CD2-CD2 3.2Å
302	Q	79.5	Confident	76.5	Confident	75 Å²	75	50.8 Å²	50.8	35%	0.35	30%	0.302	S	S	.	.	H	α-helix	trans	-68.2	-35.8	178.9	-73.8	179.4	31.9	0	0	110.3	D298 A299 S304 T305 G306 S307	D298-Q302 WeakPolarHBondContact O-CG 3.29Å; D298-Q302 PolarHBondContact O-N 2.99Å; A299-Q302 PolarHBondContact O-N 2.68Å; Q302-S304 VanDerWaalsContact C-N 3.34Å; Q302-T305 PolarHBondContact O-N 3.39Å; Q302-T305 PolarHBondContact O-OG1 3.29Å; Q302-G306 PolarHBondContact O-N 3.05Å; Q302-S307 PolarHBondContact O-N 2.63Å; Q302-S307 VanDerWaalsContact O-N 3.12Å
303	L	78.5	Confident	76.2	Confident	23 Å²	23	52.2 Å²	52.2	12%	0.12	31%	0.313	C	S	.	.	H	α-helix	trans	-71.9	-31	178	-167.5	67.4	0	0	0	110.8	A299 L300 H301 G306 A314 L315 T333	A299-L303 PolarHBondContact O-N 3.14Å; L300-L303 PolarHBondContact O-N 3.2Å; H301-L303 VanDerWaalsContact C-N 3.3Å; H301-L303 PolarHBondContact O-N 3.36Å; L303-G306 PolarHBondContact O-N 3.34Å; L303-A314 HydrophobicContact CB-CB 4.21Å; L303-A314 HydrophobicContact CD2-CB 4Å; L303-L315 HydrophobicContact CD2-CD2 4.41Å; L303-T333 HydrophobicContact CB-CG2 4.09Å; L303-T333 HydrophobicContact CD2-CG2 4.45Å; L303-T333 WeakPolarHBondContact CD2-OG1 3.23Å
304	S	73.3	Confident	75.6	Confident	43 Å²	43	52.2 Å²	52.2	30%	0.301	31%	0.313	S	S	.	.	H	α-helix	trans	-74.8	0	-179.1	178.6	0	0	0	0	110.8	L300 H301 Q302 G306	L300-S304 PolarHBondContact O-N 3.35Å; H301-S304 PolarHBondContact O-N 3.42Å; Q302-S304 VanDerWaalsContact C-N 3.34Å; S304-G306 VanDerWaalsContact C-N 3.33Å
305	T	71.6	Confident	75.1	Confident	79 Å²	79	53.2 Å²	53.2	49%	0.485	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn		0	6.5	0	54.7	0	0	0	0	109.8	H301 Q302 S307	H301-T305 VanDerWaalsContact CE1-CG2 3.41Å; H301-T305 WeakPolarHBondContact CE1-CG2 3.29Å; H301-T305 VanDerWaalsContact O-CG2 3.29Å; H301-T305 WeakPolarHBondContact O-CG2 3.41Å; H301-T305 PolarHBondContact O-N 3.11Å; H301-T305 PolarHBondContact O-OG1 3.42Å; H301-T305 VanDerWaalsContact O-OG1 3.05Å; Q302-T305 PolarHBondContact O-N 3.39Å; Q302-T305 PolarHBondContact O-OG1 3.29Å; T305-S307 VanDerWaalsContact C-N 3.27Å; T305-S307 PolarHBondContact O-N 2.98Å
306	G	65.4	Low	75	Confident	52 Å²	52	51.3 Å²	51.3	54%	0.536	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	72	12.4	174.1	0	0	0	0	0	111.4	Q302 L303 S304	Q302-G306 PolarHBondContact O-N 3.05Å; L303-G306 PolarHBondContact O-N 3.34Å; S304-G306 VanDerWaalsContact C-N 3.33Å
307	S	60.6	Low	74.7	Confident	94 Å²	94	50 Å²	50	66%	0.657	30%	0.298	S	S	*	.	S	Bend	trans	-87.5	-4.1	-171.5	175.1	0	0	0	0	110.1	Q302 T305	Q302-S307 PolarHBondContact O-N 2.63Å; Q302-S307 VanDerWaalsContact O-N 3.12Å; T305-S307 VanDerWaalsContact C-N 3.27Å; T305-S307 PolarHBondContact O-N 2.98Å
308	C	56	Low	74.2	Confident	50 Å²	50	50 Å²	50	34%	0.338	30%	0.299	S	S	.	.			trans	-167.7	93	178.3	-169.7	0	0	0	0	108.6	D310	C308-D310 PolarHBondContact O-N 2.94Å
309	I	57.2	Low	74	Confident	133 Å²	133	56.3 Å²	56.3	68%	0.682	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	0	-169.6	-57	168.7	0	0	0	108.7
310	D	63.3	Low	73.8	Confident	126 Å²	126	56.9 Å²	56.9	67%	0.674	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn		0	37.8	0	-69.3	-30.5	0	0	0	109.2	C308 P312	C308-D310 PolarHBondContact O-N 2.94Å; D310-P312 WeakPolarHBondContact O-CD 3.38Å; D310-P312 VanDerWaalsContact O-N 3.14Å
311	N	70.8	Confident	73.3	Confident	30 Å²	30	57.2 Å²	57.2	16%	0.16	32%	0.324	C	S	.	.			trans	-77.4	105.2	174.7	-167.4	-40.8	0	0	0	110.2	A299 I313 A314 L315	A299-N311 WeakPolarHBondContact CB-ND2 3.33Å; N311-I313 PolarHBondContact O-N 3.03Å; N311-I313 WeakPolarHBondContact OD1-CB 3.27Å; N311-I313 PolarHBondContact OD1-N 3.26Å; N311-I313 VanDerWaalsContact OD1-N 3.16Å; N311-A314 HydrophobicContact CB-CB 4.03Å; N311-A314 PolarHBondContact O-N 2.99Å; N311-L315 WeakPolarHBondContact O-CG 3.45Å; N311-L315 PolarHBondContact O-N 2.56Å; N311-L315 VanDerWaalsContact O-N 3.08Å
312	P	76.5	Confident	72.6	Confident	95 Å²	95	60.7 Å²	60.7	62%	0.617	34%	0.344	S	S	*	.	H	α-helix	trans	-53.8	-35.1	-174.7	21.3	-29.7	0	0	0	111.7	D310 S316	D310-P312 WeakPolarHBondContact O-CD 3.38Å; D310-P312 VanDerWaalsContact O-N 3.14Å; P312-S316 VanDerWaalsContact O-CB 3.3Å; P312-S316 WeakPolarHBondContact O-CB 3.23Å; P312-S316 PolarHBondContact O-N 2.29Å; P312-S316 PolarHBondContact O-OG 3.44Å
313	I	76.3	Confident	71.9	Confident	80 Å²	80	59.3 Å²	59.3	41%	0.41	34%	0.341	S	S	.	.	H	α-helix	trans	-68.7	-45.7	-177.9	-65.8	172.5	0	0	0	109.8	Y296 N311 L315 S316 I317	Y296-I313 HydrophobicContact CD1-CG2 3.58Å; Y296-I313 HydrophobicContact CE1-CG2 3.7Å; N311-I313 PolarHBondContact O-N 3.03Å; N311-I313 WeakPolarHBondContact OD1-CB 3.27Å; N311-I313 PolarHBondContact OD1-N 3.26Å; N311-I313 VanDerWaalsContact OD1-N 3.16Å; I313-L315 VanDerWaalsContact C-N 3.32Å; I313-L315 PolarHBondContact O-N 3.42Å; I313-S316 WeakPolarHBondContact CA-OG 2.74Å; I313-S316 PolarHBondContact O-N 3.33Å; I313-S316 PolarHBondContact O-OG 3.13Å; I313-I317 HydrophobicContact CG2-CD1 3.97Å; I313-I317 WeakPolarHBondContact O-CG1 3.45Å; I313-I317 PolarHBondContact O-N 3.37Å
314	A	76.4	Confident	71	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-65.6	-38.2	-179.8	0	0	0	0	0	110.8	A299 L300 L303 N311 S316 I317 C318	A299-A314 HydrophobicContact CB-CB 4.14Å; L300-A314 HydrophobicContact CD2-CB 4.34Å; L303-A314 HydrophobicContact CB-CB 4.21Å; L303-A314 HydrophobicContact CD2-CB 4Å; N311-A314 HydrophobicContact CB-CB 4.03Å; N311-A314 PolarHBondContact O-N 2.99Å; A314-S316 VanDerWaalsContact C-N 3.28Å; A314-S316 PolarHBondContact O-N 3.3Å; A314-I317 PolarHBondContact O-N 3.21Å; A314-C318 WeakPolarHBondContact O-CB 2.89Å; A314-C318 PolarHBondContact O-N 3.34Å; A314-C318 PolarHBondContact O-SG 2.81Å
315	L	78.4	Confident	70.3	Confident	39 Å²	39	62.5 Å²	62.5	20%	0.204	38%	0.38	C	S	.	.	H	α-helix	trans	-69.4	-37.5	-179.1	-74.9	173	0	0	0	110.1	L303 N311 I313 I317 C318 R319	L303-L315 HydrophobicContact CD2-CD2 4.41Å; N311-L315 WeakPolarHBondContact O-CG 3.45Å; N311-L315 PolarHBondContact O-N 2.56Å; N311-L315 VanDerWaalsContact O-N 3.08Å; I313-L315 VanDerWaalsContact C-N 3.32Å; I313-L315 PolarHBondContact O-N 3.42Å; L315-I317 PolarHBondContact O-N 3.44Å; L315-C318 PolarHBondContact O-N 1.92Å; L315-R319 VanDerWaalsContact O-CG 3.23Å; L315-R319 WeakPolarHBondContact O-CG 2.9Å; L315-R319 PolarHBondContact O-N 3.3Å; L315-R319 VanDerWaalsContact O-N 3.13Å
316	S	80.3	Confident	69.9	Low	34 Å²	34	60.1 Å²	60.1	24%	0.238	37%	0.367	C	S	.	.	H	α-helix	trans	-65	-38.6	177.6	65.8	0	0	0	0	111.5	P312 I313 A314 C318 R319 L320	P312-S316 VanDerWaalsContact O-CB 3.3Å; P312-S316 WeakPolarHBondContact O-CB 3.23Å; P312-S316 PolarHBondContact O-N 2.29Å; P312-S316 PolarHBondContact O-OG 3.44Å; I313-S316 WeakPolarHBondContact CA-OG 2.74Å; I313-S316 PolarHBondContact O-N 3.33Å; I313-S316 PolarHBondContact O-OG 3.13Å; A314-S316 VanDerWaalsContact C-N 3.28Å; A314-S316 PolarHBondContact O-N 3.3Å; S316-C318 PolarHBondContact O-N 3.13Å; S316-R319 PolarHBondContact O-N 3.14Å; S316-L320 VanDerWaalsContact O-CG 3.29Å; S316-L320 WeakPolarHBondContact O-CG 3.25Å
317	I	80.3	Confident	70.1	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-69.8	0	-179.1	-69.4	173.5	0	0	0	109.7	F167 Y296 L300 I313 A314 L315 R319 L320 P321 I336	F167-I317 HydrophobicContact CD1-CG1 4.41Å; F167-I317 HydrophobicContact CD1-CG2 4.25Å; F167-I317 HydrophobicContact CD2-CD1 4.12Å; F167-I317 HydrophobicContact CE1-CG2 3.96Å; F167-I317 HydrophobicContact CE2-CD1 4.45Å; F167-I317 HydrophobicContact CG-CD1 4.23Å; F167-I317 HydrophobicContact CG-CG1 4.31Å; F167-I317 HydrophobicContact CZ-CG2 4.27Å; Y296-I317 HydrophobicContact CD1-CD1 3.38Å; Y296-I317 HydrophobicContact CE1-CD1 4.11Å; Y296-I317 HydrophobicContact CG-CD1 4.07Å; L300-I317 HydrophobicContact CD2-CB 4.45Å; L300-I317 HydrophobicContact CD2-CG2 4.23Å; I313-I317 HydrophobicContact CG2-CD1 3.97Å; I313-I317 WeakPolarHBondContact O-CG1 3.45Å; I313-I317 PolarHBondContact O-N 3.37Å; A314-I317 PolarHBondContact O-N 3.21Å; L315-I317 PolarHBondContact O-N 3.44Å; I317-R319 PolarHBondContact O-N 2.81Å; I317-L320 HydrophobicContact CB-CD1 4.46Å; I317-L320 HydrophobicContact CG2-CD1 4.37Å; I317-L320 VanDerWaalsContact O-CB 3.27Å; I317-L320 WeakPolarHBondContact O-CB 3.41Å; I317-L320 WeakPolarHBondContact O-CG 3.47Å; I317-L320 PolarHBondContact O-N 3.47Å; I317-P321 WeakPolarHBondContact O-CD 3.48Å; I317-I336 HydrophobicContact CG2-CD1 3.75Å
318	C	78.6	Confident	70.8	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.014	33%	0.33	C	S	.	.	H	α-helix		0	-13.5	0	-73.8	0	0	0	0	110.3	A314 L315 S316 L320 Y329 I332 T333	A314-C318 WeakPolarHBondContact O-CB 2.89Å; A314-C318 PolarHBondContact O-N 3.34Å; A314-C318 PolarHBondContact O-SG 2.81Å; L315-C318 PolarHBondContact O-N 1.92Å; S316-C318 PolarHBondContact O-N 3.13Å; C318-L320 VanDerWaalsContact C-N 3.27Å; C318-Y329 HydrophobicContact CB-CD1 3.39Å; C318-Y329 HydrophobicContact CB-CE1 3.94Å; C318-I332 HydrophobicContact CB-CG2 4.16Å; C318-I332 WeakPolarHBondContact O-CD1 3.07Å; C318-T333 PolarHBondContact SG-OG1 3.36Å
319	R	80.2	Confident	71.8	Confident	172 Å²	172	59 Å²	59	65%	0.649	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-0.7	-179.7	-73.8	-179.1	-178.2	170.8	0	110.4	L315 S316 I317 Y329	L315-R319 VanDerWaalsContact O-CG 3.23Å; L315-R319 WeakPolarHBondContact O-CG 2.9Å; L315-R319 PolarHBondContact O-N 3.3Å; L315-R319 VanDerWaalsContact O-N 3.13Å; S316-R319 PolarHBondContact O-N 3.14Å; I317-R319 PolarHBondContact O-N 2.81Å; R319-Y329 HydrophobicContact CG-CE1 3.74Å; R319-Y329 PolarHBondContact NE-OH 3.08Å
320	L	78.8	Confident	72.5	Confident	17 Å²	17	55.8 Å²	55.8	9%	0.089	32%	0.318	C	S	.	.	S	Bend	trans	-79.4	-42.2	-172.2	-70.6	172.1	0	0	0	111.2	F167 K170 R171 S316 I317 C318	F167-L320 HydrophobicContact CD1-CD1 4.12Å; K170-L320 HydrophobicContact CB-CD2 3.37Å; K170-L320 HydrophobicContact CG-CD2 4.24Å; K170-L320 WeakPolarHBondContact O-CD2 3.35Å; R171-L320 WeakPolarHBondContact O-CD1 2.91Å; S316-L320 VanDerWaalsContact O-CG 3.29Å; S316-L320 WeakPolarHBondContact O-CG 3.25Å; I317-L320 HydrophobicContact CB-CD1 4.46Å; I317-L320 HydrophobicContact CG2-CD1 4.37Å; I317-L320 VanDerWaalsContact O-CB 3.27Å; I317-L320 WeakPolarHBondContact O-CB 3.41Å; I317-L320 WeakPolarHBondContact O-CG 3.47Å; I317-L320 PolarHBondContact O-N 3.47Å; C318-L320 VanDerWaalsContact C-N 3.27Å
321	P	75.4	Confident	73.1	Confident	7 Å²	7	50.3 Å²	50.3	5%	0.045	29%	0.288	C	S	.	.	S	Bend	trans	-68.6	140.4	-177.1	-19.1	27.1	0	0	0	112.1	L217 I317 T323 I332 I336	L217-P321 HydrophobicContact CD2-CB 3.95Å; L217-P321 HydrophobicContact CD2-CG 3.66Å; I317-P321 WeakPolarHBondContact O-CD 3.48Å; P321-T323 HydrophobicContact CB-CG2 3.94Å; P321-T323 PolarHBondContact O-N 3.32Å; P321-T323 VanDerWaalsContact O-N 3.08Å; P321-I332 HydrophobicContact CG-CG2 4Å; P321-I336 HydrophobicContact CG-CD1 4.49Å
322	N	66.5	Low	73.8	Confident	124 Å²	124	49.1 Å²	49.1	66%	0.663	28%	0.282	S	S	*	.			trans	-75.6	84.9	176.4	-72.6	-17.7	0	0	0	111.1
323	T	66.4	Low	74.1	Confident	46 Å²	46	44.6 Å²	44.6	28%	0.282	25%	0.252	S	S	.	.			trans	-104.8	147.9	-176.8	57.6	0	0	0	0	109	P216 P321 I332	P216-T323 WeakPolarHBondContact O-CG2 3.23Å; P321-T323 HydrophobicContact CB-CG2 3.94Å; P321-T323 PolarHBondContact O-N 3.32Å; P321-T323 VanDerWaalsContact O-N 3.08Å; T323-I332 HydrophobicContact CG2-CD1 4.15Å
324	S	59.4	Low	74.4	Confident	35 Å²	35	44.1 Å²	44.1	25%	0.245	25%	0.248	C	C	.	.			trans	-66.9	120.4	170.5	55.3	0	0	0	0	111.4	E213 S326 V327	E213-S324 PolarHBondContact O-OG 3.16Å; S324-S326 PolarHBondContact O-N 2.61Å; S324-V327 PolarHBondContact O-N 3.26Å
325	G	57.8	Low	74.9	Confident	97 Å²	97	44.1 Å²	44.1	100%	1	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-18.1	0	176.6	0	0	0	0	0	112.7
326	S	63.2	Low	75.4	Confident	29 Å²	29	42.2 Å²	42.2	20%	0.203	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn		0	5.6	0	98.6	0	0	0	0	111.2	S324 F452	S324-S326 PolarHBondContact O-N 2.61Å; S326-F452 VanDerWaalsContact C-CZ 3.46Å; S326-F452 WeakPolarHBondContact O-CD1 3.28Å; S326-F452 WeakPolarHBondContact O-CE1 3.31Å; S326-F452 WeakPolarHBondContact O-CE2 3.37Å; S326-F452 WeakPolarHBondContact O-CG 3.19Å; S326-F452 WeakPolarHBondContact O-CZ 3.05Å; S326-F452 WeakPolarHBondContact OG-CD1 3.42Å; S326-F452 WeakPolarHBondContact OG-CE1 3.3Å
327	V	69.6	Low	75.8	Confident	22 Å²	22	41.1 Å²	41.1	13%	0.133	23%	0.23	C	C	.	.			trans	-105.8	0	-173.5	-179.9	0	0	0	0	108.2	P216 S324 Q331 I332	P216-V327 HydrophobicContact CB-CG1 3.91Å; S324-V327 PolarHBondContact O-N 3.26Å; V327-Q331 HydrophobicContact CG1-CB 3.89Å; V327-I332 HydrophobicContact CG1-CD1 4.26Å; V327-I332 HydrophobicContact CG1-CG1 3.68Å
328	T	74.6	Confident	76.2	Confident	45 Å²	45	41.6 Å²	41.6	28%	0.276	23%	0.233	S	C	.	.				0	150.7	0	62.9	0	0	0	0	110.3	D330 Q331 I332 K474	T328-D330 PolarHBondContact O-N 2.94Å; T328-Q331 WeakPolarHBondContact O-CB 3.42Å; T328-Q331 PolarHBondContact O-N 2.93Å; T328-Q331 WeakPolarHBondContact OG1-CG 3.38Å; T328-Q331 PolarHBondContact OG1-N 3.3Å; T328-I332 PolarHBondContact O-N 2.96Å; T328-K474 PolarHBondContact OG1-NZ 3.26Å
329	Y	77.9	Confident	76.8	Confident	107 Å²	107	41.6 Å²	41.6	42%	0.42	23%	0.233	S	C	.	.	H	α-helix	trans	-56.6	-28.3	179.4	-80	-72.6	0	0	0	111.1	C318 R319 Q331 I332 T333	C318-Y329 HydrophobicContact CB-CD1 3.39Å; C318-Y329 HydrophobicContact CB-CE1 3.94Å; R319-Y329 HydrophobicContact CG-CE1 3.74Å; R319-Y329 PolarHBondContact NE-OH 3.08Å; Y329-Q331 VanDerWaalsContact C-N 3.26Å; Y329-Q331 PolarHBondContact O-N 3.28Å; Y329-I332 PolarHBondContact O-N 3Å; Y329-T333 WeakPolarHBondContact O-CB 3Å; Y329-T333 PolarHBondContact O-N 3.38Å; Y329-T333 PolarHBondContact O-OG1 2.71Å
330	D	72.7	Confident	77.4	Confident	65 Å²	65	33.4 Å²	33.4	35%	0.348	20%	0.202	S	C	.	.	H	α-helix	trans	-68.1	-37.2	179.6	-170.7	35.7	0	0	0	111.1	T328 I332 T333 Q334	T328-D330 PolarHBondContact O-N 2.94Å; D330-I332 VanDerWaalsContact C-N 3.33Å; D330-T333 PolarHBondContact O-N 3.11Å; D330-Q334 PolarHBondContact O-N 2.1Å
331	Q	75.5	Confident	77.9	Confident	11 Å²	11	32.6 Å²	32.6	5%	0.051	20%	0.198	C	C	.	.	H	α-helix	trans	-72.1	-34.4	-178.9	-73.6	179.1	-24.3	0	0	110.5	V327 T328 Y329 T333 A335 W455	V327-Q331 HydrophobicContact CG1-CB 3.89Å; T328-Q331 WeakPolarHBondContact O-CB 3.42Å; T328-Q331 PolarHBondContact O-N 2.93Å; T328-Q331 WeakPolarHBondContact OG1-CG 3.38Å; T328-Q331 PolarHBondContact OG1-N 3.3Å; Y329-Q331 VanDerWaalsContact C-N 3.26Å; Y329-Q331 PolarHBondContact O-N 3.28Å; Q331-T333 VanDerWaalsContact C-N 3.32Å; Q331-A335 WeakPolarHBondContact O-CB 3.2Å; Q331-A335 PolarHBondContact O-N 2.42Å; Q331-W455 HydrophobicContact CB-CH2 3.88Å; Q331-W455 HydrophobicContact CB-CZ2 2.81Å; Q331-W455 HydrophobicContact CG-CH2 4.46Å; Q331-W455 HydrophobicContact CG-CZ2 3.23Å; Q331-W455 VanDerWaalsContact CG-NE1 3.29Å; Q331-W455 WeakPolarHBondContact O-CH2 3.18Å; Q331-W455 WeakPolarHBondContact O-CZ2 2.91Å
332	I	84.4	Confident	78.5	Confident	5 Å²	5	32.2 Å²	32.2	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-70.6	-38.1	179.5	-66.5	174.6	0	0	0	109.5	P216 C318 P321 T323 V327 T328 Y329 D330 Q334 A335 I336	P216-I332 HydrophobicContact CB-CG1 4.42Å; C318-I332 HydrophobicContact CB-CG2 4.16Å; C318-I332 WeakPolarHBondContact O-CD1 3.07Å; P321-I332 HydrophobicContact CG-CG2 4Å; T323-I332 HydrophobicContact CG2-CD1 4.15Å; V327-I332 HydrophobicContact CG1-CD1 4.26Å; V327-I332 HydrophobicContact CG1-CG1 3.68Å; T328-I332 PolarHBondContact O-N 2.96Å; Y329-I332 PolarHBondContact O-N 3Å; D330-I332 VanDerWaalsContact C-N 3.33Å; I332-Q334 VanDerWaalsContact C-N 3.33Å; I332-Q334 PolarHBondContact O-N 2.53Å; I332-A335 PolarHBondContact O-N 2.1Å; I332-I336 HydrophobicContact CG2-CD1 3.81Å; I332-I336 HydrophobicContact CG2-CG1 4.33Å; I332-I336 WeakPolarHBondContact O-CG1 3.49Å; I332-I336 PolarHBondContact O-N 3.22Å
333	T	84.2	Confident	79.7	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.2	-43.6	179.8	-58.2	0	0	0	0	111.1	L300 L303 C318 Y329 D330 Q331 A335 I336 T337	L300-T333 HydrophobicContact CB-CG2 3.78Å; L300-T333 HydrophobicContact CD2-CG2 3.93Å; L300-T333 WeakPolarHBondContact O-CG2 3.16Å; L303-T333 HydrophobicContact CB-CG2 4.09Å; L303-T333 HydrophobicContact CD2-CG2 4.45Å; L303-T333 WeakPolarHBondContact CD2-OG1 3.23Å; C318-T333 PolarHBondContact SG-OG1 3.36Å; Y329-T333 WeakPolarHBondContact O-CB 3Å; Y329-T333 PolarHBondContact O-N 3.38Å; Y329-T333 PolarHBondContact O-OG1 2.71Å; D330-T333 PolarHBondContact O-N 3.11Å; Q331-T333 VanDerWaalsContact C-N 3.32Å; T333-A335 VanDerWaalsContact C-N 3.29Å; T333-A335 PolarHBondContact O-N 2.7Å; T333-I336 PolarHBondContact O-N 3.21Å; T333-T337 VanDerWaalsContact O-CB 3.29Å; T333-T337 WeakPolarHBondContact O-CB 3.28Å; T333-T337 PolarHBondContact O-N 3.2Å; T333-T337 PolarHBondContact O-OG1 3.09Å
334	Q	81.5	Confident	80.8	Confident	69 Å²	69	24.7 Å²	24.7	32%	0.322	15%	0.153	S	C	.	.	H	α-helix	trans	-66.4	0	179.8	-174.5	171.6	16.5	0	0	110.5	D330 I332 T337 T338 W455	D330-Q334 PolarHBondContact O-N 2.1Å; I332-Q334 VanDerWaalsContact C-N 3.33Å; I332-Q334 PolarHBondContact O-N 2.53Å; Q334-T337 PolarHBondContact O-N 2.24Å; Q334-T338 WeakPolarHBondContact O-CB 3.46Å; Q334-T338 PolarHBondContact O-N 2.55Å; Q334-T338 PolarHBondContact O-OG1 3.24Å; Q334-W455 HydrophobicContact CB-CH2 4.05Å; Q334-W455 HydrophobicContact CG-CH2 4.47Å
335	A	86.6	Confident	82.1	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.155	C	C	.	.	H	α-helix		0	0	0	0	0	0	0	0	110.3	T209 P216 L217 Q331 I332 T333 T338 C339 W455	T209-A335 HydrophobicContact CG2-CB 4.3Å; P216-A335 HydrophobicContact CB-CB 4.03Å; P216-A335 HydrophobicContact CG-CB 3.95Å; L217-A335 HydrophobicContact CD1-CB 3.91Å; L217-A335 HydrophobicContact CG-CB 3.95Å; Q331-A335 WeakPolarHBondContact O-CB 3.2Å; Q331-A335 PolarHBondContact O-N 2.42Å; I332-A335 PolarHBondContact O-N 2.1Å; T333-A335 VanDerWaalsContact C-N 3.29Å; T333-A335 PolarHBondContact O-N 2.7Å; A335-T338 PolarHBondContact O-N 2.8Å; A335-C339 PolarHBondContact O-N 3.43Å; A335-C339 PolarHBondContact O-SG 2.85Å; A335-W455 HydrophobicContact CB-CH2 4.01Å; A335-W455 HydrophobicContact CB-CZ3 4.11Å
336	I	90	Very high	83.6	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.111	C	C	.	.	H	α-helix		0	0	0	-69.7	176.1	0	0	0	109.7	F167 L217 L300 I317 P321 I332 T333 C339 L340	F167-I336 HydrophobicContact CZ-CG2 4.35Å; L217-I336 HydrophobicContact CD1-CG1 4.4Å; L217-I336 HydrophobicContact CD2-CD1 4.48Å; L217-I336 HydrophobicContact CD2-CG1 3.89Å; L300-I336 HydrophobicContact CD1-CB 4.22Å; L300-I336 HydrophobicContact CD1-CG2 3.51Å; I317-I336 HydrophobicContact CG2-CD1 3.75Å; P321-I336 HydrophobicContact CG-CD1 4.49Å; I332-I336 HydrophobicContact CG2-CD1 3.81Å; I332-I336 HydrophobicContact CG2-CG1 4.33Å; I332-I336 WeakPolarHBondContact O-CG1 3.49Å; I332-I336 PolarHBondContact O-N 3.22Å; T333-I336 PolarHBondContact O-N 3.21Å; I336-C339 PolarHBondContact O-N 2.71Å; I336-L340 HydrophobicContact CG2-CD1 4.13Å; I336-L340 HydrophobicContact CG2-CG 4.33Å; I336-L340 WeakPolarHBondContact O-CG 3.38Å; I336-L340 PolarHBondContact O-N 3.11Å
337	T	89	Confident	84.9	Confident	11 Å²	11	22.3 Å²	22.3	7%	0.067	10%	0.104	C	C	.	.	H	α-helix		0	-44.7	0	-61.4	0	0	0	0	111	L297 T333 Q334 C339 L340 V341 L408	L297-T337 HydrophobicContact CD1-CG2 3.82Å; T333-T337 VanDerWaalsContact O-CB 3.29Å; T333-T337 WeakPolarHBondContact O-CB 3.28Å; T333-T337 PolarHBondContact O-N 3.2Å; T333-T337 PolarHBondContact O-OG1 3.09Å; Q334-T337 PolarHBondContact O-N 2.24Å; T337-C339 VanDerWaalsContact C-N 3.31Å; T337-C339 PolarHBondContact O-N 3.17Å; T337-L340 PolarHBondContact O-N 3.33Å; T337-V341 HydrophobicContact CG2-CG2 4.45Å; T337-V341 WeakPolarHBondContact O-CG2 3.41Å; T337-V341 PolarHBondContact O-N 3.36Å; T337-L408 HydrophobicContact CG2-CD1 3.6Å
338	T	87.3	Confident	85.5	Confident	10 Å²	10	22.4 Å²	22.4	6%	0.061	11%	0.106	C	C	.	.	H	α-helix	trans	-66.9	-36.9	-178.7	-56.8	0	0	0	0	109.9	Q334 A335 V341 T342 Y411 L457	Q334-T338 WeakPolarHBondContact O-CB 3.46Å; Q334-T338 PolarHBondContact O-N 2.55Å; Q334-T338 PolarHBondContact O-OG1 3.24Å; A335-T338 PolarHBondContact O-N 2.8Å; T338-V341 PolarHBondContact O-N 2.91Å; T338-T342 WeakPolarHBondContact O-CB 3.31Å; T338-T342 PolarHBondContact O-N 2.72Å; T338-T342 PolarHBondContact O-OG1 2.88Å; T338-Y411 HydrophobicContact CG2-CD2 3.41Å; T338-Y411 VanDerWaalsContact CG2-CD2 3.41Å; T338-Y411 HydrophobicContact CG2-CE2 3.4Å; T338-Y411 VanDerWaalsContact CG2-CE2 3.4Å; T338-Y411 HydrophobicContact CG2-CG 4.22Å; T338-L457 VanDerWaalsContact CB-CD1 3.46Å; T338-L457 HydrophobicContact CG2-CD1 2.7Å; T338-L457 HydrophobicContact CG2-CD2 4.18Å; T338-L457 HydrophobicContact CG2-CG 3.98Å; T338-L457 WeakPolarHBondContact OG1-CD1 3.2Å
339	C	91.7	Very high	85.3	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.007	11%	0.105	C	C	.	.	H	α-helix	trans	-66.9	0	178.8	-73.5	0	0	0	0	110.6	L177 V181 F210 A335 I336 T337 T342 A343	L177-C339 HydrophobicContact CB-CB 4.06Å; L177-C339 HydrophobicContact CD1-CB 3.97Å; L177-C339 HydrophobicContact CD2-CB 3.88Å; L177-C339 HydrophobicContact CG-CB 4.2Å; V181-C339 HydrophobicContact CG2-CB 4.34Å; F210-C339 VanDerWaalsContact CZ-SG 3.6Å; A335-C339 PolarHBondContact O-N 3.43Å; A335-C339 PolarHBondContact O-SG 2.85Å; I336-C339 PolarHBondContact O-N 2.71Å; T337-C339 VanDerWaalsContact C-N 3.31Å; T337-C339 PolarHBondContact O-N 3.17Å; C339-T342 PolarHBondContact O-N 3.12Å; C339-A343 PolarHBondContact O-N 3.16Å
340	L	92	Very high	84.5	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.092	C	C	.	.	H	α-helix		0	-38.6	0	-74.3	177.2	0	0	0	110.9	I163 F167 L177 L293 L297 L300 I336 T337 T342 A343 H344 W405	I163-L340 HydrophobicContact CD1-CD2 4.39Å; I163-L340 HydrophobicContact CG2-CD2 4.46Å; F167-L340 HydrophobicContact CE2-CD1 4.49Å; L177-L340 HydrophobicContact CD2-CD2 4.27Å; L293-L340 HydrophobicContact CD1-CD2 4.07Å; L297-L340 HydrophobicContact CD1-CB 4.34Å; L297-L340 HydrophobicContact CD1-CD1 4.31Å; L300-L340 HydrophobicContact CD1-CD1 4.12Å; I336-L340 HydrophobicContact CG2-CD1 4.13Å; I336-L340 HydrophobicContact CG2-CG 4.33Å; I336-L340 WeakPolarHBondContact O-CG 3.38Å; I336-L340 PolarHBondContact O-N 3.11Å; T337-L340 PolarHBondContact O-N 3.33Å; L340-T342 VanDerWaalsContact C-N 3.33Å; L340-A343 WeakPolarHBondContact O-CB 3.47Å; L340-A343 PolarHBondContact O-N 3.35Å; L340-H344 PolarHBondContact O-N 3.47Å; L340-W405 HydrophobicContact CB-CZ3 4.23Å; L340-W405 WeakPolarHBondContact O-CZ3 3.43Å
341	V	90.2	Very high	83.6	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-69	0	179.7	172.8	0	0	0	0	109.5	L297 T337 T338 A343 H344 R345 L408 P410	L297-V341 HydrophobicContact CD1-CG2 4.33Å; T337-V341 HydrophobicContact CG2-CG2 4.45Å; T337-V341 WeakPolarHBondContact O-CG2 3.41Å; T337-V341 PolarHBondContact O-N 3.36Å; T338-V341 PolarHBondContact O-N 2.91Å; V341-A343 VanDerWaalsContact C-N 3.28Å; V341-A343 PolarHBondContact O-N 3.49Å; V341-H344 WeakPolarHBondContact O-CB 3.31Å; V341-H344 PolarHBondContact O-N 3.17Å; V341-R345 PolarHBondContact O-N 2.9Å; V341-R345 VanDerWaalsContact O-N 3.09Å; V341-L408 HydrophobicContact CG1-CB 4.34Å; V341-L408 HydrophobicContact CG2-CB 3.69Å; V341-L408 HydrophobicContact CG2-CD1 3.82Å; V341-L408 HydrophobicContact CG2-CG 4.43Å; V341-P410 HydrophobicContact CG1-CB 4.26Å
342	T	89	Confident	81.8	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.122	C	C	.	.	H	α-helix		0	-35.8	0	-57.9	0	0	0	0	110	V181 Y184 T338 C339 L340 R345 Y346 Y411	V181-T342 HydrophobicContact CG2-CG2 4.43Å; Y184-T342 HydrophobicContact CD1-CG2 3.48Å; Y184-T342 VanDerWaalsContact CD1-CG2 3.48Å; Y184-T342 HydrophobicContact CD2-CG2 4.45Å; Y184-T342 HydrophobicContact CE1-CG2 4.08Å; Y184-T342 HydrophobicContact CG-CG2 3.7Å; T338-T342 WeakPolarHBondContact O-CB 3.31Å; T338-T342 PolarHBondContact O-N 2.72Å; T338-T342 PolarHBondContact O-OG1 2.88Å; C339-T342 PolarHBondContact O-N 3.12Å; L340-T342 VanDerWaalsContact C-N 3.33Å; T342-R345 PolarHBondContact O-N 3.21Å; T342-Y346 WeakPolarHBondContact O-CB 3.34Å; T342-Y346 PolarHBondContact O-N 2.99Å; T342-Y411 WeakPolarHBondContact OG1-CD2 3.42Å; T342-Y411 PolarHBondContact OG1-N 3.44Å
343	A	91.2	Very high	79.2	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.5	-41.4	178.2	0	0	0	0	0	111.1	I180 F289 C339 L340 V341 R345 Y346 Y347	I180-A343 HydrophobicContact CD1-CB 4.23Å; I180-A343 HydrophobicContact CG2-CB 3.57Å; F289-A343 HydrophobicContact CZ-CB 4.08Å; C339-A343 PolarHBondContact O-N 3.16Å; L340-A343 WeakPolarHBondContact O-CB 3.47Å; L340-A343 PolarHBondContact O-N 3.35Å; V341-A343 VanDerWaalsContact C-N 3.28Å; V341-A343 PolarHBondContact O-N 3.49Å; A343-R345 VanDerWaalsContact C-N 3.3Å; A343-R345 PolarHBondContact O-N 3.15Å; A343-Y346 PolarHBondContact O-N 2.53Å; A343-Y347 WeakPolarHBondContact O-CD2 3.14Å; A343-Y347 PolarHBondContact O-N 3.43Å; A343-Y347 VanDerWaalsContact O-N 3.16Å
344	H	89.9	Confident	76.6	Confident	11 Å²	11	34.9 Å²	34.9	5%	0.051	19%	0.193	C	C	.	.	H	α-helix	trans	-60.9	0	177.1	179.9	-94.6	0	0	0	111.4	F289 E290 L340 V341 Y347 S348 W405	F289-H344 HydrophobicContact CE1-CB 4.24Å; E290-H344 VanDerWaalsContact CD-NE2 3.27Å; E290-H344 WeakPolarHBondContact CG-NE2 3.18Å; E290-H344 IonicContact OE1-CD2 3.51Å; E290-H344 PolarHBondContact OE1-CD2 3.32Å; E290-H344 IonicContact OE1-CE1 3.26Å; E290-H344 PolarHBondContact OE1-CE1 3.33Å; E290-H344 VanDerWaalsContact OE1-CE1 3.26Å; E290-H344 IonicContact OE1-NE2 3.28Å; E290-H344 PolarHBondContact OE1-NE2 3.42Å; L340-H344 PolarHBondContact O-N 3.47Å; V341-H344 WeakPolarHBondContact O-CB 3.31Å; V341-H344 PolarHBondContact O-N 3.17Å; H344-Y347 PolarHBondContact O-N 2.78Å; H344-S348 WeakPolarHBondContact O-CB 3.46Å; H344-S348 PolarHBondContact O-N 1.1Å; H344-S348 PolarHBondContact O-OG 2.3Å; H344-W405 HydrophobicContact CB-CD2 4.44Å; H344-W405 HydrophobicContact CB-CE3 3.53Å; H344-W405 HydrophobicContact CB-CZ3 3.86Å; H344-W405 AromaticContact CG-CE3 3.78Å
345	R	86.4	Confident	74	Confident	75 Å²	75	36 Å²	36	28%	0.283	21%	0.213	S	C	.	.	H	α-helix		0	-36.2	0	-71.8	-74.2	-172.2	177.8	0.4	110.5	Y184 V341 T342 A343 Y347 S348 M349 P410	Y184-R345 HydrophobicContact CE2-CB 4.19Å; V341-R345 PolarHBondContact O-N 2.9Å; V341-R345 VanDerWaalsContact O-N 3.09Å; T342-R345 PolarHBondContact O-N 3.21Å; A343-R345 VanDerWaalsContact C-N 3.3Å; A343-R345 PolarHBondContact O-N 3.15Å; R345-Y347 VanDerWaalsContact C-N 3.3Å; R345-Y347 PolarHBondContact O-N 3.24Å; R345-S348 PolarHBondContact O-N 1.82Å; R345-M349 WeakPolarHBondContact O-CG 1.55Å; R345-M349 PolarHBondContact O-N 2.26Å; R345-P410 HydrophobicContact CG-CB 4.14Å; R345-P410 HydrophobicContact CG-CG 4.13Å
346	Y	89	Confident	71.2	Confident	20 Å²	20	43.1 Å²	43.1	8%	0.078	25%	0.252	C	S	.	.	H	α-helix	trans	-60.6	-42	178.2	168.7	-109.2	0	0	0	110.3	I180 Q183 Y184 T342 A343 S348 M349 S350	I180-Y346 HydrophobicContact CG2-CD1 4.24Å; Q183-Y346 HydrophobicContact CB-CD2 4.33Å; Q183-Y346 HydrophobicContact CB-CE1 4.49Å; Q183-Y346 HydrophobicContact CB-CE2 3.7Å; Y184-Y346 HydrophobicContact CD2-CD2 4.42Å; T342-Y346 WeakPolarHBondContact O-CB 3.34Å; T342-Y346 PolarHBondContact O-N 2.99Å; A343-Y346 PolarHBondContact O-N 2.53Å; Y346-S348 VanDerWaalsContact C-N 3.28Å; Y346-S348 PolarHBondContact O-N 2.37Å; Y346-M349 PolarHBondContact O-N 3.37Å; Y346-S350 PolarHBondContact O-OG 2.75Å
347	Y	89.3	Confident	68.1	Low	17 Å²	17	53.7 Å²	53.7	7%	0.067	29%	0.293	C	S	.	.	H	α-helix	trans	-78.5	-23.2	-177.2	-73.7	-63.4	0	0	0	110.9	L153 P156 C159 F289 A343 H344 R345	L153-Y347 VanDerWaalsContact O-CE1 3.27Å; L153-Y347 WeakPolarHBondContact O-CE1 3.23Å; L153-Y347 VanDerWaalsContact O-CZ 3.3Å; L153-Y347 PolarHBondContact O-OH 2.55Å; P156-Y347 HydrophobicContact CB-CD1 4.14Å; P156-Y347 HydrophobicContact CB-CD2 4.39Å; P156-Y347 HydrophobicContact CB-CG 4.05Å; C159-Y347 PolarHBondContact SG-OH 3.32Å; C159-Y347 VanDerWaalsContact SG-OH 3.34Å; F289-Y347 HydrophobicContact CE2-CD2 4.42Å; F289-Y347 HydrophobicContact CE2-CE2 4.18Å; A343-Y347 WeakPolarHBondContact O-CD2 3.14Å; A343-Y347 PolarHBondContact O-N 3.43Å; A343-Y347 VanDerWaalsContact O-N 3.16Å; H344-Y347 PolarHBondContact O-N 2.78Å; R345-Y347 VanDerWaalsContact C-N 3.3Å; R345-Y347 PolarHBondContact O-N 3.24Å
348	S	84	Confident	65.3	Low	23 Å²	23	58.6 Å²	58.6	16%	0.161	33%	0.325	C	S	.	.	H	α-helix	trans	-76.5	0	177.2	-65.2	0	0	0	0	111.1	L286 H344 R345 Y346 Q351	L286-S348 WeakPolarHBondContact CD2-OG 3.35Å; H344-S348 WeakPolarHBondContact O-CB 3.46Å; H344-S348 PolarHBondContact O-N 1.1Å; H344-S348 PolarHBondContact O-OG 2.3Å; R345-S348 PolarHBondContact O-N 1.82Å; Y346-S348 VanDerWaalsContact C-N 3.28Å; Y346-S348 PolarHBondContact O-N 2.37Å; S348-Q351 WeakPolarHBondContact O-CB 2.45Å; S348-Q351 VanDerWaalsContact O-CG 3.29Å; S348-Q351 WeakPolarHBondContact O-CG 2.99Å
349	M	70.2	Confident	62.3	Low	52 Å²	52	66.8 Å²	66.8	26%	0.256	36%	0.363	S	S	.	.	H	α-helix		0	-26.9	0	-71.4	-174.6	70.2	0	0	110	Y184 R187 R345 Y346 Q351 I352	Y184-M349 HydrophobicContact CD2-SD 4.06Å; Y184-M349 HydrophobicContact CE2-SD 3.32Å; Y184-M349 WeakPolarHBondContact CE2-SD 2.73Å; R187-M349 PolarHBondContact NH2-O 2.96Å; R345-M349 WeakPolarHBondContact O-CG 1.55Å; R345-M349 PolarHBondContact O-N 2.26Å; Y346-M349 PolarHBondContact O-N 3.37Å; M349-Q351 PolarHBondContact O-N 3.46Å; M349-I352 PolarHBondContact O-N 3.32Å; M349-I352 VanDerWaalsContact O-N 3.09Å
350	S	61.4	Low	59.3	Low	22 Å²	22	72.7 Å²	72.7	15%	0.154	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-65.3	4.5	-178	-58.8	0	0	0	0	110.8	R187 Y346 I352	R187-S350 VanDerWaalsContact CZ-CA 3.43Å; R187-S350 VanDerWaalsContact NH1-CB 3.3Å; R187-S350 PolarHBondContact NH1-OG 3.45Å; Y346-S350 PolarHBondContact O-OG 2.75Å; S350-I352 PolarHBondContact O-N 2.58Å
351	Q	52.7	Low	56	Low	63 Å²	63	84 Å²	84	29%	0.294	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-86.4	0	177	-70.9	-168.4	0.4	0	0	111.3	E283 S348 M349	E283-Q351 PolarHBondContact OE1-NE2 2.78Å; S348-Q351 WeakPolarHBondContact O-CB 2.45Å; S348-Q351 VanDerWaalsContact O-CG 3.29Å; S348-Q351 WeakPolarHBondContact O-CG 2.99Å; M349-Q351 PolarHBondContact O-N 3.46Å
352	I	38	Very low	52.9	Low	144 Å²	144	91.5 Å²	91.5	74%	0.738	48%	0.482	S	S	*	.	G	3₁₀ helix		0	0	0	-62.4	168.4	0	0	0	107.9	M349 S350	M349-I352 PolarHBondContact O-N 3.32Å; M349-I352 VanDerWaalsContact O-N 3.09Å; S350-I352 PolarHBondContact O-N 2.58Å
353	S	30.6	Very low	50	Low	96 Å²	96	96.9 Å²	96.9	67%	0.671	52%	0.519	S	S	*	.				0	0	0	49	0	0	0	0	109.4
354	S	27.7	Very low	46.9	Very low	119 Å²	119	100 Å²	100	83%	0.832	55%	0.551	S	S	*	*				0	0	0	29.9	0	0	0	0	109.9
355	A	28.6	Very low	43.9	Very low	92 Å²	92	108.3 Å²	108.3	76%	0.76	59%	0.59	S	S	*	*				0	100.2	0	0	0	0	0	0	110.3
356	D	26.3	Very low	41.2	Very low	150 Å²	150	108.8 Å²	108.8	80%	0.802	60%	0.604	S	S	*	*				-120.1	85.8	122.1	-93.9	-16	0	0	0	109.9
357	Y	25.7	Very low	38.6	Very low	221 Å²	221	114.1 Å²	114.1	87%	0.867	63%	0.633	S	S	*	*	S	Bend	trans	177	130.6	136.7	-81.1	-83.2	0	0	0	109
358	P	29.5	Very low	35.9	Very low	115 Å²	115	120.7 Å²	120.7	75%	0.747	66%	0.658	S	S	*	*			trans	-67.4	121.9	-156.9	20.8	2.4	0	0	0	111.9
359	E	24.9	Very low	33.4	Very low	181 Å²	181	127.3 Å²	127.3	85%	0.846	69%	0.686	S	S	*	*				13.9	105.1	126.9	-94.1	-177.9	179	0	0	111.9
360	T	28.4	Very low	31.9	Very low	125 Å²	125	128 Å²	128	77%	0.767	70%	0.696	S	S	*	*			trans	-134.8	97.3	135.6	48.5	0	0	0	0	109.2
361	R	24	Very low	30.4	Very low	238 Å²	238	131.7 Å²	131.7	90%	0.898	71%	0.713	S	S	*	*	S	Bend		42.7	0	116.3	-81.6	-176	144.1	161.7	-1.3	111.1
362	D	23.6	Very low	29.4	Very low	158 Å²	158	136 Å²	136	85%	0.845	73%	0.731	S	S	*	*				0	0	0	-94.6	-12.7	0	0	0	109.2
363	S	28.6	Very low	29.3	Very low	112 Å²	112	130.8 Å²	130.8	78%	0.783	71%	0.71	S	S	*	*				0	95.3	0	54.9	0	0	0	0	109.4
364	G	25.3	Very low	29.5	Very low	65 Å²	65	131.7 Å²	131.7	67%	0.67	70%	0.698	S	S	*	*				-10.5	0	122.4	0	0	0	0	0	112.3
365	H	28.7	Very low	29.7	Very low	186 Å²	186	129.1 Å²	129.1	86%	0.861	68%	0.68	S	S	*	*				0	0	0	-81	-10.1	0	0	0	109.4
366	S	28.3	Very low	30	Very low	85 Å²	85	131.8 Å²	131.8	59%	0.594	68%	0.675	S	S	*	*				0	0	0	-162.8	0	0	0	0	109.4
367	I	34	Very low	30.3	Very low	133 Å²	133	127.1 Å²	127.1	68%	0.682	65%	0.648	S	S	*	*	S	Bend		0	0	0	-63.1	170.1	0	0	0	108.3
368	R	33.9	Very low	30.7	Very low	155 Å²	155	121 Å²	121	59%	0.585	63%	0.631	S	S	*	*				0	0	0	-76.2	-163.4	-174.4	159.8	-0.4	109.2	S370 E377	R368-S370 PolarHBondContact O-N 1.92Å; R368-E377 WeakPolarHBondContact CD-OE1 2.44Å; R368-E377 WeakPolarHBondContact CD-OE2 3.44Å; R368-E377 WeakPolarHBondContact CG-OE2 3.35Å; R368-E377 IonicContact CZ-OE1 3.89Å; R368-E377 IonicContact CZ-OE2 3.69Å; R368-E377 IonicContact NE-OE1 3.76Å; R368-E377 PolarHBondContact NE-OE1 2.89Å; R368-E377 IonicContact NE-OE2 3.37Å; R368-E377 PolarHBondContact NE-OE2 3.21Å; R368-E377 IonicContact NH1-OE2 3.28Å
369	H	32	Very low	30.9	Very low	161 Å²	161	120.1 Å²	120.1	75%	0.745	62%	0.619	S	S	*	*				0	0	0	-103.4	-85.5	0	0	0	109.5
370	S	37.2	Very low	31.4	Very low	67 Å²	67	115.1 Å²	115.1	47%	0.469	60%	0.601	S	S	.	*				0	104.3	0	143.6	0	0	0	0	110.2	R368 F372 A373 R374	R368-S370 PolarHBondContact O-N 1.92Å; S370-F372 CarbonylContact O-C 2.89Å; S370-F372 PolarHBondContact O-N 2.89Å; S370-F372 WeakPolarHBondContact OG-CB 3.36Å; S370-F372 PolarHBondContact OG-N 2.74Å; S370-A373 WeakPolarHBondContact O-CA 3.46Å; S370-A373 VanDerWaalsContact O-CB 3.26Å; S370-A373 WeakPolarHBondContact O-CB 3.49Å; S370-A373 PolarHBondContact O-N 2.61Å; S370-R374 PolarHBondContact O-N 3.36Å
371	L	31.4	Very low	31.6	Very low	99 Å²	99	113 Å²	113	52%	0.518	59%	0.588	S	S	.	*	H	α-helix	trans	-26.2	-12.4	171.1	-77.3	173.7	0	0	0	111.2	E810	L371-E810 HydrophobicContact CD1-CG 4.05Å; L371-E810 WeakPolarHBondContact CD1-OE1 3.07Å; L371-E810 HydrophobicContact CD2-CG 4.39Å; L371-E810 WeakPolarHBondContact CD2-OE1 3.44Å; L371-E810 WeakPolarHBondContact CD2-OE2 3.21Å; L371-E810 WeakPolarHBondContact CG-OE1 2.77Å
372	F	31.5	Very low	32	Very low	155 Å²	155	106.9 Å²	106.9	68%	0.68	58%	0.582	S	S	*	*	H	α-helix	trans	-93.4	-24.6	174.7	-134.3	-92.1	0	0	0	110.8	S370	S370-F372 CarbonylContact O-C 2.89Å; S370-F372 PolarHBondContact O-N 2.89Å; S370-F372 WeakPolarHBondContact OG-CB 3.36Å; S370-F372 PolarHBondContact OG-N 2.74Å
373	A	35.9	Very low	32.4	Very low	34 Å²	34	102.3 Å²	102.3	28%	0.281	57%	0.566	S	S	.	*	H	α-helix	trans	-83.4	-19	174.9	0	0	0	0	0	111.3	S370 E377	S370-A373 WeakPolarHBondContact O-CA 3.46Å; S370-A373 VanDerWaalsContact O-CB 3.26Å; S370-A373 WeakPolarHBondContact O-CB 3.49Å; S370-A373 PolarHBondContact O-N 2.61Å; A373-E377 WeakPolarHBondContact O-CB 3.44Å; A373-E377 VanDerWaalsContact O-CG 3.26Å; A373-E377 WeakPolarHBondContact O-CG 2.63Å; A373-E377 PolarHBondContact O-N 3.24Å
374	R	33.1	Very low	32.5	Very low	115 Å²	115	102.4 Å²	102.4	43%	0.434	56%	0.557	S	S	.	*	H	α-helix	trans	-92.4	-26.3	-178	-126.4	172.3	159.9	161.5	0.7	110.3	S370 F376 N378	S370-R374 PolarHBondContact O-N 3.36Å; R374-F376 VanDerWaalsContact C-N 3.34Å; R374-N378 WeakPolarHBondContact O-CB 3.26Å; R374-N378 PolarHBondContact O-N 2.96Å; R374-N378 PolarHBondContact O-ND2 3.43Å
375	S	33.6	Very low	32.5	Very low	65 Å²	65	102.9 Å²	102.9	46%	0.455	56%	0.562	S	S	.	*	H	α-helix	trans	-80.2	-22.3	176.1	-96.6	0	0	0	0	110.7	L379	S375-L379 WeakPolarHBondContact O-CB 3.23Å; S375-L379 WeakPolarHBondContact O-CD1 3.37Å; S375-L379 WeakPolarHBondContact O-CG 3.46Å; S375-L379 PolarHBondContact O-N 3.27Å
376	F	33.2	Very low	32.4	Very low	148 Å²	148	102.7 Å²	102.7	65%	0.649	57%	0.567	S	S	*	*	H	α-helix	trans	-90.6	-27.1	176.8	-171.3	-99.3	0	0	0	110.2	R374 L379 T380	R374-F376 VanDerWaalsContact C-N 3.34Å; F376-L379 PolarHBondContact O-N 3.4Å; F376-T380 WeakPolarHBondContact O-CB 3.31Å; F376-T380 PolarHBondContact O-N 3.44Å; F376-T380 PolarHBondContact O-OG1 2.63Å
377	E	33.8	Very low	32.3	Very low	51 Å²	51	102.3 Å²	102.3	24%	0.238	58%	0.576	C	S	.	*	H	α-helix	trans	-84.1	0	174.5	-88.8	176.2	-178	0	0	110.7	R368 A373 L379 T380 T381	R368-E377 WeakPolarHBondContact CD-OE1 2.44Å; R368-E377 WeakPolarHBondContact CD-OE2 3.44Å; R368-E377 WeakPolarHBondContact CG-OE2 3.35Å; R368-E377 IonicContact CZ-OE1 3.89Å; R368-E377 IonicContact CZ-OE2 3.69Å; R368-E377 IonicContact NE-OE1 3.76Å; R368-E377 PolarHBondContact NE-OE1 2.89Å; R368-E377 IonicContact NE-OE2 3.37Å; R368-E377 PolarHBondContact NE-OE2 3.21Å; R368-E377 IonicContact NH1-OE2 3.28Å; A373-E377 WeakPolarHBondContact O-CB 3.44Å; A373-E377 VanDerWaalsContact O-CG 3.26Å; A373-E377 WeakPolarHBondContact O-CG 2.63Å; A373-E377 PolarHBondContact O-N 3.24Å; E377-L379 VanDerWaalsContact C-N 3.35Å; E377-T380 WeakPolarHBondContact CA-OG1 3.5Å; E377-T380 PolarHBondContact N-OG1 3.23Å; E377-T380 CarbonylContact O-C 3.37Å; E377-T380 PolarHBondContact O-N 3.4Å; E377-T380 PolarHBondContact O-OG1 2.86Å; E377-T380 VanDerWaalsContact O-OG1 3.07Å; E377-T381 WeakPolarHBondContact O-CA 3.35Å; E377-T381 WeakPolarHBondContact O-CB 3.22Å; E377-T381 WeakPolarHBondContact O-CG2 3.31Å; E377-T381 PolarHBondContact O-N 3.48Å; E377-T381 PolarHBondContact O-OG1 3.05Å
378	N	34.3	Very low	31.9	Very low	93 Å²	93	101.5 Å²	101.5	50%	0.497	58%	0.582	S	S	.	*	H	α-helix		0	-13.2	0	-80.7	-12.2	0	0	0	110.4	R374 T381 S382	R374-N378 WeakPolarHBondContact O-CB 3.26Å; R374-N378 PolarHBondContact O-N 2.96Å; R374-N378 PolarHBondContact O-ND2 3.43Å; N378-T381 WeakPolarHBondContact CA-OG1 3.4Å; N378-T381 PolarHBondContact N-OG1 3.13Å; N378-S382 VanDerWaalsContact O-CB 3.23Å; N378-S382 WeakPolarHBondContact O-CB 3.29Å; N378-S382 PolarHBondContact O-N 3.21Å; N378-S382 PolarHBondContact O-OG 1.95Å
379	L	33.7	Very low	31.6	Very low	97 Å²	97	98.9 Å²	98.9	51%	0.508	58%	0.583	S	S	.	*	H	α-helix	trans	-92.8	-11.8	172.5	-83.3	149.5	0	0	0	110.4	S375 F376 E377	S375-L379 WeakPolarHBondContact O-CB 3.23Å; S375-L379 WeakPolarHBondContact O-CD1 3.37Å; S375-L379 WeakPolarHBondContact O-CG 3.46Å; S375-L379 PolarHBondContact O-N 3.27Å; F376-L379 PolarHBondContact O-N 3.4Å; E377-L379 VanDerWaalsContact C-N 3.35Å
380	T	35.4	Very low	31.4	Very low	76 Å²	76	96.1 Å²	96.1	47%	0.466	58%	0.582	S	S	.	*	H	α-helix	trans	-105.8	0	177.6	18.8	0	0	0	0	110.3	F376 E377	F376-T380 WeakPolarHBondContact O-CB 3.31Å; F376-T380 PolarHBondContact O-N 3.44Å; F376-T380 PolarHBondContact O-OG1 2.63Å; E377-T380 WeakPolarHBondContact CA-OG1 3.5Å; E377-T380 PolarHBondContact N-OG1 3.23Å; E377-T380 CarbonylContact O-C 3.37Å; E377-T380 PolarHBondContact O-N 3.4Å; E377-T380 PolarHBondContact O-OG1 2.86Å; E377-T380 VanDerWaalsContact O-OG1 3.07Å
381	T	33.3	Very low	30.9	Very low	79 Å²	79	94.6 Å²	94.6	49%	0.485	58%	0.577	S	S	.	*	H	α-helix		0	0	0	21.6	0	0	0	0	109.7	E377 N378	E377-T381 WeakPolarHBondContact O-CA 3.35Å; E377-T381 WeakPolarHBondContact O-CB 3.22Å; E377-T381 WeakPolarHBondContact O-CG2 3.31Å; E377-T381 PolarHBondContact O-N 3.48Å; E377-T381 PolarHBondContact O-OG1 3.05Å; N378-T381 WeakPolarHBondContact CA-OG1 3.4Å; N378-T381 PolarHBondContact N-OG1 3.13Å
382	S	32	Very low	30.9	Very low	110 Å²	110	95.5 Å²	95.5	77%	0.769	59%	0.591	S	S	*	*	S	Bend		0	9.6	0	-56.9	0	0	0	0	109.9	N378	N378-S382 VanDerWaalsContact O-CB 3.23Å; N378-S382 WeakPolarHBondContact O-CB 3.29Å; N378-S382 PolarHBondContact O-N 3.21Å; N378-S382 PolarHBondContact O-OG 1.95Å
383	A	32.2	Very low	30.7	Very low	63 Å²	63	92.6 Å²	92.6	52%	0.521	58%	0.582	S	S	.	*	S	Bend	trans	-127.2	0	171.7	0	0	0	0	0	109.8
384	L	29.2	Very low	30.4	Very low	113 Å²	113	94.2 Å²	94.2	59%	0.592	60%	0.602	S	S	*	*				0	0	0	-70.2	171.3	0	0	0	109.2	R1219	L384-R1219 VanDerWaalsContact CD2-CZ 3.43Å
385	G	26	Very low	30.2	Very low	75 Å²	75	94.3 Å²	94.3	77%	0.773	62%	0.62	S	S	*	*				0	0	0	0	0	0	0	0	112.2
386	L	25.7	Very low	29.7	Very low	183 Å²	183	94.2 Å²	94.2	96%	0.958	63%	0.629	S	S	*	*				0	104.7	0	-85.8	146.9	0	0	0	110.3
387	G	26.5	Very low	29.4	Very low	76 Å²	76	91.5 Å²	91.5	78%	0.784	62%	0.621	S	S	*	*				140	0	122.8	0	0	0	0	0	110.3
388	S	26.3	Very low	29.3	Very low	116 Å²	116	94.7 Å²	94.7	81%	0.811	65%	0.649	S	S	*	*				0	0	0	-145.7	0	0	0	0	110.1
389	V	27.5	Very low	29.4	Very low	101 Å²	101	94 Å²	94	61%	0.612	65%	0.652	S	S	*	*				0	0	0	-93.9	0	0	0	0	108.2	T1222	V389-T1222 VanDerWaalsContact C-CB 3.47Å; V389-T1222 PolarHBondContact O-OG1 2.65Å
390	S	28	Very low	29.3	Very low	102 Å²	102	92.6 Å²	92.6	71%	0.713	65%	0.654	S	S	*	*				0	0	0	-165.2	0	0	0	0	110.9	T1222	S390-T1222 CovalentContact C-CG2 1.68Å; S390-T1222 WeakPolarHBondContact CA-OG1 3.48Å; S390-T1222 VanDerWaalsContact CB-CB 3.41Å; S390-T1222 PolarHBondContact N-OG1 2.7Å; S390-T1222 CarbonylContact O-C 3.42Å; S390-T1222 WeakPolarHBondContact O-CA 3.45Å; S390-T1222 CovalentContact O-CB 0.69Å; S390-T1222 WeakPolarHBondContact O-CB 3.23Å; S390-T1222 WeakPolarHBondContact O-CG2 2.75Å; S390-T1222 PolarHBondContact O-N 3.3Å; S390-T1222 CovalentContact O-OG1 1.12Å; S390-T1222 PolarHBondContact O-OG1 2.73Å; S390-T1222 WeakPolarHBondContact OG-CG2 3.14Å
391	G	26.2	Very low	29.1	Very low	36 Å²	36	89.6 Å²	89.6	37%	0.371	64%	0.638	S	S	.	*				0	0	0	0	0	0	0	0	110.4	S1221 T1222	G391-S1221 CarbonylContact O-C 3.26Å; G391-T1222 PolarHBondContact N-OG1 3.18Å; G391-T1222 PolarHBondContact O-N 3.42Å; G391-T1222 PolarHBondContact O-OG1 2.75Å
392	S	31.1	Very low	29.8	Very low	117 Å²	117	88.6 Å²	88.6	82%	0.818	63%	0.634	S	S	*	*				0	0	0	-81.6	0	0	0	0	109.7
393	I	28.5	Very low	31	Very low	94 Å²	94	88.6 Å²	88.6	48%	0.482	62%	0.622	S	S	.	*				0	0	0	-39.3	169.6	0	0	0	108.2	D1218	I393-D1218 HydrophobicContact CG2-CB 4.02Å; I393-D1218 WeakPolarHBondContact CG2-OD1 2.96Å
394	G	27.8	Very low	33	Very low	68 Å²	68	87.2 Å²	87.2	70%	0.701	61%	0.606	S	S	*	*				0	0	0	0	0	0	0	0	111.3
395	S	28.8	Very low	35.4	Very low	118 Å²	118	81.9 Å²	81.9	83%	0.825	58%	0.577	S	S	*	*				0	99.5	0	-35.1	0	0	0	0	109.5
396	G	25.2	Very low	37.7	Very low	62 Å²	62	81.8 Å²	81.8	64%	0.639	56%	0.562	S	S	*	*				174.5	0	128.3	0	0	0	0	0	110
397	L	26.9	Very low	39.9	Very low	91 Å²	91	81 Å²	81	48%	0.476	55%	0.551	S	S	.	*	S	Bend		0	80	0	-82.7	149.8	0	0	0	109.3	S399 F967	L397-S399 PolarHBondContact O-N 3.22Å; L397-F967 HydrophobicContact CD2-CD1 3.97Å; L397-F967 HydrophobicContact CD2-CE1 3.96Å
398	S	30.4	Very low	42.3	Very low	118 Å²	118	79 Å²	79	83%	0.825	52%	0.522	S	S	*	.	S	Bend	trans	84.4	0	136.9	-62.1	0	0	0	0	111
399	S	35.8	Very low	44.6	Very low	80 Å²	80	77.5 Å²	77.5	56%	0.559	51%	0.508	S	S	*	.				0	0	0	96.2	0	0	0	0	109.4	L397 G401 S402	L397-S399 PolarHBondContact O-N 3.22Å; S399-G401 VanDerWaalsContact C-N 3.31Å; S399-G401 PolarHBondContact O-N 2.15Å; S399-S402 PolarHBondContact O-N 3Å
400	A	31.6	Very low	46.9	Very low	67 Å²	67	73.5 Å²	73.5	55%	0.554	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn		0	0.8	0	0	0	0	0	0	109.9	S402	A400-S402 PolarHBondContact O-N 3.19Å
401	G	32.3	Very low	48.8	Very low	12 Å²	12	68.8 Å²	68.8	12%	0.124	45%	0.451	C	S	.	.	H	α-helix	trans	-93.3	0	-179.4	0	0	0	0	0	111.4	S399 W405	S399-G401 VanDerWaalsContact C-N 3.31Å; S399-G401 PolarHBondContact O-N 2.15Å; G401-W405 PolarHBondContact O-NE1 3.15Å
402	S	48.6	Very low	50.5	Low	58 Å²	58	68.2 Å²	68.2	41%	0.406	44%	0.441	S	S	.	.	H	α-helix		0	0	0	93.8	0	0	0	0	111.2	S399 A400	S399-S402 PolarHBondContact O-N 3Å; A400-S402 PolarHBondContact O-N 3.19Å
403	H	56.2	Low	51.8	Low	110 Å²	110	64.5 Å²	64.5	51%	0.509	42%	0.417	S	S	.	.	H	α-helix		0	0	0	-77.8	-75.8	0	0	0	110.3	T406 K407	H403-T406 PolarHBondContact O-N 3.23Å; H403-T406 PolarHBondContact O-OG1 2.94Å; H403-K407 WeakPolarHBondContact O-CG 2.8Å; H403-K407 PolarHBondContact O-N 2.98Å
404	L	73.6	Confident	52.9	Low	35 Å²	35	64.9 Å²	64.9	18%	0.183	42%	0.415	C	S	.	.	H	α-helix		0	-31.3	0	-78.7	171.4	0	0	0	110.5	L297 D298 T406 K407 L408	L297-L404 HydrophobicContact CD2-CB 4.22Å; D298-L404 HydrophobicContact CB-CD1 4.43Å; D298-L404 VanDerWaalsContact CG-CD1 3.43Å; D298-L404 WeakPolarHBondContact OD1-CD1 1.19Å; L404-T406 PolarHBondContact O-N 2.87Å; L404-K407 PolarHBondContact O-N 2.12Å; L404-L408 WeakPolarHBondContact O-CG 3.4Å; L404-L408 PolarHBondContact O-N 2.86Å
405	W	79.7	Confident	53.5	Low	0 Å²	0	65.8 Å²	65.8	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-64.7	0	-175.2	-68.4	100.5	0	0	0	110.9	F289 E290 L293 S294 L297 L340 H344 G401	F289-W405 HydrophobicContact CD1-CH2 4.46Å; F289-W405 AromaticContact CE1-CH2 3.95Å; F289-W405 HydrophobicContact CE1-CH2 3.95Å; F289-W405 HydrophobicContact CE1-CZ3 4.02Å; E290-W405 HydrophobicContact CG-CG 4.47Å; L293-W405 HydrophobicContact CB-CH2 3.97Å; L293-W405 HydrophobicContact CB-CZ2 4.04Å; S294-W405 PolarHBondContact OG-NE1 3.49Å; L297-W405 HydrophobicContact CB-CZ2 4.38Å; L297-W405 HydrophobicContact CD2-CD2 3.6Å; L297-W405 HydrophobicContact CD2-CE3 3.83Å; L297-W405 HydrophobicContact CD2-CG 4.15Å; L297-W405 HydrophobicContact CD2-CH2 3.98Å; L297-W405 HydrophobicContact CD2-CZ2 3.79Å; L297-W405 HydrophobicContact CD2-CZ3 4.01Å; L340-W405 HydrophobicContact CB-CZ3 4.23Å; L340-W405 WeakPolarHBondContact O-CZ3 3.43Å; H344-W405 HydrophobicContact CB-CD2 4.44Å; H344-W405 HydrophobicContact CB-CE3 3.53Å; H344-W405 HydrophobicContact CB-CZ3 3.86Å; H344-W405 AromaticContact CG-CE3 3.78Å; G401-W405 PolarHBondContact O-NE1 3.15Å
406	T	73.9	Confident	53.6	Low	74 Å²	74	69.4 Å²	69.4	45%	0.454	41%	0.412	S	S	.	.	H	α-helix		0	0	0	46.8	0	0	0	0	110.4	H403 L404	H403-T406 PolarHBondContact O-N 3.23Å; H403-T406 PolarHBondContact O-OG1 2.94Å; L404-T406 PolarHBondContact O-N 2.87Å
407	K	73.7	Confident	54.1	Low	165 Å²	165	73.4 Å²	73.4	72%	0.717	41%	0.414	S	S	*	.	H	α-helix		0	-28.4	0	-82.7	-171.5	-178.4	-179.2	0	110.4	H403 L404	H403-K407 WeakPolarHBondContact O-CG 2.8Å; H403-K407 PolarHBondContact O-N 2.98Å; L404-K407 PolarHBondContact O-N 2.12Å
408	L	76.9	Confident	54.1	Low	36 Å²	36	78 Å²	78	19%	0.188	43%	0.43	C	S	.	.	S	Bend	trans	-86.1	145.9	-174.7	-66.1	173.7	0	0	0	110.1	L297 H301 T337 V341 L404	L297-L408 HydrophobicContact CD1-CD1 4.28Å; L297-L408 HydrophobicContact CD2-CD1 4.49Å; L297-L408 HydrophobicContact CG-CD1 4.48Å; H301-L408 VanDerWaalsContact CD2-CD2 3.45Å; H301-L408 WeakPolarHBondContact CD2-CD2 3.2Å; T337-L408 HydrophobicContact CG2-CD1 3.6Å; V341-L408 HydrophobicContact CG1-CB 4.34Å; V341-L408 HydrophobicContact CG2-CB 3.69Å; V341-L408 HydrophobicContact CG2-CD1 3.82Å; V341-L408 HydrophobicContact CG2-CG 4.43Å; L404-L408 WeakPolarHBondContact O-CG 3.4Å; L404-L408 PolarHBondContact O-N 2.86Å
409	T	74.2	Confident	53.9	Low	84 Å²	84	77.2 Å²	77.2	52%	0.515	42%	0.424	S	S	.	.			trans	-87	0	-169.6	47.8	0	0	0	0	109.6
410	P	75.4	Confident	53.7	Low	16 Å²	16	82.4 Å²	82.4	10%	0.104	44%	0.439	C	S	.	.				0	174.5	0	30.8	-32.9	0	0	0	111.9	V341 R345 A413	V341-P410 HydrophobicContact CG1-CB 4.26Å; R345-P410 HydrophobicContact CG-CB 4.14Å; R345-P410 HydrophobicContact CG-CG 4.13Å; P410-A413 HydrophobicContact CG-CB 4.39Å
411	Y	68.1	Low	53.4	Low	4 Å²	4	84.6 Å²	84.6	2%	0.016	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	0	172	-88.7	-92.1	0	0	0	110.2	V181 Y184 E205 T209 T338 T342 L457	V181-Y411 HydrophobicContact CG1-CD2 4.37Å; V181-Y411 HydrophobicContact CG1-CG 4.29Å; V181-Y411 HydrophobicContact CG2-CD2 4.41Å; Y184-Y411 VanDerWaalsContact CE1-O 3.22Å; Y184-Y411 WeakPolarHBondContact CE1-O 3.44Å; E205-Y411 HydrophobicContact CB-CD1 4.21Å; E205-Y411 HydrophobicContact CB-CE1 4Å; T209-Y411 VanDerWaalsContact CB-OH 3.22Å; T209-Y411 WeakPolarHBondContact CB-OH 3.26Å; T209-Y411 WeakPolarHBondContact CG2-OH 3.42Å; T209-Y411 PolarHBondContact OG1-OH 3.44Å; T338-Y411 HydrophobicContact CG2-CD2 3.41Å; T338-Y411 VanDerWaalsContact CG2-CD2 3.41Å; T338-Y411 HydrophobicContact CG2-CE2 3.4Å; T338-Y411 VanDerWaalsContact CG2-CE2 3.4Å; T338-Y411 HydrophobicContact CG2-CG 4.22Å; T342-Y411 WeakPolarHBondContact OG1-CD2 3.42Å; T342-Y411 PolarHBondContact OG1-N 3.44Å; Y411-L457 HydrophobicContact CD1-CD2 4.02Å; Y411-L457 HydrophobicContact CE1-CD2 4.36Å; Y411-L457 HydrophobicContact CG-CD2 4.25Å
412	C	61.2	Low	53.4	Low	24 Å²	24	91.8 Å²	91.8	16%	0.162	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn		0	0	0	-69.8	0	0	0	0	110.2	Y184 L195 V202	Y184-C412 HydrophobicContact CE1-CB 4.15Å; L195-C412 HydrophobicContact CD2-CB 3.74Å; V202-C412 WeakPolarHBondContact CG1-SG 3.49Å; V202-C412 HydrophobicContact CG2-CB 4.38Å
413	A	59.3	Low	52.8	Low	39 Å²	39	97.5 Å²	97.5	32%	0.322	51%	0.511	S	S	.	.				0	0	0	0	0	0	0	0	109.9	P410	P410-A413 HydrophobicContact CG-CB 4.39Å
414	K	50.6	Low	51.5	Low	101 Å²	101	99.9 Å²	99.9	44%	0.439	53%	0.527	S	S	.	.				0	115	0	-72.4	-171.3	-180	174.6	0	110.4	D198 K416	D198-K414 VanDerWaalsContact OD2-CD 3.27Å; D198-K414 WeakPolarHBondContact OD2-CD 3Å; D198-K414 WeakPolarHBondContact OD2-CE 3.02Å; D198-K414 VanDerWaalsContact OD2-CG 3.31Å; D198-K414 WeakPolarHBondContact OD2-CG 3.39Å; D198-K414 IonicContact OD2-NZ 3.79Å; D198-K414 PolarHBondContact OD2-NZ 3.26Å; K414-K416 PolarHBondContact O-N 3.37Å
415	S	41.9	Very low	49.6	Very low	87 Å²	87	110 Å²	110	61%	0.608	56%	0.563	S	S	*	*			trans	-52.1	0	167.8	148.5	0	0	0	0	111.4	Q417	S415-Q417 VanDerWaalsContact C-N 3.3Å; S415-Q417 PolarHBondContact O-N 2.64Å
416	K	31.1	Very low	47.9	Very low	195 Å²	195	117.2 Å²	117.2	85%	0.848	59%	0.594	S	S	*	*				0	0	0	-85.2	-174.1	-178.7	174.4	0	111	K414 K418	K414-K416 PolarHBondContact O-N 3.37Å; K416-K418 PolarHBondContact O-N 3.37Å
417	Q	35.6	Very low	47	Very low	145 Å²	145	116.3 Å²	116.3	68%	0.678	59%	0.591	S	S	*	*				0	69.4	0	-75.3	-150.7	-53.3	0	0	110.8	S415 S419	S415-Q417 VanDerWaalsContact C-N 3.3Å; S415-Q417 PolarHBondContact O-N 2.64Å; Q417-S419 VanDerWaalsContact C-N 3.26Å; Q417-S419 PolarHBondContact O-N 3.43Å; Q417-S419 VanDerWaalsContact O-N 3.11Å
418	K	26.7	Very low	46.5	Very low	188 Å²	188	116.3 Å²	116.3	82%	0.817	59%	0.591	S	S	*	*			trans	-46.2	84.3	167.6	-118.8	175.5	-177.2	174.9	0	111.1	K416	K416-K418 PolarHBondContact O-N 3.37Å
419	S	26.3	Very low	46.5	Very low	101 Å²	101	117.2 Å²	117.2	71%	0.706	59%	0.592	S	S	*	*			trans	-56.2	88	151.3	64.4	0	0	0	0	111.3	Q417	Q417-S419 VanDerWaalsContact C-N 3.26Å; Q417-S419 PolarHBondContact O-N 3.43Å; Q417-S419 VanDerWaalsContact O-N 3.11Å
420	H	30.1	Very low	46.8	Very low	189 Å²	189	117.1 Å²	117.1	88%	0.875	60%	0.595	S	S	*	*			trans	-124.1	0	137.6	-83.9	-83.8	0	0	0	109.7
421	S	25.8	Very low	47.1	Very low	114 Å²	114	118.9 Å²	118.9	80%	0.797	60%	0.601	S	S	*	*				0	0	0	-178.3	0	0	0	0	111.5
422	L	32.2	Very low	47.8	Very low	163 Å²	163	122.3 Å²	122.3	85%	0.853	62%	0.616	S	S	*	*	S	Bend		0	0	0	-73.1	172.9	0	0	0	109.3
423	L	35.4	Very low	48.8	Very low	178 Å²	178	122.3 Å²	122.3	93%	0.932	62%	0.621	S	S	*	*				0	65.8	0	-71.4	159.3	0	0	0	108.9	R425	L423-R425 PolarHBondContact O-N 3.38Å
424	N	28.9	Very low	50.1	Low	159 Å²	159	120.8 Å²	120.8	85%	0.85	61%	0.607	S	S	*	*			trans	-20	76.2	145.5	-148.4	19.7	0	0	0	112.1
425	R	35.7	Very low	51.9	Low	249 Å²	249	117 Å²	117	94%	0.94	59%	0.593	S	S	*	*			trans	-133.7	56.5	146.1	-97	-171.2	-144.3	-169.7	0.5	109.4	L423	L423-R425 PolarHBondContact O-N 3.38Å
426	K	43.8	Very low	54.2	Low	151 Å²	151	112.9 Å²	112.9	66%	0.657	56%	0.564	S	S	*	*			trans	-78.2	0	169.7	-77.1	-177.9	179.5	171.9	0	110.5
427	S	53.8	Low	56.8	Low	54 Å²	54	106 Å²	106	38%	0.378	53%	0.534	S	S	.	.				0	46.2	0	80	0	0	0	0	110.6
428	K	63.5	Low	59.1	Low	166 Å²	166	103.1 Å²	103.1	72%	0.722	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	108.3	164.2	-120.4	177.5	-179	177.5	0	111
429	W	76.7	Confident	61.4	Low	54 Å²	54	98.7 Å²	98.7	21%	0.205	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	116.9	176.1	178.3	69.8	0	0	0	109.7	H431 F436 F462 I471 K476 I479	W429-H431 HydrophobicContact CD2-CB 4.18Å; W429-H431 HydrophobicContact CE3-CB 4.27Å; W429-H431 HydrophobicContact CH2-CB 3.13Å; W429-H431 AromaticContact CH2-CD2 3.99Å; W429-H431 AromaticContact CH2-CG 3.61Å; W429-H431 HydrophobicContact CZ2-CB 3.07Å; W429-H431 AromaticContact CZ2-CG 3.45Å; W429-H431 VanDerWaalsContact CZ2-CG 3.45Å; W429-H431 AromaticContact CZ2-ND1 3.9Å; W429-H431 HydrophobicContact CZ3-CB 3.77Å; W429-F436 HydrophobicContact CB-CB 4.46Å; W429-F436 HydrophobicContact CD2-CD2 4.26Å; W429-F436 HydrophobicContact CE3-CB 3.62Å; W429-F436 AromaticContact CE3-CD2 3.1Å; W429-F436 HydrophobicContact CE3-CD2 3.1Å; W429-F436 AromaticContact CE3-CE2 3.97Å; W429-F436 HydrophobicContact CE3-CE2 3.97Å; W429-F436 AromaticContact CE3-CG 3.64Å; W429-F436 HydrophobicContact CE3-CG 3.64Å; W429-F436 HydrophobicContact CH2-CD2 4.22Å; W429-F436 HydrophobicContact CH2-CE2 4.28Å; W429-F436 HydrophobicContact CZ3-CB 4.33Å; W429-F436 AromaticContact CZ3-CD2 3.06Å; W429-F436 HydrophobicContact CZ3-CD2 3.06Å; W429-F436 AromaticContact CZ3-CE2 3.42Å; W429-F436 HydrophobicContact CZ3-CE2 3.42Å; W429-F436 VanDerWaalsContact CZ3-CE2 3.42Å; W429-F436 AromaticContact CZ3-CG 3.85Å; W429-F436 HydrophobicContact CZ3-CG 3.85Å; W429-F436 HydrophobicContact CZ3-CZ 4.41Å; W429-F436 PolarHBondContact N-O 3.04Å; W429-F436 VanDerWaalsContact N-O 3.08Å; W429-F436 WeakPolarHBondContact O-CA 3.29Å; W429-F436 VanDerWaalsContact O-CB 3.26Å; W429-F436 WeakPolarHBondContact O-CB 2.22Å; W429-F436 PolarHBondContact O-N 3.18Å; W429-F462 HydrophobicContact CB-CE1 4.46Å; W429-I471 HydrophobicContact CH2-CD1 4.36Å; W429-I471 HydrophobicContact CZ3-CD1 3.63Å; W429-K476 HydrophobicContact CD2-CB 4.46Å; W429-K476 HydrophobicContact CE3-CB 4.17Å; W429-K476 HydrophobicContact CH2-CB 3.34Å; W429-K476 HydrophobicContact CH2-CG 4.22Å; W429-K476 WeakPolarHBondContact CH2-O 2.14Å; W429-K476 HydrophobicContact CZ2-CB 3.68Å; W429-K476 HydrophobicContact CZ2-CD 4.36Å; W429-K476 HydrophobicContact CZ2-CG 4.08Å; W429-K476 WeakPolarHBondContact CZ2-O 3.32Å; W429-K476 HydrophobicContact CZ3-CB 3.61Å; W429-I479 HydrophobicContact CH2-CD1 3.6Å; W429-I479 HydrophobicContact CZ3-CD1 3.61Å
430	S	81.2	Confident	63.7	Low	83 Å²	83	96.5 Å²	96.5	58%	0.58	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	123.5	176.5	177.4	0	0	0	0	109.9	H434	S430-H434 CarbonylContact C-O 3.4Å; S430-H434 WeakPolarHBondContact CA-O 2.85Å; S430-H434 WeakPolarHBondContact CB-O 2.84Å; S430-H434 PolarHBondContact OG-O 3.3Å; S430-H434 VanDerWaalsContact OG-O 3.09Å
431	H	82	Confident	65.6	Low	52 Å²	52	87.6 Å²	87.6	24%	0.241	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	0	175.5	-174	70.1	0	0	0	109.5	W429 G433 H434	W429-H431 HydrophobicContact CD2-CB 4.18Å; W429-H431 HydrophobicContact CE3-CB 4.27Å; W429-H431 HydrophobicContact CH2-CB 3.13Å; W429-H431 AromaticContact CH2-CD2 3.99Å; W429-H431 AromaticContact CH2-CG 3.61Å; W429-H431 HydrophobicContact CZ2-CB 3.07Å; W429-H431 AromaticContact CZ2-CG 3.45Å; W429-H431 VanDerWaalsContact CZ2-CG 3.45Å; W429-H431 AromaticContact CZ2-ND1 3.9Å; W429-H431 HydrophobicContact CZ3-CB 3.77Å; H431-G433 VanDerWaalsContact C-N 3.25Å; H431-G433 PolarHBondContact O-N 2.99Å; H431-H434 PolarHBondContact N-O 3.11Å; H431-H434 VanDerWaalsContact N-O 3.08Å; H431-H434 WeakPolarHBondContact O-CB 3.49Å; H431-H434 PolarHBondContact O-N 3.47Å
432	K	81.7	Confident	67.5	Low	76 Å²	76	89.4 Å²	89.4	33%	0.33	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn		0	37.1	0	-68	-169.2	175	-179.2	0	111.4	I479 R480 H482 C483	K432-I479 HydrophobicContact CD-CG2 4.44Å; K432-I479 WeakPolarHBondContact CD-O 3.45Å; K432-I479 WeakPolarHBondContact CE-O 2.55Å; K432-I479 PolarHBondContact NZ-O 3.1Å; K432-R480 PolarHBondContact NZ-O 3.49Å; K432-R480 VanDerWaalsContact NZ-O 3.13Å; K432-H482 CarbonylContact O-C 3.14Å; K432-H482 WeakPolarHBondContact O-CA 3.21Å; K432-H482 PolarHBondContact O-ND1 2.47Å; K432-C483 PolarHBondContact O-N 1.84Å
433	G	82.6	Confident	69.3	Low	25 Å²	25	89.5 Å²	89.5	26%	0.258	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.1	-6.1	173.3	0	0	0	0	0	111.1	H431 C483	H431-G433 VanDerWaalsContact C-N 3.25Å; H431-G433 PolarHBondContact O-N 2.99Å; G433-C483 WeakPolarHBondContact O-CB 3.23Å; G433-C483 PolarHBondContact O-SG 3.49Å
434	H	87.4	Confident	71.1	Confident	7 Å²	7	84.4 Å²	84.4	3%	0.032	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	130.4	175.1	-69.7	-80.5	0	0	0	110.7	S430 H431 F436 C464 C467 C483	S430-H434 CarbonylContact C-O 3.4Å; S430-H434 WeakPolarHBondContact CA-O 2.85Å; S430-H434 WeakPolarHBondContact CB-O 2.84Å; S430-H434 PolarHBondContact OG-O 3.3Å; S430-H434 VanDerWaalsContact OG-O 3.09Å; H431-H434 PolarHBondContact N-O 3.11Å; H431-H434 VanDerWaalsContact N-O 3.08Å; H431-H434 WeakPolarHBondContact O-CB 3.49Å; H431-H434 PolarHBondContact O-N 3.47Å; H434-F436 HydrophobicContact CB-CD2 3.68Å; H434-F436 HydrophobicContact CB-CE1 4.16Å; H434-F436 HydrophobicContact CB-CE2 3.05Å; H434-F436 HydrophobicContact CB-CG 4.43Å; H434-F436 HydrophobicContact CB-CZ 3.34Å; H434-F436 AromaticContact CG-CE2 3.83Å; H434-F436 AromaticContact CG-CZ 3.68Å; H434-C464 VanDerWaalsContact CA-SG 3.57Å; H434-C464 HydrophobicContact CB-CB 4.2Å; H434-C464 WeakPolarHBondContact CB-SG 3.41Å; H434-C464 PolarHBondContact ND1-SG 3.43Å; H434-C467 PolarHBondContact CE1-SG 3.47Å; H434-C467 PolarHBondContact ND1-SG 3.08Å; H434-C483 HydrophobicContact CB-CB 4.26Å; H434-C483 PolarHBondContact CD2-N 3.46Å; H434-C483 WeakPolarHBondContact CE1-CA 2.93Å; H434-C483 VanDerWaalsContact N-CB 3.34Å; H434-C483 WeakPolarHBondContact NE2-CA 3.37Å; H434-C483 PolarHBondContact NE2-N 2.23Å; H434-C483 VanDerWaalsContact NE2-N 3.18Å
435	S	88.4	Confident	73.5	Confident	22 Å²	22	77.1 Å²	77.1	15%	0.154	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	93.3	174.4	-174.3	0	0	0	0	109.8	C464 N465	S435-C464 CarbonylContact O-C 3.58Å; S435-C464 WeakPolarHBondContact O-CA 3.35Å; S435-N465 PolarHBondContact O-N 3.37Å
436	F	88.5	Confident	75.8	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	140.5	-173.6	-72.6	-72.2	0	0	0	110.7	W429 H434 F462 N463 C464 L469 I471 I479	W429-F436 HydrophobicContact CB-CB 4.46Å; W429-F436 HydrophobicContact CD2-CD2 4.26Å; W429-F436 HydrophobicContact CE3-CB 3.62Å; W429-F436 AromaticContact CE3-CD2 3.1Å; W429-F436 HydrophobicContact CE3-CD2 3.1Å; W429-F436 AromaticContact CE3-CE2 3.97Å; W429-F436 HydrophobicContact CE3-CE2 3.97Å; W429-F436 AromaticContact CE3-CG 3.64Å; W429-F436 HydrophobicContact CE3-CG 3.64Å; W429-F436 HydrophobicContact CH2-CD2 4.22Å; W429-F436 HydrophobicContact CH2-CE2 4.28Å; W429-F436 HydrophobicContact CZ3-CB 4.33Å; W429-F436 AromaticContact CZ3-CD2 3.06Å; W429-F436 HydrophobicContact CZ3-CD2 3.06Å; W429-F436 AromaticContact CZ3-CE2 3.42Å; W429-F436 HydrophobicContact CZ3-CE2 3.42Å; W429-F436 VanDerWaalsContact CZ3-CE2 3.42Å; W429-F436 AromaticContact CZ3-CG 3.85Å; W429-F436 HydrophobicContact CZ3-CG 3.85Å; W429-F436 HydrophobicContact CZ3-CZ 4.41Å; W429-F436 PolarHBondContact N-O 3.04Å; W429-F436 VanDerWaalsContact N-O 3.08Å; W429-F436 WeakPolarHBondContact O-CA 3.29Å; W429-F436 VanDerWaalsContact O-CB 3.26Å; W429-F436 WeakPolarHBondContact O-CB 2.22Å; W429-F436 PolarHBondContact O-N 3.18Å; H434-F436 HydrophobicContact CB-CD2 3.68Å; H434-F436 HydrophobicContact CB-CE1 4.16Å; H434-F436 HydrophobicContact CB-CE2 3.05Å; H434-F436 HydrophobicContact CB-CG 4.43Å; H434-F436 HydrophobicContact CB-CZ 3.34Å; H434-F436 AromaticContact CG-CE2 3.83Å; H434-F436 AromaticContact CG-CZ 3.68Å; F436-F462 HydrophobicContact CB-CB 3.61Å; F436-F462 HydrophobicContact CB-CD1 3.88Å; F436-F462 HydrophobicContact CB-CG 3.96Å; F436-F462 HydrophobicContact CD1-CB 3.67Å; F436-F462 HydrophobicContact CG-CB 3.87Å; F436-N463 WeakPolarHBondContact CA-O 3.24Å; F436-C464 HydrophobicContact CD1-CB 3.7Å; F436-C464 HydrophobicContact CE1-CB 3.47Å; F436-C464 VanDerWaalsContact CE1-CB 3.47Å; F436-C464 HydrophobicContact CZ-CB 4.14Å; F436-L469 HydrophobicContact CE1-CB 4.19Å; F436-L469 HydrophobicContact CE1-CD2 4.19Å; F436-L469 HydrophobicContact CE1-CG 4.32Å; F436-L469 WeakPolarHBondContact CE1-O 3.36Å; F436-L469 HydrophobicContact CZ-CD2 3.77Å; F436-L469 HydrophobicContact CZ-CG 4.4Å; F436-I471 HydrophobicContact CD1-CD1 4.11Å; F436-I471 HydrophobicContact CD1-CG1 4.21Å; F436-I471 HydrophobicContact CD2-CD1 4.33Å; F436-I471 HydrophobicContact CE1-CD1 3.82Å; F436-I471 HydrophobicContact CE1-CG1 3.95Å; F436-I471 HydrophobicContact CE2-CD1 4.06Å; F436-I471 HydrophobicContact CG-CD1 4.35Å; F436-I471 HydrophobicContact CZ-CD1 3.8Å; F436-I471 HydrophobicContact CZ-CG1 4.39Å; F436-I479 HydrophobicContact CD2-CD1 4.14Å; F436-I479 HydrophobicContact CE1-CD1 4.35Å; F436-I479 HydrophobicContact CE2-CD1 3.09Å; F436-I479 HydrophobicContact CZ-CD1 3.24Å; F436-I479 HydrophobicContact CZ-CG1 4.45Å
437	Y	86	Confident	77.9	Confident	51 Å²	51	61.8 Å²	61.8	20%	0.2	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.2	172.2	38.2	-92.7	0	0	0	109	Y439 F462 N463 C464 N465	Y437-Y439 AromaticContact CD2-CD2 4Å; Y437-Y439 HydrophobicContact CD2-CD2 4Å; Y437-Y439 AromaticContact CE2-CD2 3.61Å; Y437-Y439 HydrophobicContact CE2-CD2 3.61Å; Y437-Y439 HydrophobicContact CE2-CE2 4.35Å; Y437-Y439 HydrophobicContact CE2-CG 4.23Å; Y437-Y439 PolarHBondContact O-N 3.03Å; Y437-Y439 VanDerWaalsContact O-N 3.08Å; Y437-F462 WeakPolarHBondContact O-CA 3.35Å; Y437-N463 WeakPolarHBondContact CD1-O 3.39Å; Y437-N463 HydrophobicContact CD2-CB 3.93Å; Y437-N463 WeakPolarHBondContact CD2-O 3.33Å; Y437-N463 WeakPolarHBondContact CE1-O 3.39Å; Y437-N463 HydrophobicContact CE2-CB 3.32Å; Y437-N463 WeakPolarHBondContact CE2-O 3.37Å; Y437-N463 VanDerWaalsContact CG-O 3.31Å; Y437-N463 VanDerWaalsContact CZ-O 3.24Å; Y437-N463 PolarHBondContact N-O 3.3Å; Y437-N463 PolarHBondContact O-N 3.44Å; Y437-N463 PolarHBondContact OH-ND2 3.41Å; Y437-N463 PolarHBondContact OH-OD1 2.78Å; Y437-C464 PolarHBondContact OH-O 3.28Å; Y437-N465 HydrophobicContact CD1-CB 3.73Å; Y437-N465 WeakPolarHBondContact CD1-ND2 2.32Å; Y437-N465 WeakPolarHBondContact CD1-OD1 2.13Å; Y437-N465 HydrophobicContact CE1-CB 3.08Å; Y437-N465 WeakPolarHBondContact CE1-ND2 2.74Å; Y437-N465 CovalentContact CE1-OD1 1.19Å; Y437-N465 WeakPolarHBondContact CE1-OD1 2.8Å; Y437-N465 WeakPolarHBondContact CE2-OD1 3.12Å; Y437-N465 PolarHBondContact OH-OD1 2.9Å
438	E	84.2	Confident	79.4	Confident	83 Å²	83	61.6 Å²	61.6	39%	0.388	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	123.4	173.9	-157.6	171.5	-177.6	0	0	111.2	S459	E438-S459 WeakPolarHBondContact CG-OG 3.44Å; E438-S459 WeakPolarHBondContact OE1-CB 2.89Å; E438-S459 CovalentContact OE1-OG 1.42Å; E438-S459 PolarHBondContact OE1-OG 2.61Å
439	Y	76.1	Confident	80.5	Confident	95 Å²	95	56.3 Å²	56.3	37%	0.373	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.3	-172.1	-168.4	-103.1	0	0	0	109.1	Y437 Y441 G461 N463	Y437-Y439 AromaticContact CD2-CD2 4Å; Y437-Y439 HydrophobicContact CD2-CD2 4Å; Y437-Y439 AromaticContact CE2-CD2 3.61Å; Y437-Y439 HydrophobicContact CE2-CD2 3.61Å; Y437-Y439 HydrophobicContact CE2-CE2 4.35Å; Y437-Y439 HydrophobicContact CE2-CG 4.23Å; Y437-Y439 PolarHBondContact O-N 3.03Å; Y437-Y439 VanDerWaalsContact O-N 3.08Å; Y439-Y441 AromaticContact CD1-CD1 3.77Å; Y439-Y441 HydrophobicContact CD1-CD1 3.77Å; Y439-Y441 HydrophobicContact CD1-CD2 4.37Å; Y439-Y441 AromaticContact CD1-CE1 3.91Å; Y439-Y441 HydrophobicContact CD1-CE1 3.91Å; Y439-Y441 HydrophobicContact CD1-CE2 4.48Å; Y439-Y441 HydrophobicContact CD1-CG 4.02Å; Y439-Y441 HydrophobicContact CE1-CD1 4.15Å; Y439-G461 PolarHBondContact N-O 3.42Å; Y439-N463 HydrophobicContact CD1-CB 4.38Å; Y439-N463 HydrophobicContact CD2-CB 4.31Å; Y439-N463 HydrophobicContact CG-CB 3.85Å
440	T	73.6	Confident	80.8	Confident	55 Å²	55	55.8 Å²	55.8	34%	0.337	30%	0.296	S	S	.	.			trans	-91.3	116.5	170.8	-54.3	0	0	0	0	109.8
441	Y	69.3	Low	80.9	Confident	3 Å²	3	53.3 Å²	53.3	1%	0.012	28%	0.284	C	S	.	.			trans	-85.8	127.6	-170.4	-68.7	-88.3	0	0	0	109.8	Y439 R443 A445 L454 Q460 F462 F470	Y439-Y441 AromaticContact CD1-CD1 3.77Å; Y439-Y441 HydrophobicContact CD1-CD1 3.77Å; Y439-Y441 HydrophobicContact CD1-CD2 4.37Å; Y439-Y441 AromaticContact CD1-CE1 3.91Å; Y439-Y441 HydrophobicContact CD1-CE1 3.91Å; Y439-Y441 HydrophobicContact CD1-CE2 4.48Å; Y439-Y441 HydrophobicContact CD1-CG 4.02Å; Y439-Y441 HydrophobicContact CE1-CD1 4.15Å; Y441-R443 VanDerWaalsContact C-N 3.31Å; Y441-A445 HydrophobicContact CD1-CB 3.67Å; Y441-A445 HydrophobicContact CE1-CB 3.88Å; Y441-A445 HydrophobicContact CG-CB 4.34Å; Y441-L454 HydrophobicContact CD2-CB 4.4Å; Y441-L454 HydrophobicContact CE1-CD1 4.29Å; Y441-L454 HydrophobicContact CE2-CB 4.42Å; Y441-L454 HydrophobicContact CE2-CD1 4.05Å; Y441-L454 HydrophobicContact CE2-CD2 4.09Å; Y441-L454 HydrophobicContact CE2-CG 4.43Å; Y441-Q460 HydrophobicContact CD2-CB 3.4Å; Y441-Q460 HydrophobicContact CD2-CG 4.42Å; Y441-Q460 HydrophobicContact CE2-CB 4.01Å; Y441-Q460 HydrophobicContact CG-CB 4.47Å; Y441-Q460 PolarHBondContact O-OE1 2.91Å; Y441-F462 PolarHBondContact OH-O 2.9Å; Y441-F470 HydrophobicContact CD1-CD1 4.14Å; Y441-F470 HydrophobicContact CD1-CE1 4.45Å; Y441-F470 HydrophobicContact CE1-CB 3.76Å; Y441-F470 AromaticContact CE1-CD1 3Å; Y441-F470 HydrophobicContact CE1-CD1 3Å; Y441-F470 HydrophobicContact CE1-CD2 4.42Å; Y441-F470 AromaticContact CE1-CE1 3.63Å; Y441-F470 HydrophobicContact CE1-CE1 3.63Å; Y441-F470 AromaticContact CE1-CG 3.49Å; Y441-F470 HydrophobicContact CE1-CG 3.49Å; Y441-F470 VanDerWaalsContact CE1-CG 3.49Å; Y441-F470 AromaticContact CZ-CD1 3.61Å; Y441-F470 WeakPolarHBondContact OH-CA 3.11Å; Y441-F470 WeakPolarHBondContact OH-CB 3.26Å; Y441-F470 VanDerWaalsContact OH-CD1 3.3Å; Y441-F470 WeakPolarHBondContact OH-CD1 3.47Å
442	E	65.7	Low	80.6	Confident	152 Å²	152	53.1 Å²	53.1	71%	0.71	28%	0.283	S	S	*	.	S	Bend	trans	-100.6	1.1	179.6	-65.7	178.2	179.6	0	0	110
443	R	71	Confident	80.4	Confident	164 Å²	164	49.7 Å²	49.7	62%	0.619	27%	0.268	S	S	*	.	S	Bend	trans	-137.3	159.6	175.9	54.1	-175.1	-171.8	170.5	-0.8	109.2	Y441 A445	Y441-R443 VanDerWaalsContact C-N 3.31Å; R443-A445 PolarHBondContact O-N 3.35Å
444	I	74.1	Confident	80.1	Confident	71 Å²	71	48.7 Å²	48.7	36%	0.364	26%	0.256	S	S	.	.			trans	-65.5	124.6	-179.6	-63.6	172.8	0	0	0	109.3	L204 F207 T208 L453	L204-I444 HydrophobicContact CD1-CG1 3.98Å; F207-I444 HydrophobicContact CD1-CD1 3.92Å; F207-I444 HydrophobicContact CE1-CD1 3.23Å; F207-I444 HydrophobicContact CE1-CG1 4.29Å; F207-I444 HydrophobicContact CZ-CD1 4.17Å; T208-I444 HydrophobicContact CG2-CG1 4.48Å; I444-L453 HydrophobicContact CB-CD1 4.31Å; I444-L453 HydrophobicContact CG2-CD1 3Å; I444-L453 HydrophobicContact CG2-CG 4.45Å
445	A	78	Confident	79.2	Confident	7 Å²	7	49.5 Å²	49.5	6%	0.058	26%	0.259	C	S	.	.			trans	-133.5	137.8	179.1	0	0	0	0	0	109.4	Y441 R443 L454 F470	Y441-A445 HydrophobicContact CD1-CB 3.67Å; Y441-A445 HydrophobicContact CE1-CB 3.88Å; Y441-A445 HydrophobicContact CG-CB 4.34Å; R443-A445 PolarHBondContact O-N 3.35Å; A445-L454 HydrophobicContact CB-CD1 3.82Å; A445-L454 WeakPolarHBondContact O-CB 3.48Å; A445-L454 PolarHBondContact O-N 2.63Å; A445-F470 HydrophobicContact CB-CB 4.34Å; A445-F470 HydrophobicContact CB-CD2 4.04Å; A445-F470 HydrophobicContact CB-CG 4.2Å
446	D	84.5	Confident	77.7	Confident	73 Å²	73	49 Å²	49	39%	0.39	26%	0.257	S	S	.	.	B	Isolated β-bridge	trans	-98.1	144.5	176.7	-65.5	-24.6	0	0	0	110.3	G448 F452	D446-G448 PolarHBondContact O-N 3.3Å; D446-F452 CarbonylContact C-O 3.59Å; D446-F452 WeakPolarHBondContact CA-O 3.1Å
447	C	87.3	Confident	76	Confident	4 Å²	4	50.1 Å²	50.1	3%	0.027	26%	0.263	C	S	.	.			trans	-67	131.6	179.1	178.2	0	0	0	0	110	V449 C450 G451 F452 F470 I471 H472 C475	C447-V449 PolarHBondContact O-N 2.69Å; C447-V449 PolarHBondContact SG-N 2.86Å; C447-C450 WeakPolarHBondContact CB-SG 3.27Å; C447-C450 PolarHBondContact SG-N 2.86Å; C447-G451 WeakPolarHBondContact O-CA 3.45Å; C447-G451 PolarHBondContact O-N 3.13Å; C447-F452 WeakPolarHBondContact CB-O 3.37Å; C447-F452 PolarHBondContact N-O 3.47Å; C447-F470 CarbonylContact C-O 3.52Å; C447-F470 VanDerWaalsContact CA-O 3.24Å; C447-F470 WeakPolarHBondContact CA-O 3.48Å; C447-I471 VanDerWaalsContact SG-CA 3.54Å; C447-H472 VanDerWaalsContact CB-ND1 3.27Å; C447-H472 WeakPolarHBondContact CB-ND1 2.87Å; C447-H472 PolarHBondContact SG-N 3.42Å; C447-H472 VanDerWaalsContact SG-N 3.41Å; C447-C475 WeakPolarHBondContact SG-CB 3.25Å; C447-C475 PolarHBondContact SG-SG 3.45Å
448	G	85.9	Confident	74.6	Confident	51 Å²	51	50.6 Å²	50.6	53%	0.526	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-11.4	179.2	0	0	0	0	0	111.5	D446 F470	D446-G448 PolarHBondContact O-N 3.3Å; G448-F470 PolarHBondContact N-O 2.83Å
449	V	86.2	Confident	73.4	Confident	54 Å²	54	48.2 Å²	48.2	33%	0.327	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-52.4	-176.4	177.3	0	0	0	0	108.5	C447 I471 C475 G478 I479	C447-V449 PolarHBondContact O-N 2.69Å; C447-V449 PolarHBondContact SG-N 2.86Å; V449-I471 HydrophobicContact CG2-CB 4.43Å; V449-I471 HydrophobicContact CG2-CG2 3.73Å; V449-C475 HydrophobicContact CB-CB 3.66Å; V449-C475 HydrophobicContact CG1-CB 4.09Å; V449-C475 HydrophobicContact CG2-CB 4Å; V449-C475 WeakPolarHBondContact CG2-O 3.45Å; V449-G478 WeakPolarHBondContact CG1-O 3.31Å; V449-I479 HydrophobicContact CG2-CG1 3.75Å
450	C	83.7	Confident	72.9	Confident	43 Å²	43	44.6 Å²	44.6	29%	0.291	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	0	-174.3	64	0	0	0	0	110.2	C447 F452 H472	C447-C450 WeakPolarHBondContact CB-SG 3.27Å; C447-C450 PolarHBondContact SG-N 2.86Å; C450-F452 HydrophobicContact CB-CD2 3.38Å; C450-F452 HydrophobicContact CB-CE2 3.94Å; C450-F452 HydrophobicContact CB-CG 4.37Å; C450-F452 PolarHBondContact O-N 2.54Å; C450-F452 VanDerWaalsContact SG-CB 3.52Å; C450-F452 WeakPolarHBondContact SG-CD2 3.34Å; C450-F452 PolarHBondContact SG-N 2.73Å; C450-H472 PolarHBondContact SG-CE1 2.9Å; C450-H472 PolarHBondContact SG-ND1 3.05Å
451	G	81.8	Confident	73	Confident	32 Å²	32	42 Å²	42	33%	0.33	24%	0.237	S	C	.	.				0	0	0	0	0	0	0	0	111.6	C447	C447-G451 WeakPolarHBondContact O-CA 3.45Å; C447-G451 PolarHBondContact O-N 3.13Å
452	F	76.8	Confident	73.9	Confident	48 Å²	48	42.4 Å²	42.4	21%	0.211	24%	0.239	C	C	.	.				0	160.8	0	-66.6	-67.5	0	0	0	110.9	S326 D446 C447 C450 L454 H472	S326-F452 VanDerWaalsContact C-CZ 3.46Å; S326-F452 WeakPolarHBondContact O-CD1 3.28Å; S326-F452 WeakPolarHBondContact O-CE1 3.31Å; S326-F452 WeakPolarHBondContact O-CE2 3.37Å; S326-F452 WeakPolarHBondContact O-CG 3.19Å; S326-F452 WeakPolarHBondContact O-CZ 3.05Å; S326-F452 WeakPolarHBondContact OG-CD1 3.42Å; S326-F452 WeakPolarHBondContact OG-CE1 3.3Å; D446-F452 CarbonylContact C-O 3.59Å; D446-F452 WeakPolarHBondContact CA-O 3.1Å; C447-F452 WeakPolarHBondContact CB-O 3.37Å; C447-F452 PolarHBondContact N-O 3.47Å; C450-F452 HydrophobicContact CB-CD2 3.38Å; C450-F452 HydrophobicContact CB-CE2 3.94Å; C450-F452 HydrophobicContact CB-CG 4.37Å; C450-F452 PolarHBondContact O-N 2.54Å; C450-F452 VanDerWaalsContact SG-CB 3.52Å; C450-F452 WeakPolarHBondContact SG-CD2 3.34Å; C450-F452 PolarHBondContact SG-N 2.73Å; F452-L454 PolarHBondContact O-N 3.04Å; F452-H472 PolarHBondContact O-CE1 3.48Å
453	L	77.9	Confident	74.9	Confident	3 Å²	3	35.6 Å²	35.6	2%	0.016	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-68.2	125.2	-174.3	-177.8	73.3	0	0	0	110.5	T208 H212 K214 I444 W455 H472	T208-L453 HydrophobicContact CG2-CD2 4.01Å; H212-L453 HydrophobicContact CB-CD2 4.16Å; K214-L453 HydrophobicContact CB-CB 4.34Å; I444-L453 HydrophobicContact CB-CD1 4.31Å; I444-L453 HydrophobicContact CG2-CD1 3Å; I444-L453 HydrophobicContact CG2-CG 4.45Å; L453-W455 HydrophobicContact CD2-CB 4.41Å; L453-W455 PolarHBondContact O-N 2.8Å; L453-H472 PolarHBondContact O-NE2 3.08Å
454	L	76.1	Confident	75.9	Confident	4 Å²	4	27.8 Å²	27.8	2%	0.021	18%	0.178	C	C	.	.			trans	-71.6	0	171.1	-74.5	143	0	0	0	110.4	Y441 A445 F452 Q460 F470 I471 H472	Y441-L454 HydrophobicContact CD2-CB 4.4Å; Y441-L454 HydrophobicContact CE1-CD1 4.29Å; Y441-L454 HydrophobicContact CE2-CB 4.42Å; Y441-L454 HydrophobicContact CE2-CD1 4.05Å; Y441-L454 HydrophobicContact CE2-CD2 4.09Å; Y441-L454 HydrophobicContact CE2-CG 4.43Å; A445-L454 HydrophobicContact CB-CD1 3.82Å; A445-L454 WeakPolarHBondContact O-CB 3.48Å; A445-L454 PolarHBondContact O-N 2.63Å; F452-L454 PolarHBondContact O-N 3.04Å; L454-Q460 WeakPolarHBondContact CD2-O 3.37Å; L454-F470 HydrophobicContact CD1-CB 3.48Å; L454-F470 VanDerWaalsContact CD1-CB 3.48Å; L454-I471 WeakPolarHBondContact CD2-O 3.27Å; L454-H472 WeakPolarHBondContact CA-NE2 3.32Å; L454-H472 HydrophobicContact CD2-CB 4.35Å; L454-H472 WeakPolarHBondContact CD2-CD2 3.49Å
455	W	68.2	Low	76.6	Confident	25 Å²	25	28.2 Å²	28.2	10%	0.095	18%	0.181	C	C	.	.				0	143.1	0	58	-82.7	0	0	0	109.4	P216 Q331 Q334 A335 L453	P216-W455 HydrophobicContact CB-CZ2 4.3Å; P216-W455 HydrophobicContact CG-CD2 4.18Å; P216-W455 HydrophobicContact CG-CE3 4.25Å; P216-W455 HydrophobicContact CG-CH2 4.17Å; P216-W455 HydrophobicContact CG-CZ2 4.1Å; P216-W455 HydrophobicContact CG-CZ3 4.24Å; Q331-W455 HydrophobicContact CB-CH2 3.88Å; Q331-W455 HydrophobicContact CB-CZ2 2.81Å; Q331-W455 HydrophobicContact CG-CH2 4.46Å; Q331-W455 HydrophobicContact CG-CZ2 3.23Å; Q331-W455 VanDerWaalsContact CG-NE1 3.29Å; Q331-W455 WeakPolarHBondContact O-CH2 3.18Å; Q331-W455 WeakPolarHBondContact O-CZ2 2.91Å; Q334-W455 HydrophobicContact CB-CH2 4.05Å; Q334-W455 HydrophobicContact CG-CH2 4.47Å; A335-W455 HydrophobicContact CB-CH2 4.01Å; A335-W455 HydrophobicContact CB-CZ3 4.11Å; L453-W455 HydrophobicContact CD2-CB 4.41Å; L453-W455 PolarHBondContact O-N 2.8Å
456	G	56.6	Low	77	Confident	11 Å²	11	31 Å²	31	11%	0.113	20%	0.195	C	C	.	.			trans	150.7	0	169.4	0	0	0	0	0	110.5	S458 Q460	G456-S458 VanDerWaalsContact C-N 3.33Å; G456-S458 PolarHBondContact O-N 2.91Å; G456-Q460 WeakPolarHBondContact O-CG 3.23Å; G456-Q460 PolarHBondContact O-NE2 2.67Å
457	L	53.1	Low	77.1	Confident	23 Å²	23	29.8 Å²	29.8	12%	0.12	19%	0.192	C	C	.	.	S	Bend		0	0	0	-70.3	166.1	0	0	0	111	R201 E205 T338 Y411	R201-L457 PolarHBondContact NH2-O 2.44Å; E205-L457 WeakPolarHBondContact OE2-CD2 3.4Å; T338-L457 VanDerWaalsContact CB-CD1 3.46Å; T338-L457 HydrophobicContact CG2-CD1 2.7Å; T338-L457 HydrophobicContact CG2-CD2 4.18Å; T338-L457 HydrophobicContact CG2-CG 3.98Å; T338-L457 WeakPolarHBondContact OG1-CD1 3.2Å; Y411-L457 HydrophobicContact CD1-CD2 4.02Å; Y411-L457 HydrophobicContact CE1-CD2 4.36Å; Y411-L457 HydrophobicContact CG-CD2 4.25Å
458	S	57.2	Low	77.1	Confident	61 Å²	61	34 Å²	34	43%	0.427	21%	0.214	S	C	.	.	S	Bend		0	158.7	0	61.3	0	0	0	0	109.4	G456 Q460	G456-S458 VanDerWaalsContact C-N 3.33Å; G456-S458 PolarHBondContact O-N 2.91Å; S458-Q460 WeakPolarHBondContact O-CA 3.47Å; S458-Q460 VanDerWaalsContact O-CG 3.29Å; S458-Q460 WeakPolarHBondContact O-CG 3.37Å; S458-Q460 PolarHBondContact O-N 3.31Å
459	S	57.8	Low	77.2	Confident	34 Å²	34	33.6 Å²	33.6	24%	0.238	20%	0.199	C	C	.	.			trans	-26.3	0	-173.1	54.3	0	0	0	0	111.5	E438 G461	E438-S459 WeakPolarHBondContact CG-OG 3.44Å; E438-S459 WeakPolarHBondContact OE1-CB 2.89Å; E438-S459 CovalentContact OE1-OG 1.42Å; E438-S459 PolarHBondContact OE1-OG 2.61Å; S459-G461 PolarHBondContact O-N 3.31Å; S459-G461 VanDerWaalsContact O-N 3.16Å
460	Q	65.7	Low	77.3	Confident	18 Å²	18	32.6 Å²	32.6	8%	0.084	19%	0.191	C	C	.	.				0	-7	0	-65.9	178.5	0.7	0	0	111.1	Y441 L454 G456 S458	Y441-Q460 HydrophobicContact CD2-CB 3.4Å; Y441-Q460 HydrophobicContact CD2-CG 4.42Å; Y441-Q460 HydrophobicContact CE2-CB 4.01Å; Y441-Q460 HydrophobicContact CG-CB 4.47Å; Y441-Q460 PolarHBondContact O-OE1 2.91Å; L454-Q460 WeakPolarHBondContact CD2-O 3.37Å; G456-Q460 WeakPolarHBondContact O-CG 3.23Å; G456-Q460 PolarHBondContact O-NE2 2.67Å; S458-Q460 WeakPolarHBondContact O-CA 3.47Å; S458-Q460 VanDerWaalsContact O-CG 3.29Å; S458-Q460 WeakPolarHBondContact O-CG 3.37Å; S458-Q460 PolarHBondContact O-N 3.31Å
461	G	77.2	Confident	77.5	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.3	177.8	-177.4	0	0	0	0	0	110.2	Y439 S459 I471	Y439-G461 PolarHBondContact N-O 3.42Å; S459-G461 PolarHBondContact O-N 3.31Å; S459-G461 VanDerWaalsContact O-N 3.16Å; G461-I471 CarbonylContact C-O 3.53Å; G461-I471 WeakPolarHBondContact CA-O 3.49Å
462	F	86.1	Confident	77.6	Confident	13 Å²	13	29.7 Å²	29.7	6%	0.057	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	135.9	-178.5	-73	-74.2	0	0	0	110.3	W429 F436 Y437 Y441 F470 I471 L473 K476	W429-F462 HydrophobicContact CB-CE1 4.46Å; F436-F462 HydrophobicContact CB-CB 3.61Å; F436-F462 HydrophobicContact CB-CD1 3.88Å; F436-F462 HydrophobicContact CB-CG 3.96Å; F436-F462 HydrophobicContact CD1-CB 3.67Å; F436-F462 HydrophobicContact CG-CB 3.87Å; Y437-F462 WeakPolarHBondContact O-CA 3.35Å; Y441-F462 PolarHBondContact OH-O 2.9Å; F462-F470 WeakPolarHBondContact O-CA 3.24Å; F462-I471 HydrophobicContact CB-CD1 4.1Å; F462-I471 HydrophobicContact CB-CG1 3.66Å; F462-I471 HydrophobicContact CD2-CD1 4.47Å; F462-I471 HydrophobicContact CD2-CG1 4.48Å; F462-I471 PolarHBondContact N-O 2.73Å; F462-I471 PolarHBondContact O-N 2.6Å; F462-L473 HydrophobicContact CD2-CD1 3.62Å; F462-L473 HydrophobicContact CE1-CD1 4.01Å; F462-L473 HydrophobicContact CE2-CB 4.27Å; F462-L473 HydrophobicContact CE2-CD1 2.63Å; F462-L473 HydrophobicContact CE2-CG 3.78Å; F462-L473 HydrophobicContact CZ-CD1 2.91Å; F462-L473 HydrophobicContact CZ-CG 4.31Å; F462-K476 HydrophobicContact CE2-CB 4.44Å
463	N	88.4	Confident	77.8	Confident	9 Å²	9	31.7 Å²	31.7	5%	0.048	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.9	170.1	178.4	3.3	0	0	0	110.6	F436 Y437 Y439 N465 D468 F470	F436-N463 WeakPolarHBondContact CA-O 3.24Å; Y437-N463 WeakPolarHBondContact CD1-O 3.39Å; Y437-N463 HydrophobicContact CD2-CB 3.93Å; Y437-N463 WeakPolarHBondContact CD2-O 3.33Å; Y437-N463 WeakPolarHBondContact CE1-O 3.39Å; Y437-N463 HydrophobicContact CE2-CB 3.32Å; Y437-N463 WeakPolarHBondContact CE2-O 3.37Å; Y437-N463 VanDerWaalsContact CG-O 3.31Å; Y437-N463 VanDerWaalsContact CZ-O 3.24Å; Y437-N463 PolarHBondContact N-O 3.3Å; Y437-N463 PolarHBondContact O-N 3.44Å; Y437-N463 PolarHBondContact OH-ND2 3.41Å; Y437-N463 PolarHBondContact OH-OD1 2.78Å; Y439-N463 HydrophobicContact CD1-CB 4.38Å; Y439-N463 HydrophobicContact CD2-CB 4.31Å; Y439-N463 HydrophobicContact CG-CB 3.85Å; N463-N465 PolarHBondContact O-N 3.49Å; N463-D468 VanDerWaalsContact OD1-CA 3.28Å; N463-D468 WeakPolarHBondContact OD1-CA 1.64Å; N463-F470 HydrophobicContact CB-CD1 4.05Å; N463-F470 HydrophobicContact CB-CE1 4.23Å
464	C	90.8	Very high	77.9	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	0	178.2	179.4	0	0	0	0	110.2	H434 S435 F436 Y437 N466 C467 D468 L469	H434-C464 VanDerWaalsContact CA-SG 3.57Å; H434-C464 HydrophobicContact CB-CB 4.2Å; H434-C464 WeakPolarHBondContact CB-SG 3.41Å; H434-C464 PolarHBondContact ND1-SG 3.43Å; S435-C464 CarbonylContact O-C 3.58Å; S435-C464 WeakPolarHBondContact O-CA 3.35Å; F436-C464 HydrophobicContact CD1-CB 3.7Å; F436-C464 HydrophobicContact CE1-CB 3.47Å; F436-C464 VanDerWaalsContact CE1-CB 3.47Å; F436-C464 HydrophobicContact CZ-CB 4.14Å; Y437-C464 PolarHBondContact OH-O 3.28Å; C464-N466 PolarHBondContact O-N 2.99Å; C464-N466 PolarHBondContact SG-N 3.15Å; C464-N466 VanDerWaalsContact SG-N 3.4Å; C464-C467 PolarHBondContact SG-N 2.56Å; C464-C467 PolarHBondContact SG-SG 2.81Å; C464-D468 VanDerWaalsContact O-CA 3.25Å; C464-D468 WeakPolarHBondContact O-CA 3.3Å; C464-D468 PolarHBondContact O-N 3.43Å; C464-L469 HydrophobicContact CB-CB 4.07Å; C464-L469 PolarHBondContact N-O 3.48Å
465	N	88.4	Confident	78.4	Confident	80 Å²	80	37.1 Å²	37.1	43%	0.428	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn		0	-16.7	0	-83.8	-4.7	0	0	0	110.8	S435 Y437 N463	S435-N465 PolarHBondContact O-N 3.37Å; Y437-N465 HydrophobicContact CD1-CB 3.73Å; Y437-N465 WeakPolarHBondContact CD1-ND2 2.32Å; Y437-N465 WeakPolarHBondContact CD1-OD1 2.13Å; Y437-N465 HydrophobicContact CE1-CB 3.08Å; Y437-N465 WeakPolarHBondContact CE1-ND2 2.74Å; Y437-N465 CovalentContact CE1-OD1 1.19Å; Y437-N465 WeakPolarHBondContact CE1-OD1 2.8Å; Y437-N465 WeakPolarHBondContact CE2-OD1 3.12Å; Y437-N465 PolarHBondContact OH-OD1 2.9Å; N463-N465 PolarHBondContact O-N 3.49Å
466	N	86.3	Confident	79.2	Confident	66 Å²	66	39.8 Å²	39.8	35%	0.353	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-44	-173.7	-65.6	29.9	0	0	0	110.3	C464 C483 R485	C464-N466 PolarHBondContact O-N 2.99Å; C464-N466 PolarHBondContact SG-N 3.15Å; C464-N466 VanDerWaalsContact SG-N 3.4Å; N466-C483 WeakPolarHBondContact CB-SG 3.1Å; N466-R485 HydrophobicContact CB-CB 4.32Å
467	C	87.7	Confident	80.5	Confident	47 Å²	47	44.3 Å²	44.3	32%	0.318	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120	4.8	-171.8	61.6	0	0	0	0	109.8	H434 C464 L469	H434-C467 PolarHBondContact CE1-SG 3.47Å; H434-C467 PolarHBondContact ND1-SG 3.08Å; C464-C467 PolarHBondContact SG-N 2.56Å; C464-C467 PolarHBondContact SG-SG 2.81Å; C467-L469 PolarHBondContact O-N 3.46Å; C467-L469 WeakPolarHBondContact SG-CB 3.34Å
468	D	86.1	Confident	82	Confident	91 Å²	91	44.9 Å²	44.9	49%	0.487	25%	0.246	S	C	.	.			trans	58.7	0	178.2	-70.9	-28	0	0	0	110.6	N463 C464 F470	N463-D468 VanDerWaalsContact OD1-CA 3.28Å; N463-D468 WeakPolarHBondContact OD1-CA 1.64Å; C464-D468 VanDerWaalsContact O-CA 3.25Å; C464-D468 WeakPolarHBondContact O-CA 3.3Å; C464-D468 PolarHBondContact O-N 3.43Å; D468-F470 HydrophobicContact CB-CZ 4.31Å; D468-F470 WeakPolarHBondContact O-CE2 3.23Å; D468-F470 WeakPolarHBondContact O-CZ 3.37Å
469	L	89.3	Confident	83.4	Confident	43 Å²	43	42.2 Å²	42.2	23%	0.225	23%	0.228	C	C	.	.				0	128.1	0	179	68.8	0	0	0	111	F436 C464 C467 I471 I479	F436-L469 HydrophobicContact CE1-CB 4.19Å; F436-L469 HydrophobicContact CE1-CD2 4.19Å; F436-L469 HydrophobicContact CE1-CG 4.32Å; F436-L469 WeakPolarHBondContact CE1-O 3.36Å; F436-L469 HydrophobicContact CZ-CD2 3.77Å; F436-L469 HydrophobicContact CZ-CG 4.4Å; C464-L469 HydrophobicContact CB-CB 4.07Å; C464-L469 PolarHBondContact N-O 3.48Å; C467-L469 PolarHBondContact O-N 3.46Å; C467-L469 WeakPolarHBondContact SG-CB 3.34Å; L469-I471 HydrophobicContact CD2-CG2 4.03Å; L469-I471 HydrophobicContact CG-CG2 3.87Å; L469-I479 HydrophobicContact CD2-CG2 4.36Å
470	F	87.7	Confident	84.6	Confident	34 Å²	34	50.9 Å²	50.9	15%	0.149	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	129.8	-178.1	-51.6	-64.2	0	0	0	109.9	Y441 A445 C447 G448 L454 F462 N463 D468	Y441-F470 HydrophobicContact CD1-CD1 4.14Å; Y441-F470 HydrophobicContact CD1-CE1 4.45Å; Y441-F470 HydrophobicContact CE1-CB 3.76Å; Y441-F470 AromaticContact CE1-CD1 3Å; Y441-F470 HydrophobicContact CE1-CD1 3Å; Y441-F470 HydrophobicContact CE1-CD2 4.42Å; Y441-F470 AromaticContact CE1-CE1 3.63Å; Y441-F470 HydrophobicContact CE1-CE1 3.63Å; Y441-F470 AromaticContact CE1-CG 3.49Å; Y441-F470 HydrophobicContact CE1-CG 3.49Å; Y441-F470 VanDerWaalsContact CE1-CG 3.49Å; Y441-F470 AromaticContact CZ-CD1 3.61Å; Y441-F470 WeakPolarHBondContact OH-CA 3.11Å; Y441-F470 WeakPolarHBondContact OH-CB 3.26Å; Y441-F470 VanDerWaalsContact OH-CD1 3.3Å; Y441-F470 WeakPolarHBondContact OH-CD1 3.47Å; A445-F470 HydrophobicContact CB-CB 4.34Å; A445-F470 HydrophobicContact CB-CD2 4.04Å; A445-F470 HydrophobicContact CB-CG 4.2Å; C447-F470 CarbonylContact C-O 3.52Å; C447-F470 VanDerWaalsContact CA-O 3.24Å; C447-F470 WeakPolarHBondContact CA-O 3.48Å; G448-F470 PolarHBondContact N-O 2.83Å; L454-F470 HydrophobicContact CD1-CB 3.48Å; L454-F470 VanDerWaalsContact CD1-CB 3.48Å; F462-F470 WeakPolarHBondContact O-CA 3.24Å; N463-F470 HydrophobicContact CB-CD1 4.05Å; N463-F470 HydrophobicContact CB-CE1 4.23Å; D468-F470 HydrophobicContact CB-CZ 4.31Å; D468-F470 WeakPolarHBondContact O-CE2 3.23Å; D468-F470 WeakPolarHBondContact O-CZ 3.37Å
471	I	87.9	Confident	85.4	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	152.3	-177.7	55.5	169.9	0	0	0	108	W429 F436 C447 V449 L454 G461 F462 L469 C475 K476 I479	W429-I471 HydrophobicContact CH2-CD1 4.36Å; W429-I471 HydrophobicContact CZ3-CD1 3.63Å; F436-I471 HydrophobicContact CD1-CD1 4.11Å; F436-I471 HydrophobicContact CD1-CG1 4.21Å; F436-I471 HydrophobicContact CD2-CD1 4.33Å; F436-I471 HydrophobicContact CE1-CD1 3.82Å; F436-I471 HydrophobicContact CE1-CG1 3.95Å; F436-I471 HydrophobicContact CE2-CD1 4.06Å; F436-I471 HydrophobicContact CG-CD1 4.35Å; F436-I471 HydrophobicContact CZ-CD1 3.8Å; F436-I471 HydrophobicContact CZ-CG1 4.39Å; C447-I471 VanDerWaalsContact SG-CA 3.54Å; V449-I471 HydrophobicContact CG2-CB 4.43Å; V449-I471 HydrophobicContact CG2-CG2 3.73Å; L454-I471 WeakPolarHBondContact CD2-O 3.27Å; G461-I471 CarbonylContact C-O 3.53Å; G461-I471 WeakPolarHBondContact CA-O 3.49Å; F462-I471 HydrophobicContact CB-CD1 4.1Å; F462-I471 HydrophobicContact CB-CG1 3.66Å; F462-I471 HydrophobicContact CD2-CD1 4.47Å; F462-I471 HydrophobicContact CD2-CG1 4.48Å; F462-I471 PolarHBondContact N-O 2.73Å; F462-I471 PolarHBondContact O-N 2.6Å; L469-I471 HydrophobicContact CD2-CG2 4.03Å; L469-I471 HydrophobicContact CG-CG2 3.87Å; I471-C475 HydrophobicContact CB-CB 4.33Å; I471-K476 HydrophobicContact CD1-CB 4.35Å; I471-I479 HydrophobicContact CD1-CD1 3.31Å; I471-I479 HydrophobicContact CD1-CG1 4.06Å; I471-I479 HydrophobicContact CG2-CG1 4.4Å
472	H	84.6	Confident	85.7	Confident	13 Å²	13	62 Å²	62	6%	0.06	31%	0.311	C	S	.	.			trans	-64	156.5	171.3	-71.9	116.3	0	0	0	111	C447 C450 F452 L453 L454 K474 C475	C447-H472 VanDerWaalsContact CB-ND1 3.27Å; C447-H472 WeakPolarHBondContact CB-ND1 2.87Å; C447-H472 PolarHBondContact SG-N 3.42Å; C447-H472 VanDerWaalsContact SG-N 3.41Å; C450-H472 PolarHBondContact SG-CE1 2.9Å; C450-H472 PolarHBondContact SG-ND1 3.05Å; F452-H472 PolarHBondContact O-CE1 3.48Å; L453-H472 PolarHBondContact O-NE2 3.08Å; L454-H472 WeakPolarHBondContact CA-NE2 3.32Å; L454-H472 HydrophobicContact CD2-CB 4.35Å; L454-H472 WeakPolarHBondContact CD2-CD2 3.49Å; H472-K474 HydrophobicContact CB-CG 3.82Å; H472-K474 PolarHBondContact O-N 3.28Å; H472-C475 HydrophobicContact CB-CB 4Å; H472-C475 PolarHBondContact O-N 2.58Å; H472-C475 VanDerWaalsContact O-N 3.09Å
473	L	81.5	Confident	85.7	Confident	91 Å²	91	61.6 Å²	61.6	48%	0.476	31%	0.31	S	S	.	.	S	Bend	trans	-59.4	-33.3	174.7	-160.8	67	0	0	0	110.7	F462 K476	F462-L473 HydrophobicContact CD2-CD1 3.62Å; F462-L473 HydrophobicContact CE1-CD1 4.01Å; F462-L473 HydrophobicContact CE2-CB 4.27Å; F462-L473 HydrophobicContact CE2-CD1 2.63Å; F462-L473 HydrophobicContact CE2-CG 3.78Å; F462-L473 HydrophobicContact CZ-CD1 2.91Å; F462-L473 HydrophobicContact CZ-CG 4.31Å; L473-K476 WeakPolarHBondContact O-CB 2.97Å; L473-K476 WeakPolarHBondContact O-CG 2.87Å; L473-K476 PolarHBondContact O-N 3.2Å
474	K	80	Confident	84.9	Confident	107 Å²	107	67.1 Å²	67.1	47%	0.465	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-80.4	0	-179.8	57.9	-178.3	179	-177.2	0	111.2	T328 H472 K476	T328-K474 PolarHBondContact OG1-NZ 3.26Å; H472-K474 HydrophobicContact CB-CG 3.82Å; H472-K474 PolarHBondContact O-N 3.28Å; K474-K476 PolarHBondContact O-N 3.05Å
475	C	86	Confident	83.7	Confident	13 Å²	13	76.2 Å²	76.2	9%	0.088	38%	0.383	C	S	.	.	G	3₁₀ helix		0	11	0	-70	0	0	0	0	110.5	C447 V449 I471 H472 N477 G478	C447-C475 WeakPolarHBondContact SG-CB 3.25Å; C447-C475 PolarHBondContact SG-SG 3.45Å; V449-C475 HydrophobicContact CB-CB 3.66Å; V449-C475 HydrophobicContact CG1-CB 4.09Å; V449-C475 HydrophobicContact CG2-CB 4Å; V449-C475 WeakPolarHBondContact CG2-O 3.45Å; I471-C475 HydrophobicContact CB-CB 4.33Å; H472-C475 HydrophobicContact CB-CB 4Å; H472-C475 PolarHBondContact O-N 2.58Å; H472-C475 VanDerWaalsContact O-N 3.09Å; C475-N477 PolarHBondContact O-N 2.61Å; C475-G478 PolarHBondContact O-N 3.31Å; C475-G478 VanDerWaalsContact O-N 3.1Å
476	K	85.6	Confident	81.8	Confident	82 Å²	82	80.3 Å²	80.3	36%	0.357	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-62.4	-31.4	-176.3	70.7	176.4	179.4	-175.6	0	111.1	W429 F462 I471 L473 K474 I479	W429-K476 HydrophobicContact CD2-CB 4.46Å; W429-K476 HydrophobicContact CE3-CB 4.17Å; W429-K476 HydrophobicContact CH2-CB 3.34Å; W429-K476 HydrophobicContact CH2-CG 4.22Å; W429-K476 WeakPolarHBondContact CH2-O 2.14Å; W429-K476 HydrophobicContact CZ2-CB 3.68Å; W429-K476 HydrophobicContact CZ2-CD 4.36Å; W429-K476 HydrophobicContact CZ2-CG 4.08Å; W429-K476 WeakPolarHBondContact CZ2-O 3.32Å; W429-K476 HydrophobicContact CZ3-CB 3.61Å; F462-K476 HydrophobicContact CE2-CB 4.44Å; I471-K476 HydrophobicContact CD1-CB 4.35Å; L473-K476 WeakPolarHBondContact O-CB 2.97Å; L473-K476 WeakPolarHBondContact O-CG 2.87Å; L473-K476 PolarHBondContact O-N 3.2Å; K474-K476 PolarHBondContact O-N 3.05Å; K476-I479 WeakPolarHBondContact O-CD1 3.07Å
477	N	83.8	Confident	79.7	Confident	106 Å²	106	80.3 Å²	80.3	57%	0.567	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-91.1	-5.8	-176.3	-69.4	-20.6	0	0	0	110.5	C475 I479	C475-N477 PolarHBondContact O-N 2.61Å; N477-I479 VanDerWaalsContact C-N 3.32Å; N477-I479 PolarHBondContact O-N 3.23Å
478	G	84.8	Confident	77.4	Confident	34 Å²	34	89.2 Å²	89.2	35%	0.351	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-92.5	6.7	-175.9	0	0	0	0	0	111.7	V449 C475 R480	V449-G478 WeakPolarHBondContact CG1-O 3.31Å; C475-G478 PolarHBondContact O-N 3.31Å; C475-G478 VanDerWaalsContact O-N 3.1Å; G478-R480 PolarHBondContact O-N 3.33Å
479	I	85.4	Confident	75	Confident	6 Å²	6	96.3 Å²	96.3	3%	0.031	46%	0.462	C	S	.	.			trans	-75	117.8	-177.3	-63	169.7	0	0	0	109.2	W429 K432 F436 V449 L469 I471 K476 N477 D481	W429-I479 HydrophobicContact CH2-CD1 3.6Å; W429-I479 HydrophobicContact CZ3-CD1 3.61Å; K432-I479 HydrophobicContact CD-CG2 4.44Å; K432-I479 WeakPolarHBondContact CD-O 3.45Å; K432-I479 WeakPolarHBondContact CE-O 2.55Å; K432-I479 PolarHBondContact NZ-O 3.1Å; F436-I479 HydrophobicContact CD2-CD1 4.14Å; F436-I479 HydrophobicContact CE1-CD1 4.35Å; F436-I479 HydrophobicContact CE2-CD1 3.09Å; F436-I479 HydrophobicContact CZ-CD1 3.24Å; F436-I479 HydrophobicContact CZ-CG1 4.45Å; V449-I479 HydrophobicContact CG2-CG1 3.75Å; L469-I479 HydrophobicContact CD2-CG2 4.36Å; I471-I479 HydrophobicContact CD1-CD1 3.31Å; I471-I479 HydrophobicContact CD1-CG1 4.06Å; I471-I479 HydrophobicContact CG2-CG1 4.4Å; K476-I479 WeakPolarHBondContact O-CD1 3.07Å; N477-I479 VanDerWaalsContact C-N 3.32Å; N477-I479 PolarHBondContact O-N 3.23Å; I479-D481 WeakPolarHBondContact CG2-O 3.18Å
480	R	83.6	Confident	72.6	Confident	215 Å²	215	100.1 Å²	100.1	81%	0.811	49%	0.487	S	S	*	.			trans	-101.2	-19.9	-178.7	-68.1	-176.6	-177.4	-175.4	-0	110.2	K432 G478	K432-R480 PolarHBondContact NZ-O 3.49Å; K432-R480 VanDerWaalsContact NZ-O 3.13Å; G478-R480 PolarHBondContact O-N 3.33Å
481	D	82.4	Confident	70	Confident	126 Å²	126	105 Å²	105	67%	0.674	52%	0.52	S	S	*	.	S	Bend	trans	-94.3	139.1	-173.1	-66.8	-26.9	0	0	0	110.4	I479	I479-D481 WeakPolarHBondContact CG2-O 3.18Å
482	H	83.2	Confident	67.2	Low	127 Å²	127	108.4 Å²	108.4	59%	0.588	56%	0.555	S	S	*	*			trans	-77.2	142.2	174.7	-71.9	-75.4	0	0	0	110.5	K432 S484	K432-H482 CarbonylContact O-C 3.14Å; K432-H482 WeakPolarHBondContact O-CA 3.21Å; K432-H482 PolarHBondContact O-ND1 2.47Å; H482-S484 PolarHBondContact O-N 2.68Å; H482-S484 VanDerWaalsContact O-N 3.09Å
483	C	85.7	Confident	64.7	Low	4 Å²	4	114.9 Å²	114.9	3%	0.027	60%	0.595	C	S	.	*			trans	-55.4	114.9	179	-172.2	0	0	0	0	111.5	K432 G433 H434 N466 R485	K432-C483 PolarHBondContact O-N 1.84Å; G433-C483 WeakPolarHBondContact O-CB 3.23Å; G433-C483 PolarHBondContact O-SG 3.49Å; H434-C483 HydrophobicContact CB-CB 4.26Å; H434-C483 PolarHBondContact CD2-N 3.46Å; H434-C483 WeakPolarHBondContact CE1-CA 2.93Å; H434-C483 VanDerWaalsContact N-CB 3.34Å; H434-C483 WeakPolarHBondContact NE2-CA 3.37Å; H434-C483 PolarHBondContact NE2-N 2.23Å; H434-C483 VanDerWaalsContact NE2-N 3.18Å; N466-C483 WeakPolarHBondContact CB-SG 3.1Å; C483-R485 PolarHBondContact O-N 2.08Å
484	S	71.5	Confident	62.3	Low	125 Å²	125	115 Å²	115	87%	0.874	61%	0.609	S	S	*	*	S	Bend	trans	-73.7	0	-173.6	-65.8	0	0	0	0	111	H482	H482-S484 PolarHBondContact O-N 2.68Å; H482-S484 VanDerWaalsContact O-N 3.09Å
485	R	65.5	Low	59.9	Low	190 Å²	190	115.9 Å²	115.9	72%	0.717	63%	0.629	S	S	*	*				0	0	0	-154.4	175.1	-141.8	-129.9	-0.4	109.7	N466 C483	N466-R485 HydrophobicContact CB-CB 4.32Å; C483-R485 PolarHBondContact O-N 2.08Å
486	E	49.3	Very low	57.1	Low	167 Å²	167	119.7 Å²	119.7	78%	0.78	66%	0.661	S	S	*	*				0	0	0	-131.4	111.9	-158.8	0	0	110.9
487	G	41.3	Very low	54.3	Low	65 Å²	65	123 Å²	123	67%	0.67	68%	0.683	S	S	*	*				0	0	0	0	0	0	0	0	109.9
488	R	40.1	Very low	51.8	Low	235 Å²	235	124.2 Å²	124.2	89%	0.887	69%	0.694	S	S	*	*				0	0	0	-93.6	-163.1	-140.1	-164.9	-0.5	109.5
489	R	35.9	Very low	49.2	Very low	239 Å²	239	131.1 Å²	131.1	90%	0.902	72%	0.722	S	S	*	*				0	0	0	-66.2	-171.2	150	125.9	-1.4	111.4
490	T	38.2	Very low	46.5	Very low	123 Å²	123	137 Å²	137	76%	0.755	76%	0.764	S	S	*	*				0	0	0	42.8	0	0	0	0	109
491	T	33.3	Very low	43.9	Very low	137 Å²	137	129 Å²	129	84%	0.84	75%	0.748	S	S	*	*				0	0	0	52.9	0	0	0	0	109.5
492	G	29	Very low	41.4	Very low	72 Å²	72	129.7 Å²	129.7	74%	0.742	75%	0.751	S	S	*	*				0	0	0	0	0	0	0	0	110.7
493	V	33.1	Very low	38.9	Very low	149 Å²	149	133 Å²	133	90%	0.903	77%	0.771	S	S	*	*				0	0	0	179.8	0	0	0	0	108.2
494	A	30.4	Very low	36.1	Very low	92 Å²	92	135.1 Å²	135.1	76%	0.76	79%	0.794	S	S	*	*				0	0	0	0	0	0	0	0	109.3
495	S	29.4	Very low	34	Very low	126 Å²	126	134.4 Å²	134.4	88%	0.881	79%	0.789	S	S	*	*				0	0	0	-89	0	0	0	0	111.2
496	A	27.8	Very low	32.3	Very low	93 Å²	93	131.2 Å²	131.2	77%	0.769	79%	0.785	S	S	*	*				0	0	0	0	0	0	0	0	109.8
497	N	27.2	Very low	31.2	Very low	151 Å²	151	129.5 Å²	129.5	81%	0.807	79%	0.788	S	S	*	*				0	0	0	-85	-1.4	0	0	0	109.6
498	V	30.7	Very low	30.5	Very low	132 Å²	132	132.1 Å²	132.1	80%	0.8	79%	0.787	S	S	*	*				0	0	0	178.5	0	0	0	0	108.2
499	L	30.7	Very low	30	Very low	179 Å²	179	128.6 Å²	128.6	94%	0.937	79%	0.785	S	S	*	*	S	Bend		0	0	0	-74.6	174.4	0	0	0	110.3
500	S	29	Very low	29.6	Very low	130 Å²	130	122.5 Å²	122.5	91%	0.909	77%	0.774	S	S	*	*	S	Bend		0	0	0	-93.1	0	0	0	0	109.4
501	G	27.7	Very low	29	Very low	48 Å²	48	123 Å²	123	50%	0.495	77%	0.769	S	S	.	*	S	Bend		0	0	0	0	0	0	0	0	110
502	I	30.9	Very low	28.9	Very low	140 Å²	140	123.3 Å²	123.3	72%	0.718	77%	0.766	S	S	*	*				0	39.6	0	-62.4	177.4	0	0	0	108.1	G504	I502-G504 WeakPolarHBondContact CG2-O 3.49Å
503	L	29.8	Very low	28.7	Very low	196 Å²	196	125.7 Å²	125.7	100%	1.026	77%	0.766	S	S	*	*	S	Bend		-51.7	0	118.7	-82.6	151.1	0	0	0	111.3
504	G	27.5	Very low	28.7	Very low	48 Å²	48	127.5 Å²	127.5	50%	0.495	77%	0.765	S	S	.	*				0	0	0	0	0	0	0	0	109.8	I502	I502-G504 WeakPolarHBondContact CG2-O 3.49Å
505	S	28.4	Very low	28.6	Very low	111 Å²	111	128.1 Å²	128.1	78%	0.776	76%	0.759	S	S	*	*				0	71.6	0	-62	0	0	0	0	109.3
506	I	27.9	Very low	28.7	Very low	123 Å²	123	127.6 Å²	127.6	63%	0.631	75%	0.752	S	S	*	*			trans	-47.4	0	136.1	-58	176.2	0	0	0	109.8	N508	I506-N508 VanDerWaalsContact C-N 3.32Å; I506-N508 HydrophobicContact CG2-CB 3.23Å
507	P	28.1	Very low	28.6	Very low	131 Å²	131	126.3 Å²	126.3	85%	0.851	75%	0.748	S	S	*	*				0	93.9	0	23.5	0.5	0	0	0	111.5
508	N	25.2	Very low	28.7	Very low	120 Å²	120	127.3 Å²	127.3	64%	0.642	75%	0.754	S	S	*	*			trans	-61.5	101.2	138.8	-127.5	-32	0	0	0	110.3	I506	I506-N508 VanDerWaalsContact C-N 3.32Å; I506-N508 HydrophobicContact CG2-CB 3.23Å
509	L	29.4	Very low	28.6	Very low	160 Å²	160	125.5 Å²	125.5	84%	0.838	75%	0.752	S	S	*	*			trans	-136.5	99	136.9	-71.3	174.3	0	0	0	109.4
510	T	27.9	Very low	28.5	Very low	111 Å²	111	122.1 Å²	122.1	68%	0.681	74%	0.741	S	S	*	*				73.4	0	95.6	39.4	0	0	0	0	109.8
511	M	26.8	Very low	28.3	Very low	133 Å²	133	122.5 Å²	122.5	66%	0.655	73%	0.733	S	S	*	*				0	0	0	-83.2	-74.6	161.7	0	0	110.7
512	D	29.7	Very low	28.3	Very low	145 Å²	145	127.6 Å²	127.6	78%	0.775	74%	0.744	S	S	*	*				0	0	0	-77.6	-25.9	0	0	0	109.2
513	T	26.2	Very low	28	Very low	121 Å²	121	125.7 Å²	125.7	74%	0.742	74%	0.739	S	S	*	*				0	117.5	0	36.9	0	0	0	0	111.2
514	H	32	Very low	27.8	Very low	188 Å²	188	122.4 Å²	122.4	87%	0.87	72%	0.723	S	S	*	*			trans	-179.8	106	133.7	-94.3	-80.1	0	0	0	109.1
515	V	29.7	Very low	27.8	Very low	104 Å²	104	127.8 Å²	127.8	63%	0.63	74%	0.735	S	S	*	*			trans	-25.6	0	138.2	-176	0	0	0	0	110.2
516	P	31.5	Very low	27.8	Very low	115 Å²	115	127.8 Å²	127.8	75%	0.747	74%	0.735	S	S	*	*				0	0	0	33.1	-3.8	0	0	0	112.2
517	G	25.3	Very low	27.5	Very low	67 Å²	67	126.6 Å²	126.6	69%	0.691	74%	0.736	S	S	*	*				0	101.5	0	0	0	0	0	0	110.9
518	N	29.4	Very low	27.6	Very low	171 Å²	171	128.4 Å²	128.4	91%	0.914	74%	0.739	S	S	*	*				128.8	0	121.6	-94.4	8.5	0	0	0	110.1
519	A	28.3	Very low	27.7	Very low	94 Å²	94	131.4 Å²	131.4	78%	0.777	75%	0.746	S	S	*	*				0	161	0	0	0	0	0	0	111.6
520	P	28.9	Very low	27.7	Very low	108 Å²	108	129 Å²	129	70%	0.701	74%	0.738	S	S	*	*				-166.4	0	56.9	34.4	-5.6	0	0	0	111.9
521	N	24.4	Very low	27.8	Very low	139 Å²	139	127.7 Å²	127.7	74%	0.743	73%	0.731	S	S	*	*				0	117.4	0	-97.9	-4.2	0	0	0	111.1
522	Q	26.8	Very low	27.7	Very low	154 Å²	154	128.1 Å²	128.1	72%	0.72	74%	0.736	S	S	*	*				128.6	0	113.3	-79.7	-175.5	32.3	0	0	110
523	T	25.3	Very low	27.5	Very low	101 Å²	101	126.9 Å²	126.9	62%	0.62	73%	0.729	S	S	*	*				0	112.1	0	53.7	0	0	0	0	109.8
524	N	24.9	Very low	27.5	Very low	127 Å²	127	125.5 Å²	125.5	68%	0.679	72%	0.724	S	S	*	*				118.5	105.2	110.7	-91.2	-8.3	0	0	0	110.4
525	E	27.2	Very low	27.1	Very low	161 Å²	161	123.2 Å²	123.2	75%	0.752	72%	0.718	S	S	*	*				113.8	105.9	107.2	-79.9	-169.4	171.6	0	0	110.1
526	S	28.2	Very low	26.9	Very low	110 Å²	110	126.5 Å²	126.5	77%	0.769	73%	0.727	S	S	*	*				103.6	0	100.8	73.5	0	0	0	0	110.4
527	C	22.4	Very low	26.6	Very low	98 Å²	98	128 Å²	128	66%	0.662	73%	0.727	S	S	*	*				0	111.3	0	-122.6	0	0	0	0	111.1
528	N	29.9	Very low	26.6	Very low	170 Å²	170	127.7 Å²	127.7	91%	0.909	72%	0.724	S	S	*	*			trans	-162.6	0	132.2	-83.2	-23.2	0	0	0	109.6
529	K	28	Very low	26.3	Very low	182 Å²	182	124.2 Å²	124.2	79%	0.791	71%	0.713	S	S	*	*				0	127.1	0	-93.8	-175.5	-172.3	-171.3	0	111.8
530	V	28.8	Very low	26.1	Very low	111 Å²	111	126.5 Å²	126.5	67%	0.673	71%	0.712	S	S	*	*				123.8	151.7	107.9	-177.9	0	0	0	0	108.5
531	P	30.5	Very low	25.8	Very low	82 Å²	82	128 Å²	128	53%	0.532	72%	0.715	S	S	.	*			cis	-178	0	-13.2	35.7	-6.7	0	0	0	112.1
532	L	24.9	Very low	25.8	Very low	143 Å²	143	129.1 Å²	129.1	75%	0.749	72%	0.72	S	S	*	*				0	0	0	-73.8	172.7	0	0	0	109.9
533	N	24.1	Very low	25.5	Very low	119 Å²	119	128.1 Å²	128.1	64%	0.636	72%	0.718	S	S	*	*				0	0	0	-136.4	7.2	0	0	0	110.9
534	S	26.7	Very low	25.6	Very low	92 Å²	92	130.7 Å²	130.7	64%	0.643	72%	0.723	S	S	*	*				0	118.6	0	-63	0	0	0	0	111.4
535	N	23.5	Very low	25.6	Very low	140 Å²	140	131.1 Å²	131.1	75%	0.749	72%	0.72	S	S	*	*				147	103.8	127.7	-91.8	-6	0	0	0	109.8
536	Q	25.6	Very low	25.2	Very low	172 Å²	172	128.1 Å²	128.1	80%	0.804	72%	0.716	S	S	*	*			trans	-164.9	98.4	140.2	-92.4	-175.5	16.3	0	0	109.7
537	I	24.8	Very low	24.9	Very low	146 Å²	146	126.1 Å²	126.1	75%	0.749	70%	0.701	S	S	*	*				94.6	104.6	92.6	-68.5	169	0	0	0	108.9
538	G	25	Very low	25.1	Very low	61 Å²	61	126.2 Å²	126.2	63%	0.629	70%	0.699	S	S	*	*				93.7	98.2	99.3	0	0	0	0	0	111.2
539	S	24.2	Very low	24.8	Very low	98 Å²	98	123 Å²	123	69%	0.685	69%	0.685	S	S	*	*				132.4	113.8	116.2	-23.3	0	0	0	0	109.9
540	N	23.5	Very low	24.5	Very low	143 Å²	143	121.1 Å²	121.1	77%	0.765	68%	0.679	S	S	*	*				126.9	0	115.3	-84.2	-14.6	0	0	0	110.1
541	D	24.1	Very low	24.2	Very low	140 Å²	140	126.5 Å²	126.5	75%	0.749	69%	0.687	S	S	*	*				0	0	0	-82.1	-19.4	0	0	0	109.8
542	L	23.6	Very low	23.7	Very low	162 Å²	162	132.5 Å²	132.5	85%	0.848	70%	0.699	S	S	*	*				0	0	0	-124.7	93.2	0	0	0	110.4
543	I	21.2	Very low	23.6	Very low	132 Å²	132	131 Å²	131	68%	0.677	70%	0.7	S	S	*	*	S	Bend		0	115.2	0	-59.8	177.9	0	0	0	109.9
544	H	27.5	Very low	23.6	Very low	156 Å²	156	127.9 Å²	127.9	72%	0.722	70%	0.695	S	S	*	*				93.7	115.1	97.6	-139.7	-93.8	0	0	0	110.2
545	H	23	Very low	23.6	Very low	136 Å²	136	127.7 Å²	127.7	63%	0.63	69%	0.694	S	S	*	*			trans	84.1	111.1	152.1	-136.2	31	0	0	0	110.3
546	C	20.3	Very low	23.7	Very low	97 Å²	97	127.4 Å²	127.4	66%	0.655	69%	0.692	S	S	*	*				139.4	0	112	-168.4	0	0	0	0	109.7
547	C	22	Very low	23.7	Very low	69 Å²	69	123.9 Å²	123.9	47%	0.466	68%	0.683	S	S	.	*				0	92.4	0	-90.8	0	0	0	0	110.6
548	T	25.8	Very low	23.7	Very low	100 Å²	100	127.2 Å²	127.2	61%	0.613	69%	0.686	S	S	*	*				64	96.3	110	-24.7	0	0	0	0	110.1
549	T	23.4	Very low	23.8	Very low	101 Å²	101	131 Å²	131	62%	0.62	69%	0.687	S	S	*	*				135.6	93.5	118	43.4	0	0	0	0	109.1
550	H	22.6	Very low	24.1	Very low	143 Å²	143	135.2 Å²	135.2	66%	0.662	69%	0.693	S	S	*	*				140.2	71.8	125.1	-102.8	-81.1	0	0	0	109.3
551	R	22.2	Very low	24.1	Very low	224 Å²	224	136 Å²	136	85%	0.845	69%	0.692	S	S	*	*				178.9	89.3	120.2	-99.6	-161.5	-151.7	-156.4	-0.6	109.5
552	R	20.4	Very low	24.2	Very low	208 Å²	208	136.9 Å²	136.9	79%	0.785	69%	0.689	S	S	*	*				57.7	89	102.9	-132.4	178.1	-137.3	-141.9	-0.2	110.8
553	C	22.6	Very low	24.3	Very low	113 Å²	113	137 Å²	137	76%	0.764	68%	0.683	S	S	*	*				135.7	89.5	118.7	-141.7	0	0	0	0	109.2
554	G	24.7	Very low	24.6	Very low	52 Å²	52	134.4 Å²	134.4	54%	0.536	68%	0.681	S	S	.	*				88.6	95.3	108.9	0	0	0	0	0	111.2
555	S	25.5	Very low	24.7	Very low	89 Å²	89	133.1 Å²	133.1	62%	0.622	68%	0.679	S	S	*	*				87.2	104.7	110.1	-11.9	0	0	0	0	110.2
556	D	26.4	Very low	25	Very low	133 Å²	133	132.2 Å²	132.2	71%	0.711	68%	0.683	S	S	*	*				144.2	98.4	113.4	-89.1	-20.2	0	0	0	109.5
557	T	25.3	Very low	25.1	Very low	98 Å²	98	135 Å²	135	60%	0.601	69%	0.691	S	S	*	*				66.3	103.1	101.8	46.6	0	0	0	0	110.3
558	R	25	Very low	25.3	Very low	217 Å²	217	140 Å²	140	82%	0.819	71%	0.705	S	S	*	*				156.1	101.7	117.9	-90.5	-174.8	-173.8	-171.8	-0.7	109.4
559	H	26.8	Very low	25.3	Very low	140 Å²	140	140 Å²	140	65%	0.648	70%	0.701	S	S	*	*				86.7	97.1	98.3	-98.6	-58.1	0	0	0	110.4
560	K	29.3	Very low	25.5	Very low	186 Å²	186	143.5 Å²	143.5	81%	0.809	71%	0.708	S	S	*	*				142.2	99.3	112.9	-108	179.2	-178.6	175.7	0	109.7
561	Q	25.1	Very low	25.6	Very low	159 Å²	159	144 Å²	144	74%	0.743	71%	0.71	S	S	*	*				42.5	107	95.6	-110.2	174	-14	0	0	111.3
562	K	26.1	Very low	25.8	Very low	160 Å²	160	140.5 Å²	140.5	70%	0.696	71%	0.708	S	S	*	*				150.9	106.3	123	-109.6	178.7	-178.6	177.3	0	109.4
563	K	24.8	Very low	25.9	Very low	165 Å²	165	137 Å²	137	72%	0.717	70%	0.704	S	S	*	*				109	106.1	98.5	-105.2	179.7	-178.9	177.3	0	110
564	A	27.9	Very low	26	Very low	77 Å²	77	136.6 Å²	136.6	64%	0.636	70%	0.7	S	S	*	*				144.2	107.3	107.2	0	0	0	0	0	109.4
565	N	28.9	Very low	25.9	Very low	129 Å²	129	136.6 Å²	136.6	69%	0.69	69%	0.692	S	S	*	*				102.9	103.3	84.2	-84.7	-10.5	0	0	0	110.6
566	T	29.6	Very low	25.8	Very low	116 Å²	116	139.7 Å²	139.7	71%	0.712	69%	0.694	S	S	*	*				105.8	0	87.5	33.1	0	0	0	0	109.8
567	L	22.9	Very low	25.7	Very low	155 Å²	155	139.7 Å²	139.7	81%	0.812	69%	0.693	S	S	*	*				0	0	0	-104.4	154.3	0	0	0	111.2
568	K	25.7	Very low	25.6	Very low	176 Å²	176	142.5 Å²	142.5	77%	0.765	70%	0.699	S	S	*	*				0	0	0	-85.5	-179.3	-177.9	178.7	0	109.6
569	D	26.2	Very low	25.4	Very low	100 Å²	100	142.5 Å²	142.5	54%	0.535	70%	0.699	S	S	.	*				0	0	0	-79.8	-19.7	0	0	0	109.8
570	F	26.5	Very low	25.2	Very low	174 Å²	174	142.5 Å²	142.5	76%	0.763	70%	0.704	S	S	*	*				0	102.3	0	-91.9	-82	0	0	0	109.1
571	H	25.4	Very low	24.9	Very low	152 Å²	152	139.5 Å²	139.5	70%	0.704	70%	0.697	S	S	*	*	S	Bend		-177	90	89	-96.6	-79.4	0	0	0	109.3
572	L	27.1	Very low	24.9	Very low	152 Å²	152	138.6 Å²	138.6	80%	0.796	70%	0.697	S	S	*	*				147	76.2	91.8	-75.3	170.5	0	0	0	109.3
573	L	22.2	Very low	24.8	Very low	135 Å²	135	134 Å²	134	71%	0.707	69%	0.689	S	S	*	*				-5.6	142.4	128	-84.3	154.3	0	0	0	111.6	S575	L573-S575 WeakPolarHBondContact CD2-OG 3.49Å
574	P	23.9	Very low	24.8	Very low	103 Å²	103	133.3 Å²	133.3	67%	0.669	69%	0.693	S	S	*	*				-158.6	112.6	71.9	17.4	5.5	0	0	0	112.6	F576	P574-F576 HydrophobicContact CB-CD2 3.69Å; P574-F576 HydrophobicContact CB-CE2 3.81Å
575	S	24.3	Very low	24.6	Very low	53 Å²	53	134.2 Å²	134.2	37%	0.371	70%	0.695	S	S	.	*				56.3	102.8	98	-38.1	0	0	0	0	110.7	L573	L573-S575 WeakPolarHBondContact CD2-OG 3.49Å
576	F	23	Very low	24.4	Very low	154 Å²	154	132.1 Å²	132.1	68%	0.675	69%	0.687	S	S	*	*				144.7	96.2	120.7	-86.4	-78.1	0	0	0	109.2	P574	P574-F576 HydrophobicContact CB-CD2 3.69Å; P574-F576 HydrophobicContact CB-CE2 3.81Å
577	L	23.2	Very low	24.3	Very low	132 Å²	132	133.3 Å²	133.3	69%	0.691	69%	0.689	S	S	*	*				112.9	107.2	114.9	-76.4	179.5	0	0	0	109.9
578	H	23.6	Very low	24.3	Very low	158 Å²	158	133.1 Å²	133.1	73%	0.731	69%	0.688	S	S	*	*				69	98.1	102.8	-118.7	56	0	0	0	110.5
579	R	21.5	Very low	24.5	Very low	216 Å²	216	129 Å²	129	82%	0.815	68%	0.679	S	S	*	*				123.4	101.5	121.9	-148	173.2	178.8	-178	0.4	109.7
580	N	21.1	Very low	24.4	Very low	141 Å²	141	131.5 Å²	131.5	75%	0.754	69%	0.688	S	S	*	*				41.6	99.4	114.8	-113.3	-1.8	0	0	0	111.5
581	N	23.9	Very low	24.2	Very low	123 Å²	123	129.2 Å²	129.2	66%	0.658	68%	0.683	S	S	*	*			trans	162.6	98.4	140.5	-87.7	-19.6	0	0	0	109.7
582	N	24.6	Very low	24.2	Very low	139 Å²	139	127.7 Å²	127.7	74%	0.743	69%	0.685	S	S	*	*				82.9	102.4	104.4	-99.5	-3.9	0	0	0	110.9
583	A	23.6	Very low	24.1	Very low	63 Å²	63	126.2 Å²	126.2	52%	0.521	68%	0.681	S	S	.	*				81.1	104.3	102.6	0	0	0	0	0	110.5
584	N	25.9	Very low	24.4	Very low	152 Å²	152	124.3 Å²	124.3	81%	0.813	69%	0.686	S	S	*	*				84	103.6	114.9	-79	-20.2	0	0	0	110.8
585	S	24.1	Very low	24.4	Very low	96 Å²	96	124.1 Å²	124.1	67%	0.671	69%	0.686	S	S	*	*				105.7	102.4	121.2	163.2	0	0	0	0	110.3
586	V	23.3	Very low	24.6	Very low	85 Å²	85	128.5 Å²	128.5	52%	0.515	71%	0.705	S	S	.	*				117	104.1	121	-176.8	0	0	0	0	108.7
587	D	28.2	Very low	24.9	Very low	141 Å²	141	126.2 Å²	126.2	75%	0.754	70%	0.7	S	S	*	*				125	90.1	119.3	-81.8	-31.4	0	0	0	109.7
588	N	23.9	Very low	25.2	Very low	150 Å²	150	127.3 Å²	127.3	80%	0.802	70%	0.702	S	S	*	*				40.9	147.5	120.8	-124	1	0	0	0	111.9
589	P	28.3	Very low	25.3	Very low	89 Å²	89	124 Å²	124	58%	0.578	69%	0.693	S	S	*	*				164	141.5	50.9	33.8	-4.6	0	0	0	111.9
590	H	25	Very low	25.6	Very low	153 Å²	153	119.7 Å²	119.7	71%	0.708	68%	0.684	S	S	*	*				87.4	108.8	113.6	-91.7	-82.2	0	0	0	110.4
591	D	23.1	Very low	25.9	Very low	126 Å²	126	119.5 Å²	119.5	67%	0.674	68%	0.683	S	S	*	*				72.7	107	110.1	-90.3	-16.1	0	0	0	110.8
592	V	25.3	Very low	25.9	Very low	121 Å²	121	117.8 Å²	117.8	73%	0.733	68%	0.681	S	S	*	*				156.2	102.6	124.7	-178.1	0	0	0	0	108.4
593	V	23.6	Very low	26	Very low	120 Å²	120	116.5 Å²	116.5	73%	0.727	68%	0.683	S	S	*	*				81.7	104.7	94.4	179.4	0	0	0	0	109.3
594	A	29.5	Very low	25.9	Very low	96 Å²	96	118.8 Å²	118.8	79%	0.793	69%	0.694	S	S	*	*				-175.7	0	125.9	0	0	0	0	0	109.1
595	S	24.6	Very low	25.8	Very low	98 Å²	98	119.4 Å²	119.4	69%	0.685	69%	0.692	S	S	*	*				0	0	0	179.4	0	0	0	0	110.7
596	L	27.8	Very low	25.7	Very low	145 Å²	145	121.1 Å²	121.1	76%	0.759	69%	0.693	S	S	*	*				0	0	0	-158.4	69.4	0	0	0	109.4
597	D	28.8	Very low	25.8	Very low	107 Å²	107	121.3 Å²	121.3	57%	0.572	70%	0.698	S	S	*	*				0	109.9	0	-123.8	-1	0	0	0	109.7
598	E	29.2	Very low	25.6	Very low	155 Å²	155	120 Å²	120	72%	0.724	70%	0.7	S	S	*	*				125.7	104.3	83.9	-105.2	-178.2	175.9	0	0	109.9
599	T	27	Very low	25.6	Very low	89 Å²	89	115.8 Å²	115.8	55%	0.546	69%	0.692	S	S	.	*				116	110.6	88.1	-30.1	0	0	0	0	109.7
600	I	27.7	Very low	25.5	Very low	124 Å²	124	118.9 Å²	118.9	64%	0.636	70%	0.703	S	S	*	*				126.1	0	95.4	-65.1	175.7	0	0	0	108.4
601	N	27.1	Very low	25.4	Very low	138 Å²	138	117.8 Å²	117.8	74%	0.738	70%	0.702	S	S	*	*				0	109	0	-97.3	-4.4	0	0	0	110.4
602	S	24.4	Very low	25.4	Very low	87 Å²	87	119.3 Å²	119.3	61%	0.608	71%	0.706	S	S	*	*				64.9	112.1	101.4	42.2	0	0	0	0	110.8
603	S	26.3	Very low	25.5	Very low	111 Å²	111	119 Å²	119	78%	0.776	70%	0.704	S	S	*	*				157.3	112	127.4	-9.9	0	0	0	0	109.4
604	C	21.6	Very low	25.6	Very low	112 Å²	112	118.4 Å²	118.4	76%	0.757	71%	0.705	S	S	*	*				44.1	110	98.3	-78.8	0	0	0	0	110.8
605	Q	23.5	Very low	25.4	Very low	165 Å²	165	118.2 Å²	118.2	77%	0.771	70%	0.698	S	S	*	*				102.2	111.4	121.9	-85.2	-168.9	-21.5	0	0	110.1
606	D	22.7	Very low	25.6	Very low	131 Å²	131	120.5 Å²	120.5	70%	0.701	70%	0.701	S	S	*	*				87.9	103.1	121	-86.5	-16.3	0	0	0	110.4
607	S	23.5	Very low	25.4	Very low	89 Å²	89	118.7 Å²	118.7	62%	0.622	70%	0.701	S	S	*	*				95.8	106.3	119.3	2.6	0	0	0	0	110.4
608	S	24	Very low	25.4	Very low	114 Å²	114	116.4 Å²	116.4	80%	0.797	70%	0.702	S	S	*	*				96.9	105.3	117.7	50.6	0	0	0	0	110.5
609	G	24.1	Very low	25.2	Very low	61 Å²	61	115.2 Å²	115.2	63%	0.629	71%	0.711	S	S	*	*				106.2	97	115.7	0	0	0	0	0	111
610	L	26	Very low	25.3	Very low	154 Å²	154	114.8 Å²	114.8	81%	0.806	72%	0.724	S	S	*	*				131.3	100.6	110.5	-72.7	176.1	0	0	0	109.6
611	N	23.9	Very low	25.4	Very low	130 Å²	130	112.7 Å²	112.7	70%	0.695	73%	0.733	S	S	*	*				59.1	112.5	101.3	-83.1	-10.9	0	0	0	111.4
612	E	24	Very low	25.5	Very low	159 Å²	159	108.9 Å²	108.9	74%	0.743	73%	0.727	S	S	*	*				150.3	104.3	110.3	-79.7	-171.9	171.1	0	0	109.8
613	T	25.6	Very low	25.6	Very low	114 Å²	114	111.6 Å²	111.6	70%	0.699	73%	0.734	S	S	*	*				125.3	102.2	91.7	47.8	0	0	0	0	109.5
614	S	27.3	Very low	25.8	Very low	108 Å²	108	112.2 Å²	112.2	76%	0.755	73%	0.734	S	S	*	*				164.9	101.2	101.4	45.4	0	0	0	0	109.3
615	S	25.1	Very low	26	Very low	91 Å²	91	111.5 Å²	111.5	64%	0.636	73%	0.73	S	S	*	*				109.7	96.4	85	16.1	0	0	0	0	110
616	I	27.8	Very low	25.9	Very low	147 Å²	147	109.7 Å²	109.7	75%	0.754	72%	0.724	S	S	*	*				146.1	96.1	105.2	-66.6	174.1	0	0	0	108.1
617	S	24.8	Very low	25.9	Very low	107 Å²	107	110.4 Å²	110.4	75%	0.748	73%	0.728	S	S	*	*				69.5	107.5	94.7	61.2	0	0	0	0	110.6
618	G	27.8	Very low	26.1	Very low	59 Å²	59	115.6 Å²	115.6	61%	0.608	74%	0.74	S	S	*	*				135	96.5	111.5	0	0	0	0	0	110
619	S	26.1	Very low	26.3	Very low	129 Å²	129	115.4 Å²	115.4	90%	0.902	74%	0.736	S	S	*	*				79.7	103.7	104.3	-64.9	0	0	0	0	110.3
620	G	27.9	Very low	26.2	Very low	80 Å²	80	118.2 Å²	118.2	83%	0.825	75%	0.746	S	S	*	*				131	95.6	123.9	0	0	0	0	0	110
621	G	29.7	Very low	26.5	Very low	80 Å²	80	117 Å²	117	83%	0.825	75%	0.747	S	S	*	*				109.8	98.4	113	0	0	0	0	0	110.3
622	G	30	Very low	26.4	Very low	58 Å²	58	114.1 Å²	114.1	60%	0.598	75%	0.748	S	S	*	*				101.3	100.1	99.4	0	0	0	0	0	110.8
623	D	26.8	Very low	26.4	Very low	144 Å²	144	115.1 Å²	115.1	77%	0.77	76%	0.758	S	S	*	*				88.9	104.7	98	-83.1	-16.5	0	0	0	109.8
624	T	30.6	Very low	26.4	Very low	125 Å²	125	114.4 Å²	114.4	77%	0.767	76%	0.758	S	S	*	*				153.8	0	97	37.8	0	0	0	0	108.8
625	S	24	Very low	26.3	Very low	97 Å²	97	116.8 Å²	116.8	68%	0.678	75%	0.754	S	S	*	*				0	108	0	65.7	0	0	0	0	111.3
626	I	22.9	Very low	26.3	Very low	127 Å²	127	121.9 Å²	121.9	65%	0.651	76%	0.759	S	S	*	*			trans	166.2	107.7	133.9	-57.8	175.3	0	0	0	108
627	N	23	Very low	26.2	Very low	145 Å²	145	121.1 Å²	121.1	78%	0.775	76%	0.757	S	S	*	*				145.8	99.6	105.6	-93.3	-22.4	0	0	0	109.7
628	F	26.7	Very low	26.2	Very low	199 Å²	199	120.4 Å²	120.4	87%	0.873	75%	0.752	S	S	*	*				6.4	0	127.4	-87.3	-82.8	0	0	0	111.4
629	P	27.9	Very low	26.1	Very low	109 Å²	109	124.7 Å²	124.7	71%	0.708	76%	0.76	S	S	*	*				0	126.9	0	33	-4.1	0	0	0	112
630	S	22.7	Very low	26	Very low	121 Å²	121	122.9 Å²	122.9	85%	0.846	75%	0.747	S	S	*	*			trans	51.2	0	143	-63.1	0	0	0	0	110.9
631	P	31	Very low	25.9	Very low	128 Å²	128	124.2 Å²	124.2	83%	0.831	74%	0.744	S	S	*	*				0	0	0	33.5	-4.7	0	0	0	111.9
632	G	23.4	Very low	25.6	Very low	70 Å²	70	129 Å²	129	72%	0.722	75%	0.746	S	S	*	*				0	108.1	0	0	0	0	0	0	110.4
633	L	23.2	Very low	25.3	Very low	179 Å²	179	131.2 Å²	131.2	94%	0.937	75%	0.753	S	S	*	*				73.8	119.7	111.4	-82.2	160.2	0	0	0	110.5
634	S	25.3	Very low	25.2	Very low	100 Å²	100	131.2 Å²	131.2	70%	0.699	76%	0.758	S	S	*	*				108.8	0	113.1	162.2	0	0	0	0	110.1
635	K	26.4	Very low	24.8	Very low	158 Å²	158	128.4 Å²	128.4	69%	0.687	75%	0.754	S	S	*	*				0	123.8	0	-99.7	-179.9	-176.5	178	0	110.6
636	R	25.2	Very low	24.8	Very low	197 Å²	197	129.2 Å²	129.2	74%	0.743	76%	0.759	S	S	*	*				94	122.3	109.2	-102.9	-177.6	-173.7	157.2	0.5	110.3
637	D	25.3	Very low	24.8	Very low	132 Å²	132	129.2 Å²	129.2	71%	0.706	77%	0.765	S	S	*	*				84.8	127.6	109.5	-78.1	-24.4	0	0	0	110.6
638	S	25	Very low	24.7	Very low	92 Å²	92	127.2 Å²	127.2	64%	0.643	76%	0.762	S	S	*	*				96.7	125.8	104.5	-34.6	0	0	0	0	110.2
639	I	24.8	Very low	24.5	Very low	149 Å²	149	126.5 Å²	126.5	76%	0.764	76%	0.761	S	S	*	*				123.4	0	109.8	-62.9	172.9	0	0	0	108.5
640	S	24.2	Very low	24.3	Very low	91 Å²	91	126.9 Å²	126.9	64%	0.636	76%	0.762	S	S	*	*				0	124.9	0	-14	0	0	0	0	110.5
641	S	25.4	Very low	24.4	Very low	108 Å²	108	127.5 Å²	127.5	76%	0.755	76%	0.763	S	S	*	*				95.2	128.1	103.5	62.4	0	0	0	0	110.4
642	M	23.7	Very low	24.1	Very low	179 Å²	179	126.8 Å²	126.8	88%	0.882	76%	0.756	S	S	*	*				122.7	0	101.4	-70.6	-164.7	73.8	0	0	109.5
643	S	24.4	Very low	24.1	Very low	106 Å²	106	129.2 Å²	129.2	74%	0.741	75%	0.752	S	S	*	*				0	129.3	0	-155.7	0	0	0	0	109.7
644	V	23.6	Very low	24.2	Very low	144 Å²	144	126.4 Å²	126.4	87%	0.873	75%	0.748	S	S	*	*				63.1	0	115.3	-155.1	0	0	0	0	109.3
645	G	23.9	Very low	24.1	Very low	66 Å²	66	131.1 Å²	131.1	68%	0.68	75%	0.752	S	S	*	*				0	117.8	0	0	0	0	0	0	109.8
646	S	23.4	Very low	23.9	Very low	113 Å²	113	129.7 Å²	129.7	79%	0.79	75%	0.751	S	S	*	*				98.7	125.9	123.7	-35.8	0	0	0	0	109.9
647	T	22.3	Very low	23.9	Very low	127 Å²	127	127.7 Å²	127.7	78%	0.779	75%	0.75	S	S	*	*				105.1	0	122.6	-43.9	0	0	0	0	109.5
648	C	20.8	Very low	23.7	Very low	104 Å²	104	127 Å²	127	70%	0.703	76%	0.755	S	S	*	*				0	113.8	0	-79.9	0	0	0	0	110.2
649	Q	23.7	Very low	23.6	Very low	183 Å²	183	125.4 Å²	125.4	86%	0.855	75%	0.754	S	S	*	*			trans	162.9	0	130.4	-96.8	164.7	5.3	0	0	109.3
650	T	23.2	Very low	23.5	Very low	117 Å²	117	127 Å²	127	72%	0.718	76%	0.762	S	S	*	*				0	148.4	0	54.1	0	0	0	0	110.7
651	P	24.8	Very low	23.5	Very low	134 Å²	134	125.6 Å²	125.6	87%	0.87	76%	0.762	S	S	*	*			trans	-123.5	0	131.6	25.6	-0.8	0	0	0	111.6
652	V	24.2	Very low	23.4	Very low	114 Å²	114	129 Å²	129	69%	0.691	77%	0.766	S	S	*	*				0	121.5	0	-158.2	0	0	0	0	109
653	D	24.3	Very low	23.4	Very low	121 Å²	121	125.5 Å²	125.5	65%	0.647	76%	0.755	S	S	*	*				155.9	130.3	121.7	-86.8	-22.3	0	0	0	109.3
654	S	25.5	Very low	23.4	Very low	120 Å²	120	127.6 Å²	127.6	84%	0.839	76%	0.757	S	S	*	*				172.2	0	99.9	14.9	0	0	0	0	109.3
655	Y	22	Very low	23.4	Very low	199 Å²	199	130 Å²	130	78%	0.78	76%	0.756	S	S	*	*				0	0	0	-95.9	-85.4	0	0	0	111.1
656	L	23	Very low	23.5	Very low	128 Å²	128	134.9 Å²	134.9	67%	0.67	77%	0.765	S	S	*	*				0	0	0	-91.1	161.6	0	0	0	109.8
657	Q	23.6	Very low	23.5	Very low	155 Å²	155	138.5 Å²	138.5	72%	0.724	77%	0.766	S	S	*	*				0	119.5	0	-141.8	117.4	0.4	0	0	109.5
658	S	22.5	Very low	23.7	Very low	116 Å²	116	137.9 Å²	137.9	81%	0.811	77%	0.767	S	S	*	*				123.8	0	108	64.4	0	0	0	0	109.6
659	G	23.4	Very low	23.8	Very low	60 Å²	60	140.5 Å²	140.5	62%	0.619	77%	0.774	S	S	*	*				0	102.9	0	0	0	0	0	0	110.5
660	I	21.7	Very low	23.9	Very low	183 Å²	183	134.9 Å²	134.9	94%	0.938	77%	0.765	S	S	*	*				106.7	114.7	108.6	-63.6	170.3	0	0	0	108.3
661	G	24.1	Very low	23.9	Very low	61 Å²	61	137.6 Å²	137.6	63%	0.629	77%	0.769	S	S	*	*				141	97.8	117.1	0	0	0	0	0	110.2
662	Q	24.1	Very low	23.8	Very low	179 Å²	179	137.7 Å²	137.7	84%	0.836	76%	0.758	S	S	*	*				84.3	114.8	100.9	-106.3	173.6	12.1	0	0	110.4
663	T	22.5	Very low	23.7	Very low	106 Å²	106	140.5 Å²	140.5	65%	0.65	76%	0.762	S	S	*	*				96.3	117.7	101.8	52.5	0	0	0	0	109.4
664	D	24.9	Very low	23.6	Very low	149 Å²	149	137.5 Å²	137.5	80%	0.797	76%	0.759	S	S	*	*				155.9	0	111.4	-89.4	-20.8	0	0	0	109.2
665	K	24.5	Very low	23.5	Very low	196 Å²	196	138 Å²	138	85%	0.852	75%	0.751	S	S	*	*				0	113	0	-95.3	-176.1	-176.3	-175	0	111.6
666	I	24.7	Very low	23.5	Very low	167 Å²	167	136.8 Å²	136.8	86%	0.856	75%	0.754	S	S	*	*			trans	-174.6	0	131.8	-64.1	173.8	0	0	0	107.9
667	K	24.3	Very low	23.6	Very low	190 Å²	190	133.7 Å²	133.7	83%	0.826	75%	0.753	S	S	*	*				0	125.6	0	-101.9	178.1	-177.2	-179.2	0	111.6
668	S	25.7	Very low	23.6	Very low	113 Å²	113	133.1 Å²	133.1	79%	0.79	76%	0.755	S	S	*	*				175.7	0	126.3	61.9	0	0	0	0	109.3
669	N	23.7	Very low	23.7	Very low	160 Å²	160	134.2 Å²	134.2	86%	0.856	75%	0.752	S	S	*	*				0	120.9	0	-74.2	-9.8	0	0	0	111.5
670	G	25.1	Very low	23.7	Very low	64 Å²	64	135.8 Å²	135.8	66%	0.66	75%	0.753	S	S	*	*				156.8	0	124.8	0	0	0	0	0	110
671	E	23.3	Very low	23.7	Very low	174 Å²	174	134.5 Å²	134.5	81%	0.813	75%	0.748	S	S	*	*				0	115.7	0	-84.8	-173.1	165.7	0	0	110.7
672	E	22.4	Very low	23.6	Very low	137 Å²	137	140.8 Å²	140.8	64%	0.64	76%	0.757	S	S	*	*				121.7	112.6	106.4	-123.6	-176.5	177.1	0	0	109.6
673	F	22.1	Very low	23.6	Very low	173 Å²	173	139.9 Å²	139.9	76%	0.759	76%	0.757	S	S	*	*				105.6	115.9	98	-102.8	-86.6	0	0	0	109.1
674	G	23.4	Very low	23.8	Very low	57 Å²	57	139.1 Å²	139.1	59%	0.588	76%	0.761	S	S	*	*				95.6	109.9	94	0	0	0	0	0	111
675	I	22.7	Very low	24	Very low	131 Å²	131	136.4 Å²	136.4	67%	0.672	75%	0.752	S	S	*	*				127.1	109.9	107.5	-59.4	179.5	0	0	0	108.1
676	M	22.4	Very low	23.9	Very low	174 Å²	174	134 Å²	134	86%	0.857	75%	0.748	S	S	*	*				100.3	109.3	103.3	-92.3	-178.1	76.6	0	0	109.7
677	G	24.1	Very low	23.9	Very low	62 Å²	62	134.3 Å²	134.3	64%	0.639	75%	0.746	S	S	*	*				129.4	103.1	111.4	0	0	0	0	0	110.1
678	N	23.5	Very low	23.9	Very low	143 Å²	143	129.9 Å²	129.9	77%	0.765	74%	0.739	S	S	*	*				71.2	105.9	102.8	-84.1	-5.9	0	0	0	111
679	D	24.6	Very low	23.8	Very low	139 Å²	139	129.3 Å²	129.3	74%	0.743	73%	0.731	S	S	*	*				144.9	102.1	117.6	-86.8	-17.2	0	0	0	109.1
680	S	23.6	Very low	23.9	Very low	93 Å²	93	127.4 Å²	127.4	65%	0.65	73%	0.725	S	S	*	*				116.6	100.6	105.9	-65	0	0	0	0	109.7
681	L	22.5	Very low	23.7	Very low	157 Å²	157	131.4 Å²	131.4	82%	0.822	73%	0.73	S	S	*	*				126.7	100.5	100.1	-88.8	156	0	0	0	109.4
682	K	21.8	Very low	23.7	Very low	192 Å²	192	132.1 Å²	132.1	84%	0.835	73%	0.731	S	S	*	*				48.5	98.3	84.6	-100.1	-179.4	-175.9	-175	0	111.4
683	I	23.3	Very low	23.7	Very low	160 Å²	160	132 Å²	132	82%	0.821	75%	0.745	S	S	*	*				178.9	86.5	123.4	-64.9	173.1	0	0	0	108
684	A	28.2	Very low	23.8	Very low	90 Å²	90	128.5 Å²	128.5	74%	0.744	74%	0.742	S	S	*	*				-35.6	0	128.5	0	0	0	0	0	111.4
685	P	28.9	Very low	24	Very low	93 Å²	93	135.1 Å²	135.1	60%	0.604	76%	0.758	S	S	*	*				0	134.1	0	34.5	-5.8	0	0	0	112.1
686	N	22.6	Very low	24.1	Very low	144 Å²	144	135 Å²	135	77%	0.77	76%	0.759	S	S	*	*				87	0	126.3	-76.1	-13.8	0	0	0	110.8
687	H	24.5	Very low	24.1	Very low	174 Å²	174	133.6 Å²	133.6	81%	0.806	75%	0.753	S	S	*	*				0	0	0	-99.5	-85.4	0	0	0	109.2
688	S	24	Very low	24.1	Very low	98 Å²	98	139 Å²	139	69%	0.685	76%	0.759	S	S	*	*				0	0	0	50.4	0	0	0	0	111.2
689	T	22.7	Very low	24.1	Very low	101 Å²	101	138.7 Å²	138.7	62%	0.62	76%	0.762	S	S	*	*				0	0	0	-36.8	0	0	0	0	109	L691	T689-L691 HydrophobicContact CG2-CG 4.48Å
690	V	25.5	Very low	24.1	Very low	120 Å²	120	137.3 Å²	137.3	73%	0.727	76%	0.76	S	S	*	*				0	0	0	-179.1	0	0	0	0	110.2
691	L	21.3	Very low	24.1	Very low	147 Å²	147	140.8 Å²	140.8	77%	0.77	77%	0.771	S	S	*	*				0	0	0	-80.9	172.4	0	0	0	109.1	T689	T689-L691 HydrophobicContact CG2-CG 4.48Å
692	F	23.1	Very low	24.1	Very low	190 Å²	190	140.7 Å²	140.7	83%	0.833	77%	0.771	S	S	*	*				0	0	0	-87.3	-80.9	0	0	0	111.1
693	S	23.9	Very low	24.2	Very low	133 Å²	133	136.1 Å²	136.1	93%	0.93	76%	0.763	S	S	*	*				0	0	0	-90.4	0	0	0	0	110
694	S	24.4	Very low	24.2	Very low	100 Å²	100	137.8 Å²	137.8	70%	0.699	77%	0.765	S	S	*	*				0	108.7	0	-114.5	0	0	0	0	111.7
695	E	26.9	Very low	23.9	Very low	197 Å²	197	139 Å²	139	92%	0.921	77%	0.767	S	S	*	*			trans	-88.9	0	154.9	-90.3	-179.4	176.7	0	0	111
696	D	24	Very low	23.6	Very low	129 Å²	129	139.8 Å²	139.8	69%	0.69	78%	0.775	S	S	*	*				0	108.4	0	-78.7	-21.5	0	0	0	111.5
697	I	23.2	Very low	23.5	Very low	143 Å²	143	140 Å²	140	73%	0.733	78%	0.776	S	S	*	*				-129	98.7	128	-63.7	174.8	0	0	0	108.5	R1693	I697-R1693 VanDerWaalsContact CG2-NH2 3.27Å
698	K	23.6	Very low	23.4	Very low	176 Å²	176	142.1 Å²	142.1	77%	0.765	78%	0.776	S	S	*	*			trans	-12.7	109.7	133.9	-113.1	175.2	-173.8	-166.3	0	111.8
699	V	23.7	Very low	23.3	Very low	137 Å²	137	144.7 Å²	144.7	83%	0.83	78%	0.777	S	S	*	*			trans	-134.5	134.5	138.5	-177.2	0	0	0	0	108.6
700	P	24.2	Very low	23.3	Very low	110 Å²	110	150.3 Å²	150.3	71%	0.714	79%	0.787	S	S	*	*			trans	-77.4	133.6	-162.1	26.8	-0.1	0	0	0	111.7
701	L	23.3	Very low	23.1	Very low	166 Å²	166	152 Å²	152	87%	0.869	79%	0.791	S	S	*	*				0.5	0	129.9	-82.5	153.8	0	0	0	111.5
702	D	23.7	Very low	23.2	Very low	154 Å²	154	149.4 Å²	149.4	82%	0.824	79%	0.785	S	S	*	*				0	117.9	0	-90.9	-15.5	0	0	0	109.4
703	S	22.7	Very low	23.2	Very low	96 Å²	96	147.2 Å²	147.2	67%	0.671	78%	0.781	S	S	*	*				90.3	112.5	94.3	60.5	0	0	0	0	110.5
704	K	23.1	Very low	23.2	Very low	196 Å²	196	146 Å²	146	85%	0.852	77%	0.768	S	S	*	*				97.4	0	111.1	-81.7	-170.9	-179.7	177.9	0	110.4
705	S	22.6	Very low	23.2	Very low	114 Å²	114	148.3 Å²	148.3	80%	0.797	77%	0.771	S	S	*	*				0	107.5	0	60.7	0	0	0	0	109.8
706	S	22.6	Very low	23.2	Very low	111 Å²	111	147.9 Å²	147.9	78%	0.776	77%	0.766	S	S	*	*				49.4	0	113.6	-171.3	0	0	0	0	111.1
707	L	21.6	Very low	23.3	Very low	148 Å²	148	149.7 Å²	149.7	78%	0.775	77%	0.771	S	S	*	*				0	112.9	0	-89.1	164.5	0	0	0	109.1
708	R	21.3	Very low	23.4	Very low	218 Å²	218	146.3 Å²	146.3	82%	0.823	77%	0.771	S	S	*	*				51	0	112.1	-89.1	-164.8	-159.5	-160.2	-0.6	110.9
709	H	22.7	Very low	23.5	Very low	152 Å²	152	149.3 Å²	149.3	70%	0.704	78%	0.779	S	S	*	*				0	114.3	0	-102.6	-78.4	0	0	0	109.5
710	R	21.7	Very low	23.4	Very low	220 Å²	220	148 Å²	148	83%	0.83	77%	0.771	S	S	*	*				69.9	0	108.3	-97.8	-169.3	161.1	-170.9	0.6	110.4
711	L	21.8	Very low	23.4	Very low	154 Å²	154	152 Å²	152	81%	0.806	78%	0.777	S	S	*	*				0	0	0	-93.6	150.6	0	0	0	108.9
712	S	22.8	Very low	23.4	Very low	93 Å²	93	152.3 Å²	152.3	65%	0.65	77%	0.774	S	S	*	*				0	125.8	0	136.7	0	0	0	0	111.7
713	I	23.9	Very low	23.3	Very low	145 Å²	145	152.1 Å²	152.1	74%	0.744	77%	0.77	S	S	*	*			trans	-151.5	0	133.9	-67.3	174.1	0	0	0	108.2
714	T	24.5	Very low	23.4	Very low	108 Å²	108	157 Å²	157	66%	0.663	78%	0.779	S	S	*	*				0	0	0	-35.1	0	0	0	0	111.3
715	I	23.7	Very low	23.4	Very low	148 Å²	148	154 Å²	154	76%	0.759	77%	0.772	S	S	*	*				0	0	0	-64.7	177.9	0	0	0	108.2
716	K	27.5	Very low	23.4	Very low	187 Å²	187	155 Å²	155	81%	0.813	77%	0.768	S	S	*	*				0	0	0	-94.5	-172.4	-178.9	-178.2	0	109.8
717	Q	25.2	Very low	23.5	Very low	168 Å²	168	158 Å²	158	79%	0.785	76%	0.764	S	S	*	*				0	0	0	-87.7	-175.6	-1.7	0	0	111.6
718	G	25.1	Very low	23.6	Very low	71 Å²	71	158.8 Å²	158.8	73%	0.732	76%	0.763	S	S	*	*				0	94.8	0	0	0	0	0	0	109.8
719	Y	25.1	Very low	23.8	Very low	239 Å²	239	151.1 Å²	151.1	94%	0.937	75%	0.752	S	S	*	*				175.1	0	115	-110	-90.1	0	0	0	109
720	V	23	Very low	23.8	Very low	109 Å²	109	148.7 Å²	148.7	66%	0.661	75%	0.752	S	S	*	*				0	0	0	178.1	0	0	0	0	110.3
721	K	23	Very low	24	Very low	194 Å²	194	146.3 Å²	146.3	84%	0.843	75%	0.751	S	S	*	*				0	0	0	-124.7	175.5	-177.5	179.5	0	109.9
722	Q	23.4	Very low	24	Very low	174 Å²	174	145.4 Å²	145.4	81%	0.813	75%	0.745	S	S	*	*				0	85.3	0	-106	175.4	3.7	0	0	109.5
723	M	22.2	Very low	24.1	Very low	149 Å²	149	144.1 Å²	144.1	73%	0.734	73%	0.73	S	S	*	*				139	0	108.7	-96.4	-156.7	-145.6	0	0	109.5
724	K	24.8	Very low	24.1	Very low	199 Å²	199	143 Å²	143	87%	0.865	72%	0.722	S	S	*	*	S	Bend		0	88.5	0	-125.3	179.3	-178.3	175.8	0	111.7
725	N	23.2	Very low	24	Very low	132 Å²	132	142.7 Å²	142.7	71%	0.706	71%	0.713	S	S	*	*			trans	158.9	87.1	150.7	-86.9	-18.2	0	0	0	109.6
726	L	23.3	Very low	24.1	Very low	137 Å²	137	141.3 Å²	141.3	72%	0.717	71%	0.712	S	S	*	*			trans	158.7	89.8	138.2	-79.1	166	0	0	0	109.3
727	Y	23.2	Very low	24.2	Very low	174 Å²	174	139.2 Å²	139.2	68%	0.682	71%	0.708	S	S	*	*				96.5	93.4	109.9	-108.4	-90.4	0	0	0	110
728	E	24.1	Very low	24.2	Very low	163 Å²	163	136.5 Å²	136.5	76%	0.762	71%	0.705	S	S	*	*				73.1	96.1	107.9	-97.2	-179.7	178.7	0	0	110.6
729	G	25.5	Very low	24.2	Very low	57 Å²	57	138.5 Å²	138.5	59%	0.588	70%	0.703	S	S	*	*			trans	144.1	88.9	130.3	0	0	0	0	0	110
730	S	23.5	Very low	24.2	Very low	101 Å²	101	132.1 Å²	132.1	71%	0.706	69%	0.693	S	S	*	*				82.1	108.2	107.8	26.3	0	0	0	0	110.4
731	E	24.5	Very low	24.3	Very low	171 Å²	171	138 Å²	138	80%	0.799	70%	0.703	S	S	*	*				124.8	0	110.3	-106.4	-179	178.4	0	0	109.8
732	I	23.1	Very low	24.4	Very low	134 Å²	134	132.7 Å²	132.7	69%	0.687	69%	0.691	S	S	*	*				0	0	0	-59	173.4	0	0	0	109.7	V1754	I732-V1754 HydrophobicContact CG2-CG2 4.29Å
733	I	24	Very low	24.6	Very low	67 Å²	67	131 Å²	131	34%	0.344	69%	0.688	S	S	.	*				0	0	0	-63.1	174.5	0	0	0	108.1	K1752 T1753 V1754	I733-K1752 VanDerWaalsContact C-CA 3.44Å; I733-K1752 HydrophobicContact CB-CB 4.19Å; I733-K1752 HydrophobicContact CB-CG 3.48Å; I733-K1752 VanDerWaalsContact CB-CG 3.48Å; I733-K1752 HydrophobicContact CD1-CG 4.28Å; I733-K1752 HydrophobicContact CG2-CB 3.13Å; I733-K1752 HydrophobicContact CG2-CD 4.12Å; I733-K1752 HydrophobicContact CG2-CG 2.9Å; I733-K1752 WeakPolarHBondContact O-CA 3.21Å; I733-K1752 PolarHBondContact O-N 2.71Å; I733-T1753 HydrophobicContact CB-CG2 4.13Å; I733-T1753 HydrophobicContact CD1-CG2 4.36Å; I733-T1753 HydrophobicContact CG2-CG2 2.67Å; I733-V1754 HydrophobicContact CB-CG2 4.05Å; I733-V1754 HydrophobicContact CD1-CG2 4.02Å; I733-V1754 HydrophobicContact CG1-CG2 3.4Å; I733-V1754 VanDerWaalsContact CG1-CG2 3.4Å; I733-V1754 HydrophobicContact CG2-CG2 3.76Å
734	Q	23.9	Very low	24.8	Very low	122 Å²	122	128 Å²	128	57%	0.57	68%	0.681	S	S	*	*				0	0	0	-117.3	161.9	-19.9	0	0	111.4	K1752 T1753 V1754	Q734-K1752 CarbonylContact C-O 3.53Å; Q734-K1752 VanDerWaalsContact CA-C 3.43Å; Q734-K1752 CarbonylContact O-C 3.4Å; Q734-K1752 CovalentContact O-C 1.2Å; Q734-K1752 WeakPolarHBondContact O-CA 3.26Å; Q734-K1752 WeakPolarHBondContact O-CB 3.27Å; Q734-K1752 PolarHBondContact O-N 3.11Å; Q734-T1753 VanDerWaalsContact CB-O 3.3Å; Q734-T1753 WeakPolarHBondContact CB-O 3.03Å; Q734-T1753 WeakPolarHBondContact O-CA 2.94Å; Q734-T1753 PolarHBondContact O-N 2.96Å; Q734-V1754 VanDerWaalsContact OE1-CA 3.29Å
735	E	23.6	Very low	24.8	Very low	100 Å²	100	123.8 Å²	123.8	47%	0.467	67%	0.672	S	S	.	*				0	0	0	-101.3	-176.5	178.6	0	0	110	Q1751 K1752 T1753	E735-Q1751 CarbonylContact O-C 3.08Å; E735-K1752 CarbonylContact C-O 3.58Å; E735-K1752 WeakPolarHBondContact CA-O 2.98Å; E735-K1752 WeakPolarHBondContact CB-O 3.03Å; E735-K1752 WeakPolarHBondContact CG-O 2.85Å; E735-K1752 VanDerWaalsContact N-CA 3.31Å; E735-K1752 PolarHBondContact N-O 3.15Å; E735-K1752 PolarHBondContact O-N 2.42Å; E735-K1752 VanDerWaalsContact O-N 3.15Å; E735-T1753 WeakPolarHBondContact CB-OG1 2.19Å; E735-T1753 WeakPolarHBondContact CG-O 3.47Å; E735-T1753 WeakPolarHBondContact OE2-CB 3.15Å; E735-T1753 PolarHBondContact OE2-OG1 3.14Å
736	T	24.5	Very low	24.9	Very low	120 Å²	120	122.8 Å²	122.8	74%	0.736	67%	0.671	S	S	*	*				0	0	0	-18.1	0	0	0	0	109	K1752	T736-K1752 PolarHBondContact OG1-O 3.01Å
737	I	29.6	Very low	24.9	Very low	143 Å²	143	119.9 Å²	119.9	73%	0.733	66%	0.662	S	S	*	*				0	148.4	0	-57.2	173.1	0	0	0	110.2	T739	I737-T739 HydrophobicContact CG2-CG2 4.17Å
738	P	25.4	Very low	25	Very low	111 Å²	111	118.9 Å²	118.9	72%	0.721	67%	0.668	S	S	*	*				-135.8	122.9	109.2	29.5	-2.2	0	0	0	111.5
739	T	24.6	Very low	25	Very low	112 Å²	112	118.1 Å²	118.1	69%	0.687	67%	0.668	S	S	*	*				71.6	110	87.2	44.7	0	0	0	0	109.6	I737	I737-T739 HydrophobicContact CG2-CG2 4.17Å
740	S	25.5	Very low	24.8	Very low	105 Å²	105	120.2 Å²	120.2	73%	0.734	67%	0.673	S	S	*	*				167.4	100	110.2	59	0	0	0	0	109.3
741	R	25.2	Very low	24.9	Very low	232 Å²	232	121.9 Å²	121.9	88%	0.875	67%	0.673	S	S	*	*				113.7	104.2	96.4	-117	175.1	163.7	168.7	-0.3	110.1
742	S	25.2	Very low	24.9	Very low	84 Å²	84	119.7 Å²	119.7	59%	0.587	67%	0.668	S	S	*	*				105.4	106.5	96.5	52.1	0	0	0	0	110
743	D	28.6	Very low	24.9	Very low	138 Å²	138	120.9 Å²	120.9	74%	0.738	67%	0.674	S	S	*	*				144.6	103.1	105.1	-86.8	-17.6	0	0	0	109.6
744	S	25.8	Very low	25	Very low	86 Å²	86	122.2 Å²	122.2	60%	0.601	69%	0.687	S	S	*	*				89.1	107.4	83.8	79.7	0	0	0	0	110.5
745	V	24.4	Very low	25	Very low	110 Å²	110	120.3 Å²	120.3	67%	0.667	69%	0.692	S	S	*	*				123	104.6	100.5	177.1	0	0	0	0	108.7
746	V	24.7	Very low	25	Very low	112 Å²	112	120.2 Å²	120.2	68%	0.679	70%	0.703	S	S	*	*				115.3	107.6	99.8	178.6	0	0	0	0	108.7
747	S	24.7	Very low	25	Very low	76 Å²	76	118.8 Å²	118.8	53%	0.531	70%	0.698	S	S	.	*				102.3	105.2	95.2	4.5	0	0	0	0	110.1
748	N	23.8	Very low	24.8	Very low	152 Å²	152	118.6 Å²	118.6	81%	0.813	70%	0.698	S	S	*	*				37.4	107.6	107.7	-83.1	-20.2	0	0	0	111.6
749	I	25.1	Very low	24.8	Very low	147 Å²	147	118.5 Å²	118.5	75%	0.754	70%	0.696	S	S	*	*			trans	174.2	99.2	140.4	-67.9	171.7	0	0	0	108	L751	I749-L751 HydrophobicContact CG2-CD1 4.49Å
750	S	22.2	Very low	25	Very low	101 Å²	101	119.4 Å²	119.4	71%	0.706	70%	0.702	S	S	*	*				56.3	105.4	101	-72.7	0	0	0	0	110.9
751	L	24.5	Very low	25.1	Very low	136 Å²	136	118.3 Å²	118.3	71%	0.712	71%	0.706	S	S	*	*			trans	145.7	103	133	-79.4	164.5	0	0	0	109.2	I749	I749-L751 HydrophobicContact CG2-CD1 4.49Å
752	N	24.2	Very low	25.6	Very low	126 Å²	126	112.9 Å²	112.9	67%	0.674	70%	0.701	S	S	*	*				66.9	96	101	-89.2	-25.9	0	0	0	111
753	L	24.3	Very low	25.7	Very low	158 Å²	158	114 Å²	114	83%	0.827	71%	0.708	S	S	*	*			trans	127.7	136.3	134.9	-117.3	88.2	0	0	0	109.6
754	P	25.3	Very low	25.8	Very low	95 Å²	95	115 Å²	115	62%	0.617	71%	0.713	S	S	*	*				-119.6	136.8	-106.5	34.3	-5.3	0	0	0	112
755	A	24.3	Very low	26.2	Very low	82 Å²	82	122.1 Å²	122.1	68%	0.678	73%	0.727	S	S	*	*			trans	123.4	103.1	139.9	0	0	0	0	0	109.6
756	S	23.6	Very low	26.6	Very low	99 Å²	99	121.6 Å²	121.6	69%	0.692	73%	0.726	S	S	*	*				66.8	107.6	106.3	64.9	0	0	0	0	110.7
757	S	25.2	Very low	26.8	Very low	90 Å²	90	121.3 Å²	121.3	63%	0.629	72%	0.724	S	S	*	*				127.8	108.8	115.7	57.4	0	0	0	0	109.7
758	N	24.4	Very low	26.9	Very low	138 Å²	138	125.6 Å²	125.6	74%	0.738	74%	0.736	S	S	*	*				98.1	107.6	103.2	-88.5	-5.5	0	0	0	110.4
759	T	25.4	Very low	27.1	Very low	110 Å²	110	123.2 Å²	123.2	68%	0.675	73%	0.727	S	S	*	*				130.1	0	105.7	9.4	0	0	0	0	109.4
760	T	27.8	Very low	27.3	Very low	131 Å²	131	121.8 Å²	121.8	80%	0.804	73%	0.725	S	S	*	*				0	0	0	41.1	0	0	0	0	109.1
761	G	29	Very low	27.6	Very low	81 Å²	81	122.3 Å²	122.3	84%	0.835	73%	0.729	S	S	*	*				0	0	0	0	0	0	0	0	111.4
762	P	35.9	Very low	28	Very low	118 Å²	118	121 Å²	121	77%	0.766	73%	0.729	S	S	*	*				0	0	0	33.8	-5.1	0	0	0	112.1
763	C	25.7	Very low	28.4	Very low	109 Å²	109	120.6 Å²	120.6	74%	0.736	73%	0.732	S	S	*	*				0	0	0	-66.4	0	0	0	0	109.4
764	D	31.9	Very low	28.6	Very low	158 Å²	158	117.4 Å²	117.4	85%	0.845	73%	0.729	S	S	*	*				0	0	0	-90.7	-21.6	0	0	0	109.3
765	R	33	Very low	28.8	Very low	236 Å²	236	118.1 Å²	118.1	89%	0.891	74%	0.736	S	S	*	*				0	154.4	0	-103.1	-177.9	-173.2	-169.1	-0.1	111.2
766	P	33.7	Very low	28.9	Very low	98 Å²	98	119.1 Å²	119.1	64%	0.636	74%	0.738	S	S	*	*			cis	-154.7	146	-19.6	34.5	-6	0	0	0	112.2
767	V	29.1	Very low	29	Very low	106 Å²	106	118.7 Å²	118.7	64%	0.642	74%	0.735	S	S	*	*				136.9	114.5	104.2	176.2	0	0	0	0	108.2
768	E	27.3	Very low	28.9	Very low	166 Å²	166	120.8 Å²	120.8	78%	0.776	74%	0.739	S	S	*	*				112.6	109.3	99.4	-104.8	178.6	-179.9	0	0	109.9
769	T	27.6	Very low	28.9	Very low	103 Å²	103	118.9 Å²	118.9	63%	0.632	74%	0.736	S	S	*	*				90.1	109.5	84.6	24.4	0	0	0	0	110
770	T	28.7	Very low	28.9	Very low	117 Å²	117	118.8 Å²	118.8	72%	0.718	74%	0.74	S	S	*	*				107.2	0	87.7	37.5	0	0	0	0	109.7
771	S	29.2	Very low	28.8	Very low	111 Å²	111	118 Å²	118	78%	0.776	74%	0.738	S	S	*	*				0	143.3	0	49.6	0	0	0	0	110.1
772	P	31.6	Very low	28.5	Very low	110 Å²	110	120 Å²	120	71%	0.714	73%	0.733	S	S	*	*			trans	-114.7	0	-132.8	34.5	-5.5	0	0	0	112
773	P	34	Very low	27.9	Very low	116 Å²	116	118.1 Å²	118.1	75%	0.753	72%	0.722	S	S	*	*				0	156.2	0	33.9	-5.6	0	0	0	112
774	A	28.1	Very low	27.8	Very low	91 Å²	91	118.6 Å²	118.6	75%	0.752	72%	0.718	S	S	*	*				110.5	0	121.5	0	0	0	0	0	109.9
775	S	29.3	Very low	27.4	Very low	111 Å²	111	113.3 Å²	113.3	78%	0.776	69%	0.689	S	S	*	*				0	117.3	0	52.6	0	0	0	0	109.7
776	S	27.3	Very low	26.9	Very low	102 Å²	102	104 Å²	104	71%	0.713	66%	0.657	S	S	*	*				77.9	114.3	107.5	52	0	0	0	0	110.6
777	S	24.8	Very low	26.6	Very low	90 Å²	90	106.9 Å²	106.9	63%	0.629	66%	0.662	S	S	*	*				107.5	113.9	127.3	54.2	0	0	0	0	110.2
778	L	23.9	Very low	26.5	Very low	134 Å²	134	103.7 Å²	103.7	70%	0.702	64%	0.643	S	S	*	*				89	103.8	119.2	-98.4	117.3	0	0	0	110
779	S	24	Very low	26.3	Very low	99 Å²	99	97.5 Å²	97.5	69%	0.692	62%	0.616	S	S	*	*				102.8	0	122.2	57.5	0	0	0	0	110.1
780	S	24.4	Very low	26.2	Very low	108 Å²	108	100.4 Å²	100.4	76%	0.755	62%	0.615	S	S	*	*				0	143.7	0	39.5	0	0	0	0	111
781	P	26.1	Very low	26.6	Very low	115 Å²	115	102.8 Å²	102.8	75%	0.747	62%	0.618	S	S	*	*				-175.5	143.2	83	33.7	-4.4	0	0	0	112.2
782	V	22.8	Very low	26.6	Very low	122 Å²	122	104.8 Å²	104.8	74%	0.739	62%	0.62	S	S	*	*				91.9	116.5	98.5	-179.7	0	0	0	0	109
783	S	22.9	Very low	26.2	Very low	78 Å²	78	103.5 Å²	103.5	55%	0.545	61%	0.61	S	S	.	*				69.4	108.5	114.7	55.8	0	0	0	0	110.9
784	N	24.5	Very low	25.9	Very low	120 Å²	120	103.2 Å²	103.2	64%	0.642	61%	0.606	S	S	*	*				162.7	103.8	127.4	-108.3	-11.2	0	0	0	110.1	S1183	N784-S1183 PolarHBondContact OD1-OG 2.83Å
785	I	22.3	Very low	25.7	Very low	47 Å²	47	102.5 Å²	102.5	24%	0.241	59%	0.592	C	S	.	*				77.6	101	100.2	-66.5	168.6	0	0	0	109.1	G1180 Y1181 S1183 I1184	I785-G1180 VanDerWaalsContact C-C 3.47Å; I785-G1180 CarbonylContact C-O 1.57Å; I785-Y1181 HydrophobicContact CB-CD1 3.43Å; I785-Y1181 VanDerWaalsContact CB-CD1 3.43Å; I785-Y1181 HydrophobicContact CB-CE1 3.84Å; I785-Y1181 HydrophobicContact CB-CG 4.41Å; I785-Y1181 HydrophobicContact CG1-CD1 4.24Å; I785-Y1181 HydrophobicContact CG2-CD1 1.98Å; I785-Y1181 HydrophobicContact CG2-CD2 4.22Å; I785-Y1181 HydrophobicContact CG2-CE1 2.35Å; I785-Y1181 HydrophobicContact CG2-CE2 4.41Å; I785-Y1181 HydrophobicContact CG2-CG 3.17Å; I785-S1183 WeakPolarHBondContact CD1-OG 2.86Å; I785-S1183 WeakPolarHBondContact CG1-OG 3.08Å; I785-I1184 HydrophobicContact CD1-CD1 3.1Å; I785-I1184 HydrophobicContact CD1-CG1 3.7Å; I785-I1184 HydrophobicContact CG1-CD1 4.4Å
786	N	22.3	Very low	25.6	Very low	39 Å²	39	103.7 Å²	103.7	21%	0.209	59%	0.59	C	S	.	*				96.5	90.1	118.9	-93.6	-8.9	0	0	0	109.9	G1180 Y1181	N786-G1180 CarbonylContact C-O 3.5Å; N786-G1180 CovalentContact CA-O 0.42Å; N786-G1180 WeakPolarHBondContact CA-O 3.39Å; N786-G1180 WeakPolarHBondContact CB-O 2.9Å; N786-G1180 PolarHBondContact N-O 2.97Å; N786-G1180 PolarHBondContact OD1-O 3.09Å; N786-Y1181 HydrophobicContact CB-CD1 2.43Å; N786-Y1181 HydrophobicContact CB-CD2 1.98Å; N786-Y1181 HydrophobicContact CB-CE1 2.81Å; N786-Y1181 HydrophobicContact CB-CE2 2.43Å; N786-Y1181 HydrophobicContact CB-CG 1.97Å; N786-Y1181 VanDerWaalsContact CG-C 3.41Å; N786-Y1181 CovalentContact CG-CG 0.86Å; N786-Y1181 WeakPolarHBondContact ND2-CA 3.36Å; N786-Y1181 CovalentContact ND2-CB 1.66Å; N786-Y1181 WeakPolarHBondContact ND2-CB 3.02Å; N786-Y1181 WeakPolarHBondContact ND2-CD1 3.22Å; N786-Y1181 WeakPolarHBondContact ND2-CD2 3.27Å; N786-Y1181 WeakPolarHBondContact ND2-CE1 3.14Å; N786-Y1181 WeakPolarHBondContact ND2-CE2 2.96Å; N786-Y1181 CovalentContact ND2-CG 0.58Å; N786-Y1181 CovalentContact OD1-CA 1.22Å; N786-Y1181 WeakPolarHBondContact OD1-CA 3.39Å; N786-Y1181 CovalentContact OD1-CB 1.17Å; N786-Y1181 WeakPolarHBondContact OD1-CB 3.11Å; N786-Y1181 WeakPolarHBondContact OD1-CD1 3.42Å; N786-Y1181 WeakPolarHBondContact OD1-CD2 3.46Å; N786-Y1181 PolarHBondContact OD1-N 3.09Å; N786-Y1181 PolarHBondContact OD1-O 2.94Å
787	E	28.6	Very low	25.6	Very low	159 Å²	159	102.3 Å²	102.3	74%	0.743	57%	0.569	S	S	*	*			trans	177.6	80.6	149.5	-119.4	164.1	-174.9	0	0	109.3	I1178 S1179 G1180	E787-I1178 CarbonylContact C-O 3.55Å; E787-I1178 WeakPolarHBondContact CG-O 3.11Å; E787-S1179 CarbonylContact C-O 1.65Å; E787-S1179 WeakPolarHBondContact CA-O 3.41Å; E787-S1179 PolarHBondContact N-O 2.96Å; E787-S1179 CarbonylContact O-C 3.18Å; E787-G1180 PolarHBondContact N-O 2.86Å
788	T	26.2	Very low	25.8	Very low	39 Å²	39	100.4 Å²	100.4	24%	0.239	56%	0.556	C	S	.	*				79.2	86.8	83.4	31.1	0	0	0	0	110.1	I1178 S1179 G1180	T788-I1178 VanDerWaalsContact C-CB 3.49Å; T788-I1178 CarbonylContact C-O 3.6Å; T788-I1178 VanDerWaalsContact CA-CG2 3.41Å; T788-I1178 WeakPolarHBondContact CA-O 2.53Å; T788-I1178 WeakPolarHBondContact CB-O 3.42Å; T788-I1178 VanDerWaalsContact CG2-CA 3.42Å; T788-I1178 WeakPolarHBondContact CG2-O 3.11Å; T788-I1178 CarbonylContact O-C 3.36Å; T788-I1178 WeakPolarHBondContact O-CG2 3.39Å; T788-I1178 PolarHBondContact OG1-O 3.44Å; T788-S1179 VanDerWaalsContact C-CA 3.47Å; T788-S1179 CarbonylContact C-O 2.48Å; T788-S1179 WeakPolarHBondContact CA-O 3.48Å; T788-S1179 WeakPolarHBondContact CA-OG 3.19Å; T788-S1179 CovalentContact CB-N 1.02Å; T788-S1179 WeakPolarHBondContact CB-O 2.63Å; T788-S1179 VanDerWaalsContact CB-OG 3.26Å; T788-S1179 WeakPolarHBondContact CB-OG 3.4Å; T788-S1179 CovalentContact CG2-CA 1.27Å; T788-S1179 CovalentContact CG2-N 1.09Å; T788-S1179 WeakPolarHBondContact CG2-O 3.23Å; T788-S1179 WeakPolarHBondContact CG2-OG 2.52Å; T788-S1179 VanDerWaalsContact N-N 3.17Å; T788-S1179 CovalentContact N-O 0.42Å; T788-S1179 PolarHBondContact N-O 3.42Å; T788-S1179 PolarHBondContact N-OG 3.38Å; T788-S1179 VanDerWaalsContact O-O 3.05Å; T788-S1179 WeakPolarHBondContact OG1-CA 3.12Å; T788-S1179 PolarHBondContact OG1-N 3.06Å; T788-S1179 PolarHBondContact OG1-O 2.8Å; T788-G1180 VanDerWaalsContact CB-N 3.27Å; T788-G1180 PolarHBondContact OG1-N 2.71Å
789	V	23.9	Very low	26.1	Very low	36 Å²	36	101 Å²	101	22%	0.218	56%	0.56	C	S	.	*				109.4	66.7	119.8	177	0	0	0	0	108.8	I1178 S1179	V789-I1178 HydrophobicContact CB-CB 1.61Å; V789-I1178 HydrophobicContact CB-CD1 3.14Å; V789-I1178 HydrophobicContact CB-CG1 2.6Å; V789-I1178 HydrophobicContact CB-CG2 0.04Å; V789-I1178 WeakPolarHBondContact CB-O 3.44Å; V789-I1178 HydrophobicContact CG1-CB 1.88Å; V789-I1178 HydrophobicContact CG1-CD1 1.71Å; V789-I1178 HydrophobicContact CG1-CG1 1.77Å; V789-I1178 HydrophobicContact CG1-CG2 1.6Å; V789-I1178 HydrophobicContact CG2-CB 1.88Å; V789-I1178 HydrophobicContact CG2-CD1 3.89Å; V789-I1178 HydrophobicContact CG2-CG1 2.75Å; V789-I1178 CovalentContact CG2-CG2 1.55Å; V789-I1178 HydrophobicContact CG2-CG2 1.55Å; V789-I1178 VanDerWaalsContact CG2-N 3.27Å; V789-I1178 WeakPolarHBondContact CG2-O 3.29Å; V789-I1178 WeakPolarHBondContact O-CG2 3.29Å; V789-S1179 WeakPolarHBondContact CA-OG 3.45Å; V789-S1179 VanDerWaalsContact CB-OG 3.24Å; V789-S1179 WeakPolarHBondContact CB-OG 3.45Å; V789-S1179 WeakPolarHBondContact CG2-OG 3.27Å; V789-S1179 PolarHBondContact N-O 3.31Å; V789-S1179 VanDerWaalsContact N-O 3.09Å; V789-S1179 PolarHBondContact N-OG 3.07Å
790	R	26.3	Very low	26.5	Very low	164 Å²	164	99.5 Å²	99.5	62%	0.619	54%	0.544	S	S	*	.	S	Bend	trans	154.1	72.1	156	-100.6	-171.9	-156.4	110.8	-0.6	109.3	N1177 I1178	R790-N1177 PolarHBondContact NH2-OD1 3.2Å; R790-I1178 HydrophobicContact CG-CD1 4.36Å
791	E	35.2	Very low	27	Very low	167 Å²	167	99.3 Å²	99.3	78%	0.78	54%	0.54	S	S	*	.				136.4	0	106.4	-122.9	177	178.6	0	0	109.5
792	L	30.7	Very low	27.2	Very low	154 Å²	154	100.1 Å²	100.1	81%	0.806	53%	0.534	S	S	*	.				0	0	0	-86	149.1	0	0	0	110.7
793	V	23.5	Very low	27.5	Very low	83 Å²	83	98 Å²	98	50%	0.503	52%	0.517	S	S	.	.				0	88.3	0	179.5	0	0	0	0	108.3
794	T	26.1	Very low	28.1	Very low	110 Å²	110	97.3 Å²	97.3	68%	0.675	51%	0.507	S	S	*	.			trans	161.3	0	147.8	52.9	0	0	0	0	109.2
795	T	25.1	Very low	28.5	Very low	76 Å²	76	94.1 Å²	94.1	47%	0.466	50%	0.497	S	S	.	.				0	90	0	45.4	0	0	0	0	110.4
796	D	27.3	Very low	29.1	Very low	136 Å²	136	93.9 Å²	93.9	73%	0.727	51%	0.506	S	S	*	.			trans	-114.8	0	158.1	-93.4	-11.6	0	0	0	109.6	S798	D796-S798 PolarHBondContact O-N 3.44Å
797	W	27.8	Very low	29.6	Very low	72 Å²	72	94.3 Å²	94.3	27%	0.273	52%	0.515	S	S	.	.	S	Bend		0	0	0	-64.1	78.3	0	0	0	111.3	D799 M803 I804 A807	W797-D799 PolarHBondContact O-N 3.42Å; W797-M803 VanDerWaalsContact CZ3-C 3.4Å; W797-M803 WeakPolarHBondContact CZ3-O 3.33Å; W797-I804 VanDerWaalsContact CA-CD1 3.5Å; W797-I804 HydrophobicContact CB-CB 3.05Å; W797-I804 HydrophobicContact CB-CD1 2.34Å; W797-I804 CovalentContact CB-CG1 1.64Å; W797-I804 HydrophobicContact CB-CG1 1.64Å; W797-I804 HydrophobicContact CB-CG2 3.8Å; W797-I804 HydrophobicContact CD2-CB 3.16Å; W797-I804 HydrophobicContact CD2-CD1 4.22Å; W797-I804 HydrophobicContact CD2-CG1 2.93Å; W797-I804 HydrophobicContact CD2-CG2 3.39Å; W797-I804 HydrophobicContact CE3-CB 3.33Å; W797-I804 HydrophobicContact CE3-CG1 3.36Å; W797-I804 HydrophobicContact CE3-CG2 3.95Å; W797-I804 HydrophobicContact CG-CB 3.07Å; W797-I804 HydrophobicContact CG-CD1 3.16Å; W797-I804 HydrophobicContact CG-CG1 2.24Å; W797-I804 HydrophobicContact CG-CG2 3.31Å; W797-I804 WeakPolarHBondContact CH2-O 3.38Å; W797-I804 VanDerWaalsContact CZ3-C 3.4Å; W797-I804 HydrophobicContact CZ3-CB 4.29Å; W797-I804 WeakPolarHBondContact CZ3-O 2.8Å; W797-A807 HydrophobicContact CE3-CB 3.74Å; W797-A807 HydrophobicContact CH2-CB 2.19Å; W797-A807 HydrophobicContact CZ2-CB 3.4Å; W797-A807 HydrophobicContact CZ3-CB 2.44Å
798	S	27.6	Very low	30.5	Very low	51 Å²	51	89.1 Å²	89.1	36%	0.357	50%	0.496	S	S	.	.				0	81.2	0	149.3	0	0	0	0	111.6	D796 D800 M803	D796-S798 PolarHBondContact O-N 3.44Å; S798-D800 CarbonylContact O-C 3.26Å; S798-D800 WeakPolarHBondContact O-CA 3.44Å; S798-D800 PolarHBondContact O-N 3.32Å; S798-D800 WeakPolarHBondContact OG-CA 3.14Å; S798-D800 WeakPolarHBondContact OG-CB 3.48Å; S798-D800 PolarHBondContact OG-N 3.33Å; S798-M803 WeakPolarHBondContact CB-SD 3.38Å; S798-M803 WeakPolarHBondContact OG-CE 3.36Å
799	D	31	Very low	31.5	Very low	146 Å²	146	94.1 Å²	94.1	78%	0.781	52%	0.515	S	S	*	.	S	Bend	trans	-12.8	0	167.8	-72.5	-25.9	0	0	0	111.5	W797 P801	W797-D799 PolarHBondContact O-N 3.42Å; D799-P801 VanDerWaalsContact O-CD 3.23Å; D799-P801 WeakPolarHBondContact O-CD 3.09Å
800	D	31.2	Very low	33	Very low	68 Å²	68	96.2 Å²	96.2	36%	0.364	52%	0.522	S	S	.	.				0	95.5	0	-162.5	-8.9	0	0	0	110.3	S798 E802 M803	S798-D800 CarbonylContact O-C 3.26Å; S798-D800 WeakPolarHBondContact O-CA 3.44Å; S798-D800 PolarHBondContact O-N 3.32Å; S798-D800 WeakPolarHBondContact OG-CA 3.14Å; S798-D800 WeakPolarHBondContact OG-CB 3.48Å; S798-D800 PolarHBondContact OG-N 3.33Å; D800-E802 PolarHBondContact O-N 3.41Å; D800-E802 WeakPolarHBondContact OD1-CB 2.95Å; D800-E802 PolarHBondContact OD1-N 3.36Å; D800-M803 HydrophobicContact CB-CB 4Å; D800-M803 PolarHBondContact O-N 3.1Å
801	P	35.3	Very low	34.4	Very low	104 Å²	104	89.6 Å²	89.6	68%	0.675	50%	0.503	S	S	*	.	H	α-helix	trans	-40	-12	175.8	3.8	-3.4	0	0	0	111.7	D799 A805	D799-P801 VanDerWaalsContact O-CD 3.23Å; D799-P801 WeakPolarHBondContact O-CD 3.09Å; P801-A805 WeakPolarHBondContact O-CB 3.03Å
802	E	30.1	Very low	35.6	Very low	132 Å²	132	82.1 Å²	82.1	62%	0.617	47%	0.47	S	S	*	.	H	α-helix	trans	-98.5	0	-174.3	-93.4	-179.7	-179.4	0	0	111	D800 G806	D800-E802 PolarHBondContact O-N 3.41Å; D800-E802 WeakPolarHBondContact OD1-CB 2.95Å; D800-E802 PolarHBondContact OD1-N 3.36Å; E802-G806 PolarHBondContact O-N 2.97Å
803	M	29.1	Very low	37.2	Very low	76 Å²	76	78.3 Å²	78.3	37%	0.374	45%	0.453	S	S	.	.	H	α-helix		0	-26.6	0	-153.7	-166.1	49.5	0	0	110.9	W797 S798 D800 A805 G806 A807	W797-M803 VanDerWaalsContact CZ3-C 3.4Å; W797-M803 WeakPolarHBondContact CZ3-O 3.33Å; S798-M803 WeakPolarHBondContact CB-SD 3.38Å; S798-M803 WeakPolarHBondContact OG-CE 3.36Å; D800-M803 HydrophobicContact CB-CB 4Å; D800-M803 PolarHBondContact O-N 3.1Å; M803-A805 VanDerWaalsContact C-N 3.26Å; M803-A805 PolarHBondContact O-N 2.8Å; M803-G806 PolarHBondContact O-N 3.07Å; M803-A807 PolarHBondContact O-N 3.33Å
804	I	35.7	Very low	39.2	Very low	64 Å²	64	78.4 Å²	78.4	33%	0.328	45%	0.448	S	S	.	.	H	α-helix	trans	-76.4	-23.8	171.4	-66	175.1	0	0	0	109	W797 S808	W797-I804 VanDerWaalsContact CA-CD1 3.5Å; W797-I804 HydrophobicContact CB-CB 3.05Å; W797-I804 HydrophobicContact CB-CD1 2.34Å; W797-I804 CovalentContact CB-CG1 1.64Å; W797-I804 HydrophobicContact CB-CG1 1.64Å; W797-I804 HydrophobicContact CB-CG2 3.8Å; W797-I804 HydrophobicContact CD2-CB 3.16Å; W797-I804 HydrophobicContact CD2-CD1 4.22Å; W797-I804 HydrophobicContact CD2-CG1 2.93Å; W797-I804 HydrophobicContact CD2-CG2 3.39Å; W797-I804 HydrophobicContact CE3-CB 3.33Å; W797-I804 HydrophobicContact CE3-CG1 3.36Å; W797-I804 HydrophobicContact CE3-CG2 3.95Å; W797-I804 HydrophobicContact CG-CB 3.07Å; W797-I804 HydrophobicContact CG-CD1 3.16Å; W797-I804 HydrophobicContact CG-CG1 2.24Å; W797-I804 HydrophobicContact CG-CG2 3.31Å; W797-I804 WeakPolarHBondContact CH2-O 3.38Å; W797-I804 VanDerWaalsContact CZ3-C 3.4Å; W797-I804 HydrophobicContact CZ3-CB 4.29Å; W797-I804 WeakPolarHBondContact CZ3-O 2.8Å; I804-S808 WeakPolarHBondContact O-CB 3.13Å; I804-S808 PolarHBondContact O-N 3.3Å; I804-S808 PolarHBondContact O-OG 2.93Å
805	A	33.6	Very low	41.2	Very low	54 Å²	54	73.2 Å²	73.2	45%	0.446	42%	0.416	S	S	.	.	H	α-helix	trans	-84.6	0	-179.9	0	0	0	0	0	110	P801 M803 S808 F809	P801-A805 WeakPolarHBondContact O-CB 3.03Å; M803-A805 VanDerWaalsContact C-N 3.26Å; M803-A805 PolarHBondContact O-N 2.8Å; A805-S808 WeakPolarHBondContact CA-OG 2.6Å; A805-S808 PolarHBondContact O-OG 1.12Å; A805-F809 VanDerWaalsContact O-CB 3.26Å; A805-F809 WeakPolarHBondContact O-CB 3.35Å; A805-F809 PolarHBondContact O-N 2.33Å; A805-F809 VanDerWaalsContact O-N 3.1Å
806	G	34	Very low	43.3	Very low	42 Å²	42	77.2 Å²	77.2	43%	0.433	42%	0.423	S	S	.	.	H	α-helix		0	-39.4	0	0	0	0	0	0	111.7	E802 M803 F809 E810	E802-G806 PolarHBondContact O-N 2.97Å; M803-G806 PolarHBondContact O-N 3.07Å; G806-F809 PolarHBondContact O-N 3.48Å; G806-E810 PolarHBondContact O-N 2.77Å
807	A	34.5	Very low	45.6	Very low	48 Å²	48	74.5 Å²	74.5	40%	0.397	42%	0.419	S	S	.	.	H	α-helix	trans	-77.4	-27.8	176.9	0	0	0	0	0	111.1	W797 M803 F809 A811	W797-A807 HydrophobicContact CE3-CB 3.74Å; W797-A807 HydrophobicContact CH2-CB 2.19Å; W797-A807 HydrophobicContact CZ2-CB 3.4Å; W797-A807 HydrophobicContact CZ3-CB 2.44Å; M803-A807 PolarHBondContact O-N 3.33Å; A807-F809 VanDerWaalsContact C-N 3.28Å; A807-A811 PolarHBondContact O-N 2.87Å
808	S	45.9	Very low	47.7	Very low	49 Å²	49	73.3 Å²	73.3	34%	0.343	42%	0.416	S	S	.	.	H	α-helix	trans	-76.2	-24.7	173.5	61.3	0	0	0	0	110.5	I804 A805 A812	I804-S808 WeakPolarHBondContact O-CB 3.13Å; I804-S808 PolarHBondContact O-N 3.3Å; I804-S808 PolarHBondContact O-OG 2.93Å; A805-S808 WeakPolarHBondContact CA-OG 2.6Å; A805-S808 PolarHBondContact O-OG 1.12Å; S808-A812 WeakPolarHBondContact O-CB 3.34Å; S808-A812 PolarHBondContact O-N 2.87Å
809	F	47.8	Very low	50	Low	144 Å²	144	71.3 Å²	71.3	63%	0.632	40%	0.401	S	S	*	.	H	α-helix	trans	-77.9	-41.6	179.5	178.6	-102.1	0	0	0	109.7	A805 G806 A807 A812 V813	A805-F809 VanDerWaalsContact O-CB 3.26Å; A805-F809 WeakPolarHBondContact O-CB 3.35Å; A805-F809 PolarHBondContact O-N 2.33Å; A805-F809 VanDerWaalsContact O-N 3.1Å; G806-F809 PolarHBondContact O-N 3.48Å; A807-F809 VanDerWaalsContact C-N 3.28Å; F809-A812 WeakPolarHBondContact O-CB 3.5Å; F809-A812 PolarHBondContact O-N 2.3Å; F809-V813 HydrophobicContact CD1-CG2 3.94Å; F809-V813 HydrophobicContact CE1-CG2 3.63Å; F809-V813 HydrophobicContact CE2-CG2 4.35Å; F809-V813 HydrophobicContact CG-CG2 4.43Å; F809-V813 HydrophobicContact CZ-CG2 3.86Å; F809-V813 WeakPolarHBondContact O-CG2 3.42Å; F809-V813 PolarHBondContact O-N 2.86Å
810	E	55.3	Low	52	Low	80 Å²	80	69.1 Å²	69.1	37%	0.374	40%	0.395	S	S	.	.	H	α-helix	trans	-67.4	0	-179.8	-116.5	173.9	-176.3	0	0	111.5	L371 G806 V813 E814	L371-E810 HydrophobicContact CD1-CG 4.05Å; L371-E810 WeakPolarHBondContact CD1-OE1 3.07Å; L371-E810 HydrophobicContact CD2-CG 4.39Å; L371-E810 WeakPolarHBondContact CD2-OE1 3.44Å; L371-E810 WeakPolarHBondContact CD2-OE2 3.21Å; L371-E810 WeakPolarHBondContact CG-OE1 2.77Å; G806-E810 PolarHBondContact O-N 2.77Å; E810-V813 PolarHBondContact O-N 2.9Å; E810-E814 WeakPolarHBondContact O-CB 3.46Å; E810-E814 PolarHBondContact O-N 2.69Å
811	A	56.7	Low	53.8	Low	26 Å²	26	71.3 Å²	71.3	22%	0.215	41%	0.407	C	S	.	.	H	α-helix		0	-32.4	0	0	0	0	0	0	110.8	A807 E814 L815 L838	A807-A811 PolarHBondContact O-N 2.87Å; A811-E814 PolarHBondContact O-N 3.37Å; A811-L815 WeakPolarHBondContact O-CB 3.34Å; A811-L815 VanDerWaalsContact O-CG 3.27Å; A811-L815 WeakPolarHBondContact O-CG 3.19Å; A811-L815 PolarHBondContact O-N 3.4Å; A811-L838 HydrophobicContact CB-CD1 4.44Å; A811-L838 HydrophobicContact CB-CD2 3.64Å
812	A	58.7	Low	55.5	Low	10 Å²	10	67.2 Å²	67.2	8%	0.083	38%	0.378	C	S	.	.	H	α-helix	trans	-72.5	0	178.5	0	0	0	0	0	110.2	S808 F809 E814 L815 R816 M824	S808-A812 WeakPolarHBondContact O-CB 3.34Å; S808-A812 PolarHBondContact O-N 2.87Å; F809-A812 WeakPolarHBondContact O-CB 3.5Å; F809-A812 PolarHBondContact O-N 2.3Å; A812-E814 VanDerWaalsContact C-N 3.27Å; A812-E814 PolarHBondContact O-N 3.05Å; A812-L815 PolarHBondContact O-N 3.24Å; A812-R816 WeakPolarHBondContact O-CB 3.35Å; A812-R816 PolarHBondContact O-N 3.45Å; A812-M824 HydrophobicContact CB-CE 4.14Å; A812-M824 HydrophobicContact CB-SD 3.98Å
813	V	64.6	Low	57.1	Low	74 Å²	74	67.4 Å²	67.4	45%	0.448	38%	0.379	S	S	.	.	H	α-helix		0	-37	0	169.5	0	0	0	0	109.3	F809 E810 R816 A817	F809-V813 HydrophobicContact CD1-CG2 3.94Å; F809-V813 HydrophobicContact CE1-CG2 3.63Å; F809-V813 HydrophobicContact CE2-CG2 4.35Å; F809-V813 HydrophobicContact CG-CG2 4.43Å; F809-V813 HydrophobicContact CZ-CG2 3.86Å; F809-V813 WeakPolarHBondContact O-CG2 3.42Å; F809-V813 PolarHBondContact O-N 2.86Å; E810-V813 PolarHBondContact O-N 2.9Å; V813-R816 PolarHBondContact O-N 2.79Å; V813-A817 PolarHBondContact O-N 3.5Å
814	E	65.8	Low	58.7	Low	84 Å²	84	68 Å²	68	39%	0.393	38%	0.382	S	S	.	.	H	α-helix	trans	-74.3	-37.2	-178.9	-161.3	159.4	-172.6	0	0	111.2	E810 A811 A812 R816 A817 Q818 L841 Q845	E810-E814 WeakPolarHBondContact O-CB 3.46Å; E810-E814 PolarHBondContact O-N 2.69Å; A811-E814 PolarHBondContact O-N 3.37Å; A812-E814 VanDerWaalsContact C-N 3.27Å; A812-E814 PolarHBondContact O-N 3.05Å; E814-R816 PolarHBondContact O-N 3.44Å; E814-A817 PolarHBondContact O-N 2.38Å; E814-A817 VanDerWaalsContact O-N 3.15Å; E814-Q818 PolarHBondContact O-N 3.42Å; E814-L841 HydrophobicContact CG-CD2 4.19Å; E814-Q845 PolarHBondContact OE1-NE2 3.27Å
815	L	68.7	Low	59.8	Low	2 Å²	2	66.4 Å²	66.4	1%	0.01	38%	0.376	C	S	.	.	H	α-helix	trans	-65.6	-34.8	175.9	-84.1	172.1	0	0	0	110.7	A811 A812 A817 Q818 F819 Y834 T837 L838 L841	A811-L815 WeakPolarHBondContact O-CB 3.34Å; A811-L815 VanDerWaalsContact O-CG 3.27Å; A811-L815 WeakPolarHBondContact O-CG 3.19Å; A811-L815 PolarHBondContact O-N 3.4Å; A812-L815 PolarHBondContact O-N 3.24Å; L815-A817 PolarHBondContact O-N 3.41Å; L815-Q818 PolarHBondContact O-N 3.26Å; L815-F819 HydrophobicContact CD2-CD2 4.13Å; L815-F819 HydrophobicContact CD2-CE2 4.33Å; L815-F819 CarbonylContact O-C 3.5Å; L815-F819 WeakPolarHBondContact O-CA 2.11Å; L815-F819 WeakPolarHBondContact O-CB 3.13Å; L815-F819 PolarHBondContact O-N 2.89Å; L815-Y834 HydrophobicContact CD1-CD2 3.61Å; L815-Y834 HydrophobicContact CD1-CE2 2.91Å; L815-Y834 HydrophobicContact CG-CE2 4.43Å; L815-T837 HydrophobicContact CD2-CG2 3.58Å; L815-L838 HydrophobicContact CD1-CD1 4.06Å; L815-L838 HydrophobicContact CD1-CD2 2.96Å; L815-L838 HydrophobicContact CD1-CG 3.32Å; L815-L838 HydrophobicContact CD2-CD2 3.95Å; L815-L838 HydrophobicContact CD2-CG 4.48Å; L815-L838 HydrophobicContact CG-CD2 3.33Å; L815-L838 HydrophobicContact CG-CG 4.15Å; L815-L841 HydrophobicContact CD2-CD2 4.07Å; L815-L841 HydrophobicContact CG-CD2 4.46Å
816	R	69.7	Low	60.8	Low	160 Å²	160	69.6 Å²	69.6	60%	0.604	40%	0.395	S	S	*	.	H	α-helix	trans	-73.6	-25.5	-180	-93.8	-175.1	-146.9	-169.5	-0	110.3	A812 V813 E814 F819 P820	A812-R816 WeakPolarHBondContact O-CB 3.35Å; A812-R816 PolarHBondContact O-N 3.45Å; V813-R816 PolarHBondContact O-N 2.79Å; E814-R816 PolarHBondContact O-N 3.44Å; R816-F819 CarbonylContact O-C 3.24Å; R816-P820 WeakPolarHBondContact O-CA 3.28Å
817	A	73.8	Confident	61.4	Low	78 Å²	78	77 Å²	77	65%	0.645	42%	0.415	S	S	*	.	H	α-helix	trans	-74	0	177.6	0	0	0	0	0	110.8	V813 E814 L815	V813-A817 PolarHBondContact O-N 3.5Å; E814-A817 PolarHBondContact O-N 2.38Å; E814-A817 VanDerWaalsContact O-N 3.15Å; L815-A817 PolarHBondContact O-N 3.41Å
818	Q	71.8	Confident	62.2	Low	47 Å²	47	77.9 Å²	77.9	22%	0.22	43%	0.429	C	S	.	.	H	α-helix		0	-28.5	0	-74.3	-158.4	22.8	0	0	110.6	E814 L815 L841 Y904	E814-Q818 PolarHBondContact O-N 3.42Å; L815-Q818 PolarHBondContact O-N 3.26Å; Q818-L841 HydrophobicContact CB-CD1 4.45Å; Q818-L841 HydrophobicContact CG-CD1 4.01Å; Q818-Y904 PolarHBondContact OE1-OH 3.24Å
819	F	77.7	Confident	62.5	Low	9 Å²	9	82.2 Å²	82.2	4%	0.039	44%	0.444	C	S	.	.			trans	-130.5	77.7	178.9	-57.6	-81.1	0	0	0	108.4	L815 R816 N821 F822 T837 K899 T900 Y904	L815-F819 HydrophobicContact CD2-CD2 4.13Å; L815-F819 HydrophobicContact CD2-CE2 4.33Å; L815-F819 CarbonylContact O-C 3.5Å; L815-F819 WeakPolarHBondContact O-CA 2.11Å; L815-F819 WeakPolarHBondContact O-CB 3.13Å; L815-F819 PolarHBondContact O-N 2.89Å; R816-F819 CarbonylContact O-C 3.24Å; F819-N821 PolarHBondContact O-N 3Å; F819-N821 VanDerWaalsContact O-N 3.13Å; F819-F822 HydrophobicContact CB-CB 3.55Å; F819-F822 HydrophobicContact CB-CD2 4.37Å; F819-F822 HydrophobicContact CB-CG 4.32Å; F819-F822 VanDerWaalsContact O-CB 3.26Å; F819-F822 WeakPolarHBondContact O-CB 3.22Å; F819-F822 PolarHBondContact O-N 2.79Å; F819-T837 HydrophobicContact CD2-CG2 4.2Å; F819-T837 HydrophobicContact CE2-CG2 3.72Å; F819-T837 HydrophobicContact CZ-CG2 4.31Å; F819-K899 HydrophobicContact CE1-CB 4.37Å; F819-K899 HydrophobicContact CE1-CG 4.34Å; F819-T900 WeakPolarHBondContact CD1-O 3.43Å; F819-T900 WeakPolarHBondContact CE1-O 3.36Å; F819-Y904 HydrophobicContact CE2-CE2 4.08Å; F819-Y904 HydrophobicContact CZ-CD2 4.12Å; F819-Y904 HydrophobicContact CZ-CE1 4.24Å; F819-Y904 AromaticContact CZ-CE2 3.79Å; F819-Y904 HydrophobicContact CZ-CE2 3.79Å; F819-Y904 HydrophobicContact CZ-CG 4.48Å; F819-Y904 AromaticContact CZ-CZ 3.86Å
820	P	72.1	Confident	63	Low	100 Å²	100	80.3 Å²	80.3	65%	0.649	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-26.7	-174.9	-19.3	24.7	0	0	0	111.7	R816	R816-P820 WeakPolarHBondContact O-CA 3.28Å
821	N	69.7	Low	63.7	Low	115 Å²	115	79 Å²	79	62%	0.615	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	15.1	-177.3	-65.2	-32.8	0	0	0	111	F819 Q823	F819-N821 PolarHBondContact O-N 3Å; F819-N821 VanDerWaalsContact O-N 3.13Å; N821-Q823 PolarHBondContact O-N 3.2Å
822	F	69.8	Low	64.5	Low	18 Å²	18	79.5 Å²	79.5	8%	0.079	43%	0.433	C	S	.	.			trans	-75.4	112.2	-177.4	-172.2	-96.7	0	0	0	109.6	F819 Y834 T837 Q902	F819-F822 HydrophobicContact CB-CB 3.55Å; F819-F822 HydrophobicContact CB-CD2 4.37Å; F819-F822 HydrophobicContact CB-CG 4.32Å; F819-F822 VanDerWaalsContact O-CB 3.26Å; F819-F822 WeakPolarHBondContact O-CB 3.22Å; F819-F822 PolarHBondContact O-N 2.79Å; F822-Y834 HydrophobicContact CD1-CD2 4.48Å; F822-Y834 AromaticContact CE1-CD2 3.45Å; F822-Y834 HydrophobicContact CE1-CD2 3.45Å; F822-Y834 VanDerWaalsContact CE1-CD2 3.45Å; F822-Y834 HydrophobicContact CE1-CE2 4.19Å; F822-Y834 HydrophobicContact CE1-CG 4.44Å; F822-Y834 HydrophobicContact CZ-CD2 4.02Å; F822-T837 HydrophobicContact CE2-CG2 4.43Å; F822-Q902 WeakPolarHBondContact CE2-O 3.09Å
823	Q	64.9	Low	65.4	Low	136 Å²	136	82.7 Å²	82.7	64%	0.636	45%	0.446	S	S	*	.			trans	-83.3	115.2	179.5	-162.6	166.2	13.8	0	0	110.6	N821 P825	N821-Q823 PolarHBondContact O-N 3.2Å; Q823-P825 WeakPolarHBondContact O-CD 3.34Å
824	M	62.5	Low	66	Low	87 Å²	87	80.9 Å²	80.9	43%	0.429	43%	0.431	S	S	.	.			trans	-70.9	120.4	-179	-78.8	175	71.7	0	0	110.4	A812 Y834	A812-M824 HydrophobicContact CB-CE 4.14Å; A812-M824 HydrophobicContact CB-SD 3.98Å; M824-Y834 HydrophobicContact CG-CE2 4.34Å
825	P	57.7	Low	66.7	Low	32 Å²	32	79 Å²	79	21%	0.208	42%	0.423	C	S	.	.			trans	-75.3	0	-177	3.9	-1.5	0	0	0	111.8	Q823 K830	Q823-P825 WeakPolarHBondContact O-CD 3.34Å; P825-K830 HydrophobicContact CB-CB 2.42Å; P825-K830 HydrophobicContact CB-CD 3.73Å; P825-K830 HydrophobicContact CB-CG 3.67Å; P825-K830 HydrophobicContact CG-CB 2.75Å; P825-K830 HydrophobicContact CG-CD 4.33Å; P825-K830 HydrophobicContact CG-CG 4.07Å; P825-K830 WeakPolarHBondContact CG-O 3.34Å
826	S	55	Low	67.5	Low	121 Å²	121	80 Å²	80	85%	0.846	43%	0.427	S	S	*	.	S	Bend		0	0	0	53.5	0	0	0	0	111.2
827	K	46.6	Very low	68.3	Low	197 Å²	197	72.4 Å²	72.4	86%	0.857	40%	0.399	S	S	*	.	S	Bend		0	0	0	-84.1	-174.7	-176.4	-179	0	109.3
828	G	50.9	Low	68.7	Low	67 Å²	67	70.8 Å²	70.8	69%	0.691	38%	0.379	S	S	*	.	S	Bend		0	0	0	0	0	0	0	0	110.9	K830	G828-K830 PolarHBondContact O-N 3.07Å
829	Q	53	Low	69.3	Low	139 Å²	139	69.1 Å²	69.1	65%	0.65	37%	0.372	S	S	*	.	S	Bend		0	0	0	-145.2	167.3	-10.9	0	0	110	M1000	Q829-M1000 HydrophobicContact CG-SD 3.75Å
830	K	59	Low	69.9	Low	105 Å²	105	68.7 Å²	68.7	46%	0.457	37%	0.37	S	S	.	.	H	α-helix		0	0	0	-74.2	-170.8	-179.8	177.1	0	110.8	P825 G828 Y834	P825-K830 HydrophobicContact CB-CB 2.42Å; P825-K830 HydrophobicContact CB-CD 3.73Å; P825-K830 HydrophobicContact CB-CG 3.67Å; P825-K830 HydrophobicContact CG-CB 2.75Å; P825-K830 HydrophobicContact CG-CD 4.33Å; P825-K830 HydrophobicContact CG-CG 4.07Å; P825-K830 WeakPolarHBondContact CG-O 3.34Å; G828-K830 PolarHBondContact O-N 3.07Å; K830-Y834 PolarHBondContact O-N 3.03Å
831	S	68.3	Low	70.5	Confident	53 Å²	53	64.1 Å²	64.1	37%	0.371	34%	0.34	S	S	.	.	H	α-helix		0	-30.5	0	63.5	0	0	0	0	110.8	Y834 I835	S831-Y834 WeakPolarHBondContact O-CB 3.32Å; S831-Y834 PolarHBondContact O-N 3.24Å; S831-I835 WeakPolarHBondContact O-CG1 3.1Å; S831-I835 PolarHBondContact O-N 3.21Å; S831-I835 VanDerWaalsContact O-N 3.12Å
832	E	74.8	Confident	71.1	Confident	36 Å²	36	62.3 Å²	62.3	17%	0.168	33%	0.328	C	S	.	.	H	α-helix	trans	-73.5	-35.6	179.9	-72.5	-173.5	178.6	0	0	110.6	Y834 I835 R836 T998 K999 M1000 Y1001	E832-Y834 PolarHBondContact O-N 2.77Å; E832-I835 PolarHBondContact O-N 3.15Å; E832-R836 WeakPolarHBondContact O-CB 3.14Å; E832-R836 PolarHBondContact O-N 3.18Å; E832-T998 HydrophobicContact CB-CG2 4.07Å; E832-T998 HydrophobicContact CG-CG2 4.37Å; E832-K999 PolarHBondContact OE1-N 3.49Å; E832-M1000 WeakPolarHBondContact OE2-CB 3.39Å; E832-M1000 WeakPolarHBondContact OE2-CG 3.46Å; E832-M1000 PolarHBondContact OE2-N 3.2Å; E832-Y1001 HydrophobicContact CB-CE2 4.17Å
833	E	76.8	Confident	71.8	Confident	76 Å²	76	61.6 Å²	61.6	36%	0.355	33%	0.325	S	S	.	.	H	α-helix	trans	-65.2	-32.6	176.7	-105.2	166.3	-169.3	0	0	111	R836 T837 Y1001	E833-R836 PolarHBondContact O-N 3.49Å; E833-T837 WeakPolarHBondContact O-CB 3.39Å; E833-T837 PolarHBondContact O-N 3.18Å; E833-T837 PolarHBondContact O-OG1 3.3Å; E833-Y1001 WeakPolarHBondContact CG-OH 3.22Å
834	Y	77.4	Confident	73	Confident	36 Å²	36	55.1 Å²	55.1	14%	0.141	30%	0.295	C	S	.	.	H	α-helix	trans	-67.6	-47.1	176.9	175.5	-106.2	0	0	0	111.3	L815 F822 M824 K830 S831 E832 R836 T837 L838	L815-Y834 HydrophobicContact CD1-CD2 3.61Å; L815-Y834 HydrophobicContact CD1-CE2 2.91Å; L815-Y834 HydrophobicContact CG-CE2 4.43Å; F822-Y834 HydrophobicContact CD1-CD2 4.48Å; F822-Y834 AromaticContact CE1-CD2 3.45Å; F822-Y834 HydrophobicContact CE1-CD2 3.45Å; F822-Y834 VanDerWaalsContact CE1-CD2 3.45Å; F822-Y834 HydrophobicContact CE1-CE2 4.19Å; F822-Y834 HydrophobicContact CE1-CG 4.44Å; F822-Y834 HydrophobicContact CZ-CD2 4.02Å; M824-Y834 HydrophobicContact CG-CE2 4.34Å; K830-Y834 PolarHBondContact O-N 3.03Å; S831-Y834 WeakPolarHBondContact O-CB 3.32Å; S831-Y834 PolarHBondContact O-N 3.24Å; E832-Y834 PolarHBondContact O-N 2.77Å; Y834-R836 PolarHBondContact O-N 2.69Å; Y834-T837 PolarHBondContact O-N 2.82Å; Y834-L838 HydrophobicContact CD1-CD1 3.59Å; Y834-L838 HydrophobicContact CD1-CG 4.48Å; Y834-L838 HydrophobicContact CD2-CD1 4.41Å; Y834-L838 HydrophobicContact CE1-CD1 2.97Å; Y834-L838 HydrophobicContact CE1-CG 4.08Å; Y834-L838 HydrophobicContact CE2-CD1 3.93Å; Y834-L838 HydrophobicContact CE2-CG 4.22Å; Y834-L838 HydrophobicContact CG-CD1 4.27Å; Y834-L838 WeakPolarHBondContact O-CG 3.27Å; Y834-L838 PolarHBondContact O-N 2.9Å; Y834-L838 WeakPolarHBondContact OH-CD1 2.73Å
835	I	80.5	Confident	74	Confident	44 Å²	44	53.7 Å²	53.7	23%	0.226	29%	0.287	C	S	.	.	H	α-helix	trans	-62.6	0	179.2	-67.5	173.8	0	0	0	109.6	S831 E832 T837 L838 V839 R997 T998	S831-I835 WeakPolarHBondContact O-CG1 3.1Å; S831-I835 PolarHBondContact O-N 3.21Å; S831-I835 VanDerWaalsContact O-N 3.12Å; E832-I835 PolarHBondContact O-N 3.15Å; I835-T837 VanDerWaalsContact C-N 3.34Å; I835-T837 PolarHBondContact O-N 3.08Å; I835-L838 PolarHBondContact O-N 2.95Å; I835-V839 HydrophobicContact CG2-CG2 4.16Å; I835-V839 WeakPolarHBondContact O-CG2 3.17Å; I835-V839 PolarHBondContact O-N 3.04Å; I835-R997 HydrophobicContact CD1-CB 4.36Å; I835-R997 HydrophobicContact CG2-CB 3.93Å; I835-T998 HydrophobicContact CB-CG2 4.28Å; I835-T998 HydrophobicContact CG2-CG2 4.23Å
836	R	85.6	Confident	75	Confident	25 Å²	25	55.7 Å²	55.7	9%	0.094	29%	0.292	C	S	.	.	H	α-helix		0	-42.1	0	177	-178.1	170.5	-103.7	1.3	110.5	E832 E833 Y834 L838 V839 L840 Y904 L994 Y1001 E1004	E832-R836 WeakPolarHBondContact O-CB 3.14Å; E832-R836 PolarHBondContact O-N 3.18Å; E833-R836 PolarHBondContact O-N 3.49Å; Y834-R836 PolarHBondContact O-N 2.69Å; R836-L838 PolarHBondContact O-N 3.49Å; R836-V839 PolarHBondContact O-N 2.98Å; R836-L840 HydrophobicContact CG-CD1 3.91Å; R836-L840 HydrophobicContact CG-CG 4.38Å; R836-L840 WeakPolarHBondContact O-CB 2.7Å; R836-L840 WeakPolarHBondContact O-CG 2.87Å; R836-L840 PolarHBondContact O-N 3.19Å; R836-Y904 PolarHBondContact NH1-O 3.22Å; R836-Y904 PolarHBondContact NH2-O 2.95Å; R836-L994 HydrophobicContact CB-CD2 4.13Å; R836-L994 HydrophobicContact CG-CD2 3.99Å; R836-Y1001 HydrophobicContact CB-CD2 3.96Å; R836-Y1001 HydrophobicContact CB-CE2 3.77Å; R836-Y1001 HydrophobicContact CB-CG 4.49Å; R836-Y1001 VanDerWaalsContact CD-CE2 3.45Å; R836-Y1001 HydrophobicContact CG-CD1 4.25Å; R836-Y1001 HydrophobicContact CG-CD2 4.22Å; R836-Y1001 HydrophobicContact CG-CE1 4.22Å; R836-Y1001 HydrophobicContact CG-CE2 4.2Å; R836-Y1001 HydrophobicContact CG-CG 4.26Å; R836-Y1001 VanDerWaalsContact NE-CE1 3.3Å; R836-E1004 WeakPolarHBondContact CD-OE2 3.45Å; R836-E1004 IonicContact CZ-OE1 3.57Å; R836-E1004 IonicContact CZ-OE2 3.93Å; R836-E1004 VanDerWaalsContact NE-CD 3.33Å; R836-E1004 IonicContact NE-OE1 2.5Å; R836-E1004 PolarHBondContact NE-OE1 3.4Å; R836-E1004 IonicContact NE-OE2 3.23Å; R836-E1004 PolarHBondContact NE-OE2 2.7Å; R836-E1004 IonicContact NH2-OE1 3.43Å; R836-E1004 PolarHBondContact NH2-OE1 3.26Å; R836-E1004 IonicContact NH2-OE2 3.4Å; R836-E1004 PolarHBondContact NH2-OE2 2.92Å
837	T	85.6	Confident	76.3	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-71.1	-33.8	-177.5	-57.4	0	0	0	0	110.3	L815 F819 F822 E833 Y834 I835 L840 L841 Y904	L815-T837 HydrophobicContact CD2-CG2 3.58Å; F819-T837 HydrophobicContact CD2-CG2 4.2Å; F819-T837 HydrophobicContact CE2-CG2 3.72Å; F819-T837 HydrophobicContact CZ-CG2 4.31Å; F822-T837 HydrophobicContact CE2-CG2 4.43Å; E833-T837 WeakPolarHBondContact O-CB 3.39Å; E833-T837 PolarHBondContact O-N 3.18Å; E833-T837 PolarHBondContact O-OG1 3.3Å; Y834-T837 PolarHBondContact O-N 2.82Å; I835-T837 VanDerWaalsContact C-N 3.34Å; I835-T837 PolarHBondContact O-N 3.08Å; T837-L840 PolarHBondContact O-N 3.26Å; T837-L841 VanDerWaalsContact O-CB 3.31Å; T837-L841 WeakPolarHBondContact O-CB 3.29Å; T837-L841 PolarHBondContact O-N 3.19Å; T837-Y904 HydrophobicContact CG2-CD2 4.24Å
838	L	82.7	Confident	78	Confident	44 Å²	44	42.8 Å²	42.8	23%	0.23	22%	0.221	C	C	.	.	H	α-helix	trans	-69.8	-43.2	-179.2	-79.5	172.1	0	0	0	111.1	A811 L815 Y834 I835 R836 L840 L841 E842	A811-L838 HydrophobicContact CB-CD1 4.44Å; A811-L838 HydrophobicContact CB-CD2 3.64Å; L815-L838 HydrophobicContact CD1-CD1 4.06Å; L815-L838 HydrophobicContact CD1-CD2 2.96Å; L815-L838 HydrophobicContact CD1-CG 3.32Å; L815-L838 HydrophobicContact CD2-CD2 3.95Å; L815-L838 HydrophobicContact CD2-CG 4.48Å; L815-L838 HydrophobicContact CG-CD2 3.33Å; L815-L838 HydrophobicContact CG-CG 4.15Å; Y834-L838 HydrophobicContact CD1-CD1 3.59Å; Y834-L838 HydrophobicContact CD1-CG 4.48Å; Y834-L838 HydrophobicContact CD2-CD1 4.41Å; Y834-L838 HydrophobicContact CE1-CD1 2.97Å; Y834-L838 HydrophobicContact CE1-CG 4.08Å; Y834-L838 HydrophobicContact CE2-CD1 3.93Å; Y834-L838 HydrophobicContact CE2-CG 4.22Å; Y834-L838 HydrophobicContact CG-CD1 4.27Å; Y834-L838 WeakPolarHBondContact O-CG 3.27Å; Y834-L838 PolarHBondContact O-N 2.9Å; Y834-L838 WeakPolarHBondContact OH-CD1 2.73Å; I835-L838 PolarHBondContact O-N 2.95Å; R836-L838 PolarHBondContact O-N 3.49Å; L838-L840 VanDerWaalsContact C-N 3.27Å; L838-L840 PolarHBondContact O-N 2.63Å; L838-L841 WeakPolarHBondContact O-CB 3.49Å; L838-L841 PolarHBondContact O-N 2.95Å; L838-E842 PolarHBondContact O-N 2.99Å
839	V	84.8	Confident	79.3	Confident	11 Å²	11	43.6 Å²	43.6	7%	0.067	20%	0.204	C	C	.	.	H	α-helix	trans	-69.3	0	-176.4	173.6	0	0	0	0	109.1	I835 R836 E842 I990 D993	I835-V839 HydrophobicContact CG2-CG2 4.16Å; I835-V839 WeakPolarHBondContact O-CG2 3.17Å; I835-V839 PolarHBondContact O-N 3.04Å; R836-V839 PolarHBondContact O-N 2.98Å; V839-E842 WeakPolarHBondContact O-CB 3.35Å; V839-E842 PolarHBondContact O-N 3.4Å; V839-I990 HydrophobicContact CG1-CB 3.65Å; V839-I990 HydrophobicContact CG1-CD1 4.44Å; V839-I990 HydrophobicContact CG1-CG1 3.4Å; V839-I990 HydrophobicContact CG1-CG2 3.47Å; V839-I990 VanDerWaalsContact CG1-CG2 3.47Å; V839-D993 HydrophobicContact CG1-CB 4.16Å; V839-D993 HydrophobicContact CG2-CB 3.94Å
840	L	89.3	Confident	80.2	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.176	C	C	.	.	H	α-helix		0	-29.7	0	-66.4	-178.4	0	0	0	110.3	R836 T837 L838 E842 F843 H844 Y904 M907 I990 W1008	R836-L840 HydrophobicContact CG-CD1 3.91Å; R836-L840 HydrophobicContact CG-CG 4.38Å; R836-L840 WeakPolarHBondContact O-CB 2.7Å; R836-L840 WeakPolarHBondContact O-CG 2.87Å; R836-L840 PolarHBondContact O-N 3.19Å; T837-L840 PolarHBondContact O-N 3.26Å; L838-L840 VanDerWaalsContact C-N 3.27Å; L838-L840 PolarHBondContact O-N 2.63Å; L840-E842 PolarHBondContact O-N 2.76Å; L840-F843 PolarHBondContact O-N 3.38Å; L840-H844 PolarHBondContact O-N 2.73Å; L840-Y904 HydrophobicContact CB-CD2 3.68Å; L840-Y904 HydrophobicContact CB-CE2 4.22Å; L840-Y904 HydrophobicContact CB-CG 4.35Å; L840-Y904 HydrophobicContact CD1-CD2 4.36Å; L840-Y904 HydrophobicContact CD1-CG 4.42Å; L840-M907 HydrophobicContact CB-SD 3.9Å; L840-M907 HydrophobicContact CD1-SD 4.48Å; L840-M907 HydrophobicContact CD2-SD 4.39Å; L840-I990 HydrophobicContact CD2-CG2 4.12Å; L840-W1008 HydrophobicContact CD2-CZ2 3.45Å; L840-W1008 VanDerWaalsContact CD2-CZ2 3.45Å; L840-W1008 VanDerWaalsContact CD2-NE1 3.3Å
841	L	86.4	Confident	81.2	Confident	5 Å²	5	33 Å²	33	3%	0.026	16%	0.158	C	C	.	.	H	α-helix	trans	-62.3	0	177.9	-177.4	64.2	0	0	0	111.1	E814 L815 Q818 T837 L838 H844 Q845 Y904	E814-L841 HydrophobicContact CG-CD2 4.19Å; L815-L841 HydrophobicContact CD2-CD2 4.07Å; L815-L841 HydrophobicContact CG-CD2 4.46Å; Q818-L841 HydrophobicContact CB-CD1 4.45Å; Q818-L841 HydrophobicContact CG-CD1 4.01Å; T837-L841 VanDerWaalsContact O-CB 3.31Å; T837-L841 WeakPolarHBondContact O-CB 3.29Å; T837-L841 PolarHBondContact O-N 3.19Å; L838-L841 WeakPolarHBondContact O-CB 3.49Å; L838-L841 PolarHBondContact O-N 2.95Å; L841-H844 PolarHBondContact O-N 2.54Å; L841-Q845 HydrophobicContact CD1-CG 4.41Å; L841-Q845 HydrophobicContact CG-CG 4.29Å; L841-Q845 VanDerWaalsContact O-CG 3.31Å; L841-Q845 WeakPolarHBondContact O-CG 3.49Å; L841-Q845 PolarHBondContact O-N 2.65Å; L841-Y904 HydrophobicContact CB-CE2 4.29Å; L841-Y904 HydrophobicContact CD1-CE2 4.29Å; L841-Y904 WeakPolarHBondContact CD1-OH 3.24Å
842	E	81.5	Confident	81.5	Confident	77 Å²	77	38.9 Å²	38.9	36%	0.36	17%	0.171	S	C	.	.	H	α-helix		0	0	0	-171.8	176.8	177.2	0	0	111.2	L838 V839 L840 K846	L838-E842 PolarHBondContact O-N 2.99Å; V839-E842 WeakPolarHBondContact O-CB 3.35Å; V839-E842 PolarHBondContact O-N 3.4Å; L840-E842 PolarHBondContact O-N 2.76Å; E842-K846 VanDerWaalsContact O-CG 3.22Å; E842-K846 WeakPolarHBondContact O-CG 3.33Å; E842-K846 PolarHBondContact O-N 3.35Å
843	F	85.6	Confident	81.2	Confident	3 Å²	3	37.5 Å²	37.5	1%	0.013	17%	0.165	C	C	.	.	H	α-helix		0	-41.5	0	-173.8	-97.7	0	0	0	110	L840 K846 T847 I895 M907 V911 L983 I986 I990 W1008	L840-F843 PolarHBondContact O-N 3.38Å; F843-K846 PolarHBondContact O-N 2.47Å; F843-T847 HydrophobicContact CD1-CG2 4.18Å; F843-T847 HydrophobicContact CE1-CG2 3.85Å; F843-T847 HydrophobicContact CZ-CG2 4.17Å; F843-T847 WeakPolarHBondContact O-CG2 3.49Å; F843-T847 PolarHBondContact O-N 2.79Å; F843-T847 VanDerWaalsContact O-N 3.14Å; F843-T847 PolarHBondContact O-OG1 2.99Å; F843-I895 HydrophobicContact CD1-CD1 3.98Å; F843-I895 HydrophobicContact CE1-CD1 3.87Å; F843-M907 HydrophobicContact CB-CE 4.12Å; F843-M907 HydrophobicContact CD1-CE 3.43Å; F843-M907 VanDerWaalsContact CD1-CE 3.43Å; F843-M907 HydrophobicContact CE1-CE 4.3Å; F843-M907 HydrophobicContact CG-CE 4.22Å; F843-V911 HydrophobicContact CE1-CG1 4.23Å; F843-V911 HydrophobicContact CE1-CG2 4.19Å; F843-V911 HydrophobicContact CZ-CG1 4.25Å; F843-L983 HydrophobicContact CE2-CD2 3.99Å; F843-L983 HydrophobicContact CZ-CD2 4.15Å; F843-I986 HydrophobicContact CD2-CG2 4.27Å; F843-I990 HydrophobicContact CB-CD1 3.55Å; F843-I990 HydrophobicContact CD2-CD1 4.26Å; F843-I990 HydrophobicContact CG-CD1 4.27Å; F843-W1008 HydrophobicContact CB-CH2 3.79Å; F843-W1008 HydrophobicContact CB-CZ3 4.42Å; F843-W1008 AromaticContact CD1-CH2 3.6Å; F843-W1008 HydrophobicContact CD1-CH2 3.6Å; F843-W1008 HydrophobicContact CD1-CZ3 4.21Å; F843-W1008 AromaticContact CD2-CH2 3.7Å; F843-W1008 HydrophobicContact CD2-CH2 3.7Å; F843-W1008 AromaticContact CD2-CZ3 3.55Å; F843-W1008 HydrophobicContact CD2-CZ3 3.55Å; F843-W1008 HydrophobicContact CE1-CH2 4.04Å; F843-W1008 HydrophobicContact CE1-CZ3 4.36Å; F843-W1008 HydrophobicContact CE2-CH2 4.13Å; F843-W1008 AromaticContact CE2-CZ3 3.73Å; F843-W1008 HydrophobicContact CE2-CZ3 3.73Å; F843-W1008 AromaticContact CG-CH2 3.4Å; F843-W1008 HydrophobicContact CG-CH2 3.4Å; F843-W1008 VanDerWaalsContact CG-CH2 3.4Å; F843-W1008 AromaticContact CG-CZ3 3.81Å; F843-W1008 HydrophobicContact CG-CZ3 3.81Å; F843-W1008 HydrophobicContact CZ-CH2 4.28Å; F843-W1008 HydrophobicContact CZ-CZ3 4.13Å
844	H	88.5	Confident	80.9	Confident	0 Å²	0	34 Å²	34	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.6	-38.1	179.6	-172.6	-166.3	0	0	0	110.9	L840 L841 K846 T847 Q848 I895 D896 K899 Y904 M907	L840-H844 PolarHBondContact O-N 2.73Å; L841-H844 PolarHBondContact O-N 2.54Å; H844-K846 VanDerWaalsContact C-N 3.33Å; H844-K846 PolarHBondContact O-N 3.14Å; H844-T847 WeakPolarHBondContact CA-OG1 2.9Å; H844-T847 PolarHBondContact O-N 3.3Å; H844-T847 PolarHBondContact O-OG1 2.95Å; H844-Q848 PolarHBondContact CE1-NE2 3.36Å; H844-Q848 PolarHBondContact NE2-NE2 3.07Å; H844-Q848 WeakPolarHBondContact O-CG 3.37Å; H844-Q848 PolarHBondContact O-N 2.97Å; H844-I895 HydrophobicContact CB-CG2 4.14Å; H844-D896 IonicContact CE1-OD1 3.49Å; H844-D896 PolarHBondContact CE1-OD1 2.96Å; H844-D896 IonicContact NE2-OD1 3.56Å; H844-D896 PolarHBondContact NE2-OD1 3.44Å; H844-K899 WeakPolarHBondContact CE1-CE 3.47Å; H844-K899 PolarHBondContact CE1-NZ 3.02Å; H844-K899 VanDerWaalsContact ND1-CE 3.29Å; H844-K899 WeakPolarHBondContact ND1-CE 2.91Å; H844-Y904 WeakPolarHBondContact CB-OH 3.47Å; H844-Y904 AromaticContact ND1-CE1 3.79Å; H844-Y904 AromaticContact ND1-CZ 3.57Å; H844-Y904 PolarHBondContact ND1-OH 3.02Å; H844-M907 HydrophobicContact CB-CE 4.33Å
845	Q	83.2	Confident	80.7	Confident	57 Å²	57	36.5 Å²	36.5	27%	0.266	16%	0.161	S	C	.	.	H	α-helix	trans	-70.9	-34.7	-177.9	-74.1	177.7	-17.8	0	0	111.1	E814 L841 Q848 Y849	E814-Q845 PolarHBondContact OE1-NE2 3.27Å; L841-Q845 HydrophobicContact CD1-CG 4.41Å; L841-Q845 HydrophobicContact CG-CG 4.29Å; L841-Q845 VanDerWaalsContact O-CG 3.31Å; L841-Q845 WeakPolarHBondContact O-CG 3.49Å; L841-Q845 PolarHBondContact O-N 2.65Å; Q845-Q848 PolarHBondContact O-N 3.47Å; Q845-Y849 WeakPolarHBondContact O-CB 3.18Å; Q845-Y849 PolarHBondContact O-N 2.66Å
846	K	80.5	Confident	80	Confident	74 Å²	74	39.7 Å²	39.7	32%	0.322	17%	0.174	S	C	.	.	H	α-helix	trans	-73.8	0	-177.5	-71.2	-70.6	-176.3	-171.8	0	110.7	E842 F843 H844 Y849 M850 I986	E842-K846 VanDerWaalsContact O-CG 3.22Å; E842-K846 WeakPolarHBondContact O-CG 3.33Å; E842-K846 PolarHBondContact O-N 3.35Å; F843-K846 PolarHBondContact O-N 2.47Å; H844-K846 VanDerWaalsContact C-N 3.33Å; H844-K846 PolarHBondContact O-N 3.14Å; K846-Y849 PolarHBondContact O-N 3.4Å; K846-M850 VanDerWaalsContact O-CG 3.26Å; K846-M850 WeakPolarHBondContact O-CG 3.44Å; K846-M850 PolarHBondContact O-N 2.6Å; K846-M850 VanDerWaalsContact O-N 3.11Å; K846-I986 HydrophobicContact CB-CD1 4.13Å; K846-I986 HydrophobicContact CD-CD1 4.18Å; K846-I986 HydrophobicContact CG-CD1 3.62Å
847	T	82.3	Confident	79	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	17%	0.171	C	C	.	.	H	α-helix		0	0	0	50.6	0	0	0	0	110.2	F843 H844 Y849 M850 V851 L891 I895 L983	F843-T847 HydrophobicContact CD1-CG2 4.18Å; F843-T847 HydrophobicContact CE1-CG2 3.85Å; F843-T847 HydrophobicContact CZ-CG2 4.17Å; F843-T847 WeakPolarHBondContact O-CG2 3.49Å; F843-T847 PolarHBondContact O-N 2.79Å; F843-T847 VanDerWaalsContact O-N 3.14Å; F843-T847 PolarHBondContact O-OG1 2.99Å; H844-T847 WeakPolarHBondContact CA-OG1 2.9Å; H844-T847 PolarHBondContact O-N 3.3Å; H844-T847 PolarHBondContact O-OG1 2.95Å; T847-Y849 VanDerWaalsContact C-N 3.34Å; T847-M850 WeakPolarHBondContact O-CB 3.48Å; T847-M850 PolarHBondContact O-N 3.34Å; T847-V851 PolarHBondContact O-N 3.5Å; T847-L891 HydrophobicContact CG2-CD2 3.87Å; T847-I895 HydrophobicContact CG2-CD1 4.34Å; T847-L983 HydrophobicContact CG2-CD2 4.45Å
848	Q	81.7	Confident	78	Confident	46 Å²	46	42.3 Å²	42.3	22%	0.215	19%	0.188	C	C	.	.	H	α-helix		0	-37.5	0	-75.2	-177.7	-19.5	0	0	110.9	H844 Q845 M850 V851 R852 V892	H844-Q848 PolarHBondContact CE1-NE2 3.36Å; H844-Q848 PolarHBondContact NE2-NE2 3.07Å; H844-Q848 WeakPolarHBondContact O-CG 3.37Å; H844-Q848 PolarHBondContact O-N 2.97Å; Q845-Q848 PolarHBondContact O-N 3.47Å; Q848-M850 PolarHBondContact O-N 3.33Å; Q848-V851 WeakPolarHBondContact O-CB 3.39Å; Q848-V851 PolarHBondContact O-N 3.2Å; Q848-R852 PolarHBondContact O-N 2.91Å; Q848-V892 HydrophobicContact CG-CG1 4.15Å; Q848-V892 HydrophobicContact CG-CG2 4.35Å
849	Y	77.9	Confident	76.9	Confident	85 Å²	85	43 Å²	43	33%	0.333	19%	0.187	S	C	.	.	H	α-helix	trans	-62.4	-34.3	178.4	174.6	-99.4	0	0	0	110.6	Q845 K846 T847 V851 R852 H853 L979	Q845-Y849 WeakPolarHBondContact O-CB 3.18Å; Q845-Y849 PolarHBondContact O-N 2.66Å; K846-Y849 PolarHBondContact O-N 3.4Å; T847-Y849 VanDerWaalsContact C-N 3.34Å; Y849-V851 PolarHBondContact O-N 3.42Å; Y849-R852 PolarHBondContact O-N 2.59Å; Y849-R852 VanDerWaalsContact O-N 3.1Å; Y849-H853 HydrophobicContact CD1-CB 4.47Å; Y849-H853 HydrophobicContact CE1-CB 4.21Å; Y849-H853 WeakPolarHBondContact O-CB 2.7Å; Y849-H853 PolarHBondContact O-N 2.53Å; Y849-L979 HydrophobicContact CD1-CD1 4.21Å; Y849-L979 HydrophobicContact CD1-CD2 3.86Å; Y849-L979 HydrophobicContact CE1-CD1 3.81Å; Y849-L979 HydrophobicContact CE1-CD2 3.84Å; Y849-L979 HydrophobicContact CE1-CG 4.42Å
850	M	72.9	Confident	75.5	Confident	9 Å²	9	42.8 Å²	42.8	4%	0.044	19%	0.186	C	C	.	.	H	α-helix	trans	-66.4	-38.4	-178.6	-75.4	-174.5	71.2	0	0	110.3	K846 T847 Q848 R852 H853 L854 F888 L983	K846-M850 VanDerWaalsContact O-CG 3.26Å; K846-M850 WeakPolarHBondContact O-CG 3.44Å; K846-M850 PolarHBondContact O-N 2.6Å; K846-M850 VanDerWaalsContact O-N 3.11Å; T847-M850 WeakPolarHBondContact O-CB 3.48Å; T847-M850 PolarHBondContact O-N 3.34Å; Q848-M850 PolarHBondContact O-N 3.33Å; M850-R852 VanDerWaalsContact C-N 3.27Å; M850-R852 PolarHBondContact O-N 3.34Å; M850-H853 PolarHBondContact O-N 3.29Å; M850-L854 WeakPolarHBondContact O-CB 3.4Å; M850-L854 WeakPolarHBondContact O-CG 3.09Å; M850-L854 PolarHBondContact O-N 3Å; M850-F888 HydrophobicContact CB-CD1 4.01Å; M850-F888 HydrophobicContact CB-CE1 4.09Å; M850-F888 HydrophobicContact CB-CG 4.32Å; M850-F888 HydrophobicContact CB-CZ 4.5Å; M850-F888 HydrophobicContact CE-CD1 3.69Å; M850-F888 HydrophobicContact CE-CD2 3.99Å; M850-F888 HydrophobicContact CE-CE1 2.67Å; M850-F888 HydrophobicContact CE-CE2 3.07Å; M850-F888 HydrophobicContact CE-CG 4.24Å; M850-F888 HydrophobicContact CE-CZ 2.26Å; M850-F888 HydrophobicContact CG-CE1 4.21Å; M850-F888 HydrophobicContact SD-CD1 3.7Å; M850-F888 HydrophobicContact SD-CE1 2.9Å; M850-F888 WeakPolarHBondContact SD-CE1 3.08Å; M850-F888 HydrophobicContact SD-CE2 4.38Å; M850-F888 HydrophobicContact SD-CZ 3.36Å; M850-F888 WeakPolarHBondContact SD-CZ 3.03Å; M850-L983 HydrophobicContact CE-CD1 4.33Å; M850-L983 HydrophobicContact SD-CD1 3.52Å; M850-L983 VanDerWaalsContact SD-CD1 3.52Å
851	V	79.6	Confident	74.1	Confident	13 Å²	13	45.5 Å²	45.5	8%	0.079	20%	0.2	C	C	.	.	H	α-helix	trans	-66.2	-40.9	179.2	174	0	0	0	0	109.5	T847 Q848 Y849 H853 L854 K855 F888 R889 V892	T847-V851 PolarHBondContact O-N 3.5Å; Q848-V851 WeakPolarHBondContact O-CB 3.39Å; Q848-V851 PolarHBondContact O-N 3.2Å; Y849-V851 PolarHBondContact O-N 3.42Å; V851-H853 VanDerWaalsContact C-N 3.26Å; V851-H853 PolarHBondContact O-N 2.68Å; V851-L854 PolarHBondContact O-N 2.65Å; V851-K855 HydrophobicContact CG1-CD 4.2Å; V851-K855 HydrophobicContact CG1-CG 4.33Å; V851-K855 WeakPolarHBondContact O-CB 3.29Å; V851-K855 VanDerWaalsContact O-CG 3.22Å; V851-K855 WeakPolarHBondContact O-CG 3.31Å; V851-K855 PolarHBondContact O-N 2.82Å; V851-F888 HydrophobicContact CG2-CB 3.58Å; V851-R889 HydrophobicContact CG1-CG 3.88Å; V851-R889 HydrophobicContact CG2-CG 4.36Å; V851-V892 HydrophobicContact CG2-CG2 3.86Å
852	R	74.2	Confident	72.5	Confident	175 Å²	175	48.7 Å²	48.7	66%	0.66	22%	0.217	S	C	*	.	H	α-helix	trans	-69.2	-36.5	-178	-77.3	-175.6	-172.5	166.4	0.8	111.1	Q848 Y849 M850 K855 Q856	Q848-R852 PolarHBondContact O-N 2.91Å; Y849-R852 PolarHBondContact O-N 2.59Å; Y849-R852 VanDerWaalsContact O-N 3.1Å; M850-R852 VanDerWaalsContact C-N 3.27Å; M850-R852 PolarHBondContact O-N 3.34Å; R852-K855 PolarHBondContact O-N 2.29Å; R852-Q856 WeakPolarHBondContact O-CG 3.16Å; R852-Q856 PolarHBondContact O-N 3Å
853	H	69.1	Low	71.2	Confident	7 Å²	7	47.4 Å²	47.4	3%	0.032	21%	0.209	C	C	.	.	H	α-helix	trans	-69	0	-178.3	-171.6	66.9	0	0	0	110.5	Y849 M850 V851 K855 Q856 Y857 Q975	Y849-H853 HydrophobicContact CD1-CB 4.47Å; Y849-H853 HydrophobicContact CE1-CB 4.21Å; Y849-H853 WeakPolarHBondContact O-CB 2.7Å; Y849-H853 PolarHBondContact O-N 2.53Å; M850-H853 PolarHBondContact O-N 3.29Å; V851-H853 VanDerWaalsContact C-N 3.26Å; V851-H853 PolarHBondContact O-N 2.68Å; H853-K855 VanDerWaalsContact C-N 3.3Å; H853-Q856 WeakPolarHBondContact O-CB 3.09Å; H853-Q856 PolarHBondContact O-N 3.41Å; H853-Y857 AromaticContact CD2-CE2 3.92Å; H853-Y857 AromaticContact NE2-CE2 3.97Å; H853-Y857 PolarHBondContact NE2-OH 3.4Å; H853-Y857 VanDerWaalsContact O-CD2 3.28Å; H853-Y857 WeakPolarHBondContact O-CD2 3.39Å; H853-Y857 WeakPolarHBondContact O-CE2 3.25Å; H853-Q975 PolarHBondContact CE1-OE1 2.82Å; H853-Q975 PolarHBondContact NE2-OE1 3.36Å
854	L	70.7	Confident	69.7	Low	3 Å²	3	54 Å²	54	2%	0.016	23%	0.234	C	C	.	.	H	α-helix		0	0	0	-76.3	172.3	0	0	0	110.3	M850 V851 Q856 Y857 L884 I885 F888 M976	M850-L854 WeakPolarHBondContact O-CB 3.4Å; M850-L854 WeakPolarHBondContact O-CG 3.09Å; M850-L854 PolarHBondContact O-N 3Å; V851-L854 PolarHBondContact O-N 2.65Å; L854-Q856 PolarHBondContact O-N 3.11Å; L854-Y857 HydrophobicContact CD2-CD2 4.46Å; L854-Y857 WeakPolarHBondContact O-CB 3.47Å; L854-Y857 WeakPolarHBondContact O-CD2 3.3Å; L854-Y857 PolarHBondContact O-N 2.93Å; L854-L884 HydrophobicContact CD1-CB 3.99Å; L854-I885 HydrophobicContact CB-CD1 4.06Å; L854-I885 HydrophobicContact CB-CG1 3.45Å; L854-I885 VanDerWaalsContact CB-CG1 3.45Å; L854-I885 HydrophobicContact CD1-CG1 4.21Å; L854-I885 HydrophobicContact CG-CG1 4.45Å; L854-F888 HydrophobicContact CD1-CD2 3.71Å; L854-F888 HydrophobicContact CD1-CE2 3.98Å; L854-M976 HydrophobicContact CB-CE 4.23Å; L854-M976 HydrophobicContact CD1-CE 3.87Å; L854-M976 CovalentContact CD2-CE 1.71Å; L854-M976 HydrophobicContact CD2-CE 1.71Å; L854-M976 HydrophobicContact CD2-CG 3.87Å; L854-M976 HydrophobicContact CD2-SD 3.26Å; L854-M976 WeakPolarHBondContact CD2-SD 3.29Å; L854-M976 HydrophobicContact CG-CE 3.17Å; L854-M976 HydrophobicContact CG-SD 4.44Å
855	K	73.3	Confident	68.4	Low	89 Å²	89	56.4 Å²	56.4	39%	0.387	24%	0.243	S	C	.	.	H	α-helix		0	-21.8	0	-87.4	-171.2	-179.6	-178.7	0	110.9	V851 R852 H853 Y857 E858 I885 R889	V851-K855 HydrophobicContact CG1-CD 4.2Å; V851-K855 HydrophobicContact CG1-CG 4.33Å; V851-K855 WeakPolarHBondContact O-CB 3.29Å; V851-K855 VanDerWaalsContact O-CG 3.22Å; V851-K855 WeakPolarHBondContact O-CG 3.31Å; V851-K855 PolarHBondContact O-N 2.82Å; R852-K855 PolarHBondContact O-N 2.29Å; H853-K855 VanDerWaalsContact C-N 3.3Å; K855-Y857 PolarHBondContact O-N 2.72Å; K855-Y857 VanDerWaalsContact O-N 3.07Å; K855-E858 WeakPolarHBondContact O-CB 3.49Å; K855-E858 PolarHBondContact O-N 2.69Å; K855-I885 HydrophobicContact CG-CD1 4.45Å; K855-R889 VanDerWaalsContact CD-NH2 3.28Å
856	Q	64.8	Low	67.5	Low	110 Å²	110	55.6 Å²	55.6	51%	0.514	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	0	178.1	-66.4	175.7	-7.5	0	0	111.2	R852 H853 L854 Y859	R852-Q856 WeakPolarHBondContact O-CG 3.16Å; R852-Q856 PolarHBondContact O-N 3Å; H853-Q856 WeakPolarHBondContact O-CB 3.09Å; H853-Q856 PolarHBondContact O-N 3.41Å; L854-Q856 PolarHBondContact O-N 3.11Å; Q856-Y859 WeakPolarHBondContact O-CD1 3.45Å; Q856-Y859 WeakPolarHBondContact O-CE1 3.11Å
857	Y	63.6	Low	66.9	Low	7 Å²	7	58.5 Å²	58.5	3%	0.027	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn		0	0	0	-61.4	-77.6	0	0	0	109.6	H853 L854 K855 Y859 L860 V968 L969 G972	H853-Y857 AromaticContact CD2-CE2 3.92Å; H853-Y857 AromaticContact NE2-CE2 3.97Å; H853-Y857 PolarHBondContact NE2-OH 3.4Å; H853-Y857 VanDerWaalsContact O-CD2 3.28Å; H853-Y857 WeakPolarHBondContact O-CD2 3.39Å; H853-Y857 WeakPolarHBondContact O-CE2 3.25Å; L854-Y857 HydrophobicContact CD2-CD2 4.46Å; L854-Y857 WeakPolarHBondContact O-CB 3.47Å; L854-Y857 WeakPolarHBondContact O-CD2 3.3Å; L854-Y857 PolarHBondContact O-N 2.93Å; K855-Y857 PolarHBondContact O-N 2.72Å; K855-Y857 VanDerWaalsContact O-N 3.07Å; Y857-Y859 PolarHBondContact O-N 3.19Å; Y857-L860 HydrophobicContact CD1-CD1 3.97Å; Y857-L860 WeakPolarHBondContact O-CA 3.41Å; Y857-L860 WeakPolarHBondContact O-CB 3.44Å; Y857-L860 PolarHBondContact O-N 3.49Å; Y857-V968 HydrophobicContact CD1-CG1 3.92Å; Y857-V968 HydrophobicContact CE1-CG1 3.51Å; Y857-V968 WeakPolarHBondContact CE1-O 3.4Å; Y857-V968 PolarHBondContact OH-O 2.94Å; Y857-L969 HydrophobicContact CD1-CD2 4.11Å; Y857-G972 WeakPolarHBondContact OH-CA 2.94Å; Y857-G972 PolarHBondContact OH-N 3.44Å; Y857-G972 PolarHBondContact OH-O 3.07Å
858	E	65	Low	66.2	Low	74 Å²	74	65 Å²	65	35%	0.346	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn		0	0	0	-162.8	172.6	179.6	0	0	110.6	K855 L860 L861 L862	K855-E858 WeakPolarHBondContact O-CB 3.49Å; K855-E858 PolarHBondContact O-N 2.69Å; E858-L860 PolarHBondContact O-N 2.83Å; E858-L861 CarbonylContact O-C 2.91Å; E858-L861 WeakPolarHBondContact O-CA 3.32Å; E858-L861 VanDerWaalsContact O-CB 3.24Å; E858-L861 WeakPolarHBondContact O-CB 2.69Å; E858-L861 PolarHBondContact O-N 3.43Å; E858-L862 VanDerWaalsContact O-CG 3.24Å; E858-L862 WeakPolarHBondContact O-CG 3.48Å; E858-L862 PolarHBondContact O-N 2.76Å; E858-L862 VanDerWaalsContact O-N 3.08Å
859	Y	59.9	Low	65.7	Low	57 Å²	57	63 Å²	63	22%	0.224	29%	0.287	C	S	.	.	H	α-helix		0	0	0	67.7	-90.6	0	0	0	111.3	Q856 Y857 L861 L862 H964 N965 V968	Q856-Y859 WeakPolarHBondContact O-CD1 3.45Å; Q856-Y859 WeakPolarHBondContact O-CE1 3.11Å; Y857-Y859 PolarHBondContact O-N 3.19Å; Y859-L861 PolarHBondContact O-N 3.27Å; Y859-L862 PolarHBondContact O-N 2.99Å; Y859-L862 VanDerWaalsContact O-N 3.15Å; Y859-H964 HydrophobicContact CE2-CB 3.81Å; Y859-H964 VanDerWaalsContact OH-C 3.28Å; Y859-H964 PolarHBondContact OH-O 3.21Å; Y859-N965 WeakPolarHBondContact CE2-OD1 3.46Å; Y859-N965 PolarHBondContact OH-OD1 3.27Å; Y859-V968 HydrophobicContact CE1-CG1 4.34Å; Y859-V968 VanDerWaalsContact OH-CB 3.27Å; Y859-V968 WeakPolarHBondContact OH-CB 3.13Å; Y859-V968 WeakPolarHBondContact OH-CG1 3.37Å
860	L	56.5	Low	65.4	Low	7 Å²	7	60.9 Å²	60.9	4%	0.037	29%	0.287	C	S	.	.	H	α-helix		0	-9.6	0	-68.8	171.4	0	0	0	111	Y857 E858 W865 L878 N965 L969	Y857-L860 HydrophobicContact CD1-CD1 3.97Å; Y857-L860 WeakPolarHBondContact O-CA 3.41Å; Y857-L860 WeakPolarHBondContact O-CB 3.44Å; Y857-L860 PolarHBondContact O-N 3.49Å; E858-L860 PolarHBondContact O-N 2.83Å; L860-W865 PolarHBondContact O-NE1 2.98Å; L860-L878 HydrophobicContact CD1-CD2 4.38Å; L860-N965 HydrophobicContact CD2-CB 4.2Å; L860-N965 WeakPolarHBondContact CD2-OD1 3.42Å; L860-L969 HydrophobicContact CD1-CB 4.31Å; L860-L969 HydrophobicContact CD1-CD1 3.25Å; L860-L969 HydrophobicContact CD1-CD2 2.46Å; L860-L969 HydrophobicContact CD1-CG 2.82Å; L860-L969 HydrophobicContact CD2-CD1 3.74Å; L860-L969 HydrophobicContact CD2-CG 4.18Å; L860-L969 HydrophobicContact CG-CD1 4.1Å; L860-L969 HydrophobicContact CG-CD2 3.96Å; L860-L969 HydrophobicContact CG-CG 4.09Å
861	L	58.2	Low	65.1	Low	57 Å²	57	66.9 Å²	66.9	30%	0.298	31%	0.313	S	S	.	.	H	α-helix	trans	-108.7	0	-178.4	-66.5	170	0	0	0	109.6	E858 Y859 R863 L878 I881 P882	E858-L861 CarbonylContact O-C 2.91Å; E858-L861 WeakPolarHBondContact O-CA 3.32Å; E858-L861 VanDerWaalsContact O-CB 3.24Å; E858-L861 WeakPolarHBondContact O-CB 2.69Å; E858-L861 PolarHBondContact O-N 3.43Å; Y859-L861 PolarHBondContact O-N 3.27Å; L861-R863 VanDerWaalsContact C-N 3.3Å; L861-R863 PolarHBondContact O-N 3.06Å; L861-L878 HydrophobicContact CD2-CB 4.14Å; L861-L878 VanDerWaalsContact CD2-O 3.24Å; L861-L878 WeakPolarHBondContact CD2-O 2.85Å; L861-I881 HydrophobicContact CD1-CB 4.01Å; L861-I881 HydrophobicContact CD1-CG2 4.1Å; L861-P882 HydrophobicContact CD1-CB 3.94Å; L861-P882 HydrophobicContact CD1-CG 2.68Å; L861-P882 HydrophobicContact CD2-CG 4.06Å; L861-P882 HydrophobicContact CG-CG 3.92Å
862	L	52.6	Low	64.5	Low	73 Å²	73	66.3 Å²	66.3	38%	0.382	31%	0.309	S	S	.	.	H	α-helix		0	0	0	-77.2	164.6	0	0	0	109.8	E858 Y859	E858-L862 VanDerWaalsContact O-CG 3.24Å; E858-L862 WeakPolarHBondContact O-CG 3.48Å; E858-L862 PolarHBondContact O-N 2.76Å; E858-L862 VanDerWaalsContact O-N 3.08Å; Y859-L862 PolarHBondContact O-N 2.99Å; Y859-L862 VanDerWaalsContact O-N 3.15Å
863	R	54.5	Low	64.2	Low	49 Å²	49	59.1 Å²	59.1	19%	0.185	29%	0.286	C	S	.	.	S	Bend		0	0	0	-100.3	-171.2	-174.6	-173.9	0.7	110.2	L861 W865 P1439 G1440	L861-R863 VanDerWaalsContact C-N 3.3Å; L861-R863 PolarHBondContact O-N 3.06Å; R863-W865 VanDerWaalsContact C-N 3.3Å; R863-W865 PolarHBondContact O-N 2.42Å; R863-P1439 PolarHBondContact NE-O 3.21Å; R863-P1439 PolarHBondContact NH2-O 2.96Å; R863-G1440 CovalentContact NH2-CA 0.73Å; R863-G1440 PolarHBondContact NH2-O 2.94Å
864	R	54.2	Low	64.2	Low	142 Å²	142	66.4 Å²	66.4	54%	0.536	32%	0.318	S	S	.	.				0	103.5	0	-86.3	-173.8	165.6	166.5	-0.7	110.8	P866 C1615 H1619	R864-P866 WeakPolarHBondContact O-CD 3.49Å; R864-P866 VanDerWaalsContact O-N 3.16Å; R864-C1615 PolarHBondContact NH1-O 3.17Å; R864-H1619 WeakPolarHBondContact CB-CE1 3.3Å; R864-H1619 WeakPolarHBondContact CB-NE2 3.23Å; R864-H1619 WeakPolarHBondContact CD-CD2 3.5Å; R864-H1619 WeakPolarHBondContact CD-CE1 3.49Å; R864-H1619 WeakPolarHBondContact CD-ND1 2.69Å; R864-H1619 CovalentContact CD-NE2 1.06Å; R864-H1619 WeakPolarHBondContact CD-NE2 3.4Å; R864-H1619 WeakPolarHBondContact CG-CE1 2.99Å; R864-H1619 WeakPolarHBondContact CG-NE2 3.48Å; R864-H1619 PolarHBondContact NE-CD2 3.43Å; R864-H1619 PolarHBondContact NE-CE1 3.25Å; R864-H1619 VanDerWaalsContact NE-CG 3.27Å; R864-H1619 PolarHBondContact NE-ND1 3.15Å; R864-H1619 VanDerWaalsContact NE-ND1 3.11Å; R864-H1619 PolarHBondContact NE-NE2 2.97Å; R864-H1619 CovalentContact NH1-CD2 1.84Å; R864-H1619 PolarHBondContact NH1-CD2 3.14Å; R864-H1619 PolarHBondContact NH1-CE1 2.99Å; R864-H1619 CovalentContact NH1-CG 1.6Å; R864-H1619 PolarHBondContact NH1-ND1 3.48Å; R864-H1619 PolarHBondContact NH1-NE2 3.11Å
865	W	60.8	Low	63.8	Low	51 Å²	51	69.1 Å²	69.1	19%	0.193	33%	0.332	C	S	.	.			trans	-46.9	120	172	-79.2	74.4	0	0	0	110.5	L860 R863 V867 H869 L872 L876 L878 I956 L960	L860-W865 PolarHBondContact O-NE1 2.98Å; R863-W865 VanDerWaalsContact C-N 3.3Å; R863-W865 PolarHBondContact O-N 2.42Å; W865-V867 PolarHBondContact O-N 3.4Å; W865-H869 HydrophobicContact CE3-CB 3.79Å; W865-H869 HydrophobicContact CZ3-CB 4.28Å; W865-L872 HydrophobicContact CH2-CD2 3.95Å; W865-L872 HydrophobicContact CH2-CG 4.24Å; W865-L872 HydrophobicContact CZ3-CB 4.05Å; W865-L872 HydrophobicContact CZ3-CD2 3.45Å; W865-L872 VanDerWaalsContact CZ3-CD2 3.45Å; W865-L872 HydrophobicContact CZ3-CG 3.83Å; W865-L876 HydrophobicContact CH2-CD1 3.95Å; W865-L876 HydrophobicContact CZ2-CD1 4.38Å; W865-L878 VanDerWaalsContact CE2-CD1 3.43Å; W865-L878 HydrophobicContact CH2-CD1 4.14Å; W865-L878 HydrophobicContact CZ2-CD1 3.15Å; W865-I956 HydrophobicContact CE3-CD1 4.37Å; W865-I956 HydrophobicContact CZ3-CD1 3.69Å; W865-L960 HydrophobicContact CH2-CD2 4.36Å
866	P	65.3	Low	63.3	Low	40 Å²	40	66 Å²	66	26%	0.26	32%	0.319	S	S	.	.			trans	-41.6	0	175	-17.9	24.8	0	0	0	111.8	R864 E868 H869 A870 L959	R864-P866 WeakPolarHBondContact O-CD 3.49Å; R864-P866 VanDerWaalsContact O-N 3.16Å; P866-E868 HydrophobicContact CB-CG 3.68Å; P866-E868 PolarHBondContact O-N 3.45Å; P866-H869 WeakPolarHBondContact O-CA 3.36Å; P866-H869 PolarHBondContact O-N 3.03Å; P866-A870 PolarHBondContact O-N 3.41Å; P866-L959 HydrophobicContact CG-CD1 3.71Å
867	V	67.8	Low	63.3	Low	135 Å²	135	62.2 Å²	62.2	82%	0.818	30%	0.304	S	S	*	.	G	3₁₀ helix		0	-23.3	0	-176.5	0	0	0	0	109.5	W865 H869 A870	W865-V867 PolarHBondContact O-N 3.4Å; V867-H869 VanDerWaalsContact C-N 3.26Å; V867-H869 PolarHBondContact O-N 3.48Å; V867-A870 PolarHBondContact O-N 3.08Å
868	E	67.9	Low	63.5	Low	137 Å²	137	62 Å²	62	64%	0.64	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-77.5	0	-176.1	-2.4	-167.3	-164.8	0	0	111.1	P866 Y949	P866-E868 HydrophobicContact CB-CG 3.68Å; P866-E868 PolarHBondContact O-N 3.45Å; E868-Y949 PolarHBondContact O-OH 3.24Å
869	H	71.1	Confident	63.8	Low	2 Å²	2	62.4 Å²	62.4	1%	0.009	31%	0.308	C	S	.	.	G	3₁₀ helix		0	17	0	-60.2	-63.7	0	0	0	111.2	W865 P866 V867 K871 L872 S873 Y949 D955 I956	W865-H869 HydrophobicContact CE3-CB 3.79Å; W865-H869 HydrophobicContact CZ3-CB 4.28Å; P866-H869 WeakPolarHBondContact O-CA 3.36Å; P866-H869 PolarHBondContact O-N 3.03Å; V867-H869 VanDerWaalsContact C-N 3.26Å; V867-H869 PolarHBondContact O-N 3.48Å; H869-K871 PolarHBondContact O-N 3.03Å; H869-L872 HydrophobicContact CB-CB 4.47Å; H869-L872 WeakPolarHBondContact O-CB 3.26Å; H869-L872 PolarHBondContact O-N 3.36Å; H869-S873 PolarHBondContact O-N 2.79Å; H869-Y949 WeakPolarHBondContact CA-OH 3.21Å; H869-Y949 HydrophobicContact CB-CE1 4.17Å; H869-Y949 WeakPolarHBondContact CB-OH 3.22Å; H869-Y949 AromaticContact CE1-CE1 3.78Å; H869-Y949 AromaticContact CG-CE1 3.91Å; H869-Y949 AromaticContact CG-CZ 3.99Å; H869-Y949 AromaticContact ND1-CE1 2.94Å; H869-Y949 WeakPolarHBondContact ND1-CE1 3.37Å; H869-Y949 AromaticContact ND1-CZ 3.1Å; H869-Y949 PolarHBondContact ND1-OH 2.3Å; H869-D955 IonicContact CE1-OD1 3.52Å; H869-D955 IonicContact CE1-OD2 3.85Å; H869-D955 PolarHBondContact CE1-OD2 3.34Å; H869-D955 IonicContact NE2-OD1 1.92Å; H869-D955 IonicContact NE2-OD2 3.72Å; H869-D955 PolarHBondContact NE2-OD2 3.21Å; H869-D955 VanDerWaalsContact NE2-OD2 3.14Å; H869-I956 HydrophobicContact CB-CD1 3.6Å; H869-I956 VanDerWaalsContact ND1-CD1 3.32Å; H869-I956 WeakPolarHBondContact ND1-CD1 3.43Å
870	A	70.6	Confident	64.5	Low	41 Å²	41	61.1 Å²	61.1	34%	0.339	30%	0.304	S	S	.	.	H	α-helix	trans	-54.9	-31.3	177.3	0	0	0	0	0	110.9	P866 V867 L872 S873 K874	P866-A870 PolarHBondContact O-N 3.41Å; V867-A870 PolarHBondContact O-N 3.08Å; A870-L872 VanDerWaalsContact C-N 3.32Å; A870-S873 PolarHBondContact O-N 3.06Å; A870-K874 WeakPolarHBondContact O-CG 3.39Å; A870-K874 PolarHBondContact O-N 3.1Å
871	K	67.6	Low	65.2	Low	136 Å²	136	60.9 Å²	60.9	59%	0.591	30%	0.303	S	S	*	.	H	α-helix	trans	-65.1	-39.2	178.7	-168.8	174.8	179.1	179	0	111.3	H869 K874 I875	H869-K871 PolarHBondContact O-N 3.03Å; K871-K874 WeakPolarHBondContact O-CB 2.73Å; K871-K874 PolarHBondContact O-N 3.11Å; K871-I875 HydrophobicContact CG-CD1 4.23Å; K871-I875 WeakPolarHBondContact O-CB 3.41Å; K871-I875 WeakPolarHBondContact O-CD1 3.47Å; K871-I875 WeakPolarHBondContact O-CG1 2.81Å; K871-I875 PolarHBondContact O-N 3.42Å
872	L	67.1	Low	66.2	Low	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-68.5	-45.1	178.3	-177.9	62.1	0	0	0	110.7	W865 H869 A870 K874 I875 L876 V946 Y949 I956 L960	W865-L872 HydrophobicContact CH2-CD2 3.95Å; W865-L872 HydrophobicContact CH2-CG 4.24Å; W865-L872 HydrophobicContact CZ3-CB 4.05Å; W865-L872 HydrophobicContact CZ3-CD2 3.45Å; W865-L872 VanDerWaalsContact CZ3-CD2 3.45Å; W865-L872 HydrophobicContact CZ3-CG 3.83Å; H869-L872 HydrophobicContact CB-CB 4.47Å; H869-L872 WeakPolarHBondContact O-CB 3.26Å; H869-L872 PolarHBondContact O-N 3.36Å; A870-L872 VanDerWaalsContact C-N 3.32Å; L872-K874 PolarHBondContact O-N 3.14Å; L872-I875 CarbonylContact O-C 3.51Å; L872-I875 WeakPolarHBondContact O-CA 3.12Å; L872-I875 WeakPolarHBondContact O-CB 3.16Å; L872-I875 PolarHBondContact O-N 3.15Å; L872-L876 HydrophobicContact CD1-CD1 4.48Å; L872-L876 HydrophobicContact CD1-CG 4.45Å; L872-L876 HydrophobicContact CG-CD1 4.14Å; L872-L876 WeakPolarHBondContact O-CG 0.69Å; L872-L876 PolarHBondContact O-N 2.48Å; L872-V946 HydrophobicContact CD1-CG2 4.07Å; L872-Y949 HydrophobicContact CB-CD1 4.06Å; L872-Y949 HydrophobicContact CB-CD2 4.44Å; L872-Y949 HydrophobicContact CB-CE1 3.79Å; L872-Y949 HydrophobicContact CB-CE2 4.18Å; L872-Y949 HydrophobicContact CB-CG 4.38Å; L872-Y949 HydrophobicContact CD1-CD1 4.08Å; L872-Y949 HydrophobicContact CD1-CG 4.08Å; L872-Y949 HydrophobicContact CD2-CD1 3.62Å; L872-Y949 HydrophobicContact CD2-CE1 3.72Å; L872-Y949 HydrophobicContact CD2-CG 4.45Å; L872-Y949 HydrophobicContact CG-CD1 4.15Å; L872-Y949 HydrophobicContact CG-CE1 4.26Å; L872-I956 HydrophobicContact CB-CD1 4.23Å; L872-I956 HydrophobicContact CD2-CD1 2.74Å; L872-I956 HydrophobicContact CD2-CG1 3.93Å; L872-I956 HydrophobicContact CG-CD1 4.07Å; L872-L960 HydrophobicContact CD2-CD1 4.22Å; L872-L960 HydrophobicContact CD2-CD2 4.44Å
873	S	67	Low	67.6	Low	24 Å²	24	60 Å²	60	17%	0.168	30%	0.301	C	S	.	.	H	α-helix	trans	-55.9	-38.7	175.4	170.8	0	0	0	0	111.3	H869 A870 I875 L876 C877 L878	H869-S873 PolarHBondContact O-N 2.79Å; A870-S873 PolarHBondContact O-N 3.06Å; S873-I875 VanDerWaalsContact C-N 3.28Å; S873-L876 PolarHBondContact O-N 3.1Å; S873-C877 PolarHBondContact O-N 3.48Å; S873-C877 VanDerWaalsContact O-N 3.12Å; S873-L878 PolarHBondContact O-N 3.05Å
874	K	68.9	Low	68.7	Low	161 Å²	161	57.7 Å²	57.7	70%	0.7	29%	0.292	S	S	*	.	H	α-helix	trans	-69.6	0	177.1	-80.4	-176	-173.2	177.2	0	111	A870 K871 L872 L876 C877	A870-K874 WeakPolarHBondContact O-CG 3.39Å; A870-K874 PolarHBondContact O-N 3.1Å; K871-K874 WeakPolarHBondContact O-CB 2.73Å; K871-K874 PolarHBondContact O-N 3.11Å; L872-K874 PolarHBondContact O-N 3.14Å; K874-L876 VanDerWaalsContact C-N 3.28Å; K874-L876 PolarHBondContact O-N 2.51Å; K874-C877 PolarHBondContact O-N 3.32Å; K874-C877 VanDerWaalsContact O-N 3.17Å
875	I	63.6	Low	70	Confident	60 Å²	60	51.1 Å²	51.1	31%	0.308	27%	0.267	S	S	.	.	H	α-helix		0	-30.8	0	-70.8	174.3	0	0	0	109.5	K871 L872 S873 C877	K871-I875 HydrophobicContact CG-CD1 4.23Å; K871-I875 WeakPolarHBondContact O-CB 3.41Å; K871-I875 WeakPolarHBondContact O-CD1 3.47Å; K871-I875 WeakPolarHBondContact O-CG1 2.81Å; K871-I875 PolarHBondContact O-N 3.42Å; L872-I875 CarbonylContact O-C 3.51Å; L872-I875 WeakPolarHBondContact O-CA 3.12Å; L872-I875 WeakPolarHBondContact O-CB 3.16Å; L872-I875 PolarHBondContact O-N 3.15Å; S873-I875 VanDerWaalsContact C-N 3.28Å; I875-C877 VanDerWaalsContact C-N 3.32Å; I875-C877 PolarHBondContact O-N 2.99Å
876	L	61.5	Low	71.1	Confident	22 Å²	22	53.4 Å²	53.4	12%	0.115	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	0	-177.4	-71.1	174.1	0	0	0	110	W865 L872 S873 K874 L878 V942 V946 L969	W865-L876 HydrophobicContact CH2-CD1 3.95Å; W865-L876 HydrophobicContact CZ2-CD1 4.38Å; L872-L876 HydrophobicContact CD1-CD1 4.48Å; L872-L876 HydrophobicContact CD1-CG 4.45Å; L872-L876 HydrophobicContact CG-CD1 4.14Å; L872-L876 WeakPolarHBondContact O-CG 0.69Å; L872-L876 PolarHBondContact O-N 2.48Å; S873-L876 PolarHBondContact O-N 3.1Å; K874-L876 VanDerWaalsContact C-N 3.28Å; K874-L876 PolarHBondContact O-N 2.51Å; L876-L878 HydrophobicContact CB-CD1 4.34Å; L876-L878 HydrophobicContact CB-CD2 4.17Å; L876-L878 HydrophobicContact CB-CG 3.75Å; L876-L878 HydrophobicContact CD1-CD1 4.33Å; L876-L878 PolarHBondContact O-N 3.07Å; L876-V942 HydrophobicContact CD2-CG1 3.63Å; L876-V946 HydrophobicContact CD2-CG2 3.92Å; L876-L969 HydrophobicContact CD1-CD1 4.48Å
877	C	65	Low	72.1	Confident	32 Å²	32	52.3 Å²	52.3	22%	0.216	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn		0	34.5	0	-64.2	0	0	0	0	110.7	S873 K874 I875 D879 Q880	S873-C877 PolarHBondContact O-N 3.48Å; S873-C877 VanDerWaalsContact O-N 3.12Å; K874-C877 PolarHBondContact O-N 3.32Å; K874-C877 VanDerWaalsContact O-N 3.17Å; I875-C877 VanDerWaalsContact C-N 3.32Å; I875-C877 PolarHBondContact O-N 2.99Å; C877-D879 VanDerWaalsContact CA-OD1 3.23Å; C877-D879 WeakPolarHBondContact CA-OD1 1.52Å; C877-D879 PolarHBondContact O-N 3.12Å; C877-Q880 HydrophobicContact CB-CG 3.96Å; C877-Q880 WeakPolarHBondContact O-CB 2.17Å; C877-Q880 WeakPolarHBondContact O-CG 3.45Å; C877-Q880 PolarHBondContact O-N 3.42Å; C877-Q880 VanDerWaalsContact O-N 3.11Å
878	L	68.1	Low	72.8	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.01	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-16.4	-177	-67.9	-179.7	0	0	0	110.2	L860 L861 W865 S873 L876 Q880 I881 P882 L969	L860-L878 HydrophobicContact CD1-CD2 4.38Å; L861-L878 HydrophobicContact CD2-CB 4.14Å; L861-L878 VanDerWaalsContact CD2-O 3.24Å; L861-L878 WeakPolarHBondContact CD2-O 2.85Å; W865-L878 VanDerWaalsContact CE2-CD1 3.43Å; W865-L878 HydrophobicContact CH2-CD1 4.14Å; W865-L878 HydrophobicContact CZ2-CD1 3.15Å; S873-L878 PolarHBondContact O-N 3.05Å; L876-L878 HydrophobicContact CB-CD1 4.34Å; L876-L878 HydrophobicContact CB-CD2 4.17Å; L876-L878 HydrophobicContact CB-CG 3.75Å; L876-L878 HydrophobicContact CD1-CD1 4.33Å; L876-L878 PolarHBondContact O-N 3.07Å; L878-Q880 PolarHBondContact O-N 3.44Å; L878-Q880 VanDerWaalsContact O-N 3.09Å; L878-I881 HydrophobicContact CD2-CD1 3.83Å; L878-I881 PolarHBondContact O-N 3.38Å; L878-P882 WeakPolarHBondContact O-CD 2.24Å; L878-L969 HydrophobicContact CD2-CD1 4.34Å; L878-L969 HydrophobicContact CD2-CD2 3.61Å
879	D	71.7	Confident	73.8	Confident	83 Å²	83	43.4 Å²	43.4	44%	0.444	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-10.6	178.8	50.4	-27.9	0	0	0	111.4	C877	C877-D879 VanDerWaalsContact CA-OD1 3.23Å; C877-D879 WeakPolarHBondContact CA-OD1 1.52Å; C877-D879 PolarHBondContact O-N 3.12Å
880	Q	73.6	Confident	74.7	Confident	29 Å²	29	46 Å²	46	14%	0.136	24%	0.239	C	C	.	.	H	α-helix	trans	-90.9	-19.8	-175.3	-58.3	-59.2	-22.2	0	0	110.4	C877 L878 I883 L884 H929 A932 L933	C877-Q880 HydrophobicContact CB-CG 3.96Å; C877-Q880 WeakPolarHBondContact O-CB 2.17Å; C877-Q880 WeakPolarHBondContact O-CG 3.45Å; C877-Q880 PolarHBondContact O-N 3.42Å; C877-Q880 VanDerWaalsContact O-N 3.11Å; L878-Q880 PolarHBondContact O-N 3.44Å; L878-Q880 VanDerWaalsContact O-N 3.09Å; Q880-I883 WeakPolarHBondContact O-CB 2.77Å; Q880-I883 PolarHBondContact O-N 3.45Å; Q880-L884 PolarHBondContact O-N 3.41Å; Q880-L884 VanDerWaalsContact O-N 3.1Å; Q880-H929 HydrophobicContact CB-CB 4.43Å; Q880-H929 PolarHBondContact OE1-CE1 3.28Å; Q880-H929 PolarHBondContact OE1-ND1 3.46Å; Q880-A932 HydrophobicContact CG-CB 3.98Å; Q880-L933 HydrophobicContact CB-CD1 4.25Å; Q880-L933 HydrophobicContact CB-CG 4.12Å
881	I	72.3	Confident	75.6	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-68.6	-45	-170.3	-69	177.6	0	0	0	109.9	L861 L878 I883 L884 I885 L933 L969	L861-I881 HydrophobicContact CD1-CB 4.01Å; L861-I881 HydrophobicContact CD1-CG2 4.1Å; L878-I881 HydrophobicContact CD2-CD1 3.83Å; L878-I881 PolarHBondContact O-N 3.38Å; I881-I883 PolarHBondContact O-N 2.98Å; I881-L884 PolarHBondContact O-N 2.87Å; I881-L884 VanDerWaalsContact O-N 3.1Å; I881-I885 HydrophobicContact CG2-CD1 3.95Å; I881-I885 HydrophobicContact CG2-CG1 4.36Å; I881-I885 WeakPolarHBondContact O-CG1 3.26Å; I881-I885 PolarHBondContact O-N 3.39Å; I881-L933 HydrophobicContact CG1-CD2 4.24Å; I881-L969 HydrophobicContact CD1-CD2 4.43Å
882	P	79.3	Confident	76.6	Confident	45 Å²	45	38.4 Å²	38.4	29%	0.292	20%	0.2	S	C	.	.	H	α-helix	trans	-64.8	-35.3	178.8	-24	31.4	0	0	0	111.7	L861 L878 L884 I885 N886	L861-P882 HydrophobicContact CD1-CB 3.94Å; L861-P882 HydrophobicContact CD1-CG 2.68Å; L861-P882 HydrophobicContact CD2-CG 4.06Å; L861-P882 HydrophobicContact CG-CG 3.92Å; L878-P882 WeakPolarHBondContact O-CD 2.24Å; P882-L884 PolarHBondContact O-N 3.38Å; P882-I885 PolarHBondContact O-N 2.87Å; P882-N886 PolarHBondContact O-N 3.37Å; P882-N886 PolarHBondContact O-ND2 3.3Å
883	I	81.2	Confident	77.7	Confident	68 Å²	68	41.9 Å²	41.9	35%	0.349	22%	0.222	S	C	.	.	H	α-helix	trans	-65.5	-37.8	179.1	-65.1	171.4	0	0	0	109.8	Q880 I881 N886 L887 T925 H929	Q880-I883 WeakPolarHBondContact O-CB 2.77Å; Q880-I883 PolarHBondContact O-N 3.45Å; I881-I883 PolarHBondContact O-N 2.98Å; I883-N886 PolarHBondContact O-N 2.82Å; I883-L887 WeakPolarHBondContact O-CB 3.45Å; I883-L887 PolarHBondContact O-N 3.29Å; I883-T925 HydrophobicContact CG2-CG2 4.18Å; I883-H929 WeakPolarHBondContact CD1-CE1 2.81Å; I883-H929 WeakPolarHBondContact CG2-CD2 2.92Å; I883-H929 VanDerWaalsContact CG2-NE2 3.28Å; I883-H929 WeakPolarHBondContact CG2-NE2 2.97Å
884	L	77.8	Confident	78.8	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-73	-37.8	-178.9	-79.9	167.4	0	0	0	110.5	L854 Q880 I881 P882 N886 L887 F888 H929 C930 L933 M976	L854-L884 HydrophobicContact CD1-CB 3.99Å; Q880-L884 PolarHBondContact O-N 3.41Å; Q880-L884 VanDerWaalsContact O-N 3.1Å; I881-L884 PolarHBondContact O-N 2.87Å; I881-L884 VanDerWaalsContact O-N 3.1Å; P882-L884 PolarHBondContact O-N 3.38Å; L884-N886 VanDerWaalsContact C-N 3.3Å; L884-N886 PolarHBondContact O-N 2.9Å; L884-L887 WeakPolarHBondContact O-CB 3.02Å; L884-L887 PolarHBondContact O-N 3.29Å; L884-F888 HydrophobicContact CD2-CE2 4.4Å; L884-F888 WeakPolarHBondContact O-CD2 2.23Å; L884-F888 PolarHBondContact O-N 3.28Å; L884-H929 HydrophobicContact CD1-CB 4.3Å; L884-H929 HydrophobicContact CD2-CB 3.81Å; L884-H929 HydrophobicContact CG-CB 3.82Å; L884-C930 VanDerWaalsContact CD2-SG 3.55Å; L884-L933 HydrophobicContact CD1-CD1 2.66Å; L884-L933 HydrophobicContact CD1-CG 4.11Å; L884-L933 HydrophobicContact CG-CD1 4.15Å; L884-M976 HydrophobicContact CD1-CE 4.47Å; L884-M976 HydrophobicContact CD1-SD 4.21Å
885	I	81.4	Confident	79.9	Confident	3 Å²	3	34 Å²	34	2%	0.015	19%	0.187	C	C	.	.	H	α-helix	trans	-62	-42.3	178.2	-71.9	175.5	0	0	0	109.4	L854 K855 I881 P882 L887 F888 R889	L854-I885 HydrophobicContact CB-CD1 4.06Å; L854-I885 HydrophobicContact CB-CG1 3.45Å; L854-I885 VanDerWaalsContact CB-CG1 3.45Å; L854-I885 HydrophobicContact CD1-CG1 4.21Å; L854-I885 HydrophobicContact CG-CG1 4.45Å; K855-I885 HydrophobicContact CG-CD1 4.45Å; I881-I885 HydrophobicContact CG2-CD1 3.95Å; I881-I885 HydrophobicContact CG2-CG1 4.36Å; I881-I885 WeakPolarHBondContact O-CG1 3.26Å; I881-I885 PolarHBondContact O-N 3.39Å; P882-I885 PolarHBondContact O-N 2.87Å; I885-L887 PolarHBondContact O-N 3.42Å; I885-F888 PolarHBondContact O-N 2.35Å; I885-R889 HydrophobicContact CG2-CG 4.23Å; I885-R889 VanDerWaalsContact CG2-CZ 3.49Å; I885-R889 WeakPolarHBondContact O-CB 3.01Å; I885-R889 VanDerWaalsContact O-CG 3.27Å; I885-R889 WeakPolarHBondContact O-CG 3.37Å; I885-R889 PolarHBondContact O-N 3.36Å
886	N	85.3	Confident	81.1	Confident	99 Å²	99	34 Å²	34	53%	0.529	19%	0.187	S	C	.	.	H	α-helix	trans	-66	-37.7	179.6	-75	-25.5	0	0	0	111.7	P882 I883 L884 R889 S890	P882-N886 PolarHBondContact O-N 3.37Å; P882-N886 PolarHBondContact O-ND2 3.3Å; I883-N886 PolarHBondContact O-N 2.82Å; L884-N886 VanDerWaalsContact C-N 3.3Å; L884-N886 PolarHBondContact O-N 2.9Å; N886-R889 PolarHBondContact O-N 3.15Å; N886-S890 WeakPolarHBondContact O-CB 3.31Å; N886-S890 PolarHBondContact O-N 3.39Å
887	L	85	Confident	82.4	Confident	17 Å²	17	40.4 Å²	40.4	9%	0.089	22%	0.216	C	C	.	.	H	α-helix	trans	-65.8	0	-179.6	-172.3	73.3	0	0	0	110.9	I883 L884 I885 S890 L891 W914 N922 W926	I883-L887 WeakPolarHBondContact O-CB 3.45Å; I883-L887 PolarHBondContact O-N 3.29Å; L884-L887 WeakPolarHBondContact O-CB 3.02Å; L884-L887 PolarHBondContact O-N 3.29Å; I885-L887 PolarHBondContact O-N 3.42Å; L887-S890 WeakPolarHBondContact O-CB 2.78Å; L887-S890 PolarHBondContact O-N 3.49Å; L887-L891 PolarHBondContact O-N 2.85Å; L887-L891 VanDerWaalsContact O-N 3.12Å; L887-W914 HydrophobicContact CD1-CH2 3.83Å; L887-W914 HydrophobicContact CD1-CZ2 3.77Å; L887-W914 HydrophobicContact CD2-CH2 4.3Å; L887-W914 HydrophobicContact CG-CH2 3.62Å; L887-W914 HydrophobicContact CG-CZ2 3.88Å; L887-W914 WeakPolarHBondContact O-CZ2 1.06Å; L887-N922 HydrophobicContact CD1-CB 4.2Å; L887-W926 VanDerWaalsContact CD2-CA 3.42Å; L887-W926 HydrophobicContact CD2-CB 3.32Å; L887-W926 HydrophobicContact CD2-CG 3.93Å
888	F	83.8	Confident	83.6	Confident	5 Å²	5	39.4 Å²	39.4	2%	0.022	21%	0.21	C	C	.	.	H	α-helix		0	-32.1	0	-85.4	-75.7	0	0	0	109.9	M850 V851 L854 L884 I885 S890 L891 V892 W926	M850-F888 HydrophobicContact CB-CD1 4.01Å; M850-F888 HydrophobicContact CB-CE1 4.09Å; M850-F888 HydrophobicContact CB-CG 4.32Å; M850-F888 HydrophobicContact CB-CZ 4.5Å; M850-F888 HydrophobicContact CE-CD1 3.69Å; M850-F888 HydrophobicContact CE-CD2 3.99Å; M850-F888 HydrophobicContact CE-CE1 2.67Å; M850-F888 HydrophobicContact CE-CE2 3.07Å; M850-F888 HydrophobicContact CE-CG 4.24Å; M850-F888 HydrophobicContact CE-CZ 2.26Å; M850-F888 HydrophobicContact CG-CE1 4.21Å; M850-F888 HydrophobicContact SD-CD1 3.7Å; M850-F888 HydrophobicContact SD-CE1 2.9Å; M850-F888 WeakPolarHBondContact SD-CE1 3.08Å; M850-F888 HydrophobicContact SD-CE2 4.38Å; M850-F888 HydrophobicContact SD-CZ 3.36Å; M850-F888 WeakPolarHBondContact SD-CZ 3.03Å; V851-F888 HydrophobicContact CG2-CB 3.58Å; L854-F888 HydrophobicContact CD1-CD2 3.71Å; L854-F888 HydrophobicContact CD1-CE2 3.98Å; L884-F888 HydrophobicContact CD2-CE2 4.4Å; L884-F888 WeakPolarHBondContact O-CD2 2.23Å; L884-F888 PolarHBondContact O-N 3.28Å; I885-F888 PolarHBondContact O-N 2.35Å; F888-S890 VanDerWaalsContact C-N 3.27Å; F888-S890 PolarHBondContact O-N 3.26Å; F888-L891 WeakPolarHBondContact O-CB 3.44Å; F888-L891 PolarHBondContact O-N 3.35Å; F888-L891 VanDerWaalsContact O-N 3.15Å; F888-V892 VanDerWaalsContact O-CG2 3.25Å; F888-V892 WeakPolarHBondContact O-CG2 2.23Å; F888-V892 PolarHBondContact O-N 3.19Å; F888-W926 HydrophobicContact CE1-CH2 4.38Å; F888-W926 HydrophobicContact CE1-CZ2 4.04Å; F888-W926 AromaticContact CZ-CE2 3.9Å; F888-W926 AromaticContact CZ-CZ2 3.82Å; F888-W926 HydrophobicContact CZ-CZ2 3.82Å; F888-W926 AromaticContact CZ-NE1 3.91Å
889	R	87.9	Confident	84.5	Confident	80 Å²	80	42.9 Å²	42.9	30%	0.302	23%	0.225	S	C	.	.	H	α-helix	trans	-64.2	-39.8	175.2	-81.1	-175.8	179.5	153.8	2	110.8	V851 K855 I885 N886 L891 V892 T893	V851-R889 HydrophobicContact CG1-CG 3.88Å; V851-R889 HydrophobicContact CG2-CG 4.36Å; K855-R889 VanDerWaalsContact CD-NH2 3.28Å; I885-R889 HydrophobicContact CG2-CG 4.23Å; I885-R889 VanDerWaalsContact CG2-CZ 3.49Å; I885-R889 WeakPolarHBondContact O-CB 3.01Å; I885-R889 VanDerWaalsContact O-CG 3.27Å; I885-R889 WeakPolarHBondContact O-CG 3.37Å; I885-R889 PolarHBondContact O-N 3.36Å; N886-R889 PolarHBondContact O-N 3.15Å; R889-L891 PolarHBondContact O-N 3.28Å; R889-V892 PolarHBondContact O-N 3.02Å; R889-T893 WeakPolarHBondContact O-CB 3.45Å; R889-T893 PolarHBondContact O-N 2.88Å; R889-T893 PolarHBondContact O-OG1 3.05Å
890	S	89.7	Confident	85.1	Confident	56 Å²	56	41.8 Å²	41.8	39%	0.392	22%	0.221	S	C	.	.	H	α-helix	trans	-63	-35.1	177.4	176.3	0	0	0	0	111.3	N886 L887 F888 T893 C894 W914	N886-S890 WeakPolarHBondContact O-CB 3.31Å; N886-S890 PolarHBondContact O-N 3.39Å; L887-S890 WeakPolarHBondContact O-CB 2.78Å; L887-S890 PolarHBondContact O-N 3.49Å; F888-S890 VanDerWaalsContact C-N 3.27Å; F888-S890 PolarHBondContact O-N 3.26Å; S890-T893 PolarHBondContact O-N 3.24Å; S890-C894 WeakPolarHBondContact O-CB 2.3Å; S890-C894 PolarHBondContact O-N 3.19Å; S890-W914 PolarHBondContact OG-NE1 3.14Å
891	L	89.1	Confident	85.3	Confident	2 Å²	2	47 Å²	47	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-70.3	0	178	177.3	60.1	0	0	0	110.7	T847 L887 F888 R889 T893 C894 I895 V911 W914	T847-L891 HydrophobicContact CG2-CD2 3.87Å; L887-L891 PolarHBondContact O-N 2.85Å; L887-L891 VanDerWaalsContact O-N 3.12Å; F888-L891 WeakPolarHBondContact O-CB 3.44Å; F888-L891 PolarHBondContact O-N 3.35Å; F888-L891 VanDerWaalsContact O-N 3.15Å; R889-L891 PolarHBondContact O-N 3.28Å; L891-T893 VanDerWaalsContact C-N 3.3Å; L891-T893 PolarHBondContact O-N 2.72Å; L891-C894 VanDerWaalsContact O-CB 3.27Å; L891-C894 WeakPolarHBondContact O-CB 3.12Å; L891-C894 PolarHBondContact O-N 3.16Å; L891-C894 VanDerWaalsContact O-N 3.13Å; L891-I895 HydrophobicContact CG-CD1 4.23Å; L891-I895 VanDerWaalsContact O-CG1 3.29Å; L891-I895 WeakPolarHBondContact O-CG1 3.24Å; L891-I895 PolarHBondContact O-N 2.82Å; L891-V911 HydrophobicContact CD1-CG1 4.36Å; L891-W914 HydrophobicContact CB-CD2 4.29Å; L891-W914 HydrophobicContact CB-CE3 4.41Å; L891-W914 HydrophobicContact CB-CH2 4Å; L891-W914 HydrophobicContact CB-CZ2 3.89Å; L891-W914 HydrophobicContact CB-CZ3 4.26Å; L891-W914 HydrophobicContact CD1-CB 4.44Å; L891-W914 HydrophobicContact CD1-CD2 3.75Å; L891-W914 HydrophobicContact CD1-CE3 3.6Å; L891-W914 HydrophobicContact CD1-CG 4.14Å; L891-W914 HydrophobicContact CD1-CZ3 4.09Å; L891-W914 HydrophobicContact CD2-CZ3 4.4Å; L891-W914 HydrophobicContact CG-CE3 4.47Å
892	V	89.7	Confident	85.3	Confident	16 Å²	16	51.5 Å²	51.5	10%	0.097	27%	0.266	C	S	.	.	H	α-helix		0	-38.7	0	169.6	0	0	0	0	109	Q848 V851 F888 R889 C894 I895 D896	Q848-V892 HydrophobicContact CG-CG1 4.15Å; Q848-V892 HydrophobicContact CG-CG2 4.35Å; V851-V892 HydrophobicContact CG2-CG2 3.86Å; F888-V892 VanDerWaalsContact O-CG2 3.25Å; F888-V892 WeakPolarHBondContact O-CG2 2.23Å; F888-V892 PolarHBondContact O-N 3.19Å; R889-V892 PolarHBondContact O-N 3.02Å; V892-C894 PolarHBondContact O-N 3.37Å; V892-I895 PolarHBondContact O-N 2.17Å; V892-I895 VanDerWaalsContact O-N 3.13Å; V892-D896 WeakPolarHBondContact CG1-OD2 2.75Å; V892-D896 WeakPolarHBondContact O-CB 3.37Å; V892-D896 VanDerWaalsContact O-CG 3.28Å; V892-D896 PolarHBondContact O-N 3.06Å
893	T	89.9	Confident	85.4	Confident	74 Å²	74	49.4 Å²	49.4	45%	0.454	25%	0.253	S	S	.	.	H	α-helix	trans	-64.4	-39.1	177.9	-57.8	0	0	0	0	110.8	R889 S890 L891 I895 D896 Q897	R889-T893 WeakPolarHBondContact O-CB 3.45Å; R889-T893 PolarHBondContact O-N 2.88Å; R889-T893 PolarHBondContact O-OG1 3.05Å; S890-T893 PolarHBondContact O-N 3.24Å; L891-T893 VanDerWaalsContact C-N 3.3Å; L891-T893 PolarHBondContact O-N 2.72Å; T893-I895 PolarHBondContact O-N 3.11Å; T893-D896 PolarHBondContact O-N 3.23Å; T893-Q897 VanDerWaalsContact O-CG 3.23Å; T893-Q897 WeakPolarHBondContact O-CG 3.38Å; T893-Q897 PolarHBondContact O-N 3.5Å; T893-Q897 VanDerWaalsContact O-N 3.16Å
894	C	90.8	Very high	85.7	Confident	19 Å²	19	46.2 Å²	46.2	13%	0.128	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-36.3	177	176.6	0	0	0	0	111	S890 L891 V892 Q897 A910	S890-C894 WeakPolarHBondContact O-CB 2.3Å; S890-C894 PolarHBondContact O-N 3.19Å; L891-C894 VanDerWaalsContact O-CB 3.27Å; L891-C894 WeakPolarHBondContact O-CB 3.12Å; L891-C894 PolarHBondContact O-N 3.16Å; L891-C894 VanDerWaalsContact O-N 3.13Å; V892-C894 PolarHBondContact O-N 3.37Å; C894-Q897 PolarHBondContact O-N 2.15Å; C894-A910 PolarHBondContact SG-O 3.43Å; C894-A910 VanDerWaalsContact SG-O 3.38Å
895	I	90.8	Very high	86.1	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-77	-38.1	-178.4	-67.9	174.4	0	0	0	109	F843 H844 T847 L891 V892 T893 Q897 T898 Y904 M907 V911	F843-I895 HydrophobicContact CD1-CD1 3.98Å; F843-I895 HydrophobicContact CE1-CD1 3.87Å; H844-I895 HydrophobicContact CB-CG2 4.14Å; T847-I895 HydrophobicContact CG2-CD1 4.34Å; L891-I895 HydrophobicContact CG-CD1 4.23Å; L891-I895 VanDerWaalsContact O-CG1 3.29Å; L891-I895 WeakPolarHBondContact O-CG1 3.24Å; L891-I895 PolarHBondContact O-N 2.82Å; V892-I895 PolarHBondContact O-N 2.17Å; V892-I895 VanDerWaalsContact O-N 3.13Å; T893-I895 PolarHBondContact O-N 3.11Å; I895-Q897 PolarHBondContact O-N 3.02Å; I895-T898 WeakPolarHBondContact O-CB 3.11Å; I895-T898 PolarHBondContact O-N 3.46Å; I895-T898 PolarHBondContact O-OG1 3.12Å; I895-Y904 HydrophobicContact CG2-CE1 4.02Å; I895-M907 HydrophobicContact CB-CE 4.4Å; I895-M907 HydrophobicContact CD1-CE 3.75Å; I895-M907 HydrophobicContact CG1-CE 3.99Å; I895-M907 HydrophobicContact CG2-CE 3.51Å; I895-M907 HydrophobicContact CG2-CG 4.3Å; I895-M907 HydrophobicContact CG2-SD 4.03Å; I895-V911 HydrophobicContact CD1-CG2 4.36Å; I895-V911 HydrophobicContact CG1-CG2 3.94Å
896	D	89.3	Confident	86.3	Confident	60 Å²	60	56.7 Å²	56.7	32%	0.321	28%	0.283	S	S	.	.	H	α-helix	trans	-63.3	-26.4	-179.3	-81.5	-19.5	0	0	0	110.8	H844 V892 T893 T898 K899	H844-D896 IonicContact CE1-OD1 3.49Å; H844-D896 PolarHBondContact CE1-OD1 2.96Å; H844-D896 IonicContact NE2-OD1 3.56Å; H844-D896 PolarHBondContact NE2-OD1 3.44Å; V892-D896 WeakPolarHBondContact CG1-OD2 2.75Å; V892-D896 WeakPolarHBondContact O-CB 3.37Å; V892-D896 VanDerWaalsContact O-CG 3.28Å; V892-D896 PolarHBondContact O-N 3.06Å; T893-D896 PolarHBondContact O-N 3.23Å; D896-T898 PolarHBondContact O-N 3.45Å; D896-K899 WeakPolarHBondContact O-CB 3.35Å; D896-K899 PolarHBondContact O-N 3.19Å; D896-K899 VanDerWaalsContact O-N 3.17Å; D896-K899 WeakPolarHBondContact OD1-CE 3.11Å; D896-K899 IonicContact OD1-NZ 3.42Å; D896-K899 PolarHBondContact OD1-NZ 3.48Å; D896-K899 VanDerWaalsContact OD1-NZ 3.12Å
897	Q	89.6	Confident	86.7	Confident	156 Å²	156	52 Å²	52	73%	0.729	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-9.3	179.4	-71.5	173.9	-3.7	0	0	111	T893 C894 I895 K899	T893-Q897 VanDerWaalsContact O-CG 3.23Å; T893-Q897 WeakPolarHBondContact O-CG 3.38Å; T893-Q897 PolarHBondContact O-N 3.5Å; T893-Q897 VanDerWaalsContact O-N 3.16Å; C894-Q897 PolarHBondContact O-N 2.15Å; I895-Q897 PolarHBondContact O-N 3.02Å; Q897-K899 VanDerWaalsContact C-N 3.32Å
898	T	90.1	Very high	86.9	Confident	12 Å²	12	51.1 Å²	51.1	7%	0.074	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	0.8	-178.3	61.8	0	0	0	0	109.5	I895 D896 T900 R905 A910	I895-T898 WeakPolarHBondContact O-CB 3.11Å; I895-T898 PolarHBondContact O-N 3.46Å; I895-T898 PolarHBondContact O-OG1 3.12Å; D896-T898 PolarHBondContact O-N 3.45Å; T898-T900 PolarHBondContact O-N 2.9Å; T898-R905 VanDerWaalsContact CB-O 3.25Å; T898-R905 WeakPolarHBondContact CB-O 3.15Å; T898-R905 PolarHBondContact O-N 3.44Å; T898-A910 HydrophobicContact CG2-CB 3.64Å
899	K	87.1	Confident	87.3	Confident	75 Å²	75	55.6 Å²	55.6	33%	0.326	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	121.3	-177.3	-77.7	-174.4	-179	178.1	0	109.7	F819 H844 D896 Q897 Y904	F819-K899 HydrophobicContact CE1-CB 4.37Å; F819-K899 HydrophobicContact CE1-CG 4.34Å; H844-K899 WeakPolarHBondContact CE1-CE 3.47Å; H844-K899 PolarHBondContact CE1-NZ 3.02Å; H844-K899 VanDerWaalsContact ND1-CE 3.29Å; H844-K899 WeakPolarHBondContact ND1-CE 2.91Å; D896-K899 WeakPolarHBondContact O-CB 3.35Å; D896-K899 PolarHBondContact O-N 3.19Å; D896-K899 VanDerWaalsContact O-N 3.17Å; D896-K899 WeakPolarHBondContact OD1-CE 3.11Å; D896-K899 IonicContact OD1-NZ 3.42Å; D896-K899 PolarHBondContact OD1-NZ 3.48Å; D896-K899 VanDerWaalsContact OD1-NZ 3.12Å; Q897-K899 VanDerWaalsContact C-N 3.32Å; K899-Y904 HydrophobicContact CD-CE1 4.43Å; K899-Y904 HydrophobicContact CG-CD1 4Å; K899-Y904 HydrophobicContact CG-CE1 3.59Å
900	T	84	Confident	87.4	Confident	59 Å²	59	52.9 Å²	52.9	36%	0.362	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	168.6	174.2	60.1	0	0	0	0	108.9	F819 T898 Q902 G903 R905	F819-T900 WeakPolarHBondContact CD1-O 3.43Å; F819-T900 WeakPolarHBondContact CE1-O 3.36Å; T898-T900 PolarHBondContact O-N 2.9Å; T900-Q902 PolarHBondContact O-N 3.42Å; T900-Q902 VanDerWaalsContact O-N 3.13Å; T900-G903 PolarHBondContact N-O 3.4Å; T900-G903 PolarHBondContact O-N 2.95Å; T900-G903 VanDerWaalsContact O-N 3.15Å; T900-G903 PolarHBondContact OG1-O 3.38Å; T900-R905 HydrophobicContact CG2-CB 3.75Å
901	E	76.9	Confident	87.5	Confident	138 Å²	138	50.2 Å²	50.2	65%	0.645	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-20.8	-179.7	-67.3	-176.8	178.2	0	0	111.4
902	Q	71.8	Confident	87.6	Confident	97 Å²	97	51.6 Å²	51.6	45%	0.453	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	0	-176.9	-65.9	-63.7	-26.1	0	0	110.1	F822 T900	F822-Q902 WeakPolarHBondContact CE2-O 3.09Å; T900-Q902 PolarHBondContact O-N 3.42Å; T900-Q902 VanDerWaalsContact O-N 3.13Å
903	G	82.4	Confident	87.6	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)		0	-152.3	0	0	0	0	0	0	111.2	T900	T900-G903 PolarHBondContact N-O 3.4Å; T900-G903 PolarHBondContact O-N 2.95Å; T900-G903 VanDerWaalsContact O-N 3.15Å; T900-G903 PolarHBondContact OG1-O 3.38Å
904	Y	87.9	Confident	87.6	Confident	1 Å²	1	50.9 Å²	50.9	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124	-175.9	-67.6	-75.5	0	0	0	110	Q818 F819 R836 T837 L840 L841 H844 I895 K899 M907	Q818-Y904 PolarHBondContact OE1-OH 3.24Å; F819-Y904 HydrophobicContact CE2-CE2 4.08Å; F819-Y904 HydrophobicContact CZ-CD2 4.12Å; F819-Y904 HydrophobicContact CZ-CE1 4.24Å; F819-Y904 AromaticContact CZ-CE2 3.79Å; F819-Y904 HydrophobicContact CZ-CE2 3.79Å; F819-Y904 HydrophobicContact CZ-CG 4.48Å; F819-Y904 AromaticContact CZ-CZ 3.86Å; R836-Y904 PolarHBondContact NH1-O 3.22Å; R836-Y904 PolarHBondContact NH2-O 2.95Å; T837-Y904 HydrophobicContact CG2-CD2 4.24Å; L840-Y904 HydrophobicContact CB-CD2 3.68Å; L840-Y904 HydrophobicContact CB-CE2 4.22Å; L840-Y904 HydrophobicContact CB-CG 4.35Å; L840-Y904 HydrophobicContact CD1-CD2 4.36Å; L840-Y904 HydrophobicContact CD1-CG 4.42Å; L841-Y904 HydrophobicContact CB-CE2 4.29Å; L841-Y904 HydrophobicContact CD1-CE2 4.29Å; L841-Y904 WeakPolarHBondContact CD1-OH 3.24Å; H844-Y904 WeakPolarHBondContact CB-OH 3.47Å; H844-Y904 AromaticContact ND1-CE1 3.79Å; H844-Y904 AromaticContact ND1-CZ 3.57Å; H844-Y904 PolarHBondContact ND1-OH 3.02Å; I895-Y904 HydrophobicContact CG2-CE1 4.02Å; K899-Y904 HydrophobicContact CD-CE1 4.43Å; K899-Y904 HydrophobicContact CG-CD1 4Å; K899-Y904 HydrophobicContact CG-CE1 3.59Å; Y904-M907 HydrophobicContact CD1-SD 3.99Å; Y904-M907 HydrophobicContact CD2-SD 4.39Å; Y904-M907 HydrophobicContact CE1-SD 4.36Å; Y904-M907 HydrophobicContact CG-SD 4Å
905	R	84.9	Confident	87.3	Confident	199 Å²	199	50.1 Å²	50.1	75%	0.751	25%	0.251	S	S	*	.	S	Bend	trans	-113.3	123.4	173.1	-165	178.7	-169	-100.9	0.6	110.1	T898 T900 M907	T898-R905 VanDerWaalsContact CB-O 3.25Å; T898-R905 WeakPolarHBondContact CB-O 3.15Å; T898-R905 PolarHBondContact O-N 3.44Å; T900-R905 HydrophobicContact CG2-CB 3.75Å; R905-M907 VanDerWaalsContact C-N 3.31Å; R905-M907 PolarHBondContact O-N 3.45Å
906	G	87.2	Confident	87	Confident	24 Å²	24	52.9 Å²	52.9	25%	0.247	27%	0.268	C	S	.	.	S	Bend	trans	76.7	0	173.3	0	0	0	0	0	111.5	E909 A910	G906-E909 WeakPolarHBondContact CA-OE2 2.94Å; G906-E909 PolarHBondContact O-N 3.04Å; G906-A910 WeakPolarHBondContact O-CB 3.06Å; G906-A910 PolarHBondContact O-N 3.08Å; G906-A910 VanDerWaalsContact O-N 3.07Å
907	M	92.2	Very high	86.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.271	C	S	.	.	H	α-helix		0	-45.9	0	179	178.4	178.6	0	0	110.9	L840 F843 H844 I895 Y904 R905 E909 A910 V911 W1008	L840-M907 HydrophobicContact CB-SD 3.9Å; L840-M907 HydrophobicContact CD1-SD 4.48Å; L840-M907 HydrophobicContact CD2-SD 4.39Å; F843-M907 HydrophobicContact CB-CE 4.12Å; F843-M907 HydrophobicContact CD1-CE 3.43Å; F843-M907 VanDerWaalsContact CD1-CE 3.43Å; F843-M907 HydrophobicContact CE1-CE 4.3Å; F843-M907 HydrophobicContact CG-CE 4.22Å; H844-M907 HydrophobicContact CB-CE 4.33Å; I895-M907 HydrophobicContact CB-CE 4.4Å; I895-M907 HydrophobicContact CD1-CE 3.75Å; I895-M907 HydrophobicContact CG1-CE 3.99Å; I895-M907 HydrophobicContact CG2-CE 3.51Å; I895-M907 HydrophobicContact CG2-CG 4.3Å; I895-M907 HydrophobicContact CG2-SD 4.03Å; Y904-M907 HydrophobicContact CD1-SD 3.99Å; Y904-M907 HydrophobicContact CD2-SD 4.39Å; Y904-M907 HydrophobicContact CE1-SD 4.36Å; Y904-M907 HydrophobicContact CG-SD 4Å; R905-M907 VanDerWaalsContact C-N 3.31Å; R905-M907 PolarHBondContact O-N 3.45Å; M907-E909 PolarHBondContact O-N 3.09Å; M907-A910 PolarHBondContact O-N 3Å; M907-V911 HydrophobicContact CG-CG2 4.09Å; M907-V911 VanDerWaalsContact O-CG2 3.22Å; M907-V911 WeakPolarHBondContact O-CG2 3.32Å; M907-V911 PolarHBondContact O-N 2.93Å; M907-W1008 HydrophobicContact CE-CH2 4.42Å; M907-W1008 HydrophobicContact CE-CZ2 4.48Å
908	A	90.8	Very high	85.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-57.3	0	-177.6	0	0	0	0	0	111	V911 L912 E1004 I1007 I1011	A908-V911 PolarHBondContact O-N 2.97Å; A908-L912 WeakPolarHBondContact O-CB 3.28Å; A908-L912 PolarHBondContact O-N 3.21Å; A908-E1004 HydrophobicContact CB-CG 3.61Å; A908-I1007 HydrophobicContact CB-CB 3.99Å; A908-I1007 HydrophobicContact CB-CD1 4.47Å; A908-I1007 HydrophobicContact CB-CG2 3.68Å; A908-I1011 WeakPolarHBondContact O-CD1 3.16Å
909	E	90.9	Very high	84.2	Confident	99 Å²	99	56.2 Å²	56.2	46%	0.463	30%	0.299	S	S	.	.	H	α-helix		0	-35.9	0	-70.4	99.3	175.5	0	0	110.6	G906 M907 V911 A913 I1007	G906-E909 WeakPolarHBondContact CA-OE2 2.94Å; G906-E909 PolarHBondContact O-N 3.04Å; M907-E909 PolarHBondContact O-N 3.09Å; E909-V911 VanDerWaalsContact C-N 3.3Å; E909-A913 WeakPolarHBondContact O-CB 3.47Å; E909-A913 PolarHBondContact O-N 3.41Å; E909-I1007 HydrophobicContact CG-CD1 3.82Å; E909-I1007 WeakPolarHBondContact OE1-CD1 2.79Å
910	A	90.9	Very high	83.6	Confident	22 Å²	22	53.9 Å²	53.9	18%	0.182	29%	0.292	C	S	.	.	H	α-helix	trans	-68.6	-42.6	-178.9	0	0	0	0	0	110.7	C894 T898 G906 M907 A913 W914	C894-A910 PolarHBondContact SG-O 3.43Å; C894-A910 VanDerWaalsContact SG-O 3.38Å; T898-A910 HydrophobicContact CG2-CB 3.64Å; G906-A910 WeakPolarHBondContact O-CB 3.06Å; G906-A910 PolarHBondContact O-N 3.08Å; G906-A910 VanDerWaalsContact O-N 3.07Å; M907-A910 PolarHBondContact O-N 3Å; A910-A913 PolarHBondContact O-N 3.05Å; A910-W914 WeakPolarHBondContact O-CB 3.32Å; A910-W914 PolarHBondContact O-N 2.97Å
911	V	91.1	Very high	83.4	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-66.8	-42.4	-179.9	172.8	0	0	0	0	110.1	F843 L891 I895 M907 A908 E909 A913 W914 L915 I1011	F843-V911 HydrophobicContact CE1-CG1 4.23Å; F843-V911 HydrophobicContact CE1-CG2 4.19Å; F843-V911 HydrophobicContact CZ-CG1 4.25Å; L891-V911 HydrophobicContact CD1-CG1 4.36Å; I895-V911 HydrophobicContact CD1-CG2 4.36Å; I895-V911 HydrophobicContact CG1-CG2 3.94Å; M907-V911 HydrophobicContact CG-CG2 4.09Å; M907-V911 VanDerWaalsContact O-CG2 3.22Å; M907-V911 WeakPolarHBondContact O-CG2 3.32Å; M907-V911 PolarHBondContact O-N 2.93Å; A908-V911 PolarHBondContact O-N 2.97Å; E909-V911 VanDerWaalsContact C-N 3.3Å; V911-A913 VanDerWaalsContact C-N 3.28Å; V911-A913 PolarHBondContact O-N 3.4Å; V911-W914 WeakPolarHBondContact O-CB 3.16Å; V911-W914 PolarHBondContact O-N 3.44Å; V911-L915 HydrophobicContact CG1-CD1 4.05Å; V911-L915 HydrophobicContact CG1-CG 4.36Å; V911-L915 WeakPolarHBondContact O-CG 3.43Å; V911-L915 PolarHBondContact O-N 3.07Å; V911-I1011 HydrophobicContact CB-CD1 4Å; V911-I1011 HydrophobicContact CG1-CD1 3.93Å; V911-I1011 HydrophobicContact CG1-CG2 4.3Å
912	L	90.9	Very high	83.7	Confident	30 Å²	30	47 Å²	47	16%	0.157	26%	0.261	C	S	.	.	H	α-helix	trans	-63.4	-40.5	177.8	-177.2	60.6	0	0	0	110.7	A908 W914 L915 T916 I1007 Q1010 I1011	A908-L912 WeakPolarHBondContact O-CB 3.28Å; A908-L912 PolarHBondContact O-N 3.21Å; L912-W914 PolarHBondContact O-N 2.96Å; L912-L915 PolarHBondContact O-N 3.2Å; L912-T916 HydrophobicContact CD1-CG2 4.32Å; L912-T916 WeakPolarHBondContact O-CB 2.81Å; L912-T916 WeakPolarHBondContact O-CG2 3.16Å; L912-T916 PolarHBondContact O-N 2.93Å; L912-T916 PolarHBondContact O-OG1 3.43Å; L912-I1007 HydrophobicContact CB-CG2 4.18Å; L912-I1007 HydrophobicContact CD2-CG2 3.82Å; L912-Q1010 HydrophobicContact CD1-CB 4.28Å; L912-I1011 HydrophobicContact CB-CD1 4.43Å; L912-I1011 HydrophobicContact CB-CG1 4.06Å; L912-I1011 HydrophobicContact CD1-CG1 4.03Å
913	A	89.2	Confident	84.1	Confident	56 Å²	56	42.9 Å²	42.9	46%	0.463	24%	0.243	S	C	.	.	H	α-helix	trans	-64.3	-37.8	178.5	0	0	0	0	0	110.2	E909 A910 V911 L915 T916 D917	E909-A913 WeakPolarHBondContact O-CB 3.47Å; E909-A913 PolarHBondContact O-N 3.41Å; A910-A913 PolarHBondContact O-N 3.05Å; V911-A913 VanDerWaalsContact C-N 3.28Å; V911-A913 PolarHBondContact O-N 3.4Å; A913-L915 VanDerWaalsContact C-N 3.34Å; A913-T916 WeakPolarHBondContact CA-OG1 1.53Å; A913-T916 CarbonylContact O-C 3.19Å; A913-T916 PolarHBondContact O-N 3.09Å; A913-T916 PolarHBondContact O-OG1 3.42Å; A913-D917 WeakPolarHBondContact O-CA 2.36Å; A913-D917 PolarHBondContact O-N 3.07Å
914	W	90.3	Very high	83.9	Confident	19 Å²	19	48.5 Å²	48.5	7%	0.072	27%	0.267	C	S	.	.	H	α-helix	trans	-67.8	-44	179.5	-174.2	89.8	0	0	0	110.7	L887 S890 L891 A910 V911 L912 T916 D917 N922	L887-W914 HydrophobicContact CD1-CH2 3.83Å; L887-W914 HydrophobicContact CD1-CZ2 3.77Å; L887-W914 HydrophobicContact CD2-CH2 4.3Å; L887-W914 HydrophobicContact CG-CH2 3.62Å; L887-W914 HydrophobicContact CG-CZ2 3.88Å; L887-W914 WeakPolarHBondContact O-CZ2 1.06Å; S890-W914 PolarHBondContact OG-NE1 3.14Å; L891-W914 HydrophobicContact CB-CD2 4.29Å; L891-W914 HydrophobicContact CB-CE3 4.41Å; L891-W914 HydrophobicContact CB-CH2 4Å; L891-W914 HydrophobicContact CB-CZ2 3.89Å; L891-W914 HydrophobicContact CB-CZ3 4.26Å; L891-W914 HydrophobicContact CD1-CB 4.44Å; L891-W914 HydrophobicContact CD1-CD2 3.75Å; L891-W914 HydrophobicContact CD1-CE3 3.6Å; L891-W914 HydrophobicContact CD1-CG 4.14Å; L891-W914 HydrophobicContact CD1-CZ3 4.09Å; L891-W914 HydrophobicContact CD2-CZ3 4.4Å; L891-W914 HydrophobicContact CG-CE3 4.47Å; A910-W914 WeakPolarHBondContact O-CB 3.32Å; A910-W914 PolarHBondContact O-N 2.97Å; V911-W914 WeakPolarHBondContact O-CB 3.16Å; V911-W914 PolarHBondContact O-N 3.44Å; L912-W914 PolarHBondContact O-N 2.96Å; W914-T916 PolarHBondContact O-N 3.07Å; W914-D917 WeakPolarHBondContact O-CB 2.99Å; W914-D917 PolarHBondContact O-N 2.38Å; W914-D917 VanDerWaalsContact O-N 3.14Å; W914-N922 HydrophobicContact CD2-CB 4.46Å; W914-N922 HydrophobicContact CE3-CB 4.31Å; W914-N922 HydrophobicContact CH2-CB 4.04Å; W914-N922 HydrophobicContact CZ2-CB 4.23Å; W914-N922 HydrophobicContact CZ3-CB 4.07Å; W914-N922 PolarHBondContact O-ND2 3.5Å
915	L	85.1	Confident	83.5	Confident	3 Å²	3	50 Å²	50	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-63.9	-26	179.8	-75.2	172.1	0	0	0	111	V911 L912 A913 D917 L923 W926 I1011 L1015	V911-L915 HydrophobicContact CG1-CD1 4.05Å; V911-L915 HydrophobicContact CG1-CG 4.36Å; V911-L915 WeakPolarHBondContact O-CG 3.43Å; V911-L915 PolarHBondContact O-N 3.07Å; L912-L915 PolarHBondContact O-N 3.2Å; A913-L915 VanDerWaalsContact C-N 3.34Å; L915-D917 VanDerWaalsContact C-N 3.28Å; L915-L923 HydrophobicContact CD2-CD1 4.11Å; L915-W926 HydrophobicContact CD2-CE3 4.3Å; L915-W926 HydrophobicContact CD2-CZ3 4.14Å; L915-I1011 HydrophobicContact CD1-CB 4.39Å; L915-I1011 HydrophobicContact CD1-CG1 4.42Å; L915-I1011 HydrophobicContact CD1-CG2 3.6Å; L915-L1015 HydrophobicContact CD1-CD2 4.46Å; L915-L1015 HydrophobicContact CD1-CG 4.3Å; L915-L1015 HydrophobicContact CD2-CD2 4.08Å
916	T	83.5	Confident	83.2	Confident	58 Å²	58	40.8 Å²	40.8	36%	0.356	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	14.2	-176.3	50.5	0	0	0	0	109.5	L912 A913 W914 N918 S919 S920	L912-T916 HydrophobicContact CD1-CG2 4.32Å; L912-T916 WeakPolarHBondContact O-CB 2.81Å; L912-T916 WeakPolarHBondContact O-CG2 3.16Å; L912-T916 PolarHBondContact O-N 2.93Å; L912-T916 PolarHBondContact O-OG1 3.43Å; A913-T916 WeakPolarHBondContact CA-OG1 1.53Å; A913-T916 CarbonylContact O-C 3.19Å; A913-T916 PolarHBondContact O-N 3.09Å; A913-T916 PolarHBondContact O-OG1 3.42Å; W914-T916 PolarHBondContact O-N 3.07Å; T916-N918 PolarHBondContact O-N 2.96Å; T916-S919 PolarHBondContact O-N 3.01Å; T916-S920 PolarHBondContact O-N 3.13Å
917	D	79.2	Confident	82.5	Confident	72 Å²	72	40.2 Å²	40.2	39%	0.385	23%	0.234	S	C	.	.	H	α-helix	trans	-64.7	0	179.9	-164	20.6	0	0	0	110.2	A913 W914 L915 S919 S920 A921 N922	A913-D917 WeakPolarHBondContact O-CA 2.36Å; A913-D917 PolarHBondContact O-N 3.07Å; W914-D917 WeakPolarHBondContact O-CB 2.99Å; W914-D917 PolarHBondContact O-N 2.38Å; W914-D917 VanDerWaalsContact O-N 3.14Å; L915-D917 VanDerWaalsContact C-N 3.28Å; D917-S919 PolarHBondContact O-N 1.91Å; D917-S920 PolarHBondContact O-N 2.99Å; D917-S920 VanDerWaalsContact O-N 3.14Å; D917-A921 WeakPolarHBondContact O-CB 3.18Å; D917-A921 PolarHBondContact O-N 2.41Å; D917-N922 VanDerWaalsContact CB-ND2 3.3Å; D917-N922 WeakPolarHBondContact CB-ND2 2.33Å
918	N	67.9	Low	81.4	Confident	123 Å²	123	47.3 Å²	47.3	66%	0.658	26%	0.261	S	S	*	.	H	α-helix		0	49.4	0	-70.8	-24.1	0	0	0	111.8	T916 S920 A921	T916-N918 PolarHBondContact O-N 2.96Å; N918-S920 VanDerWaalsContact C-N 3.31Å; N918-S920 PolarHBondContact O-N 3.02Å; N918-A921 HydrophobicContact CB-CB 3.47Å; N918-A921 VanDerWaalsContact CB-CB 3.47Å; N918-A921 WeakPolarHBondContact O-CB 3.19Å; N918-A921 PolarHBondContact O-N 1.2Å
919	S	64.9	Low	80.5	Confident	104 Å²	104	48.3 Å²	48.3	73%	0.727	27%	0.266	S	S	*	.	H	α-helix	trans	65.4	0	175.2	-59.8	0	0	0	0	111.2	T916 D917	T916-S919 PolarHBondContact O-N 3.01Å; D917-S919 PolarHBondContact O-N 1.91Å
920	S	73.8	Confident	79.3	Confident	26 Å²	26	44.3 Å²	44.3	18%	0.182	25%	0.248	C	C	.	.	H	α-helix		0	0	0	61.2	0	0	0	0	111	T916 D917 N918 N922 L923 K924	T916-S920 PolarHBondContact O-N 3.13Å; D917-S920 PolarHBondContact O-N 2.99Å; D917-S920 VanDerWaalsContact O-N 3.14Å; N918-S920 VanDerWaalsContact C-N 3.31Å; N918-S920 PolarHBondContact O-N 3.02Å; S920-N922 VanDerWaalsContact C-N 3.31Å; S920-L923 PolarHBondContact O-N 2.95Å; S920-K924 VanDerWaalsContact O-CB 3.28Å; S920-K924 WeakPolarHBondContact O-CB 2.69Å; S920-K924 WeakPolarHBondContact O-CG 3.33Å; S920-K924 PolarHBondContact O-N 3.34Å; S920-K924 VanDerWaalsContact OG-CE 3.23Å; S920-K924 WeakPolarHBondContact OG-CE 3.31Å
921	A	80.1	Confident	78	Confident	28 Å²	28	45.7 Å²	45.7	23%	0.231	25%	0.251	C	S	.	.	H	α-helix		0	-45.7	0	0	0	0	0	0	111	D917 N918 L923 K924 T925	D917-A921 WeakPolarHBondContact O-CB 3.18Å; D917-A921 PolarHBondContact O-N 2.41Å; N918-A921 HydrophobicContact CB-CB 3.47Å; N918-A921 VanDerWaalsContact CB-CB 3.47Å; N918-A921 WeakPolarHBondContact O-CB 3.19Å; N918-A921 PolarHBondContact O-N 1.2Å; A921-L923 VanDerWaalsContact C-N 3.29Å; A921-L923 PolarHBondContact O-N 3.09Å; A921-K924 PolarHBondContact O-N 2.96Å; A921-T925 VanDerWaalsContact O-CB 3.3Å; A921-T925 WeakPolarHBondContact O-CB 3.44Å; A921-T925 PolarHBondContact O-N 3.23Å; A921-T925 PolarHBondContact O-OG1 3.33Å
922	N	83.6	Confident	76.6	Confident	23 Å²	23	47.1 Å²	47.1	12%	0.123	26%	0.263	C	S	.	.	H	α-helix	trans	-60.8	-44.2	-179	-71.8	-22.2	0	0	0	111.7	L887 W914 D917 S920 K924 T925 W926	L887-N922 HydrophobicContact CD1-CB 4.2Å; W914-N922 HydrophobicContact CD2-CB 4.46Å; W914-N922 HydrophobicContact CE3-CB 4.31Å; W914-N922 HydrophobicContact CH2-CB 4.04Å; W914-N922 HydrophobicContact CZ2-CB 4.23Å; W914-N922 HydrophobicContact CZ3-CB 4.07Å; W914-N922 PolarHBondContact O-ND2 3.5Å; D917-N922 VanDerWaalsContact CB-ND2 3.3Å; D917-N922 WeakPolarHBondContact CB-ND2 2.33Å; S920-N922 VanDerWaalsContact C-N 3.31Å; N922-K924 PolarHBondContact O-N 3.29Å; N922-T925 PolarHBondContact O-N 3.28Å; N922-W926 WeakPolarHBondContact O-CB 3.39Å; N922-W926 PolarHBondContact O-N 3.4Å
923	L	80.2	Confident	75.1	Confident	12 Å²	12	45.9 Å²	45.9	6%	0.063	26%	0.257	C	S	.	.	H	α-helix	trans	-63.4	-38.1	179.3	-174.2	66.6	0	0	0	110.9	L915 S920 A921 T925 W926 A927 K1014 L1015 L1018	L915-L923 HydrophobicContact CD2-CD1 4.11Å; S920-L923 PolarHBondContact O-N 2.95Å; A921-L923 VanDerWaalsContact C-N 3.29Å; A921-L923 PolarHBondContact O-N 3.09Å; L923-T925 VanDerWaalsContact C-N 3.31Å; L923-W926 HydrophobicContact CD1-CE3 4.5Å; L923-W926 PolarHBondContact O-N 2.71Å; L923-A927 WeakPolarHBondContact O-CB 3.47Å; L923-A927 PolarHBondContact O-N 3.46Å; L923-K1014 HydrophobicContact CD2-CB 4.33Å; L923-L1015 HydrophobicContact CD1-CD2 4.34Å; L923-L1018 HydrophobicContact CD1-CD1 3.7Å; L923-L1018 HydrophobicContact CD1-CD2 3.63Å; L923-L1018 HydrophobicContact CD1-CG 3.67Å; L923-L1018 HydrophobicContact CG-CD2 3.72Å; L923-L1018 HydrophobicContact CG-CG 4.17Å; L923-L1018 WeakPolarHBondContact O-CD2 3.34Å
924	K	77.6	Confident	73.2	Confident	118 Å²	118	44.1 Å²	44.1	51%	0.513	24%	0.241	S	C	.	.	H	α-helix	trans	-69.4	-41.2	-179.6	-75.5	-177.9	-176.6	177.5	0	110.1	S920 A921 N922 W926 A927 R928	S920-K924 VanDerWaalsContact O-CB 3.28Å; S920-K924 WeakPolarHBondContact O-CB 2.69Å; S920-K924 WeakPolarHBondContact O-CG 3.33Å; S920-K924 PolarHBondContact O-N 3.34Å; S920-K924 VanDerWaalsContact OG-CE 3.23Å; S920-K924 WeakPolarHBondContact OG-CE 3.31Å; A921-K924 PolarHBondContact O-N 2.96Å; N922-K924 PolarHBondContact O-N 3.29Å; K924-W926 VanDerWaalsContact C-N 3.33Å; K924-A927 PolarHBondContact O-N 2.82Å; K924-R928 WeakPolarHBondContact O-CB 3.47Å; K924-R928 PolarHBondContact O-N 3.44Å
925	T	79.7	Confident	70.9	Confident	34 Å²	34	46.1 Å²	46.1	21%	0.209	26%	0.257	C	S	.	.	H	α-helix	trans	-64.6	-46.9	177.9	-55.5	0	0	0	0	110.9	I883 A921 N922 L923 A927 R928 H929	I883-T925 HydrophobicContact CG2-CG2 4.18Å; A921-T925 VanDerWaalsContact O-CB 3.3Å; A921-T925 WeakPolarHBondContact O-CB 3.44Å; A921-T925 PolarHBondContact O-N 3.23Å; A921-T925 PolarHBondContact O-OG1 3.33Å; N922-T925 PolarHBondContact O-N 3.28Å; L923-T925 VanDerWaalsContact C-N 3.31Å; T925-A927 VanDerWaalsContact C-N 3.26Å; T925-A927 PolarHBondContact O-N 3.25Å; T925-R928 PolarHBondContact O-N 3.46Å; T925-H929 WeakPolarHBondContact CG2-CD2 3.35Å; T925-H929 PolarHBondContact O-CD2 2.91Å; T925-H929 PolarHBondContact O-N 2.59Å
926	W	77.9	Confident	69.1	Low	4 Å²	4	46.8 Å²	46.8	2%	0.015	26%	0.262	C	S	.	.	H	α-helix	trans	-54.3	-45.3	176.2	-179.7	-2.9	0	0	0	111.2	L887 F888 L915 N922 L923 K924 R928 H929 C930 Y980 L983 L1015	L887-W926 VanDerWaalsContact CD2-CA 3.42Å; L887-W926 HydrophobicContact CD2-CB 3.32Å; L887-W926 HydrophobicContact CD2-CG 3.93Å; F888-W926 HydrophobicContact CE1-CH2 4.38Å; F888-W926 HydrophobicContact CE1-CZ2 4.04Å; F888-W926 AromaticContact CZ-CE2 3.9Å; F888-W926 AromaticContact CZ-CZ2 3.82Å; F888-W926 HydrophobicContact CZ-CZ2 3.82Å; F888-W926 AromaticContact CZ-NE1 3.91Å; L915-W926 HydrophobicContact CD2-CE3 4.3Å; L915-W926 HydrophobicContact CD2-CZ3 4.14Å; N922-W926 WeakPolarHBondContact O-CB 3.39Å; N922-W926 PolarHBondContact O-N 3.4Å; L923-W926 HydrophobicContact CD1-CE3 4.5Å; L923-W926 PolarHBondContact O-N 2.71Å; K924-W926 VanDerWaalsContact C-N 3.33Å; W926-R928 PolarHBondContact O-N 3.08Å; W926-H929 PolarHBondContact O-N 3Å; W926-C930 PolarHBondContact NE1-SG 2.82Å; W926-C930 VanDerWaalsContact O-CB 3.25Å; W926-C930 WeakPolarHBondContact O-CB 3.05Å; W926-C930 PolarHBondContact O-N 3.25Å; W926-C930 PolarHBondContact O-SG 3.09Å; W926-Y980 HydrophobicContact CD2-CE2 4.47Å; W926-Y980 AromaticContact CE2-CD2 3.67Å; W926-Y980 AromaticContact CE2-CE2 3.8Å; W926-Y980 AromaticContact CZ2-CD2 3.81Å; W926-Y980 HydrophobicContact CZ2-CD2 3.81Å; W926-Y980 HydrophobicContact CZ2-CE2 4.18Å; W926-Y980 AromaticContact NE1-CD2 3.21Å; W926-Y980 AromaticContact NE1-CE2 3.48Å; W926-L983 HydrophobicContact CH2-CD1 4.27Å; W926-L983 HydrophobicContact CH2-CD2 3.62Å; W926-L983 HydrophobicContact CH2-CG 4.4Å; W926-L983 HydrophobicContact CZ2-CD1 4.19Å; W926-L983 HydrophobicContact CZ2-CD2 4.36Å; W926-L1015 HydrophobicContact CE3-CD2 4.15Å; W926-L1015 HydrophobicContact CH2-CD2 3.6Å; W926-L1015 HydrophobicContact CZ3-CD2 3.29Å
927	A	71.9	Confident	67.2	Low	12 Å²	12	47.1 Å²	47.1	10%	0.099	26%	0.261	C	S	.	.	H	α-helix	trans	-66.5	-40.7	-178.5	0	0	0	0	0	110.5	L923 K924 T925 H929 Q931 L1018	L923-A927 WeakPolarHBondContact O-CB 3.47Å; L923-A927 PolarHBondContact O-N 3.46Å; K924-A927 PolarHBondContact O-N 2.82Å; T925-A927 VanDerWaalsContact C-N 3.26Å; T925-A927 PolarHBondContact O-N 3.25Å; A927-H929 VanDerWaalsContact C-N 3.31Å; A927-H929 PolarHBondContact O-N 1.42Å; A927-Q931 WeakPolarHBondContact O-CB 2.48Å; A927-Q931 PolarHBondContact O-N 2.99Å; A927-L1018 HydrophobicContact CB-CD2 2.95Å; A927-L1018 HydrophobicContact CB-CG 4.36Å
928	R	69.9	Low	65.5	Low	149 Å²	149	45.5 Å²	45.5	56%	0.562	25%	0.252	S	S	*	.	H	α-helix	trans	-66.7	-43.2	-175.2	-173	-174.1	-72.7	120.9	0.5	110.3	K924 T925 W926 Q931 A932	K924-R928 WeakPolarHBondContact O-CB 3.47Å; K924-R928 PolarHBondContact O-N 3.44Å; T925-R928 PolarHBondContact O-N 3.46Å; W926-R928 PolarHBondContact O-N 3.08Å; R928-Q931 PolarHBondContact O-N 3.41Å; R928-A932 WeakPolarHBondContact O-CB 2.71Å; R928-A932 PolarHBondContact O-N 3.09Å
929	H	72	Confident	64.5	Low	21 Å²	21	40.9 Å²	40.9	10%	0.097	23%	0.227	C	C	.	.	H	α-helix	trans	-85.3	-34.2	-172.2	-71.2	-67.1	0	0	0	110.6	Q880 I883 L884 T925 W926 A927 Q931 A932 L933	Q880-H929 HydrophobicContact CB-CB 4.43Å; Q880-H929 PolarHBondContact OE1-CE1 3.28Å; Q880-H929 PolarHBondContact OE1-ND1 3.46Å; I883-H929 WeakPolarHBondContact CD1-CE1 2.81Å; I883-H929 WeakPolarHBondContact CG2-CD2 2.92Å; I883-H929 VanDerWaalsContact CG2-NE2 3.28Å; I883-H929 WeakPolarHBondContact CG2-NE2 2.97Å; L884-H929 HydrophobicContact CD1-CB 4.3Å; L884-H929 HydrophobicContact CD2-CB 3.81Å; L884-H929 HydrophobicContact CG-CB 3.82Å; T925-H929 WeakPolarHBondContact CG2-CD2 3.35Å; T925-H929 PolarHBondContact O-CD2 2.91Å; T925-H929 PolarHBondContact O-N 2.59Å; W926-H929 PolarHBondContact O-N 3Å; A927-H929 VanDerWaalsContact C-N 3.31Å; A927-H929 PolarHBondContact O-N 1.42Å; H929-Q931 VanDerWaalsContact C-N 3.31Å; H929-A932 PolarHBondContact O-N 3.22Å; H929-L933 PolarHBondContact O-N 3.23Å; H929-L933 VanDerWaalsContact O-N 3.12Å
930	C	66.1	Low	63.5	Low	15 Å²	15	41.5 Å²	41.5	10%	0.101	22%	0.219	C	C	.	.	H	α-helix	trans	-65	0	173.6	-75.8	0	0	0	0	110.8	L884 W926 A932 L933 S934 Y980	L884-C930 VanDerWaalsContact CD2-SG 3.55Å; W926-C930 PolarHBondContact NE1-SG 2.82Å; W926-C930 VanDerWaalsContact O-CB 3.25Å; W926-C930 WeakPolarHBondContact O-CB 3.05Å; W926-C930 PolarHBondContact O-N 3.25Å; W926-C930 PolarHBondContact O-SG 3.09Å; C930-A932 VanDerWaalsContact C-N 3.29Å; C930-L933 CarbonylContact O-C 3.45Å; C930-L933 PolarHBondContact O-N 3.38Å; C930-L933 VanDerWaalsContact O-N 3.11Å; C930-S934 VanDerWaalsContact O-CB 3.23Å; C930-S934 WeakPolarHBondContact O-CB 3.33Å; C930-S934 PolarHBondContact O-N 3.08Å; C930-S934 PolarHBondContact O-OG 3.42Å; C930-S934 VanDerWaalsContact O-OG 3.07Å; C930-Y980 HydrophobicContact CB-CD2 4.18Å; C930-Y980 HydrophobicContact CB-CE2 4.36Å
931	Q	62.5	Low	62.1	Low	52 Å²	52	41.3 Å²	41.3	24%	0.243	22%	0.217	C	C	.	.	H	α-helix		0	-38.2	0	-171.9	172.4	0.6	0	0	110.3	A927 R928 H929 L933 S934 C935 T1021	A927-Q931 WeakPolarHBondContact O-CB 2.48Å; A927-Q931 PolarHBondContact O-N 2.99Å; R928-Q931 PolarHBondContact O-N 3.41Å; H929-Q931 VanDerWaalsContact C-N 3.31Å; Q931-L933 PolarHBondContact O-N 3.43Å; Q931-S934 WeakPolarHBondContact CA-OG 3.2Å; Q931-S934 PolarHBondContact O-N 3.33Å; Q931-S934 PolarHBondContact O-OG 3.43Å; Q931-S934 VanDerWaalsContact O-OG 3.04Å; Q931-C935 WeakPolarHBondContact CG-SG 3.2Å; Q931-C935 WeakPolarHBondContact O-CB 3.49Å; Q931-C935 PolarHBondContact O-N 3.02Å; Q931-C935 PolarHBondContact O-SG 3.06Å; Q931-T1021 HydrophobicContact CB-CG2 3.68Å; Q931-T1021 HydrophobicContact CG-CG2 2.91Å; Q931-T1021 VanDerWaalsContact NE2-CG2 3.26Å
932	A	61.7	Low	60.7	Low	30 Å²	30	41 Å²	41	25%	0.248	21%	0.213	C	C	.	.	H	α-helix	trans	-65.3	-31.1	179.8	0	0	0	0	0	110.7	Q880 R928 H929 C930	Q880-A932 HydrophobicContact CG-CB 3.98Å; R928-A932 WeakPolarHBondContact O-CB 2.71Å; R928-A932 PolarHBondContact O-N 3.09Å; H929-A932 PolarHBondContact O-N 3.22Å; C930-A932 VanDerWaalsContact C-N 3.29Å
933	L	59.8	Low	59.3	Low	5 Å²	5	43.4 Å²	43.4	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-87.3	0	-178.6	-79.5	161.2	0	0	0	111	Q880 I881 L884 H929 C930 Q931 S936 L973 M976	Q880-L933 HydrophobicContact CB-CD1 4.25Å; Q880-L933 HydrophobicContact CB-CG 4.12Å; I881-L933 HydrophobicContact CG1-CD2 4.24Å; L884-L933 HydrophobicContact CD1-CD1 2.66Å; L884-L933 HydrophobicContact CD1-CG 4.11Å; L884-L933 HydrophobicContact CG-CD1 4.15Å; H929-L933 PolarHBondContact O-N 3.23Å; H929-L933 VanDerWaalsContact O-N 3.12Å; C930-L933 CarbonylContact O-C 3.45Å; C930-L933 PolarHBondContact O-N 3.38Å; C930-L933 VanDerWaalsContact O-N 3.11Å; Q931-L933 PolarHBondContact O-N 3.43Å; L933-S936 VanDerWaalsContact O-CB 3.3Å; L933-S936 WeakPolarHBondContact O-CB 3.26Å; L933-S936 PolarHBondContact O-OG 3.14Å; L933-L973 HydrophobicContact CB-CD2 3.94Å; L933-L973 HydrophobicContact CD2-CD2 3.3Å; L933-L973 HydrophobicContact CG-CD2 4.19Å; L933-M976 HydrophobicContact CD1-CE 4.24Å; L933-M976 HydrophobicContact CD1-SD 3.74Å
934	S	49	Very low	58.3	Low	19 Å²	19	45 Å²	45	13%	0.133	23%	0.227	C	C	.	.	H	α-helix		0	-28.3	0	61.2	0	0	0	0	110.3	C930 Q931 S936 N937	C930-S934 VanDerWaalsContact O-CB 3.23Å; C930-S934 WeakPolarHBondContact O-CB 3.33Å; C930-S934 PolarHBondContact O-N 3.08Å; C930-S934 PolarHBondContact O-OG 3.42Å; C930-S934 VanDerWaalsContact O-OG 3.07Å; Q931-S934 WeakPolarHBondContact CA-OG 3.2Å; Q931-S934 PolarHBondContact O-N 3.33Å; Q931-S934 PolarHBondContact O-OG 3.43Å; Q931-S934 VanDerWaalsContact O-OG 3.04Å; S934-S936 PolarHBondContact O-N 3.46Å; S934-S936 VanDerWaalsContact O-N 3.11Å; S934-N937 PolarHBondContact O-N 3.05Å; S934-N937 VanDerWaalsContact O-N 3.08Å; S934-N937 PolarHBondContact O-ND2 3.38Å; S934-N937 PolarHBondContact O-OD1 3.03Å
935	C	43.4	Very low	57.3	Low	60 Å²	60	40.9 Å²	40.9	41%	0.405	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	3.1	176.9	-70.2	0	0	0	0	109.6	Q931 N937	Q931-C935 WeakPolarHBondContact CG-SG 3.2Å; Q931-C935 WeakPolarHBondContact O-CB 3.49Å; Q931-C935 PolarHBondContact O-N 3.02Å; Q931-C935 PolarHBondContact O-SG 3.06Å; C935-N937 PolarHBondContact O-N 2.95Å
936	S	45.6	Very low	56.6	Low	18 Å²	18	40.7 Å²	40.7	13%	0.126	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	0	163.5	38.7	0	0	0	0	111.7	L933 S934 M938 L939	L933-S936 VanDerWaalsContact O-CB 3.3Å; L933-S936 WeakPolarHBondContact O-CB 3.26Å; L933-S936 PolarHBondContact O-OG 3.14Å; S934-S936 PolarHBondContact O-N 3.46Å; S934-S936 VanDerWaalsContact O-N 3.11Å; S936-M938 CarbonylContact O-C 3.44Å; S936-M938 WeakPolarHBondContact O-CA 3.31Å; S936-M938 PolarHBondContact O-N 3Å; S936-L939 VanDerWaalsContact C-N 3.32Å; S936-L939 WeakPolarHBondContact O-CA 3.06Å; S936-L939 WeakPolarHBondContact O-CB 3.47Å; S936-L939 WeakPolarHBondContact O-CG 2.78Å; S936-L939 PolarHBondContact O-N 3.46Å
937	N	43.9	Very low	56	Low	64 Å²	64	46.1 Å²	46.1	34%	0.342	23%	0.232	S	C	.	.				0	21.1	0	-74.1	-17.5	0	0	0	111.7	S934 C935 L939 R977	S934-N937 PolarHBondContact O-N 3.05Å; S934-N937 VanDerWaalsContact O-N 3.08Å; S934-N937 PolarHBondContact O-ND2 3.38Å; S934-N937 PolarHBondContact O-OD1 3.03Å; C935-N937 PolarHBondContact O-N 2.95Å; N937-L939 VanDerWaalsContact C-N 3.28Å; N937-R977 PolarHBondContact OD1-NH1 3.34Å
938	M	43.1	Very low	55.8	Low	38 Å²	38	47.6 Å²	47.6	19%	0.187	24%	0.239	C	C	.	.			trans	-106.2	0	150.6	-79.6	-162.1	72.9	0	0	110.3	S936 E940 S941 V942 L1070	S936-M938 CarbonylContact O-C 3.44Å; S936-M938 WeakPolarHBondContact O-CA 3.31Å; S936-M938 PolarHBondContact O-N 3Å; M938-E940 CarbonylContact O-C 3.56Å; M938-E940 WeakPolarHBondContact O-CA 2.43Å; M938-E940 PolarHBondContact O-N 3Å; M938-S941 WeakPolarHBondContact CB-OG 2.36Å; M938-S941 CovalentContact CE-OG 1.64Å; M938-S941 WeakPolarHBondContact CE-OG 3.33Å; M938-S941 WeakPolarHBondContact CG-OG 3.11Å; M938-S941 CarbonylContact O-C 3.6Å; M938-S941 WeakPolarHBondContact O-CA 3.27Å; M938-S941 WeakPolarHBondContact O-CB 3.42Å; M938-S941 PolarHBondContact O-N 3.48Å; M938-S941 WeakPolarHBondContact SD-CB 3Å; M938-S941 PolarHBondContact SD-OG 3.33Å; M938-V942 PolarHBondContact O-N 3.02Å; M938-L1070 HydrophobicContact CE-CD1 2.09Å; M938-L1070 HydrophobicContact CE-CD2 4.12Å; M938-L1070 HydrophobicContact CE-CG 3.35Å; M938-L1070 HydrophobicContact CG-CD1 4.15Å; M938-L1070 HydrophobicContact SD-CD1 3.1Å; M938-L1070 WeakPolarHBondContact SD-CD1 3.01Å
939	L	48.8	Very low	55.7	Low	27 Å²	27	40.9 Å²	40.9	14%	0.141	21%	0.213	C	C	.	.	H	α-helix		0	-23.6	0	-81.8	163.6	0	0	0	110.6	S936 N937 R943 I970 K974	S936-L939 VanDerWaalsContact C-N 3.32Å; S936-L939 WeakPolarHBondContact O-CA 3.06Å; S936-L939 WeakPolarHBondContact O-CB 3.47Å; S936-L939 WeakPolarHBondContact O-CG 2.78Å; S936-L939 PolarHBondContact O-N 3.46Å; N937-L939 VanDerWaalsContact C-N 3.28Å; L939-R943 VanDerWaalsContact O-CA 3.29Å; L939-R943 WeakPolarHBondContact O-CA 3.16Å; L939-R943 WeakPolarHBondContact O-CB 3.2Å; L939-R943 WeakPolarHBondContact O-CD 3.29Å; L939-R943 WeakPolarHBondContact O-CG 3.34Å; L939-R943 PolarHBondContact O-N 3.22Å; L939-I970 HydrophobicContact CD2-CB 4.37Å; L939-I970 HydrophobicContact CD2-CG1 4.33Å; L939-I970 HydrophobicContact CD2-CG2 3.6Å; L939-K974 HydrophobicContact CD1-CG 4.1Å
940	E	42.9	Very low	55.6	Low	116 Å²	116	41.6 Å²	41.6	54%	0.542	22%	0.219	S	C	.	.	H	α-helix	trans	-81.2	0	175.8	-166.2	63	-152.8	0	0	111.1	M938 R943 H944	M938-E940 CarbonylContact O-C 3.56Å; M938-E940 WeakPolarHBondContact O-CA 2.43Å; M938-E940 PolarHBondContact O-N 3Å; E940-R943 WeakPolarHBondContact O-CB 2.86Å; E940-R943 PolarHBondContact O-N 3.02Å; E940-R943 IonicContact OE2-NH1 3.93Å; E940-H944 WeakPolarHBondContact O-CA 3.27Å; E940-H944 WeakPolarHBondContact O-CB 3.2Å; E940-H944 PolarHBondContact O-N 2.82Å
941	S	44.7	Very low	55.8	Low	22 Å²	22	48.6 Å²	48.6	15%	0.154	24%	0.243	C	C	.	.	H	α-helix		0	0	0	-67.9	0	0	0	0	111.6	M938 R943 H944 S945 L1070	M938-S941 WeakPolarHBondContact CB-OG 2.36Å; M938-S941 CovalentContact CE-OG 1.64Å; M938-S941 WeakPolarHBondContact CE-OG 3.33Å; M938-S941 WeakPolarHBondContact CG-OG 3.11Å; M938-S941 CarbonylContact O-C 3.6Å; M938-S941 WeakPolarHBondContact O-CA 3.27Å; M938-S941 WeakPolarHBondContact O-CB 3.42Å; M938-S941 PolarHBondContact O-N 3.48Å; M938-S941 WeakPolarHBondContact SD-CB 3Å; M938-S941 PolarHBondContact SD-OG 3.33Å; S941-R943 VanDerWaalsContact C-N 3.32Å; S941-H944 CarbonylContact O-C 3.49Å; S941-H944 PolarHBondContact O-N 3.31Å; S941-S945 WeakPolarHBondContact O-CA 3.48Å; S941-S945 WeakPolarHBondContact O-CB 3.16Å; S941-S945 PolarHBondContact O-N 3.49Å; S941-S945 PolarHBondContact O-OG 3.47Å; S941-L1070 WeakPolarHBondContact OG-CD1 3.33Å
942	V	49.5	Very low	56.5	Low	23 Å²	23	54 Å²	54	14%	0.139	26%	0.261	C	S	.	.	H	α-helix		0	0	0	173.6	0	0	0	0	109.8	L876 M938 H944 S945 V946	L876-V942 HydrophobicContact CD2-CG1 3.63Å; M938-V942 PolarHBondContact O-N 3.02Å; V942-H944 VanDerWaalsContact C-N 3.27Å; V942-S945 PolarHBondContact O-N 2.81Å; V942-V946 HydrophobicContact CG1-CG2 3.8Å; V942-V946 WeakPolarHBondContact O-CA 3.34Å; V942-V946 WeakPolarHBondContact O-CB 3.26Å; V942-V946 WeakPolarHBondContact O-CG2 3.17Å; V942-V946 PolarHBondContact O-N 2.87Å
943	R	55.3	Low	57.2	Low	73 Å²	73	55.7 Å²	55.7	28%	0.275	26%	0.264	S	S	.	.	H	α-helix		0	0	0	-83.5	-172.9	-172.2	149.4	0.6	110.9	L939 E940 S941 V946 R947 I970	L939-R943 VanDerWaalsContact O-CA 3.29Å; L939-R943 WeakPolarHBondContact O-CA 3.16Å; L939-R943 WeakPolarHBondContact O-CB 3.2Å; L939-R943 WeakPolarHBondContact O-CD 3.29Å; L939-R943 WeakPolarHBondContact O-CG 3.34Å; L939-R943 PolarHBondContact O-N 3.22Å; E940-R943 WeakPolarHBondContact O-CB 2.86Å; E940-R943 PolarHBondContact O-N 3.02Å; E940-R943 IonicContact OE2-NH1 3.93Å; S941-R943 VanDerWaalsContact C-N 3.32Å; R943-V946 PolarHBondContact O-N 3.23Å; R943-R947 WeakPolarHBondContact O-CB 3.48Å; R943-R947 PolarHBondContact O-N 3.3Å; R943-I970 HydrophobicContact CG-CD1 3.76Å
944	H	58.6	Low	58	Low	46 Å²	46	59.6 Å²	59.6	21%	0.213	29%	0.29	C	S	.	.	H	α-helix		0	-46.8	0	-167.2	72.7	0	0	0	110.3	E940 S941 V942 V946 R947 D948	E940-H944 WeakPolarHBondContact O-CA 3.27Å; E940-H944 WeakPolarHBondContact O-CB 3.2Å; E940-H944 PolarHBondContact O-N 2.82Å; S941-H944 CarbonylContact O-C 3.49Å; S941-H944 PolarHBondContact O-N 3.31Å; V942-H944 VanDerWaalsContact C-N 3.27Å; H944-V946 PolarHBondContact O-N 3.12Å; H944-R947 CarbonylContact O-C 3.28Å; H944-R947 WeakPolarHBondContact O-CB 3.18Å; H944-R947 PolarHBondContact O-N 3.12Å; H944-D948 IonicContact CD2-OD2 3.36Å; H944-D948 PolarHBondContact CD2-OD2 3.19Å; H944-D948 VanDerWaalsContact CD2-OD2 3.26Å; H944-D948 IonicContact NE2-OD1 3.31Å; H944-D948 IonicContact NE2-OD2 3.26Å; H944-D948 PolarHBondContact NE2-OD2 3.03Å; H944-D948 WeakPolarHBondContact O-CA 2.95Å; H944-D948 VanDerWaalsContact O-CB 3.25Å; H944-D948 WeakPolarHBondContact O-CB 3.28Å; H944-D948 PolarHBondContact O-N 3.38Å
945	S	58.1	Low	59	Low	31 Å²	31	62.5 Å²	62.5	22%	0.217	30%	0.304	C	S	.	.	H	α-helix	trans	-60.2	0	178.7	-70.7	0	0	0	0	110.6	S941 V942 R947 D948 Y949	S941-S945 WeakPolarHBondContact O-CA 3.48Å; S941-S945 WeakPolarHBondContact O-CB 3.16Å; S941-S945 PolarHBondContact O-N 3.49Å; S941-S945 PolarHBondContact O-OG 3.47Å; V942-S945 PolarHBondContact O-N 2.81Å; S945-R947 VanDerWaalsContact C-N 3.29Å; S945-D948 CarbonylContact O-C 3.32Å; S945-D948 PolarHBondContact O-N 3.28Å; S945-Y949 WeakPolarHBondContact O-CA 2.87Å; S945-Y949 WeakPolarHBondContact O-CB 3.29Å; S945-Y949 PolarHBondContact O-N 2.86Å
946	V	63.5	Low	60.3	Low	29 Å²	29	59.6 Å²	59.6	18%	0.176	28%	0.284	C	S	.	.	H	α-helix		0	-39.5	0	171.4	0	0	0	0	109	L872 L876 V942 R943 H944 Y949 V950 L960	L872-V946 HydrophobicContact CD1-CG2 4.07Å; L876-V946 HydrophobicContact CD2-CG2 3.92Å; V942-V946 HydrophobicContact CG1-CG2 3.8Å; V942-V946 WeakPolarHBondContact O-CA 3.34Å; V942-V946 WeakPolarHBondContact O-CB 3.26Å; V942-V946 WeakPolarHBondContact O-CG2 3.17Å; V942-V946 PolarHBondContact O-N 2.87Å; R943-V946 PolarHBondContact O-N 3.23Å; H944-V946 PolarHBondContact O-N 3.12Å; V946-Y949 PolarHBondContact O-N 3.41Å; V946-V950 HydrophobicContact CG1-CG2 3.91Å; V946-V950 WeakPolarHBondContact O-CA 3.34Å; V946-V950 WeakPolarHBondContact O-CB 3.36Å; V946-V950 WeakPolarHBondContact O-CG2 3.12Å; V946-V950 PolarHBondContact O-N 3.05Å; V946-L960 HydrophobicContact CG1-CD1 3.83Å
947	R	65.2	Low	61.3	Low	118 Å²	118	60 Å²	60	45%	0.445	29%	0.286	S	S	.	.	H	α-helix	trans	-64.6	0	177.7	-161	-178.3	-75.7	130.4	-0.5	111	R943 H944 S945 V950 R951	R943-R947 WeakPolarHBondContact O-CB 3.48Å; R943-R947 PolarHBondContact O-N 3.3Å; H944-R947 CarbonylContact O-C 3.28Å; H944-R947 WeakPolarHBondContact O-CB 3.18Å; H944-R947 PolarHBondContact O-N 3.12Å; S945-R947 VanDerWaalsContact C-N 3.29Å; R947-V950 PolarHBondContact O-N 3.43Å; R947-R951 WeakPolarHBondContact O-CB 3.08Å; R947-R951 VanDerWaalsContact O-CG 3.28Å; R947-R951 WeakPolarHBondContact O-CG 3.14Å; R947-R951 PolarHBondContact O-N 3.24Å
948	D	68.4	Low	62.1	Low	44 Å²	44	60 Å²	60	24%	0.235	29%	0.289	C	S	.	.	H	α-helix		0	-41.6	0	-84.6	-6.3	0	0	0	110.1	H944 S945 V950 R951 R952	H944-D948 IonicContact CD2-OD2 3.36Å; H944-D948 PolarHBondContact CD2-OD2 3.19Å; H944-D948 VanDerWaalsContact CD2-OD2 3.26Å; H944-D948 IonicContact NE2-OD1 3.31Å; H944-D948 IonicContact NE2-OD2 3.26Å; H944-D948 PolarHBondContact NE2-OD2 3.03Å; H944-D948 WeakPolarHBondContact O-CA 2.95Å; H944-D948 VanDerWaalsContact O-CB 3.25Å; H944-D948 WeakPolarHBondContact O-CB 3.28Å; H944-D948 PolarHBondContact O-N 3.38Å; S945-D948 CarbonylContact O-C 3.32Å; S945-D948 PolarHBondContact O-N 3.28Å; D948-V950 VanDerWaalsContact C-N 3.35Å; D948-R951 WeakPolarHBondContact O-CB 3.4Å; D948-R951 PolarHBondContact O-N 3.28Å; D948-R951 IonicContact OD1-CZ 3.12Å; D948-R951 IonicContact OD1-NE 2.97Å; D948-R951 IonicContact OD1-NH1 2.98Å; D948-R951 IonicContact OD1-NH2 2.99Å; D948-R952 WeakPolarHBondContact O-CG 2.95Å; D948-R952 PolarHBondContact O-N 3.47Å
949	Y	68	Low	62.9	Low	8 Å²	8	60 Å²	60	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-64.3	0	179	-172.4	-92.2	0	0	0	110	E868 H869 L872 S945 V946 R951 R952 H953 I956	E868-Y949 PolarHBondContact O-OH 3.24Å; H869-Y949 WeakPolarHBondContact CA-OH 3.21Å; H869-Y949 HydrophobicContact CB-CE1 4.17Å; H869-Y949 WeakPolarHBondContact CB-OH 3.22Å; H869-Y949 AromaticContact CE1-CE1 3.78Å; H869-Y949 AromaticContact CG-CE1 3.91Å; H869-Y949 AromaticContact CG-CZ 3.99Å; H869-Y949 AromaticContact ND1-CE1 2.94Å; H869-Y949 WeakPolarHBondContact ND1-CE1 3.37Å; H869-Y949 AromaticContact ND1-CZ 3.1Å; H869-Y949 PolarHBondContact ND1-OH 2.3Å; L872-Y949 HydrophobicContact CB-CD1 4.06Å; L872-Y949 HydrophobicContact CB-CD2 4.44Å; L872-Y949 HydrophobicContact CB-CE1 3.79Å; L872-Y949 HydrophobicContact CB-CE2 4.18Å; L872-Y949 HydrophobicContact CB-CG 4.38Å; L872-Y949 HydrophobicContact CD1-CD1 4.08Å; L872-Y949 HydrophobicContact CD1-CG 4.08Å; L872-Y949 HydrophobicContact CD2-CD1 3.62Å; L872-Y949 HydrophobicContact CD2-CE1 3.72Å; L872-Y949 HydrophobicContact CD2-CG 4.45Å; L872-Y949 HydrophobicContact CG-CD1 4.15Å; L872-Y949 HydrophobicContact CG-CE1 4.26Å; S945-Y949 WeakPolarHBondContact O-CA 2.87Å; S945-Y949 WeakPolarHBondContact O-CB 3.29Å; S945-Y949 PolarHBondContact O-N 2.86Å; V946-Y949 PolarHBondContact O-N 3.41Å; Y949-R951 PolarHBondContact O-N 3.21Å; Y949-R952 CarbonylContact O-C 2.6Å; Y949-R952 PolarHBondContact O-N 2.94Å; Y949-R952 VanDerWaalsContact O-N 3.07Å; Y949-H953 HydrophobicContact CD1-CB 4.37Å; Y949-H953 AromaticContact CD2-CD2 3.94Å; Y949-H953 HydrophobicContact CE1-CB 4.08Å; Y949-H953 AromaticContact CE2-CD2 3.66Å; Y949-H953 AromaticContact CZ-CD2 3.72Å; Y949-H953 WeakPolarHBondContact O-CA 3.3Å; Y949-H953 WeakPolarHBondContact O-CB 2.85Å; Y949-H953 PolarHBondContact O-N 3.03Å; Y949-I956 HydrophobicContact CD1-CD1 3.82Å; Y949-I956 HydrophobicContact CD1-CG2 4.11Å; Y949-I956 HydrophobicContact CE1-CB 4.31Å; Y949-I956 HydrophobicContact CE1-CD1 3.24Å; Y949-I956 HydrophobicContact CE1-CG1 4.39Å; Y949-I956 HydrophobicContact CE1-CG2 4.24Å
950	V	69.3	Low	63.5	Low	36 Å²	36	59.5 Å²	59.5	22%	0.218	29%	0.287	C	S	.	.	H	α-helix		0	0	0	170.2	0	0	0	0	109.2	V946 R947 D948 H953 P954 I956 V957 L960	V946-V950 HydrophobicContact CG1-CG2 3.91Å; V946-V950 WeakPolarHBondContact O-CA 3.34Å; V946-V950 WeakPolarHBondContact O-CB 3.36Å; V946-V950 WeakPolarHBondContact O-CG2 3.12Å; V946-V950 PolarHBondContact O-N 3.05Å; R947-V950 PolarHBondContact O-N 3.43Å; D948-V950 VanDerWaalsContact C-N 3.35Å; V950-H953 CarbonylContact O-C 3.2Å; V950-P954 VanDerWaalsContact O-CA 3.27Å; V950-P954 WeakPolarHBondContact O-CA 3.14Å; V950-I956 HydrophobicContact CB-CG2 4.45Å; V950-I956 HydrophobicContact CG2-CG2 3.99Å; V950-V957 HydrophobicContact CB-CG2 4.42Å; V950-V957 HydrophobicContact CG1-CB 4.39Å; V950-V957 HydrophobicContact CG1-CG2 3.05Å; V950-L960 HydrophobicContact CG2-CD1 3.16Å
951	R	71.4	Confident	64	Low	161 Å²	161	59.2 Å²	59.2	61%	0.608	29%	0.286	S	S	*	.	H	α-helix		0	0	0	-88.9	-169.8	-120.7	171.3	-0.1	110.6	R947 D948 Y949	R947-R951 WeakPolarHBondContact O-CB 3.08Å; R947-R951 VanDerWaalsContact O-CG 3.28Å; R947-R951 WeakPolarHBondContact O-CG 3.14Å; R947-R951 PolarHBondContact O-N 3.24Å; D948-R951 WeakPolarHBondContact O-CB 3.4Å; D948-R951 PolarHBondContact O-N 3.28Å; D948-R951 IonicContact OD1-CZ 3.12Å; D948-R951 IonicContact OD1-NE 2.97Å; D948-R951 IonicContact OD1-NH1 2.98Å; D948-R951 IonicContact OD1-NH2 2.99Å; Y949-R951 PolarHBondContact O-N 3.21Å
952	R	76.6	Confident	64.4	Low	166 Å²	166	60.6 Å²	60.6	63%	0.626	29%	0.294	S	S	*	.	H	α-helix		0	-22.9	0	-75.5	-172.4	-89.3	173.5	-0.3	110.3	D948 Y949 P954	D948-R952 WeakPolarHBondContact O-CG 2.95Å; D948-R952 PolarHBondContact O-N 3.47Å; Y949-R952 CarbonylContact O-C 2.6Å; Y949-R952 PolarHBondContact O-N 2.94Å; Y949-R952 VanDerWaalsContact O-N 3.07Å; R952-P954 WeakPolarHBondContact O-CD 3.21Å
953	H	76.5	Confident	63.9	Low	66 Å²	66	68.4 Å²	68.4	31%	0.306	32%	0.32	S	S	.	.			trans	-134.4	71.2	-177.6	-64.8	-78.6	0	0	0	108.9	Y949 V950 D955 I956	Y949-H953 HydrophobicContact CD1-CB 4.37Å; Y949-H953 AromaticContact CD2-CD2 3.94Å; Y949-H953 HydrophobicContact CE1-CB 4.08Å; Y949-H953 AromaticContact CE2-CD2 3.66Å; Y949-H953 AromaticContact CZ-CD2 3.72Å; Y949-H953 WeakPolarHBondContact O-CA 3.3Å; Y949-H953 WeakPolarHBondContact O-CB 2.85Å; Y949-H953 PolarHBondContact O-N 3.03Å; V950-H953 CarbonylContact O-C 3.2Å; H953-D955 WeakPolarHBondContact CA-OD1 3.4Å; H953-D955 WeakPolarHBondContact CB-OD1 3.33Å; H953-D955 PolarHBondContact O-N 2.92Å; H953-I956 WeakPolarHBondContact O-CG2 2.65Å; H953-I956 PolarHBondContact O-N 3.05Å
954	P	75.9	Confident	63.4	Low	87 Å²	87	70.4 Å²	70.4	57%	0.565	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-57.1	-19	-176.7	15.8	-21.5	0	0	0	111.7	V950 R952 I956 V957	V950-P954 VanDerWaalsContact O-CA 3.27Å; V950-P954 WeakPolarHBondContact O-CA 3.14Å; R952-P954 WeakPolarHBondContact O-CD 3.21Å; P954-I956 PolarHBondContact O-N 3.08Å; P954-V957 VanDerWaalsContact O-CB 3.25Å; P954-V957 WeakPolarHBondContact O-CB 1.26Å; P954-V957 WeakPolarHBondContact O-CG2 2.48Å; P954-V957 PolarHBondContact O-N 3.18Å; P954-V957 VanDerWaalsContact O-N 3.15Å
955	D	70.5	Confident	62.9	Low	79 Å²	79	69.5 Å²	69.5	42%	0.422	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-62.2	0	-179.9	52.6	-33.5	0	0	0	111.6	H869 H953 P958	H869-D955 IonicContact CE1-OD1 3.52Å; H869-D955 IonicContact CE1-OD2 3.85Å; H869-D955 PolarHBondContact CE1-OD2 3.34Å; H869-D955 IonicContact NE2-OD1 1.92Å; H869-D955 IonicContact NE2-OD2 3.72Å; H869-D955 PolarHBondContact NE2-OD2 3.21Å; H869-D955 VanDerWaalsContact NE2-OD2 3.14Å; H953-D955 WeakPolarHBondContact CA-OD1 3.4Å; H953-D955 WeakPolarHBondContact CB-OD1 3.33Å; H953-D955 PolarHBondContact O-N 2.92Å; D955-P958 VanDerWaalsContact O-CD 3.28Å; D955-P958 WeakPolarHBondContact O-CD 3.24Å
956	I	70.6	Confident	62.2	Low	0 Å²	0	73.7 Å²	73.7	0%	0	34%	0.344	C	S	.	.	G	3₁₀ helix		0	0	0	-168.1	160.6	0	0	0	109.6	W865 H869 L872 Y949 V950 H953 P954 P958 L959 L960	W865-I956 HydrophobicContact CE3-CD1 4.37Å; W865-I956 HydrophobicContact CZ3-CD1 3.69Å; H869-I956 HydrophobicContact CB-CD1 3.6Å; H869-I956 VanDerWaalsContact ND1-CD1 3.32Å; H869-I956 WeakPolarHBondContact ND1-CD1 3.43Å; L872-I956 HydrophobicContact CB-CD1 4.23Å; L872-I956 HydrophobicContact CD2-CD1 2.74Å; L872-I956 HydrophobicContact CD2-CG1 3.93Å; L872-I956 HydrophobicContact CG-CD1 4.07Å; Y949-I956 HydrophobicContact CD1-CD1 3.82Å; Y949-I956 HydrophobicContact CD1-CG2 4.11Å; Y949-I956 HydrophobicContact CE1-CB 4.31Å; Y949-I956 HydrophobicContact CE1-CD1 3.24Å; Y949-I956 HydrophobicContact CE1-CG1 4.39Å; Y949-I956 HydrophobicContact CE1-CG2 4.24Å; V950-I956 HydrophobicContact CB-CG2 4.45Å; V950-I956 HydrophobicContact CG2-CG2 3.99Å; H953-I956 WeakPolarHBondContact O-CG2 2.65Å; H953-I956 PolarHBondContact O-N 3.05Å; P954-I956 PolarHBondContact O-N 3.08Å; I956-P958 VanDerWaalsContact C-CD 3.47Å; I956-L959 HydrophobicContact CG1-CB 4.26Å; I956-L959 HydrophobicContact CG1-CD1 4.44Å; I956-L959 CarbonylContact O-C 2.75Å; I956-L959 WeakPolarHBondContact O-CA 3.44Å; I956-L959 WeakPolarHBondContact O-CB 3.27Å; I956-L959 PolarHBondContact O-N 3.16Å; I956-L960 HydrophobicContact CG1-CD1 4.28Å; I956-L960 HydrophobicContact CG1-CG 4.16Å; I956-L960 HydrophobicContact CG2-CD1 4.01Å; I956-L960 PolarHBondContact O-N 3.01Å
957	V	66	Low	61.2	Low	27 Å²	27	78.3 Å²	78.3	16%	0.164	36%	0.362	C	S	.	.	H	α-helix		0	-37.6	0	171.1	0	0	0	0	109.6	V950 P954 L959 L960 Q961	V950-V957 HydrophobicContact CB-CG2 4.42Å; V950-V957 HydrophobicContact CG1-CB 4.39Å; V950-V957 HydrophobicContact CG1-CG2 3.05Å; P954-V957 VanDerWaalsContact O-CB 3.25Å; P954-V957 WeakPolarHBondContact O-CB 1.26Å; P954-V957 WeakPolarHBondContact O-CG2 2.48Å; P954-V957 PolarHBondContact O-N 3.18Å; P954-V957 VanDerWaalsContact O-N 3.15Å; V957-L959 VanDerWaalsContact C-N 3.32Å; V957-L959 PolarHBondContact O-N 3.1Å; V957-L960 PolarHBondContact O-N 3.44Å; V957-Q961 HydrophobicContact CG1-CB 4.33Å; V957-Q961 HydrophobicContact CG1-CG 3.55Å; V957-Q961 WeakPolarHBondContact O-CA 2.94Å; V957-Q961 WeakPolarHBondContact O-CB 3.25Å; V957-Q961 WeakPolarHBondContact O-CG 3.28Å; V957-Q961 PolarHBondContact O-N 3.06Å
958	P	61.1	Low	60.4	Low	63 Å²	63	74.4 Å²	74.4	41%	0.409	35%	0.351	S	S	.	.	H	α-helix	trans	-69	0	178.1	-22.6	28.7	0	0	0	111.7	D955 I956 T962	D955-P958 VanDerWaalsContact O-CD 3.28Å; D955-P958 WeakPolarHBondContact O-CD 3.24Å; I956-P958 VanDerWaalsContact C-CD 3.47Å; P958-T962 WeakPolarHBondContact O-CG2 3.49Å; P958-T962 PolarHBondContact O-N 3.49Å
959	L	60.3	Low	59.5	Low	37 Å²	37	72.9 Å²	72.9	19%	0.194	34%	0.343	C	S	.	.	H	α-helix		0	0	0	-79	169.5	0	0	0	111.3	P866 I956 V957 T962 N965	P866-L959 HydrophobicContact CG-CD1 3.71Å; I956-L959 HydrophobicContact CG1-CB 4.26Å; I956-L959 HydrophobicContact CG1-CD1 4.44Å; I956-L959 CarbonylContact O-C 2.75Å; I956-L959 WeakPolarHBondContact O-CA 3.44Å; I956-L959 WeakPolarHBondContact O-CB 3.27Å; I956-L959 PolarHBondContact O-N 3.16Å; V957-L959 VanDerWaalsContact C-N 3.32Å; V957-L959 PolarHBondContact O-N 3.1Å; L959-T962 PolarHBondContact O-OG1 2.65Å; L959-N965 PolarHBondContact O-ND2 2.93Å
960	L	61.2	Low	58.7	Low	17 Å²	17	74.4 Å²	74.4	9%	0.089	35%	0.351	C	S	.	.	H	α-helix		0	0	0	-72.8	175.5	0	0	0	110.1	W865 L872 V946 V950 I956 V957 T962 N965 K966	W865-L960 HydrophobicContact CH2-CD2 4.36Å; L872-L960 HydrophobicContact CD2-CD1 4.22Å; L872-L960 HydrophobicContact CD2-CD2 4.44Å; V946-L960 HydrophobicContact CG1-CD1 3.83Å; V950-L960 HydrophobicContact CG2-CD1 3.16Å; I956-L960 HydrophobicContact CG1-CD1 4.28Å; I956-L960 HydrophobicContact CG1-CG 4.16Å; I956-L960 HydrophobicContact CG2-CD1 4.01Å; I956-L960 PolarHBondContact O-N 3.01Å; V957-L960 PolarHBondContact O-N 3.44Å; L960-T962 VanDerWaalsContact C-N 3.35Å; L960-N965 CarbonylContact O-C 3.48Å; L960-N965 VanDerWaalsContact O-CB 3.29Å; L960-N965 WeakPolarHBondContact O-CB 3.15Å; L960-K966 WeakPolarHBondContact O-CA 2.1Å; L960-K966 WeakPolarHBondContact O-CB 3.32Å; L960-K966 PolarHBondContact O-N 3.03Å
961	Q	54	Low	57.8	Low	110 Å²	110	76.1 Å²	76.1	51%	0.514	36%	0.357	S	S	.	.	S	Bend		0	0	0	-80.8	179	-13.6	0	0	109.9	V957 R963 K966	V957-Q961 HydrophobicContact CG1-CB 4.33Å; V957-Q961 HydrophobicContact CG1-CG 3.55Å; V957-Q961 WeakPolarHBondContact O-CA 2.94Å; V957-Q961 WeakPolarHBondContact O-CB 3.25Å; V957-Q961 WeakPolarHBondContact O-CG 3.28Å; V957-Q961 PolarHBondContact O-N 3.06Å; Q961-R963 PolarHBondContact O-N 2.89Å; Q961-K966 HydrophobicContact CG-CD 3.95Å
962	T	52.4	Low	56.8	Low	52 Å²	52	68.6 Å²	68.6	32%	0.319	33%	0.329	S	S	.	.	S	Bend		0	0	0	50.3	0	0	0	0	110.6	P958 L959 L960 H964 N965	P958-T962 WeakPolarHBondContact O-CG2 3.49Å; P958-T962 PolarHBondContact O-N 3.49Å; L959-T962 PolarHBondContact O-OG1 2.65Å; L960-T962 VanDerWaalsContact C-N 3.35Å; T962-H964 CarbonylContact O-C 3.46Å; T962-H964 WeakPolarHBondContact O-CA 3.38Å; T962-H964 PolarHBondContact O-N 2.93Å; T962-N965 PolarHBondContact O-N 3.08Å; T962-N965 PolarHBondContact OG1-ND2 2.94Å
963	R	39.2	Very low	55.7	Low	186 Å²	186	61.6 Å²	61.6	70%	0.702	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn		0	1.8	0	-117.3	-171.2	175.8	156.1	-0.7	111.6	Q961	Q961-R963 PolarHBondContact O-N 2.89Å
964	H	45.5	Very low	54.7	Low	115 Å²	115	61.3 Å²	61.3	53%	0.532	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.3	0	-172.3	-83	80.7	0	0	0	110.4	Y859 T962 V968	Y859-H964 HydrophobicContact CE2-CB 3.81Å; Y859-H964 VanDerWaalsContact OH-C 3.28Å; Y859-H964 PolarHBondContact OH-O 3.21Å; T962-H964 CarbonylContact O-C 3.46Å; T962-H964 WeakPolarHBondContact O-CA 3.38Å; T962-H964 PolarHBondContact O-N 2.93Å; H964-V968 HydrophobicContact CB-CG2 4.45Å; H964-V968 WeakPolarHBondContact O-CB 3.31Å; H964-V968 WeakPolarHBondContact O-CG1 3.21Å; H964-V968 WeakPolarHBondContact O-CG2 3.46Å
965	N	47	Very low	53.8	Low	28 Å²	28	60.1 Å²	60.1	15%	0.15	29%	0.289	C	S	.	.	H	α-helix		0	0	0	-82.3	-22.1	0	0	0	110.2	Y859 L860 L959 L960 T962	Y859-N965 WeakPolarHBondContact CE2-OD1 3.46Å; Y859-N965 PolarHBondContact OH-OD1 3.27Å; L860-N965 HydrophobicContact CD2-CB 4.2Å; L860-N965 WeakPolarHBondContact CD2-OD1 3.42Å; L959-N965 PolarHBondContact O-ND2 2.93Å; L960-N965 CarbonylContact O-C 3.48Å; L960-N965 VanDerWaalsContact O-CB 3.29Å; L960-N965 WeakPolarHBondContact O-CB 3.15Å; T962-N965 PolarHBondContact O-N 3.08Å; T962-N965 PolarHBondContact OG1-ND2 2.94Å
966	K	44.4	Very low	53.1	Low	118 Å²	118	57.4 Å²	57.4	51%	0.513	27%	0.274	S	S	.	.	H	α-helix		0	0	0	-157.3	177.8	178.9	179.1	0	110.3	L960 Q961	L960-K966 WeakPolarHBondContact O-CA 2.1Å; L960-K966 WeakPolarHBondContact O-CB 3.32Å; L960-K966 PolarHBondContact O-N 3.03Å; Q961-K966 HydrophobicContact CG-CD 3.95Å
967	F	42.1	Very low	52.4	Low	127 Å²	127	61.2 Å²	61.2	56%	0.557	29%	0.288	S	S	*	.	H	α-helix		0	0	0	-78.2	-78	0	0	0	109.6	L397 E971	L397-F967 HydrophobicContact CD2-CD1 3.97Å; L397-F967 HydrophobicContact CD2-CE1 3.96Å; F967-E971 WeakPolarHBondContact O-CB 3.49Å; F967-E971 PolarHBondContact O-N 3.4Å
968	V	47.8	Very low	52.1	Low	36 Å²	36	64.7 Å²	64.7	22%	0.218	31%	0.305	C	S	.	.	H	α-helix		0	-14.6	0	173.9	0	0	0	0	108.6	Y857 Y859 H964 G972	Y857-V968 HydrophobicContact CD1-CG1 3.92Å; Y857-V968 HydrophobicContact CE1-CG1 3.51Å; Y857-V968 WeakPolarHBondContact CE1-O 3.4Å; Y857-V968 PolarHBondContact OH-O 2.94Å; Y859-V968 HydrophobicContact CE1-CG1 4.34Å; Y859-V968 VanDerWaalsContact OH-CB 3.27Å; Y859-V968 WeakPolarHBondContact OH-CB 3.13Å; Y859-V968 WeakPolarHBondContact OH-CG1 3.37Å; H964-V968 HydrophobicContact CB-CG2 4.45Å; H964-V968 WeakPolarHBondContact O-CB 3.31Å; H964-V968 WeakPolarHBondContact O-CG1 3.21Å; H964-V968 WeakPolarHBondContact O-CG2 3.46Å; V968-G972 WeakPolarHBondContact O-CA 3.25Å; V968-G972 PolarHBondContact O-N 3.17Å
969	L	50.4	Low	51.9	Low	12 Å²	12	62.8 Å²	62.8	6%	0.063	29%	0.291	C	S	.	.	H	α-helix	trans	-98	0	-177.7	-84.9	163.1	0	0	0	110.5	Y857 L860 L876 L878 I881 L973	Y857-L969 HydrophobicContact CD1-CD2 4.11Å; L860-L969 HydrophobicContact CD1-CB 4.31Å; L860-L969 HydrophobicContact CD1-CD1 3.25Å; L860-L969 HydrophobicContact CD1-CD2 2.46Å; L860-L969 HydrophobicContact CD1-CG 2.82Å; L860-L969 HydrophobicContact CD2-CD1 3.74Å; L860-L969 HydrophobicContact CD2-CG 4.18Å; L860-L969 HydrophobicContact CG-CD1 4.1Å; L860-L969 HydrophobicContact CG-CD2 3.96Å; L860-L969 HydrophobicContact CG-CG 4.09Å; L876-L969 HydrophobicContact CD1-CD1 4.48Å; L878-L969 HydrophobicContact CD2-CD1 4.34Å; L878-L969 HydrophobicContact CD2-CD2 3.61Å; I881-L969 HydrophobicContact CD1-CD2 4.43Å; L969-L973 WeakPolarHBondContact O-CB 3.28Å; L969-L973 VanDerWaalsContact O-CD1 3.22Å; L969-L973 WeakPolarHBondContact O-CD1 3.39Å; L969-L973 WeakPolarHBondContact O-CG 3.45Å; L969-L973 PolarHBondContact O-N 3.27Å
970	I	50.4	Low	52	Low	40 Å²	40	62.6 Å²	62.6	21%	0.205	29%	0.288	C	S	.	.	H	α-helix		0	-37.9	0	-69.6	176	0	0	0	109.2	L939 R943 L973 K974	L939-I970 HydrophobicContact CD2-CB 4.37Å; L939-I970 HydrophobicContact CD2-CG1 4.33Å; L939-I970 HydrophobicContact CD2-CG2 3.6Å; R943-I970 HydrophobicContact CG-CD1 3.76Å; I970-L973 PolarHBondContact O-N 3.38Å; I970-K974 WeakPolarHBondContact O-CG 3.5Å; I970-K974 PolarHBondContact O-N 3.4Å
971	E	51	Low	52.1	Low	72 Å²	72	65.7 Å²	65.7	34%	0.336	30%	0.301	S	S	.	.	H	α-helix	trans	-73.3	0	175.3	-171.9	61.6	-154.5	0	0	110.9	F967 L973 K974 Q975	F967-E971 WeakPolarHBondContact O-CB 3.49Å; F967-E971 PolarHBondContact O-N 3.4Å; E971-L973 VanDerWaalsContact C-N 3.32Å; E971-K974 WeakPolarHBondContact O-CB 3.32Å; E971-K974 PolarHBondContact O-N 3.07Å; E971-Q975 WeakPolarHBondContact O-CG 3.41Å; E971-Q975 PolarHBondContact O-N 3.03Å
972	G	50.7	Low	52.8	Low	2 Å²	2	62.5 Å²	62.5	2%	0.021	29%	0.287	C	S	.	.	H	α-helix		0	-30.7	0	0	0	0	0	0	112.5	Y857 V968 M976	Y857-G972 WeakPolarHBondContact OH-CA 2.94Å; Y857-G972 PolarHBondContact OH-N 3.44Å; Y857-G972 PolarHBondContact OH-O 3.07Å; V968-G972 WeakPolarHBondContact O-CA 3.25Å; V968-G972 PolarHBondContact O-N 3.17Å; G972-M976 PolarHBondContact O-N 2.69Å; G972-M976 VanDerWaalsContact O-N 3.11Å
973	L	53.1	Low	54	Low	20 Å²	20	60.3 Å²	60.3	11%	0.105	27%	0.274	C	S	.	.	H	α-helix	trans	-82.9	0	-179.7	-72.7	174.6	0	0	0	110.5	L933 L969 I970 E971 M976 R977	L933-L973 HydrophobicContact CB-CD2 3.94Å; L933-L973 HydrophobicContact CD2-CD2 3.3Å; L933-L973 HydrophobicContact CG-CD2 4.19Å; L969-L973 WeakPolarHBondContact O-CB 3.28Å; L969-L973 VanDerWaalsContact O-CD1 3.22Å; L969-L973 WeakPolarHBondContact O-CD1 3.39Å; L969-L973 WeakPolarHBondContact O-CG 3.45Å; L969-L973 PolarHBondContact O-N 3.27Å; I970-L973 PolarHBondContact O-N 3.38Å; E971-L973 VanDerWaalsContact C-N 3.32Å; L973-M976 PolarHBondContact O-N 3.44Å; L973-R977 PolarHBondContact O-N 3.41Å
974	K	54.6	Low	55.9	Low	59 Å²	59	52.6 Å²	52.6	26%	0.257	25%	0.248	S	C	.	.	H	α-helix		0	-38.7	0	-84	-175.2	-178.4	-178.3	0	110.9	L939 I970 E971 M976 R977 I978	L939-K974 HydrophobicContact CD1-CG 4.1Å; I970-K974 WeakPolarHBondContact O-CG 3.5Å; I970-K974 PolarHBondContact O-N 3.4Å; E971-K974 WeakPolarHBondContact O-CB 3.32Å; E971-K974 PolarHBondContact O-N 3.07Å; K974-M976 VanDerWaalsContact C-N 3.31Å; K974-R977 WeakPolarHBondContact O-CB 2.21Å; K974-R977 PolarHBondContact O-N 3.29Å; K974-R977 VanDerWaalsContact O-N 3.14Å; K974-I978 PolarHBondContact O-N 3.14Å
975	Q	57	Low	57.5	Low	62 Å²	62	51.7 Å²	51.7	29%	0.29	25%	0.246	S	C	.	.	H	α-helix	trans	-73.7	0	-178.7	-75	-178.8	-2.8	0	0	110.5	H853 E971 R977 I978 L979	H853-Q975 PolarHBondContact CE1-OE1 2.82Å; H853-Q975 PolarHBondContact NE2-OE1 3.36Å; E971-Q975 WeakPolarHBondContact O-CG 3.41Å; E971-Q975 PolarHBondContact O-N 3.03Å; Q975-R977 PolarHBondContact O-N 3.06Å; Q975-I978 PolarHBondContact O-N 3.31Å; Q975-I978 VanDerWaalsContact O-N 3.13Å; Q975-L979 WeakPolarHBondContact O-CB 3.12Å; Q975-L979 WeakPolarHBondContact O-CD1 3.13Å; Q975-L979 VanDerWaalsContact O-CG 3.23Å; Q975-L979 WeakPolarHBondContact O-CG 3.14Å; Q975-L979 PolarHBondContact O-N 3.35Å
976	M	55.6	Low	59.1	Low	23 Å²	23	51 Å²	51	11%	0.113	24%	0.243	C	C	.	.	H	α-helix		0	-26	0	-100.7	-153.6	-154.1	0	0	110.8	L854 L884 L933 G972 L973 K974 I978 L979 Y980	L854-M976 HydrophobicContact CB-CE 4.23Å; L854-M976 HydrophobicContact CD1-CE 3.87Å; L854-M976 CovalentContact CD2-CE 1.71Å; L854-M976 HydrophobicContact CD2-CE 1.71Å; L854-M976 HydrophobicContact CD2-CG 3.87Å; L854-M976 HydrophobicContact CD2-SD 3.26Å; L854-M976 WeakPolarHBondContact CD2-SD 3.29Å; L854-M976 HydrophobicContact CG-CE 3.17Å; L854-M976 HydrophobicContact CG-SD 4.44Å; L884-M976 HydrophobicContact CD1-CE 4.47Å; L884-M976 HydrophobicContact CD1-SD 4.21Å; L933-M976 HydrophobicContact CD1-CE 4.24Å; L933-M976 HydrophobicContact CD1-SD 3.74Å; G972-M976 PolarHBondContact O-N 2.69Å; G972-M976 VanDerWaalsContact O-N 3.11Å; L973-M976 PolarHBondContact O-N 3.44Å; K974-M976 VanDerWaalsContact C-N 3.31Å; M976-I978 VanDerWaalsContact C-N 3.31Å; M976-L979 PolarHBondContact O-N 2.78Å; M976-Y980 WeakPolarHBondContact O-CB 3.3Å; M976-Y980 PolarHBondContact O-N 3.49Å
977	R	56.9	Low	61.1	Low	79 Å²	79	45.4 Å²	45.4	30%	0.298	22%	0.218	S	C	.	.	H	α-helix	trans	-71.3	-34	176.4	-166.8	178.5	-179.6	-179.6	-0.7	110.9	N937 L973 K974 Q975 L979 F981 V1213	N937-R977 PolarHBondContact OD1-NH1 3.34Å; L973-R977 PolarHBondContact O-N 3.41Å; K974-R977 WeakPolarHBondContact O-CB 2.21Å; K974-R977 PolarHBondContact O-N 3.29Å; K974-R977 VanDerWaalsContact O-N 3.14Å; Q975-R977 PolarHBondContact O-N 3.06Å; R977-L979 PolarHBondContact O-N 3.13Å; R977-F981 HydrophobicContact CG-CD2 3.77Å; R977-F981 HydrophobicContact CG-CE2 3.57Å; R977-F981 WeakPolarHBondContact O-CB 3.17Å; R977-F981 WeakPolarHBondContact O-CD2 3.15Å; R977-F981 PolarHBondContact O-N 3.28Å; R977-V1213 PolarHBondContact NH2-O 3.18Å
978	I	58.5	Low	63.2	Low	100 Å²	100	41.4 Å²	41.4	51%	0.513	20%	0.202	S	C	.	.	H	α-helix	trans	-78.9	-24.7	-177.9	-67	172.6	0	0	0	109.3	K974 Q975 M976 N982	K974-I978 PolarHBondContact O-N 3.14Å; Q975-I978 PolarHBondContact O-N 3.31Å; Q975-I978 VanDerWaalsContact O-N 3.13Å; M976-I978 VanDerWaalsContact C-N 3.31Å; I978-N982 WeakPolarHBondContact CG2-ND2 3.33Å; I978-N982 WeakPolarHBondContact O-CB 3.44Å; I978-N982 PolarHBondContact O-N 3.26Å; I978-N982 PolarHBondContact O-ND2 2.97Å
979	L	57.5	Low	65.1	Low	23 Å²	23	43.1 Å²	43.1	12%	0.12	21%	0.211	C	C	.	.	H	α-helix	trans	-91.1	0	-172.5	-76.8	164.3	0	0	0	110.2	Y849 Q975 M976 R977 N982 L983	Y849-L979 HydrophobicContact CD1-CD1 4.21Å; Y849-L979 HydrophobicContact CD1-CD2 3.86Å; Y849-L979 HydrophobicContact CE1-CD1 3.81Å; Y849-L979 HydrophobicContact CE1-CD2 3.84Å; Y849-L979 HydrophobicContact CE1-CG 4.42Å; Q975-L979 WeakPolarHBondContact O-CB 3.12Å; Q975-L979 WeakPolarHBondContact O-CD1 3.13Å; Q975-L979 VanDerWaalsContact O-CG 3.23Å; Q975-L979 WeakPolarHBondContact O-CG 3.14Å; Q975-L979 PolarHBondContact O-N 3.35Å; M976-L979 PolarHBondContact O-N 2.78Å; R977-L979 PolarHBondContact O-N 3.13Å; L979-N982 PolarHBondContact O-N 2.71Å; L979-L983 WeakPolarHBondContact O-CD1 3.25Å
980	Y	63.2	Low	66.8	Low	33 Å²	33	42.6 Å²	42.6	13%	0.129	21%	0.208	C	C	.	.	H	α-helix		0	0	0	174.1	-99.3	0	0	0	110.8	W926 C930 M976 N982 P984 L1018	W926-Y980 HydrophobicContact CD2-CE2 4.47Å; W926-Y980 AromaticContact CE2-CD2 3.67Å; W926-Y980 AromaticContact CE2-CE2 3.8Å; W926-Y980 AromaticContact CZ2-CD2 3.81Å; W926-Y980 HydrophobicContact CZ2-CD2 3.81Å; W926-Y980 HydrophobicContact CZ2-CE2 4.18Å; W926-Y980 AromaticContact NE1-CD2 3.21Å; W926-Y980 AromaticContact NE1-CE2 3.48Å; C930-Y980 HydrophobicContact CB-CD2 4.18Å; C930-Y980 HydrophobicContact CB-CE2 4.36Å; M976-Y980 WeakPolarHBondContact O-CB 3.3Å; M976-Y980 PolarHBondContact O-N 3.49Å; Y980-N982 VanDerWaalsContact C-N 3.33Å; Y980-N982 PolarHBondContact O-N 3.47Å; Y980-P984 VanDerWaalsContact O-CD 3.29Å; Y980-P984 WeakPolarHBondContact O-CD 3.34Å; Y980-L1018 HydrophobicContact CD2-CD1 4.47Å; Y980-L1018 HydrophobicContact CE1-CB 4.32Å; Y980-L1018 HydrophobicContact CE2-CB 4.32Å; Y980-L1018 HydrophobicContact CE2-CD1 3.26Å; Y980-L1018 HydrophobicContact CE2-CG 4.28Å; Y980-L1018 VanDerWaalsContact CZ-CB 3.49Å; Y980-L1018 WeakPolarHBondContact OH-CB 3.44Å; Y980-L1018 WeakPolarHBondContact OH-CD1 2.91Å; Y980-L1018 WeakPolarHBondContact OH-CD2 3.29Å; Y980-L1018 WeakPolarHBondContact OH-CG 3.09Å
981	F	62.5	Low	68.6	Low	83 Å²	83	40.7 Å²	40.7	36%	0.364	20%	0.198	S	C	.	.	H	α-helix		0	0	0	-86.8	-75.1	0	0	0	110.1	R977	R977-F981 HydrophobicContact CG-CD2 3.77Å; R977-F981 HydrophobicContact CG-CE2 3.57Å; R977-F981 WeakPolarHBondContact O-CB 3.17Å; R977-F981 WeakPolarHBondContact O-CD2 3.15Å; R977-F981 PolarHBondContact O-N 3.28Å
982	N	69.2	Low	70.4	Confident	43 Å²	43	41.8 Å²	41.8	23%	0.23	20%	0.202	C	C	.	.	H	α-helix		0	0	0	-77.8	-33.4	0	0	0	110.6	I978 L979 Y980 L985 I986	I978-N982 WeakPolarHBondContact CG2-ND2 3.33Å; I978-N982 WeakPolarHBondContact O-CB 3.44Å; I978-N982 PolarHBondContact O-N 3.26Å; I978-N982 PolarHBondContact O-ND2 2.97Å; L979-N982 PolarHBondContact O-N 2.71Å; Y980-N982 VanDerWaalsContact C-N 3.33Å; Y980-N982 PolarHBondContact O-N 3.47Å; N982-L985 WeakPolarHBondContact O-CB 2.96Å; N982-L985 PolarHBondContact O-N 2.89Å; N982-L985 VanDerWaalsContact O-N 3.07Å; N982-I986 WeakPolarHBondContact O-CG1 3.38Å; N982-I986 PolarHBondContact O-N 2.51Å
983	L	77.6	Confident	72.1	Confident	6 Å²	6	43.6 Å²	43.6	3%	0.031	21%	0.211	C	C	.	.	H	α-helix		0	0	0	-93.9	104.6	0	0	0	110.9	F843 T847 M850 W926 L979 L985 I986 A987 L1015	F843-L983 HydrophobicContact CE2-CD2 3.99Å; F843-L983 HydrophobicContact CZ-CD2 4.15Å; T847-L983 HydrophobicContact CG2-CD2 4.45Å; M850-L983 HydrophobicContact CE-CD1 4.33Å; M850-L983 HydrophobicContact SD-CD1 3.52Å; M850-L983 VanDerWaalsContact SD-CD1 3.52Å; W926-L983 HydrophobicContact CH2-CD1 4.27Å; W926-L983 HydrophobicContact CH2-CD2 3.62Å; W926-L983 HydrophobicContact CH2-CG 4.4Å; W926-L983 HydrophobicContact CZ2-CD1 4.19Å; W926-L983 HydrophobicContact CZ2-CD2 4.36Å; L979-L983 WeakPolarHBondContact O-CD1 3.25Å; L983-L985 PolarHBondContact O-N 3.28Å; L983-I986 PolarHBondContact O-N 3.32Å; L983-A987 WeakPolarHBondContact O-CB 3.1Å; L983-A987 PolarHBondContact O-N 3.08Å; L983-L1015 HydrophobicContact CB-CD1 4.19Å
984	P	78.8	Confident	73.7	Confident	24 Å²	24	42.7 Å²	42.7	16%	0.156	21%	0.206	C	C	.	.	H	α-helix		0	-34.8	0	-26.5	32.8	0	0	0	111.8	Y980 I986 A987 N988 Q1012 L1015	Y980-P984 VanDerWaalsContact O-CD 3.29Å; Y980-P984 WeakPolarHBondContact O-CD 3.34Å; P984-I986 VanDerWaalsContact C-N 3.3Å; P984-A987 PolarHBondContact O-N 3.48Å; P984-N988 WeakPolarHBondContact O-CB 3.14Å; P984-N988 PolarHBondContact O-N 3.37Å; P984-Q1012 WeakPolarHBondContact O-CG 3.29Å; P984-L1015 HydrophobicContact CB-CB 4.33Å; P984-L1015 HydrophobicContact CG-CB 3.87Å
985	L	78.5	Confident	75.2	Confident	96 Å²	96	44.9 Å²	44.9	50%	0.503	22%	0.217	S	C	.	.	H	α-helix	trans	-68.2	-37.5	178.8	-70.3	174.8	0	0	0	110.7	N982 L983 N988 N989	N982-L985 WeakPolarHBondContact O-CB 2.96Å; N982-L985 PolarHBondContact O-N 2.89Å; N982-L985 VanDerWaalsContact O-N 3.07Å; L983-L985 PolarHBondContact O-N 3.28Å; L985-N988 WeakPolarHBondContact O-CB 3.48Å; L985-N988 PolarHBondContact O-N 3.4Å; L985-N989 PolarHBondContact O-N 3.45Å; L985-N989 PolarHBondContact O-ND2 2.92Å
986	I	81.1	Confident	76.5	Confident	14 Å²	14	48.9 Å²	48.9	7%	0.072	23%	0.234	C	C	.	.	H	α-helix	trans	-68.8	-44	-179.6	-67.5	172.3	0	0	0	109.2	F843 K846 N982 L983 P984 N988 N989 I990	F843-I986 HydrophobicContact CD2-CG2 4.27Å; K846-I986 HydrophobicContact CB-CD1 4.13Å; K846-I986 HydrophobicContact CD-CD1 4.18Å; K846-I986 HydrophobicContact CG-CD1 3.62Å; N982-I986 WeakPolarHBondContact O-CG1 3.38Å; N982-I986 PolarHBondContact O-N 2.51Å; L983-I986 PolarHBondContact O-N 3.32Å; P984-I986 VanDerWaalsContact C-N 3.3Å; I986-N988 PolarHBondContact O-N 3.32Å; I986-N989 PolarHBondContact O-N 3.05Å; I986-N989 VanDerWaalsContact O-N 3.14Å; I986-I990 HydrophobicContact CG2-CD1 3.95Å; I986-I990 HydrophobicContact CG2-CG1 4.32Å; I986-I990 WeakPolarHBondContact O-CG1 3.02Å; I986-I990 PolarHBondContact O-N 2.9Å
987	A	85.7	Confident	77.6	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59.5	0	177.7	0	0	0	0	0	111.5	L983 P984 I990 A991 W1008 I1011 Q1012	L983-A987 WeakPolarHBondContact O-CB 3.1Å; L983-A987 PolarHBondContact O-N 3.08Å; P984-A987 PolarHBondContact O-N 3.48Å; A987-I990 PolarHBondContact O-N 3.08Å; A987-A991 PolarHBondContact O-N 2.94Å; A987-W1008 HydrophobicContact CB-CE3 3.93Å; A987-W1008 HydrophobicContact CB-CZ3 4.27Å; A987-I1011 HydrophobicContact CB-CG2 4.45Å; A987-Q1012 HydrophobicContact CB-CB 4.02Å
988	N	87.3	Confident	78.7	Confident	42 Å²	42	50 Å²	50	23%	0.225	24%	0.237	C	C	.	.	H	α-helix		0	-39.2	0	-170.9	31.1	0	0	0	111	P984 L985 I986 I990 A991 K992 Q1012	P984-N988 WeakPolarHBondContact O-CB 3.14Å; P984-N988 PolarHBondContact O-N 3.37Å; L985-N988 WeakPolarHBondContact O-CB 3.48Å; L985-N988 PolarHBondContact O-N 3.4Å; I986-N988 PolarHBondContact O-N 3.32Å; N988-I990 VanDerWaalsContact C-N 3.32Å; N988-I990 PolarHBondContact O-N 2.75Å; N988-A991 WeakPolarHBondContact O-CB 3.43Å; N988-A991 PolarHBondContact O-N 3.44Å; N988-K992 WeakPolarHBondContact O-CG 3.43Å; N988-K992 PolarHBondContact O-N 3.46Å; N988-Q1012 HydrophobicContact CB-CG 4.05Å
989	N	86.9	Confident	79.7	Confident	73 Å²	73	53.5 Å²	53.5	39%	0.39	25%	0.249	S	C	.	.	H	α-helix	trans	-68.1	-36.4	-179.9	-74.3	-22.1	0	0	0	110.9	L985 I986 A991 K992 D993	L985-N989 PolarHBondContact O-N 3.45Å; L985-N989 PolarHBondContact O-ND2 2.92Å; I986-N989 PolarHBondContact O-N 3.05Å; I986-N989 VanDerWaalsContact O-N 3.14Å; N989-A991 VanDerWaalsContact C-N 3.28Å; N989-K992 PolarHBondContact O-N 2.28Å; N989-D993 VanDerWaalsContact O-CB 3.32Å; N989-D993 WeakPolarHBondContact O-CB 3.06Å; N989-D993 PolarHBondContact O-N 3.05Å
990	I	87.5	Confident	80.8	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.1	0	178	-69.3	174.7	0	0	0	109.8	V839 L840 F843 I986 A987 N988 K992 D993 L994 W1008	V839-I990 HydrophobicContact CG1-CB 3.65Å; V839-I990 HydrophobicContact CG1-CD1 4.44Å; V839-I990 HydrophobicContact CG1-CG1 3.4Å; V839-I990 HydrophobicContact CG1-CG2 3.47Å; V839-I990 VanDerWaalsContact CG1-CG2 3.47Å; L840-I990 HydrophobicContact CD2-CG2 4.12Å; F843-I990 HydrophobicContact CB-CD1 3.55Å; F843-I990 HydrophobicContact CD2-CD1 4.26Å; F843-I990 HydrophobicContact CG-CD1 4.27Å; I986-I990 HydrophobicContact CG2-CD1 3.95Å; I986-I990 HydrophobicContact CG2-CG1 4.32Å; I986-I990 WeakPolarHBondContact O-CG1 3.02Å; I986-I990 PolarHBondContact O-N 2.9Å; A987-I990 PolarHBondContact O-N 3.08Å; N988-I990 VanDerWaalsContact C-N 3.32Å; N988-I990 PolarHBondContact O-N 2.75Å; I990-K992 VanDerWaalsContact C-N 3.29Å; I990-K992 PolarHBondContact O-N 3.45Å; I990-D993 PolarHBondContact O-N 2.93Å; I990-L994 HydrophobicContact CG2-CD1 3.8Å; I990-L994 HydrophobicContact CG2-CG 4.23Å; I990-L994 WeakPolarHBondContact O-CB 3.45Å; I990-L994 WeakPolarHBondContact O-CG 3.48Å; I990-L994 PolarHBondContact O-N 2.86Å; I990-W1008 HydrophobicContact CB-CD2 4.38Å; I990-W1008 HydrophobicContact CD1-CE3 4.31Å; I990-W1008 HydrophobicContact CD1-CH2 3.9Å; I990-W1008 HydrophobicContact CD1-CZ2 4.2Å; I990-W1008 HydrophobicContact CD1-CZ3 3.95Å; I990-W1008 HydrophobicContact CG2-CD2 3.85Å; I990-W1008 HydrophobicContact CG2-CE3 4.47Å; I990-W1008 HydrophobicContact CG2-CG 3.91Å; I990-W1008 HydrophobicContact CG2-CZ2 4.39Å
991	A	88.3	Confident	81.8	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.008	27%	0.266	C	S	.	.	H	α-helix		0	0	0	0	0	0	0	0	111	A987 N988 N989 E995 W1008 Q1009	A987-A991 PolarHBondContact O-N 2.94Å; N988-A991 WeakPolarHBondContact O-CB 3.43Å; N988-A991 PolarHBondContact O-N 3.44Å; N989-A991 VanDerWaalsContact C-N 3.28Å; A991-E995 WeakPolarHBondContact O-CB 3.28Å; A991-E995 PolarHBondContact O-N 3.16Å; A991-W1008 HydrophobicContact CB-CB 4.08Å; A991-Q1009 HydrophobicContact CB-CG 3.77Å
992	K	88	Confident	82.9	Confident	94 Å²	94	58.9 Å²	58.9	41%	0.409	27%	0.274	S	S	.	.	H	α-helix		0	-35.5	0	-75.7	-175.3	-179.2	176.8	0	110.4	N988 N989 I990 E995 K996	N988-K992 WeakPolarHBondContact O-CG 3.43Å; N988-K992 PolarHBondContact O-N 3.46Å; N989-K992 PolarHBondContact O-N 2.28Å; I990-K992 VanDerWaalsContact C-N 3.29Å; I990-K992 PolarHBondContact O-N 3.45Å; K992-E995 PolarHBondContact O-N 3.31Å; K992-K996 VanDerWaalsContact O-CB 3.23Å; K992-K996 WeakPolarHBondContact O-CB 3.36Å; K992-K996 VanDerWaalsContact O-CG 3.27Å; K992-K996 WeakPolarHBondContact O-CG 3.35Å; K992-K996 PolarHBondContact O-N 3.32Å
993	D	85.9	Confident	83.8	Confident	41 Å²	41	60.2 Å²	60.2	22%	0.219	29%	0.29	C	S	.	.	H	α-helix	trans	-74.1	-35.3	-177.1	-78.5	-11.7	0	0	0	110.4	V839 N989 I990 E995 K996 R997	V839-D993 HydrophobicContact CG1-CB 4.16Å; V839-D993 HydrophobicContact CG2-CB 3.94Å; N989-D993 VanDerWaalsContact O-CB 3.32Å; N989-D993 WeakPolarHBondContact O-CB 3.06Å; N989-D993 PolarHBondContact O-N 3.05Å; I990-D993 PolarHBondContact O-N 2.93Å; D993-E995 VanDerWaalsContact C-N 3.29Å; D993-K996 PolarHBondContact O-N 3.03Å; D993-R997 WeakPolarHBondContact O-CA 3.36Å; D993-R997 WeakPolarHBondContact O-CB 3.3Å; D993-R997 WeakPolarHBondContact O-CG 3.27Å; D993-R997 PolarHBondContact O-N 2.79Å
994	L	87.2	Confident	84.4	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-71.1	0	178.2	-76.7	174.2	0	0	0	111	R836 I990 T998 E1004 A1005	R836-L994 HydrophobicContact CB-CD2 4.13Å; R836-L994 HydrophobicContact CG-CD2 3.99Å; I990-L994 HydrophobicContact CG2-CD1 3.8Å; I990-L994 HydrophobicContact CG2-CG 4.23Å; I990-L994 WeakPolarHBondContact O-CB 3.45Å; I990-L994 WeakPolarHBondContact O-CG 3.48Å; I990-L994 PolarHBondContact O-N 2.86Å; L994-T998 WeakPolarHBondContact CA-OG1 2.85Å; L994-T998 HydrophobicContact CD2-CG2 4.5Å; L994-T998 CarbonylContact O-C 2.51Å; L994-T998 WeakPolarHBondContact O-CB 2.7Å; L994-T998 PolarHBondContact O-N 2.87Å; L994-T998 VanDerWaalsContact O-N 3.08Å; L994-T998 PolarHBondContact O-OG1 2.99Å; L994-E1004 HydrophobicContact CD1-CB 4.43Å; L994-E1004 HydrophobicContact CD1-CG 4.24Å; L994-A1005 HydrophobicContact CB-CB 3.9Å
995	E	85.8	Confident	84.9	Confident	105 Å²	105	59.5 Å²	59.5	49%	0.491	29%	0.285	S	S	.	.	H	α-helix		0	0	0	-165.7	172.3	-177.5	0	0	110.8	A991 K992 D993 A1005	A991-E995 WeakPolarHBondContact O-CB 3.28Å; A991-E995 PolarHBondContact O-N 3.16Å; K992-E995 PolarHBondContact O-N 3.31Å; D993-E995 VanDerWaalsContact C-N 3.29Å; E995-A1005 HydrophobicContact CB-CB 4.46Å
996	K	83.5	Confident	85.4	Confident	146 Å²	146	61.8 Å²	61.8	64%	0.635	29%	0.291	S	S	*	.	H	α-helix		0	0	0	-78.1	-175.2	-174.5	-179.5	0	110	K992 D993	K992-K996 VanDerWaalsContact O-CB 3.23Å; K992-K996 WeakPolarHBondContact O-CB 3.36Å; K992-K996 VanDerWaalsContact O-CG 3.27Å; K992-K996 WeakPolarHBondContact O-CG 3.35Å; K992-K996 PolarHBondContact O-N 3.32Å; D993-K996 PolarHBondContact O-N 3.03Å
997	R	80.4	Confident	85.9	Confident	123 Å²	123	62.4 Å²	62.4	46%	0.464	29%	0.294	S	S	.	.	H	α-helix		0	0	0	-69.5	-171.1	-174.7	-162.1	-1.2	109.7	I835 D993	I835-R997 HydrophobicContact CD1-CB 4.36Å; I835-R997 HydrophobicContact CG2-CB 3.93Å; D993-R997 WeakPolarHBondContact O-CA 3.36Å; D993-R997 WeakPolarHBondContact O-CB 3.3Å; D993-R997 WeakPolarHBondContact O-CG 3.27Å; D993-R997 PolarHBondContact O-N 2.79Å
998	T	78.8	Confident	86.2	Confident	3 Å²	3	62.4 Å²	62.4	2%	0.018	29%	0.294	C	S	.	.				0	132	0	57.6	0	0	0	0	109.5	E832 I835 L994 Y1001	E832-T998 HydrophobicContact CB-CG2 4.07Å; E832-T998 HydrophobicContact CG-CG2 4.37Å; I835-T998 HydrophobicContact CB-CG2 4.28Å; I835-T998 HydrophobicContact CG2-CG2 4.23Å; L994-T998 WeakPolarHBondContact CA-OG1 2.85Å; L994-T998 HydrophobicContact CD2-CG2 4.5Å; L994-T998 CarbonylContact O-C 2.51Å; L994-T998 WeakPolarHBondContact O-CB 2.7Å; L994-T998 PolarHBondContact O-N 2.87Å; L994-T998 VanDerWaalsContact O-N 3.08Å; L994-T998 PolarHBondContact O-OG1 2.99Å; T998-Y1001 HydrophobicContact CG2-CD2 3.95Å; T998-Y1001 WeakPolarHBondContact OG1-CB 3.21Å
999	K	79.6	Confident	86.3	Confident	174 Å²	174	64 Å²	64	76%	0.757	30%	0.3	S	S	*	.	S	Bend	trans	-85.4	-23	177.9	-70.2	-177.2	-176.1	177.9	0	110.4	E832	E832-K999 PolarHBondContact OE1-N 3.49Å
1000	M	80.7	Confident	86.4	Confident	101 Å²	101	65.3 Å²	65.3	50%	0.498	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	0	-171.2	-75.3	-170.9	62.4	0	0	110.1	Q829 E832	Q829-M1000 HydrophobicContact CG-SD 3.75Å; E832-M1000 WeakPolarHBondContact OE2-CB 3.39Å; E832-M1000 WeakPolarHBondContact OE2-CG 3.46Å; E832-M1000 PolarHBondContact OE2-N 3.2Å
1001	Y	84.8	Confident	86.5	Confident	30 Å²	30	65.3 Å²	65.3	12%	0.118	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn		0	30.2	0	-65.3	-73.7	0	0	0	109.7	E832 E833 R836 T998 A1003 E1004 A1005	E832-Y1001 HydrophobicContact CB-CE2 4.17Å; E833-Y1001 WeakPolarHBondContact CG-OH 3.22Å; R836-Y1001 HydrophobicContact CB-CD2 3.96Å; R836-Y1001 HydrophobicContact CB-CE2 3.77Å; R836-Y1001 HydrophobicContact CB-CG 4.49Å; R836-Y1001 VanDerWaalsContact CD-CE2 3.45Å; R836-Y1001 HydrophobicContact CG-CD1 4.25Å; R836-Y1001 HydrophobicContact CG-CD2 4.22Å; R836-Y1001 HydrophobicContact CG-CE1 4.22Å; R836-Y1001 HydrophobicContact CG-CE2 4.2Å; R836-Y1001 HydrophobicContact CG-CG 4.26Å; R836-Y1001 VanDerWaalsContact NE-CE1 3.3Å; T998-Y1001 HydrophobicContact CG2-CD2 3.95Å; T998-Y1001 WeakPolarHBondContact OG1-CB 3.21Å; Y1001-A1003 PolarHBondContact O-N 2.77Å; Y1001-E1004 WeakPolarHBondContact CD1-OE2 3.3Å; Y1001-E1004 PolarHBondContact O-N 3.08Å; Y1001-A1005 PolarHBondContact O-N 3Å
1002	K	85.9	Confident	86.4	Confident	121 Å²	121	67.4 Å²	67.4	53%	0.526	31%	0.314	S	S	.	.	H	α-helix	trans	-62.3	0	177.4	-77.5	-172.5	-178.4	177.3	0	110.5	E1004 A1005 K1006	K1002-E1004 VanDerWaalsContact C-N 3.29Å; K1002-A1005 VanDerWaalsContact O-CB 3.31Å; K1002-A1005 WeakPolarHBondContact O-CB 3.25Å; K1002-A1005 PolarHBondContact O-N 2.81Å; K1002-K1006 WeakPolarHBondContact O-CG 3.4Å; K1002-K1006 PolarHBondContact O-N 3.16Å
1003	A	87.3	Confident	86.2	Confident	70 Å²	70	68.2 Å²	68.2	58%	0.579	32%	0.322	S	S	*	.	H	α-helix		0	-40.2	0	0	0	0	0	0	110.6	Y1001 A1005 K1006 I1007	Y1001-A1003 PolarHBondContact O-N 2.77Å; A1003-A1005 VanDerWaalsContact C-N 3.34Å; A1003-K1006 WeakPolarHBondContact O-CB 2.01Å; A1003-K1006 PolarHBondContact O-N 2.66Å; A1003-I1007 WeakPolarHBondContact O-CG1 2.58Å; A1003-I1007 PolarHBondContact O-N 3.04Å
1004	E	90.4	Very high	86.1	Confident	13 Å²	13	70.6 Å²	70.6	6%	0.061	33%	0.33	C	S	.	.	H	α-helix	trans	-67.8	-34	178	-167	170.4	-174.8	0	0	111.3	R836 A908 L994 Y1001 K1002 K1006 I1007 W1008	R836-E1004 WeakPolarHBondContact CD-OE2 3.45Å; R836-E1004 IonicContact CZ-OE1 3.57Å; R836-E1004 IonicContact CZ-OE2 3.93Å; R836-E1004 VanDerWaalsContact NE-CD 3.33Å; R836-E1004 IonicContact NE-OE1 2.5Å; R836-E1004 PolarHBondContact NE-OE1 3.4Å; R836-E1004 IonicContact NE-OE2 3.23Å; R836-E1004 PolarHBondContact NE-OE2 2.7Å; R836-E1004 IonicContact NH2-OE1 3.43Å; R836-E1004 PolarHBondContact NH2-OE1 3.26Å; R836-E1004 IonicContact NH2-OE2 3.4Å; R836-E1004 PolarHBondContact NH2-OE2 2.92Å; A908-E1004 HydrophobicContact CB-CG 3.61Å; L994-E1004 HydrophobicContact CD1-CB 4.43Å; L994-E1004 HydrophobicContact CD1-CG 4.24Å; Y1001-E1004 WeakPolarHBondContact CD1-OE2 3.3Å; Y1001-E1004 PolarHBondContact O-N 3.08Å; K1002-E1004 VanDerWaalsContact C-N 3.29Å; E1004-K1006 PolarHBondContact O-N 2.92Å; E1004-I1007 WeakPolarHBondContact O-CB 3.47Å; E1004-I1007 PolarHBondContact O-N 3.01Å; E1004-I1007 VanDerWaalsContact O-N 3.08Å; E1004-W1008 VanDerWaalsContact O-CD1 3.3Å; E1004-W1008 PolarHBondContact O-N 3.45Å
1005	A	88.9	Confident	85.7	Confident	3 Å²	3	70.8 Å²	70.8	3%	0.025	33%	0.332	C	S	.	.	H	α-helix	trans	-61.5	0	176.2	0	0	0	0	0	111.2	L994 E995 Y1001 K1002 A1003 I1007 W1008 Q1009	L994-A1005 HydrophobicContact CB-CB 3.9Å; E995-A1005 HydrophobicContact CB-CB 4.46Å; Y1001-A1005 PolarHBondContact O-N 3Å; K1002-A1005 VanDerWaalsContact O-CB 3.31Å; K1002-A1005 WeakPolarHBondContact O-CB 3.25Å; K1002-A1005 PolarHBondContact O-N 2.81Å; A1003-A1005 VanDerWaalsContact C-N 3.34Å; A1005-I1007 VanDerWaalsContact C-N 3.32Å; A1005-W1008 PolarHBondContact O-N 3.49Å; A1005-Q1009 PolarHBondContact O-N 3.25Å
1006	K	90.5	Very high	85.1	Confident	143 Å²	143	67.8 Å²	67.8	62%	0.622	32%	0.324	S	S	*	.	H	α-helix		0	-36.8	0	-74.6	-176.2	-177.4	178	0	110.4	K1002 A1003 E1004 W1008 Q1009 Q1010	K1002-K1006 WeakPolarHBondContact O-CG 3.4Å; K1002-K1006 PolarHBondContact O-N 3.16Å; A1003-K1006 WeakPolarHBondContact O-CB 2.01Å; A1003-K1006 PolarHBondContact O-N 2.66Å; E1004-K1006 PolarHBondContact O-N 2.92Å; K1006-W1008 VanDerWaalsContact C-N 3.34Å; K1006-Q1009 WeakPolarHBondContact O-CB 2.98Å; K1006-Q1009 PolarHBondContact O-N 3.3Å; K1006-Q1010 WeakPolarHBondContact O-CG 3.27Å; K1006-Q1010 PolarHBondContact O-N 3.01Å
1007	I	91.5	Very high	84.4	Confident	27 Å²	27	64.6 Å²	64.6	14%	0.138	32%	0.321	C	S	.	.	H	α-helix	trans	-67	-38.6	179.7	-62.9	175.1	0	0	0	109.5	A908 E909 L912 A1003 E1004 A1005 Q1009 Q1010 I1011	A908-I1007 HydrophobicContact CB-CB 3.99Å; A908-I1007 HydrophobicContact CB-CD1 4.47Å; A908-I1007 HydrophobicContact CB-CG2 3.68Å; E909-I1007 HydrophobicContact CG-CD1 3.82Å; E909-I1007 WeakPolarHBondContact OE1-CD1 2.79Å; L912-I1007 HydrophobicContact CB-CG2 4.18Å; L912-I1007 HydrophobicContact CD2-CG2 3.82Å; A1003-I1007 WeakPolarHBondContact O-CG1 2.58Å; A1003-I1007 PolarHBondContact O-N 3.04Å; E1004-I1007 WeakPolarHBondContact O-CB 3.47Å; E1004-I1007 PolarHBondContact O-N 3.01Å; E1004-I1007 VanDerWaalsContact O-N 3.08Å; A1005-I1007 VanDerWaalsContact C-N 3.32Å; I1007-Q1009 VanDerWaalsContact C-N 3.31Å; I1007-Q1009 PolarHBondContact O-N 3.48Å; I1007-Q1010 WeakPolarHBondContact O-CA 3.42Å; I1007-Q1010 WeakPolarHBondContact O-CB 3.33Å; I1007-Q1010 PolarHBondContact O-N 3.31Å; I1007-I1011 HydrophobicContact CG2-CD1 4.37Å; I1007-I1011 WeakPolarHBondContact O-CG1 2.96Å; I1007-I1011 PolarHBondContact O-N 2.85Å
1008	W	90.9	Very high	83.5	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-67.7	-31.3	178.7	-85.4	103.8	0	0	0	110.9	L840 F843 M907 A987 I990 A991 E1004 A1005 K1006 Q1010 I1011 Q1012	L840-W1008 HydrophobicContact CD2-CZ2 3.45Å; L840-W1008 VanDerWaalsContact CD2-CZ2 3.45Å; L840-W1008 VanDerWaalsContact CD2-NE1 3.3Å; F843-W1008 HydrophobicContact CB-CH2 3.79Å; F843-W1008 HydrophobicContact CB-CZ3 4.42Å; F843-W1008 AromaticContact CD1-CH2 3.6Å; F843-W1008 HydrophobicContact CD1-CH2 3.6Å; F843-W1008 HydrophobicContact CD1-CZ3 4.21Å; F843-W1008 AromaticContact CD2-CH2 3.7Å; F843-W1008 HydrophobicContact CD2-CH2 3.7Å; F843-W1008 AromaticContact CD2-CZ3 3.55Å; F843-W1008 HydrophobicContact CD2-CZ3 3.55Å; F843-W1008 HydrophobicContact CE1-CH2 4.04Å; F843-W1008 HydrophobicContact CE1-CZ3 4.36Å; F843-W1008 HydrophobicContact CE2-CH2 4.13Å; F843-W1008 AromaticContact CE2-CZ3 3.73Å; F843-W1008 HydrophobicContact CE2-CZ3 3.73Å; F843-W1008 AromaticContact CG-CH2 3.4Å; F843-W1008 HydrophobicContact CG-CH2 3.4Å; F843-W1008 VanDerWaalsContact CG-CH2 3.4Å; F843-W1008 AromaticContact CG-CZ3 3.81Å; F843-W1008 HydrophobicContact CG-CZ3 3.81Å; F843-W1008 HydrophobicContact CZ-CH2 4.28Å; F843-W1008 HydrophobicContact CZ-CZ3 4.13Å; M907-W1008 HydrophobicContact CE-CH2 4.42Å; M907-W1008 HydrophobicContact CE-CZ2 4.48Å; A987-W1008 HydrophobicContact CB-CE3 3.93Å; A987-W1008 HydrophobicContact CB-CZ3 4.27Å; I990-W1008 HydrophobicContact CB-CD2 4.38Å; I990-W1008 HydrophobicContact CD1-CE3 4.31Å; I990-W1008 HydrophobicContact CD1-CH2 3.9Å; I990-W1008 HydrophobicContact CD1-CZ2 4.2Å; I990-W1008 HydrophobicContact CD1-CZ3 3.95Å; I990-W1008 HydrophobicContact CG2-CD2 3.85Å; I990-W1008 HydrophobicContact CG2-CE3 4.47Å; I990-W1008 HydrophobicContact CG2-CG 3.91Å; I990-W1008 HydrophobicContact CG2-CZ2 4.39Å; A991-W1008 HydrophobicContact CB-CB 4.08Å; E1004-W1008 VanDerWaalsContact O-CD1 3.3Å; E1004-W1008 PolarHBondContact O-N 3.45Å; A1005-W1008 PolarHBondContact O-N 3.49Å; K1006-W1008 VanDerWaalsContact C-N 3.34Å; W1008-Q1010 PolarHBondContact O-N 3.48Å; W1008-I1011 HydrophobicContact CD2-CD1 4.02Å; W1008-I1011 HydrophobicContact CE3-CB 4.31Å; W1008-I1011 HydrophobicContact CE3-CD1 3.84Å; W1008-I1011 HydrophobicContact CE3-CG2 4.29Å; W1008-I1011 HydrophobicContact CG-CD1 4.49Å; W1008-I1011 HydrophobicContact CZ3-CD1 4.18Å; W1008-I1011 HydrophobicContact CZ3-CG2 4.41Å; W1008-I1011 WeakPolarHBondContact O-CB 3.33Å; W1008-I1011 PolarHBondContact O-N 3.24Å; W1008-Q1012 WeakPolarHBondContact O-CB 3.02Å; W1008-Q1012 PolarHBondContact O-N 3.22Å
1009	Q	89.4	Confident	82.2	Confident	75 Å²	75	60.9 Å²	60.9	35%	0.35	31%	0.312	S	S	.	.	H	α-helix	trans	-63.3	0	173	-85	177.1	4.5	0	0	110.8	A991 A1005 K1006 I1007 I1011 Q1012 L1013	A991-Q1009 HydrophobicContact CB-CG 3.77Å; A1005-Q1009 PolarHBondContact O-N 3.25Å; K1006-Q1009 WeakPolarHBondContact O-CB 2.98Å; K1006-Q1009 PolarHBondContact O-N 3.3Å; I1007-Q1009 VanDerWaalsContact C-N 3.31Å; I1007-Q1009 PolarHBondContact O-N 3.48Å; Q1009-I1011 VanDerWaalsContact C-N 3.27Å; Q1009-Q1012 WeakPolarHBondContact O-CB 3.32Å; Q1009-Q1012 PolarHBondContact O-N 3.37Å; Q1009-L1013 VanDerWaalsContact O-CG 3.29Å; Q1009-L1013 WeakPolarHBondContact O-CG 2.8Å; Q1009-L1013 PolarHBondContact O-N 3.2Å
1010	Q	89.3	Confident	80.7	Confident	101 Å²	101	56.5 Å²	56.5	47%	0.472	29%	0.294	S	S	.	.	H	α-helix		0	-41.4	0	-71.7	-177.7	38.1	0	0	110.6	L912 K1006 I1007 W1008 Q1012 L1013 K1014	L912-Q1010 HydrophobicContact CD1-CB 4.28Å; K1006-Q1010 WeakPolarHBondContact O-CG 3.27Å; K1006-Q1010 PolarHBondContact O-N 3.01Å; I1007-Q1010 WeakPolarHBondContact O-CA 3.42Å; I1007-Q1010 WeakPolarHBondContact O-CB 3.33Å; I1007-Q1010 PolarHBondContact O-N 3.31Å; W1008-Q1010 PolarHBondContact O-N 3.48Å; Q1010-Q1012 VanDerWaalsContact C-N 3.27Å; Q1010-Q1012 PolarHBondContact O-N 3.27Å; Q1010-L1013 PolarHBondContact O-N 3Å; Q1010-K1014 WeakPolarHBondContact O-CG 2.14Å; Q1010-K1014 PolarHBondContact O-N 3.46Å
1011	I	88.7	Confident	79	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.9	-43.1	179.1	-68.8	172.8	0	0	0	109.9	A908 V911 L912 L915 A987 I1007 W1008 Q1009 L1013 K1014 L1015	A908-I1011 WeakPolarHBondContact O-CD1 3.16Å; V911-I1011 HydrophobicContact CB-CD1 4Å; V911-I1011 HydrophobicContact CG1-CD1 3.93Å; V911-I1011 HydrophobicContact CG1-CG2 4.3Å; L912-I1011 HydrophobicContact CB-CD1 4.43Å; L912-I1011 HydrophobicContact CB-CG1 4.06Å; L912-I1011 HydrophobicContact CD1-CG1 4.03Å; L915-I1011 HydrophobicContact CD1-CB 4.39Å; L915-I1011 HydrophobicContact CD1-CG1 4.42Å; L915-I1011 HydrophobicContact CD1-CG2 3.6Å; A987-I1011 HydrophobicContact CB-CG2 4.45Å; I1007-I1011 HydrophobicContact CG2-CD1 4.37Å; I1007-I1011 WeakPolarHBondContact O-CG1 2.96Å; I1007-I1011 PolarHBondContact O-N 2.85Å; W1008-I1011 HydrophobicContact CD2-CD1 4.02Å; W1008-I1011 HydrophobicContact CE3-CB 4.31Å; W1008-I1011 HydrophobicContact CE3-CD1 3.84Å; W1008-I1011 HydrophobicContact CE3-CG2 4.29Å; W1008-I1011 HydrophobicContact CG-CD1 4.49Å; W1008-I1011 HydrophobicContact CZ3-CD1 4.18Å; W1008-I1011 HydrophobicContact CZ3-CG2 4.41Å; W1008-I1011 WeakPolarHBondContact O-CB 3.33Å; W1008-I1011 PolarHBondContact O-N 3.24Å; Q1009-I1011 VanDerWaalsContact C-N 3.27Å; I1011-L1013 VanDerWaalsContact C-N 3.3Å; I1011-L1013 PolarHBondContact O-N 3.22Å; I1011-K1014 PolarHBondContact O-N 3.47Å; I1011-L1015 HydrophobicContact CG2-CD1 3.83Å; I1011-L1015 HydrophobicContact CG2-CG 4.33Å; I1011-L1015 WeakPolarHBondContact O-CG 3.14Å; I1011-L1015 PolarHBondContact O-N 3.1Å
1012	Q	86.9	Confident	76.8	Confident	46 Å²	46	52.8 Å²	52.8	22%	0.215	28%	0.279	C	S	.	.	H	α-helix	trans	-58.3	-42.4	177	179.6	-111.4	-14.2	0	0	111.4	P984 A987 N988 W1008 Q1009 Q1010 K1014 L1015 A1016	P984-Q1012 WeakPolarHBondContact O-CG 3.29Å; A987-Q1012 HydrophobicContact CB-CB 4.02Å; N988-Q1012 HydrophobicContact CB-CG 4.05Å; W1008-Q1012 WeakPolarHBondContact O-CB 3.02Å; W1008-Q1012 PolarHBondContact O-N 3.22Å; Q1009-Q1012 WeakPolarHBondContact O-CB 3.32Å; Q1009-Q1012 PolarHBondContact O-N 3.37Å; Q1010-Q1012 VanDerWaalsContact C-N 3.27Å; Q1010-Q1012 PolarHBondContact O-N 3.27Å; Q1012-K1014 VanDerWaalsContact C-N 3.27Å; Q1012-K1014 PolarHBondContact O-N 2.71Å; Q1012-L1015 PolarHBondContact O-N 3.09Å; Q1012-A1016 WeakPolarHBondContact O-CA 3.15Å; Q1012-A1016 WeakPolarHBondContact O-CB 3.14Å; Q1012-A1016 PolarHBondContact O-N 3.28Å
1013	L	84.9	Confident	74.6	Confident	111 Å²	111	48.7 Å²	48.7	58%	0.581	26%	0.262	S	S	*	.	H	α-helix	trans	-66.5	-36.9	-177.9	-75.3	172.5	0	0	0	110.3	Q1009 Q1010 I1011 A1016 S1017	Q1009-L1013 VanDerWaalsContact O-CG 3.29Å; Q1009-L1013 WeakPolarHBondContact O-CG 2.8Å; Q1009-L1013 PolarHBondContact O-N 3.2Å; Q1010-L1013 PolarHBondContact O-N 3Å; I1011-L1013 VanDerWaalsContact C-N 3.3Å; I1011-L1013 PolarHBondContact O-N 3.22Å; L1013-A1016 PolarHBondContact O-N 3.47Å; L1013-S1017 VanDerWaalsContact O-CB 3.28Å; L1013-S1017 WeakPolarHBondContact O-CB 3.15Å; L1013-S1017 PolarHBondContact O-N 2.97Å
1014	K	82.9	Confident	72.2	Confident	90 Å²	90	49.9 Å²	49.9	39%	0.391	26%	0.259	S	S	.	.	H	α-helix	trans	-70.3	-40.3	179.8	-71.6	-73.1	-175.1	-173.9	0	110.6	L923 Q1010 I1011 Q1012 A1016 S1017	L923-K1014 HydrophobicContact CD2-CB 4.33Å; Q1010-K1014 WeakPolarHBondContact O-CG 2.14Å; Q1010-K1014 PolarHBondContact O-N 3.46Å; I1011-K1014 PolarHBondContact O-N 3.47Å; Q1012-K1014 VanDerWaalsContact C-N 3.27Å; Q1012-K1014 PolarHBondContact O-N 2.71Å; K1014-A1016 VanDerWaalsContact C-N 3.27Å; K1014-S1017 VanDerWaalsContact C-OG 3.25Å; K1014-S1017 WeakPolarHBondContact CA-OG 3.42Å; K1014-S1017 PolarHBondContact O-N 3.32Å; K1014-S1017 PolarHBondContact O-OG 2.95Å
1015	L	79.8	Confident	69.9	Low	5 Å²	5	52.6 Å²	52.6	3%	0.026	28%	0.277	C	S	.	.	H	α-helix	trans	-71	0	179.9	-73.8	172.6	0	0	0	111.2	L915 L923 W926 L983 P984 I1011 Q1012 S1017 L1018	L915-L1015 HydrophobicContact CD1-CD2 4.46Å; L915-L1015 HydrophobicContact CD1-CG 4.3Å; L915-L1015 HydrophobicContact CD2-CD2 4.08Å; L923-L1015 HydrophobicContact CD1-CD2 4.34Å; W926-L1015 HydrophobicContact CE3-CD2 4.15Å; W926-L1015 HydrophobicContact CH2-CD2 3.6Å; W926-L1015 HydrophobicContact CZ3-CD2 3.29Å; L983-L1015 HydrophobicContact CB-CD1 4.19Å; P984-L1015 HydrophobicContact CB-CB 4.33Å; P984-L1015 HydrophobicContact CG-CB 3.87Å; I1011-L1015 HydrophobicContact CG2-CD1 3.83Å; I1011-L1015 HydrophobicContact CG2-CG 4.33Å; I1011-L1015 WeakPolarHBondContact O-CG 3.14Å; I1011-L1015 PolarHBondContact O-N 3.1Å; Q1012-L1015 PolarHBondContact O-N 3.09Å; L1015-S1017 VanDerWaalsContact C-N 3.28Å; L1015-L1018 HydrophobicContact CD2-CD1 4.23Å; L1015-L1018 WeakPolarHBondContact O-CB 2.08Å; L1015-L1018 WeakPolarHBondContact O-CD1 3.26Å
1016	A	72.3	Confident	67.6	Low	41 Å²	41	55.6 Å²	55.6	34%	0.339	30%	0.296	S	S	.	.	H	α-helix		0	0	0	0	0	0	0	0	110.6	Q1012 L1013 K1014 L1018	Q1012-A1016 WeakPolarHBondContact O-CA 3.15Å; Q1012-A1016 WeakPolarHBondContact O-CB 3.14Å; Q1012-A1016 PolarHBondContact O-N 3.28Å; L1013-A1016 PolarHBondContact O-N 3.47Å; K1014-A1016 VanDerWaalsContact C-N 3.27Å; A1016-L1018 PolarHBondContact O-N 2.94Å
1017	S	67.6	Low	65.4	Low	79 Å²	79	52.2 Å²	52.2	55%	0.552	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn		0	-5.2	0	66.4	0	0	0	0	110.7	L1013 K1014 L1015	L1013-S1017 VanDerWaalsContact O-CB 3.28Å; L1013-S1017 WeakPolarHBondContact O-CB 3.15Å; L1013-S1017 PolarHBondContact O-N 2.97Å; K1014-S1017 VanDerWaalsContact C-OG 3.25Å; K1014-S1017 WeakPolarHBondContact CA-OG 3.42Å; K1014-S1017 PolarHBondContact O-N 3.32Å; K1014-S1017 PolarHBondContact O-OG 2.95Å; L1015-S1017 VanDerWaalsContact C-N 3.28Å
1018	L	62	Low	63.1	Low	10 Å²	10	53.5 Å²	53.5	5%	0.052	29%	0.294	C	S	.	.	S	Bend	trans	-68.2	0	173.4	-73.3	163.8	0	0	0	110.9	L923 A927 Y980 L1015 A1016 Q1020	L923-L1018 HydrophobicContact CD1-CD1 3.7Å; L923-L1018 HydrophobicContact CD1-CD2 3.63Å; L923-L1018 HydrophobicContact CD1-CG 3.67Å; L923-L1018 HydrophobicContact CG-CD2 3.72Å; L923-L1018 HydrophobicContact CG-CG 4.17Å; L923-L1018 WeakPolarHBondContact O-CD2 3.34Å; A927-L1018 HydrophobicContact CB-CD2 2.95Å; A927-L1018 HydrophobicContact CB-CG 4.36Å; Y980-L1018 HydrophobicContact CD2-CD1 4.47Å; Y980-L1018 HydrophobicContact CE1-CB 4.32Å; Y980-L1018 HydrophobicContact CE2-CB 4.32Å; Y980-L1018 HydrophobicContact CE2-CD1 3.26Å; Y980-L1018 HydrophobicContact CE2-CG 4.28Å; Y980-L1018 VanDerWaalsContact CZ-CB 3.49Å; Y980-L1018 WeakPolarHBondContact OH-CB 3.44Å; Y980-L1018 WeakPolarHBondContact OH-CD1 2.91Å; Y980-L1018 WeakPolarHBondContact OH-CD2 3.29Å; Y980-L1018 WeakPolarHBondContact OH-CG 3.09Å; L1015-L1018 HydrophobicContact CD2-CD1 4.23Å; L1015-L1018 WeakPolarHBondContact O-CB 2.08Å; L1015-L1018 WeakPolarHBondContact O-CD1 3.26Å; A1016-L1018 PolarHBondContact O-N 2.94Å; L1018-Q1020 PolarHBondContact O-N 2.97Å
1019	P	51.2	Low	60.6	Low	39 Å²	39	58.3 Å²	58.3	25%	0.253	32%	0.319	S	S	.	.				0	101.4	0	-5.3	10.7	0	0	0	112	T1021 N1024	P1019-T1021 HydrophobicContact CB-CG2 4.27Å; P1019-T1021 PolarHBondContact O-N 3.19Å; P1019-N1024 WeakPolarHBondContact CA-ND2 3.2Å; P1019-N1024 HydrophobicContact CB-CB 4.25Å; P1019-N1024 WeakPolarHBondContact CB-ND2 3.47Å
1020	Q	49.5	Very low	58.4	Low	82 Å²	82	56.8 Å²	56.8	38%	0.383	32%	0.315	S	S	.	.			trans	-47.6	57.3	160.2	-75.3	176	3.4	0	0	111.2	L1018 I1022 D1023 N1024	L1018-Q1020 PolarHBondContact O-N 2.97Å; Q1020-I1022 PolarHBondContact O-N 3.25Å; Q1020-D1023 HydrophobicContact CB-CB 4.33Å; Q1020-D1023 PolarHBondContact O-N 3.44Å; Q1020-D1023 PolarHBondContact OE1-OD2 3.46Å; Q1020-N1024 PolarHBondContact O-N 3.16Å
1021	T	43.5	Very low	56.4	Low	16 Å²	16	57.4 Å²	57.4	10%	0.098	32%	0.316	C	S	.	.	H	α-helix	trans	-26.8	0.5	-173.3	43.1	0	0	0	0	110.8	Q931 P1019	Q931-T1021 HydrophobicContact CB-CG2 3.68Å; Q931-T1021 HydrophobicContact CG-CG2 2.91Å; Q931-T1021 VanDerWaalsContact NE2-CG2 3.26Å; P1019-T1021 HydrophobicContact CB-CG2 4.27Å; P1019-T1021 PolarHBondContact O-N 3.19Å
1022	I	40.5	Very low	54.4	Low	36 Å²	36	64.6 Å²	64.6	19%	0.185	34%	0.343	C	S	.	.	H	α-helix	trans	-104.4	-22.9	165.5	-85.9	166.7	0	0	0	109.6	Q1020 C1026 V1213	Q1020-I1022 PolarHBondContact O-N 3.25Å; I1022-C1026 HydrophobicContact CG2-CB 4.4Å; I1022-C1026 WeakPolarHBondContact O-CA 3.32Å; I1022-C1026 WeakPolarHBondContact O-CB 3.39Å; I1022-C1026 PolarHBondContact O-N 3.38Å; I1022-C1026 VanDerWaalsContact O-N 3.15Å; I1022-V1213 HydrophobicContact CB-CB 4.44Å; I1022-V1213 HydrophobicContact CB-CG1 3.79Å; I1022-V1213 HydrophobicContact CB-CG2 4.46Å; I1022-V1213 HydrophobicContact CD1-CB 3.54Å; I1022-V1213 HydrophobicContact CD1-CG1 2.18Å; I1022-V1213 HydrophobicContact CD1-CG2 4.25Å; I1022-V1213 HydrophobicContact CG1-CG1 3.43Å; I1022-V1213 VanDerWaalsContact CG1-CG1 3.43Å; I1022-V1213 HydrophobicContact CG2-CB 3.89Å; I1022-V1213 HydrophobicContact CG2-CG1 3.57Å; I1022-V1213 HydrophobicContact CG2-CG2 3.4Å
1023	D	37.8	Very low	52.2	Low	35 Å²	35	65.8 Å²	65.8	19%	0.187	35%	0.35	C	S	.	.	H	α-helix	trans	-90.2	-23.1	-176.2	-76.7	-26.6	0	0	0	110.6	Q1020 M1027 P1028	Q1020-D1023 HydrophobicContact CB-CB 4.33Å; Q1020-D1023 PolarHBondContact O-N 3.44Å; Q1020-D1023 PolarHBondContact OE1-OD2 3.46Å; D1023-M1027 HydrophobicContact CB-CG 3.87Å; D1023-M1027 VanDerWaalsContact O-CA 3.32Å; D1023-M1027 WeakPolarHBondContact O-CA 3.19Å; D1023-M1027 WeakPolarHBondContact O-CB 3.22Å; D1023-M1027 WeakPolarHBondContact O-CG 3.16Å; D1023-M1027 PolarHBondContact O-N 2.71Å; D1023-P1028 VanDerWaalsContact O-CD 3.27Å; D1023-P1028 WeakPolarHBondContact O-CD 3.48Å
1024	N	38.1	Very low	50.2	Low	96 Å²	96	61.3 Å²	61.3	51%	0.513	33%	0.327	S	S	.	.	H	α-helix	trans	-101.3	-16.9	-175.2	-71.7	-25.7	0	0	0	110.4	P1019 Q1020 P1028	P1019-N1024 WeakPolarHBondContact CA-ND2 3.2Å; P1019-N1024 HydrophobicContact CB-CB 4.25Å; P1019-N1024 WeakPolarHBondContact CB-ND2 3.47Å; Q1020-N1024 PolarHBondContact O-N 3.16Å; N1024-P1028 VanDerWaalsContact C-CD 3.41Å; N1024-P1028 WeakPolarHBondContact O-CD 2.58Å; N1024-P1028 WeakPolarHBondContact O-CG 3.36Å
1025	V	41.3	Very low	48.7	Very low	70 Å²	70	61.9 Å²	61.9	42%	0.424	33%	0.333	S	S	.	.	H	α-helix	trans	-106.7	-31.4	177.6	177.7	0	0	0	0	109.1
1026	C	40.3	Very low	46.7	Very low	65 Å²	65	64 Å²	64	44%	0.439	36%	0.357	S	S	.	.	H	α-helix	trans	-99.8	-23.3	-177	-72.1	0	0	0	0	110.5	I1022 L1029 V1030	I1022-C1026 HydrophobicContact CG2-CB 4.4Å; I1022-C1026 WeakPolarHBondContact O-CA 3.32Å; I1022-C1026 WeakPolarHBondContact O-CB 3.39Å; I1022-C1026 PolarHBondContact O-N 3.38Å; I1022-C1026 VanDerWaalsContact O-N 3.15Å; C1026-L1029 PolarHBondContact O-N 3.04Å; C1026-V1030 VanDerWaalsContact O-CB 3.24Å; C1026-V1030 WeakPolarHBondContact O-CB 3.32Å; C1026-V1030 WeakPolarHBondContact O-CG2 3.42Å; C1026-V1030 PolarHBondContact O-N 3.47Å
1027	M	45	Very low	45.3	Very low	73 Å²	73	68 Å²	68	36%	0.36	37%	0.369	S	S	.	.	H	α-helix	trans	-85.9	0	-174.2	-84.1	-59.3	-74.5	0	0	110.3	D1023 V1030 K1031	D1023-M1027 HydrophobicContact CB-CG 3.87Å; D1023-M1027 VanDerWaalsContact O-CA 3.32Å; D1023-M1027 WeakPolarHBondContact O-CA 3.19Å; D1023-M1027 WeakPolarHBondContact O-CB 3.22Å; D1023-M1027 WeakPolarHBondContact O-CG 3.16Å; D1023-M1027 PolarHBondContact O-N 2.71Å; M1027-V1030 CarbonylContact O-C 3.33Å; M1027-V1030 PolarHBondContact O-N 2.93Å; M1027-V1030 HydrophobicContact SD-CB 4.41Å; M1027-K1031 VanDerWaalsContact O-CA 3.23Å; M1027-K1031 WeakPolarHBondContact O-CA 3.26Å; M1027-K1031 WeakPolarHBondContact O-CB 3.47Å; M1027-K1031 PolarHBondContact O-N 3.5Å
1028	P	42.9	Very low	43.6	Very low	54 Å²	54	68 Å²	68	35%	0.351	36%	0.362	S	S	.	.	H	α-helix		0	0	0	-22.9	28.3	0	0	0	111.5	D1023 N1024 K1031 R1032	D1023-P1028 VanDerWaalsContact O-CD 3.27Å; D1023-P1028 WeakPolarHBondContact O-CD 3.48Å; N1024-P1028 VanDerWaalsContact C-CD 3.41Å; N1024-P1028 WeakPolarHBondContact O-CD 2.58Å; N1024-P1028 WeakPolarHBondContact O-CG 3.36Å; P1028-K1031 CarbonylContact O-C 3.52Å; P1028-K1031 WeakPolarHBondContact O-CB 3.36Å; P1028-K1031 PolarHBondContact O-N 3.08Å; P1028-R1032 WeakPolarHBondContact O-CA 3.39Å; P1028-R1032 WeakPolarHBondContact O-CB 3.42Å; P1028-R1032 WeakPolarHBondContact O-CG 3.37Å; P1028-R1032 PolarHBondContact O-N 3.44Å
1029	L	39.1	Very low	42.1	Very low	101 Å²	101	73 Å²	73	53%	0.529	40%	0.397	S	S	.	.	H	α-helix		0	-40	0	-122.3	133.7	0	0	0	110.9	C1026 K1031 R1032 I1033 L1038	C1026-L1029 PolarHBondContact O-N 3.04Å; L1029-K1031 VanDerWaalsContact C-N 3.31Å; L1029-R1032 PolarHBondContact O-N 3.15Å; L1029-I1033 HydrophobicContact CD2-CD1 4.32Å; L1029-I1033 VanDerWaalsContact O-CB 3.28Å; L1029-I1033 WeakPolarHBondContact O-CB 3.42Å; L1029-I1033 WeakPolarHBondContact O-CG1 3.42Å; L1029-I1033 PolarHBondContact O-N 3.04Å; L1029-L1038 HydrophobicContact CD2-CD1 4.33Å
1030	V	43.8	Very low	41.2	Very low	42 Å²	42	76.3 Å²	76.3	26%	0.255	42%	0.416	S	S	.	.	H	α-helix	trans	-65.9	-33.7	171.5	174.4	0	0	0	0	109.5	C1026 M1027 I1033 N1034	C1026-V1030 VanDerWaalsContact O-CB 3.24Å; C1026-V1030 WeakPolarHBondContact O-CB 3.32Å; C1026-V1030 WeakPolarHBondContact O-CG2 3.42Å; C1026-V1030 PolarHBondContact O-N 3.47Å; M1027-V1030 CarbonylContact O-C 3.33Å; M1027-V1030 PolarHBondContact O-N 2.93Å; M1027-V1030 HydrophobicContact SD-CB 4.41Å; V1030-I1033 CarbonylContact O-C 3.36Å; V1030-I1033 PolarHBondContact O-N 2.96Å; V1030-N1034 WeakPolarHBondContact CG1-ND2 2.67Å; V1030-N1034 VanDerWaalsContact O-CA 3.31Å; V1030-N1034 WeakPolarHBondContact O-CA 3.23Å; V1030-N1034 WeakPolarHBondContact O-CB 3.46Å; V1030-N1034 PolarHBondContact O-N 3.47Å; V1030-N1034 PolarHBondContact O-ND2 2.42Å; V1030-N1034 PolarHBondContact O-OD1 2.88Å
1031	K	46.8	Very low	40.2	Very low	114 Å²	114	77.9 Å²	77.9	50%	0.496	44%	0.436	S	S	.	.	H	α-helix	trans	-73	-34.8	177.1	-128.6	178.3	-178.9	179.2	0	110.3	M1027 P1028 L1029 N1034 L1035	M1027-K1031 VanDerWaalsContact O-CA 3.23Å; M1027-K1031 WeakPolarHBondContact O-CA 3.26Å; M1027-K1031 WeakPolarHBondContact O-CB 3.47Å; M1027-K1031 PolarHBondContact O-N 3.5Å; P1028-K1031 CarbonylContact O-C 3.52Å; P1028-K1031 WeakPolarHBondContact O-CB 3.36Å; P1028-K1031 PolarHBondContact O-N 3.08Å; L1029-K1031 VanDerWaalsContact C-N 3.31Å; K1031-N1034 CarbonylContact O-C 3.48Å; K1031-N1034 PolarHBondContact O-N 2.92Å; K1031-L1035 HydrophobicContact CB-CD1 4.42Å; K1031-L1035 HydrophobicContact CG-CD1 4.33Å; K1031-L1035 WeakPolarHBondContact O-CA 3.32Å; K1031-L1035 WeakPolarHBondContact O-CB 3.2Å; K1031-L1035 VanDerWaalsContact O-CD1 3.22Å; K1031-L1035 WeakPolarHBondContact O-CD1 3.18Å; K1031-L1035 WeakPolarHBondContact O-CG 3.03Å; K1031-L1035 PolarHBondContact O-N 3.28Å
1032	R	46	Very low	39.4	Very low	152 Å²	152	84.2 Å²	84.2	57%	0.574	47%	0.469	S	S	*	.	H	α-helix	trans	-77.5	0	178.7	-87.6	-170.7	-163.9	166.7	-1	110	P1028 L1029 G1036 Q1037 L1038	P1028-R1032 WeakPolarHBondContact O-CA 3.39Å; P1028-R1032 WeakPolarHBondContact O-CB 3.42Å; P1028-R1032 WeakPolarHBondContact O-CG 3.37Å; P1028-R1032 PolarHBondContact O-N 3.44Å; L1029-R1032 PolarHBondContact O-N 3.15Å; R1032-G1036 PolarHBondContact O-N 3.2Å; R1032-Q1037 HydrophobicContact CB-CB 4.47Å; R1032-Q1037 HydrophobicContact CG-CB 4.43Å; R1032-Q1037 CarbonylContact O-C 2.83Å; R1032-Q1037 WeakPolarHBondContact O-CA 3.46Å; R1032-Q1037 PolarHBondContact O-N 3.27Å; R1032-L1038 HydrophobicContact CB-CD1 3.68Å; R1032-L1038 HydrophobicContact CB-CG 4.22Å; R1032-L1038 PolarHBondContact O-N 3.21Å
1033	I	41.5	Very low	38.8	Very low	70 Å²	70	89.2 Å²	89.2	36%	0.359	50%	0.496	S	S	.	.	H	α-helix		0	-36.2	0	-70	173.2	0	0	0	109.3	L1029 V1030 G1036 L1038	L1029-I1033 HydrophobicContact CD2-CD1 4.32Å; L1029-I1033 VanDerWaalsContact O-CB 3.28Å; L1029-I1033 WeakPolarHBondContact O-CB 3.42Å; L1029-I1033 WeakPolarHBondContact O-CG1 3.42Å; L1029-I1033 PolarHBondContact O-N 3.04Å; V1030-I1033 CarbonylContact O-C 3.36Å; V1030-I1033 PolarHBondContact O-N 2.96Å; I1033-G1036 PolarHBondContact O-N 2.96Å; I1033-L1038 HydrophobicContact CB-CD1 4.17Å; I1033-L1038 HydrophobicContact CD1-CD1 4.26Å; I1033-L1038 HydrophobicContact CG1-CD1 3.16Å; I1033-L1038 HydrophobicContact CG1-CG 4.45Å
1034	N	41.8	Very low	38.4	Very low	18 Å²	18	95.6 Å²	95.6	10%	0.096	52%	0.522	C	S	.	.	H	α-helix	trans	-78.9	0	-178	-77.3	-22.7	0	0	0	111	V1030 K1031 G1036 R1123 Y1124	V1030-N1034 WeakPolarHBondContact CG1-ND2 2.67Å; V1030-N1034 VanDerWaalsContact O-CA 3.31Å; V1030-N1034 WeakPolarHBondContact O-CA 3.23Å; V1030-N1034 WeakPolarHBondContact O-CB 3.46Å; V1030-N1034 PolarHBondContact O-N 3.47Å; V1030-N1034 PolarHBondContact O-ND2 2.42Å; V1030-N1034 PolarHBondContact O-OD1 2.88Å; K1031-N1034 CarbonylContact O-C 3.48Å; K1031-N1034 PolarHBondContact O-N 2.92Å; N1034-G1036 PolarHBondContact O-N 3.32Å; N1034-R1123 HydrophobicContact CB-CB 3.96Å; N1034-R1123 HydrophobicContact CB-CG 3.22Å; N1034-R1123 VanDerWaalsContact CG-CA 3.43Å; N1034-R1123 WeakPolarHBondContact ND2-CB 3.42Å; N1034-R1123 WeakPolarHBondContact ND2-CD 3.16Å; N1034-R1123 WeakPolarHBondContact ND2-CG 3.35Å; N1034-R1123 WeakPolarHBondContact OD1-CA 3.38Å; N1034-R1123 WeakPolarHBondContact OD1-CB 3.45Å; N1034-R1123 WeakPolarHBondContact OD1-CG 3.06Å; N1034-Y1124 PolarHBondContact OD1-N 3.18Å
1035	L	52.8	Low	38	Very low	101 Å²	101	101.1 Å²	101.1	53%	0.529	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn		0	13.9	0	-73.2	167.3	0	0	0	109.6	K1031 Q1037	K1031-L1035 HydrophobicContact CB-CD1 4.42Å; K1031-L1035 HydrophobicContact CG-CD1 4.33Å; K1031-L1035 WeakPolarHBondContact O-CA 3.32Å; K1031-L1035 WeakPolarHBondContact O-CB 3.2Å; K1031-L1035 VanDerWaalsContact O-CD1 3.22Å; K1031-L1035 WeakPolarHBondContact O-CD1 3.18Å; K1031-L1035 WeakPolarHBondContact O-CG 3.03Å; K1031-L1035 PolarHBondContact O-N 3.28Å; L1035-Q1037 HydrophobicContact CB-CB 4.12Å; L1035-Q1037 HydrophobicContact CB-CG 3.47Å; L1035-Q1037 VanDerWaalsContact CB-CG 3.47Å; L1035-Q1037 PolarHBondContact O-N 3.42Å
1036	G	36.8	Very low	37.5	Very low	51 Å²	51	104.4 Å²	104.4	53%	0.526	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	60.6	7.9	178.7	0	0	0	0	0	111.7	R1032 I1033 N1034	R1032-G1036 PolarHBondContact O-N 3.2Å; I1033-G1036 PolarHBondContact O-N 2.96Å; N1034-G1036 PolarHBondContact O-N 3.32Å
1037	Q	44	Very low	37.1	Very low	125 Å²	125	108 Å²	108	58%	0.584	57%	0.57	S	S	*	*			trans	-85.5	0	-174.2	-71.1	178.6	-10.5	0	0	110.3	R1032 L1035	R1032-Q1037 HydrophobicContact CB-CB 4.47Å; R1032-Q1037 HydrophobicContact CG-CB 4.43Å; R1032-Q1037 CarbonylContact O-C 2.83Å; R1032-Q1037 WeakPolarHBondContact O-CA 3.46Å; R1032-Q1037 PolarHBondContact O-N 3.27Å; L1035-Q1037 HydrophobicContact CB-CB 4.12Å; L1035-Q1037 HydrophobicContact CB-CG 3.47Å; L1035-Q1037 VanDerWaalsContact CB-CG 3.47Å; L1035-Q1037 PolarHBondContact O-N 3.42Å
1038	L	31	Very low	36.1	Very low	79 Å²	79	113.3 Å²	113.3	41%	0.414	60%	0.599	S	S	.	*				0	85.2	0	-97	145.5	0	0	0	109.6	L1029 R1032 I1033	L1029-L1038 HydrophobicContact CD2-CD1 4.33Å; R1032-L1038 HydrophobicContact CB-CD1 3.68Å; R1032-L1038 HydrophobicContact CB-CG 4.22Å; R1032-L1038 PolarHBondContact O-N 3.21Å; I1033-L1038 HydrophobicContact CB-CD1 4.17Å; I1033-L1038 HydrophobicContact CD1-CD1 4.26Å; I1033-L1038 HydrophobicContact CG1-CD1 3.16Å; I1033-L1038 HydrophobicContact CG1-CG 4.45Å
1039	C	30.4	Very low	35.3	Very low	115 Å²	115	115.7 Å²	115.7	78%	0.777	62%	0.616	S	S	*	*			trans	-77.5	88.2	176.2	-72.2	0	0	0	0	109.8	S1041	C1039-S1041 PolarHBondContact O-N 3.37Å; C1039-S1041 VanDerWaalsContact O-N 3.12Å
1040	T	31.6	Very low	34.9	Very low	107 Å²	107	120 Å²	120	66%	0.656	63%	0.631	S	S	*	*			trans	-53.3	81.3	161.6	58.5	0	0	0	0	110.8	L1042	T1040-L1042 PolarHBondContact O-N 3.42Å
1041	S	28.4	Very low	34.1	Very low	115 Å²	115	123.6 Å²	123.6	80%	0.804	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-17.4	44.8	155.9	82.5	0	0	0	0	111.5	C1039	C1039-S1041 PolarHBondContact O-N 3.37Å; C1039-S1041 VanDerWaalsContact O-N 3.12Å
1042	L	28.2	Very low	33.3	Very low	150 Å²	150	126.2 Å²	126.2	79%	0.785	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.1	0	159.7	-93.6	136	0	0	0	109.4	T1040	T1040-L1042 PolarHBondContact O-N 3.42Å
1043	D	27.2	Very low	32.4	Very low	140 Å²	140	123.3 Å²	123.3	75%	0.749	68%	0.675	S	S	*	*	S	Bend		0	61.6	0	-103.2	-10.9	0	0	0	109.4
1044	K	30.2	Very low	31.7	Very low	169 Å²	169	127.5 Å²	127.5	74%	0.735	70%	0.697	S	S	*	*			trans	167.2	78.7	151.3	-79.4	-175	-177.9	-178	0	109.3	D1046	K1044-D1046 PolarHBondContact O-N 1.84Å
1045	K	29.3	Very low	31.1	Very low	213 Å²	213	134.9 Å²	134.9	93%	0.926	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-6.2	0	140.6	-101.2	-178.7	177.4	173.7	0	111.6
1046	D	30.2	Very low	30	Very low	138 Å²	138	137.8 Å²	137.8	74%	0.738	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn		0	0	0	-83.9	-19	0	0	0	109.2	K1044	K1044-D1046 PolarHBondContact O-N 1.84Å
1047	I	32.4	Very low	29.6	Very low	141 Å²	141	142.8 Å²	142.8	72%	0.723	77%	0.765	S	S	*	*				0	31.3	0	-64.7	171.9	0	0	0	108.2	S1049	I1047-S1049 VanDerWaalsContact C-N 3.26Å; I1047-S1049 PolarHBondContact O-N 2.84Å; I1047-S1049 VanDerWaalsContact O-N 3.11Å
1048	L	23	Very low	29.1	Very low	185 Å²	185	140.1 Å²	140.1	97%	0.969	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	0	162.6	-73.4	167.2	0	0	0	110.3
1049	S	27.4	Very low	29	Very low	103 Å²	103	143.9 Å²	143.9	72%	0.72	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn		0	41.9	0	49.7	0	0	0	0	109.2	I1047	I1047-S1049 VanDerWaalsContact C-N 3.26Å; I1047-S1049 PolarHBondContact O-N 2.84Å; I1047-S1049 VanDerWaalsContact O-N 3.11Å
1050	K	29.4	Very low	29.2	Very low	193 Å²	193	145.1 Å²	145.1	84%	0.839	77%	0.766	S	S	*	*			trans	-148.7	116.2	162.3	-88.5	-179.2	-179.4	178.6	0	109.4
1051	P	28.6	Very low	29.1	Very low	117 Å²	117	146.1 Å²	146.1	76%	0.76	76%	0.763	S	S	*	*			trans	-81.3	100	-175.1	29	-1.9	0	0	0	111.8
1052	L	29.1	Very low	29.4	Very low	169 Å²	169	147.9 Å²	147.9	89%	0.885	76%	0.763	S	S	*	*			trans	-146.2	0	163	-141.9	79.8	0	0	0	109.5
1053	P	28	Very low	29.6	Very low	91 Å²	91	144.7 Å²	144.7	59%	0.591	75%	0.746	S	S	*	*				0	0	0	21.8	2.3	0	0	0	112
1054	D	26.8	Very low	29.9	Very low	157 Å²	157	140.8 Å²	140.8	84%	0.84	73%	0.725	S	S	*	*	S	Bend		0	62.5	0	-95.3	-7.7	0	0	0	110.2
1055	L	28.6	Very low	30	Very low	174 Å²	174	139.7 Å²	139.7	91%	0.911	73%	0.727	S	S	*	*			trans	-169.1	45.2	153.8	-141	88	0	0	0	109
1056	L	30.3	Very low	30.2	Very low	161 Å²	161	136.7 Å²	136.7	84%	0.843	71%	0.714	S	S	*	*			trans	-123.3	68	-175	-105	137.4	0	0	0	109.1
1057	L	28.4	Very low	30.5	Very low	156 Å²	156	133.5 Å²	133.5	82%	0.817	70%	0.701	S	S	*	*			trans	-41.3	102	162.1	-110	99.4	0	0	0	111.1	F1059	L1057-F1059 PolarHBondContact O-N 1.94Å; L1057-F1059 VanDerWaalsContact O-N 3.12Å
1058	P	32.5	Very low	30.2	Very low	69 Å²	69	133.8 Å²	133.8	45%	0.448	69%	0.693	S	S	.	*			trans	-41.8	0	-173.4	9.5	6.2	0	0	0	111.7	Q1060 H1061	P1058-Q1060 HydrophobicContact CB-CB 4.07Å; P1058-Q1060 PolarHBondContact O-N 3.19Å; P1058-H1061 PolarHBondContact O-N 2.77Å
1059	F	30	Very low	30.7	Very low	158 Å²	158	128.6 Å²	128.6	69%	0.693	67%	0.669	S	S	*	*	H	α-helix		0	0	0	-144.3	-98.5	0	0	0	111.4	L1057 L1063	L1057-F1059 PolarHBondContact O-N 1.94Å; L1057-F1059 VanDerWaalsContact O-N 3.12Å; F1059-L1063 HydrophobicContact CB-CD1 4.23Å; F1059-L1063 HydrophobicContact CD1-CD1 2.62Å; F1059-L1063 HydrophobicContact CD1-CG 3.68Å; F1059-L1063 HydrophobicContact CE1-CD1 3Å; F1059-L1063 HydrophobicContact CE1-CD2 4.17Å; F1059-L1063 HydrophobicContact CE1-CG 3.77Å; F1059-L1063 HydrophobicContact CG-CD1 3.69Å; F1059-L1063 HydrophobicContact CZ-CD1 4.26Å; F1059-L1063 WeakPolarHBondContact O-CB 3.5Å; F1059-L1063 WeakPolarHBondContact O-CD1 3.28Å; F1059-L1063 WeakPolarHBondContact O-CG 3.13Å; F1059-L1063 PolarHBondContact O-N 2.89Å
1060	Q	32.8	Very low	31	Very low	141 Å²	141	126.5 Å²	126.5	66%	0.659	65%	0.649	S	S	*	*	H	α-helix		0	0	0	-163.6	156.2	6.6	0	0	110.7	P1058 L1064	P1058-Q1060 HydrophobicContact CB-CB 4.07Å; P1058-Q1060 PolarHBondContact O-N 3.19Å; Q1060-L1064 VanDerWaalsContact C-CD1 3.4Å; Q1060-L1064 HydrophobicContact CG-CD1 3.95Å; Q1060-L1064 WeakPolarHBondContact O-CB 2.99Å; Q1060-L1064 WeakPolarHBondContact O-CD1 2.81Å; Q1060-L1064 WeakPolarHBondContact O-CG 2.96Å
1061	H	31.1	Very low	31	Very low	128 Å²	128	125.1 Å²	125.1	59%	0.593	64%	0.644	S	S	*	*	H	α-helix		0	0	0	-94.8	-76.9	0	0	0	110.8	P1058	P1058-H1061 PolarHBondContact O-N 2.77Å
1062	L	34.3	Very low	31.2	Very low	152 Å²	152	126.9 Å²	126.9	80%	0.796	64%	0.641	S	S	*	*	H	α-helix		0	0	0	-145.6	98.6	0	0	0	110.2
1063	L	32.4	Very low	31.7	Very low	84 Å²	84	120 Å²	120	44%	0.44	61%	0.605	S	S	.	*	S	Bend		0	0	0	-85.8	164.9	0	0	0	109.6	F1059 R1068	F1059-L1063 HydrophobicContact CB-CD1 4.23Å; F1059-L1063 HydrophobicContact CD1-CD1 2.62Å; F1059-L1063 HydrophobicContact CD1-CG 3.68Å; F1059-L1063 HydrophobicContact CE1-CD1 3Å; F1059-L1063 HydrophobicContact CE1-CD2 4.17Å; F1059-L1063 HydrophobicContact CE1-CG 3.77Å; F1059-L1063 HydrophobicContact CG-CD1 3.69Å; F1059-L1063 HydrophobicContact CZ-CD1 4.26Å; F1059-L1063 WeakPolarHBondContact O-CB 3.5Å; F1059-L1063 WeakPolarHBondContact O-CD1 3.28Å; F1059-L1063 WeakPolarHBondContact O-CG 3.13Å; F1059-L1063 PolarHBondContact O-N 2.89Å; L1063-R1068 WeakPolarHBondContact O-CG 3.1Å
1064	L	32.5	Very low	32.5	Very low	57 Å²	57	119.5 Å²	119.5	30%	0.298	59%	0.591	S	S	.	*	S	Bend		0	0	0	-97.5	139.9	0	0	0	110.2	Q1060 R1068	Q1060-L1064 VanDerWaalsContact C-CD1 3.4Å; Q1060-L1064 HydrophobicContact CG-CD1 3.95Å; Q1060-L1064 WeakPolarHBondContact O-CB 2.99Å; Q1060-L1064 WeakPolarHBondContact O-CD1 2.81Å; Q1060-L1064 WeakPolarHBondContact O-CG 2.96Å; L1064-R1068 VanDerWaalsContact CA-CZ 3.5Å; L1064-R1068 VanDerWaalsContact CD1-CZ 3.41Å; L1064-R1068 CovalentContact CD2-NH2 0.9Å; L1064-R1068 CovalentContact CG-NH2 1.18Å
1065	N	33.5	Very low	33.5	Very low	146 Å²	146	116.3 Å²	116.3	78%	0.781	58%	0.577	S	S	*	*	S	Bend		0	20.6	0	-75.9	-33.2	0	0	0	110.1
1066	F	34.1	Very low	34.5	Very low	151 Å²	151	109 Å²	109	66%	0.662	54%	0.539	S	S	*	.	S	Bend	trans	-139.3	77	174	-143.4	-97.2	0	0	0	108.6	R1068	F1066-R1068 PolarHBondContact O-N 3.02Å
1067	P	35.9	Very low	35.3	Very low	70 Å²	70	103.4 Å²	103.4	46%	0.455	52%	0.517	S	S	.	.			trans	-31.9	0	-147.6	2.9	8.4	0	0	0	111.7	V1069	P1067-V1069 PolarHBondContact O-N 3.31Å
1068	R	26.2	Very low	36.1	Very low	147 Å²	147	101.9 Å²	101.9	56%	0.555	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn		0	0	0	-84.8	-172.2	-176.1	-156.6	-0	111.6	L1063 L1064 F1066	L1063-R1068 WeakPolarHBondContact O-CG 3.1Å; L1064-R1068 VanDerWaalsContact CA-CZ 3.5Å; L1064-R1068 VanDerWaalsContact CD1-CZ 3.41Å; L1064-R1068 CovalentContact CD2-NH2 0.9Å; L1064-R1068 CovalentContact CG-NH2 1.18Å; F1066-R1068 PolarHBondContact O-N 3.02Å
1069	V	31.9	Very low	36.7	Very low	76 Å²	76	98.7 Å²	98.7	46%	0.461	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn		0	0	0	177.3	0	0	0	0	108.5	P1067 F1071 H1111	P1067-V1069 PolarHBondContact O-N 3.31Å; V1069-F1071 PolarHBondContact O-N 2.85Å; V1069-H1111 HydrophobicContact CG1-CB 4.07Å
1070	L	34	Very low	37.5	Very low	60 Å²	60	95.9 Å²	95.9	31%	0.314	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn		0	0	0	-97.1	158	0	0	0	109.6	M938 S941 H1073 L1110	M938-L1070 HydrophobicContact CE-CD1 2.09Å; M938-L1070 HydrophobicContact CE-CD2 4.12Å; M938-L1070 HydrophobicContact CE-CG 3.35Å; M938-L1070 HydrophobicContact CG-CD1 4.15Å; M938-L1070 HydrophobicContact SD-CD1 3.1Å; M938-L1070 WeakPolarHBondContact SD-CD1 3.01Å; S941-L1070 WeakPolarHBondContact OG-CD1 3.33Å; L1070-H1073 PolarHBondContact O-CE1 2.16Å; L1070-H1073 PolarHBondContact O-ND1 2.66Å; L1070-L1110 VanDerWaalsContact O-CD2 3.23Å; L1070-L1110 WeakPolarHBondContact O-CD2 3.48Å
1071	F	30.6	Very low	38.2	Very low	164 Å²	164	89.6 Å²	89.6	72%	0.719	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn		0	46.6	0	-82.5	-78	0	0	0	108.8	V1069 L1110	V1069-F1071 PolarHBondContact O-N 2.85Å; F1071-L1110 HydrophobicContact CD1-CD2 3.97Å; F1071-L1110 HydrophobicContact CE1-CD2 3.97Å
1072	H	33.1	Very low	39	Very low	153 Å²	153	85.8 Å²	85.8	71%	0.708	43%	0.431	S	S	*	.			trans	-81.3	0	161.2	-120.7	-71.3	0	0	0	111.1
1073	H	38.1	Very low	39.5	Very low	25 Å²	25	79.3 Å²	79.3	12%	0.116	40%	0.398	C	S	.	.				0	146.5	0	-70.2	89	0	0	0	109.2	L1070 L1109 L1110 H1111 Y1279	L1070-H1073 PolarHBondContact O-CE1 2.16Å; L1070-H1073 PolarHBondContact O-ND1 2.66Å; H1073-L1109 CarbonylContact C-O 3.45Å; H1073-L1109 WeakPolarHBondContact CA-O 2.06Å; H1073-L1109 HydrophobicContact CB-CB 4.34Å; H1073-L1109 CovalentContact CB-O 1.55Å; H1073-L1109 WeakPolarHBondContact CB-O 3.19Å; H1073-L1109 PolarHBondContact CD2-O 3.35Å; H1073-L1109 PolarHBondContact ND1-O 3.41Å; H1073-L1110 VanDerWaalsContact CB-CA 3.41Å; H1073-L1110 HydrophobicContact CB-CD2 4.28Å; H1073-L1110 WeakPolarHBondContact CD2-CA 3.46Å; H1073-L1110 PolarHBondContact CD2-N 3.04Å; H1073-L1110 PolarHBondContact CD2-O 3.13Å; H1073-L1110 WeakPolarHBondContact CE1-CA 3.28Å; H1073-L1110 VanDerWaalsContact CE1-CB 3.41Å; H1073-L1110 WeakPolarHBondContact CE1-CB 3.34Å; H1073-L1110 WeakPolarHBondContact ND1-CA 3.33Å; H1073-L1110 WeakPolarHBondContact NE2-CA 3.22Å; H1073-L1110 VanDerWaalsContact NE2-CB 3.35Å; H1073-L1110 WeakPolarHBondContact NE2-CB 3.24Å; H1073-L1110 PolarHBondContact NE2-N 3.2Å; H1073-L1110 PolarHBondContact NE2-O 3.41Å; H1073-H1111 WeakPolarHBondContact CD2-CA 3.39Å; H1073-H1111 PolarHBondContact CD2-N 2.86Å; H1073-H1111 WeakPolarHBondContact CE1-CA 3.04Å; H1073-H1111 WeakPolarHBondContact CE1-CB 3.36Å; H1073-H1111 PolarHBondContact CE1-N 3.4Å; H1073-H1111 PolarHBondContact ND1-N 2.3Å; H1073-H1111 VanDerWaalsContact NE2-C 3.32Å; H1073-H1111 WeakPolarHBondContact NE2-CA 3.49Å; H1073-H1111 WeakPolarHBondContact NE2-CB 3.16Å; H1073-H1111 CovalentContact NE2-N 1.1Å; H1073-H1111 PolarHBondContact NE2-N 3.12Å; H1073-Y1279 AromaticContact CD2-CE1 3.45Å; H1073-Y1279 VanDerWaalsContact CD2-CE1 3.45Å; H1073-Y1279 WeakPolarHBondContact CD2-CE1 3.45Å; H1073-Y1279 AromaticContact CD2-CZ 3.3Å; H1073-Y1279 PolarHBondContact CD2-OH 3.47Å; H1073-Y1279 PolarHBondContact CE1-OH 2.38Å; H1073-Y1279 AromaticContact NE2-CZ 3.69Å; H1073-Y1279 PolarHBondContact NE2-OH 3.43Å
1074	W	46	Very low	40.3	Very low	80 Å²	80	76.5 Å²	76.5	30%	0.303	38%	0.383	S	S	.	.			trans	-66.3	114.6	178.3	-67.9	51.6	0	0	0	110.5	L1109 N1275 W1276	W1074-L1109 HydrophobicContact CB-CB 4.29Å; W1074-L1109 HydrophobicContact CB-CD2 4.43Å; W1074-L1109 PolarHBondContact O-N 2.9Å; W1074-N1275 HydrophobicContact CD2-CB 4.32Å; W1074-N1275 HydrophobicContact CE3-CB 3.77Å; W1074-N1275 VanDerWaalsContact CH2-CA 3.46Å; W1074-N1275 HydrophobicContact CH2-CB 2.06Å; W1074-N1275 WeakPolarHBondContact CH2-ND2 2.96Å; W1074-N1275 HydrophobicContact CZ2-CB 2.97Å; W1074-N1275 HydrophobicContact CZ3-CB 2.61Å; W1074-N1275 WeakPolarHBondContact CZ3-ND2 2.93Å; W1074-W1276 VanDerWaalsContact C-CZ2 3.42Å; W1074-W1276 HydrophobicContact CB-CD2 4.16Å; W1074-W1276 HydrophobicContact CB-CG 4.43Å; W1074-W1276 HydrophobicContact CB-CZ2 3.51Å; W1074-W1276 AromaticContact CD2-CD1 3.57Å; W1074-W1276 HydrophobicContact CD2-CG 4.49Å; W1074-W1276 AromaticContact CD2-NE1 3.64Å; W1074-W1276 AromaticContact CE3-CD1 2.76Å; W1074-W1276 AromaticContact CE3-CG 3.93Å; W1074-W1276 HydrophobicContact CE3-CG 3.93Å; W1074-W1276 AromaticContact CE3-NE1 3.02Å; W1074-W1276 AromaticContact CG-NE1 3.71Å; W1074-W1276 AromaticContact CZ3-CD1 3.52Å; W1074-W1276 WeakPolarHBondContact O-CZ2 3.22Å
1075	V	46.2	Very low	40.6	Very low	90 Å²	90	78.1 Å²	78.1	55%	0.545	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	116.8	-179.6	178.4	0	0	0	0	108.5	L1106 I1108	V1075-L1106 HydrophobicContact CG1-CD1 3.22Å; V1075-L1106 HydrophobicContact CG1-CD2 4.32Å; V1075-L1106 HydrophobicContact CG1-CG 4.02Å; V1075-I1108 HydrophobicContact CG2-CG2 4.4Å
1076	V	50.1	Low	40.7	Very low	20 Å²	20	75.5 Å²	75.5	12%	0.121	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	112.4	170.9	179.7	0	0	0	0	109	H1078 A1079 L1106 A1107 F1267 W1276	V1076-H1078 PolarHBondContact O-N 3.42Å; V1076-A1079 HydrophobicContact CB-CB 4.33Å; V1076-A1079 HydrophobicContact CG1-CB 3.6Å; V1076-L1106 WeakPolarHBondContact O-CA 3.41Å; V1076-L1106 WeakPolarHBondContact O-CD1 1.19Å; V1076-A1107 PolarHBondContact N-O 3.06Å; V1076-A1107 PolarHBondContact O-N 3.08Å; V1076-A1107 VanDerWaalsContact O-N 3.15Å; V1076-F1267 HydrophobicContact CG2-CD1 4.36Å; V1076-F1267 HydrophobicContact CG2-CE1 3.62Å; V1076-F1267 HydrophobicContact CG2-CZ 4.33Å; V1076-W1276 HydrophobicContact CB-CZ2 4.21Å; V1076-W1276 HydrophobicContact CG2-CD2 4.48Å; V1076-W1276 HydrophobicContact CG2-CH2 3.94Å; V1076-W1276 HydrophobicContact CG2-CZ2 3.18Å
1077	A	46.6	Very low	40.7	Very low	45 Å²	45	72.6 Å²	72.6	37%	0.372	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	0	-174.5	0	0	0	0	0	110.4	L1106 Y1124	A1077-L1106 HydrophobicContact CB-CD1 4.21Å; A1077-Y1124 PolarHBondContact O-OH 2.84Å
1078	H	47	Very low	40.5	Very low	123 Å²	123	73.9 Å²	73.9	57%	0.569	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)		0	66.3	0	-64.8	-73	0	0	0	109.2	V1076	V1076-H1078 PolarHBondContact O-N 3.42Å
1079	A	45.1	Very low	40.8	Very low	2 Å²	2	73.6 Å²	73.6	2%	0.017	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	0	176.4	0	0	0	0	0	109.8	V1076 V1081 L1265	V1076-A1079 HydrophobicContact CB-CB 4.33Å; V1076-A1079 HydrophobicContact CG1-CB 3.6Å; A1079-V1081 HydrophobicContact CB-CG2 4.19Å; A1079-V1081 PolarHBondContact O-N 3.23Å; A1079-L1265 HydrophobicContact CB-CD2 4.08Å
1080	E	46.9	Very low	40.8	Very low	100 Å²	100	81.5 Å²	81.5	47%	0.467	42%	0.415	S	S	.	.				0	98.5	0	-94.9	-178.7	-178.1	0	0	110.9	R1102 L1266	E1080-R1102 IonicContact OE1-NE 3.43Å; E1080-L1266 HydrophobicContact CB-CD1 3.65Å
1081	V	47.1	Very low	41	Very low	9 Å²	9	83.7 Å²	83.7	6%	0.055	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	105.5	-178.6	179.8	0	0	0	0	109	A1079 V1083 M1105 L1116 I1263 R1264 L1265	A1079-V1081 HydrophobicContact CB-CG2 4.19Å; A1079-V1081 PolarHBondContact O-N 3.23Å; V1081-V1083 HydrophobicContact CG1-CG2 4.35Å; V1081-M1105 HydrophobicContact CB-SD 4.02Å; V1081-M1105 HydrophobicContact CG2-SD 4.37Å; V1081-L1116 HydrophobicContact CG1-CD1 4.4Å; V1081-L1116 HydrophobicContact CG2-CD2 4.4Å; V1081-I1263 HydrophobicContact CG1-CB 4.46Å; V1081-I1263 HydrophobicContact CG1-CG2 3.27Å; V1081-R1264 VanDerWaalsContact CA-O 3.31Å; V1081-R1264 WeakPolarHBondContact CA-O 3.42Å; V1081-L1265 HydrophobicContact CB-CD2 4.07Å; V1081-L1265 HydrophobicContact CG1-CD2 4.1Å; V1081-L1265 HydrophobicContact CG2-CD2 3.02Å; V1081-L1265 HydrophobicContact CG2-CG 4.49Å
1082	T	47.2	Very low	41.1	Very low	48 Å²	48	83.3 Å²	83.3	29%	0.294	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	112.8	172.9	50.4	0	0	0	0	109.6	R1264	T1082-R1264 PolarHBondContact N-O 2.96Å; T1082-R1264 PolarHBondContact O-N 2Å; T1082-R1264 VanDerWaalsContact O-N 3.13Å; T1082-R1264 VanDerWaalsContact OG1-CB 3.32Å; T1082-R1264 WeakPolarHBondContact OG1-CB 2.86Å
1083	V	45.9	Very low	41.3	Very low	16 Å²	16	85.6 Å²	85.6	10%	0.097	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	93.4	173.7	-178.4	0	0	0	0	109.2	V1081 I1099 L1229 V1261 L1262	V1081-V1083 HydrophobicContact CG1-CG2 4.35Å; V1083-I1099 HydrophobicContact CB-CD1 3.89Å; V1083-I1099 HydrophobicContact CG2-CD1 3.68Å; V1083-L1229 HydrophobicContact CB-CD1 4.39Å; V1083-L1229 HydrophobicContact CG1-CD1 3.57Å; V1083-V1261 HydrophobicContact CG1-CG1 3.8Å; V1083-L1262 WeakPolarHBondContact CA-O 3.36Å
1084	D	47.6	Very low	41.1	Very low	24 Å²	24	88.7 Å²	88.7	13%	0.128	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	0	-175.2	-92	-13.7	0	0	0	110	L1262 R1264	D1084-L1262 HydrophobicContact CB-CD2 4.3Å; D1084-L1262 WeakPolarHBondContact O-CB 2.99Å; D1084-R1264 IonicContact OD2-CZ 2.95Å; D1084-R1264 IonicContact OD2-NE 2.35Å; D1084-R1264 IonicContact OD2-NH1 2.97Å; D1084-R1264 PolarHBondContact OD2-NH1 2.58Å; D1084-R1264 IonicContact OD2-NH2 3.75Å
1085	K	39.7	Very low	40.5	Very low	91 Å²	91	90.4 Å²	90.4	40%	0.396	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)		0	0	0	-115.8	-177.9	179.5	179.9	0	109.5	T1087	K1085-T1087 HydrophobicContact CB-CG2 4.44Å; K1085-T1087 HydrophobicContact CD-CG2 3.72Å; K1085-T1087 HydrophobicContact CG-CG2 3.98Å
1086	L	35	Very low	39.9	Very low	92 Å²	92	92 Å²	92	48%	0.482	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)		0	0	0	-89.8	147.6	0	0	0	110.6	A1088 A1131	L1086-A1088 PolarHBondContact O-N 3.1Å; L1086-A1131 HydrophobicContact CD1-CB 3.09Å
1087	T	33.5	Very low	39	Very low	89 Å²	89	95.2 Å²	95.2	55%	0.546	50%	0.502	S	S	.	.				0	0	0	37.1	0	0	0	0	109.8	K1085	K1085-T1087 HydrophobicContact CB-CG2 4.44Å; K1085-T1087 HydrophobicContact CD-CG2 3.72Å; K1085-T1087 HydrophobicContact CG-CG2 3.98Å
1088	A	32.5	Very low	38.6	Very low	97 Å²	97	96.8 Å²	96.8	80%	0.802	50%	0.499	S	S	*	.				0	83.7	0	0	0	0	0	0	110.3	L1086	L1086-A1088 PolarHBondContact O-N 3.1Å
1089	N	31.9	Very low	38.2	Very low	142 Å²	142	93.1 Å²	93.1	76%	0.759	48%	0.484	S	S	*	.	S	Bend		144.3	0	129.4	173.8	0.5	0	0	0	109.9	S1091	N1089-S1091 PolarHBondContact O-N 3.41Å
1090	R	31.7	Very low	37.8	Very low	241 Å²	241	98.9 Å²	98.9	91%	0.909	52%	0.522	S	S	*	.	S	Bend		0	0	0	-96.5	-177.8	-174.8	-170.4	1	111.9
1091	S	39.4	Very low	37.6	Very low	106 Å²	106	101.4 Å²	101.4	74%	0.741	53%	0.534	S	S	*	.	S	Bend		0	0	0	51.8	0	0	0	0	109.2	N1089 K1093	N1089-S1091 PolarHBondContact O-N 3.41Å; S1091-K1093 PolarHBondContact O-N 1.66Å
1092	N	32.5	Very low	37.6	Very low	156 Å²	156	111.8 Å²	111.8	83%	0.834	57%	0.572	S	S	*	*				0	0	0	-107.2	-1.2	0	0	0	112.2
1093	K	36.7	Very low	37.9	Very low	201 Å²	201	111.6 Å²	111.6	87%	0.874	57%	0.571	S	S	*	*				0	0	0	-89	-171.9	-179	178.1	0	109.3	S1091 N1095	S1091-K1093 PolarHBondContact O-N 1.66Å; K1093-N1095 PolarHBondContact O-N 2.91Å
1094	V	33.8	Very low	38.5	Very low	90 Å²	90	114.9 Å²	114.9	55%	0.545	59%	0.585	S	S	.	*				0	0	0	-178.6	0	0	0	0	110.1
1095	N	33.1	Very low	39.2	Very low	116 Å²	116	113.9 Å²	113.9	62%	0.62	58%	0.58	S	S	*	*				0	97.7	0	-136.2	-14.5	0	0	0	110.7	K1093 D1097	K1093-N1095 PolarHBondContact O-N 2.91Å; N1095-D1097 PolarHBondContact O-N 2.91Å
1096	H	33.8	Very low	40.5	Very low	123 Å²	123	110.3 Å²	110.3	57%	0.569	57%	0.565	S	S	*	*			trans	-53	0	160.2	-87	-65.9	0	0	0	111.6
1097	D	32.7	Very low	42.2	Very low	88 Å²	88	106 Å²	106	47%	0.471	54%	0.542	S	S	.	.				0	0	0	-92.3	-12.2	0	0	0	109.1	N1095	N1095-D1097 PolarHBondContact O-N 2.91Å
1098	Y	36.8	Very low	43.8	Very low	78 Å²	78	102.8 Å²	102.8	31%	0.306	52%	0.522	S	S	.	.	S	Bend		0	0	0	-122	-93.1	0	0	0	109.2	V1132 E1134	Y1098-V1132 VanDerWaalsContact CD1-C 3.48Å; Y1098-V1132 VanDerWaalsContact CD1-CA 3.46Å; Y1098-V1132 HydrophobicContact CD1-CB 2.98Å; Y1098-V1132 HydrophobicContact CD1-CG1 4Å; Y1098-V1132 HydrophobicContact CD1-CG2 3.89Å; Y1098-V1132 WeakPolarHBondContact CD1-O 3.08Å; Y1098-V1132 HydrophobicContact CD2-CB 4.24Å; Y1098-V1132 HydrophobicContact CD2-CG1 4.46Å; Y1098-V1132 WeakPolarHBondContact CD2-O 3.31Å; Y1098-V1132 CovalentContact CE1-CB 1.77Å; Y1098-V1132 HydrophobicContact CE1-CB 1.77Å; Y1098-V1132 HydrophobicContact CE1-CG1 2.65Å; Y1098-V1132 HydrophobicContact CE1-CG2 2.81Å; Y1098-V1132 WeakPolarHBondContact CE1-O 3.47Å; Y1098-V1132 VanDerWaalsContact CE2-C 3.43Å; Y1098-V1132 HydrophobicContact CE2-CB 3.48Å; Y1098-V1132 VanDerWaalsContact CE2-CB 3.48Å; Y1098-V1132 HydrophobicContact CE2-CG1 3.28Å; Y1098-V1132 WeakPolarHBondContact CE2-O 3.38Å; Y1098-V1132 HydrophobicContact CG-CB 4.04Å; Y1098-V1132 VanDerWaalsContact CZ-CG2 3.48Å; Y1098-V1132 VanDerWaalsContact OH-CA 3.32Å; Y1098-V1132 WeakPolarHBondContact OH-CA 3.48Å; Y1098-V1132 WeakPolarHBondContact OH-CB 3Å; Y1098-V1132 CovalentContact OH-CG1 1.19Å; Y1098-V1132 WeakPolarHBondContact OH-CG1 3.27Å; Y1098-V1132 VanDerWaalsContact OH-CG2 3.29Å; Y1098-V1132 WeakPolarHBondContact OH-CG2 2.99Å; Y1098-E1134 HydrophobicContact CD2-CB 4.22Å; Y1098-E1134 HydrophobicContact CD2-CG 3.63Å; Y1098-E1134 HydrophobicContact CE2-CB 3.79Å; Y1098-E1134 HydrophobicContact CE2-CG 3.08Å; Y1098-E1134 VanDerWaalsContact CE2-N 3.28Å
1099	I	38.3	Very low	45.6	Very low	47 Å²	47	98.1 Å²	98.1	24%	0.241	48%	0.483	C	S	.	.				0	0	0	-67.9	174.5	0	0	0	108	V1083 F1129	V1083-I1099 HydrophobicContact CB-CD1 3.89Å; V1083-I1099 HydrophobicContact CG2-CD1 3.68Å; I1099-F1129 HydrophobicContact CD1-CD1 4.48Å
1100	C	38.6	Very low	47.3	Very low	122 Å²	122	92.1 Å²	92.1	82%	0.824	45%	0.451	S	S	*	.				0	0	0	-117.4	0	0	0	0	110.6	R1102	C1100-R1102 PolarHBondContact O-N 3.26Å
1101	E	41.4	Very low	48.8	Very low	154 Å²	154	84 Å²	84	72%	0.72	42%	0.423	S	S	*	.	S	Bend		0	93.9	0	-92.1	179.8	-178.6	0	0	110.1	T1103	E1101-T1103 HydrophobicContact CB-CG2 4.25Å; E1101-T1103 PolarHBondContact O-N 3.08Å; E1101-T1103 PolarHBondContact O-OG1 2.85Å
1102	R	47	Very low	50.2	Low	227 Å²	227	82.2 Å²	82.2	86%	0.857	41%	0.405	S	S	*	.			trans	-25.2	0	167.5	-93	-177.4	-179.3	160.2	0.1	111.7	E1080 C1100	E1080-R1102 IonicContact OE1-NE 3.43Å; C1100-R1102 PolarHBondContact O-N 3.26Å
1103	T	52.8	Low	52.1	Low	44 Å²	44	75.7 Å²	75.7	27%	0.27	37%	0.373	S	S	.	.				0	112.4	0	44.4	0	0	0	0	108.9	E1101 M1105 V1118	E1101-T1103 HydrophobicContact CB-CG2 4.25Å; E1101-T1103 PolarHBondContact O-N 3.08Å; E1101-T1103 PolarHBondContact O-OG1 2.85Å; T1103-M1105 PolarHBondContact O-N 3.15Å; T1103-M1105 VanDerWaalsContact O-N 3.16Å; T1103-V1118 HydrophobicContact CG2-CG1 4.25Å
1104	E	59.3	Low	54	Low	85 Å²	85	66.1 Å²	66.1	40%	0.397	33%	0.331	S	S	.	.			trans	-50.8	117.1	173.5	-68.9	-177.3	172.6	0	0	111.1	K1119	E1104-K1119 HydrophobicContact CB-CB 3.55Å; E1104-K1119 HydrophobicContact CB-CD 3.43Å; E1104-K1119 VanDerWaalsContact CB-CD 3.43Å; E1104-K1119 HydrophobicContact CB-CG 4.16Å; E1104-K1119 VanDerWaalsContact CD-NZ 3.33Å; E1104-K1119 HydrophobicContact CG-CD 3.98Å; E1104-K1119 WeakPolarHBondContact O-CA 3.12Å; E1104-K1119 WeakPolarHBondContact O-CB 3.08Å; E1104-K1119 PolarHBondContact O-N 3.34Å; E1104-K1119 IonicContact OE1-NZ 3.66Å; E1104-K1119 WeakPolarHBondContact OE2-CD 3.09Å; E1104-K1119 WeakPolarHBondContact OE2-CE 3.48Å; E1104-K1119 IonicContact OE2-NZ 2.32Å; E1104-K1119 PolarHBondContact OE2-NZ 2.86Å
1105	M	63	Low	55.9	Low	2 Å²	2	63.1 Å²	63.1	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	142.1	-177.2	-70.5	-166.4	108.2	0	0	109.6	V1081 T1103 L1116 M1117 V1118 F1129	V1081-M1105 HydrophobicContact CB-SD 4.02Å; V1081-M1105 HydrophobicContact CG2-SD 4.37Å; T1103-M1105 PolarHBondContact O-N 3.15Å; T1103-M1105 VanDerWaalsContact O-N 3.16Å; M1105-L1116 HydrophobicContact CE-CB 4.22Å; M1105-M1117 CarbonylContact C-O 3.5Å; M1105-M1117 VanDerWaalsContact C-O 3.26Å; M1105-M1117 WeakPolarHBondContact CA-O 3.16Å; M1105-V1118 HydrophobicContact CE-CB 4.47Å; M1105-V1118 HydrophobicContact CE-CG2 3.22Å; M1105-V1118 HydrophobicContact CG-CG2 4.46Å; M1105-F1129 HydrophobicContact CE-CD1 3.34Å; M1105-F1129 HydrophobicContact CE-CE1 2.04Å; M1105-F1129 HydrophobicContact CE-CE2 3.83Å; M1105-F1129 HydrophobicContact CE-CG 4.46Å; M1105-F1129 HydrophobicContact CE-CZ 2.43Å; M1105-F1129 HydrophobicContact SD-CE1 3.49Å; M1105-F1129 WeakPolarHBondContact SD-CE1 3.41Å; M1105-F1129 HydrophobicContact SD-CZ 3.95Å
1106	L	66	Low	57.8	Low	17 Å²	17	57.6 Å²	57.6	9%	0.089	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	114.3	171.2	179.2	69.2	0	0	0	109.3	V1075 V1076 A1077 I1108 L1116 M1117 Y1124	V1075-L1106 HydrophobicContact CG1-CD1 3.22Å; V1075-L1106 HydrophobicContact CG1-CD2 4.32Å; V1075-L1106 HydrophobicContact CG1-CG 4.02Å; V1076-L1106 WeakPolarHBondContact O-CA 3.41Å; V1076-L1106 WeakPolarHBondContact O-CD1 1.19Å; A1077-L1106 HydrophobicContact CB-CD1 4.21Å; L1106-I1108 HydrophobicContact CD2-CD1 3.89Å; L1106-I1108 HydrophobicContact CD2-CG1 4.04Å; L1106-I1108 HydrophobicContact CG-CD1 4.36Å; L1106-I1108 HydrophobicContact CG-CG1 3.96Å; L1106-L1116 CarbonylContact O-C 2.81Å; L1106-L1116 WeakPolarHBondContact O-CA 3.29Å; L1106-M1117 HydrophobicContact CB-CB 3.99Å; L1106-M1117 HydrophobicContact CD2-SD 4.01Å; L1106-M1117 PolarHBondContact N-O 3.42Å; L1106-M1117 PolarHBondContact O-N 3.42Å; L1106-Y1124 HydrophobicContact CB-CD1 3.49Å; L1106-Y1124 VanDerWaalsContact CB-CD1 3.49Å; L1106-Y1124 HydrophobicContact CB-CE1 3.55Å; L1106-Y1124 HydrophobicContact CB-CG 4.16Å; L1106-Y1124 HydrophobicContact CD2-CG 4.46Å
1107	A	70.3	Confident	59.5	Low	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	125.2	175.6	0	0	0	0	0	110.2	V1076 L1114 I1115 L1116 L1265 W1276	V1076-A1107 PolarHBondContact N-O 3.06Å; V1076-A1107 PolarHBondContact O-N 3.08Å; V1076-A1107 VanDerWaalsContact O-N 3.15Å; A1107-L1114 HydrophobicContact CB-CD1 4.5Å; A1107-I1115 CarbonylContact C-O 3.57Å; A1107-I1115 VanDerWaalsContact CA-O 3.31Å; A1107-I1115 WeakPolarHBondContact CA-O 3.32Å; A1107-L1116 HydrophobicContact CB-CD2 3.69Å; A1107-L1265 HydrophobicContact CB-CD2 4.46Å; A1107-W1276 HydrophobicContact CB-CH2 4.08Å
1108	I	68.7	Low	61.2	Low	22 Å²	22	49.4 Å²	49.4	11%	0.113	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	113.4	-178.4	-59.6	172.7	0	0	0	107.7	V1075 L1106 L1110 I1115 M1117	V1075-I1108 HydrophobicContact CG2-CG2 4.4Å; L1106-I1108 HydrophobicContact CD2-CD1 3.89Å; L1106-I1108 HydrophobicContact CD2-CG1 4.04Å; L1106-I1108 HydrophobicContact CG-CD1 4.36Å; L1106-I1108 HydrophobicContact CG-CG1 3.96Å; I1108-L1110 HydrophobicContact CG2-CD2 3.88Å; I1108-L1110 HydrophobicContact CG2-CG 4.33Å; I1108-I1115 HydrophobicContact CB-CB 4.07Å; I1108-I1115 PolarHBondContact N-O 2.85Å; I1108-I1115 PolarHBondContact O-N 2.96Å; I1108-M1117 HydrophobicContact CD1-CG 4.39Å; I1108-M1117 HydrophobicContact CD1-SD 3.6Å; I1108-M1117 VanDerWaalsContact CD1-SD 3.6Å
1109	L	68.8	Low	62.7	Low	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	113.2	178	-176.6	67.7	0	0	0	109.4	H1073 W1074 L1114 L1235 W1276 Y1279 I1280	H1073-L1109 CarbonylContact C-O 3.45Å; H1073-L1109 WeakPolarHBondContact CA-O 2.06Å; H1073-L1109 HydrophobicContact CB-CB 4.34Å; H1073-L1109 CovalentContact CB-O 1.55Å; H1073-L1109 WeakPolarHBondContact CB-O 3.19Å; H1073-L1109 PolarHBondContact CD2-O 3.35Å; H1073-L1109 PolarHBondContact ND1-O 3.41Å; W1074-L1109 HydrophobicContact CB-CB 4.29Å; W1074-L1109 HydrophobicContact CB-CD2 4.43Å; W1074-L1109 PolarHBondContact O-N 2.9Å; L1109-L1114 HydrophobicContact CB-CD1 4.43Å; L1109-L1114 HydrophobicContact CD1-CD1 4.08Å; L1109-L1235 HydrophobicContact CD1-CD1 3.68Å; L1109-L1235 HydrophobicContact CD1-CD2 4.14Å; L1109-L1235 HydrophobicContact CD1-CG 4.42Å; L1109-W1276 HydrophobicContact CB-CE3 4.13Å; L1109-W1276 HydrophobicContact CB-CH2 3.59Å; L1109-W1276 HydrophobicContact CB-CZ2 4.08Å; L1109-W1276 HydrophobicContact CB-CZ3 3.61Å; L1109-W1276 HydrophobicContact CD1-CZ3 4.33Å; L1109-W1276 HydrophobicContact CD2-CD2 4.19Å; L1109-W1276 HydrophobicContact CD2-CE3 3.99Å; L1109-W1276 HydrophobicContact CD2-CZ3 4.33Å; L1109-W1276 HydrophobicContact CG-CE3 4.47Å; L1109-W1276 HydrophobicContact CG-CZ3 4.32Å; L1109-Y1279 HydrophobicContact CD1-CD1 4.03Å; L1109-Y1279 HydrophobicContact CD1-CE1 4.09Å; L1109-Y1279 HydrophobicContact CD2-CD1 2.63Å; L1109-Y1279 HydrophobicContact CD2-CE1 3.24Å; L1109-Y1279 HydrophobicContact CD2-CG 3.43Å; L1109-Y1279 VanDerWaalsContact CD2-CG 3.43Å; L1109-Y1279 HydrophobicContact CG-CD1 3.3Å; L1109-Y1279 HydrophobicContact CG-CE1 3.29Å; L1109-Y1279 HydrophobicContact CG-CG 4.43Å; L1109-I1280 HydrophobicContact CD1-CD1 4.29Å; L1109-I1280 HydrophobicContact CD1-CG1 3.74Å; L1109-I1280 HydrophobicContact CD2-CG1 4.07Å
1110	L	67.9	Low	63.9	Low	15 Å²	15	50.8 Å²	50.8	8%	0.079	25%	0.253	C	S	.	.			trans	-96.3	169.4	177.5	-58.5	173.8	0	0	0	109.4	L1070 F1071 H1073 I1108 N1112 A1113 I1115 Y1279	L1070-L1110 VanDerWaalsContact O-CD2 3.23Å; L1070-L1110 WeakPolarHBondContact O-CD2 3.48Å; F1071-L1110 HydrophobicContact CD1-CD2 3.97Å; F1071-L1110 HydrophobicContact CE1-CD2 3.97Å; H1073-L1110 VanDerWaalsContact CB-CA 3.41Å; H1073-L1110 HydrophobicContact CB-CD2 4.28Å; H1073-L1110 WeakPolarHBondContact CD2-CA 3.46Å; H1073-L1110 PolarHBondContact CD2-N 3.04Å; H1073-L1110 PolarHBondContact CD2-O 3.13Å; H1073-L1110 WeakPolarHBondContact CE1-CA 3.28Å; H1073-L1110 VanDerWaalsContact CE1-CB 3.41Å; H1073-L1110 WeakPolarHBondContact CE1-CB 3.34Å; H1073-L1110 WeakPolarHBondContact ND1-CA 3.33Å; H1073-L1110 WeakPolarHBondContact NE2-CA 3.22Å; H1073-L1110 VanDerWaalsContact NE2-CB 3.35Å; H1073-L1110 WeakPolarHBondContact NE2-CB 3.24Å; H1073-L1110 PolarHBondContact NE2-N 3.2Å; H1073-L1110 PolarHBondContact NE2-O 3.41Å; I1108-L1110 HydrophobicContact CG2-CD2 3.88Å; I1108-L1110 HydrophobicContact CG2-CG 4.33Å; L1110-N1112 PolarHBondContact O-N 2.96Å; L1110-A1113 WeakPolarHBondContact CA-O 3.09Å; L1110-A1113 HydrophobicContact CB-CB 4.39Å; L1110-A1113 WeakPolarHBondContact CB-O 3.38Å; L1110-A1113 HydrophobicContact CD1-CB 4.24Å; L1110-A1113 PolarHBondContact N-O 3.42Å; L1110-I1115 HydrophobicContact CD1-CD1 3.05Å; L1110-I1115 HydrophobicContact CD1-CG1 3.72Å; L1110-I1115 HydrophobicContact CG-CD1 3.9Å; L1110-I1115 HydrophobicContact CG-CG1 4.34Å; L1110-Y1279 VanDerWaalsContact O-CE1 3.25Å; L1110-Y1279 WeakPolarHBondContact O-CE1 3.4Å; L1110-Y1279 PolarHBondContact O-OH 3.44Å
1111	H	63.8	Low	65.5	Low	71 Å²	71	47.8 Å²	47.8	33%	0.329	24%	0.242	S	C	.	.	S	Bend	trans	-55.5	0	-176.8	-170.3	-87.9	0	0	0	109.7	V1069 H1073 Y1279 N1283	V1069-H1111 HydrophobicContact CG1-CB 4.07Å; H1073-H1111 WeakPolarHBondContact CD2-CA 3.39Å; H1073-H1111 PolarHBondContact CD2-N 2.86Å; H1073-H1111 WeakPolarHBondContact CE1-CA 3.04Å; H1073-H1111 WeakPolarHBondContact CE1-CB 3.36Å; H1073-H1111 PolarHBondContact CE1-N 3.4Å; H1073-H1111 PolarHBondContact ND1-N 2.3Å; H1073-H1111 VanDerWaalsContact NE2-C 3.32Å; H1073-H1111 WeakPolarHBondContact NE2-CA 3.49Å; H1073-H1111 WeakPolarHBondContact NE2-CB 3.16Å; H1073-H1111 CovalentContact NE2-N 1.1Å; H1073-H1111 PolarHBondContact NE2-N 3.12Å; H1111-Y1279 WeakPolarHBondContact CA-OH 3.42Å; H1111-Y1279 PolarHBondContact N-OH 2.68Å; H1111-Y1279 VanDerWaalsContact N-OH 3.15Å; H1111-N1283 VanDerWaalsContact O-CB 3.3Å; H1111-N1283 WeakPolarHBondContact O-CB 3.43Å; H1111-N1283 PolarHBondContact O-ND2 2.8Å; H1111-N1283 VanDerWaalsContact O-ND2 3.08Å
1112	N	69.3	Low	66.5	Low	68 Å²	68	48.5 Å²	48.5	36%	0.364	25%	0.246	S	C	.	.	S	Bend		0	14	0	-60.6	-13.9	0	0	0	110.2	L1110 L1235	L1110-N1112 PolarHBondContact O-N 2.96Å; N1112-L1235 PolarHBondContact O-N 3.43Å
1113	A	71.2	Confident	66.4	Low	19 Å²	19	43.1 Å²	43.1	16%	0.157	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	147.6	-176.7	0	0	0	0	0	109	L1110 I1232 F1233	L1110-A1113 WeakPolarHBondContact CA-O 3.09Å; L1110-A1113 HydrophobicContact CB-CB 4.39Å; L1110-A1113 WeakPolarHBondContact CB-O 3.38Å; L1110-A1113 HydrophobicContact CD1-CB 4.24Å; L1110-A1113 PolarHBondContact N-O 3.42Å; A1113-I1232 HydrophobicContact CB-CG2 4.14Å; A1113-F1233 CarbonylContact C-O 3.59Å; A1113-F1233 VanDerWaalsContact C-O 3.28Å; A1113-F1233 WeakPolarHBondContact CA-O 2.7Å
1114	L	77.2	Confident	66.8	Low	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	0	168.7	177.3	69.5	0	0	0	110.7	A1107 L1109 L1116 I1232 F1233 L1235 I1254 F1256 I1263 W1276	A1107-L1114 HydrophobicContact CB-CD1 4.5Å; L1109-L1114 HydrophobicContact CB-CD1 4.43Å; L1109-L1114 HydrophobicContact CD1-CD1 4.08Å; L1114-L1116 HydrophobicContact CG-CD2 4.44Å; L1114-I1232 CarbonylContact O-C 3.45Å; L1114-I1232 VanDerWaalsContact O-CA 3.31Å; L1114-I1232 WeakPolarHBondContact O-CA 3.48Å; L1114-F1233 HydrophobicContact CB-CB 4.15Å; L1114-F1233 PolarHBondContact N-O 3.27Å; L1114-F1233 PolarHBondContact O-N 3.31Å; L1114-L1235 HydrophobicContact CB-CD2 4.28Å; L1114-I1254 HydrophobicContact CD2-CD1 4.06Å; L1114-F1256 HydrophobicContact CB-CZ 4.22Å; L1114-F1256 HydrophobicContact CD2-CE2 4.24Å; L1114-F1256 HydrophobicContact CD2-CZ 3.83Å; L1114-I1263 HydrophobicContact CD2-CD1 3.94Å; L1114-W1276 HydrophobicContact CD1-CH2 4.24Å; L1114-W1276 HydrophobicContact CD1-CZ3 3.68Å
1115	I	74	Confident	66.6	Low	27 Å²	27	40.8 Å²	40.8	14%	0.138	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)		0	130.4	0	-60.8	174.7	0	0	0	109.6	A1107 I1108 L1110 M1117 L1126 P1231 I1232	A1107-I1115 CarbonylContact C-O 3.57Å; A1107-I1115 VanDerWaalsContact CA-O 3.31Å; A1107-I1115 WeakPolarHBondContact CA-O 3.32Å; I1108-I1115 HydrophobicContact CB-CB 4.07Å; I1108-I1115 PolarHBondContact N-O 2.85Å; I1108-I1115 PolarHBondContact O-N 2.96Å; L1110-I1115 HydrophobicContact CD1-CD1 3.05Å; L1110-I1115 HydrophobicContact CD1-CG1 3.72Å; L1110-I1115 HydrophobicContact CG-CD1 3.9Å; L1110-I1115 HydrophobicContact CG-CG1 4.34Å; I1115-M1117 HydrophobicContact CG2-CG 4.09Å; I1115-L1126 HydrophobicContact CG2-CD1 3.61Å; I1115-P1231 CarbonylContact C-O 3.51Å; I1115-P1231 WeakPolarHBondContact CA-O 3.2Å; I1115-I1232 HydrophobicContact CG1-CG1 4.08Å; I1115-I1232 HydrophobicContact CG1-CG2 4.12Å; I1115-I1232 HydrophobicContact CG2-CG1 4.27Å
1116	L	72.5	Confident	66.6	Low	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.1	176.5	-60.2	176.5	0	0	0	109.2	V1081 M1105 L1106 A1107 L1114 F1129 P1231 F1233 I1263	V1081-L1116 HydrophobicContact CG1-CD1 4.4Å; V1081-L1116 HydrophobicContact CG2-CD2 4.4Å; M1105-L1116 HydrophobicContact CE-CB 4.22Å; L1106-L1116 CarbonylContact O-C 2.81Å; L1106-L1116 WeakPolarHBondContact O-CA 3.29Å; A1107-L1116 HydrophobicContact CB-CD2 3.69Å; L1114-L1116 HydrophobicContact CG-CD2 4.44Å; L1116-F1129 HydrophobicContact CB-CE2 3.79Å; L1116-F1129 HydrophobicContact CB-CZ 3.46Å; L1116-F1129 VanDerWaalsContact CB-CZ 3.46Å; L1116-F1129 HydrophobicContact CD1-CE2 3.86Å; L1116-F1129 HydrophobicContact CD1-CZ 3.86Å; L1116-F1129 HydrophobicContact CG-CE2 4.46Å; L1116-F1129 HydrophobicContact CG-CZ 4.33Å; L1116-P1231 PolarHBondContact N-O 3Å; L1116-P1231 WeakPolarHBondContact O-CB 2.32Å; L1116-F1233 HydrophobicContact CD1-CD2 4.14Å; L1116-F1233 HydrophobicContact CD1-CE2 3.44Å; L1116-F1233 VanDerWaalsContact CD1-CE2 3.44Å; L1116-F1233 HydrophobicContact CD1-CZ 4.35Å; L1116-F1233 HydrophobicContact CG-CD2 4.37Å; L1116-F1233 HydrophobicContact CG-CE2 4.08Å; L1116-I1263 HydrophobicContact CD1-CD1 3.98Å
1117	M	69.2	Low	66.2	Low	24 Å²	24	50.2 Å²	50.2	12%	0.118	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	0	178	-62.5	-178.5	73.4	0	0	110.6	M1105 L1106 I1108 I1115 Y1124 L1126	M1105-M1117 CarbonylContact C-O 3.5Å; M1105-M1117 VanDerWaalsContact C-O 3.26Å; M1105-M1117 WeakPolarHBondContact CA-O 3.16Å; L1106-M1117 HydrophobicContact CB-CB 3.99Å; L1106-M1117 HydrophobicContact CD2-SD 4.01Å; L1106-M1117 PolarHBondContact N-O 3.42Å; L1106-M1117 PolarHBondContact O-N 3.42Å; I1108-M1117 HydrophobicContact CD1-CG 4.39Å; I1108-M1117 HydrophobicContact CD1-SD 3.6Å; I1108-M1117 VanDerWaalsContact CD1-SD 3.6Å; I1115-M1117 HydrophobicContact CG2-CG 4.09Å; M1117-Y1124 HydrophobicContact CB-CD1 4.28Å; M1117-Y1124 VanDerWaalsContact CE-O 3.27Å; M1117-Y1124 WeakPolarHBondContact CE-O 3.4Å; M1117-L1126 HydrophobicContact CG-CD1 4.4Å
1118	V	69.1	Low	65.6	Low	15 Å²	15	52.8 Å²	52.8	9%	0.091	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)		0	128.3	0	178.2	0	0	0	0	109	T1103 M1105 D1120 Y1124 I1125 R1127 F1129	T1103-V1118 HydrophobicContact CG2-CG1 4.25Å; M1105-V1118 HydrophobicContact CE-CB 4.47Å; M1105-V1118 HydrophobicContact CE-CG2 3.22Å; M1105-V1118 HydrophobicContact CG-CG2 4.46Å; V1118-D1120 PolarHBondContact O-N 3.04Å; V1118-D1120 VanDerWaalsContact O-N 3.14Å; V1118-Y1124 CarbonylContact O-C 2.61Å; V1118-Y1124 WeakPolarHBondContact O-CA 3.19Å; V1118-I1125 PolarHBondContact N-O 3.19Å; V1118-I1125 WeakPolarHBondContact O-CG1 3.45Å; V1118-I1125 PolarHBondContact O-N 2.87Å; V1118-R1127 HydrophobicContact CB-CB 4.23Å; V1118-R1127 HydrophobicContact CG2-CB 4.2Å; V1118-F1129 HydrophobicContact CG2-CD1 4.28Å; V1118-F1129 HydrophobicContact CG2-CE1 3.57Å; V1118-F1129 HydrophobicContact CG2-CZ 4.07Å
1119	K	68.4	Low	65.1	Low	72 Å²	72	52.5 Å²	52.5	31%	0.313	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	0	176.2	-168.6	175.9	-179.1	-179.5	0	111.2	E1104 G1121 R1123 Y1124	E1104-K1119 HydrophobicContact CB-CB 3.55Å; E1104-K1119 HydrophobicContact CB-CD 3.43Å; E1104-K1119 VanDerWaalsContact CB-CD 3.43Å; E1104-K1119 HydrophobicContact CB-CG 4.16Å; E1104-K1119 VanDerWaalsContact CD-NZ 3.33Å; E1104-K1119 HydrophobicContact CG-CD 3.98Å; E1104-K1119 WeakPolarHBondContact O-CA 3.12Å; E1104-K1119 WeakPolarHBondContact O-CB 3.08Å; E1104-K1119 PolarHBondContact O-N 3.34Å; E1104-K1119 IonicContact OE1-NZ 3.66Å; E1104-K1119 WeakPolarHBondContact OE2-CD 3.09Å; E1104-K1119 WeakPolarHBondContact OE2-CE 3.48Å; E1104-K1119 IonicContact OE2-NZ 2.32Å; E1104-K1119 PolarHBondContact OE2-NZ 2.86Å; K1119-G1121 WeakPolarHBondContact CE-O 2.65Å; K1119-R1123 CarbonylContact C-O 3.58Å; K1119-R1123 WeakPolarHBondContact CA-O 3.14Å; K1119-Y1124 HydrophobicContact CB-CD1 4.04Å; K1119-Y1124 HydrophobicContact CB-CE1 3.83Å; K1119-Y1124 HydrophobicContact CD-CE1 4.49Å; K1119-Y1124 HydrophobicContact CG-CE1 4.26Å
1120	D	63.3	Low	64.1	Low	82 Å²	82	58.5 Å²	58.5	44%	0.439	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)		0	0	0	-169.3	10.7	0	0	0	110.1	V1118 E1122 R1123 I1125 R1127	V1118-D1120 PolarHBondContact O-N 3.04Å; V1118-D1120 VanDerWaalsContact O-N 3.14Å; D1120-E1122 PolarHBondContact O-N 2.82Å; D1120-R1123 CarbonylContact C-O 3.53Å; D1120-R1123 PolarHBondContact N-O 3.43Å; D1120-R1123 PolarHBondContact O-N 2.96Å; D1120-I1125 HydrophobicContact CB-CD1 3.12Å; D1120-I1125 HydrophobicContact CB-CG1 3.45Å; D1120-I1125 VanDerWaalsContact CB-CG1 3.45Å; D1120-I1125 HydrophobicContact CB-CG2 4.28Å; D1120-I1125 VanDerWaalsContact OD2-CD1 3.29Å; D1120-I1125 WeakPolarHBondContact OD2-CD1 3.5Å; D1120-R1127 IonicContact OD2-NH2 3.14Å; D1120-R1127 PolarHBondContact OD2-NH2 3.46Å
1121	G	71.5	Confident	63	Low	59 Å²	59	58.5 Å²	58.5	61%	0.608	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn		0	-126.2	0	0	0	0	0	0	110.9	K1119 R1123	K1119-G1121 WeakPolarHBondContact CE-O 2.65Å; G1121-R1123 VanDerWaalsContact C-N 3.32Å
1122	E	62.6	Low	61.9	Low	170 Å²	170	57.8 Å²	57.8	79%	0.794	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	7.4	-179.5	-69.2	-167.7	167.1	0	0	110.1	D1120	D1120-E1122 PolarHBondContact O-N 2.82Å
1123	R	46	Very low	60.2	Low	114 Å²	114	64 Å²	64	43%	0.43	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.3	-176.5	-68.4	-174.3	-154.8	-149.2	1	109.8	N1034 K1119 D1120 G1121 I1125	N1034-R1123 HydrophobicContact CB-CB 3.96Å; N1034-R1123 HydrophobicContact CB-CG 3.22Å; N1034-R1123 VanDerWaalsContact CG-CA 3.43Å; N1034-R1123 WeakPolarHBondContact ND2-CB 3.42Å; N1034-R1123 WeakPolarHBondContact ND2-CD 3.16Å; N1034-R1123 WeakPolarHBondContact ND2-CG 3.35Å; N1034-R1123 WeakPolarHBondContact OD1-CA 3.38Å; N1034-R1123 WeakPolarHBondContact OD1-CB 3.45Å; N1034-R1123 WeakPolarHBondContact OD1-CG 3.06Å; K1119-R1123 CarbonylContact C-O 3.58Å; K1119-R1123 WeakPolarHBondContact CA-O 3.14Å; D1120-R1123 CarbonylContact C-O 3.53Å; D1120-R1123 PolarHBondContact N-O 3.43Å; D1120-R1123 PolarHBondContact O-N 2.96Å; G1121-R1123 VanDerWaalsContact C-N 3.32Å; R1123-I1125 HydrophobicContact CB-CG2 4.34Å
1124	Y	59.7	Low	58.3	Low	34 Å²	34	67.7 Å²	67.7	13%	0.133	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117.1	170.8	-75	-86.1	0	0	0	110	N1034 A1077 L1106 M1117 V1118 K1119	N1034-Y1124 PolarHBondContact OD1-N 3.18Å; A1077-Y1124 PolarHBondContact O-OH 2.84Å; L1106-Y1124 HydrophobicContact CB-CD1 3.49Å; L1106-Y1124 VanDerWaalsContact CB-CD1 3.49Å; L1106-Y1124 HydrophobicContact CB-CE1 3.55Å; L1106-Y1124 HydrophobicContact CB-CG 4.16Å; L1106-Y1124 HydrophobicContact CD2-CG 4.46Å; M1117-Y1124 HydrophobicContact CB-CD1 4.28Å; M1117-Y1124 VanDerWaalsContact CE-O 3.27Å; M1117-Y1124 WeakPolarHBondContact CE-O 3.4Å; V1118-Y1124 CarbonylContact O-C 2.61Å; V1118-Y1124 WeakPolarHBondContact O-CA 3.19Å; K1119-Y1124 HydrophobicContact CB-CD1 4.04Å; K1119-Y1124 HydrophobicContact CB-CE1 3.83Å; K1119-Y1124 HydrophobicContact CD-CE1 4.49Å; K1119-Y1124 HydrophobicContact CG-CE1 4.26Å
1125	I	55.2	Low	56.1	Low	46 Å²	46	76 Å²	76	24%	0.236	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	139.4	-175.8	53.5	169.1	0	0	0	107.6	V1118 D1120 R1123 R1127	V1118-I1125 PolarHBondContact N-O 3.19Å; V1118-I1125 WeakPolarHBondContact O-CG1 3.45Å; V1118-I1125 PolarHBondContact O-N 2.87Å; D1120-I1125 HydrophobicContact CB-CD1 3.12Å; D1120-I1125 HydrophobicContact CB-CG1 3.45Å; D1120-I1125 VanDerWaalsContact CB-CG1 3.45Å; D1120-I1125 HydrophobicContact CB-CG2 4.28Å; D1120-I1125 VanDerWaalsContact OD2-CD1 3.29Å; D1120-I1125 WeakPolarHBondContact OD2-CD1 3.5Å; R1123-I1125 HydrophobicContact CB-CG2 4.34Å; I1125-R1127 HydrophobicContact CD1-CB 4.39Å; I1125-R1127 VanDerWaalsContact CD1-NE 3.28Å; I1125-R1127 HydrophobicContact CG1-CB 4.43Å; I1125-R1127 PolarHBondContact O-N 3.18Å
1126	L	64.3	Low	53.9	Low	87 Å²	87	78 Å²	78	46%	0.455	39%	0.394	S	S	.	.			trans	-69.2	101.6	170.7	-152.4	104	0	0	0	110.4	I1115 M1117 P1231 I1232	I1115-L1126 HydrophobicContact CG2-CD1 3.61Å; M1117-L1126 HydrophobicContact CG-CD1 4.4Å; L1126-P1231 HydrophobicContact CD1-CG 4.31Å; L1126-P1231 HydrophobicContact CD2-CG 3.65Å; L1126-P1231 HydrophobicContact CG-CB 4.14Å; L1126-P1231 HydrophobicContact CG-CG 3.49Å; L1126-P1231 VanDerWaalsContact CG-CG 3.49Å; L1126-I1232 HydrophobicContact CD1-CD1 4.47Å; L1126-I1232 HydrophobicContact CD1-CG1 4.32Å; L1126-I1232 HydrophobicContact CD2-CD1 4.31Å
1127	R	56.4	Low	51.7	Low	129 Å²	129	80.5 Å²	80.5	49%	0.487	42%	0.42	S	S	.	.			trans	-120.1	131	-177.2	-164.5	-179.8	-88.8	-110.8	2.7	109.1	V1118 D1120 I1125	V1118-R1127 HydrophobicContact CB-CB 4.23Å; V1118-R1127 HydrophobicContact CG2-CB 4.2Å; D1120-R1127 IonicContact OD2-NH2 3.14Å; D1120-R1127 PolarHBondContact OD2-NH2 3.46Å; I1125-R1127 HydrophobicContact CD1-CB 4.39Å; I1125-R1127 VanDerWaalsContact CD1-NE 3.28Å; I1125-R1127 HydrophobicContact CG1-CB 4.43Å; I1125-R1127 PolarHBondContact O-N 3.18Å
1128	S	57.6	Low	49.6	Very low	54 Å²	54	84.9 Å²	84.9	38%	0.378	45%	0.452	S	S	.	.			trans	-58.4	133.7	171	58.2	0	0	0	0	111.6	K1228 L1229	S1128-K1228 WeakPolarHBondContact OG-CD 2.39Å; S1128-L1229 CarbonylContact C-O 3.56Å; S1128-L1229 WeakPolarHBondContact CA-O 2Å
1129	F	59	Low	47.7	Very low	16 Å²	16	88.7 Å²	88.7	7%	0.07	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	125	-179.8	-58.5	-83.4	0	0	0	110.2	I1099 M1105 L1116 V1118 K1228 L1229 P1231	I1099-F1129 HydrophobicContact CD1-CD1 4.48Å; M1105-F1129 HydrophobicContact CE-CD1 3.34Å; M1105-F1129 HydrophobicContact CE-CE1 2.04Å; M1105-F1129 HydrophobicContact CE-CE2 3.83Å; M1105-F1129 HydrophobicContact CE-CG 4.46Å; M1105-F1129 HydrophobicContact CE-CZ 2.43Å; M1105-F1129 HydrophobicContact SD-CE1 3.49Å; M1105-F1129 WeakPolarHBondContact SD-CE1 3.41Å; M1105-F1129 HydrophobicContact SD-CZ 3.95Å; L1116-F1129 HydrophobicContact CB-CE2 3.79Å; L1116-F1129 HydrophobicContact CB-CZ 3.46Å; L1116-F1129 VanDerWaalsContact CB-CZ 3.46Å; L1116-F1129 HydrophobicContact CD1-CE2 3.86Å; L1116-F1129 HydrophobicContact CD1-CZ 3.86Å; L1116-F1129 HydrophobicContact CG-CE2 4.46Å; L1116-F1129 HydrophobicContact CG-CZ 4.33Å; V1118-F1129 HydrophobicContact CG2-CD1 4.28Å; V1118-F1129 HydrophobicContact CG2-CE1 3.57Å; V1118-F1129 HydrophobicContact CG2-CZ 4.07Å; F1129-K1228 CarbonylContact O-C 3.54Å; F1129-K1228 WeakPolarHBondContact O-CA 0.73Å; F1129-K1228 WeakPolarHBondContact O-CB 1.44Å; F1129-L1229 HydrophobicContact CB-CB 3.64Å; F1129-L1229 HydrophobicContact CB-CD1 4.34Å; F1129-L1229 HydrophobicContact CD2-CB 4Å; F1129-L1229 WeakPolarHBondContact CD2-O 2.22Å; F1129-L1229 HydrophobicContact CG-CB 4.29Å; F1129-L1229 PolarHBondContact N-O 3.39Å; F1129-L1229 PolarHBondContact O-N 2.47Å; F1129-P1231 HydrophobicContact CD2-CB 4.45Å; F1129-P1231 HydrophobicContact CE2-CB 3.74Å; F1129-P1231 HydrophobicContact CZ-CB 4.42Å
1130	K	47.5	Very low	45.6	Very low	127 Å²	127	88.7 Å²	88.7	55%	0.552	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	107.1	177.7	-159.9	171.5	176.6	167.7	0	110.1	V1132 S1226 S1227	K1130-V1132 HydrophobicContact CG-CG2 4.33Å; K1130-V1132 PolarHBondContact O-N 2.64Å; K1130-S1226 VanDerWaalsContact CD-CB 3.5Å; K1130-S1226 WeakPolarHBondContact CE-OG 1.45Å; K1130-S1227 CarbonylContact C-O 3.12Å
1131	A	45.9	Very low	44.2	Very low	14 Å²	14	90.2 Å²	90.2	12%	0.116	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	92.5	171.7	0	0	0	0	0	111	L1086 S1226 S1227	L1086-A1131 HydrophobicContact CD1-CB 3.09Å; A1131-S1226 CarbonylContact O-C 3.53Å; A1131-S1226 WeakPolarHBondContact O-CA 3.3Å; A1131-S1226 WeakPolarHBondContact O-CB 3.44Å; A1131-S1227 WeakPolarHBondContact CA-O 1.01Å; A1131-S1227 VanDerWaalsContact CB-CB 3.49Å; A1131-S1227 WeakPolarHBondContact CB-O 1.15Å; A1131-S1227 WeakPolarHBondContact CB-OG 1.55Å; A1131-S1227 PolarHBondContact N-O 3.06Å
1132	V	39.8	Very low	42.1	Very low	56 Å²	56	92.1 Å²	92.1	34%	0.339	52%	0.52	S	S	.	.			trans	-81.2	0	177.7	-179.9	0	0	0	0	108.9	Y1098 K1130 E1134	Y1098-V1132 VanDerWaalsContact CD1-C 3.48Å; Y1098-V1132 VanDerWaalsContact CD1-CA 3.46Å; Y1098-V1132 HydrophobicContact CD1-CB 2.98Å; Y1098-V1132 HydrophobicContact CD1-CG1 4Å; Y1098-V1132 HydrophobicContact CD1-CG2 3.89Å; Y1098-V1132 WeakPolarHBondContact CD1-O 3.08Å; Y1098-V1132 HydrophobicContact CD2-CB 4.24Å; Y1098-V1132 HydrophobicContact CD2-CG1 4.46Å; Y1098-V1132 WeakPolarHBondContact CD2-O 3.31Å; Y1098-V1132 CovalentContact CE1-CB 1.77Å; Y1098-V1132 HydrophobicContact CE1-CB 1.77Å; Y1098-V1132 HydrophobicContact CE1-CG1 2.65Å; Y1098-V1132 HydrophobicContact CE1-CG2 2.81Å; Y1098-V1132 WeakPolarHBondContact CE1-O 3.47Å; Y1098-V1132 VanDerWaalsContact CE2-C 3.43Å; Y1098-V1132 HydrophobicContact CE2-CB 3.48Å; Y1098-V1132 VanDerWaalsContact CE2-CB 3.48Å; Y1098-V1132 HydrophobicContact CE2-CG1 3.28Å; Y1098-V1132 WeakPolarHBondContact CE2-O 3.38Å; Y1098-V1132 HydrophobicContact CG-CB 4.04Å; Y1098-V1132 VanDerWaalsContact CZ-CG2 3.48Å; Y1098-V1132 VanDerWaalsContact OH-CA 3.32Å; Y1098-V1132 WeakPolarHBondContact OH-CA 3.48Å; Y1098-V1132 WeakPolarHBondContact OH-CB 3Å; Y1098-V1132 CovalentContact OH-CG1 1.19Å; Y1098-V1132 WeakPolarHBondContact OH-CG1 3.27Å; Y1098-V1132 VanDerWaalsContact OH-CG2 3.29Å; Y1098-V1132 WeakPolarHBondContact OH-CG2 2.99Å; K1130-V1132 HydrophobicContact CG-CG2 4.33Å; K1130-V1132 PolarHBondContact O-N 2.64Å; V1132-E1134 PolarHBondContact O-N 3.34Å
1133	R	33.2	Very low	40.3	Very low	200 Å²	200	86.9 Å²	86.9	76%	0.755	51%	0.512	S	S	*	.				0	101.8	0	-142.1	176.4	161.2	168.1	-1.6	111	Q1135	R1133-Q1135 PolarHBondContact O-N 3.49Å
1134	E	31.8	Very low	39.4	Very low	95 Å²	95	88.4 Å²	88.4	44%	0.444	53%	0.527	S	S	.	.			trans	-53.2	90.2	163.5	-90.5	-165.2	173.1	0	0	110.4	Y1098 V1132 G1136	Y1098-E1134 HydrophobicContact CD2-CB 4.22Å; Y1098-E1134 HydrophobicContact CD2-CG 3.63Å; Y1098-E1134 HydrophobicContact CE2-CB 3.79Å; Y1098-E1134 HydrophobicContact CE2-CG 3.08Å; Y1098-E1134 VanDerWaalsContact CE2-N 3.28Å; V1132-E1134 PolarHBondContact O-N 3.34Å; E1134-G1136 PolarHBondContact O-N 3.46Å
1135	Q	31.1	Very low	37.8	Very low	176 Å²	176	90.6 Å²	90.6	82%	0.822	55%	0.548	S	S	*	.			trans	-35.9	76.2	142	-83	-168.3	14	0	0	111.5	R1133 G1137	R1133-Q1135 PolarHBondContact O-N 3.49Å; Q1135-G1137 PolarHBondContact O-N 3.04Å
1136	G	27.4	Very low	36.3	Very low	68 Å²	68	93.1 Å²	93.1	70%	0.701	57%	0.569	S	S	*	*			trans	-41.3	66.9	151.5	0	0	0	0	0	112	E1134	E1134-G1136 PolarHBondContact O-N 3.46Å
1137	G	26.3	Very low	34.6	Very low	52 Å²	52	94.7 Å²	94.7	54%	0.536	58%	0.583	S	S	.	*			trans	-66.3	92	130.8	0	0	0	0	0	111.8	Q1135	Q1135-G1137 PolarHBondContact O-N 3.04Å
1138	C	24.9	Very low	33	Very low	117 Å²	117	93.6 Å²	93.6	79%	0.791	60%	0.595	S	S	*	*			trans	-166.6	102.1	143.1	-82.3	0	0	0	0	109.1
1139	S	28.7	Very low	31.6	Very low	95 Å²	95	94.7 Å²	94.7	66%	0.664	61%	0.607	S	S	*	*				88.8	103.7	102.6	35.1	0	0	0	0	110.4
1140	G	25.7	Very low	29.9	Very low	72 Å²	72	97.6 Å²	97.6	74%	0.742	63%	0.629	S	S	*	*	S	Bend		-118.9	83.8	110.9	0	0	0	0	0	110.7
1141	S	33.1	Very low	28.9	Very low	114 Å²	114	95.7 Å²	95.7	80%	0.797	63%	0.625	S	S	*	*				123.1	91.8	114.4	-81.4	0	0	0	0	109.3
1142	S	26.9	Very low	27.9	Very low	98 Å²	98	95.9 Å²	95.9	69%	0.685	63%	0.626	S	S	*	*				41.5	107.7	66.2	-33.9	0	0	0	0	111.2
1143	G	26.4	Very low	27.1	Very low	60 Å²	60	95.2 Å²	95.2	62%	0.619	62%	0.624	S	S	*	*				155.5	96.4	123.8	0	0	0	0	0	110.3
1144	I	26.8	Very low	26.7	Very low	147 Å²	147	91.4 Å²	91.4	75%	0.754	62%	0.623	S	S	*	*				142.8	110.9	104.2	-61	174	0	0	0	108.3
1145	S	25.1	Very low	26.3	Very low	80 Å²	80	92.1 Å²	92.1	56%	0.559	63%	0.634	S	S	*	*				102	110	88.9	25.5	0	0	0	0	110.3
1146	S	25.4	Very low	26	Very low	99 Å²	99	91 Å²	91	69%	0.692	63%	0.628	S	S	*	*				135.6	118.1	98.8	53.6	0	0	0	0	109.7
1147	T	27.1	Very low	25.9	Very low	119 Å²	119	98.8 Å²	98.8	73%	0.73	64%	0.636	S	S	*	*				139.2	113.6	99.6	37.3	0	0	0	0	109.2
1148	S	24.3	Very low	25.8	Very low	107 Å²	107	102.6 Å²	102.6	75%	0.748	64%	0.644	S	S	*	*				67.8	117.7	101.8	40.3	0	0	0	0	110.9
1149	A	26.3	Very low	25.8	Very low	77 Å²	77	102.3 Å²	102.3	64%	0.636	64%	0.643	S	S	*	*			trans	144.6	117.6	130.1	0	0	0	0	0	109.4
1150	S	24.9	Very low	25.6	Very low	76 Å²	76	100.9 Å²	100.9	53%	0.531	63%	0.633	S	S	.	*				64.9	103.4	120.6	38.8	0	0	0	0	110.8	H1787	S1150-H1787 VanDerWaalsContact CA-CD2 3.44Å; S1150-H1787 WeakPolarHBondContact CA-CD2 3.06Å
1151	N	26.5	Very low	25.6	Very low	87 Å²	87	106.5 Å²	106.5	47%	0.465	64%	0.637	S	S	.	*				125.1	0	108	-83.7	-9.5	0	0	0	110.4	D1786 H1787	N1151-D1786 CarbonylContact C-O 3.56Å; N1151-H1787 CarbonylContact C-O 3.04Å; N1151-H1787 CovalentContact CA-CB 1.73Å; N1151-H1787 WeakPolarHBondContact CA-CD2 3.41Å; N1151-H1787 HydrophobicContact CB-CB 2.59Å; N1151-H1787 PolarHBondContact N-CD2 2.54Å; N1151-H1787 VanDerWaalsContact O-CB 3.28Å; N1151-H1787 WeakPolarHBondContact O-CB 2.81Å; N1151-H1787 WeakPolarHBondContact OD1-CB 3.35Å; N1151-H1787 PolarHBondContact OD1-CD2 3.18Å; N1151-H1787 PolarHBondContact OD1-CE1 3.28Å; N1151-H1787 PolarHBondContact OD1-ND1 3.34Å; N1151-H1787 PolarHBondContact OD1-NE2 2.9Å
1152	S	23.6	Very low	25.4	Very low	18 Å²	18	104.1 Å²	104.1	13%	0.126	63%	0.631	C	S	.	*	B	Isolated β-bridge		0	0	0	-175.8	0	0	0	0	110.8	D1786 H1787 V1788	S1152-D1786 VanDerWaalsContact CA-O 3.23Å; S1152-D1786 WeakPolarHBondContact CA-O 3.09Å; S1152-D1786 PolarHBondContact N-O 3.45Å; S1152-H1787 CarbonylContact C-O 1.8Å; S1152-H1787 CovalentContact CA-N 1.52Å; S1152-H1787 WeakPolarHBondContact CA-O 3.08Å; S1152-H1787 CovalentContact CB-C 0.95Å; S1152-H1787 CovalentContact CB-CA 1.18Å; S1152-H1787 WeakPolarHBondContact CB-O 2.85Å; S1152-H1787 CovalentContact N-N 1.84Å; S1152-H1787 PolarHBondContact N-O 2.83Å; S1152-H1787 CarbonylContact O-C 3.08Å; S1152-H1787 WeakPolarHBondContact OG-CA 3.46Å; S1152-H1787 PolarHBondContact OG-N 3.48Å; S1152-H1787 PolarHBondContact OG-O 2.9Å; S1152-V1788 WeakPolarHBondContact O-CG2 2.71Å; S1152-V1788 WeakPolarHBondContact OG-CA 3.37Å; S1152-V1788 WeakPolarHBondContact OG-CB 2.64Å; S1152-V1788 CovalentContact OG-N 1.53Å; S1152-V1788 PolarHBondContact OG-N 2.98Å
1153	S	23.7	Very low	25.6	Very low	43 Å²	43	105 Å²	105	30%	0.301	64%	0.637	S	S	.	*				0	105.5	0	61.2	0	0	0	0	110.2	H1787 V1788	S1153-H1787 WeakPolarHBondContact CB-O 2.86Å; S1153-H1787 PolarHBondContact N-O 3.36Å; S1153-H1787 VanDerWaalsContact OG-C 3.24Å; S1153-H1787 PolarHBondContact OG-O 3.24Å; S1153-V1788 WeakPolarHBondContact OG-CB 3.03Å; S1153-V1788 WeakPolarHBondContact OG-CG2 3.22Å; S1153-V1788 PolarHBondContact OG-N 2.59Å; S1153-V1788 VanDerWaalsContact OG-N 3.13Å
1154	T	25	Very low	25.9	Very low	120 Å²	120	107.6 Å²	107.6	74%	0.736	64%	0.643	S	S	*	*				86.3	101.3	119.9	40.5	0	0	0	0	110
1155	V	23.3	Very low	25.9	Very low	110 Å²	110	103.4 Å²	103.4	67%	0.667	64%	0.636	S	S	*	*			trans	-138.6	106	144.2	-178.8	0	0	0	0	108.5
1156	E	25.4	Very low	26	Very low	151 Å²	151	105.5 Å²	105.5	71%	0.706	65%	0.646	S	S	*	*				110	0	93.6	-88.4	-159.4	168.1	0	0	110.1
1157	R	23.6	Very low	26	Very low	233 Å²	233	106.6 Å²	106.6	88%	0.879	65%	0.648	S	S	*	*				0	95.1	0	-99.9	-173.2	-160	155.6	-1.6	109.6
1158	L	24.1	Very low	25.9	Very low	132 Å²	132	105.9 Å²	105.9	69%	0.691	65%	0.648	S	S	*	*				115.8	92.2	100.8	-83.6	150.8	0	0	0	109.6
1159	S	24.9	Very low	26	Very low	110 Å²	110	108 Å²	108	77%	0.769	65%	0.646	S	S	*	*				152	99.9	114.8	49.7	0	0	0	0	109.2
1160	S	25.6	Very low	26.1	Very low	66 Å²	66	112 Å²	112	46%	0.462	65%	0.649	S	S	.	*				65.1	109	99.6	-81.6	0	0	0	0	110.8
1161	F	26.4	Very low	26.3	Very low	189 Å²	189	114.4 Å²	114.4	83%	0.829	66%	0.656	S	S	*	*				133.8	111.2	105	-90.5	-79.6	0	0	0	109.1	V1794	F1161-V1794 HydrophobicContact CZ-CG2 4.46Å
1162	G	27.2	Very low	26.3	Very low	64 Å²	64	121.5 Å²	121.5	66%	0.66	68%	0.676	S	S	*	*				101	104.1	97.3	0	0	0	0	0	110.4
1163	S	30.9	Very low	26.6	Very low	116 Å²	116	125.7 Å²	125.7	81%	0.811	70%	0.703	S	S	*	*				82.6	155.7	106	-70.7	0	0	0	0	110.6
1164	P	33.9	Very low	26.7	Very low	115 Å²	115	130.8 Å²	130.8	75%	0.747	73%	0.727	S	S	*	*				-155.4	152.7	-60.6	34	-4.4	0	0	0	112
1165	G	26.7	Very low	26.8	Very low	59 Å²	59	130.5 Å²	130.5	61%	0.608	73%	0.73	S	S	*	*				94.1	111.8	121.3	0	0	0	0	0	110.8
1166	T	26.6	Very low	26.9	Very low	124 Å²	124	128.4 Å²	128.4	76%	0.761	73%	0.731	S	S	*	*				159.1	115.8	126	58.6	0	0	0	0	109.1
1167	T	25.3	Very low	27	Very low	122 Å²	122	126.8 Å²	126.8	75%	0.748	73%	0.727	S	S	*	*				90.7	110.2	95.4	52.7	0	0	0	0	109.7
1168	S	25.9	Very low	27.1	Very low	104 Å²	104	118.7 Å²	118.7	73%	0.727	70%	0.7	S	S	*	*				97.6	104.6	101.2	-160.7	0	0	0	0	110.1
1169	E	27	Very low	27.2	Very low	153 Å²	153	115 Å²	115	72%	0.715	69%	0.686	S	S	*	*				146.8	107.9	122.8	-109.3	-176.1	164.2	0	0	109.6
1170	K	27.9	Very low	27.3	Very low	160 Å²	160	111.1 Å²	111.1	70%	0.696	66%	0.663	S	S	*	*				89.7	105.9	98.8	-106.5	-177.7	-177.8	171.9	0	110.1
1171	D	29.5	Very low	27.3	Very low	127 Å²	127	115.6 Å²	115.6	68%	0.679	67%	0.671	S	S	*	*				106.2	96.9	108.8	-86.9	-23.6	0	0	0	109.6
1172	R	24.8	Very low	27.2	Very low	235 Å²	235	112.3 Å²	112.3	89%	0.887	67%	0.671	S	S	*	*				74.5	0	108.8	-100	-177.8	-178.1	175.3	0.5	110.5
1173	P	30.7	Very low	27.1	Very low	107 Å²	107	111.6 Å²	111.6	70%	0.695	66%	0.656	S	S	*	*				0	139.4	0	35	-6.9	0	0	0	111.9
1174	N	26.3	Very low	26.9	Very low	150 Å²	150	112 Å²	112	80%	0.802	65%	0.648	S	S	*	*			trans	146.7	106	139.8	-112.3	3.6	0	0	0	109.8
1175	S	26	Very low	26.4	Very low	114 Å²	114	110.8 Å²	110.8	80%	0.797	64%	0.642	S	S	*	*				78.4	109.7	113.7	62	0	0	0	0	110.6
1176	G	25.4	Very low	26.3	Very low	66 Å²	66	112.9 Å²	112.9	68%	0.68	65%	0.647	S	S	*	*			trans	123.8	0	134.6	0	0	0	0	0	110.2
1177	N	28.5	Very low	26.1	Very low	117 Å²	117	112.5 Å²	112.5	63%	0.626	65%	0.649	S	S	*	*				0	0	0	-95.4	4	0	0	0	110.2	R790	R790-N1177 PolarHBondContact NH2-OD1 3.2Å
1178	I	26.2	Very low	26	Very low	62 Å²	62	111.5 Å²	111.5	32%	0.318	65%	0.647	S	S	.	*				0	0	0	-68.9	173.8	0	0	0	109.3	E787 T788 V789 R790	E787-I1178 CarbonylContact C-O 3.55Å; E787-I1178 WeakPolarHBondContact CG-O 3.11Å; T788-I1178 VanDerWaalsContact C-CB 3.49Å; T788-I1178 CarbonylContact C-O 3.6Å; T788-I1178 VanDerWaalsContact CA-CG2 3.41Å; T788-I1178 WeakPolarHBondContact CA-O 2.53Å; T788-I1178 WeakPolarHBondContact CB-O 3.42Å; T788-I1178 VanDerWaalsContact CG2-CA 3.42Å; T788-I1178 WeakPolarHBondContact CG2-O 3.11Å; T788-I1178 CarbonylContact O-C 3.36Å; T788-I1178 WeakPolarHBondContact O-CG2 3.39Å; T788-I1178 PolarHBondContact OG1-O 3.44Å; V789-I1178 HydrophobicContact CB-CB 1.61Å; V789-I1178 HydrophobicContact CB-CD1 3.14Å; V789-I1178 HydrophobicContact CB-CG1 2.6Å; V789-I1178 HydrophobicContact CB-CG2 0.04Å; V789-I1178 WeakPolarHBondContact CB-O 3.44Å; V789-I1178 HydrophobicContact CG1-CB 1.88Å; V789-I1178 HydrophobicContact CG1-CD1 1.71Å; V789-I1178 HydrophobicContact CG1-CG1 1.77Å; V789-I1178 HydrophobicContact CG1-CG2 1.6Å; V789-I1178 HydrophobicContact CG2-CB 1.88Å; V789-I1178 HydrophobicContact CG2-CD1 3.89Å; V789-I1178 HydrophobicContact CG2-CG1 2.75Å; V789-I1178 CovalentContact CG2-CG2 1.55Å; V789-I1178 HydrophobicContact CG2-CG2 1.55Å; V789-I1178 VanDerWaalsContact CG2-N 3.27Å; V789-I1178 WeakPolarHBondContact CG2-O 3.29Å; V789-I1178 WeakPolarHBondContact O-CG2 3.29Å; R790-I1178 HydrophobicContact CG-CD1 4.36Å
1179	S	24.7	Very low	26.1	Very low	56 Å²	56	112.2 Å²	112.2	39%	0.392	65%	0.651	S	S	.	*				0	113.2	0	60.9	0	0	0	0	111.2	E787 T788 V789	E787-S1179 CarbonylContact C-O 1.65Å; E787-S1179 WeakPolarHBondContact CA-O 3.41Å; E787-S1179 PolarHBondContact N-O 2.96Å; E787-S1179 CarbonylContact O-C 3.18Å; T788-S1179 VanDerWaalsContact C-CA 3.47Å; T788-S1179 CarbonylContact C-O 2.48Å; T788-S1179 WeakPolarHBondContact CA-O 3.48Å; T788-S1179 WeakPolarHBondContact CA-OG 3.19Å; T788-S1179 CovalentContact CB-N 1.02Å; T788-S1179 WeakPolarHBondContact CB-O 2.63Å; T788-S1179 VanDerWaalsContact CB-OG 3.26Å; T788-S1179 WeakPolarHBondContact CB-OG 3.4Å; T788-S1179 CovalentContact CG2-CA 1.27Å; T788-S1179 CovalentContact CG2-N 1.09Å; T788-S1179 WeakPolarHBondContact CG2-O 3.23Å; T788-S1179 WeakPolarHBondContact CG2-OG 2.52Å; T788-S1179 VanDerWaalsContact N-N 3.17Å; T788-S1179 CovalentContact N-O 0.42Å; T788-S1179 PolarHBondContact N-O 3.42Å; T788-S1179 PolarHBondContact N-OG 3.38Å; T788-S1179 VanDerWaalsContact O-O 3.05Å; T788-S1179 WeakPolarHBondContact OG1-CA 3.12Å; T788-S1179 PolarHBondContact OG1-N 3.06Å; T788-S1179 PolarHBondContact OG1-O 2.8Å; V789-S1179 WeakPolarHBondContact CA-OG 3.45Å; V789-S1179 VanDerWaalsContact CB-OG 3.24Å; V789-S1179 WeakPolarHBondContact CB-OG 3.45Å; V789-S1179 WeakPolarHBondContact CG2-OG 3.27Å; V789-S1179 PolarHBondContact N-O 3.31Å; V789-S1179 VanDerWaalsContact N-O 3.09Å; V789-S1179 PolarHBondContact N-OG 3.07Å
1180	G	28.4	Very low	25.8	Very low	27 Å²	27	112.3 Å²	112.3	28%	0.278	66%	0.656	S	S	.	*			trans	-179.7	0	160.5	0	0	0	0	0	109.9	I785 N786 E787 T788	I785-G1180 VanDerWaalsContact C-C 3.47Å; I785-G1180 CarbonylContact C-O 1.57Å; N786-G1180 CarbonylContact C-O 3.5Å; N786-G1180 CovalentContact CA-O 0.42Å; N786-G1180 WeakPolarHBondContact CA-O 3.39Å; N786-G1180 WeakPolarHBondContact CB-O 2.9Å; N786-G1180 PolarHBondContact N-O 2.97Å; N786-G1180 PolarHBondContact OD1-O 3.09Å; E787-G1180 PolarHBondContact N-O 2.86Å; T788-G1180 VanDerWaalsContact CB-N 3.27Å; T788-G1180 PolarHBondContact OG1-N 2.71Å
1181	Y	25.2	Very low	25.6	Very low	160 Å²	160	111.2 Å²	111.2	63%	0.627	66%	0.657	S	S	*	*				0	110.4	0	-81.1	-81	0	0	0	109.7	I785 N786	I785-Y1181 HydrophobicContact CB-CD1 3.43Å; I785-Y1181 VanDerWaalsContact CB-CD1 3.43Å; I785-Y1181 HydrophobicContact CB-CE1 3.84Å; I785-Y1181 HydrophobicContact CB-CG 4.41Å; I785-Y1181 HydrophobicContact CG1-CD1 4.24Å; I785-Y1181 HydrophobicContact CG2-CD1 1.98Å; I785-Y1181 HydrophobicContact CG2-CD2 4.22Å; I785-Y1181 HydrophobicContact CG2-CE1 2.35Å; I785-Y1181 HydrophobicContact CG2-CE2 4.41Å; I785-Y1181 HydrophobicContact CG2-CG 3.17Å; N786-Y1181 HydrophobicContact CB-CD1 2.43Å; N786-Y1181 HydrophobicContact CB-CD2 1.98Å; N786-Y1181 HydrophobicContact CB-CE1 2.81Å; N786-Y1181 HydrophobicContact CB-CE2 2.43Å; N786-Y1181 HydrophobicContact CB-CG 1.97Å; N786-Y1181 VanDerWaalsContact CG-C 3.41Å; N786-Y1181 CovalentContact CG-CG 0.86Å; N786-Y1181 WeakPolarHBondContact ND2-CA 3.36Å; N786-Y1181 CovalentContact ND2-CB 1.66Å; N786-Y1181 WeakPolarHBondContact ND2-CB 3.02Å; N786-Y1181 WeakPolarHBondContact ND2-CD1 3.22Å; N786-Y1181 WeakPolarHBondContact ND2-CD2 3.27Å; N786-Y1181 WeakPolarHBondContact ND2-CE1 3.14Å; N786-Y1181 WeakPolarHBondContact ND2-CE2 2.96Å; N786-Y1181 CovalentContact ND2-CG 0.58Å; N786-Y1181 CovalentContact OD1-CA 1.22Å; N786-Y1181 WeakPolarHBondContact OD1-CA 3.39Å; N786-Y1181 CovalentContact OD1-CB 1.17Å; N786-Y1181 WeakPolarHBondContact OD1-CB 3.11Å; N786-Y1181 WeakPolarHBondContact OD1-CD1 3.42Å; N786-Y1181 WeakPolarHBondContact OD1-CD2 3.46Å; N786-Y1181 PolarHBondContact OD1-N 3.09Å; N786-Y1181 PolarHBondContact OD1-O 2.94Å
1182	S	23.9	Very low	25.4	Very low	121 Å²	121	110.1 Å²	110.1	85%	0.846	66%	0.659	S	S	*	*			trans	-145.4	104.9	137.9	10.9	0	0	0	0	109.6
1183	S	25.5	Very low	25.4	Very low	49 Å²	49	106.9 Å²	106.9	34%	0.343	66%	0.658	S	S	.	*			trans	-149.7	120.5	163.3	-41.4	0	0	0	0	109.2	N784 I785	N784-S1183 PolarHBondContact OD1-OG 2.83Å; I785-S1183 WeakPolarHBondContact CD1-OG 2.86Å; I785-S1183 WeakPolarHBondContact CG1-OG 3.08Å
1184	I	25.7	Very low	25.3	Very low	125 Å²	125	107.3 Å²	107.3	64%	0.641	66%	0.661	S	S	*	*				146.6	117	108.9	-54.9	167	0	0	0	108.3	I785	I785-I1184 HydrophobicContact CD1-CD1 3.1Å; I785-I1184 HydrophobicContact CD1-CG1 3.7Å; I785-I1184 HydrophobicContact CG1-CD1 4.4Å
1185	S	24.4	Very low	25.4	Very low	88 Å²	88	103.3 Å²	103.3	62%	0.615	66%	0.655	S	S	*	*				64.2	122.9	98.2	23.9	0	0	0	0	110.9
1186	S	24.2	Very low	25.4	Very low	103 Å²	103	103.2 Å²	103.2	72%	0.72	65%	0.654	S	S	*	*				125.5	123.1	110.3	-46.4	0	0	0	0	109.6
1187	C	22.3	Very low	25.4	Very low	117 Å²	117	106.7 Å²	106.7	79%	0.791	66%	0.658	S	S	*	*				71.6	114.1	106.5	-71	0	0	0	0	110.2
1188	S	24.4	Very low	25.3	Very low	101 Å²	101	106.9 Å²	106.9	71%	0.706	66%	0.663	S	S	*	*			trans	144	100.3	133.4	-58.4	0	0	0	0	109.4
1189	S	26.2	Very low	25.2	Very low	118 Å²	118	112.8 Å²	112.8	83%	0.825	69%	0.689	S	S	*	*				-179.3	84.1	119	-49.4	0	0	0	0	109.4
1190	L	22.1	Very low	25.1	Very low	155 Å²	155	114.8 Å²	114.8	81%	0.812	70%	0.703	S	S	*	*				-17.1	102.3	119	-72.1	174.2	0	0	0	111.7
1191	I	23	Very low	25	Very low	138 Å²	138	121.3 Å²	121.3	71%	0.708	73%	0.726	S	S	*	*				98.9	0	120.4	-65.8	169.7	0	0	0	108.8
1192	S	25.6	Very low	25	Very low	103 Å²	103	119.6 Å²	119.6	72%	0.72	73%	0.732	S	S	*	*				0	0	0	-23.4	0	0	0	0	109.5
1193	L	23.8	Very low	25.1	Very low	167 Å²	167	118.7 Å²	118.7	87%	0.874	73%	0.726	S	S	*	*				0	0	0	-101.8	99.3	0	0	0	111
1194	P	29.5	Very low	25.2	Very low	116 Å²	116	124.9 Å²	124.9	75%	0.753	75%	0.754	S	S	*	*				0	146.6	0	33.8	-5.2	0	0	0	112
1195	G	27.8	Very low	25.3	Very low	67 Å²	67	125.6 Å²	125.6	69%	0.691	76%	0.764	S	S	*	*				132.7	103.6	129.5	0	0	0	0	0	110.4
1196	S	25.5	Very low	25.4	Very low	111 Å²	111	127 Å²	127	78%	0.776	77%	0.774	S	S	*	*				92.5	107.8	110.8	62.2	0	0	0	0	110.3
1197	N	26.3	Very low	25.5	Very low	140 Å²	140	127.1 Å²	127.1	75%	0.749	78%	0.781	S	S	*	*				135.3	98.6	125	-104.4	-0.6	0	0	0	110
1198	T	27.4	Very low	25.6	Very low	121 Å²	121	126.5 Å²	126.5	74%	0.742	79%	0.785	S	S	*	*				103.4	101.8	113.2	46.8	0	0	0	0	109.7
1199	Q	22.9	Very low	25.6	Very low	186 Å²	186	125 Å²	125	87%	0.869	78%	0.778	S	S	*	*				78.5	0	121.4	-93.8	178.5	5.4	0	0	110.7
1200	S	22.7	Very low	25.7	Very low	98 Å²	98	124.2 Å²	124.2	69%	0.685	77%	0.773	S	S	*	*				0	103.1	0	58.7	0	0	0	0	109.9
1201	H	27.4	Very low	26	Very low	164 Å²	164	121.3 Å²	121.3	76%	0.759	77%	0.771	S	S	*	*			trans	144.4	0	136.4	-79.6	-84	0	0	0	109.5
1202	T	24.4	Very low	26.2	Very low	123 Å²	123	119 Å²	119	76%	0.755	77%	0.773	S	S	*	*				0	96.6	0	54	0	0	0	0	110.8
1203	S	26	Very low	26.3	Very low	103 Å²	103	117.3 Å²	117.3	72%	0.72	76%	0.758	S	S	*	*			trans	146	79.1	143.7	100.3	0	0	0	0	109.6
1204	L	28	Very low	26.4	Very low	178 Å²	178	113.5 Å²	113.5	93%	0.932	75%	0.751	S	S	*	*	S	Bend		-171.1	48.8	122.1	-101.8	145.6	0	0	0	109.3
1205	V	27.3	Very low	26.3	Very low	140 Å²	140	111.7 Å²	111.7	85%	0.848	74%	0.741	S	S	*	*			trans	-70.4	0	144.6	179.8	0	0	0	0	109.3
1206	S	26.9	Very low	26.2	Very low	117 Å²	117	113.7 Å²	113.7	82%	0.818	73%	0.733	S	S	*	*	S	Bend		0	0	0	-164.5	0	0	0	0	109.6
1207	A	25	Very low	26.2	Very low	106 Å²	106	113.8 Å²	113.8	88%	0.876	73%	0.73	S	S	*	*	S	Bend		0	0	0	0	0	0	0	0	109.5
1208	A	25.3	Very low	26.1	Very low	105 Å²	105	111.9 Å²	111.9	87%	0.868	72%	0.719	S	S	*	*	S	Bend		0	0	0	0	0	0	0	0	109.1
1209	A	24.9	Very low	26.1	Very low	68 Å²	68	113.5 Å²	113.5	56%	0.562	71%	0.712	S	S	*	*	S	Bend		0	0	0	0	0	0	0	0	109
1210	S	27.9	Very low	26.3	Very low	102 Å²	102	107.1 Å²	107.1	71%	0.713	69%	0.688	S	S	*	*	S	Bend		0	0	0	-64.5	0	0	0	0	109.3
1211	A	28.7	Very low	26.6	Very low	94 Å²	94	107.1 Å²	107.1	78%	0.777	69%	0.688	S	S	*	*	S	Bend		0	0	0	0	0	0	0	0	109.2
1212	A	26.5	Very low	26.5	Very low	89 Å²	89	101.4 Å²	101.4	74%	0.736	67%	0.665	S	S	*	*	S	Bend		0	0	0	0	0	0	0	0	109.1
1213	V	27.5	Very low	26.8	Very low	68 Å²	68	98.8 Å²	98.8	41%	0.412	65%	0.651	S	S	.	*	S	Bend		0	0	0	-175.6	0	0	0	0	108	R977 I1022	R977-V1213 PolarHBondContact NH2-O 3.18Å; I1022-V1213 HydrophobicContact CB-CB 4.44Å; I1022-V1213 HydrophobicContact CB-CG1 3.79Å; I1022-V1213 HydrophobicContact CB-CG2 4.46Å; I1022-V1213 HydrophobicContact CD1-CB 3.54Å; I1022-V1213 HydrophobicContact CD1-CG1 2.18Å; I1022-V1213 HydrophobicContact CD1-CG2 4.25Å; I1022-V1213 HydrophobicContact CG1-CG1 3.43Å; I1022-V1213 VanDerWaalsContact CG1-CG1 3.43Å; I1022-V1213 HydrophobicContact CG2-CB 3.89Å; I1022-V1213 HydrophobicContact CG2-CG1 3.57Å; I1022-V1213 HydrophobicContact CG2-CG2 3.4Å
1214	A	27.2	Very low	26.9	Very low	88 Å²	88	101.6 Å²	101.6	73%	0.727	66%	0.658	S	S	*	*	S	Bend		0	0	0	0	0	0	0	0	108.9
1215	S	27.5	Very low	26.9	Very low	78 Å²	78	95.3 Å²	95.3	55%	0.545	64%	0.635	S	S	.	*				0	50	0	173.3	0	0	0	0	109.3
1216	M	23.9	Very low	27.3	Very low	108 Å²	108	90.8 Å²	90.8	53%	0.532	61%	0.61	S	S	.	*	S	Bend	trans	-124	0	159.9	-66.4	-163.1	98.2	0	0	109.2	V1230 I1232	M1216-V1230 HydrophobicContact CE-CG1 3.72Å; M1216-I1232 HydrophobicContact CE-CB 4.24Å; M1216-I1232 HydrophobicContact CE-CD1 3.22Å; M1216-I1232 HydrophobicContact CE-CG1 3.93Å; M1216-I1232 HydrophobicContact SD-CD1 3.8Å
1217	T	26	Very low	28	Very low	113 Å²	113	88.5 Å²	88.5	69%	0.693	59%	0.594	S	S	*	*	S	Bend		0	77.4	0	44.6	0	0	0	0	108.8
1218	D	24.8	Very low	29.4	Very low	100 Å²	100	90.4 Å²	90.4	54%	0.535	58%	0.583	S	S	.	*			trans	111	0	164.5	-104.5	-11.3	0	0	0	110.5	I393	I393-D1218 HydrophobicContact CG2-CB 4.02Å; I393-D1218 WeakPolarHBondContact CG2-OD1 2.96Å
1219	R	28.2	Very low	31	Very low	155 Å²	155	86.4 Å²	86.4	59%	0.585	55%	0.546	S	S	*	.				0	102.6	0	-98.2	178.1	149.9	-154.1	-0.4	109.5	L384	L384-R1219 VanDerWaalsContact CD2-CZ 3.43Å
1220	S	26.2	Very low	32.9	Very low	53 Å²	53	86.8 Å²	86.8	37%	0.371	54%	0.542	S	S	.	.				70.6	0	96.7	28.2	0	0	0	0	110.9
1221	S	29.1	Very low	34.9	Very low	98 Å²	98	82.2 Å²	82.2	69%	0.685	51%	0.51	S	S	*	.				0	0	0	33.3	0	0	0	0	109.4	G391 S1223	G391-S1221 CarbonylContact O-C 3.26Å; S1221-S1223 PolarHBondContact O-N 3.18Å
1222	T	25.7	Very low	37	Very low	44 Å²	44	80 Å²	80	27%	0.27	48%	0.484	S	S	.	.				0	95.6	0	36.5	0	0	0	0	111.1	V389 S390 G391	V389-T1222 VanDerWaalsContact C-CB 3.47Å; V389-T1222 PolarHBondContact O-OG1 2.65Å; S390-T1222 CovalentContact C-CG2 1.68Å; S390-T1222 WeakPolarHBondContact CA-OG1 3.48Å; S390-T1222 VanDerWaalsContact CB-CB 3.41Å; S390-T1222 PolarHBondContact N-OG1 2.7Å; S390-T1222 CarbonylContact O-C 3.42Å; S390-T1222 WeakPolarHBondContact O-CA 3.45Å; S390-T1222 CovalentContact O-CB 0.69Å; S390-T1222 WeakPolarHBondContact O-CB 3.23Å; S390-T1222 WeakPolarHBondContact O-CG2 2.75Å; S390-T1222 PolarHBondContact O-N 3.3Å; S390-T1222 CovalentContact O-OG1 1.12Å; S390-T1222 PolarHBondContact O-OG1 2.73Å; S390-T1222 WeakPolarHBondContact OG-CG2 3.14Å; G391-T1222 PolarHBondContact N-OG1 3.18Å; G391-T1222 PolarHBondContact O-N 3.42Å; G391-T1222 PolarHBondContact O-OG1 2.75Å
1223	S	29.6	Very low	39.2	Very low	67 Å²	67	75.9 Å²	75.9	47%	0.469	45%	0.449	S	S	.	.				-169	0	124	94.7	0	0	0	0	109.2	S1221 G1225	S1221-S1223 PolarHBondContact O-N 3.18Å; S1223-G1225 WeakPolarHBondContact O-CA 3.04Å; S1223-G1225 PolarHBondContact O-N 3.47Å
1224	L	29.2	Very low	41.4	Very low	163 Å²	163	75.1 Å²	75.1	85%	0.853	45%	0.446	S	S	*	.	S	Bend		0	0	0	-101.1	111	0	0	0	111.2
1225	G	27.2	Very low	43.8	Very low	45 Å²	45	71 Å²	71	46%	0.464	41%	0.412	S	S	.	.	S	Bend		0	0	0	0	0	0	0	0	109.9	S1223	S1223-G1225 WeakPolarHBondContact O-CA 3.04Å; S1223-G1225 PolarHBondContact O-N 3.47Å
1226	S	35.6	Very low	46	Very low	45 Å²	45	71.1 Å²	71.1	32%	0.315	41%	0.406	S	S	.	.				0	0	0	-5.7	0	0	0	0	110.3	K1130 A1131 K1228	K1130-S1226 VanDerWaalsContact CD-CB 3.5Å; K1130-S1226 WeakPolarHBondContact CE-OG 1.45Å; A1131-S1226 CarbonylContact O-C 3.53Å; A1131-S1226 WeakPolarHBondContact O-CA 3.3Å; A1131-S1226 WeakPolarHBondContact O-CB 3.44Å; S1226-K1228 PolarHBondContact O-N 3.22Å
1227	S	42.7	Very low	48.3	Very low	69 Å²	69	67.4 Å²	67.4	48%	0.483	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)		0	0	0	-13	0	0	0	0	111.6	K1130 A1131 L1229	K1130-S1227 CarbonylContact C-O 3.12Å; A1131-S1227 WeakPolarHBondContact CA-O 1.01Å; A1131-S1227 VanDerWaalsContact CB-CB 3.49Å; A1131-S1227 WeakPolarHBondContact CB-O 1.15Å; A1131-S1227 WeakPolarHBondContact CB-OG 1.55Å; A1131-S1227 PolarHBondContact N-O 3.06Å; S1227-L1229 PolarHBondContact O-N 3.34Å
1228	K	53.2	Low	50.7	Low	147 Å²	147	62.2 Å²	62.2	64%	0.639	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)		0	107.1	0	-72.8	-174.8	-178.3	172.9	0	110.7	S1128 F1129 S1226	S1128-K1228 WeakPolarHBondContact OG-CD 2.39Å; F1129-K1228 CarbonylContact O-C 3.54Å; F1129-K1228 WeakPolarHBondContact O-CA 0.73Å; F1129-K1228 WeakPolarHBondContact O-CB 1.44Å; S1226-K1228 PolarHBondContact O-N 3.22Å
1229	L	60.2	Low	53.4	Low	20 Å²	20	62.5 Å²	62.5	11%	0.105	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	0	173.3	-81.4	153.2	0	0	0	111.1	V1083 S1128 F1129 S1227 F1233 V1261	V1083-L1229 HydrophobicContact CB-CD1 4.39Å; V1083-L1229 HydrophobicContact CG1-CD1 3.57Å; S1128-L1229 CarbonylContact C-O 3.56Å; S1128-L1229 WeakPolarHBondContact CA-O 2Å; F1129-L1229 HydrophobicContact CB-CB 3.64Å; F1129-L1229 HydrophobicContact CB-CD1 4.34Å; F1129-L1229 HydrophobicContact CD2-CB 4Å; F1129-L1229 WeakPolarHBondContact CD2-O 2.22Å; F1129-L1229 HydrophobicContact CG-CB 4.29Å; F1129-L1229 PolarHBondContact N-O 3.39Å; F1129-L1229 PolarHBondContact O-N 2.47Å; S1227-L1229 PolarHBondContact O-N 3.34Å; L1229-F1233 HydrophobicContact CD2-CE1 4.46Å; L1229-V1261 HydrophobicContact CD2-CB 4.19Å; L1229-V1261 HydrophobicContact CD2-CG1 4.08Å; L1229-V1261 HydrophobicContact CD2-CG2 3.08Å
1230	V	64.9	Low	56	Low	77 Å²	77	56.1 Å²	56.1	47%	0.467	33%	0.331	S	S	.	.				0	0	0	-179	0	0	0	0	109.2	M1216 I1232 F1233	M1216-V1230 HydrophobicContact CE-CG1 3.72Å; V1230-I1232 HydrophobicContact CG1-CB 4.24Å; V1230-I1232 PolarHBondContact O-N 3.45Å; V1230-F1233 VanDerWaalsContact O-CE2 3.28Å; V1230-F1233 WeakPolarHBondContact O-CE2 3.04Å; V1230-F1233 WeakPolarHBondContact O-CZ 3.49Å
1231	P	68.3	Low	58.7	Low	6 Å²	6	56.3 Å²	56.3	4%	0.039	33%	0.333	C	S	.	.	S	Bend		0	0	0	25.9	-28.1	0	0	0	112.5	I1115 L1116 L1126 F1129	I1115-P1231 CarbonylContact C-O 3.51Å; I1115-P1231 WeakPolarHBondContact CA-O 3.2Å; L1116-P1231 PolarHBondContact N-O 3Å; L1116-P1231 WeakPolarHBondContact O-CB 2.32Å; L1126-P1231 HydrophobicContact CD1-CG 4.31Å; L1126-P1231 HydrophobicContact CD2-CG 3.65Å; L1126-P1231 HydrophobicContact CG-CB 4.14Å; L1126-P1231 HydrophobicContact CG-CG 3.49Å; L1126-P1231 VanDerWaalsContact CG-CG 3.49Å; F1129-P1231 HydrophobicContact CD2-CB 4.45Å; F1129-P1231 HydrophobicContact CE2-CB 3.74Å; F1129-P1231 HydrophobicContact CZ-CB 4.42Å
1232	I	72.8	Confident	61.3	Low	48 Å²	48	54.8 Å²	54.8	25%	0.246	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)		0	116.6	0	-59.7	173.1	0	0	0	108.2	A1113 L1114 I1115 L1126 M1216 V1230	A1113-I1232 HydrophobicContact CB-CG2 4.14Å; L1114-I1232 CarbonylContact O-C 3.45Å; L1114-I1232 VanDerWaalsContact O-CA 3.31Å; L1114-I1232 WeakPolarHBondContact O-CA 3.48Å; I1115-I1232 HydrophobicContact CG1-CG1 4.08Å; I1115-I1232 HydrophobicContact CG1-CG2 4.12Å; I1115-I1232 HydrophobicContact CG2-CG1 4.27Å; L1126-I1232 HydrophobicContact CD1-CD1 4.47Å; L1126-I1232 HydrophobicContact CD1-CG1 4.32Å; L1126-I1232 HydrophobicContact CD2-CD1 4.31Å; M1216-I1232 HydrophobicContact CE-CB 4.24Å; M1216-I1232 HydrophobicContact CE-CD1 3.22Å; M1216-I1232 HydrophobicContact CE-CG1 3.93Å; M1216-I1232 HydrophobicContact SD-CD1 3.8Å; V1230-I1232 HydrophobicContact CG1-CB 4.24Å; V1230-I1232 PolarHBondContact O-N 3.45Å
1233	F	73.2	Confident	63.3	Low	1 Å²	1	53.3 Å²	53.3	0%	0.004	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	0	-175.2	-65.5	-92	0	0	0	108.4	A1113 L1114 L1116 L1229 V1230 F1256 V1261 I1263	A1113-F1233 CarbonylContact C-O 3.59Å; A1113-F1233 VanDerWaalsContact C-O 3.28Å; A1113-F1233 WeakPolarHBondContact CA-O 2.7Å; L1114-F1233 HydrophobicContact CB-CB 4.15Å; L1114-F1233 PolarHBondContact N-O 3.27Å; L1114-F1233 PolarHBondContact O-N 3.31Å; L1116-F1233 HydrophobicContact CD1-CD2 4.14Å; L1116-F1233 HydrophobicContact CD1-CE2 3.44Å; L1116-F1233 VanDerWaalsContact CD1-CE2 3.44Å; L1116-F1233 HydrophobicContact CD1-CZ 4.35Å; L1116-F1233 HydrophobicContact CG-CD2 4.37Å; L1116-F1233 HydrophobicContact CG-CE2 4.08Å; L1229-F1233 HydrophobicContact CD2-CE1 4.46Å; V1230-F1233 VanDerWaalsContact O-CE2 3.28Å; V1230-F1233 WeakPolarHBondContact O-CE2 3.04Å; V1230-F1233 WeakPolarHBondContact O-CZ 3.49Å; F1233-F1256 HydrophobicContact CB-CD1 3.7Å; F1233-F1256 HydrophobicContact CB-CD2 4.34Å; F1233-F1256 HydrophobicContact CB-CE1 3.05Å; F1233-F1256 HydrophobicContact CB-CE2 3.8Å; F1233-F1256 HydrophobicContact CB-CG 4.29Å; F1233-F1256 HydrophobicContact CB-CZ 3.12Å; F1233-F1256 HydrophobicContact CD1-CD1 4.21Å; F1233-F1256 AromaticContact CD1-CD2 3.88Å; F1233-F1256 HydrophobicContact CD1-CD2 3.88Å; F1233-F1256 HydrophobicContact CD1-CE1 4.28Å; F1233-F1256 AromaticContact CD1-CE2 3.95Å; F1233-F1256 HydrophobicContact CD1-CE2 3.95Å; F1233-F1256 HydrophobicContact CD1-CG 4.02Å; F1233-F1256 HydrophobicContact CD1-CZ 4.15Å; F1233-F1256 HydrophobicContact CD2-CZ 4.48Å; F1233-F1256 HydrophobicContact CG-CD1 4.38Å; F1233-F1256 HydrophobicContact CG-CD2 4.27Å; F1233-F1256 AromaticContact CG-CE1 3.99Å; F1233-F1256 HydrophobicContact CG-CE1 3.99Å; F1233-F1256 AromaticContact CG-CE2 3.87Å; F1233-F1256 HydrophobicContact CG-CE2 3.87Å; F1233-F1256 AromaticContact CG-CZ 3.72Å; F1233-F1256 HydrophobicContact CG-CZ 3.72Å; F1233-V1261 HydrophobicContact CE1-CB 4.14Å; F1233-V1261 HydrophobicContact CE1-CG1 3.99Å; F1233-V1261 HydrophobicContact CE1-CG2 4.23Å; F1233-V1261 HydrophobicContact CZ-CG1 4.31Å; F1233-I1263 HydrophobicContact CD1-CD1 4.24Å; F1233-I1263 HydrophobicContact CD2-CD1 3.7Å; F1233-I1263 HydrophobicContact CE1-CD1 4.14Å; F1233-I1263 HydrophobicContact CE2-CD1 3.57Å; F1233-I1263 HydrophobicContact CG-CD1 4.04Å; F1233-I1263 HydrophobicContact CZ-CD1 3.79Å
1234	P	74.9	Confident	65.4	Low	53 Å²	53	58.3 Å²	58.3	34%	0.344	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)		0	133	0	13.5	-13.3	0	0	0	111.6	I1236 F1256	P1234-I1236 PolarHBondContact O-N 3.37Å; P1234-I1236 VanDerWaalsContact O-N 3.13Å; P1234-F1256 WeakPolarHBondContact O-CD1 2.97Å; P1234-F1256 VanDerWaalsContact O-CE1 3.27Å; P1234-F1256 WeakPolarHBondContact O-CE1 3.42Å
1235	L	76.1	Confident	67.5	Low	2 Å²	2	56.9 Å²	56.9	1%	0.01	32%	0.318	C	S	.	.			trans	-80.4	0	-176.9	-70.8	176	0	0	0	109.3	L1109 N1112 L1114 V1238 F1256 I1280 N1283 S1284	L1109-L1235 HydrophobicContact CD1-CD1 3.68Å; L1109-L1235 HydrophobicContact CD1-CD2 4.14Å; L1109-L1235 HydrophobicContact CD1-CG 4.42Å; N1112-L1235 PolarHBondContact O-N 3.43Å; L1114-L1235 HydrophobicContact CB-CD2 4.28Å; L1235-V1238 VanDerWaalsContact C-CG2 3.43Å; L1235-V1238 VanDerWaalsContact CA-CG2 3.41Å; L1235-V1238 HydrophobicContact CB-CG2 4.43Å; L1235-V1238 HydrophobicContact CD2-CG2 4.32Å; L1235-F1256 HydrophobicContact CD2-CE1 4.4Å; L1235-I1280 HydrophobicContact CD2-CG1 4.29Å; L1235-I1280 HydrophobicContact CD2-CG2 4.02Å; L1235-N1283 HydrophobicContact CD1-CB 4.1Å; L1235-S1284 WeakPolarHBondContact O-CA 3.36Å
1236	I	73.4	Confident	69.2	Low	80 Å²	80	62.3 Å²	62.3	41%	0.41	33%	0.329	S	S	.	.	B	Isolated β-bridge		0	126.5	0	-85.3	151.8	0	0	0	109.2	P1234	P1234-I1236 PolarHBondContact O-N 3.37Å; P1234-I1236 VanDerWaalsContact O-N 3.13Å
1237	D	72.9	Confident	71	Confident	29 Å²	29	63.7 Å²	63.7	16%	0.155	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	0	179.3	-69.9	-21	0	0	0	111	M1257 V1285 T1287	D1237-M1257 HydrophobicContact CB-CB 4Å; D1237-M1257 HydrophobicContact CB-CG 4.46Å; D1237-M1257 WeakPolarHBondContact O-CB 2.95Å; D1237-M1257 WeakPolarHBondContact O-CG 2.88Å; D1237-M1257 PolarHBondContact O-N 3.23Å; D1237-V1285 PolarHBondContact N-O 3.4Å; D1237-T1287 PolarHBondContact OD1-OG1 3.16Å; D1237-T1287 PolarHBondContact OD2-OG1 3.41Å
1238	V	77.2	Confident	72.6	Confident	5 Å²	5	63.5 Å²	63.5	3%	0.03	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)		0	125.8	0	177.4	0	0	0	0	108.5	L1235 T1240 I1254 V1255 F1256 I1280	L1235-V1238 VanDerWaalsContact C-CG2 3.43Å; L1235-V1238 VanDerWaalsContact CA-CG2 3.41Å; L1235-V1238 HydrophobicContact CB-CG2 4.43Å; L1235-V1238 HydrophobicContact CD2-CG2 4.32Å; V1238-T1240 HydrophobicContact CG1-CG2 4.12Å; V1238-I1254 HydrophobicContact CG1-CB 4.49Å; V1238-I1254 HydrophobicContact CG1-CG2 3.11Å; V1238-V1255 CarbonylContact C-O 3.52Å; V1238-V1255 WeakPolarHBondContact CA-O 2.54Å; V1238-F1256 HydrophobicContact CB-CD1 4.46Å; V1238-F1256 HydrophobicContact CG1-CD1 4.42Å; V1238-F1256 HydrophobicContact CG1-CE1 4.29Å; V1238-F1256 HydrophobicContact CG2-CD1 3.35Å; V1238-F1256 HydrophobicContact CG2-CE1 3.46Å; V1238-F1256 VanDerWaalsContact CG2-CE1 3.46Å; V1238-F1256 HydrophobicContact CG2-CG 4.25Å; V1238-F1256 HydrophobicContact CG2-CZ 4.43Å; V1238-I1280 HydrophobicContact CB-CG2 4.39Å; V1238-I1280 HydrophobicContact CG1-CG2 3.9Å
1239	F	80.4	Confident	73.8	Confident	105 Å²	105	59.6 Å²	59.6	46%	0.461	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	128.4	172.2	-78.1	-84.6	0	0	0	110.3	I1254 V1255 M1257	F1239-I1254 CarbonylContact O-C 3.39Å; F1239-I1254 WeakPolarHBondContact O-CA 3.29Å; F1239-V1255 HydrophobicContact CB-CB 3.91Å; F1239-V1255 PolarHBondContact N-O 2.99Å; F1239-V1255 WeakPolarHBondContact O-CA 2.86Å; F1239-V1255 PolarHBondContact O-N 2.86Å; F1239-M1257 HydrophobicContact CB-CE 4.42Å; F1239-M1257 HydrophobicContact CD2-CE 2.57Å; F1239-M1257 HydrophobicContact CD2-CG 3.57Å; F1239-M1257 HydrophobicContact CD2-SD 3.82Å; F1239-M1257 HydrophobicContact CE2-CE 2.61Å; F1239-M1257 HydrophobicContact CE2-CG 3.69Å; F1239-M1257 HydrophobicContact CE2-SD 3.95Å; F1239-M1257 HydrophobicContact CG-CE 3.65Å; F1239-M1257 HydrophobicContact CZ-CE 3.71Å
1240	T	83.7	Confident	74.8	Confident	22 Å²	22	59.3 Å²	59.3	14%	0.135	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133.7	176.6	57.2	0	0	0	0	109.2	V1238 N1253 I1254 I1280	V1238-T1240 HydrophobicContact CG1-CG2 4.12Å; T1240-N1253 CarbonylContact C-O 3.43Å; T1240-N1253 VanDerWaalsContact C-O 3.22Å; T1240-N1253 WeakPolarHBondContact CA-O 3.01Å; T1240-I1254 HydrophobicContact CG2-CG1 4.13Å; T1240-I1254 HydrophobicContact CG2-CG2 4.24Å; T1240-I1280 HydrophobicContact CG2-CB 3.82Å; T1240-I1280 HydrophobicContact CG2-CD1 4.08Å; T1240-I1280 HydrophobicContact CG2-CG2 3.21Å
1241	S	83.3	Confident	75.7	Confident	57 Å²	57	56.5 Å²	56.5	40%	0.399	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	127.2	169	71.9	0	0	0	0	110.5	G1243 N1253	S1241-G1243 PolarHBondContact O-N 3.31Å; S1241-N1253 PolarHBondContact N-O 3.19Å; S1241-N1253 WeakPolarHBondContact O-CA 2.86Å; S1241-N1253 WeakPolarHBondContact O-CB 2.81Å; S1241-N1253 PolarHBondContact O-N 3.49Å; S1241-N1253 WeakPolarHBondContact OG-CB 2.96Å; S1241-N1253 PolarHBondContact OG-ND2 3.3Å
1242	C	82	Confident	76.4	Confident	65 Å²	65	56.2 Å²	56.2	44%	0.439	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	78.2	176	-68.5	0	0	0	0	110.5
1243	G	69.1	Low	77	Confident	14 Å²	14	55 Å²	55	14%	0.144	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-44.5	170.2	-180	0	0	0	0	0	112	S1241 L1251	S1241-G1243 PolarHBondContact O-N 3.31Å; G1243-L1251 PolarHBondContact N-O 2.94Å; G1243-L1251 VanDerWaalsContact N-O 3.16Å
1244	E	73.1	Confident	77.5	Confident	171 Å²	171	55 Å²	55	80%	0.799	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	145.6	179	-69.3	-177.6	172.4	0	0	111	F1246 L1251	E1244-F1246 PolarHBondContact O-N 3.48Å; E1244-F1246 VanDerWaalsContact O-N 3.13Å; E1244-L1251 VanDerWaalsContact O-CB 3.24Å; E1244-L1251 WeakPolarHBondContact O-CB 3.36Å
1245	K	74	Confident	77.8	Confident	134 Å²	134	54.7 Å²	54.7	58%	0.583	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.7	0	172.2	-94.4	-174.7	-177.1	180	0	111.4	H1250	K1245-H1250 WeakPolarHBondContact CE-CE1 2.45Å; K1245-H1250 WeakPolarHBondContact CE-ND1 2.33Å; K1245-H1250 WeakPolarHBondContact CG-ND1 2.45Å; K1245-H1250 PolarHBondContact NZ-CE1 3.42Å; K1245-H1250 VanDerWaalsContact NZ-CE1 3.32Å
1246	F	62.1	Low	77.9	Confident	158 Å²	158	54.8 Å²	54.8	69%	0.693	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)		0	106.5	0	-146.4	-96	0	0	0	109.7	E1244 D1249 L1266	E1244-F1246 PolarHBondContact O-N 3.48Å; E1244-F1246 VanDerWaalsContact O-N 3.13Å; F1246-D1249 PolarHBondContact N-O 3.33Å; F1246-D1249 VanDerWaalsContact N-O 3.15Å; F1246-D1249 PolarHBondContact O-N 2.98Å; F1246-L1266 HydrophobicContact CB-CD2 3.83Å
1247	G	74.3	Confident	77.9	Confident	74 Å²	74	55.4 Å²	55.4	76%	0.763	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	0	-170.4	0	0	0	0	0	111.4
1248	G	75.8	Confident	77.6	Confident	65 Å²	65	61.2 Å²	61.2	67%	0.67	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn		0	3.5	0	0	0	0	0	0	111
1249	D	78.8	Confident	77	Confident	66 Å²	66	63.9 Å²	63.9	35%	0.353	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	142.5	-173.5	-69.3	-20.4	0	0	0	109.6	F1246 L1266 F1267	F1246-D1249 PolarHBondContact N-O 3.33Å; F1246-D1249 VanDerWaalsContact N-O 3.15Å; F1246-D1249 PolarHBondContact O-N 2.98Å; D1249-L1266 HydrophobicContact CB-CB 3.98Å; D1249-L1266 HydrophobicContact CB-CD2 3.86Å; D1249-L1266 HydrophobicContact CB-CG 4.48Å; D1249-F1267 CarbonylContact C-O 3.49Å; D1249-F1267 VanDerWaalsContact C-O 3.28Å; D1249-F1267 WeakPolarHBondContact CA-O 2.98Å; D1249-F1267 WeakPolarHBondContact CB-O 1.38Å
1250	H	81.1	Confident	76.5	Confident	13 Å²	13	62.3 Å²	62.3	6%	0.06	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	122.6	-178.9	-59.2	-79.6	0	0	0	110.9	K1245 L1266 F1267 E1270 R1273	K1245-H1250 WeakPolarHBondContact CE-CE1 2.45Å; K1245-H1250 WeakPolarHBondContact CE-ND1 2.33Å; K1245-H1250 WeakPolarHBondContact CG-ND1 2.45Å; K1245-H1250 PolarHBondContact NZ-CE1 3.42Å; K1245-H1250 VanDerWaalsContact NZ-CE1 3.32Å; H1250-L1266 CarbonylContact O-C 3.45Å; H1250-F1267 HydrophobicContact CB-CB 4.4Å; H1250-F1267 PolarHBondContact N-O 2.91Å; H1250-F1267 PolarHBondContact O-N 3.27Å; H1250-E1270 WeakPolarHBondContact CD2-CA 2.53Å; H1250-E1270 PolarHBondContact CD2-N 3.42Å; H1250-E1270 WeakPolarHBondContact NE2-CB 3.34Å; H1250-E1270 PolarHBondContact NE2-N 2.93Å; H1250-R1273 HydrophobicContact CB-CB 4.07Å; H1250-R1273 HydrophobicContact CB-CG 4.38Å
1251	L	82.5	Confident	75.7	Confident	18 Å²	18	61.3 Å²	61.3	9%	0.094	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	131	-171.4	178.2	71.1	0	0	0	109.8	G1243 E1244 R1264 L1265 L1266 R1273	G1243-L1251 PolarHBondContact N-O 2.94Å; G1243-L1251 VanDerWaalsContact N-O 3.16Å; E1244-L1251 VanDerWaalsContact O-CB 3.24Å; E1244-L1251 WeakPolarHBondContact O-CB 3.36Å; L1251-R1264 HydrophobicContact CD1-CB 3.46Å; L1251-R1264 VanDerWaalsContact CD1-CB 3.46Å; L1251-R1264 HydrophobicContact CD1-CG 4.06Å; L1251-L1265 CarbonylContact C-O 3.57Å; L1251-L1265 WeakPolarHBondContact CA-O 3.26Å; L1251-L1266 HydrophobicContact CB-CD2 4.38Å; L1251-L1266 HydrophobicContact CD1-CD2 4.03Å; L1251-L1266 HydrophobicContact CD1-CG 4.36Å; L1251-R1273 VanDerWaalsContact O-CD 3.23Å; L1251-R1273 WeakPolarHBondContact O-CD 3.1Å
1252	L	84.5	Confident	75.5	Confident	0 Å²	0	60 Å²	60	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	0	169.3	177.9	66.4	0	0	0	109.6	I1254 L1265 F1267 R1273 W1276 I1280	L1252-I1254 HydrophobicContact CD2-CD1 4.18Å; L1252-I1254 HydrophobicContact CD2-CG1 4.21Å; L1252-I1254 HydrophobicContact CG-CG1 4.09Å; L1252-L1265 PolarHBondContact N-O 3.2Å; L1252-L1265 PolarHBondContact O-N 3.44Å; L1252-F1267 HydrophobicContact CB-CD2 4.13Å; L1252-F1267 HydrophobicContact CB-CE2 3.67Å; L1252-F1267 HydrophobicContact CD2-CE2 3.88Å; L1252-F1267 HydrophobicContact CD2-CZ 4.26Å; L1252-F1267 HydrophobicContact CG-CE2 4.45Å; L1252-R1273 HydrophobicContact CB-CG 3.85Å; L1252-R1273 HydrophobicContact CD1-CG 4.43Å; L1252-W1276 HydrophobicContact CD2-CB 3.86Å; L1252-I1280 HydrophobicContact CD2-CD1 4.18Å
1253	N	83.6	Confident	75.1	Confident	24 Å²	24	56.9 Å²	56.9	13%	0.128	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)		0	119	0	-67.7	-36.4	0	0	0	110.7	T1240 S1241 L1262 R1264	T1240-N1253 CarbonylContact C-O 3.43Å; T1240-N1253 VanDerWaalsContact C-O 3.22Å; T1240-N1253 WeakPolarHBondContact CA-O 3.01Å; S1241-N1253 PolarHBondContact N-O 3.19Å; S1241-N1253 WeakPolarHBondContact O-CA 2.86Å; S1241-N1253 WeakPolarHBondContact O-CB 2.81Å; S1241-N1253 PolarHBondContact O-N 3.49Å; S1241-N1253 WeakPolarHBondContact OG-CB 2.96Å; S1241-N1253 PolarHBondContact OG-ND2 3.3Å; N1253-L1262 HydrophobicContact CB-CD1 3.89Å; N1253-R1264 WeakPolarHBondContact OD1-CG 2.88Å
1254	I	84.3	Confident	75.5	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	0	176.2	-56	171.8	0	0	0	108.9	L1114 V1238 F1239 T1240 L1252 F1256 L1262 I1263 L1265 I1280	L1114-I1254 HydrophobicContact CD2-CD1 4.06Å; V1238-I1254 HydrophobicContact CG1-CB 4.49Å; V1238-I1254 HydrophobicContact CG1-CG2 3.11Å; F1239-I1254 CarbonylContact O-C 3.39Å; F1239-I1254 WeakPolarHBondContact O-CA 3.29Å; T1240-I1254 HydrophobicContact CG2-CG1 4.13Å; T1240-I1254 HydrophobicContact CG2-CG2 4.24Å; L1252-I1254 HydrophobicContact CD2-CD1 4.18Å; L1252-I1254 HydrophobicContact CD2-CG1 4.21Å; L1252-I1254 HydrophobicContact CG-CG1 4.09Å; I1254-F1256 HydrophobicContact CB-CE2 4.19Å; I1254-F1256 HydrophobicContact CG2-CD2 4.08Å; I1254-F1256 HydrophobicContact CG2-CE1 4.4Å; I1254-F1256 HydrophobicContact CG2-CE2 3.42Å; I1254-F1256 VanDerWaalsContact CG2-CE2 3.42Å; I1254-F1256 HydrophobicContact CG2-CZ 3.61Å; I1254-L1262 WeakPolarHBondContact O-CA 3.09Å; I1254-I1263 HydrophobicContact CB-CB 4.25Å; I1254-I1263 PolarHBondContact N-O 3.04Å; I1254-I1263 PolarHBondContact O-N 3.32Å; I1254-L1265 HydrophobicContact CD1-CD1 3.52Å; I1254-L1265 HydrophobicContact CD1-CG 4.25Å; I1254-I1280 HydrophobicContact CD1-CD1 3.5Å; I1254-I1280 HydrophobicContact CG1-CD1 4.02Å
1255	V	81.6	Confident	75.7	Confident	47 Å²	47	50.9 Å²	50.9	29%	0.285	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)		0	113.8	0	179.5	0	0	0	0	107.5	V1238 F1239 M1257 L1262	V1238-V1255 CarbonylContact C-O 3.52Å; V1238-V1255 WeakPolarHBondContact CA-O 2.54Å; F1239-V1255 HydrophobicContact CB-CB 3.91Å; F1239-V1255 PolarHBondContact N-O 2.99Å; F1239-V1255 WeakPolarHBondContact O-CA 2.86Å; F1239-V1255 PolarHBondContact O-N 2.86Å; V1255-M1257 HydrophobicContact CG1-SD 4.29Å; V1255-L1262 HydrophobicContact CG2-CD1 3.66Å
1256	F	79.1	Confident	75.8	Confident	3 Å²	3	45.6 Å²	45.6	1%	0.013	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	114.4	174.8	-65.7	-93.3	0	0	0	109.7	L1114 F1233 P1234 L1235 V1238 I1254 Q1259 T1260 V1261 I1263	L1114-F1256 HydrophobicContact CB-CZ 4.22Å; L1114-F1256 HydrophobicContact CD2-CE2 4.24Å; L1114-F1256 HydrophobicContact CD2-CZ 3.83Å; F1233-F1256 HydrophobicContact CB-CD1 3.7Å; F1233-F1256 HydrophobicContact CB-CD2 4.34Å; F1233-F1256 HydrophobicContact CB-CE1 3.05Å; F1233-F1256 HydrophobicContact CB-CE2 3.8Å; F1233-F1256 HydrophobicContact CB-CG 4.29Å; F1233-F1256 HydrophobicContact CB-CZ 3.12Å; F1233-F1256 HydrophobicContact CD1-CD1 4.21Å; F1233-F1256 AromaticContact CD1-CD2 3.88Å; F1233-F1256 HydrophobicContact CD1-CD2 3.88Å; F1233-F1256 HydrophobicContact CD1-CE1 4.28Å; F1233-F1256 AromaticContact CD1-CE2 3.95Å; F1233-F1256 HydrophobicContact CD1-CE2 3.95Å; F1233-F1256 HydrophobicContact CD1-CG 4.02Å; F1233-F1256 HydrophobicContact CD1-CZ 4.15Å; F1233-F1256 HydrophobicContact CD2-CZ 4.48Å; F1233-F1256 HydrophobicContact CG-CD1 4.38Å; F1233-F1256 HydrophobicContact CG-CD2 4.27Å; F1233-F1256 AromaticContact CG-CE1 3.99Å; F1233-F1256 HydrophobicContact CG-CE1 3.99Å; F1233-F1256 AromaticContact CG-CE2 3.87Å; F1233-F1256 HydrophobicContact CG-CE2 3.87Å; F1233-F1256 AromaticContact CG-CZ 3.72Å; F1233-F1256 HydrophobicContact CG-CZ 3.72Å; P1234-F1256 WeakPolarHBondContact O-CD1 2.97Å; P1234-F1256 VanDerWaalsContact O-CE1 3.27Å; P1234-F1256 WeakPolarHBondContact O-CE1 3.42Å; L1235-F1256 HydrophobicContact CD2-CE1 4.4Å; V1238-F1256 HydrophobicContact CB-CD1 4.46Å; V1238-F1256 HydrophobicContact CG1-CD1 4.42Å; V1238-F1256 HydrophobicContact CG1-CE1 4.29Å; V1238-F1256 HydrophobicContact CG2-CD1 3.35Å; V1238-F1256 HydrophobicContact CG2-CE1 3.46Å; V1238-F1256 VanDerWaalsContact CG2-CE1 3.46Å; V1238-F1256 HydrophobicContact CG2-CG 4.25Å; V1238-F1256 HydrophobicContact CG2-CZ 4.43Å; I1254-F1256 HydrophobicContact CB-CE2 4.19Å; I1254-F1256 HydrophobicContact CG2-CD2 4.08Å; I1254-F1256 HydrophobicContact CG2-CE1 4.4Å; I1254-F1256 HydrophobicContact CG2-CE2 3.42Å; I1254-F1256 VanDerWaalsContact CG2-CE2 3.42Å; I1254-F1256 HydrophobicContact CG2-CZ 3.61Å; F1256-Q1259 HydrophobicContact CB-CB 4.37Å; F1256-T1260 VanDerWaalsContact O-CA 3.31Å; F1256-T1260 WeakPolarHBondContact O-CA 3.08Å; F1256-T1260 PolarHBondContact O-N 3.13Å; F1256-V1261 PolarHBondContact N-O 3.46Å; F1256-V1261 PolarHBondContact O-N 2.69Å; F1256-I1263 HydrophobicContact CD2-CD1 3.97Å; F1256-I1263 HydrophobicContact CD2-CG1 4.34Å; F1256-I1263 HydrophobicContact CE2-CB 4.47Å; F1256-I1263 HydrophobicContact CE2-CD1 3.25Å; F1256-I1263 HydrophobicContact CE2-CG1 3.95Å; F1256-I1263 HydrophobicContact CZ-CD1 4.12Å
1257	M	72.2	Confident	76.5	Confident	93 Å²	93	38.1 Å²	38.1	46%	0.458	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-35.5	-169.2	-69.5	-69.1	-165.7	0	0	109.9	D1237 F1239 V1255	D1237-M1257 HydrophobicContact CB-CB 4Å; D1237-M1257 HydrophobicContact CB-CG 4.46Å; D1237-M1257 WeakPolarHBondContact O-CB 2.95Å; D1237-M1257 WeakPolarHBondContact O-CG 2.88Å; D1237-M1257 PolarHBondContact O-N 3.23Å; F1239-M1257 HydrophobicContact CB-CE 4.42Å; F1239-M1257 HydrophobicContact CD2-CE 2.57Å; F1239-M1257 HydrophobicContact CD2-CG 3.57Å; F1239-M1257 HydrophobicContact CD2-SD 3.82Å; F1239-M1257 HydrophobicContact CE2-CE 2.61Å; F1239-M1257 HydrophobicContact CE2-CG 3.69Å; F1239-M1257 HydrophobicContact CE2-SD 3.95Å; F1239-M1257 HydrophobicContact CG-CE 3.65Å; F1239-M1257 HydrophobicContact CZ-CE 3.71Å; V1255-M1257 HydrophobicContact CG1-SD 4.29Å
1258	K	67.1	Low	76.6	Confident	151 Å²	151	38.5 Å²	38.5	66%	0.657	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	0	-177.2	-91.1	-170.2	-178.4	178.9	0	111.2
1259	Q	65.2	Low	76.8	Confident	62 Å²	62	41.7 Å²	41.7	29%	0.29	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn		0	0	0	-68.9	153.8	7.2	0	0	110.5	F1256 V1261	F1256-Q1259 HydrophobicContact CB-CB 4.37Å; Q1259-V1261 VanDerWaalsContact C-N 3.25Å; Q1259-V1261 HydrophobicContact CB-CB 4.47Å; Q1259-V1261 HydrophobicContact CB-CG2 3.82Å; Q1259-V1261 WeakPolarHBondContact O-CG2 3.31Å; Q1259-V1261 PolarHBondContact O-N 3.28Å
1260	T	69.7	Low	77	Confident	71 Å²	71	42.4 Å²	42.4	44%	0.436	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn		0	0	0	53.3	0	0	0	0	110.8	F1256	F1256-T1260 VanDerWaalsContact O-CA 3.31Å; F1256-T1260 WeakPolarHBondContact O-CA 3.08Å; F1256-T1260 PolarHBondContact O-N 3.13Å
1261	V	67	Low	77	Confident	2 Å²	2	47 Å²	47	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)		0	128.4	0	174.5	0	0	0	0	108.3	V1083 L1229 F1233 F1256 Q1259 I1263	V1083-V1261 HydrophobicContact CG1-CG1 3.8Å; L1229-V1261 HydrophobicContact CD2-CB 4.19Å; L1229-V1261 HydrophobicContact CD2-CG1 4.08Å; L1229-V1261 HydrophobicContact CD2-CG2 3.08Å; F1233-V1261 HydrophobicContact CE1-CB 4.14Å; F1233-V1261 HydrophobicContact CE1-CG1 3.99Å; F1233-V1261 HydrophobicContact CE1-CG2 4.23Å; F1233-V1261 HydrophobicContact CZ-CG1 4.31Å; F1256-V1261 PolarHBondContact N-O 3.46Å; F1256-V1261 PolarHBondContact O-N 2.69Å; Q1259-V1261 VanDerWaalsContact C-N 3.25Å; Q1259-V1261 HydrophobicContact CB-CB 4.47Å; Q1259-V1261 HydrophobicContact CB-CG2 3.82Å; Q1259-V1261 WeakPolarHBondContact O-CG2 3.31Å; Q1259-V1261 PolarHBondContact O-N 3.28Å; V1261-I1263 HydrophobicContact CG1-CG1 3.84Å
1262	L	77.7	Confident	76.9	Confident	29 Å²	29	49.5 Å²	49.5	15%	0.152	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	117.8	169.9	170.8	67.8	0	0	0	110.4	V1083 D1084 N1253 I1254 V1255 R1264	V1083-L1262 WeakPolarHBondContact CA-O 3.36Å; D1084-L1262 HydrophobicContact CB-CD2 4.3Å; D1084-L1262 WeakPolarHBondContact O-CB 2.99Å; N1253-L1262 HydrophobicContact CB-CD1 3.89Å; I1254-L1262 WeakPolarHBondContact O-CA 3.09Å; V1255-L1262 HydrophobicContact CG2-CD1 3.66Å; L1262-R1264 HydrophobicContact CD2-CG 4.39Å; L1262-R1264 HydrophobicContact CG-CG 4.23Å
1263	I	75.2	Confident	76.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.5	176.6	-64.3	177.4	0	0	0	108.3	V1081 L1114 L1116 F1233 I1254 F1256 V1261 L1265	V1081-I1263 HydrophobicContact CG1-CB 4.46Å; V1081-I1263 HydrophobicContact CG1-CG2 3.27Å; L1114-I1263 HydrophobicContact CD2-CD1 3.94Å; L1116-I1263 HydrophobicContact CD1-CD1 3.98Å; F1233-I1263 HydrophobicContact CD1-CD1 4.24Å; F1233-I1263 HydrophobicContact CD2-CD1 3.7Å; F1233-I1263 HydrophobicContact CE1-CD1 4.14Å; F1233-I1263 HydrophobicContact CE2-CD1 3.57Å; F1233-I1263 HydrophobicContact CG-CD1 4.04Å; F1233-I1263 HydrophobicContact CZ-CD1 3.79Å; I1254-I1263 HydrophobicContact CB-CB 4.25Å; I1254-I1263 PolarHBondContact N-O 3.04Å; I1254-I1263 PolarHBondContact O-N 3.32Å; F1256-I1263 HydrophobicContact CD2-CD1 3.97Å; F1256-I1263 HydrophobicContact CD2-CG1 4.34Å; F1256-I1263 HydrophobicContact CE2-CB 4.47Å; F1256-I1263 HydrophobicContact CE2-CD1 3.25Å; F1256-I1263 HydrophobicContact CE2-CG1 3.95Å; F1256-I1263 HydrophobicContact CZ-CD1 4.12Å; V1261-I1263 HydrophobicContact CG1-CG1 3.84Å; I1263-L1265 HydrophobicContact CG2-CD2 3.9Å; I1263-L1265 HydrophobicContact CG2-CG 3.93Å
1264	R	76.6	Confident	76.9	Confident	59 Å²	59	53.5 Å²	53.5	22%	0.223	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	110.5	177.1	-70.2	-177.6	-174.1	147.6	2.2	109.8	V1081 T1082 D1084 L1251 N1253 L1262	V1081-R1264 VanDerWaalsContact CA-O 3.31Å; V1081-R1264 WeakPolarHBondContact CA-O 3.42Å; T1082-R1264 PolarHBondContact N-O 2.96Å; T1082-R1264 PolarHBondContact O-N 2Å; T1082-R1264 VanDerWaalsContact O-N 3.13Å; T1082-R1264 VanDerWaalsContact OG1-CB 3.32Å; T1082-R1264 WeakPolarHBondContact OG1-CB 2.86Å; D1084-R1264 IonicContact OD2-CZ 2.95Å; D1084-R1264 IonicContact OD2-NE 2.35Å; D1084-R1264 IonicContact OD2-NH1 2.97Å; D1084-R1264 PolarHBondContact OD2-NH1 2.58Å; D1084-R1264 IonicContact OD2-NH2 3.75Å; L1251-R1264 HydrophobicContact CD1-CB 3.46Å; L1251-R1264 VanDerWaalsContact CD1-CB 3.46Å; L1251-R1264 HydrophobicContact CD1-CG 4.06Å; N1253-R1264 WeakPolarHBondContact OD1-CG 2.88Å; L1262-R1264 HydrophobicContact CD2-CG 4.39Å; L1262-R1264 HydrophobicContact CG-CG 4.23Å
1265	L	77.2	Confident	76.8	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.9	178.2	-62.7	175.1	0	0	0	110.3	A1079 V1081 A1107 L1251 L1252 I1254 I1263 F1267 W1276	A1079-L1265 HydrophobicContact CB-CD2 4.08Å; V1081-L1265 HydrophobicContact CB-CD2 4.07Å; V1081-L1265 HydrophobicContact CG1-CD2 4.1Å; V1081-L1265 HydrophobicContact CG2-CD2 3.02Å; V1081-L1265 HydrophobicContact CG2-CG 4.49Å; A1107-L1265 HydrophobicContact CB-CD2 4.46Å; L1251-L1265 CarbonylContact C-O 3.57Å; L1251-L1265 WeakPolarHBondContact CA-O 3.26Å; L1252-L1265 PolarHBondContact N-O 3.2Å; L1252-L1265 PolarHBondContact O-N 3.44Å; I1254-L1265 HydrophobicContact CD1-CD1 3.52Å; I1254-L1265 HydrophobicContact CD1-CG 4.25Å; I1263-L1265 HydrophobicContact CG2-CD2 3.9Å; I1263-L1265 HydrophobicContact CG2-CG 3.93Å; L1265-F1267 HydrophobicContact CB-CD2 4.34Å; L1265-F1267 HydrophobicContact CB-CE2 3.61Å; L1265-F1267 HydrophobicContact CB-CZ 4.2Å; L1265-F1267 HydrophobicContact CD1-CE2 4.4Å; L1265-F1267 HydrophobicContact CD1-CZ 4.29Å; L1265-W1276 HydrophobicContact CD1-CE3 4.12Å; L1265-W1276 HydrophobicContact CD1-CZ3 3.96Å
1266	L	76.9	Confident	77	Confident	22 Å²	22	55.1 Å²	55.1	12%	0.115	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127	178.1	-70	158.2	0	0	0	109.7	E1080 F1246 D1249 H1250 L1251	E1080-L1266 HydrophobicContact CB-CD1 3.65Å; F1246-L1266 HydrophobicContact CB-CD2 3.83Å; D1249-L1266 HydrophobicContact CB-CB 3.98Å; D1249-L1266 HydrophobicContact CB-CD2 3.86Å; D1249-L1266 HydrophobicContact CB-CG 4.48Å; H1250-L1266 CarbonylContact O-C 3.45Å; L1251-L1266 HydrophobicContact CB-CD2 4.38Å; L1251-L1266 HydrophobicContact CD1-CD2 4.03Å; L1251-L1266 HydrophobicContact CD1-CG 4.36Å
1267	F	76.6	Confident	77.2	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.009	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	139.6	177.3	-68.8	-94.9	0	0	0	110.2	V1076 D1249 H1250 L1252 L1265 E1272 R1273 W1276	V1076-F1267 HydrophobicContact CG2-CD1 4.36Å; V1076-F1267 HydrophobicContact CG2-CE1 3.62Å; V1076-F1267 HydrophobicContact CG2-CZ 4.33Å; D1249-F1267 CarbonylContact C-O 3.49Å; D1249-F1267 VanDerWaalsContact C-O 3.28Å; D1249-F1267 WeakPolarHBondContact CA-O 2.98Å; D1249-F1267 WeakPolarHBondContact CB-O 1.38Å; H1250-F1267 HydrophobicContact CB-CB 4.4Å; H1250-F1267 PolarHBondContact N-O 2.91Å; H1250-F1267 PolarHBondContact O-N 3.27Å; L1252-F1267 HydrophobicContact CB-CD2 4.13Å; L1252-F1267 HydrophobicContact CB-CE2 3.67Å; L1252-F1267 HydrophobicContact CD2-CE2 3.88Å; L1252-F1267 HydrophobicContact CD2-CZ 4.26Å; L1252-F1267 HydrophobicContact CG-CE2 4.45Å; L1265-F1267 HydrophobicContact CB-CD2 4.34Å; L1265-F1267 HydrophobicContact CB-CE2 3.61Å; L1265-F1267 HydrophobicContact CB-CZ 4.2Å; L1265-F1267 HydrophobicContact CD1-CE2 4.4Å; L1265-F1267 HydrophobicContact CD1-CZ 4.29Å; F1267-E1272 HydrophobicContact CD1-CB 3.92Å; F1267-R1273 HydrophobicContact CB-CB 3.86Å; F1267-R1273 HydrophobicContact CD2-CB 3.77Å; F1267-R1273 HydrophobicContact CD2-CG 3.94Å; F1267-R1273 HydrophobicContact CE2-CB 4.49Å; F1267-R1273 HydrophobicContact CE2-CG 4.44Å; F1267-R1273 HydrophobicContact CG-CB 3.85Å; F1267-W1276 HydrophobicContact CE1-CB 4.21Å; F1267-W1276 AromaticContact CE1-CD1 3.57Å; F1267-W1276 AromaticContact CE1-CD2 3.85Å; F1267-W1276 HydrophobicContact CE1-CD2 3.85Å; F1267-W1276 AromaticContact CE1-CE2 3.93Å; F1267-W1276 AromaticContact CE1-CG 3.62Å; F1267-W1276 HydrophobicContact CE1-CG 3.62Å; F1267-W1276 AromaticContact CE1-NE1 3.75Å; F1267-W1276 HydrophobicContact CZ-CB 3.79Å; F1267-W1276 AromaticContact CZ-CD1 3.98Å; F1267-W1276 AromaticContact CZ-CD2 3.59Å; F1267-W1276 HydrophobicContact CZ-CD2 3.59Å; F1267-W1276 AromaticContact CZ-CE3 3.97Å; F1267-W1276 HydrophobicContact CZ-CE3 3.97Å; F1267-W1276 AromaticContact CZ-CG 3.51Å; F1267-W1276 HydrophobicContact CZ-CG 3.51Å
1268	S	76.7	Confident	77.7	Confident	81 Å²	81	53.3 Å²	53.3	57%	0.566	27%	0.272	S	S	*	.	S	Bend	trans	-71.6	-29.8	178.5	42.5	0	0	0	0	110.6
1269	K	78.6	Confident	78.3	Confident	132 Å²	132	47.3 Å²	47.3	57%	0.574	25%	0.245	S	C	*	.	S	Bend	trans	-121.4	134.1	-177	-68.7	-178.4	-177	178	0	109.7	D1271 E1272 R1273	K1269-D1271 PolarHBondContact O-N 3.33Å; K1269-E1272 HydrophobicContact CB-CB 4.44Å; K1269-E1272 HydrophobicContact CB-CG 4.13Å; K1269-E1272 PolarHBondContact O-N 3.19Å; K1269-R1273 PolarHBondContact O-N 3.21Å
1270	E	83.1	Confident	79	Confident	82 Å²	82	44.4 Å²	44.4	38%	0.383	23%	0.231	S	C	.	.	H	α-helix	trans	-59.4	-33.1	-179.6	-176.7	169.6	-172.5	0	0	110.7	H1250 E1272 R1273 Q1274	H1250-E1270 WeakPolarHBondContact CD2-CA 2.53Å; H1250-E1270 PolarHBondContact CD2-N 3.42Å; H1250-E1270 WeakPolarHBondContact NE2-CB 3.34Å; H1250-E1270 PolarHBondContact NE2-N 2.93Å; E1270-E1272 VanDerWaalsContact C-N 3.28Å; E1270-E1272 PolarHBondContact O-N 2.86Å; E1270-R1273 PolarHBondContact O-N 3.18Å; E1270-R1273 IonicContact OE1-NH2 3.79Å; E1270-Q1274 HydrophobicContact CG-CG 4.39Å; E1270-Q1274 WeakPolarHBondContact O-CG 3.27Å; E1270-Q1274 PolarHBondContact O-N 3.39Å; E1270-Q1274 PolarHBondContact OE1-NE2 3.27Å
1271	D	82	Confident	79.5	Confident	108 Å²	108	46.6 Å²	46.6	58%	0.578	24%	0.237	S	C	*	.	H	α-helix	trans	-66.3	-36.8	-177.8	-69.5	-20.5	0	0	0	111.1	K1269 Q1274 N1275	K1269-D1271 PolarHBondContact O-N 3.33Å; D1271-Q1274 PolarHBondContact O-N 2.94Å; D1271-N1275 WeakPolarHBondContact O-CB 3.43Å; D1271-N1275 VanDerWaalsContact O-CG 3.26Å; D1271-N1275 PolarHBondContact O-N 3.38Å; D1271-N1275 PolarHBondContact O-ND2 3.18Å
1272	E	79.9	Confident	79.9	Confident	72 Å²	72	54 Å²	54	34%	0.336	27%	0.271	S	S	.	.	H	α-helix	trans	-69.6	-41.5	-179.7	-72.2	-179.7	177.4	0	0	111.3	F1267 K1269 E1270 Q1274 N1275 W1276	F1267-E1272 HydrophobicContact CD1-CB 3.92Å; K1269-E1272 HydrophobicContact CB-CB 4.44Å; K1269-E1272 HydrophobicContact CB-CG 4.13Å; K1269-E1272 PolarHBondContact O-N 3.19Å; E1270-E1272 VanDerWaalsContact C-N 3.28Å; E1270-E1272 PolarHBondContact O-N 2.86Å; E1272-Q1274 PolarHBondContact O-N 2.91Å; E1272-N1275 PolarHBondContact O-N 3.27Å; E1272-W1276 VanDerWaalsContact O-CD1 3.23Å; E1272-W1276 PolarHBondContact O-N 3.45Å
1273	R	85	Confident	79.5	Confident	23 Å²	23	53.6 Å²	53.6	9%	0.087	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-38.2	176.7	178.8	-163.1	75.6	-168.4	-1.2	110.6	H1250 L1251 L1252 F1267 K1269 E1270 W1276 S1277	H1250-R1273 HydrophobicContact CB-CB 4.07Å; H1250-R1273 HydrophobicContact CB-CG 4.38Å; L1251-R1273 VanDerWaalsContact O-CD 3.23Å; L1251-R1273 WeakPolarHBondContact O-CD 3.1Å; L1252-R1273 HydrophobicContact CB-CG 3.85Å; L1252-R1273 HydrophobicContact CD1-CG 4.43Å; F1267-R1273 HydrophobicContact CB-CB 3.86Å; F1267-R1273 HydrophobicContact CD2-CB 3.77Å; F1267-R1273 HydrophobicContact CD2-CG 3.94Å; F1267-R1273 HydrophobicContact CE2-CB 4.49Å; F1267-R1273 HydrophobicContact CE2-CG 4.44Å; F1267-R1273 HydrophobicContact CG-CB 3.85Å; K1269-R1273 PolarHBondContact O-N 3.21Å; E1270-R1273 PolarHBondContact O-N 3.18Å; E1270-R1273 IonicContact OE1-NH2 3.79Å; R1273-W1276 PolarHBondContact O-N 3.26Å; R1273-S1277 WeakPolarHBondContact O-CB 3.12Å; R1273-S1277 PolarHBondContact O-N 3.42Å
1274	Q	83.5	Confident	79	Confident	85 Å²	85	54.8 Å²	54.8	40%	0.397	28%	0.277	S	S	.	.	H	α-helix	trans	-71.2	-37.8	-178.1	-80.1	179	0.6	0	0	110.5	E1270 D1271 E1272 W1276 S1277 A1278	E1270-Q1274 HydrophobicContact CG-CG 4.39Å; E1270-Q1274 WeakPolarHBondContact O-CG 3.27Å; E1270-Q1274 PolarHBondContact O-N 3.39Å; E1270-Q1274 PolarHBondContact OE1-NE2 3.27Å; D1271-Q1274 PolarHBondContact O-N 2.94Å; E1272-Q1274 PolarHBondContact O-N 2.91Å; Q1274-W1276 VanDerWaalsContact C-N 3.32Å; Q1274-S1277 PolarHBondContact O-N 3.41Å; Q1274-A1278 WeakPolarHBondContact O-CB 3.26Å; Q1274-A1278 PolarHBondContact O-N 3.23Å
1275	N	82.3	Confident	78	Confident	77 Å²	77	55.3 Å²	55.3	41%	0.412	29%	0.287	S	S	.	.	H	α-helix	trans	-66.3	0	178.9	-77.3	-13.4	0	0	0	111.6	W1074 D1271 E1272 A1278 Y1279	W1074-N1275 HydrophobicContact CD2-CB 4.32Å; W1074-N1275 HydrophobicContact CE3-CB 3.77Å; W1074-N1275 VanDerWaalsContact CH2-CA 3.46Å; W1074-N1275 HydrophobicContact CH2-CB 2.06Å; W1074-N1275 WeakPolarHBondContact CH2-ND2 2.96Å; W1074-N1275 HydrophobicContact CZ2-CB 2.97Å; W1074-N1275 HydrophobicContact CZ3-CB 2.61Å; W1074-N1275 WeakPolarHBondContact CZ3-ND2 2.93Å; D1271-N1275 WeakPolarHBondContact O-CB 3.43Å; D1271-N1275 VanDerWaalsContact O-CG 3.26Å; D1271-N1275 PolarHBondContact O-N 3.38Å; D1271-N1275 PolarHBondContact O-ND2 3.18Å; E1272-N1275 PolarHBondContact O-N 3.27Å; N1275-A1278 PolarHBondContact O-N 3.43Å; N1275-Y1279 VanDerWaalsContact O-CB 3.26Å; N1275-Y1279 WeakPolarHBondContact O-CB 3.37Å; N1275-Y1279 PolarHBondContact O-N 3.13Å
1276	W	85	Confident	76.5	Confident	4 Å²	4	57.1 Å²	57.1	2%	0.015	30%	0.298	C	S	.	.	H	α-helix		0	0	0	-91.4	66.3	0	0	0	110.4	W1074 V1076 A1107 L1109 L1114 L1252 L1265 F1267 E1272 R1273 Q1274 A1278 Y1279 I1280	W1074-W1276 VanDerWaalsContact C-CZ2 3.42Å; W1074-W1276 HydrophobicContact CB-CD2 4.16Å; W1074-W1276 HydrophobicContact CB-CG 4.43Å; W1074-W1276 HydrophobicContact CB-CZ2 3.51Å; W1074-W1276 AromaticContact CD2-CD1 3.57Å; W1074-W1276 HydrophobicContact CD2-CG 4.49Å; W1074-W1276 AromaticContact CD2-NE1 3.64Å; W1074-W1276 AromaticContact CE3-CD1 2.76Å; W1074-W1276 AromaticContact CE3-CG 3.93Å; W1074-W1276 HydrophobicContact CE3-CG 3.93Å; W1074-W1276 AromaticContact CE3-NE1 3.02Å; W1074-W1276 AromaticContact CG-NE1 3.71Å; W1074-W1276 AromaticContact CZ3-CD1 3.52Å; W1074-W1276 WeakPolarHBondContact O-CZ2 3.22Å; V1076-W1276 HydrophobicContact CB-CZ2 4.21Å; V1076-W1276 HydrophobicContact CG2-CD2 4.48Å; V1076-W1276 HydrophobicContact CG2-CH2 3.94Å; V1076-W1276 HydrophobicContact CG2-CZ2 3.18Å; A1107-W1276 HydrophobicContact CB-CH2 4.08Å; L1109-W1276 HydrophobicContact CB-CE3 4.13Å; L1109-W1276 HydrophobicContact CB-CH2 3.59Å; L1109-W1276 HydrophobicContact CB-CZ2 4.08Å; L1109-W1276 HydrophobicContact CB-CZ3 3.61Å; L1109-W1276 HydrophobicContact CD1-CZ3 4.33Å; L1109-W1276 HydrophobicContact CD2-CD2 4.19Å; L1109-W1276 HydrophobicContact CD2-CE3 3.99Å; L1109-W1276 HydrophobicContact CD2-CZ3 4.33Å; L1109-W1276 HydrophobicContact CG-CE3 4.47Å; L1109-W1276 HydrophobicContact CG-CZ3 4.32Å; L1114-W1276 HydrophobicContact CD1-CH2 4.24Å; L1114-W1276 HydrophobicContact CD1-CZ3 3.68Å; L1252-W1276 HydrophobicContact CD2-CB 3.86Å; L1265-W1276 HydrophobicContact CD1-CE3 4.12Å; L1265-W1276 HydrophobicContact CD1-CZ3 3.96Å; F1267-W1276 HydrophobicContact CE1-CB 4.21Å; F1267-W1276 AromaticContact CE1-CD1 3.57Å; F1267-W1276 AromaticContact CE1-CD2 3.85Å; F1267-W1276 HydrophobicContact CE1-CD2 3.85Å; F1267-W1276 AromaticContact CE1-CE2 3.93Å; F1267-W1276 AromaticContact CE1-CG 3.62Å; F1267-W1276 HydrophobicContact CE1-CG 3.62Å; F1267-W1276 AromaticContact CE1-NE1 3.75Å; F1267-W1276 HydrophobicContact CZ-CB 3.79Å; F1267-W1276 AromaticContact CZ-CD1 3.98Å; F1267-W1276 AromaticContact CZ-CD2 3.59Å; F1267-W1276 HydrophobicContact CZ-CD2 3.59Å; F1267-W1276 AromaticContact CZ-CE3 3.97Å; F1267-W1276 HydrophobicContact CZ-CE3 3.97Å; F1267-W1276 AromaticContact CZ-CG 3.51Å; F1267-W1276 HydrophobicContact CZ-CG 3.51Å; E1272-W1276 VanDerWaalsContact O-CD1 3.23Å; E1272-W1276 PolarHBondContact O-N 3.45Å; R1273-W1276 PolarHBondContact O-N 3.26Å; Q1274-W1276 VanDerWaalsContact C-N 3.32Å; W1276-A1278 PolarHBondContact O-N 2.91Å; W1276-Y1279 PolarHBondContact O-N 2.86Å; W1276-I1280 HydrophobicContact CE3-CD1 4.4Å; W1276-I1280 VanDerWaalsContact O-CG1 3.27Å; W1276-I1280 WeakPolarHBondContact O-CG1 3.47Å; W1276-I1280 PolarHBondContact O-N 3.38Å
1277	S	83.7	Confident	74.5	Confident	7 Å²	7	59.6 Å²	59.6	5%	0.049	31%	0.314	C	S	.	.	H	α-helix		0	-36.9	0	176.8	0	0	0	0	110.4	R1273 Q1274 Y1279 Q1281	R1273-S1277 WeakPolarHBondContact O-CB 3.12Å; R1273-S1277 PolarHBondContact O-N 3.42Å; Q1274-S1277 PolarHBondContact O-N 3.41Å; S1277-Y1279 VanDerWaalsContact C-N 3.35Å; S1277-Q1281 VanDerWaalsContact O-CB 3.29Å; S1277-Q1281 WeakPolarHBondContact O-CB 3.46Å; S1277-Q1281 WeakPolarHBondContact O-CG 3.29Å; S1277-Q1281 PolarHBondContact O-N 3.4Å
1278	A	83	Confident	72.8	Confident	50 Å²	50	65.6 Å²	65.6	41%	0.413	34%	0.343	S	S	.	.	H	α-helix	trans	-72	-38.3	-178.9	0	0	0	0	0	110.6	Q1274 N1275 W1276 Q1281 E1282	Q1274-A1278 WeakPolarHBondContact O-CB 3.26Å; Q1274-A1278 PolarHBondContact O-N 3.23Å; N1275-A1278 PolarHBondContact O-N 3.43Å; W1276-A1278 PolarHBondContact O-N 2.91Å; A1278-Q1281 PolarHBondContact O-N 3.08Å; A1278-E1282 WeakPolarHBondContact O-CB 3.21Å; A1278-E1282 PolarHBondContact O-N 3.5Å
1279	Y	79.1	Confident	70.9	Confident	26 Å²	26	63.3 Å²	63.3	10%	0.102	33%	0.327	C	S	.	.	H	α-helix	trans	-66.4	-46.7	179.7	-176.9	-94.4	0	0	0	111.3	H1073 L1109 L1110 H1111 N1275 W1276 S1277 Q1281 E1282 N1283	H1073-Y1279 AromaticContact CD2-CE1 3.45Å; H1073-Y1279 VanDerWaalsContact CD2-CE1 3.45Å; H1073-Y1279 WeakPolarHBondContact CD2-CE1 3.45Å; H1073-Y1279 AromaticContact CD2-CZ 3.3Å; H1073-Y1279 PolarHBondContact CD2-OH 3.47Å; H1073-Y1279 PolarHBondContact CE1-OH 2.38Å; H1073-Y1279 AromaticContact NE2-CZ 3.69Å; H1073-Y1279 PolarHBondContact NE2-OH 3.43Å; L1109-Y1279 HydrophobicContact CD1-CD1 4.03Å; L1109-Y1279 HydrophobicContact CD1-CE1 4.09Å; L1109-Y1279 HydrophobicContact CD2-CD1 2.63Å; L1109-Y1279 HydrophobicContact CD2-CE1 3.24Å; L1109-Y1279 HydrophobicContact CD2-CG 3.43Å; L1109-Y1279 VanDerWaalsContact CD2-CG 3.43Å; L1109-Y1279 HydrophobicContact CG-CD1 3.3Å; L1109-Y1279 HydrophobicContact CG-CE1 3.29Å; L1109-Y1279 HydrophobicContact CG-CG 4.43Å; L1110-Y1279 VanDerWaalsContact O-CE1 3.25Å; L1110-Y1279 WeakPolarHBondContact O-CE1 3.4Å; L1110-Y1279 PolarHBondContact O-OH 3.44Å; H1111-Y1279 WeakPolarHBondContact CA-OH 3.42Å; H1111-Y1279 PolarHBondContact N-OH 2.68Å; H1111-Y1279 VanDerWaalsContact N-OH 3.15Å; N1275-Y1279 VanDerWaalsContact O-CB 3.26Å; N1275-Y1279 WeakPolarHBondContact O-CB 3.37Å; N1275-Y1279 PolarHBondContact O-N 3.13Å; W1276-Y1279 PolarHBondContact O-N 2.86Å; S1277-Y1279 VanDerWaalsContact C-N 3.35Å; Y1279-Q1281 VanDerWaalsContact C-N 3.26Å; Y1279-Q1281 PolarHBondContact O-N 2.88Å; Y1279-E1282 WeakPolarHBondContact O-CB 3.5Å; Y1279-E1282 PolarHBondContact O-N 2.99Å; Y1279-N1283 WeakPolarHBondContact CD1-ND2 3.37Å; Y1279-N1283 WeakPolarHBondContact CE1-ND2 3.12Å; Y1279-N1283 WeakPolarHBondContact CE2-ND2 3.22Å; Y1279-N1283 PolarHBondContact O-N 3.49Å; Y1279-N1283 VanDerWaalsContact O-N 3.08Å; Y1279-N1283 PolarHBondContact O-ND2 3.17Å; Y1279-N1283 PolarHBondContact OH-ND2 2.06Å
1280	I	80.7	Confident	68.8	Low	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-66.9	0	-177.3	-68.8	173.6	0	0	0	109.3	L1109 L1235 V1238 T1240 L1252 I1254 W1276 E1282 N1283 S1284	L1109-I1280 HydrophobicContact CD1-CD1 4.29Å; L1109-I1280 HydrophobicContact CD1-CG1 3.74Å; L1109-I1280 HydrophobicContact CD2-CG1 4.07Å; L1235-I1280 HydrophobicContact CD2-CG1 4.29Å; L1235-I1280 HydrophobicContact CD2-CG2 4.02Å; V1238-I1280 HydrophobicContact CB-CG2 4.39Å; V1238-I1280 HydrophobicContact CG1-CG2 3.9Å; T1240-I1280 HydrophobicContact CG2-CB 3.82Å; T1240-I1280 HydrophobicContact CG2-CD1 4.08Å; T1240-I1280 HydrophobicContact CG2-CG2 3.21Å; L1252-I1280 HydrophobicContact CD2-CD1 4.18Å; I1254-I1280 HydrophobicContact CD1-CD1 3.5Å; I1254-I1280 HydrophobicContact CG1-CD1 4.02Å; W1276-I1280 HydrophobicContact CE3-CD1 4.4Å; W1276-I1280 VanDerWaalsContact O-CG1 3.27Å; W1276-I1280 WeakPolarHBondContact O-CG1 3.47Å; W1276-I1280 PolarHBondContact O-N 3.38Å; I1280-E1282 PolarHBondContact O-N 3.02Å; I1280-N1283 CarbonylContact O-C 3.54Å; I1280-N1283 PolarHBondContact O-N 3.19Å; I1280-N1283 VanDerWaalsContact O-N 3.15Å; I1280-S1284 WeakPolarHBondContact O-CA 3.25Å; I1280-S1284 WeakPolarHBondContact O-CB 3.28Å; I1280-S1284 PolarHBondContact O-N 3.33Å; I1280-S1284 PolarHBondContact O-OG 3.23Å
1281	Q	79.6	Confident	66.3	Low	117 Å²	117	62 Å²	62	55%	0.547	33%	0.327	S	S	.	.	H	α-helix		0	0	0	-78	178.6	-8.4	0	0	110.7	S1277 A1278 Y1279 N1283 S1284	S1277-Q1281 VanDerWaalsContact O-CB 3.29Å; S1277-Q1281 WeakPolarHBondContact O-CB 3.46Å; S1277-Q1281 WeakPolarHBondContact O-CG 3.29Å; S1277-Q1281 PolarHBondContact O-N 3.4Å; A1278-Q1281 PolarHBondContact O-N 3.08Å; Y1279-Q1281 VanDerWaalsContact C-N 3.26Å; Y1279-Q1281 PolarHBondContact O-N 2.88Å; Q1281-N1283 VanDerWaalsContact C-N 3.27Å; Q1281-N1283 PolarHBondContact O-N 2.93Å; Q1281-S1284 VanDerWaalsContact CA-OG 3.31Å; Q1281-S1284 WeakPolarHBondContact CA-OG 3.3Å; Q1281-S1284 PolarHBondContact O-OG 2.75Å
1282	E	75.2	Confident	63.9	Low	158 Å²	158	62 Å²	62	74%	0.738	32%	0.319	S	S	*	.	H	α-helix		0	0	0	-167.1	177.9	174.3	0	0	110.7	A1278 Y1279 I1280	A1278-E1282 WeakPolarHBondContact O-CB 3.21Å; A1278-E1282 PolarHBondContact O-N 3.5Å; Y1279-E1282 WeakPolarHBondContact O-CB 3.5Å; Y1279-E1282 PolarHBondContact O-N 2.99Å; I1280-E1282 PolarHBondContact O-N 3.02Å
1283	N	69	Low	61.8	Low	21 Å²	21	66.5 Å²	66.5	11%	0.112	34%	0.34	C	S	.	.	H	α-helix		0	0	0	-75.8	-35.8	0	0	0	110.5	H1111 L1235 Y1279 I1280 Q1281 V1285	H1111-N1283 VanDerWaalsContact O-CB 3.3Å; H1111-N1283 WeakPolarHBondContact O-CB 3.43Å; H1111-N1283 PolarHBondContact O-ND2 2.8Å; H1111-N1283 VanDerWaalsContact O-ND2 3.08Å; L1235-N1283 HydrophobicContact CD1-CB 4.1Å; Y1279-N1283 WeakPolarHBondContact CD1-ND2 3.37Å; Y1279-N1283 WeakPolarHBondContact CE1-ND2 3.12Å; Y1279-N1283 WeakPolarHBondContact CE2-ND2 3.22Å; Y1279-N1283 PolarHBondContact O-N 3.49Å; Y1279-N1283 VanDerWaalsContact O-N 3.08Å; Y1279-N1283 PolarHBondContact O-ND2 3.17Å; Y1279-N1283 PolarHBondContact OH-ND2 2.06Å; I1280-N1283 CarbonylContact O-C 3.54Å; I1280-N1283 PolarHBondContact O-N 3.19Å; I1280-N1283 VanDerWaalsContact O-N 3.15Å; Q1281-N1283 VanDerWaalsContact C-N 3.27Å; Q1281-N1283 PolarHBondContact O-N 2.93Å; N1283-V1285 PolarHBondContact O-N 3.06Å
1284	S	65.4	Low	59.1	Low	24 Å²	24	76.9 Å²	76.9	17%	0.168	38%	0.379	C	S	.	.				0	0	0	41.8	0	0	0	0	110	L1235 I1280 Q1281 T1286	L1235-S1284 WeakPolarHBondContact O-CA 3.36Å; I1280-S1284 WeakPolarHBondContact O-CA 3.25Å; I1280-S1284 WeakPolarHBondContact O-CB 3.28Å; I1280-S1284 PolarHBondContact O-N 3.33Å; I1280-S1284 PolarHBondContact O-OG 3.23Å; Q1281-S1284 VanDerWaalsContact CA-OG 3.31Å; Q1281-S1284 WeakPolarHBondContact CA-OG 3.3Å; Q1281-S1284 PolarHBondContact O-OG 2.75Å; S1284-T1286 PolarHBondContact O-N 3.28Å
1285	V	54.8	Low	56.5	Low	71 Å²	71	77.8 Å²	77.8	43%	0.43	39%	0.39	S	S	.	.	B	Isolated β-bridge		0	83.4	0	-177.9	0	0	0	0	109.3	D1237 N1283 T1287 I1290	D1237-V1285 PolarHBondContact N-O 3.4Å; N1283-V1285 PolarHBondContact O-N 3.06Å; V1285-T1287 PolarHBondContact O-N 3.33Å; V1285-I1290 HydrophobicContact CG1-CD1 3.42Å; V1285-I1290 VanDerWaalsContact CG1-CD1 3.42Å; V1285-I1290 HydrophobicContact CG1-CG1 4.11Å
1286	T	46	Very low	53.8	Low	37 Å²	37	80.9 Å²	80.9	23%	0.227	41%	0.406	C	S	.	.			trans	-60	100.6	168.7	20.3	0	0	0	0	110.3	S1284 Q1288 S1289	S1284-T1286 PolarHBondContact O-N 3.28Å; T1286-Q1288 CarbonylContact O-C 3.39Å; T1286-Q1288 PolarHBondContact O-N 3.47Å; T1286-S1289 PolarHBondContact O-N 3.29Å; T1286-S1289 WeakPolarHBondContact OG1-CB 3.42Å
1287	T	36.1	Very low	51.2	Low	75 Å²	75	89.6 Å²	89.6	46%	0.46	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-27.9	0	166.3	-14.2	0	0	0	0	111.4	D1237 V1285 P1863	D1237-T1287 PolarHBondContact OD1-OG1 3.16Å; D1237-T1287 PolarHBondContact OD2-OG1 3.41Å; V1285-T1287 PolarHBondContact O-N 3.33Å; T1287-P1863 CarbonylContact C-O 3.53Å; T1287-P1863 VanDerWaalsContact CA-CD 3.44Å; T1287-P1863 CarbonylContact O-C 3.2Å; T1287-P1863 WeakPolarHBondContact O-CA 3.13Å; T1287-P1863 WeakPolarHBondContact O-CB 3.06Å; T1287-P1863 CovalentContact O-CD 1.26Å; T1287-P1863 WeakPolarHBondContact O-CD 2.99Å; T1287-P1863 WeakPolarHBondContact O-CG 3.33Å
1288	Q	39.5	Very low	48.4	Very low	128 Å²	128	94.7 Å²	94.7	60%	0.598	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn		0	0	0	-83.7	-176.4	5.7	0	0	109.4	T1286 C1862 P1863	T1286-Q1288 CarbonylContact O-C 3.39Å; T1286-Q1288 PolarHBondContact O-N 3.47Å; Q1288-C1862 VanDerWaalsContact C-C 3.4Å; Q1288-C1862 CarbonylContact C-O 2.89Å; Q1288-C1862 WeakPolarHBondContact CA-O 2.81Å; Q1288-C1862 VanDerWaalsContact CB-O 3.24Å; Q1288-C1862 WeakPolarHBondContact CB-O 3.41Å; Q1288-C1862 CarbonylContact O-C 3.18Å; Q1288-P1863 VanDerWaalsContact CA-N 3.27Å; Q1288-P1863 WeakPolarHBondContact O-CD 3.47Å
1289	S	37.5	Very low	45.7	Very low	33 Å²	33	96.8 Å²	96.8	23%	0.231	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn		0	0	0	-148	0	0	0	0	109.5	T1286 D1291	T1286-S1289 PolarHBondContact O-N 3.29Å; T1286-S1289 WeakPolarHBondContact OG1-CB 3.42Å; S1289-D1291 PolarHBondContact O-N 2.68Å
1290	I	34.2	Very low	43.2	Very low	118 Å²	118	99.8 Å²	99.8	61%	0.605	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn		0	0	0	-66.9	170.7	0	0	0	108.8	V1285 P1863	V1285-I1290 HydrophobicContact CG1-CD1 3.42Å; V1285-I1290 VanDerWaalsContact CG1-CD1 3.42Å; V1285-I1290 HydrophobicContact CG1-CG1 4.11Å; I1290-P1863 HydrophobicContact CB-CB 4.17Å; I1290-P1863 HydrophobicContact CB-CG 3.66Å; I1290-P1863 VanDerWaalsContact N-CG 3.32Å
1291	D	31.2	Very low	40.6	Very low	67 Å²	67	105.3 Å²	105.3	36%	0.358	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn		0	0	0	-101.6	-20.4	0	0	0	109.8	S1289 C1862 P1863	S1289-D1291 PolarHBondContact O-N 2.68Å; D1291-C1862 VanDerWaalsContact C-CB 3.41Å; D1291-C1862 WeakPolarHBondContact CA-SG 3.18Å; D1291-C1862 CovalentContact CB-CB 1.2Å; D1291-C1862 HydrophobicContact CB-CB 1.2Å; D1291-C1862 WeakPolarHBondContact CB-SG 3.38Å; D1291-C1862 CovalentContact CG-SG 1.13Å; D1291-C1862 WeakPolarHBondContact OD1-CB 2.86Å; D1291-C1862 PolarHBondContact OD1-SG 3.12Å; D1291-C1862 WeakPolarHBondContact OD2-CA 2.65Å; D1291-C1862 WeakPolarHBondContact OD2-CB 3.48Å; D1291-C1862 CovalentContact OD2-SG 1.2Å; D1291-C1862 PolarHBondContact OD2-SG 3.42Å; D1291-P1863 HydrophobicContact CB-CB 3.72Å; D1291-P1863 HydrophobicContact CB-CG 4.35Å; D1291-P1863 VanDerWaalsContact CG-CB 3.44Å; D1291-P1863 WeakPolarHBondContact OD2-CA 3.05Å; D1291-P1863 VanDerWaalsContact OD2-CB 3.27Å; D1291-P1863 WeakPolarHBondContact OD2-CB 3.17Å
1292	R	31.4	Very low	38	Very low	109 Å²	109	104.1 Å²	104.1	41%	0.411	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn		0	0	0	-83.6	-169.6	153.6	140.6	2.9	109.4	A1860 P1861	R1292-A1860 PolarHBondContact NH2-O 2.75Å; R1292-P1861 HydrophobicContact CB-CB 3.77Å; R1292-P1861 HydrophobicContact CB-CG 3.54Å; R1292-P1861 CovalentContact CD-CG 1.75Å; R1292-P1861 HydrophobicContact CG-CB 2.34Å; R1292-P1861 HydrophobicContact CG-CG 2.09Å; R1292-P1861 CovalentContact CZ-CD 1.63Å; R1292-P1861 CovalentContact NE-CG 1.58Å
1293	Q	35.7	Very low	35.6	Very low	167 Å²	167	101 Å²	101	78%	0.78	57%	0.569	S	S	*	*	S	Bend		0	0	0	-86.8	-176.8	-13.7	0	0	109.4
1294	R	29.1	Very low	33.6	Very low	241 Å²	241	104.5 Å²	104.5	91%	0.909	60%	0.601	S	S	*	*	S	Bend		0	34.9	0	-118.9	-174.7	-121.5	-177.7	-0	110.1
1295	V	28	Very low	31.7	Very low	104 Å²	104	107.4 Å²	107.4	63%	0.63	63%	0.626	S	S	*	*	S	Bend	trans	-156.8	59.5	164	177.5	0	0	0	0	107.8
1296	L	26.3	Very low	30.2	Very low	142 Å²	142	108.6 Å²	108.6	74%	0.743	64%	0.638	S	S	*	*			trans	-178.2	0	148.8	-74	168.6	0	0	0	109.1
1297	K	29.6	Very low	29.2	Very low	187 Å²	187	111.4 Å²	111.4	81%	0.813	66%	0.659	S	S	*	*				0	142.6	0	-103	178.4	-178.2	172.3	0	110.1
1298	P	25.1	Very low	28.9	Very low	113 Å²	113	113.1 Å²	113.1	73%	0.734	67%	0.674	S	S	*	*				-144.3	121.8	98.6	26.1	-0.5	0	0	0	111.9
1299	S	26.3	Very low	28.4	Very low	95 Å²	95	112 Å²	112	66%	0.664	68%	0.678	S	S	*	*				100.4	100.9	113.1	44.4	0	0	0	0	109.9
1300	A	26.4	Very low	27.7	Very low	89 Å²	89	115.1 Å²	115.1	74%	0.736	70%	0.699	S	S	*	*				125.3	0	106.9	0	0	0	0	0	109.4
1301	S	26	Very low	27.2	Very low	115 Å²	115	114.4 Å²	114.4	80%	0.804	71%	0.705	S	S	*	*				0	102.4	0	-64.9	0	0	0	0	109.9
1302	A	25.4	Very low	27	Very low	92 Å²	92	115.9 Å²	115.9	76%	0.76	72%	0.721	S	S	*	*				122.9	103.9	103.7	0	0	0	0	0	109.4
1303	A	25	Very low	26.8	Very low	94 Å²	94	115.9 Å²	115.9	78%	0.777	73%	0.733	S	S	*	*				80.3	108.5	97.5	0	0	0	0	0	110.1
1304	A	26	Very low	26.4	Very low	94 Å²	94	115.6 Å²	115.6	78%	0.777	73%	0.732	S	S	*	*				115.9	109.8	109.8	0	0	0	0	0	109.4
1305	A	25.3	Very low	26.3	Very low	84 Å²	84	110.7 Å²	110.7	69%	0.694	72%	0.723	S	S	*	*				119.4	107.6	113.3	0	0	0	0	0	109.3
1306	S	24.8	Very low	26.2	Very low	97 Å²	97	115.6 Å²	115.6	68%	0.678	73%	0.73	S	S	*	*				120.6	97.9	114.7	59.3	0	0	0	0	109.8
1307	S	24.7	Very low	26.4	Very low	96 Å²	96	113.4 Å²	113.4	67%	0.671	73%	0.725	S	S	*	*				73.8	85	115.9	57.6	0	0	0	0	110.3
1308	S	30.2	Very low	26.3	Very low	111 Å²	111	109 Å²	109	78%	0.776	71%	0.714	S	S	*	*			trans	23.1	141.5	142.1	-32.6	0	0	0	0	111.5
1309	P	27.3	Very low	26.3	Very low	105 Å²	105	110.2 Å²	110.2	68%	0.682	71%	0.713	S	S	*	*				154.8	120	60.1	33.7	-4.9	0	0	0	111.9
1310	S	23.5	Very low	26.2	Very low	97 Å²	97	108.5 Å²	108.5	68%	0.678	71%	0.709	S	S	*	*			trans	100.6	100.5	131.6	47.9	0	0	0	0	110.5
1311	S	24.4	Very low	26.1	Very low	103 Å²	103	110.6 Å²	110.6	72%	0.72	71%	0.707	S	S	*	*				90.4	108.2	125.6	61.5	0	0	0	0	110.5
1312	S	25.7	Very low	26	Very low	99 Å²	99	110.3 Å²	110.3	69%	0.692	70%	0.701	S	S	*	*				108.8	113.4	115.2	65.1	0	0	0	0	110.2
1313	T	27.3	Very low	26	Very low	109 Å²	109	110.2 Å²	110.2	67%	0.669	69%	0.694	S	S	*	*				98.3	0	110.6	12.3	0	0	0	0	110.2
1314	Q	27.2	Very low	25.9	Very low	161 Å²	161	113.8 Å²	113.8	75%	0.752	70%	0.695	S	S	*	*				0	0	0	-86.1	-164.4	-6.3	0	0	110.4
1315	N	27.4	Very low	25.8	Very low	137 Å²	137	113.4 Å²	113.4	73%	0.733	69%	0.686	S	S	*	*				0	109	0	-87.7	-15.7	0	0	0	110.7
1316	R	27.3	Very low	25.8	Very low	207 Å²	207	115.7 Å²	115.7	78%	0.781	69%	0.686	S	S	*	*				27.8	154.7	118.9	-156.4	172.4	-176.4	-172.1	-2	111.5
1317	P	29.8	Very low	25.7	Very low	96 Å²	96	117.1 Å²	117.1	62%	0.623	69%	0.685	S	S	*	*				168.1	0	50.3	32.8	-3.8	0	0	0	112.5
1318	T	26.4	Very low	25.6	Very low	95 Å²	95	116.8 Å²	116.8	58%	0.583	68%	0.683	S	S	*	*				0	125.4	0	-53.7	0	0	0	0	110.7
1319	I	25.2	Very low	25.3	Very low	139 Å²	139	120.2 Å²	120.2	71%	0.713	68%	0.684	S	S	*	*				150.3	123.1	117.7	-65.9	174.7	0	0	0	108	I1321	I1319-I1321 HydrophobicContact CG2-CD1 3.82Å; I1319-I1321 HydrophobicContact CG2-CG1 4.12Å
1320	G	25.2	Very low	25.1	Very low	58 Å²	58	121.5 Å²	121.5	60%	0.598	69%	0.69	S	S	*	*				98.5	113.5	91.7	0	0	0	0	0	111.7
1321	I	24.4	Very low	25.2	Very low	134 Å²	134	122.5 Å²	122.5	69%	0.687	70%	0.697	S	S	*	*				118.3	0	101.7	-53.9	175.6	0	0	0	108.7	I1319	I1319-I1321 HydrophobicContact CG2-CD1 3.82Å; I1319-I1321 HydrophobicContact CG2-CG1 4.12Å
1322	T	24.3	Very low	25.3	Very low	109 Å²	109	120.7 Å²	120.7	67%	0.669	69%	0.694	S	S	*	*				0	0	0	53.8	0	0	0	0	109.7
1323	S	23.9	Very low	25.4	Very low	90 Å²	90	123.2 Å²	123.2	63%	0.629	70%	0.7	S	S	*	*				0	128.8	0	31.7	0	0	0	0	111
1324	E	24.3	Very low	25.3	Very low	169 Å²	169	124 Å²	124	79%	0.79	71%	0.705	S	S	*	*				142.8	111.6	112.9	-90.1	-177.7	175.6	0	0	109.8
1325	S	24.1	Very low	25.4	Very low	85 Å²	85	121 Å²	121	59%	0.594	70%	0.699	S	S	*	*				98.4	0	95	108.8	0	0	0	0	110.6
1326	L	23.5	Very low	25.3	Very low	133 Å²	133	120.6 Å²	120.6	70%	0.696	70%	0.702	S	S	*	*				0	110.4	0	-78.7	166.4	0	0	0	110.3
1327	I	23.2	Very low	25.2	Very low	127 Å²	127	114.5 Å²	114.5	65%	0.651	70%	0.696	S	S	*	*				72.8	110.8	110.8	-60.2	171.9	0	0	0	109.4
1328	S	23.8	Very low	25.1	Very low	89 Å²	89	116.6 Å²	116.6	62%	0.622	70%	0.702	S	S	*	*				147.7	108.7	116.5	-34	0	0	0	0	109.6
1329	K	24	Very low	25	Very low	183 Å²	183	120 Å²	120	80%	0.796	71%	0.711	S	S	*	*				81.5	100.8	102.7	-84.2	-178.5	178.9	177.6	0	110.8
1330	T	23.1	Very low	25.1	Very low	132 Å²	132	118.4 Å²	118.4	81%	0.81	71%	0.707	S	S	*	*				13.8	100.3	121.2	45	0	0	0	0	111.1
1331	S	24.9	Very low	25	Very low	118 Å²	118	120 Å²	120	83%	0.825	71%	0.71	S	S	*	*				161.6	113	126.9	66.4	0	0	0	0	109.2
1332	G	25.4	Very low	25.1	Very low	64 Å²	64	118.3 Å²	118.3	66%	0.66	71%	0.705	S	S	*	*				96.8	98.5	115.8	0	0	0	0	0	111
1333	N	28	Very low	25.2	Very low	152 Å²	152	120.2 Å²	120.2	81%	0.813	71%	0.71	S	S	*	*				115	98.4	120.4	-89.1	3.4	0	0	0	110.2
1334	T	25.2	Very low	25.6	Very low	126 Å²	126	121.7 Å²	121.7	77%	0.773	72%	0.715	S	S	*	*				57.4	153.8	122.6	41.9	0	0	0	0	110.3
1335	P	30.2	Very low	25.8	Very low	98 Å²	98	119.5 Å²	119.5	64%	0.636	72%	0.716	S	S	*	*				-134.3	144.7	-51.5	35	-6.4	0	0	0	112.1
1336	T	24.7	Very low	26	Very low	129 Å²	129	123.9 Å²	123.9	79%	0.791	73%	0.727	S	S	*	*				111.7	123.1	120.7	53.9	0	0	0	0	109.2
1337	A	25.4	Very low	26.5	Very low	79 Å²	79	122.4 Å²	122.4	65%	0.653	73%	0.725	S	S	*	*				104.7	115.3	108.8	0	0	0	0	0	109.5
1338	D	27.8	Very low	26.7	Very low	139 Å²	139	121.1 Å²	121.1	74%	0.743	73%	0.727	S	S	*	*				109.1	115	112.6	-85.6	-19.1	0	0	0	109.6
1339	E	24.6	Very low	26.9	Very low	166 Å²	166	122.5 Å²	122.5	78%	0.776	73%	0.732	S	S	*	*				85.4	119.8	105.4	-108.8	-170.4	167.7	0	0	110.3
1340	V	26.3	Very low	27.2	Very low	106 Å²	106	121.7 Å²	121.7	64%	0.642	73%	0.731	S	S	*	*				109.3	0	109.2	179.3	0	0	0	0	108.3
1341	S	25	Very low	27.4	Very low	92 Å²	92	121.5 Å²	121.5	64%	0.643	73%	0.725	S	S	*	*				0	128	0	59.4	0	0	0	0	110.2
1342	V	25.1	Very low	27.5	Very low	99 Å²	99	122.1 Å²	122.1	60%	0.6	72%	0.719	S	S	*	*				125.8	0	106.1	177.8	0	0	0	0	108.2
1343	I	26.6	Very low	27.6	Very low	148 Å²	148	127.5 Å²	127.5	76%	0.759	72%	0.724	S	S	*	*				0	104.4	0	-63	174.5	0	0	0	108
1344	T	32.3	Very low	27.4	Very low	121 Å²	121	125.9 Å²	125.9	74%	0.742	72%	0.72	S	S	*	*			trans	-14.7	0	132.5	-16.1	0	0	0	0	111.6
1345	P	28	Very low	27.5	Very low	123 Å²	123	124.4 Å²	124.4	80%	0.799	72%	0.715	S	S	*	*				0	139.3	0	34	-3.6	0	0	0	111.8
1346	Q	29.6	Very low	27.2	Very low	177 Å²	177	129.5 Å²	129.5	83%	0.827	73%	0.727	S	S	*	*			trans	-29.7	0	130.3	-96.1	-134.7	-23.3	0	0	112.2
1347	P	33.1	Very low	27.2	Very low	102 Å²	102	126.7 Å²	126.7	66%	0.662	72%	0.723	S	S	*	*				0	0	0	34.1	-4.7	0	0	0	112.3
1348	S	28.4	Very low	27.2	Very low	100 Å²	100	133.2 Å²	133.2	70%	0.699	74%	0.737	S	S	*	*				0	0	0	58.4	0	0	0	0	110
1349	T	28.1	Very low	27	Very low	118 Å²	118	134.1 Å²	134.1	72%	0.724	74%	0.741	S	S	*	*				0	0	0	46.3	0	0	0	0	109.3
1350	Q	30.2	Very low	27.4	Very low	167 Å²	167	130.1 Å²	130.1	78%	0.78	73%	0.73	S	S	*	*				0	0	0	-90.6	179.8	-2.3	0	0	109.6
1351	D	27.4	Very low	27.4	Very low	128 Å²	128	130.6 Å²	130.6	68%	0.684	73%	0.733	S	S	*	*				0	0	0	-85.1	-25	0	0	0	109.8
1352	L	26.5	Very low	27.4	Very low	131 Å²	131	132.1 Å²	132.1	69%	0.686	74%	0.739	S	S	*	*				0	0	0	-87.6	154.7	0	0	0	109.5
1353	K	26.6	Very low	27.4	Very low	176 Å²	176	132.4 Å²	132.4	77%	0.765	75%	0.745	S	S	*	*				0	0	0	-103.4	173.8	-178.3	-177.5	0	110
1354	T	25.1	Very low	27.4	Very low	119 Å²	119	129.3 Å²	129.3	73%	0.73	74%	0.736	S	S	*	*				0	0	0	35.5	0	0	0	0	109.3
1355	S	26.6	Very low	27.1	Very low	95 Å²	95	129.2 Å²	129.2	66%	0.664	74%	0.736	S	S	*	*				0	0	0	66.2	0	0	0	0	110.2
1356	F	23.6	Very low	26.9	Very low	205 Å²	205	128.8 Å²	128.8	90%	0.899	73%	0.731	S	S	*	*				0	0	0	-100.1	-84.1	0	0	0	109.2
1357	G	24.8	Very low	26.6	Very low	69 Å²	69	125.8 Å²	125.8	71%	0.711	73%	0.725	S	S	*	*				0	0	0	0	0	0	0	0	110.4
1358	K	25.2	Very low	26.2	Very low	216 Å²	216	129.5 Å²	129.5	94%	0.939	73%	0.731	S	S	*	*				0	0	0	-129.6	170.5	-175.4	-179	0	109.7
1359	L	24.6	Very low	26	Very low	159 Å²	159	130.8 Å²	130.8	83%	0.832	73%	0.73	S	S	*	*				0	168.4	0	-137.4	81.8	0	0	0	111.3
1360	P	32.6	Very low	25.8	Very low	82 Å²	82	131.3 Å²	131.3	53%	0.532	73%	0.728	S	S	.	*			cis	-168	166.4	-11	33.8	-5.3	0	0	0	112.2
1361	T	26.1	Very low	25.5	Very low	116 Å²	116	131.8 Å²	131.8	71%	0.712	73%	0.727	S	S	*	*				115	140.5	101.3	43.2	0	0	0	0	109.3
1362	T	25	Very low	25.3	Very low	124 Å²	124	131.1 Å²	131.1	76%	0.761	73%	0.728	S	S	*	*				141.6	0	99.7	52.3	0	0	0	0	108.9
1363	S	25.2	Very low	25.1	Very low	104 Å²	104	131.2 Å²	131.2	73%	0.727	73%	0.734	S	S	*	*				0	0	0	58.8	0	0	0	0	110.4
1364	S	27.2	Very low	25.1	Very low	83 Å²	83	132.9 Å²	132.9	58%	0.58	74%	0.737	S	S	*	*				0	0	0	58	0	0	0	0	110.1
1365	T	24.8	Very low	25.3	Very low	119 Å²	119	132.1 Å²	132.1	73%	0.73	73%	0.734	S	S	*	*				0	0	0	3.9	0	0	0	0	109.2
1366	T	24.3	Very low	25.2	Very low	115 Å²	115	131.8 Å²	131.8	71%	0.706	73%	0.732	S	S	*	*				0	126.8	0	15.1	0	0	0	0	109.1
1367	T	23.7	Very low	25.2	Very low	113 Å²	113	128.5 Å²	128.5	69%	0.693	72%	0.724	S	S	*	*				108.2	121.8	107.3	51.7	0	0	0	0	109.2
1368	K	24.5	Very low	25.2	Very low	181 Å²	181	130.7 Å²	130.7	79%	0.787	72%	0.718	S	S	*	*				100.9	113.7	111.2	-89.1	-174.5	-178.6	170.9	0	110.1
1369	N	24.4	Very low	25.2	Very low	127 Å²	127	127 Å²	127	68%	0.679	71%	0.709	S	S	*	*				112.8	112.2	115.6	-89.7	-5.9	0	0	0	110
1370	D	23.3	Very low	25.4	Very low	129 Å²	129	123.2 Å²	123.2	69%	0.69	70%	0.696	S	S	*	*				99.1	115.3	109.2	-88.5	-14.8	0	0	0	110
1371	K	24.5	Very low	25.1	Very low	176 Å²	176	126.2 Å²	126.2	77%	0.765	70%	0.7	S	S	*	*				81.9	116.4	107.6	-98.4	179	-177.6	176.3	0	110.5
1372	T	22.6	Very low	25.2	Very low	115 Å²	115	126.1 Å²	126.1	71%	0.706	70%	0.695	S	S	*	*				86.2	117.3	114.4	45.9	0	0	0	0	109.9
1373	T	23.1	Very low	25.4	Very low	132 Å²	132	125.8 Å²	125.8	81%	0.81	69%	0.688	S	S	*	*				149.7	102.5	121.5	-50.2	0	0	0	0	108.9
1374	Y	25.2	Very low	25.4	Very low	212 Å²	212	127.8 Å²	127.8	83%	0.831	69%	0.69	S	S	*	*			trans	-14.9	167.8	142.2	-84.6	-82.8	0	0	0	111.6
1375	P	31.3	Very low	25.3	Very low	102 Å²	102	129.2 Å²	129.2	66%	0.662	70%	0.699	S	S	*	*			cis	-174.3	0	34.9	33.8	-4.8	0	0	0	112
1376	S	22.9	Very low	25.4	Very low	88 Å²	88	129.9 Å²	129.9	62%	0.615	71%	0.709	S	S	*	*				0	121	0	-16.8	0	0	0	0	109.9
1377	D	24.5	Very low	25.7	Very low	137 Å²	137	127.1 Å²	127.1	73%	0.733	70%	0.703	S	S	*	*				74.4	124.9	105.6	-80	-19.8	0	0	0	110.5
1378	I	24.3	Very low	25.9	Very low	114 Å²	114	130 Å²	130	59%	0.585	71%	0.709	S	S	*	*				115.1	120.4	102.6	-63	173.1	0	0	0	108.3
1379	N	26.4	Very low	26	Very low	139 Å²	139	128.4 Å²	128.4	74%	0.743	70%	0.704	S	S	*	*				100.2	124.2	101	-85.4	-14.9	0	0	0	110.5
1380	S	27.3	Very low	26.2	Very low	80 Å²	80	126.1 Å²	126.1	56%	0.559	70%	0.698	S	S	*	*				92.7	138.9	96.8	124	0	0	0	0	110.3
1381	F	26.9	Very low	26.6	Very low	145 Å²	145	123.7 Å²	123.7	64%	0.636	69%	0.688	S	S	*	*				121.7	130.2	103.1	-116.8	-92.6	0	0	0	109.3	L1383	F1381-L1383 HydrophobicContact CD1-CD1 2.8Å; F1381-L1383 HydrophobicContact CD1-CG 4.26Å; F1381-L1383 HydrophobicContact CE1-CD1 2.42Å; F1381-L1383 HydrophobicContact CE1-CG 3.95Å; F1381-L1383 HydrophobicContact CG-CD1 4.1Å; F1381-L1383 HydrophobicContact CZ-CD1 3.62Å
1382	D	27.2	Very low	27.3	Very low	113 Å²	113	118.8 Å²	118.8	60%	0.604	67%	0.673	S	S	*	*				132.9	0	86.5	-90.2	-17.8	0	0	0	109.8
1383	L	29.2	Very low	28	Very low	117 Å²	117	117.4 Å²	117.4	61%	0.613	66%	0.657	S	S	*	*				0	0	0	-102.5	126	0	0	0	110.5	F1381	F1381-L1383 HydrophobicContact CD1-CD1 2.8Å; F1381-L1383 HydrophobicContact CD1-CG 4.26Å; F1381-L1383 HydrophobicContact CE1-CD1 2.42Å; F1381-L1383 HydrophobicContact CE1-CG 3.95Å; F1381-L1383 HydrophobicContact CG-CD1 4.1Å; F1381-L1383 HydrophobicContact CZ-CD1 3.62Å
1384	I	26.1	Very low	28.9	Very low	147 Å²	147	113.8 Å²	113.8	75%	0.754	64%	0.635	S	S	*	*				0	0	0	-62.2	174.3	0	0	0	108.2
1385	S	24.8	Very low	30	Very low	112 Å²	112	108.5 Å²	108.5	78%	0.783	62%	0.621	S	S	*	*				0	0	0	-130.8	0	0	0	0	110.3
1386	S	27.8	Very low	30.8	Very low	133 Å²	133	109.3 Å²	109.3	93%	0.93	61%	0.614	S	S	*	*				0	0	0	66.3	0	0	0	0	109.3
1387	G	28.9	Very low	31.8	Very low	57 Å²	57	106 Å²	106	59%	0.588	59%	0.589	S	S	*	*				0	0	0	0	0	0	0	0	110.7
1388	E	28.6	Very low	33.2	Very low	175 Å²	175	102.2 Å²	102.2	82%	0.818	57%	0.567	S	S	*	*	S	Bend		0	0	0	-100.3	-178	173.9	0	0	110	T1391	E1388-T1391 PolarHBondContact O-OG1 3.08Å
1389	E	27.1	Very low	35	Very low	147 Å²	147	100.8 Å²	100.8	69%	0.687	56%	0.564	S	S	*	*	S	Bend		0	-10.9	0	-92.2	-175.8	177.8	0	0	110.2
1390	S	27.4	Very low	36.1	Very low	79 Å²	79	95 Å²	95	55%	0.552	54%	0.535	S	S	*	.	H	α-helix	trans	-96.3	0	-176.6	84.8	0	0	0	0	110.1	V1394	S1390-V1394 WeakPolarHBondContact O-CB 3.25Å; S1390-V1394 WeakPolarHBondContact O-CG2 3.24Å
1391	T	32.3	Very low	37.1	Very low	77 Å²	77	92 Å²	92	47%	0.472	51%	0.513	S	S	.	.	H	α-helix		0	0	0	56.1	0	0	0	0	109.7	E1388 D1395	E1388-T1391 PolarHBondContact O-OG1 3.08Å; T1391-D1395 WeakPolarHBondContact O-CB 3.2Å; T1391-D1395 PolarHBondContact O-N 3.44Å
1392	V	38.7	Very low	38.5	Very low	73 Å²	73	89.7 Å²	89.7	44%	0.442	51%	0.507	S	S	.	.	H	α-helix		0	-34.3	0	173.9	0	0	0	0	109.6	D1395 K1396	V1392-D1395 PolarHBondContact O-N 3.42Å; V1392-K1396 HydrophobicContact CG1-CD 4.31Å; V1392-K1396 WeakPolarHBondContact O-CB 3.37Å; V1392-K1396 VanDerWaalsContact O-CG 3.31Å; V1392-K1396 WeakPolarHBondContact O-CG 3.4Å; V1392-K1396 PolarHBondContact O-N 2.97Å
1393	F	38.1	Very low	40.2	Very low	86 Å²	86	90.3 Å²	90.3	38%	0.377	51%	0.506	S	S	.	.	H	α-helix	trans	-72.3	-41.2	176.9	174.4	-103.2	0	0	0	110.6	D1395 K1396 L1397	F1393-D1395 PolarHBondContact O-N 2.72Å; F1393-K1396 PolarHBondContact O-N 3.46Å; F1393-L1397 HydrophobicContact CE1-CD1 4.24Å; F1393-L1397 HydrophobicContact CE2-CD1 4.31Å; F1393-L1397 HydrophobicContact CZ-CD1 3.81Å; F1393-L1397 WeakPolarHBondContact O-CB 2.89Å; F1393-L1397 PolarHBondContact O-N 2.83Å
1394	V	41.9	Very low	41.2	Very low	56 Å²	56	85.7 Å²	85.7	34%	0.339	48%	0.482	S	S	.	.	H	α-helix	trans	-69.7	-27.6	178.5	173.4	0	0	0	0	109.3	S1390 Q1398 L1437	S1390-V1394 WeakPolarHBondContact O-CB 3.25Å; S1390-V1394 WeakPolarHBondContact O-CG2 3.24Å; V1394-Q1398 WeakPolarHBondContact O-CB 3.46Å; V1394-Q1398 PolarHBondContact O-N 3.45Å; V1394-L1437 HydrophobicContact CG2-CD2 4.39Å
1395	D	48.5	Very low	42.7	Very low	102 Å²	102	80.2 Å²	80.2	55%	0.545	45%	0.454	S	S	.	.	H	α-helix	trans	-81.2	-33.6	177.6	-88.3	-11.6	0	0	0	110.8	T1391 V1392 F1393 T1399	T1391-D1395 WeakPolarHBondContact O-CB 3.2Å; T1391-D1395 PolarHBondContact O-N 3.44Å; V1392-D1395 PolarHBondContact O-N 3.42Å; F1393-D1395 PolarHBondContact O-N 2.72Å; D1395-T1399 WeakPolarHBondContact O-CB 3.36Å; D1395-T1399 PolarHBondContact O-N 3.1Å; D1395-T1399 PolarHBondContact O-OG1 3.49Å
1396	K	47.3	Very low	44.5	Very low	118 Å²	118	76.4 Å²	76.4	51%	0.513	43%	0.433	S	S	.	.	H	α-helix	trans	-75.8	-34.5	177.8	-82.8	-178.3	-176.8	178.6	0	110.7	V1392 F1393 Q1398 T1399 A1400	V1392-K1396 HydrophobicContact CG1-CD 4.31Å; V1392-K1396 WeakPolarHBondContact O-CB 3.37Å; V1392-K1396 VanDerWaalsContact O-CG 3.31Å; V1392-K1396 WeakPolarHBondContact O-CG 3.4Å; V1392-K1396 PolarHBondContact O-N 2.97Å; F1393-K1396 PolarHBondContact O-N 3.46Å; K1396-Q1398 VanDerWaalsContact C-N 3.31Å; K1396-T1399 PolarHBondContact O-N 3.34Å; K1396-A1400 WeakPolarHBondContact O-CB 3.36Å; K1396-A1400 PolarHBondContact O-N 3.4Å
1397	L	45	Very low	46.1	Very low	19 Å²	19	75.3 Å²	75.3	10%	0.099	41%	0.413	C	S	.	.	H	α-helix	trans	-73.9	-36.9	177.1	-161	100.3	0	0	0	110.3	F1393 T1399 A1400 M1401 I1442 L1617	F1393-L1397 HydrophobicContact CE1-CD1 4.24Å; F1393-L1397 HydrophobicContact CE2-CD1 4.31Å; F1393-L1397 HydrophobicContact CZ-CD1 3.81Å; F1393-L1397 WeakPolarHBondContact O-CB 2.89Å; F1393-L1397 PolarHBondContact O-N 2.83Å; L1397-T1399 PolarHBondContact O-N 2.92Å; L1397-A1400 PolarHBondContact O-N 2.88Å; L1397-M1401 HydrophobicContact CD2-SD 4.49Å; L1397-M1401 WeakPolarHBondContact O-CB 3.22Å; L1397-M1401 VanDerWaalsContact O-CG 3.28Å; L1397-M1401 WeakPolarHBondContact O-CG 3.39Å; L1397-M1401 PolarHBondContact O-N 3.03Å; L1397-M1401 VanDerWaalsContact O-N 3.07Å; L1397-I1442 HydrophobicContact CD2-CD1 3.69Å; L1397-L1617 HydrophobicContact CD1-CB 4.42Å
1398	Q	52.3	Low	47.3	Very low	57 Å²	57	73.3 Å²	73.3	27%	0.266	39%	0.39	S	S	.	.	H	α-helix	trans	-70.5	-32.5	175.8	-175.6	83.1	11	0	0	110.2	V1394 K1396 N1402	V1394-Q1398 WeakPolarHBondContact O-CB 3.46Å; V1394-Q1398 PolarHBondContact O-N 3.45Å; K1396-Q1398 VanDerWaalsContact C-N 3.31Å; Q1398-N1402 WeakPolarHBondContact O-CB 3.08Å; Q1398-N1402 PolarHBondContact O-N 3.01Å; Q1398-N1402 VanDerWaalsContact O-N 3.13Å; Q1398-N1402 PolarHBondContact O-ND2 3.34Å
1399	T	62.7	Low	48.9	Very low	85 Å²	85	68.7 Å²	68.7	52%	0.521	37%	0.365	S	S	.	.	H	α-helix	trans	-73.1	-39.2	175.7	-53.6	0	0	0	0	110.7	D1395 K1396 L1397 M1401 N1402 E1403	D1395-T1399 WeakPolarHBondContact O-CB 3.36Å; D1395-T1399 PolarHBondContact O-N 3.1Å; D1395-T1399 PolarHBondContact O-OG1 3.49Å; K1396-T1399 PolarHBondContact O-N 3.34Å; L1397-T1399 PolarHBondContact O-N 2.92Å; T1399-M1401 VanDerWaalsContact C-N 3.34Å; T1399-N1402 PolarHBondContact O-N 3.42Å; T1399-E1403 WeakPolarHBondContact O-CB 3.48Å; T1399-E1403 PolarHBondContact O-N 3.34Å
1400	A	50.7	Low	50.8	Low	17 Å²	17	66.6 Å²	66.6	14%	0.14	36%	0.355	C	S	.	.	H	α-helix	trans	-68.5	-35.2	178.2	0	0	0	0	0	111	K1396 L1397 N1402 E1403 L1404 L1617	K1396-A1400 WeakPolarHBondContact O-CB 3.36Å; K1396-A1400 PolarHBondContact O-N 3.4Å; L1397-A1400 PolarHBondContact O-N 2.88Å; A1400-N1402 VanDerWaalsContact C-N 3.34Å; A1400-E1403 PolarHBondContact O-N 3.48Å; A1400-L1404 PolarHBondContact O-N 3.31Å; A1400-L1404 VanDerWaalsContact O-N 3.12Å; A1400-L1617 HydrophobicContact CB-CD1 2.97Å; A1400-L1617 HydrophobicContact CB-CD2 3.92Å; A1400-L1617 HydrophobicContact CB-CG 4.06Å
1401	M	47.9	Very low	52.4	Low	18 Å²	18	65.3 Å²	65.3	9%	0.089	34%	0.341	C	S	.	.	H	α-helix	trans	-75.1	-31.9	179.4	-79.6	-171.4	68.7	0	0	110.2	L1397 T1399 E1403 L1405 I1442 F1445	L1397-M1401 HydrophobicContact CD2-SD 4.49Å; L1397-M1401 WeakPolarHBondContact O-CB 3.22Å; L1397-M1401 VanDerWaalsContact O-CG 3.28Å; L1397-M1401 WeakPolarHBondContact O-CG 3.39Å; L1397-M1401 PolarHBondContact O-N 3.03Å; L1397-M1401 VanDerWaalsContact O-N 3.07Å; T1399-M1401 VanDerWaalsContact C-N 3.34Å; M1401-E1403 VanDerWaalsContact C-N 3.31Å; M1401-L1405 WeakPolarHBondContact O-CB 3.49Å; M1401-L1405 VanDerWaalsContact O-CD1 3.25Å; M1401-L1405 WeakPolarHBondContact O-CD1 3.31Å; M1401-L1405 PolarHBondContact O-N 3.49Å; M1401-L1405 VanDerWaalsContact O-N 3.09Å; M1401-I1442 HydrophobicContact CE-CB 4.24Å; M1401-I1442 HydrophobicContact CE-CG1 3.94Å; M1401-I1442 HydrophobicContact CE-CG2 3.63Å; M1401-I1442 HydrophobicContact SD-CB 4.45Å; M1401-I1442 HydrophobicContact SD-CD1 3.78Å; M1401-I1442 HydrophobicContact SD-CG1 3.75Å; M1401-I1442 HydrophobicContact SD-CG2 3.87Å; M1401-F1445 HydrophobicContact CE-CD1 4.42Å
1402	N	56.4	Low	53.4	Low	95 Å²	95	61.8 Å²	61.8	51%	0.508	32%	0.319	S	S	.	.	H	α-helix	trans	-76.5	-26.2	176.8	-75.3	-29.1	0	0	0	111.1	Q1398 T1399 A1400 G1406	Q1398-N1402 WeakPolarHBondContact O-CB 3.08Å; Q1398-N1402 PolarHBondContact O-N 3.01Å; Q1398-N1402 VanDerWaalsContact O-N 3.13Å; Q1398-N1402 PolarHBondContact O-ND2 3.34Å; T1399-N1402 PolarHBondContact O-N 3.42Å; A1400-N1402 VanDerWaalsContact C-N 3.34Å; N1402-G1406 PolarHBondContact O-N 2.85Å; N1402-G1406 VanDerWaalsContact O-N 3.07Å
1403	E	61.8	Low	54.5	Low	126 Å²	126	59.2 Å²	59.2	59%	0.589	31%	0.305	S	S	*	.	H	α-helix	trans	-75.4	-38.2	175.8	-152.9	168.9	178	0	0	111.2	T1399 A1400 M1401 G1406 Q1407	T1399-E1403 WeakPolarHBondContact O-CB 3.48Å; T1399-E1403 PolarHBondContact O-N 3.34Å; A1400-E1403 PolarHBondContact O-N 3.48Å; M1401-E1403 VanDerWaalsContact C-N 3.31Å; E1403-G1406 PolarHBondContact O-N 3.48Å; E1403-Q1407 WeakPolarHBondContact O-CG 3.27Å; E1403-Q1407 PolarHBondContact O-N 3.18Å
1404	L	51.6	Low	55.9	Low	21 Å²	21	61.8 Å²	61.8	11%	0.11	32%	0.318	C	S	.	.	H	α-helix	trans	-73.7	-39	179.7	-159.3	91.2	0	0	0	110.6	A1400 G1406 Q1407 T1408 C1613 L1614	A1400-L1404 PolarHBondContact O-N 3.31Å; A1400-L1404 VanDerWaalsContact O-N 3.12Å; L1404-G1406 PolarHBondContact O-N 3.25Å; L1404-Q1407 PolarHBondContact O-N 3.23Å; L1404-T1408 PolarHBondContact O-N 3.39Å; L1404-T1408 PolarHBondContact O-OG1 3.27Å; L1404-C1613 HydrophobicContact CD1-CB 4.38Å; L1404-L1614 HydrophobicContact CD2-CD1 4.14Å
1405	L	57.5	Low	56.5	Low	31 Å²	31	63.5 Å²	63.5	16%	0.162	32%	0.321	C	S	.	.	H	α-helix	trans	-66.7	-33.2	174.6	-98.1	139	0	0	0	110.2	M1401 R1409 F1445 Y1449	M1401-L1405 WeakPolarHBondContact O-CB 3.49Å; M1401-L1405 VanDerWaalsContact O-CD1 3.25Å; M1401-L1405 WeakPolarHBondContact O-CD1 3.31Å; M1401-L1405 PolarHBondContact O-N 3.49Å; M1401-L1405 VanDerWaalsContact O-N 3.09Å; L1405-R1409 WeakPolarHBondContact O-CB 3.35Å; L1405-R1409 WeakPolarHBondContact O-CG 2.73Å; L1405-R1409 PolarHBondContact O-N 3.36Å; L1405-F1445 HydrophobicContact CD1-CD1 4.46Å; L1405-F1445 HydrophobicContact CD1-CE1 3.47Å; L1405-F1445 VanDerWaalsContact CD1-CE1 3.47Å; L1405-F1445 HydrophobicContact CD1-CZ 4.18Å; L1405-F1445 HydrophobicContact CD2-CE1 3.94Å; L1405-F1445 HydrophobicContact CD2-CZ 4.26Å; L1405-F1445 HydrophobicContact CG-CE1 4.13Å; L1405-Y1449 HydrophobicContact CD2-CD2 3.72Å; L1405-Y1449 HydrophobicContact CD2-CE1 4.31Å; L1405-Y1449 HydrophobicContact CD2-CE2 3.45Å; L1405-Y1449 VanDerWaalsContact CD2-CE2 3.45Å; L1405-Y1449 HydrophobicContact CD2-CG 4.25Å
1406	G	63	Low	56.7	Low	33 Å²	33	60.2 Å²	60.2	34%	0.34	30%	0.301	S	S	.	.	H	α-helix	trans	-69	-39	175.3	0	0	0	0	0	111.4	N1402 E1403 L1404 Q1410	N1402-G1406 PolarHBondContact O-N 2.85Å; N1402-G1406 VanDerWaalsContact O-N 3.07Å; E1403-G1406 PolarHBondContact O-N 3.48Å; L1404-G1406 PolarHBondContact O-N 3.25Å; G1406-Q1410 WeakPolarHBondContact O-CB 3.08Å; G1406-Q1410 PolarHBondContact O-N 3.5Å; G1406-Q1410 VanDerWaalsContact O-N 3.14Å
1407	Q	61.3	Low	57.4	Low	109 Å²	109	62.1 Å²	62.1	51%	0.509	32%	0.316	S	S	.	.	H	α-helix	trans	-69	-37.6	178.1	-75.3	-178	3.8	0	0	111.1	E1403 L1404 I1411	E1403-Q1407 WeakPolarHBondContact O-CG 3.27Å; E1403-Q1407 PolarHBondContact O-N 3.18Å; L1404-Q1407 PolarHBondContact O-N 3.23Å; Q1407-I1411 WeakPolarHBondContact O-CG1 3.24Å; Q1407-I1411 PolarHBondContact O-N 3.4Å; Q1407-I1411 VanDerWaalsContact O-N 3.1Å
1408	T	53	Low	57.9	Low	16 Å²	16	61.5 Å²	61.5	10%	0.098	31%	0.313	C	S	.	.	H	α-helix	trans	-71.4	-36.1	179.9	-55	0	0	0	0	110.1	L1404 Q1410 I1411 I1412 Y1449	L1404-T1408 PolarHBondContact O-N 3.39Å; L1404-T1408 PolarHBondContact O-OG1 3.27Å; T1408-Q1410 VanDerWaalsContact C-N 3.3Å; T1408-Q1410 PolarHBondContact O-N 3.25Å; T1408-I1411 PolarHBondContact O-N 2.37Å; T1408-I1412 HydrophobicContact CG2-CD1 3.9Å; T1408-I1412 HydrophobicContact CG2-CG1 4.44Å; T1408-I1412 WeakPolarHBondContact O-CB 3.42Å; T1408-I1412 WeakPolarHBondContact O-CD1 3.39Å; T1408-I1412 WeakPolarHBondContact O-CG1 3.47Å; T1408-I1412 PolarHBondContact O-N 3.36Å; T1408-I1412 VanDerWaalsContact O-N 3.07Å; T1408-Y1449 HydrophobicContact CG2-CD1 4.29Å; T1408-Y1449 HydrophobicContact CG2-CE1 3.63Å
1409	R	62.7	Low	58.7	Low	78 Å²	78	61 Å²	61	29%	0.294	32%	0.316	S	S	.	.	H	α-helix	trans	-68.6	-39	177.5	-81.6	-177.7	-172.5	-142.6	-0.7	110.6	L1405 I1412 C1413 L1423 M1427 Y1449	L1405-R1409 WeakPolarHBondContact O-CB 3.35Å; L1405-R1409 WeakPolarHBondContact O-CG 2.73Å; L1405-R1409 PolarHBondContact O-N 3.36Å; R1409-I1412 PolarHBondContact O-N 2.98Å; R1409-C1413 WeakPolarHBondContact O-CB 3.47Å; R1409-C1413 PolarHBondContact O-N 3.19Å; R1409-C1413 PolarHBondContact O-SG 3.07Å; R1409-L1423 HydrophobicContact CB-CD2 3.87Å; R1409-L1423 HydrophobicContact CG-CD2 3.89Å; R1409-L1423 WeakPolarHBondContact O-CD2 3.03Å; R1409-M1427 HydrophobicContact CG-SD 4.41Å; R1409-Y1449 WeakPolarHBondContact CG-OH 2.81Å; R1409-Y1449 PolarHBondContact NE-OH 3.05Å
1410	Q	66.3	Low	58.8	Low	102 Å²	102	64.6 Å²	64.6	48%	0.477	33%	0.325	S	S	.	.	H	α-helix	trans	-68	-38.4	178.4	-171.7	143.6	4.3	0	0	111.3	G1406 T1408 I1412 C1413 E1414	G1406-Q1410 WeakPolarHBondContact O-CB 3.08Å; G1406-Q1410 PolarHBondContact O-N 3.5Å; G1406-Q1410 VanDerWaalsContact O-N 3.14Å; T1408-Q1410 VanDerWaalsContact C-N 3.3Å; T1408-Q1410 PolarHBondContact O-N 3.25Å; Q1410-I1412 VanDerWaalsContact C-N 3.33Å; Q1410-C1413 PolarHBondContact O-N 3.03Å; Q1410-E1414 HydrophobicContact CG-CG 4.49Å; Q1410-E1414 WeakPolarHBondContact O-CB 3.47Å; Q1410-E1414 VanDerWaalsContact O-CG 3.28Å; Q1410-E1414 WeakPolarHBondContact O-CG 3.43Å; Q1410-E1414 PolarHBondContact O-N 3.47Å
1411	I	60.7	Low	59.4	Low	53 Å²	53	70.7 Å²	70.7	27%	0.272	35%	0.35	S	S	.	.	H	α-helix	trans	-69.9	-34.1	178.7	-70.8	173.1	0	0	0	109.7	Q1407 T1408 K1415 V1606	Q1407-I1411 WeakPolarHBondContact O-CG1 3.24Å; Q1407-I1411 PolarHBondContact O-N 3.4Å; Q1407-I1411 VanDerWaalsContact O-N 3.1Å; T1408-I1411 PolarHBondContact O-N 2.37Å; I1411-K1415 WeakPolarHBondContact O-CB 3.49Å; I1411-K1415 PolarHBondContact O-N 3.39Å; I1411-V1606 HydrophobicContact CD1-CG1 3.92Å; I1411-V1606 HydrophobicContact CD1-CG2 4.37Å
1412	I	53.3	Low	59.8	Low	2 Å²	2	74.4 Å²	74.4	1%	0.01	37%	0.367	C	S	.	.	H	α-helix	trans	-76.4	-34.7	-179.2	-69.5	174.8	0	0	0	109	T1408 R1409 Q1410 Y1416 L1423 Y1449 C1453	T1408-I1412 HydrophobicContact CG2-CD1 3.9Å; T1408-I1412 HydrophobicContact CG2-CG1 4.44Å; T1408-I1412 WeakPolarHBondContact O-CB 3.42Å; T1408-I1412 WeakPolarHBondContact O-CD1 3.39Å; T1408-I1412 WeakPolarHBondContact O-CG1 3.47Å; T1408-I1412 PolarHBondContact O-N 3.36Å; T1408-I1412 VanDerWaalsContact O-N 3.07Å; R1409-I1412 PolarHBondContact O-N 2.98Å; Q1410-I1412 VanDerWaalsContact C-N 3.33Å; I1412-Y1416 HydrophobicContact CG2-CD2 4.4Å; I1412-Y1416 PolarHBondContact O-N 3.37Å; I1412-L1423 HydrophobicContact CB-CD1 4.27Å; I1412-L1423 HydrophobicContact CB-CD2 3.92Å; I1412-L1423 HydrophobicContact CD1-CD1 4.32Å; I1412-L1423 HydrophobicContact CG2-CD1 3.41Å; I1412-L1423 VanDerWaalsContact CG2-CD1 3.41Å; I1412-L1423 HydrophobicContact CG2-CD2 3.89Å; I1412-L1423 HydrophobicContact CG2-CG 4.25Å; I1412-Y1449 HydrophobicContact CD1-CE1 4.39Å; I1412-C1453 HydrophobicContact CD1-CB 3.61Å; I1412-C1453 WeakPolarHBondContact CD1-SG 3.35Å
1413	C	63.2	Low	60	Low	20 Å²	20	70 Å²	70	14%	0.135	34%	0.344	C	S	.	.	H	α-helix	trans	-76.5	0	-179.3	-76.9	0	0	0	0	110.2	R1409 Q1410 N1417 I1418 L1423	R1409-C1413 WeakPolarHBondContact O-CB 3.47Å; R1409-C1413 PolarHBondContact O-N 3.19Å; R1409-C1413 PolarHBondContact O-SG 3.07Å; Q1410-C1413 PolarHBondContact O-N 3.03Å; C1413-N1417 PolarHBondContact O-N 3.21Å; C1413-I1418 WeakPolarHBondContact CA-O 3.28Å; C1413-L1423 WeakPolarHBondContact SG-CD2 3.23Å
1414	E	67.1	Low	60	Low	140 Å²	140	65 Å²	65	65%	0.654	32%	0.324	S	S	*	.	H	α-helix		0	-30.2	0	-76.8	176.2	-180	0	0	111.3	Q1410	Q1410-E1414 HydrophobicContact CG-CG 4.49Å; Q1410-E1414 WeakPolarHBondContact O-CB 3.47Å; Q1410-E1414 VanDerWaalsContact O-CG 3.28Å; Q1410-E1414 WeakPolarHBondContact O-CG 3.43Å; Q1410-E1414 PolarHBondContact O-N 3.47Å
1415	K	55	Low	60.5	Low	92 Å²	92	67.7 Å²	67.7	40%	0.4	34%	0.338	S	S	.	.	H	α-helix	trans	-91.1	-24.8	-171.7	-165.6	166.9	-178.4	174.3	0	110.3	I1411 T1602	I1411-K1415 WeakPolarHBondContact O-CB 3.49Å; I1411-K1415 PolarHBondContact O-N 3.39Å; K1415-T1602 PolarHBondContact NZ-OG1 2.86Å
1416	Y	51.8	Low	60.2	Low	33 Å²	33	67.2 Å²	67.2	13%	0.129	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	20	-171.7	-69.1	-77.4	0	0	0	109.5	I1412 I1418 I1457 L1461 E1599	I1412-Y1416 HydrophobicContact CG2-CD2 4.4Å; I1412-Y1416 PolarHBondContact O-N 3.37Å; Y1416-I1418 HydrophobicContact CG-CD1 4.26Å; Y1416-I1418 WeakPolarHBondContact O-CG1 3.38Å; Y1416-I1418 PolarHBondContact O-N 2.86Å; Y1416-I1457 HydrophobicContact CD1-CB 4.33Å; Y1416-I1457 HydrophobicContact CD1-CD1 4.46Å; Y1416-I1457 HydrophobicContact CD1-CG1 4.16Å; Y1416-I1457 HydrophobicContact CD1-CG2 3.36Å; Y1416-I1457 HydrophobicContact CD2-CD1 3.5Å; Y1416-I1457 VanDerWaalsContact CD2-CD1 3.5Å; Y1416-I1457 HydrophobicContact CD2-CG1 3.73Å; Y1416-I1457 HydrophobicContact CD2-CG2 4.34Å; Y1416-I1457 HydrophobicContact CE1-CB 4.13Å; Y1416-I1457 HydrophobicContact CE1-CD1 4.08Å; Y1416-I1457 HydrophobicContact CE1-CG1 4.15Å; Y1416-I1457 HydrophobicContact CE1-CG2 2.91Å; Y1416-I1457 HydrophobicContact CE2-CD1 2.99Å; Y1416-I1457 HydrophobicContact CE2-CG1 3.71Å; Y1416-I1457 HydrophobicContact CE2-CG2 4.01Å; Y1416-I1457 HydrophobicContact CG-CD1 4.2Å; Y1416-I1457 HydrophobicContact CG-CG1 3.96Å; Y1416-I1457 HydrophobicContact CG-CG2 4.06Å; Y1416-L1461 HydrophobicContact CD1-CD1 3.24Å; Y1416-L1461 HydrophobicContact CD1-CD2 4.47Å; Y1416-L1461 HydrophobicContact CD1-CG 4.16Å; Y1416-L1461 HydrophobicContact CE1-CD1 3.19Å; Y1416-L1461 HydrophobicContact CE1-CG 4.48Å; Y1416-L1461 HydrophobicContact CG-CD1 4.5Å; Y1416-E1599 PolarHBondContact OH-OE2 3.11Å
1417	N	63.1	Low	59.6	Low	157 Å²	157	66 Å²	66	84%	0.84	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.4	38.5	175.5	-137.2	10.4	0	0	0	111.8	C1413	C1413-N1417 PolarHBondContact O-N 3.21Å
1418	I	54.7	Low	59.1	Low	6 Å²	6	62.5 Å²	62.5	3%	0.031	31%	0.31	C	S	.	.			trans	-103.7	115.6	179	-60.7	169.3	0	0	0	108.3	C1413 Y1416 K1420 E1422 L1423 I1457 T1460	C1413-I1418 WeakPolarHBondContact CA-O 3.28Å; Y1416-I1418 HydrophobicContact CG-CD1 4.26Å; Y1416-I1418 WeakPolarHBondContact O-CG1 3.38Å; Y1416-I1418 PolarHBondContact O-N 2.86Å; I1418-K1420 PolarHBondContact O-N 3.39Å; I1418-E1422 VanDerWaalsContact CA-OE2 3.23Å; I1418-E1422 WeakPolarHBondContact CA-OE2 3.28Å; I1418-E1422 HydrophobicContact CB-CB 4.4Å; I1418-E1422 HydrophobicContact CG2-CB 3.12Å; I1418-E1422 HydrophobicContact CG2-CG 4.31Å; I1418-E1422 WeakPolarHBondContact CG2-OE2 3.37Å; I1418-L1423 HydrophobicContact CG2-CB 4.28Å; I1418-I1457 HydrophobicContact CD1-CG1 4.48Å; I1418-T1460 HydrophobicContact CD1-CG2 4.43Å; I1418-T1460 HydrophobicContact CG1-CG2 4.44Å
1419	S	69.6	Low	58.5	Low	48 Å²	48	61.9 Å²	61.9	34%	0.336	31%	0.306	S	S	.	.			trans	-50.5	130.9	178.8	72.4	0	0	0	0	111.8	E1421 E1422 L1423	S1419-E1421 CarbonylContact O-C 3.55Å; S1419-E1421 PolarHBondContact O-N 3.5Å; S1419-E1422 VanDerWaalsContact C-N 3.26Å; S1419-E1422 PolarHBondContact N-OE2 2.34Å; S1419-E1422 VanDerWaalsContact N-OE2 3.08Å; S1419-E1422 CarbonylContact O-C 3.46Å; S1419-E1422 VanDerWaalsContact O-CA 3.28Å; S1419-E1422 WeakPolarHBondContact O-CA 3.31Å; S1419-E1422 VanDerWaalsContact O-CB 3.23Å; S1419-E1422 WeakPolarHBondContact O-CB 3.27Å; S1419-E1422 PolarHBondContact O-N 3.46Å; S1419-E1422 WeakPolarHBondContact OG-CA 3.43Å; S1419-E1422 WeakPolarHBondContact OG-CB 3.37Å; S1419-E1422 WeakPolarHBondContact OG-CG 3.29Å; S1419-E1422 PolarHBondContact OG-N 3.45Å; S1419-L1423 PolarHBondContact O-N 3.08Å
1420	K	64.1	Low	57.4	Low	160 Å²	160	61 Å²	61	70%	0.696	31%	0.312	S	S	*	.	H	α-helix	trans	-38.2	-29.1	173.5	-94.3	-175.9	-174	-179.5	0	111.2	I1418 A1424	I1418-K1420 PolarHBondContact O-N 3.39Å; K1420-A1424 WeakPolarHBondContact O-CB 3.34Å; K1420-A1424 PolarHBondContact O-N 2.8Å
1421	E	62.9	Low	55.9	Low	144 Å²	144	63.5 Å²	63.5	67%	0.673	33%	0.328	S	S	*	.	H	α-helix	trans	-76.4	-35.8	178.9	-105.3	159	-172.8	0	0	111.4	S1419 N1425	S1419-E1421 CarbonylContact O-C 3.55Å; S1419-E1421 PolarHBondContact O-N 3.5Å; E1421-N1425 WeakPolarHBondContact O-CA 3.33Å; E1421-N1425 WeakPolarHBondContact O-CB 1.99Å; E1421-N1425 PolarHBondContact O-N 2.82Å; E1421-N1425 PolarHBondContact O-ND2 3.16Å; E1421-N1425 PolarHBondContact O-OD1 2.81Å
1422	E	56	Low	54.8	Low	97 Å²	97	67.9 Å²	67.9	45%	0.453	35%	0.352	S	S	.	.	H	α-helix	trans	-71.8	-33.6	178.7	-88.7	175.9	174.6	0	0	110.9	I1418 S1419 A1426	I1418-E1422 VanDerWaalsContact CA-OE2 3.23Å; I1418-E1422 WeakPolarHBondContact CA-OE2 3.28Å; I1418-E1422 HydrophobicContact CB-CB 4.4Å; I1418-E1422 HydrophobicContact CG2-CB 3.12Å; I1418-E1422 HydrophobicContact CG2-CG 4.31Å; I1418-E1422 WeakPolarHBondContact CG2-OE2 3.37Å; S1419-E1422 VanDerWaalsContact C-N 3.26Å; S1419-E1422 PolarHBondContact N-OE2 2.34Å; S1419-E1422 VanDerWaalsContact N-OE2 3.08Å; S1419-E1422 CarbonylContact O-C 3.46Å; S1419-E1422 VanDerWaalsContact O-CA 3.28Å; S1419-E1422 WeakPolarHBondContact O-CA 3.31Å; S1419-E1422 VanDerWaalsContact O-CB 3.23Å; S1419-E1422 WeakPolarHBondContact O-CB 3.27Å; S1419-E1422 PolarHBondContact O-N 3.46Å; S1419-E1422 WeakPolarHBondContact OG-CA 3.43Å; S1419-E1422 WeakPolarHBondContact OG-CB 3.37Å; S1419-E1422 WeakPolarHBondContact OG-CG 3.29Å; S1419-E1422 PolarHBondContact OG-N 3.45Å; E1422-A1426 WeakPolarHBondContact O-CB 3.12Å; E1422-A1426 PolarHBondContact O-N 3.24Å
1423	L	61.7	Low	54.1	Low	2 Å²	2	72.4 Å²	72.4	1%	0.01	38%	0.379	C	S	.	.	H	α-helix	trans	-79.6	-37.4	176.4	-176.7	64.3	0	0	0	110	R1409 I1412 C1413 I1418 S1419 A1426 M1427 L1456	R1409-L1423 HydrophobicContact CB-CD2 3.87Å; R1409-L1423 HydrophobicContact CG-CD2 3.89Å; R1409-L1423 WeakPolarHBondContact O-CD2 3.03Å; I1412-L1423 HydrophobicContact CB-CD1 4.27Å; I1412-L1423 HydrophobicContact CB-CD2 3.92Å; I1412-L1423 HydrophobicContact CD1-CD1 4.32Å; I1412-L1423 HydrophobicContact CG2-CD1 3.41Å; I1412-L1423 VanDerWaalsContact CG2-CD1 3.41Å; I1412-L1423 HydrophobicContact CG2-CD2 3.89Å; I1412-L1423 HydrophobicContact CG2-CG 4.25Å; C1413-L1423 WeakPolarHBondContact SG-CD2 3.23Å; I1418-L1423 HydrophobicContact CG2-CB 4.28Å; S1419-L1423 PolarHBondContact O-N 3.08Å; L1423-A1426 PolarHBondContact O-N 2.7Å; L1423-M1427 HydrophobicContact CD1-CG 4.09Å; L1423-M1427 HydrophobicContact CD1-SD 3.69Å; L1423-M1427 HydrophobicContact CD2-SD 4.31Å; L1423-M1427 HydrophobicContact CG-CG 4.22Å; L1423-M1427 HydrophobicContact CG-SD 3.58Å; L1423-M1427 VanDerWaalsContact CG-SD 3.58Å; L1423-M1427 WeakPolarHBondContact O-CB 2.68Å; L1423-M1427 WeakPolarHBondContact O-CG 3.14Å; L1423-M1427 PolarHBondContact O-N 3.46Å; L1423-L1456 HydrophobicContact CD1-CD2 3.71Å
1424	A	62	Low	52.9	Low	22 Å²	22	78.6 Å²	78.6	18%	0.182	41%	0.411	C	S	.	.	H	α-helix	trans	-73	-31.9	177.9	0	0	0	0	0	110.4	K1420 M1427 N1428	K1420-A1424 WeakPolarHBondContact O-CB 3.34Å; K1420-A1424 PolarHBondContact O-N 2.8Å; A1424-M1427 PolarHBondContact O-N 3.11Å; A1424-N1428 PolarHBondContact O-N 3.23Å
1425	N	61.2	Low	51.5	Low	76 Å²	76	77.3 Å²	77.3	41%	0.406	41%	0.409	S	S	.	.	H	α-helix	trans	-78.2	-23.9	176.6	-73.6	-15.6	0	0	0	111.7	R5 E1421	R5-N1425 CovalentContact CZ-O 1.79Å; R5-N1425 PolarHBondContact NE-O 3.34Å; R5-N1425 PolarHBondContact NH1-O 3.46Å; R5-N1425 PolarHBondContact NH2-O 3.45Å; E1421-N1425 WeakPolarHBondContact O-CA 3.33Å; E1421-N1425 WeakPolarHBondContact O-CB 1.99Å; E1421-N1425 PolarHBondContact O-N 2.82Å; E1421-N1425 PolarHBondContact O-ND2 3.16Å; E1421-N1425 PolarHBondContact O-OD1 2.81Å
1426	A	51.1	Low	50.5	Low	22 Å²	22	75.4 Å²	75.4	18%	0.182	40%	0.403	C	S	.	.	H	α-helix	trans	-88.7	0	-179.2	0	0	0	0	0	110.4	E1422 L1423 L1456	E1422-A1426 WeakPolarHBondContact O-CB 3.12Å; E1422-A1426 PolarHBondContact O-N 3.24Å; L1423-A1426 PolarHBondContact O-N 2.7Å; A1426-L1456 HydrophobicContact CB-CB 4.37Å; A1426-L1456 HydrophobicContact CB-CD1 2.99Å; A1426-L1456 HydrophobicContact CB-CD2 3.02Å; A1426-L1456 HydrophobicContact CB-CG 3.57Å
1427	M	51.8	Low	49.6	Very low	6 Å²	6	81.2 Å²	81.2	3%	0.03	44%	0.435	C	S	.	.	H	α-helix		0	0	0	-69.6	-167.1	68.6	0	0	109.6	S6 R1409 L1423 A1424 E1429 Y1449	S6-M1427 WeakPolarHBondContact CB-O 3.42Å; S6-M1427 CovalentContact OG-O 1.66Å; S6-M1427 PolarHBondContact OG-O 2.82Å; R1409-M1427 HydrophobicContact CG-SD 4.41Å; L1423-M1427 HydrophobicContact CD1-CG 4.09Å; L1423-M1427 HydrophobicContact CD1-SD 3.69Å; L1423-M1427 HydrophobicContact CD2-SD 4.31Å; L1423-M1427 HydrophobicContact CG-CG 4.22Å; L1423-M1427 HydrophobicContact CG-SD 3.58Å; L1423-M1427 VanDerWaalsContact CG-SD 3.58Å; L1423-M1427 WeakPolarHBondContact O-CB 2.68Å; L1423-M1427 WeakPolarHBondContact O-CG 3.14Å; L1423-M1427 PolarHBondContact O-N 3.46Å; A1424-M1427 PolarHBondContact O-N 3.11Å; M1427-E1429 PolarHBondContact O-N 3.05Å; M1427-Y1449 HydrophobicContact CE-CD1 3.96Å; M1427-Y1449 HydrophobicContact CE-CD2 2.46Å; M1427-Y1449 HydrophobicContact CE-CE1 3.51Å; M1427-Y1449 CovalentContact CE-CE2 1.63Å; M1427-Y1449 HydrophobicContact CE-CE2 1.63Å; M1427-Y1449 HydrophobicContact CE-CG 3.54Å; M1427-Y1449 WeakPolarHBondContact CE-OH 3.16Å; M1427-Y1449 HydrophobicContact CG-CE2 4.43Å; M1427-Y1449 HydrophobicContact SD-CD2 4.21Å; M1427-Y1449 HydrophobicContact SD-CE1 4.39Å; M1427-Y1449 HydrophobicContact SD-CE2 3.18Å; M1427-Y1449 WeakPolarHBondContact SD-CE2 3.21Å; M1427-Y1449 PolarHBondContact SD-OH 3.24Å
1428	N	50.7	Low	48.3	Very low	37 Å²	37	76.2 Å²	76.2	20%	0.198	41%	0.408	C	S	.	.				0	0	0	-92.5	-12.5	0	0	0	110.9	R5 S6 S7 A1424	R5-N1428 CarbonylContact C-O 3.59Å; R5-N1428 VanDerWaalsContact CA-CA 3.46Å; R5-N1428 WeakPolarHBondContact CA-O 2.78Å; R5-N1428 CovalentContact CB-C 1.47Å; R5-N1428 HydrophobicContact CB-CB 3.8Å; R5-N1428 CovalentContact CB-O 1.38Å; R5-N1428 WeakPolarHBondContact CB-O 3.32Å; R5-N1428 VanDerWaalsContact CD-CA 3.46Å; R5-N1428 WeakPolarHBondContact CD-O 1.55Å; R5-N1428 HydrophobicContact CG-CB 3.91Å; R5-N1428 WeakPolarHBondContact CG-O 3.44Å; R5-N1428 CarbonylContact O-C 3.22Å; R5-N1428 VanDerWaalsContact O-O 3.11Å; S6-N1428 CarbonylContact O-C 3.48Å; S6-N1428 WeakPolarHBondContact O-CA 3.36Å; S6-N1428 WeakPolarHBondContact O-CB 3.38Å; S6-N1428 PolarHBondContact O-OD1 3.37Å; S6-N1428 WeakPolarHBondContact OG-CA 3.39Å; S6-N1428 PolarHBondContact OG-N 3.04Å; S6-N1428 VanDerWaalsContact OG-N 3.1Å; S7-N1428 WeakPolarHBondContact CB-OD1 3.38Å; S7-N1428 VanDerWaalsContact OG-CB 3.26Å; S7-N1428 WeakPolarHBondContact OG-CB 3.07Å; S7-N1428 PolarHBondContact OG-ND2 3.3Å; S7-N1428 PolarHBondContact OG-OD1 3.12Å; A1424-N1428 PolarHBondContact O-N 3.23Å
1429	E	40.2	Very low	47.5	Very low	3 Å²	3	79 Å²	79	1%	0.014	43%	0.427	C	S	.	.	B	Isolated β-bridge		0	0	0	-93.2	-172.6	179.5	0	0	109.1	R3 P4 R5 S6 N135 M1427 K1452	R3-E1429 HydrophobicContact CB-CG 4.22Å; P4-E1429 CovalentContact C-CB 0.57Å; P4-E1429 CarbonylContact C-O 3.38Å; P4-E1429 VanDerWaalsContact C-O 3.26Å; P4-E1429 VanDerWaalsContact CA-CA 3.43Å; P4-E1429 WeakPolarHBondContact CA-OE1 1.57Å; P4-E1429 WeakPolarHBondContact CA-OE2 3.47Å; P4-E1429 HydrophobicContact CB-CB 2.85Å; P4-E1429 HydrophobicContact CB-CG 3.03Å; P4-E1429 WeakPolarHBondContact CB-OE1 3.22Å; P4-E1429 CovalentContact CB-OE2 1.15Å; P4-E1429 WeakPolarHBondContact CB-OE2 3.23Å; P4-E1429 CovalentContact CD-CD 1.7Å; P4-E1429 WeakPolarHBondContact CD-OE1 2.68Å; P4-E1429 WeakPolarHBondContact CD-OE2 3.37Å; P4-E1429 HydrophobicContact CG-CB 3.7Å; P4-E1429 HydrophobicContact CG-CG 3.2Å; P4-E1429 WeakPolarHBondContact CG-OE1 3.05Å; P4-E1429 CovalentContact CG-OE2 1.01Å; P4-E1429 WeakPolarHBondContact CG-OE2 3.46Å; P4-E1429 CarbonylContact O-C 3.39Å; P4-E1429 WeakPolarHBondContact O-CA 2.8Å; P4-E1429 WeakPolarHBondContact O-CB 3.46Å; P4-E1429 CovalentContact O-CG 0.73Å; P4-E1429 WeakPolarHBondContact O-CG 3.29Å; P4-E1429 PolarHBondContact O-N 2.96Å; R5-E1429 CarbonylContact C-O 3.28Å; R5-E1429 CovalentContact CA-CA 0.53Å; R5-E1429 CovalentContact CA-N 1.04Å; R5-E1429 WeakPolarHBondContact CA-O 3.28Å; R5-E1429 HydrophobicContact CB-CB 2.28Å; R5-E1429 HydrophobicContact CB-CG 2.34Å; R5-E1429 CovalentContact CB-N 1.49Å; R5-E1429 HydrophobicContact CG-CB 2.59Å; R5-E1429 HydrophobicContact CG-CG 2.61Å; R5-E1429 CovalentContact N-C 1.46Å; R5-E1429 CovalentContact N-CA 1Å; R5-E1429 CovalentContact N-CB 1.27Å; R5-E1429 PolarHBondContact N-O 3.43Å; R5-E1429 CarbonylContact O-C 3.59Å; R5-E1429 WeakPolarHBondContact O-CA 3.14Å; R5-E1429 PolarHBondContact O-N 3.27Å; S6-E1429 PolarHBondContact N-O 2.98Å; S6-E1429 PolarHBondContact OG-N 1.8Å; N135-E1429 VanDerWaalsContact CG-OE1 3.31Å; N135-E1429 PolarHBondContact OD1-OE1 3.33Å; M1427-E1429 PolarHBondContact O-N 3.05Å; E1429-K1452 PolarHBondContact O-NZ 2.74Å; E1429-K1452 VanDerWaalsContact O-NZ 3.1Å
1430	S	38.7	Very low	45.9	Very low	60 Å²	60	77 Å²	77	42%	0.42	42%	0.415	S	S	.	.				0	0	0	66.2	0	0	0	0	109.4	R5 S6	R5-S1430 WeakPolarHBondContact O-CA 3.29Å; R5-S1430 PolarHBondContact O-N 3.3Å; S6-S1430 WeakPolarHBondContact CA-O 1.96Å; S6-S1430 CovalentContact N-N 1.63Å; S6-S1430 PolarHBondContact N-O 2.46Å; S6-S1430 PolarHBondContact N-OG 2.74Å
1431	D	33.9	Very low	44.9	Very low	153 Å²	153	74.9 Å²	74.9	82%	0.818	41%	0.405	S	S	*	.				0	0	0	-75	-25.8	0	0	0	111.5
1432	D	38.4	Very low	44	Very low	146 Å²	146	68.5 Å²	68.5	78%	0.781	38%	0.376	S	S	*	.				0	0	0	-88.1	-29	0	0	0	109.1
1433	V	38.2	Very low	43.5	Very low	96 Å²	96	66 Å²	66	58%	0.582	37%	0.365	S	S	*	.				0	0	0	-169.4	0	0	0	0	108.9	I1436	V1433-I1436 HydrophobicContact CG1-CD1 3.75Å
1434	D	37.7	Very low	42.6	Very low	150 Å²	150	70.3 Å²	70.3	80%	0.802	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn		0	0	0	-80.9	-30.4	0	0	0	109.8
1435	D	39.2	Very low	42	Very low	114 Å²	114	73.1 Å²	73.1	61%	0.61	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn		0	0	0	-86.9	-15	0	0	0	109.4	L1437	D1435-L1437 PolarHBondContact O-N 3.07Å
1436	I	32.6	Very low	41.3	Very low	52 Å²	52	70.7 Å²	70.7	27%	0.267	38%	0.382	S	S	.	.				0	52.6	0	-62.4	172.9	0	0	0	108.5	V1433 N1438 I1442	V1433-I1436 HydrophobicContact CG1-CD1 3.75Å; I1436-N1438 VanDerWaalsContact C-N 3.32Å; I1436-I1442 HydrophobicContact CG2-CD1 4.19Å; I1436-I1442 HydrophobicContact CG2-CG1 3.93Å
1437	L	34.7	Very low	41.1	Very low	155 Å²	155	74.1 Å²	74.1	81%	0.812	40%	0.396	S	S	*	.			trans	-107.2	0	173.3	-80.1	158.6	0	0	0	110.3	V1394 D1435	V1394-L1437 HydrophobicContact CG2-CD2 4.39Å; D1435-L1437 PolarHBondContact O-N 3.07Å
1438	N	35.6	Very low	40.9	Very low	51 Å²	51	80 Å²	80	27%	0.273	42%	0.422	S	S	.	.				0	110.4	0	-150.8	-26.1	0	0	0	109.3	I1436 G1440 K1441 I1442	I1436-N1438 VanDerWaalsContact C-N 3.32Å; N1438-G1440 PolarHBondContact O-N 3.44Å; N1438-G1440 VanDerWaalsContact O-N 3.1Å; N1438-K1441 HydrophobicContact CB-CB 4.07Å; N1438-K1441 HydrophobicContact CB-CD 4.14Å; N1438-K1441 HydrophobicContact CB-CG 3.88Å; N1438-K1441 PolarHBondContact O-N 3.28Å; N1438-I1442 PolarHBondContact O-N 2.92Å; N1438-I1442 VanDerWaalsContact O-N 3.15Å
1439	P	36.5	Very low	41	Very low	64 Å²	64	79.2 Å²	79.2	42%	0.416	42%	0.416	S	S	.	.	H	α-helix	trans	-42.1	-28.2	172	-0.6	1.4	0	0	0	111.8	R863 I1442 L1443	R863-P1439 PolarHBondContact NE-O 3.21Å; R863-P1439 PolarHBondContact NH2-O 2.96Å; P1439-I1442 PolarHBondContact O-N 3.14Å; P1439-L1443 PolarHBondContact O-N 3.49Å; P1439-L1443 VanDerWaalsContact O-N 3.11Å
1440	G	37	Very low	41.5	Very low	8 Å²	8	81.6 Å²	81.6	8%	0.082	43%	0.426	C	S	.	.	H	α-helix	trans	-65.7	-38.4	172.5	0	0	0	0	0	112.3	R863 N1438 L1444	R863-G1440 CovalentContact NH2-CA 0.73Å; R863-G1440 PolarHBondContact NH2-O 2.94Å; N1438-G1440 PolarHBondContact O-N 3.44Å; N1438-G1440 VanDerWaalsContact O-N 3.1Å; G1440-L1444 VanDerWaalsContact O-CB 3.3Å; G1440-L1444 WeakPolarHBondContact O-CB 3.23Å; G1440-L1444 PolarHBondContact O-N 3.36Å; G1440-L1444 VanDerWaalsContact O-N 3.08Å
1441	K	43.4	Very low	42	Very low	115 Å²	115	81 Å²	81	50%	0.5	43%	0.425	S	S	.	.	H	α-helix	trans	-84.5	0	-177.2	-74.8	-170.1	-179.6	178.1	0	110.7	N1438 F1445	N1438-K1441 HydrophobicContact CB-CB 4.07Å; N1438-K1441 HydrophobicContact CB-CD 4.14Å; N1438-K1441 HydrophobicContact CB-CG 3.88Å; N1438-K1441 PolarHBondContact O-N 3.28Å; K1441-F1445 VanDerWaalsContact O-CB 3.3Å; K1441-F1445 WeakPolarHBondContact O-CB 3.07Å; K1441-F1445 PolarHBondContact O-N 3.24Å
1442	I	43.7	Very low	42.9	Very low	10 Å²	10	77.3 Å²	77.3	5%	0.051	40%	0.402	C	S	.	.	H	α-helix		0	-35.6	0	-70.3	171.6	0	0	0	109.8	L1397 M1401 I1436 N1438 P1439 F1445 Q1446 L1614	L1397-I1442 HydrophobicContact CD2-CD1 3.69Å; M1401-I1442 HydrophobicContact CE-CB 4.24Å; M1401-I1442 HydrophobicContact CE-CG1 3.94Å; M1401-I1442 HydrophobicContact CE-CG2 3.63Å; M1401-I1442 HydrophobicContact SD-CB 4.45Å; M1401-I1442 HydrophobicContact SD-CD1 3.78Å; M1401-I1442 HydrophobicContact SD-CG1 3.75Å; M1401-I1442 HydrophobicContact SD-CG2 3.87Å; I1436-I1442 HydrophobicContact CG2-CD1 4.19Å; I1436-I1442 HydrophobicContact CG2-CG1 3.93Å; N1438-I1442 PolarHBondContact O-N 2.92Å; N1438-I1442 VanDerWaalsContact O-N 3.15Å; P1439-I1442 PolarHBondContact O-N 3.14Å; I1442-F1445 PolarHBondContact O-N 3.43Å; I1442-Q1446 WeakPolarHBondContact O-CG 3.46Å; I1442-Q1446 PolarHBondContact O-N 3.5Å; I1442-Q1446 VanDerWaalsContact O-N 3.14Å; I1442-L1614 HydrophobicContact CG2-CD1 4.4Å; I1442-L1614 HydrophobicContact CG2-CD2 3.35Å
1443	L	44.5	Very low	43.4	Very low	43 Å²	43	70.5 Å²	70.5	23%	0.225	37%	0.366	C	S	.	.	H	α-helix	trans	-74.2	-38.5	176.3	-158.3	85.9	0	0	0	110.7	P1439 F1445 Q1446 I1447	P1439-L1443 PolarHBondContact O-N 3.49Å; P1439-L1443 VanDerWaalsContact O-N 3.11Å; L1443-F1445 VanDerWaalsContact C-N 3.26Å; L1443-Q1446 PolarHBondContact O-N 2.92Å; L1443-I1447 WeakPolarHBondContact O-CG1 3.3Å; L1443-I1447 PolarHBondContact O-N 2.8Å
1444	L	44.4	Very low	43.9	Very low	93 Å²	93	71.5 Å²	71.5	49%	0.487	36%	0.36	S	S	.	.	H	α-helix	trans	-69.4	0	177.2	-133.2	109.3	0	0	0	110.2	G1440 K1448	G1440-L1444 VanDerWaalsContact O-CB 3.3Å; G1440-L1444 WeakPolarHBondContact O-CB 3.23Å; G1440-L1444 PolarHBondContact O-N 3.36Å; G1440-L1444 VanDerWaalsContact O-N 3.08Å; L1444-K1448 VanDerWaalsContact O-CB 3.3Å; L1444-K1448 WeakPolarHBondContact O-CB 3.05Å; L1444-K1448 WeakPolarHBondContact O-CG 3.06Å; L1444-K1448 PolarHBondContact O-N 3.2Å
1445	F	47.6	Very low	44.4	Very low	82 Å²	82	68.7 Å²	68.7	36%	0.36	35%	0.345	S	S	.	.	H	α-helix		0	-36.5	0	176.9	-100.1	0	0	0	110.1	M1401 L1405 K1441 I1442 L1443 Y1449	M1401-F1445 HydrophobicContact CE-CD1 4.42Å; L1405-F1445 HydrophobicContact CD1-CD1 4.46Å; L1405-F1445 HydrophobicContact CD1-CE1 3.47Å; L1405-F1445 VanDerWaalsContact CD1-CE1 3.47Å; L1405-F1445 HydrophobicContact CD1-CZ 4.18Å; L1405-F1445 HydrophobicContact CD2-CE1 3.94Å; L1405-F1445 HydrophobicContact CD2-CZ 4.26Å; L1405-F1445 HydrophobicContact CG-CE1 4.13Å; K1441-F1445 VanDerWaalsContact O-CB 3.3Å; K1441-F1445 WeakPolarHBondContact O-CB 3.07Å; K1441-F1445 PolarHBondContact O-N 3.24Å; I1442-F1445 PolarHBondContact O-N 3.43Å; L1443-F1445 VanDerWaalsContact C-N 3.26Å; F1445-Y1449 VanDerWaalsContact O-CB 3.27Å; F1445-Y1449 WeakPolarHBondContact O-CB 3.17Å; F1445-Y1449 PolarHBondContact O-N 3.14Å
1446	Q	47.3	Very low	45	Very low	25 Å²	25	64.9 Å²	64.9	12%	0.117	32%	0.324	C	S	.	.	H	α-helix	trans	-70.2	0	177	-76.1	-169.9	-26.9	0	0	111.2	I1442 L1443 F1450 L1614	I1442-Q1446 WeakPolarHBondContact O-CG 3.46Å; I1442-Q1446 PolarHBondContact O-N 3.5Å; I1442-Q1446 VanDerWaalsContact O-N 3.14Å; L1443-Q1446 PolarHBondContact O-N 2.92Å; Q1446-F1450 WeakPolarHBondContact O-CB 3.2Å; Q1446-F1450 PolarHBondContact O-N 3.15Å; Q1446-F1450 VanDerWaalsContact O-N 3.09Å; Q1446-L1614 HydrophobicContact CG-CD1 4.49Å; Q1446-L1614 VanDerWaalsContact OE1-CD1 3.26Å
1447	I	47	Very low	45.6	Very low	94 Å²	94	63 Å²	63	48%	0.482	32%	0.315	S	S	.	.	H	α-helix		0	-37.2	0	-71.2	175	0	0	0	109.1	L1443 A1451	L1443-I1447 WeakPolarHBondContact O-CG1 3.3Å; L1443-I1447 PolarHBondContact O-N 2.8Å; I1447-A1451 WeakPolarHBondContact O-CB 3.11Å; I1447-A1451 PolarHBondContact O-N 2.95Å
1448	K	48.1	Very low	46	Very low	129 Å²	129	58.5 Å²	58.5	56%	0.561	29%	0.294	S	S	*	.	H	α-helix	trans	-73.5	0	179.1	-78.1	-175.4	177.3	179.9	0	110.3	L1444 K1452	L1444-K1448 VanDerWaalsContact O-CB 3.3Å; L1444-K1448 WeakPolarHBondContact O-CB 3.05Å; L1444-K1448 WeakPolarHBondContact O-CG 3.06Å; L1444-K1448 PolarHBondContact O-N 3.2Å; K1448-K1452 WeakPolarHBondContact O-CB 3.25Å; K1448-K1452 WeakPolarHBondContact O-CG 3.26Å; K1448-K1452 PolarHBondContact O-N 3.17Å; K1448-K1452 VanDerWaalsContact O-N 3.08Å
1449	Y	53.1	Low	46.5	Very low	20 Å²	20	66.3 Å²	66.3	8%	0.078	32%	0.32	C	S	.	.	H	α-helix		0	-34.8	0	-174.2	-96.9	0	0	0	111.2	L1405 T1408 R1409 I1412 M1427 F1445 K1452 C1453	L1405-Y1449 HydrophobicContact CD2-CD2 3.72Å; L1405-Y1449 HydrophobicContact CD2-CE1 4.31Å; L1405-Y1449 HydrophobicContact CD2-CE2 3.45Å; L1405-Y1449 VanDerWaalsContact CD2-CE2 3.45Å; L1405-Y1449 HydrophobicContact CD2-CG 4.25Å; T1408-Y1449 HydrophobicContact CG2-CD1 4.29Å; T1408-Y1449 HydrophobicContact CG2-CE1 3.63Å; R1409-Y1449 WeakPolarHBondContact CG-OH 2.81Å; R1409-Y1449 PolarHBondContact NE-OH 3.05Å; I1412-Y1449 HydrophobicContact CD1-CE1 4.39Å; M1427-Y1449 HydrophobicContact CE-CD1 3.96Å; M1427-Y1449 HydrophobicContact CE-CD2 2.46Å; M1427-Y1449 HydrophobicContact CE-CE1 3.51Å; M1427-Y1449 CovalentContact CE-CE2 1.63Å; M1427-Y1449 HydrophobicContact CE-CE2 1.63Å; M1427-Y1449 HydrophobicContact CE-CG 3.54Å; M1427-Y1449 WeakPolarHBondContact CE-OH 3.16Å; M1427-Y1449 HydrophobicContact CG-CE2 4.43Å; M1427-Y1449 HydrophobicContact SD-CD2 4.21Å; M1427-Y1449 HydrophobicContact SD-CE1 4.39Å; M1427-Y1449 HydrophobicContact SD-CE2 3.18Å; M1427-Y1449 WeakPolarHBondContact SD-CE2 3.21Å; M1427-Y1449 PolarHBondContact SD-OH 3.24Å; F1445-Y1449 VanDerWaalsContact O-CB 3.27Å; F1445-Y1449 WeakPolarHBondContact O-CB 3.17Å; F1445-Y1449 PolarHBondContact O-N 3.14Å; Y1449-K1452 PolarHBondContact O-N 2.88Å; Y1449-C1453 PolarHBondContact O-N 3.48Å; Y1449-C1453 PolarHBondContact O-SG 3.39Å
1450	F	50	Low	46.8	Very low	53 Å²	53	66.9 Å²	66.9	23%	0.232	32%	0.322	C	S	.	.	H	α-helix	trans	-75.7	-39.5	178.7	-115.6	-84.4	0	0	0	110.6	Q1446 K1452 C1453 Y1454 M1603 F1607	Q1446-F1450 WeakPolarHBondContact O-CB 3.2Å; Q1446-F1450 PolarHBondContact O-N 3.15Å; Q1446-F1450 VanDerWaalsContact O-N 3.09Å; F1450-K1452 PolarHBondContact O-N 3.4Å; F1450-C1453 PolarHBondContact O-N 3.44Å; F1450-Y1454 VanDerWaalsContact O-CB 3.25Å; F1450-Y1454 WeakPolarHBondContact O-CB 3.45Å; F1450-Y1454 PolarHBondContact O-N 3.25Å; F1450-M1603 HydrophobicContact CD1-CE 4.36Å; F1450-M1603 HydrophobicContact CE1-CE 3.41Å; F1450-M1603 VanDerWaalsContact CE1-CE 3.41Å; F1450-M1603 HydrophobicContact CZ-CE 3.91Å; F1450-F1607 AromaticContact CD2-CD2 3.94Å; F1450-F1607 HydrophobicContact CD2-CD2 3.94Å; F1450-F1607 HydrophobicContact CD2-CE2 4.02Å; F1450-F1607 AromaticContact CE2-CD2 3.47Å; F1450-F1607 HydrophobicContact CE2-CD2 3.47Å; F1450-F1607 VanDerWaalsContact CE2-CD2 3.47Å; F1450-F1607 HydrophobicContact CE2-CE2 4.04Å; F1450-F1607 AromaticContact CZ-CD2 3.83Å; F1450-F1607 HydrophobicContact CZ-CD2 3.83Å
1451	A	49.4	Very low	46.7	Very low	48 Å²	48	71.4 Å²	71.4	40%	0.397	34%	0.343	S	S	.	.	H	α-helix	trans	-65.6	-32.8	178	0	0	0	0	0	110.2	I1447 N1455	I1447-A1451 WeakPolarHBondContact O-CB 3.11Å; I1447-A1451 PolarHBondContact O-N 2.95Å; A1451-N1455 WeakPolarHBondContact O-CB 3.27Å; A1451-N1455 PolarHBondContact O-N 3.18Å; A1451-N1455 PolarHBondContact O-ND2 3.27Å
1452	K	52.7	Low	46.1	Very low	75 Å²	75	68.8 Å²	68.8	33%	0.326	34%	0.344	S	S	.	.	H	α-helix	trans	-77.8	-39.6	179.4	-91	-176.2	-174.8	177.5	0	110.5	E1429 K1448 Y1449 F1450 Y1454 N1455 L1456	E1429-K1452 PolarHBondContact O-NZ 2.74Å; E1429-K1452 VanDerWaalsContact O-NZ 3.1Å; K1448-K1452 WeakPolarHBondContact O-CB 3.25Å; K1448-K1452 WeakPolarHBondContact O-CG 3.26Å; K1448-K1452 PolarHBondContact O-N 3.17Å; K1448-K1452 VanDerWaalsContact O-N 3.08Å; Y1449-K1452 PolarHBondContact O-N 2.88Å; F1450-K1452 PolarHBondContact O-N 3.4Å; K1452-Y1454 VanDerWaalsContact C-N 3.34Å; K1452-N1455 PolarHBondContact O-N 3.46Å; K1452-L1456 WeakPolarHBondContact O-CB 3.43Å; K1452-L1456 PolarHBondContact O-N 3.04Å
1453	C	49.1	Very low	45.4	Very low	3 Å²	3	73.1 Å²	73.1	2%	0.02	37%	0.372	C	S	.	.	H	α-helix	trans	-65.8	-32.2	174.3	-72	0	0	0	0	111.3	I1412 Y1449 F1450 L1456 I1457	I1412-C1453 HydrophobicContact CD1-CB 3.61Å; I1412-C1453 WeakPolarHBondContact CD1-SG 3.35Å; Y1449-C1453 PolarHBondContact O-N 3.48Å; Y1449-C1453 PolarHBondContact O-SG 3.39Å; F1450-C1453 PolarHBondContact O-N 3.44Å; C1453-L1456 PolarHBondContact O-N 2.9Å; C1453-I1457 WeakPolarHBondContact O-CB 2.85Å; C1453-I1457 WeakPolarHBondContact O-CD1 2.97Å; C1453-I1457 WeakPolarHBondContact O-CG1 3.43Å; C1453-I1457 PolarHBondContact O-N 3.17Å
1454	Y	47.5	Very low	44.6	Very low	117 Å²	117	79.2 Å²	79.2	46%	0.459	40%	0.4	S	S	.	.	H	α-helix	trans	-68.3	-43.2	176	174.9	-98.5	0	0	0	110.6	F1450 K1452 L1456 I1457 T1458	F1450-Y1454 VanDerWaalsContact O-CB 3.25Å; F1450-Y1454 WeakPolarHBondContact O-CB 3.45Å; F1450-Y1454 PolarHBondContact O-N 3.25Å; K1452-Y1454 VanDerWaalsContact C-N 3.34Å; Y1454-L1456 VanDerWaalsContact C-N 3.28Å; Y1454-I1457 PolarHBondContact O-N 2.8Å; Y1454-T1458 HydrophobicContact CE1-CG2 4.34Å; Y1454-T1458 HydrophobicContact CE2-CG2 4.38Å; Y1454-T1458 VanDerWaalsContact O-CB 3.3Å; Y1454-T1458 WeakPolarHBondContact O-CB 3.43Å; Y1454-T1458 PolarHBondContact O-N 3.4Å; Y1454-T1458 PolarHBondContact O-OG1 3.25Å
1455	N	50	Low	43.8	Very low	91 Å²	91	79 Å²	79	49%	0.487	40%	0.404	S	S	.	.	H	α-helix	trans	-71.8	-29.9	-179.6	-87	-37.4	0	0	0	110.8	A1451 K1452 T1458 R1459	A1451-N1455 WeakPolarHBondContact O-CB 3.27Å; A1451-N1455 PolarHBondContact O-N 3.18Å; A1451-N1455 PolarHBondContact O-ND2 3.27Å; K1452-N1455 PolarHBondContact O-N 3.46Å; N1455-T1458 VanDerWaalsContact C-OG1 3.3Å; N1455-T1458 WeakPolarHBondContact CA-OG1 2.58Å; N1455-T1458 PolarHBondContact O-OG1 3.03Å; N1455-T1458 VanDerWaalsContact O-OG1 3.11Å; N1455-R1459 WeakPolarHBondContact O-CB 3.48Å; N1455-R1459 WeakPolarHBondContact O-CG 1.89Å; N1455-R1459 PolarHBondContact O-N 2.91Å
1456	L	49.9	Very low	43	Very low	34 Å²	34	78 Å²	78	18%	0.178	41%	0.407	C	S	.	.	H	α-helix	trans	-78	-33.2	177.7	-172.4	70	0	0	0	110.4	L1423 A1426 K1452 C1453 Y1454 R1459 T1460	L1423-L1456 HydrophobicContact CD1-CD2 3.71Å; A1426-L1456 HydrophobicContact CB-CB 4.37Å; A1426-L1456 HydrophobicContact CB-CD1 2.99Å; A1426-L1456 HydrophobicContact CB-CD2 3.02Å; A1426-L1456 HydrophobicContact CB-CG 3.57Å; K1452-L1456 WeakPolarHBondContact O-CB 3.43Å; K1452-L1456 PolarHBondContact O-N 3.04Å; C1453-L1456 PolarHBondContact O-N 2.9Å; Y1454-L1456 VanDerWaalsContact C-N 3.28Å; L1456-R1459 PolarHBondContact O-N 3.3Å; L1456-T1460 VanDerWaalsContact C-OG1 3.27Å; L1456-T1460 WeakPolarHBondContact O-CB 3.12Å; L1456-T1460 PolarHBondContact O-N 3.29Å; L1456-T1460 PolarHBondContact O-OG1 3.23Å
1457	I	46.3	Very low	42.2	Very low	13 Å²	13	82.4 Å²	82.4	7%	0.067	44%	0.436	C	S	.	.	H	α-helix	trans	-76.2	-29.9	179.1	-69	171.9	0	0	0	109.4	Y1416 I1418 C1453 Y1454 R1459 T1460 L1461	Y1416-I1457 HydrophobicContact CD1-CB 4.33Å; Y1416-I1457 HydrophobicContact CD1-CD1 4.46Å; Y1416-I1457 HydrophobicContact CD1-CG1 4.16Å; Y1416-I1457 HydrophobicContact CD1-CG2 3.36Å; Y1416-I1457 HydrophobicContact CD2-CD1 3.5Å; Y1416-I1457 VanDerWaalsContact CD2-CD1 3.5Å; Y1416-I1457 HydrophobicContact CD2-CG1 3.73Å; Y1416-I1457 HydrophobicContact CD2-CG2 4.34Å; Y1416-I1457 HydrophobicContact CE1-CB 4.13Å; Y1416-I1457 HydrophobicContact CE1-CD1 4.08Å; Y1416-I1457 HydrophobicContact CE1-CG1 4.15Å; Y1416-I1457 HydrophobicContact CE1-CG2 2.91Å; Y1416-I1457 HydrophobicContact CE2-CD1 2.99Å; Y1416-I1457 HydrophobicContact CE2-CG1 3.71Å; Y1416-I1457 HydrophobicContact CE2-CG2 4.01Å; Y1416-I1457 HydrophobicContact CG-CD1 4.2Å; Y1416-I1457 HydrophobicContact CG-CG1 3.96Å; Y1416-I1457 HydrophobicContact CG-CG2 4.06Å; I1418-I1457 HydrophobicContact CD1-CG1 4.48Å; C1453-I1457 WeakPolarHBondContact O-CB 2.85Å; C1453-I1457 WeakPolarHBondContact O-CD1 2.97Å; C1453-I1457 WeakPolarHBondContact O-CG1 3.43Å; C1453-I1457 PolarHBondContact O-N 3.17Å; Y1454-I1457 PolarHBondContact O-N 2.8Å; I1457-R1459 VanDerWaalsContact C-N 3.35Å; I1457-T1460 WeakPolarHBondContact CA-OG1 3.33Å; I1457-T1460 PolarHBondContact O-N 3.36Å; I1457-T1460 PolarHBondContact O-OG1 2.96Å; I1457-L1461 HydrophobicContact CB-CD1 4.18Å; I1457-L1461 HydrophobicContact CG2-CD1 2.88Å; I1457-L1461 HydrophobicContact CG2-CG 4.22Å; I1457-L1461 WeakPolarHBondContact O-CB 2.4Å; I1457-L1461 WeakPolarHBondContact O-CD1 3.34Å; I1457-L1461 VanDerWaalsContact O-CG 3.29Å; I1457-L1461 WeakPolarHBondContact O-CG 3.06Å; I1457-L1461 PolarHBondContact O-N 2.76Å
1458	T	43.4	Very low	41.5	Very low	61 Å²	61	81.4 Å²	81.4	37%	0.374	44%	0.437	S	S	.	.	H	α-helix	trans	-83.3	0	-179.1	23.2	0	0	0	0	109.9	Y1454 N1455	Y1454-T1458 HydrophobicContact CE1-CG2 4.34Å; Y1454-T1458 HydrophobicContact CE2-CG2 4.38Å; Y1454-T1458 VanDerWaalsContact O-CB 3.3Å; Y1454-T1458 WeakPolarHBondContact O-CB 3.43Å; Y1454-T1458 PolarHBondContact O-N 3.4Å; Y1454-T1458 PolarHBondContact O-OG1 3.25Å; N1455-T1458 VanDerWaalsContact C-OG1 3.3Å; N1455-T1458 WeakPolarHBondContact CA-OG1 2.58Å; N1455-T1458 PolarHBondContact O-OG1 3.03Å; N1455-T1458 VanDerWaalsContact O-OG1 3.11Å
1459	R	46	Very low	40.8	Very low	215 Å²	215	80.8 Å²	80.8	81%	0.811	44%	0.435	S	S	*	.	H	α-helix		0	0	0	-94.8	-175.3	-177.7	165.5	0.6	110.5	N1455 L1456 I1457	N1455-R1459 WeakPolarHBondContact O-CB 3.48Å; N1455-R1459 WeakPolarHBondContact O-CG 1.89Å; N1455-R1459 PolarHBondContact O-N 2.91Å; L1456-R1459 PolarHBondContact O-N 3.3Å; I1457-R1459 VanDerWaalsContact C-N 3.35Å
1460	T	41.9	Very low	39.8	Very low	76 Å²	76	84.9 Å²	84.9	47%	0.466	46%	0.458	S	S	.	.	H	α-helix		0	0	0	24.9	0	0	0	0	110.1	I1418 L1456 I1457	I1418-T1460 HydrophobicContact CD1-CG2 4.43Å; I1418-T1460 HydrophobicContact CG1-CG2 4.44Å; L1456-T1460 VanDerWaalsContact C-OG1 3.27Å; L1456-T1460 WeakPolarHBondContact O-CB 3.12Å; L1456-T1460 PolarHBondContact O-N 3.29Å; L1456-T1460 PolarHBondContact O-OG1 3.23Å; I1457-T1460 WeakPolarHBondContact CA-OG1 3.33Å; I1457-T1460 PolarHBondContact O-N 3.36Å; I1457-T1460 PolarHBondContact O-OG1 2.96Å
1461	L	34.6	Very low	39.2	Very low	102 Å²	102	87 Å²	87	53%	0.534	47%	0.471	S	S	.	.	S	Bend		0	0	0	-78.9	155	0	0	0	109.5	Y1416 I1457	Y1416-L1461 HydrophobicContact CD1-CD1 3.24Å; Y1416-L1461 HydrophobicContact CD1-CD2 4.47Å; Y1416-L1461 HydrophobicContact CD1-CG 4.16Å; Y1416-L1461 HydrophobicContact CE1-CD1 3.19Å; Y1416-L1461 HydrophobicContact CE1-CG 4.48Å; Y1416-L1461 HydrophobicContact CG-CD1 4.5Å; I1457-L1461 HydrophobicContact CB-CD1 4.18Å; I1457-L1461 HydrophobicContact CG2-CD1 2.88Å; I1457-L1461 HydrophobicContact CG2-CG 4.22Å; I1457-L1461 WeakPolarHBondContact O-CB 2.4Å; I1457-L1461 WeakPolarHBondContact O-CD1 3.34Å; I1457-L1461 VanDerWaalsContact O-CG 3.29Å; I1457-L1461 WeakPolarHBondContact O-CG 3.06Å; I1457-L1461 PolarHBondContact O-N 2.76Å
1462	A	31	Very low	38.5	Very low	61 Å²	61	90.8 Å²	90.8	50%	0.504	48%	0.48	S	S	.	.	S	Bend		0	0	0	0	0	0	0	0	109.4	Q1464	A1462-Q1464 PolarHBondContact O-N 3.35Å; A1462-Q1464 VanDerWaalsContact O-N 3.08Å
1463	P	28.7	Very low	37.6	Very low	101 Å²	101	90.5 Å²	90.5	66%	0.656	48%	0.482	S	S	*	.				0	0	0	17.2	3	0	0	0	111.8	F1592	P1463-F1592 HydrophobicContact CG-CZ 4.45Å
1464	Q	29.7	Very low	37	Very low	170 Å²	170	95.3 Å²	95.3	79%	0.794	50%	0.504	S	S	*	.				0	0	0	-66.9	-79.6	13.1	0	0	111	A1462 S1466	A1462-Q1464 PolarHBondContact O-N 3.35Å; A1462-Q1464 VanDerWaalsContact O-N 3.08Å; Q1464-S1466 VanDerWaalsContact C-N 3.29Å; Q1464-S1466 PolarHBondContact O-N 3.19Å
1465	P	27.4	Very low	36.5	Very low	89 Å²	89	94.6 Å²	94.6	58%	0.578	51%	0.508	S	S	*	.				0	0	0	20.8	-3.6	0	0	0	111.7	T1467	P1465-T1467 PolarHBondContact O-N 3.13Å
1466	S	29	Very low	35.9	Very low	62 Å²	62	96.9 Å²	96.9	43%	0.434	52%	0.516	S	S	.	.				0	99.9	0	65.9	0	0	0	0	111.6	Q1464 S1468 F1469	Q1464-S1466 VanDerWaalsContact C-N 3.29Å; Q1464-S1466 PolarHBondContact O-N 3.19Å; S1466-S1468 PolarHBondContact O-N 2.79Å; S1466-S1468 PolarHBondContact OG-OG 2.65Å; S1466-F1469 PolarHBondContact O-N 2.93Å; S1466-F1469 VanDerWaalsContact O-N 3.08Å
1467	T	32.5	Very low	35.1	Very low	116 Å²	116	100.7 Å²	100.7	71%	0.712	54%	0.536	S	S	*	.	H	α-helix	trans	-8.9	0	149.2	49.2	0	0	0	0	111.1	P1465 N1471	P1465-T1467 PolarHBondContact O-N 3.13Å; T1467-N1471 WeakPolarHBondContact O-CB 3.42Å; T1467-N1471 VanDerWaalsContact O-CG 3.22Å; T1467-N1471 PolarHBondContact O-ND2 3.15Å
1468	S	32.3	Very low	34.4	Very low	73 Å²	73	106.1 Å²	106.1	51%	0.51	56%	0.561	S	S	.	*	H	α-helix		0	0	0	72.5	0	0	0	0	110.9	S1466 Q1472	S1466-S1468 PolarHBondContact O-N 2.79Å; S1466-S1468 PolarHBondContact OG-OG 2.65Å; S1468-Q1472 WeakPolarHBondContact O-CB 3.42Å; S1468-Q1472 PolarHBondContact O-N 3.33Å
1469	F	31.8	Very low	34	Very low	117 Å²	117	107.2 Å²	107.2	51%	0.513	57%	0.571	S	S	.	*	H	α-helix		0	0	0	-177.9	-106.1	0	0	0	110.1	S1466 I1473	S1466-F1469 PolarHBondContact O-N 2.93Å; S1466-F1469 VanDerWaalsContact O-N 3.08Å; F1469-I1473 HydrophobicContact CD1-CD1 3.9Å; F1469-I1473 HydrophobicContact CE1-CD1 3.42Å; F1469-I1473 VanDerWaalsContact CE1-CD1 3.42Å; F1469-I1473 HydrophobicContact CE2-CD1 4.34Å; F1469-I1473 HydrophobicContact CZ-CD1 3.68Å; F1469-I1473 WeakPolarHBondContact O-CG1 3.24Å; F1469-I1473 PolarHBondContact O-N 2.65Å
1470	L	32.8	Very low	33.4	Very low	106 Å²	106	101.9 Å²	101.9	56%	0.555	56%	0.557	S	S	*	*	H	α-helix		0	-11.6	0	-79.1	-178.8	0	0	0	110.4	Q1474	L1470-Q1474 WeakPolarHBondContact O-CB 3.46Å; L1470-Q1474 PolarHBondContact O-N 3.43Å; L1470-Q1474 VanDerWaalsContact O-N 3.12Å
1471	N	36.6	Very low	32.8	Very low	96 Å²	96	104.6 Å²	104.6	51%	0.513	57%	0.569	S	S	.	*	H	α-helix	trans	-99	0	173.5	-82.1	-22	0	0	0	111	T1467 D1475	T1467-N1471 WeakPolarHBondContact O-CB 3.42Å; T1467-N1471 VanDerWaalsContact O-CG 3.22Å; T1467-N1471 PolarHBondContact O-ND2 3.15Å; N1471-D1475 WeakPolarHBondContact O-CB 3.07Å; N1471-D1475 PolarHBondContact O-N 3.27Å
1472	Q	36	Very low	32.6	Very low	128 Å²	128	106.6 Å²	106.6	60%	0.598	58%	0.58	S	S	*	*	H	α-helix		0	0	0	-121.1	172.9	26.9	0	0	110.8	S1468 H1476	S1468-Q1472 WeakPolarHBondContact O-CB 3.42Å; S1468-Q1472 PolarHBondContact O-N 3.33Å; Q1472-H1476 WeakPolarHBondContact O-CB 3.45Å; Q1472-H1476 PolarHBondContact O-N 2.82Å
1473	I	33.5	Very low	32.7	Very low	70 Å²	70	112 Å²	112	36%	0.359	59%	0.592	S	S	.	*	H	α-helix		0	-21.2	0	-68.8	-178.2	0	0	0	108.9	F1469 L1477	F1469-I1473 HydrophobicContact CD1-CD1 3.9Å; F1469-I1473 HydrophobicContact CE1-CD1 3.42Å; F1469-I1473 VanDerWaalsContact CE1-CD1 3.42Å; F1469-I1473 HydrophobicContact CE2-CD1 4.34Å; F1469-I1473 HydrophobicContact CZ-CD1 3.68Å; F1469-I1473 WeakPolarHBondContact O-CG1 3.24Å; F1469-I1473 PolarHBondContact O-N 2.65Å; I1473-L1477 HydrophobicContact CG2-CD1 3.37Å; I1473-L1477 WeakPolarHBondContact O-CB 3.33Å; I1473-L1477 WeakPolarHBondContact O-CD1 3.01Å; I1473-L1477 WeakPolarHBondContact O-CG 2.8Å; I1473-L1477 PolarHBondContact O-N 2.71Å
1474	Q	35.5	Very low	32.9	Very low	103 Å²	103	111.3 Å²	111.3	48%	0.481	58%	0.583	S	S	.	*	H	α-helix	trans	-89.7	0	172	-173.6	87.5	5.6	0	0	110.3	L1470 E1478	L1470-Q1474 WeakPolarHBondContact O-CB 3.46Å; L1470-Q1474 PolarHBondContact O-N 3.43Å; L1470-Q1474 VanDerWaalsContact O-N 3.12Å; Q1474-E1478 PolarHBondContact NE2-OE1 3.04Å; Q1474-E1478 WeakPolarHBondContact O-CB 3.45Å; Q1474-E1478 WeakPolarHBondContact O-CG 3.39Å; Q1474-E1478 PolarHBondContact O-N 3.34Å; Q1474-E1478 VanDerWaalsContact O-N 3.15Å
1475	D	37.3	Very low	33.2	Very low	102 Å²	102	108.9 Å²	108.9	55%	0.545	57%	0.571	S	S	.	*	H	α-helix		0	0	0	-86.3	-11	0	0	0	110.5	N1471	N1471-D1475 WeakPolarHBondContact O-CB 3.07Å; N1471-D1475 PolarHBondContact O-N 3.27Å
1476	H	37.7	Very low	33.4	Very low	140 Å²	140	110.4 Å²	110.4	65%	0.648	57%	0.571	S	S	*	*	H	α-helix		0	0	0	-111.6	-51.5	0	0	0	110.6	Q1472	Q1472-H1476 WeakPolarHBondContact O-CB 3.45Å; Q1472-H1476 PolarHBondContact O-N 2.82Å
1477	L	33.5	Very low	33.8	Very low	114 Å²	114	113.1 Å²	113.1	60%	0.597	58%	0.577	S	S	*	*	H	α-helix		0	-0.2	0	-98.3	137.9	0	0	0	109.9	I1473	I1473-L1477 HydrophobicContact CG2-CD1 3.37Å; I1473-L1477 WeakPolarHBondContact O-CB 3.33Å; I1473-L1477 WeakPolarHBondContact O-CD1 3.01Å; I1473-L1477 WeakPolarHBondContact O-CG 2.8Å; I1473-L1477 PolarHBondContact O-N 2.71Å
1478	E	32.3	Very low	34	Very low	127 Å²	127	112.7 Å²	112.7	59%	0.593	57%	0.569	S	S	*	*	S	Bend	trans	-115.4	0	179	-95.7	171.6	-175.6	0	0	109.9	Q1474	Q1474-E1478 PolarHBondContact NE2-OE1 3.04Å; Q1474-E1478 WeakPolarHBondContact O-CB 3.45Å; Q1474-E1478 WeakPolarHBondContact O-CG 3.39Å; Q1474-E1478 PolarHBondContact O-N 3.34Å; Q1474-E1478 VanDerWaalsContact O-N 3.15Å
1479	S	34.5	Very low	34.1	Very low	83 Å²	83	113.8 Å²	113.8	58%	0.58	57%	0.567	S	S	*	*	S	Bend		0	0	0	121.8	0	0	0	0	109.8
1480	I	31.8	Very low	34.6	Very low	104 Å²	104	112.3 Å²	112.3	53%	0.533	56%	0.563	S	S	.	*	S	Bend		0	0	0	-66.5	174.6	0	0	0	108	D1484	I1480-D1484 HydrophobicContact CG2-CB 4.36Å
1481	N	30.3	Very low	34.7	Very low	132 Å²	132	112.7 Å²	112.7	71%	0.706	57%	0.565	S	S	*	*				0	109.2	0	-100.7	3.5	0	0	0	112	K1483 D1484	N1481-K1483 PolarHBondContact O-N 3.24Å; N1481-D1484 PolarHBondContact O-N 3.32Å; N1481-D1484 VanDerWaalsContact O-N 3.08Å
1482	D	31.1	Very low	34.5	Very low	145 Å²	145	114.9 Å²	114.9	78%	0.775	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-25.4	0	163.7	-89.8	-16.5	0	0	0	111.7
1483	K	33.2	Very low	34.3	Very low	173 Å²	173	117 Å²	117	75%	0.752	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn		0	0	0	-102.6	-177.3	-178.8	171	0	110.5	N1481	N1481-K1483 PolarHBondContact O-N 3.24Å
1484	D	32.4	Very low	34.3	Very low	87 Å²	87	120.2 Å²	120.2	47%	0.465	59%	0.59	S	S	.	*	H	α-helix		0	0	0	-74.6	-21.4	0	0	0	109.6	I1480 N1481 L1488	I1480-D1484 HydrophobicContact CG2-CB 4.36Å; N1481-D1484 PolarHBondContact O-N 3.32Å; N1481-D1484 VanDerWaalsContact O-N 3.08Å; D1484-L1488 WeakPolarHBondContact O-CB 3.08Å; D1484-L1488 PolarHBondContact O-N 3.21Å
1485	H	35	Very low	34.1	Very low	119 Å²	119	124.8 Å²	124.8	55%	0.551	61%	0.609	S	S	*	*	H	α-helix		0	-13.1	0	-122.3	-50.5	0	0	0	110.6	E1489	H1485-E1489 WeakPolarHBondContact O-CB 3.45Å; H1485-E1489 PolarHBondContact O-N 3.24Å
1486	Q	33.2	Very low	33.8	Very low	122 Å²	122	128.8 Å²	128.8	57%	0.57	62%	0.621	S	S	*	*	H	α-helix	trans	-97.8	-17.5	173.5	-106.4	175.3	3.4	0	0	110.8	I1490	Q1486-I1490 HydrophobicContact CB-CD1 4.44Å; Q1486-I1490 WeakPolarHBondContact O-CB 3.4Å; Q1486-I1490 WeakPolarHBondContact O-CD1 3.41Å; Q1486-I1490 WeakPolarHBondContact O-CG1 2.85Å; Q1486-I1490 PolarHBondContact O-N 3.49Å
1487	E	36.5	Very low	33.2	Very low	118 Å²	118	132.8 Å²	132.8	55%	0.551	63%	0.63	S	S	*	*	H	α-helix	trans	-94.6	-17.8	176.8	-105.3	-175.8	176.1	0	0	110.4	L1491	E1487-L1491 WeakPolarHBondContact O-CB 3.15Å; E1487-L1491 WeakPolarHBondContact O-CD1 3.05Å; E1487-L1491 WeakPolarHBondContact O-CG 3.37Å; E1487-L1491 PolarHBondContact O-N 3.43Å
1488	L	36	Very low	32.9	Very low	107 Å²	107	136.1 Å²	136.1	56%	0.56	64%	0.643	S	S	*	*	H	α-helix	trans	-95	-17	174.7	-145.3	98.5	0	0	0	110.2	D1484 M1492	D1484-L1488 WeakPolarHBondContact O-CB 3.08Å; D1484-L1488 PolarHBondContact O-N 3.21Å; L1488-M1492 WeakPolarHBondContact O-CB 2.92Å; L1488-M1492 WeakPolarHBondContact O-CG 2.95Å; L1488-M1492 PolarHBondContact O-N 3.37Å
1489	E	34.4	Very low	32.5	Very low	97 Å²	97	135.6 Å²	135.6	45%	0.453	65%	0.653	S	S	.	*	H	α-helix	trans	-93.3	0	171.1	-140.1	179.6	175.4	0	0	110.8	H1485 R1493	H1485-E1489 WeakPolarHBondContact O-CB 3.45Å; H1485-E1489 PolarHBondContact O-N 3.24Å; E1489-R1493 WeakPolarHBondContact O-CB 3.36Å; E1489-R1493 WeakPolarHBondContact O-CD 3.31Å; E1489-R1493 WeakPolarHBondContact O-CG 2.99Å; E1489-R1493 PolarHBondContact O-N 2.83Å; E1489-R1493 IonicContact OE1-NH2 3.56Å
1490	I	42.6	Very low	32	Very low	86 Å²	86	136.5 Å²	136.5	44%	0.441	66%	0.66	S	S	.	*	H	α-helix		0	0	0	-68.7	172	0	0	0	109.2	Q1486 Q1494	Q1486-I1490 HydrophobicContact CB-CD1 4.44Å; Q1486-I1490 WeakPolarHBondContact O-CB 3.4Å; Q1486-I1490 WeakPolarHBondContact O-CD1 3.41Å; Q1486-I1490 WeakPolarHBondContact O-CG1 2.85Å; Q1486-I1490 PolarHBondContact O-N 3.49Å; I1490-Q1494 WeakPolarHBondContact O-CB 3.49Å; I1490-Q1494 VanDerWaalsContact O-CG 3.29Å; I1490-Q1494 WeakPolarHBondContact O-CG 3.29Å; I1490-Q1494 PolarHBondContact O-N 3.48Å; I1490-Q1494 VanDerWaalsContact O-N 3.08Å
1491	L	34.3	Very low	31.6	Very low	114 Å²	114	139.3 Å²	139.3	60%	0.597	68%	0.675	S	S	*	*	H	α-helix		0	0	0	-86.4	167.2	0	0	0	110.1	E1487	E1487-L1491 WeakPolarHBondContact O-CB 3.15Å; E1487-L1491 WeakPolarHBondContact O-CD1 3.05Å; E1487-L1491 WeakPolarHBondContact O-CG 3.37Å; E1487-L1491 PolarHBondContact O-N 3.43Å
1492	M	32.3	Very low	31.4	Very low	142 Å²	142	138.1 Å²	138.1	70%	0.7	68%	0.677	S	S	*	*	H	α-helix		0	0	0	-76.9	-115.3	-85.5	0	0	110.2	L1488	L1488-M1492 WeakPolarHBondContact O-CB 2.92Å; L1488-M1492 WeakPolarHBondContact O-CG 2.95Å; L1488-M1492 PolarHBondContact O-N 3.37Å
1493	R	32.5	Very low	31.1	Very low	171 Å²	171	142.6 Å²	142.6	65%	0.645	68%	0.683	S	S	*	*	H	α-helix		0	-6.6	0	-87.2	-175.6	-175.5	-175.3	-0.1	110.3	E1489	E1489-R1493 WeakPolarHBondContact O-CB 3.36Å; E1489-R1493 WeakPolarHBondContact O-CD 3.31Å; E1489-R1493 WeakPolarHBondContact O-CG 2.99Å; E1489-R1493 PolarHBondContact O-N 2.83Å; E1489-R1493 IonicContact OE1-NH2 3.56Å
1494	Q	33.2	Very low	30.8	Very low	139 Å²	139	140.1 Å²	140.1	65%	0.65	68%	0.683	S	S	*	*	H	α-helix	trans	-104.1	0	178.1	-97	-178.3	-12.6	0	0	110.2	I1490	I1490-Q1494 WeakPolarHBondContact O-CB 3.49Å; I1490-Q1494 VanDerWaalsContact O-CG 3.29Å; I1490-Q1494 WeakPolarHBondContact O-CG 3.29Å; I1490-Q1494 PolarHBondContact O-N 3.48Å; I1490-Q1494 VanDerWaalsContact O-N 3.08Å
1495	K	32.2	Very low	30.4	Very low	199 Å²	199	145.2 Å²	145.2	87%	0.865	70%	0.703	S	S	*	*	S	Bend		0	0	0	-133.9	-178.3	179.9	176.7	0	110
1496	K	31.4	Very low	29.9	Very low	185 Å²	185	143.1 Å²	143.1	80%	0.804	71%	0.714	S	S	*	*	S	Bend		0	0	0	-134.4	178.1	-178.8	178.4	0	110.1
1497	R	24.6	Very low	29.5	Very low	224 Å²	224	146.4 Å²	146.4	85%	0.845	72%	0.723	S	S	*	*				0	54.4	0	-85.6	-170.9	174.9	172.7	-0.8	109.5
1498	Q	26.8	Very low	28.9	Very low	185 Å²	185	149.1 Å²	149.1	86%	0.864	74%	0.74	S	S	*	*	S	Bend	trans	-158.7	79.9	157.8	-85.8	-167	-7.4	0	0	109.2
1499	S	25.2	Very low	28.4	Very low	116 Å²	116	152.8 Å²	152.8	81%	0.811	75%	0.754	S	S	*	*	S	Bend		147.2	0	116.3	60.3	0	0	0	0	109.4
1500	S	23	Very low	28	Very low	102 Å²	102	152.5 Å²	152.5	71%	0.713	76%	0.763	S	S	*	*				0	0	0	75.5	0	0	0	0	111
1501	L	24.1	Very low	27.1	Very low	162 Å²	162	156.8 Å²	156.8	85%	0.848	79%	0.786	S	S	*	*				0	0	0	-85.5	155.9	0	0	0	109.3
1502	S	25.9	Very low	26.7	Very low	107 Å²	107	156.9 Å²	156.9	75%	0.748	80%	0.796	S	S	*	*				0	102.7	0	71.8	0	0	0	0	109.8
1503	W	24.2	Very low	26.4	Very low	240 Å²	240	161.8 Å²	161.8	91%	0.909	81%	0.807	S	S	*	*				7	0	114.5	-76.4	74	0	0	0	111.2
1504	T	26.7	Very low	26.1	Very low	121 Å²	121	161.1 Å²	161.1	74%	0.742	82%	0.816	S	S	*	*				0	0	0	45	0	0	0	0	108.9
1505	E	23.8	Very low	25.9	Very low	193 Å²	193	159.4 Å²	159.4	90%	0.902	82%	0.817	S	S	*	*				0	0	0	-115	174	-178.9	0	0	109.8
1506	G	25.4	Very low	25.5	Very low	75 Å²	75	155.9 Å²	155.9	77%	0.773	81%	0.812	S	S	*	*				0	0	0	0	0	0	0	0	110
1507	Y	23.9	Very low	25.2	Very low	191 Å²	191	154.7 Å²	154.7	75%	0.749	81%	0.813	S	S	*	*	S	Bend		0	0	0	-123.4	-93.8	0	0	0	108.9
1508	L	25.2	Very low	25.2	Very low	175 Å²	175	151.2 Å²	151.2	92%	0.916	81%	0.812	S	S	*	*	S	Bend		0	0	0	-92.9	164.2	0	0	0	109
1509	E	24.5	Very low	25.1	Very low	185 Å²	185	148.7 Å²	148.7	86%	0.864	81%	0.809	S	S	*	*				0	0	0	-115.2	172	-178.6	0	0	109.7
1510	S	26.4	Very low	25.1	Very low	91 Å²	91	146.3 Å²	146.3	64%	0.636	80%	0.802	S	S	*	*	S	Bend		0	0	0	42.9	0	0	0	0	109.5
1511	L	24.5	Very low	25.3	Very low	175 Å²	175	151.2 Å²	151.2	92%	0.916	81%	0.805	S	S	*	*	S	Bend		0	61.7	0	-81.2	161.1	0	0	0	109.3
1512	S	25.2	Very low	25.3	Very low	116 Å²	116	149.3 Å²	149.3	81%	0.811	80%	0.796	S	S	*	*			trans	-175.7	69.1	147.1	81	0	0	0	0	109.4
1513	R	26	Very low	25.3	Very low	245 Å²	245	154.6 Å²	154.6	93%	0.925	80%	0.8	S	S	*	*			trans	-105.9	87.6	154.4	-91.5	-177	-171.6	-171.2	-0.2	109.8
1514	N	25.9	Very low	25.3	Very low	158 Å²	158	147.1 Å²	147.1	85%	0.845	78%	0.78	S	S	*	*				-164.5	0	113.9	-94	-38.8	0	0	0	109.8
1515	P	29.7	Very low	25.2	Very low	103 Å²	103	148.9 Å²	148.9	67%	0.669	78%	0.783	S	S	*	*				0	133.9	0	33.8	-4.7	0	0	0	112
1516	V	23.1	Very low	25.3	Very low	125 Å²	125	142.5 Å²	142.5	76%	0.758	77%	0.769	S	S	*	*				66.8	117.7	123.6	-179.8	0	0	0	0	109.2
1517	L	24.6	Very low	25.2	Very low	159 Å²	159	143.5 Å²	143.5	83%	0.832	76%	0.764	S	S	*	*				161.6	0	109.8	-73.6	175.4	0	0	0	109.1
1518	N	25.7	Very low	25.2	Very low	152 Å²	152	139.8 Å²	139.8	81%	0.813	76%	0.762	S	S	*	*				0	121.1	0	-128.2	1.9	0	0	0	112.2
1519	V	24.7	Very low	25.2	Very low	132 Å²	132	140 Å²	140	80%	0.8	76%	0.758	S	S	*	*				148.2	113.6	113.7	177.7	0	0	0	0	107.7
1520	G	25.8	Very low	25.2	Very low	66 Å²	66	136.3 Å²	136.3	68%	0.68	75%	0.752	S	S	*	*				105.8	105.8	101.6	0	0	0	0	0	111
1521	R	25.8	Very low	25.2	Very low	205 Å²	205	140.6 Å²	140.6	77%	0.774	76%	0.762	S	S	*	*				43.1	123.2	108.6	-104.4	-176.9	-176.9	149.6	-1.4	111.4
1522	N	25.5	Very low	25.2	Very low	122 Å²	122	143 Å²	143	65%	0.652	76%	0.759	S	S	*	*				138.4	114.9	117.9	-95.1	-10.4	0	0	0	109.7
1523	R	25.7	Very low	25.2	Very low	218 Å²	218	141.7 Å²	141.7	82%	0.823	75%	0.75	S	S	*	*				76.8	120.5	101.5	-107.8	-174.4	-156.2	-169	-0.8	110.5
1524	V	24.1	Very low	25.1	Very low	82 Å²	82	141.1 Å²	141.1	50%	0.497	75%	0.748	S	S	.	*				122	109.3	112.1	177.5	0	0	0	0	108.3
1525	I	23.5	Very low	24.9	Very low	159 Å²	159	142.3 Å²	142.3	82%	0.815	75%	0.746	S	S	*	*				112	110.8	107.4	-61.8	175.2	0	0	0	108.4
1526	G	25.3	Very low	24.6	Very low	58 Å²	58	143.4 Å²	143.4	60%	0.598	75%	0.746	S	S	*	*				118.4	0	110.5	0	0	0	0	0	110.4
1527	S	23.6	Very low	24.6	Very low	97 Å²	97	141.5 Å²	141.5	68%	0.678	74%	0.735	S	S	*	*				0	117.8	0	0.7	0	0	0	0	110.3
1528	T	24.2	Very low	24.6	Very low	113 Å²	113	139.5 Å²	139.5	69%	0.693	72%	0.723	S	S	*	*				108.9	111.6	101	52.1	0	0	0	0	109.3
1529	E	26.1	Very low	24.5	Very low	180 Å²	180	139 Å²	139	84%	0.841	72%	0.721	S	S	*	*				132	0	108.7	-95.9	-179.1	177.1	0	0	109.6
1530	S	24.1	Very low	24.6	Very low	106 Å²	106	136.8 Å²	136.8	74%	0.741	72%	0.716	S	S	*	*				0	113	0	156.7	0	0	0	0	111.3
1531	E	26.7	Very low	24.7	Very low	181 Å²	181	141.2 Å²	141.2	85%	0.846	72%	0.724	S	S	*	*			trans	-168.2	103.1	137.4	-90.9	-175.9	171.2	0	0	109.6
1532	R	24.2	Very low	25	Very low	226 Å²	226	135.4 Å²	135.4	85%	0.853	71%	0.712	S	S	*	*				65.1	108.1	89.4	-126.4	171.7	-170.9	-170.5	-0.8	110.8
1533	S	24.2	Very low	25	Very low	88 Å²	88	135.2 Å²	135.2	62%	0.615	71%	0.711	S	S	*	*				134.4	100.8	115.2	70.9	0	0	0	0	109.5
1534	R	25	Very low	25.2	Very low	233 Å²	233	130.8 Å²	130.8	88%	0.879	70%	0.704	S	S	*	*				148.1	0	115.8	-91.8	-169.5	-158.8	164.4	-0.9	109.4
1535	F	22	Very low	25.3	Very low	184 Å²	184	130.8 Å²	130.8	81%	0.807	71%	0.708	S	S	*	*				0	113.9	0	-103.9	-84.9	0	0	0	110.9
1536	N	23.5	Very low	25.5	Very low	126 Å²	126	132.6 Å²	132.6	67%	0.674	71%	0.71	S	S	*	*			trans	116.2	108.4	130.8	-85.9	-13.9	0	0	0	110.2
1537	V	23	Very low	25.6	Very low	85 Å²	85	133.3 Å²	133.3	52%	0.515	71%	0.71	S	S	.	*				91.8	106.2	107.3	177.5	0	0	0	0	108.7
1538	I	23.4	Very low	25.7	Very low	116 Å²	116	134.7 Å²	134.7	60%	0.595	71%	0.708	S	S	*	*				114	103.2	113.6	-64.6	176.8	0	0	0	108.4
1539	D	24.3	Very low	25.9	Very low	142 Å²	142	137.3 Å²	137.3	76%	0.759	71%	0.713	S	S	*	*				130	100.9	112.8	-91.2	-17.2	0	0	0	109.5
1540	A	27.3	Very low	26	Very low	85 Å²	85	133.4 Å²	133.4	70%	0.702	71%	0.705	S	S	*	*				126.1	86.1	106.4	0	0	0	0	0	109.2
1541	L	28.1	Very low	26.2	Very low	160 Å²	160	133.5 Å²	133.5	84%	0.838	71%	0.706	S	S	*	*				41	157.7	115	-94.3	138.7	0	0	0	111.2
1542	P	32.1	Very low	26.5	Very low	82 Å²	82	128.8 Å²	128.8	53%	0.532	69%	0.691	S	S	.	*			cis	-171.5	143.4	23.1	33.7	-5.2	0	0	0	112.2
1543	D	25.7	Very low	26.6	Very low	118 Å²	118	124 Å²	124	63%	0.631	68%	0.682	S	S	*	*				123.3	105.2	108.8	-95.7	-13.4	0	0	0	109.7
1544	D	28.5	Very low	26.6	Very low	126 Å²	126	126.2 Å²	126.2	67%	0.674	69%	0.687	S	S	*	*				131.1	104.4	101.9	-83.3	-20	0	0	0	109.4
1545	S	27.1	Very low	26.6	Very low	82 Å²	82	121.1 Å²	121.1	57%	0.573	68%	0.681	S	S	*	*				101.7	105.8	86.7	34.9	0	0	0	0	110
1546	K	27.5	Very low	26.8	Very low	197 Å²	197	115.1 Å²	115.1	86%	0.857	67%	0.671	S	S	*	*				126	105.4	98.3	-92.3	-175	-175.3	-177.1	0	109.7
1547	A	26.4	Very low	26.9	Very low	73 Å²	73	113.8 Å²	113.8	60%	0.603	67%	0.672	S	S	*	*				120.2	101.7	93.2	0	0	0	0	0	109.6
1548	I	26.1	Very low	27.1	Very low	126 Å²	126	116.3 Å²	116.3	65%	0.646	68%	0.683	S	S	*	*				138.4	98.8	105	-64.5	175.6	0	0	0	108.2
1549	Q	27.9	Very low	27.2	Very low	167 Å²	167	114.8 Å²	114.8	78%	0.78	68%	0.682	S	S	*	*				134.6	97.4	107.1	-94.5	-176.8	5.5	0	0	109.7
1550	S	29.4	Very low	27.2	Very low	98 Å²	98	116.2 Å²	116.2	69%	0.685	68%	0.684	S	S	*	*				110.3	0	100.7	47.5	0	0	0	0	109.9
1551	S	28.7	Very low	27.2	Very low	108 Å²	108	120 Å²	120	76%	0.755	68%	0.68	S	S	*	*				0	144.1	0	-59.4	0	0	0	0	110.8
1552	P	32.2	Very low	27	Very low	83 Å²	83	117.1 Å²	117.1	54%	0.539	67%	0.674	S	S	.	*			cis	171.1	138.1	4.3	34.7	-5.2	0	0	0	112.1
1553	N	26	Very low	26.8	Very low	124 Å²	124	120.1 Å²	120.1	66%	0.663	68%	0.675	S	S	*	*				131.4	107.2	116.1	-84	-28.9	0	0	0	110.3
1554	L	24.8	Very low	26.8	Very low	136 Å²	136	120.9 Å²	120.9	71%	0.712	68%	0.677	S	S	*	*				101.5	104.4	95.6	-105.4	131.1	0	0	0	110.1
1555	V	25.2	Very low	26.6	Very low	125 Å²	125	122 Å²	122	76%	0.758	68%	0.678	S	S	*	*				123.5	113.1	108.8	176.1	0	0	0	0	108.4
1556	G	26.6	Very low	26.7	Very low	59 Å²	59	123.6 Å²	123.6	61%	0.608	68%	0.679	S	S	*	*				104.2	112.7	102.5	0	0	0	0	0	110.7
1557	S	25	Very low	26.7	Very low	98 Å²	98	122 Å²	122	69%	0.685	68%	0.675	S	S	*	*				107	119.6	101.7	59.6	0	0	0	0	110.1
1558	D	26.5	Very low	26.7	Very low	138 Å²	138	124 Å²	124	74%	0.738	68%	0.675	S	S	*	*				118.2	107.6	114	-81.6	-18.5	0	0	0	109.8
1559	S	25.7	Very low	26.8	Very low	84 Å²	84	125 Å²	125	59%	0.587	68%	0.675	S	S	*	*				81.8	105.4	100.1	64.8	0	0	0	0	110.6
1560	E	25	Very low	26.8	Very low	171 Å²	171	126.2 Å²	126.2	80%	0.799	67%	0.673	S	S	*	*				96.5	103.6	109.2	-128.7	151.1	177.6	0	0	110.5
1561	R	25.9	Very low	26.7	Very low	164 Å²	164	130.6 Å²	130.6	62%	0.619	68%	0.679	S	S	*	*				40.1	103.3	98.9	-145.9	170.8	-166.3	-146.3	-1.7	111.3	R1563	R1561-R1563 VanDerWaalsContact NE-CZ 3.32Å
1562	S	25.3	Very low	26.6	Very low	101 Å²	101	129.6 Å²	129.6	71%	0.706	67%	0.672	S	S	*	*				169.5	102.5	122.8	54.6	0	0	0	0	110
1563	R	27.2	Very low	26.3	Very low	145 Å²	145	134.6 Å²	134.6	55%	0.547	69%	0.685	S	S	.	*				65.2	98.3	79.5	-141.3	-178.5	-146.5	159.4	0.7	110.8	R1561	R1561-R1563 VanDerWaalsContact NE-CZ 3.32Å
1564	I	25.5	Very low	26.3	Very low	133 Å²	133	139.7 Å²	139.7	68%	0.682	70%	0.695	S	S	*	*				-173.2	100.3	122.9	-63.7	174.1	0	0	0	108.1
1565	E	25.3	Very low	26.3	Very low	149 Å²	149	145 Å²	145	70%	0.696	71%	0.706	S	S	*	*				120.3	102.4	85.3	-128.6	175.6	-178.8	0	0	110.1
1566	I	27.5	Very low	26.3	Very low	116 Å²	116	144.1 Å²	144.1	60%	0.595	71%	0.705	S	S	*	*				159.3	98.4	97	-64.3	174.2	0	0	0	108.1
1567	Q	27.7	Very low	26.1	Very low	163 Å²	163	152.7 Å²	152.7	76%	0.762	72%	0.719	S	S	*	*				130.8	104.3	96.9	-100.6	178.5	-1	0	0	109.6
1568	D	27.3	Very low	26.1	Very low	115 Å²	115	157.6 Å²	157.6	62%	0.615	73%	0.728	S	S	*	*				112.8	0	89.7	-105.5	-11.8	0	0	0	109.8
1569	K	29	Very low	25.9	Very low	148 Å²	148	155.7 Å²	155.7	64%	0.643	73%	0.726	S	S	*	*				0	108.9	0	-87.6	-174.9	-177.7	-179.4	0	109.9
1570	R	26.8	Very low	25.8	Very low	193 Å²	193	161 Å²	161	73%	0.728	74%	0.741	S	S	*	*				83.9	0	91.3	-84	-170.7	178.6	157.1	0.9	110.2
1571	K	28.3	Very low	25.7	Very low	190 Å²	190	158.1 Å²	158.1	83%	0.826	75%	0.747	S	S	*	*				0	110.5	0	-95.2	-177.2	-178	-179.8	0	109.5
1572	S	26.5	Very low	25.7	Very low	87 Å²	87	154 Å²	154	61%	0.608	76%	0.755	S	S	*	*				81.7	0	78.7	-176.2	0	0	0	0	110.4
1573	K	26.1	Very low	26.1	Very low	187 Å²	187	154.8 Å²	154.8	81%	0.813	76%	0.758	S	S	*	*				0	115.8	0	-118.2	176	-177.9	171.9	0	109.7
1574	R	25.9	Very low	25.9	Very low	232 Å²	232	154 Å²	154	88%	0.875	77%	0.769	S	S	*	*				155.5	0	104.7	-100.8	-173.5	174.8	-177.8	1.1	109.4
1575	R	23	Very low	25.9	Very low	247 Å²	247	152.4 Å²	152.4	93%	0.932	77%	0.77	S	S	*	*				0	120.8	0	-116.4	178	-175.8	-176.8	1.1	110.7
1576	S	25.1	Very low	25.9	Very low	107 Å²	107	152.9 Å²	152.9	75%	0.748	78%	0.777	S	S	*	*				143.5	115.1	102.1	153	0	0	0	0	109.5
1577	R	23.4	Very low	25.9	Very low	238 Å²	238	155.9 Å²	155.9	90%	0.898	79%	0.794	S	S	*	*				59.5	0	100.6	-85.1	-173.8	179.5	165.4	-0.8	110.6
1578	K	24.4	Very low	25.8	Very low	201 Å²	201	154.3 Å²	154.3	87%	0.874	79%	0.791	S	S	*	*				0	113.2	0	-130.6	170.8	-176.9	175.3	0	109.5
1579	S	22.6	Very low	25.8	Very low	99 Å²	99	157.8 Å²	157.8	69%	0.692	80%	0.8	S	S	*	*				39	112.8	110.1	77.6	0	0	0	0	111.1
1580	E	24.5	Very low	26.1	Very low	194 Å²	194	154.6 Å²	154.6	91%	0.907	79%	0.793	S	S	*	*			trans	-172.5	104.8	134.9	-102.9	-179.9	177.7	0	0	109.4
1581	A	23.4	Very low	26	Very low	112 Å²	112	152.8 Å²	152.8	93%	0.926	79%	0.791	S	S	*	*				-5.8	122.9	124.6	0	0	0	0	0	111.6
1582	G	26	Very low	25.9	Very low	76 Å²	76	149.9 Å²	149.9	78%	0.784	78%	0.779	S	S	*	*				-179.1	0	121.2	0	0	0	0	0	110.3
1583	P	32.5	Very low	26.2	Very low	119 Å²	119	151 Å²	151	77%	0.773	78%	0.778	S	S	*	*				0	139.9	0	34	-5.1	0	0	0	111.9
1584	V	23.7	Very low	26.4	Very low	127 Å²	127	147.7 Å²	147.7	77%	0.77	77%	0.769	S	S	*	*			trans	168.4	0	136.4	-175.4	0	0	0	0	107.9
1585	S	25.7	Very low	26.5	Very low	101 Å²	101	141.5 Å²	141.5	71%	0.706	75%	0.753	S	S	*	*				0	0	0	56.1	0	0	0	0	110.1
1586	N	25.1	Very low	26.9	Very low	158 Å²	158	133.8 Å²	133.8	85%	0.845	73%	0.73	S	S	*	*				0	0	0	-89	-24.8	0	0	0	111.1
1587	L	26.6	Very low	27.3	Very low	180 Å²	180	133.9 Å²	133.9	94%	0.942	72%	0.722	S	S	*	*				0	0	0	-98.4	136.6	0	0	0	109.4
1588	D	26.1	Very low	28	Very low	130 Å²	130	130.5 Å²	130.5	70%	0.695	71%	0.714	S	S	*	*				0	0	0	-127.3	-5.3	0	0	0	111.7	T1590	D1588-T1590 PolarHBondContact OD1-OG1 3.09Å
1589	F	28.1	Very low	28.5	Very low	187 Å²	187	124.6 Å²	124.6	82%	0.82	69%	0.689	S	S	*	*	S	Bend		0	0	0	-88	-82.9	0	0	0	110.9
1590	T	33.6	Very low	29.1	Very low	81 Å²	81	125.5 Å²	125.5	50%	0.497	69%	0.685	S	S	.	*				0	0	0	52.5	0	0	0	0	109.3	D1588	D1588-T1590 PolarHBondContact OD1-OG1 3.09Å
1591	F	26.3	Very low	29.5	Very low	156 Å²	156	122 Å²	122	68%	0.684	67%	0.672	S	S	*	*	H	α-helix		0	0	0	-176.9	-99.8	0	0	0	109.6
1592	F	25.7	Very low	30.4	Very low	128 Å²	128	120.2 Å²	120.2	56%	0.561	65%	0.649	S	S	*	*	H	α-helix		0	0	0	-94.6	-79.4	0	0	0	110.2	P1463 L1596	P1463-F1592 HydrophobicContact CG-CZ 4.45Å; F1592-L1596 WeakPolarHBondContact O-CD1 3.37Å
1593	D	31.7	Very low	31	Very low	110 Å²	110	117.8 Å²	117.8	59%	0.588	62%	0.618	S	S	*	*	H	α-helix		0	-11.7	0	-91	-17	0	0	0	109.9
1594	N	30.9	Very low	31.4	Very low	118 Å²	118	114.8 Å²	114.8	63%	0.631	60%	0.603	S	S	*	*	H	α-helix	trans	-104.3	0	-177.2	-83.8	-23.2	0	0	0	110.5
1595	L	28.8	Very low	32.2	Very low	102 Å²	102	112.5 Å²	112.5	53%	0.534	59%	0.591	S	S	.	*	H	α-helix		0	0	0	-153.2	78.8	0	0	0	110.1	E1599	L1595-E1599 WeakPolarHBondContact O-CG 3.47Å
1596	L	31.3	Very low	33	Very low	85 Å²	85	109.6 Å²	109.6	45%	0.445	57%	0.569	S	S	.	*	H	α-helix		0	-10.4	0	-96.5	146.2	0	0	0	110.7	F1592	F1592-L1596 WeakPolarHBondContact O-CD1 3.37Å
1597	N	33.3	Very low	33.8	Very low	110 Å²	110	105.8 Å²	105.8	59%	0.588	55%	0.545	S	S	*	.	H	α-helix	trans	-105.4	0	-178.7	-91.7	-20.9	0	0	0	110.4	I1601	N1597-I1601 WeakPolarHBondContact O-CD1 3.41Å; N1597-I1601 WeakPolarHBondContact O-CG1 3.21Å
1598	K	37	Very low	34.5	Very low	167 Å²	167	99.6 Å²	99.6	73%	0.726	52%	0.52	S	S	*	.	H	α-helix		0	0	0	-111	-179.8	179.2	-179.6	0	110.1	T1602	K1598-T1602 PolarHBondContact O-OG1 3.31Å
1599	E	36.4	Very low	35.4	Very low	77 Å²	77	101.3 Å²	101.3	36%	0.36	52%	0.521	S	S	.	.	H	α-helix		0	0	0	-79.5	-133.9	166.9	0	0	110.3	Y1416 L1595 T1602	Y1416-E1599 PolarHBondContact OH-OE2 3.11Å; L1595-E1599 WeakPolarHBondContact O-CG 3.47Å; E1599-T1602 VanDerWaalsContact CA-OG1 3.31Å; E1599-T1602 WeakPolarHBondContact CA-OG1 2.96Å; E1599-T1602 PolarHBondContact O-OG1 2.86Å
1600	L	33.7	Very low	36.1	Very low	117 Å²	117	92.8 Å²	92.8	61%	0.613	49%	0.485	S	S	*	.	H	α-helix		0	0	0	-140.5	95.8	0	0	0	110.9
1601	I	33.6	Very low	36.6	Very low	122 Å²	122	90.2 Å²	90.2	63%	0.626	47%	0.469	S	S	*	.	H	α-helix		0	-17.2	0	-70.7	172.8	0	0	0	108.8	N1597	N1597-I1601 WeakPolarHBondContact O-CD1 3.41Å; N1597-I1601 WeakPolarHBondContact O-CG1 3.21Å
1602	T	41.7	Very low	37.3	Very low	73 Å²	73	88.4 Å²	88.4	45%	0.448	46%	0.464	S	S	.	.	H	α-helix	trans	-91.5	0	-177.9	36.6	0	0	0	0	109.9	K1415 K1598 E1599	K1415-T1602 PolarHBondContact NZ-OG1 2.86Å; K1598-T1602 PolarHBondContact O-OG1 3.31Å; E1599-T1602 VanDerWaalsContact CA-OG1 3.31Å; E1599-T1602 WeakPolarHBondContact CA-OG1 2.96Å; E1599-T1602 PolarHBondContact O-OG1 2.86Å
1603	M	38.7	Very low	38	Very low	26 Å²	26	85 Å²	85	13%	0.128	46%	0.455	C	S	.	.	H	α-helix		0	-7.4	0	-77	-88.5	-82.8	0	0	110.1	F1450 V1606 F1607	F1450-M1603 HydrophobicContact CD1-CE 4.36Å; F1450-M1603 HydrophobicContact CE1-CE 3.41Å; F1450-M1603 VanDerWaalsContact CE1-CE 3.41Å; F1450-M1603 HydrophobicContact CZ-CE 3.91Å; M1603-V1606 PolarHBondContact O-N 3.09Å; M1603-F1607 PolarHBondContact O-N 3.27Å
1604	A	42.1	Very low	38.4	Very low	56 Å²	56	80.8 Å²	80.8	46%	0.463	43%	0.433	S	S	.	.	H	α-helix	trans	-69.1	-33.1	-176.8	0	0	0	0	0	110.7	V1606 A1608	A1604-V1606 PolarHBondContact O-N 3.37Å; A1604-A1608 WeakPolarHBondContact O-CB 2.57Å; A1604-A1608 PolarHBondContact O-N 2.41Å
1605	P	39.9	Very low	38.7	Very low	78 Å²	78	76.7 Å²	76.7	51%	0.506	41%	0.413	S	S	.	.	H	α-helix	trans	-79.6	-22.4	178.4	-4.8	7.1	0	0	0	111.5	K1609	P1605-K1609 WeakPolarHBondContact O-CB 3.4Å; P1605-K1609 PolarHBondContact O-N 3.32Å
1606	V	42	Very low	39.2	Very low	41 Å²	41	78.9 Å²	78.9	25%	0.248	42%	0.418	C	S	.	.	H	α-helix	trans	-80.7	-33.1	178.8	176.9	0	0	0	0	109.7	I1411 M1603 A1604 A1608 K1609 S1610	I1411-V1606 HydrophobicContact CD1-CG1 3.92Å; I1411-V1606 HydrophobicContact CD1-CG2 4.37Å; M1603-V1606 PolarHBondContact O-N 3.09Å; A1604-V1606 PolarHBondContact O-N 3.37Å; V1606-A1608 VanDerWaalsContact C-N 3.3Å; V1606-K1609 PolarHBondContact O-N 3.22Å; V1606-S1610 WeakPolarHBondContact O-CB 3.28Å; V1606-S1610 PolarHBondContact O-N 3.26Å; V1606-S1610 PolarHBondContact O-OG 3.47Å
1607	F	41.5	Very low	39.3	Very low	78 Å²	78	76.9 Å²	76.9	34%	0.342	41%	0.408	S	S	.	.	H	α-helix	trans	-73.8	-32.9	173.1	-167.2	-100.7	0	0	0	110.8	F1450 M1603 V1611	F1450-F1607 AromaticContact CD2-CD2 3.94Å; F1450-F1607 HydrophobicContact CD2-CD2 3.94Å; F1450-F1607 HydrophobicContact CD2-CE2 4.02Å; F1450-F1607 AromaticContact CE2-CD2 3.47Å; F1450-F1607 HydrophobicContact CE2-CD2 3.47Å; F1450-F1607 VanDerWaalsContact CE2-CD2 3.47Å; F1450-F1607 HydrophobicContact CE2-CE2 4.04Å; F1450-F1607 AromaticContact CZ-CD2 3.83Å; F1450-F1607 HydrophobicContact CZ-CD2 3.83Å; M1603-F1607 PolarHBondContact O-N 3.27Å; F1607-V1611 HydrophobicContact CD1-CG2 4.13Å; F1607-V1611 HydrophobicContact CE1-CG2 4Å; F1607-V1611 HydrophobicContact CZ-CG2 4.41Å; F1607-V1611 WeakPolarHBondContact O-CB 3.34Å; F1607-V1611 WeakPolarHBondContact O-CG2 3.37Å; F1607-V1611 PolarHBondContact O-N 3.07Å; F1607-V1611 VanDerWaalsContact O-N 3.11Å
1608	A	42.4	Very low	39.2	Very low	50 Å²	50	74.8 Å²	74.8	41%	0.413	40%	0.399	S	S	.	.	H	α-helix	trans	-75.8	-32.7	176.6	0	0	0	0	0	110.3	A1604 V1606 M1612	A1604-A1608 WeakPolarHBondContact O-CB 2.57Å; A1604-A1608 PolarHBondContact O-N 2.41Å; V1606-A1608 VanDerWaalsContact C-N 3.3Å; A1608-M1612 WeakPolarHBondContact O-CB 3.26Å; A1608-M1612 WeakPolarHBondContact O-CG 2.91Å; A1608-M1612 PolarHBondContact O-N 2.72Å
1609	K	45.4	Very low	39.2	Very low	165 Å²	165	70.1 Å²	70.1	72%	0.717	38%	0.38	S	S	*	.	H	α-helix	trans	-76.3	-32.3	177.8	-137.1	168.7	-177	179.2	0	110.6	P1605 V1606 M1612 C1613	P1605-K1609 WeakPolarHBondContact O-CB 3.4Å; P1605-K1609 PolarHBondContact O-N 3.32Å; V1606-K1609 PolarHBondContact O-N 3.22Å; K1609-M1612 PolarHBondContact O-N 3.42Å; K1609-C1613 WeakPolarHBondContact O-CB 3.4Å; K1609-C1613 PolarHBondContact O-N 3.49Å
1610	S	42.3	Very low	38.8	Very low	9 Å²	9	73 Å²	73	6%	0.063	39%	0.393	C	S	.	.	H	α-helix	trans	-76.9	-34.6	178.9	-55.5	0	0	0	0	111.3	V1606 L1614	V1606-S1610 WeakPolarHBondContact O-CB 3.28Å; V1606-S1610 PolarHBondContact O-N 3.26Å; V1606-S1610 PolarHBondContact O-OG 3.47Å; S1610-L1614 WeakPolarHBondContact O-CB 3.42Å; S1610-L1614 VanDerWaalsContact O-CD1 3.26Å; S1610-L1614 WeakPolarHBondContact O-CD1 3.26Å; S1610-L1614 PolarHBondContact O-N 2.73Å
1611	V	44.4	Very low	38.5	Very low	26 Å²	26	75 Å²	75	16%	0.158	41%	0.405	C	S	.	.	H	α-helix	trans	-75.4	0	174.7	171.2	0	0	0	0	109.5	F1607 C1615	F1607-V1611 HydrophobicContact CD1-CG2 4.13Å; F1607-V1611 HydrophobicContact CE1-CG2 4Å; F1607-V1611 HydrophobicContact CZ-CG2 4.41Å; F1607-V1611 WeakPolarHBondContact O-CB 3.34Å; F1607-V1611 WeakPolarHBondContact O-CG2 3.37Å; F1607-V1611 PolarHBondContact O-N 3.07Å; F1607-V1611 VanDerWaalsContact O-N 3.11Å; V1611-C1615 WeakPolarHBondContact O-CB 3.49Å; V1611-C1615 PolarHBondContact O-N 3.13Å; V1611-C1615 PolarHBondContact O-SG 2.81Å
1612	M	40.4	Very low	38.1	Very low	118 Å²	118	75.3 Å²	75.3	58%	0.581	41%	0.407	S	S	*	.	H	α-helix		0	-31.7	0	-73.1	-90.3	-71.2	0	0	109.9	A1608 K1609 K1616	A1608-M1612 WeakPolarHBondContact O-CB 3.26Å; A1608-M1612 WeakPolarHBondContact O-CG 2.91Å; A1608-M1612 PolarHBondContact O-N 2.72Å; K1609-M1612 PolarHBondContact O-N 3.42Å; M1612-K1616 VanDerWaalsContact O-CB 3.31Å; M1612-K1616 WeakPolarHBondContact O-CB 3.37Å; M1612-K1616 WeakPolarHBondContact O-CG 3.47Å; M1612-K1616 PolarHBondContact O-N 3.23Å
1613	C	41.5	Very low	37.3	Very low	56 Å²	56	76.8 Å²	76.8	38%	0.378	42%	0.42	S	S	.	.	H	α-helix	trans	-76.5	-31.9	177.1	-168.9	0	0	0	0	110.1	L1404 K1609 K1616 L1617	L1404-C1613 HydrophobicContact CD1-CB 4.38Å; K1609-C1613 WeakPolarHBondContact O-CB 3.4Å; K1609-C1613 PolarHBondContact O-N 3.49Å; C1613-K1616 PolarHBondContact O-N 3.06Å; C1613-L1617 WeakPolarHBondContact O-CD1 3.1Å; C1613-L1617 WeakPolarHBondContact O-CG 3.3Å; C1613-L1617 PolarHBondContact O-N 2.8Å; C1613-L1617 VanDerWaalsContact O-N 3.14Å
1614	L	39.8	Very low	36.6	Very low	22 Å²	22	79.5 Å²	79.5	12%	0.115	44%	0.44	C	S	.	.	H	α-helix	trans	-79.5	-26.1	176.3	-95.9	146.5	0	0	0	111	L1404 I1442 Q1446 S1610 T1618	L1404-L1614 HydrophobicContact CD2-CD1 4.14Å; I1442-L1614 HydrophobicContact CG2-CD1 4.4Å; I1442-L1614 HydrophobicContact CG2-CD2 3.35Å; Q1446-L1614 HydrophobicContact CG-CD1 4.49Å; Q1446-L1614 VanDerWaalsContact OE1-CD1 3.26Å; S1610-L1614 WeakPolarHBondContact O-CB 3.42Å; S1610-L1614 VanDerWaalsContact O-CD1 3.26Å; S1610-L1614 WeakPolarHBondContact O-CD1 3.26Å; S1610-L1614 PolarHBondContact O-N 2.73Å; L1614-T1618 VanDerWaalsContact O-CB 3.29Å; L1614-T1618 WeakPolarHBondContact O-CB 3.46Å; L1614-T1618 WeakPolarHBondContact O-CG2 3.15Å; L1614-T1618 PolarHBondContact O-N 2.78Å; L1614-T1618 VanDerWaalsContact O-N 3.17Å; L1614-T1618 PolarHBondContact O-OG1 2.76Å
1615	C	36.1	Very low	35.9	Very low	32 Å²	32	83.7 Å²	83.7	22%	0.216	45%	0.454	C	S	.	.	H	α-helix	trans	-81.3	0	175.5	-94.2	0	0	0	0	110	R864 V1611 T1618 H1619	R864-C1615 PolarHBondContact NH1-O 3.17Å; V1611-C1615 WeakPolarHBondContact O-CB 3.49Å; V1611-C1615 PolarHBondContact O-N 3.13Å; V1611-C1615 PolarHBondContact O-SG 2.81Å; C1615-T1618 WeakPolarHBondContact CA-OG1 3.38Å; C1615-T1618 PolarHBondContact O-OG1 3.36Å; C1615-H1619 WeakPolarHBondContact O-CB 3.26Å; C1615-H1619 PolarHBondContact O-CD2 1.5Å; C1615-H1619 PolarHBondContact O-N 3Å
1616	K	39	Very low	35.2	Very low	149 Å²	149	87.3 Å²	87.3	65%	0.648	47%	0.469	S	S	*	.	H	α-helix		0	0	0	-93.2	-179.2	-176.8	179.7	0	110.5	M1612 C1613	M1612-K1616 VanDerWaalsContact O-CB 3.31Å; M1612-K1616 WeakPolarHBondContact O-CB 3.37Å; M1612-K1616 WeakPolarHBondContact O-CG 3.47Å; M1612-K1616 PolarHBondContact O-N 3.23Å; C1613-K1616 PolarHBondContact O-N 3.06Å
1617	L	34.2	Very low	34.2	Very low	42 Å²	42	93.3 Å²	93.3	22%	0.22	50%	0.499	C	S	.	.	H	α-helix		0	0	0	-81.4	157.8	0	0	0	110.6	L1397 A1400 C1613	L1397-L1617 HydrophobicContact CD1-CB 4.42Å; A1400-L1617 HydrophobicContact CB-CD1 2.97Å; A1400-L1617 HydrophobicContact CB-CD2 3.92Å; A1400-L1617 HydrophobicContact CB-CG 4.06Å; C1613-L1617 WeakPolarHBondContact O-CD1 3.1Å; C1613-L1617 WeakPolarHBondContact O-CG 3.3Å; C1613-L1617 PolarHBondContact O-N 2.8Å; C1613-L1617 VanDerWaalsContact O-N 3.14Å
1618	T	32.3	Very low	33.4	Very low	67 Å²	67	97.1 Å²	97.1	41%	0.411	52%	0.522	S	S	.	.	H	α-helix		0	0	0	51	0	0	0	0	109.8	L1614 C1615	L1614-T1618 VanDerWaalsContact O-CB 3.29Å; L1614-T1618 WeakPolarHBondContact O-CB 3.46Å; L1614-T1618 WeakPolarHBondContact O-CG2 3.15Å; L1614-T1618 PolarHBondContact O-N 2.78Å; L1614-T1618 VanDerWaalsContact O-N 3.17Å; L1614-T1618 PolarHBondContact O-OG1 2.76Å; C1615-T1618 WeakPolarHBondContact CA-OG1 3.38Å; C1615-T1618 PolarHBondContact O-OG1 3.36Å
1619	H	35.2	Very low	32.5	Very low	68 Å²	68	103.6 Å²	103.6	32%	0.315	54%	0.541	S	S	.	.	S	Bend		0	0	0	-77	-71.6	0	0	0	109.7	R864 C1615	R864-H1619 WeakPolarHBondContact CB-CE1 3.3Å; R864-H1619 WeakPolarHBondContact CB-NE2 3.23Å; R864-H1619 WeakPolarHBondContact CD-CD2 3.5Å; R864-H1619 WeakPolarHBondContact CD-CE1 3.49Å; R864-H1619 WeakPolarHBondContact CD-ND1 2.69Å; R864-H1619 CovalentContact CD-NE2 1.06Å; R864-H1619 WeakPolarHBondContact CD-NE2 3.4Å; R864-H1619 WeakPolarHBondContact CG-CE1 2.99Å; R864-H1619 WeakPolarHBondContact CG-NE2 3.48Å; R864-H1619 PolarHBondContact NE-CD2 3.43Å; R864-H1619 PolarHBondContact NE-CE1 3.25Å; R864-H1619 VanDerWaalsContact NE-CG 3.27Å; R864-H1619 PolarHBondContact NE-ND1 3.15Å; R864-H1619 VanDerWaalsContact NE-ND1 3.11Å; R864-H1619 PolarHBondContact NE-NE2 2.97Å; R864-H1619 CovalentContact NH1-CD2 1.84Å; R864-H1619 PolarHBondContact NH1-CD2 3.14Å; R864-H1619 PolarHBondContact NH1-CE1 2.99Å; R864-H1619 CovalentContact NH1-CG 1.6Å; R864-H1619 PolarHBondContact NH1-ND1 3.48Å; R864-H1619 PolarHBondContact NH1-NE2 3.11Å; C1615-H1619 WeakPolarHBondContact O-CB 3.26Å; C1615-H1619 PolarHBondContact O-CD2 1.5Å; C1615-H1619 PolarHBondContact O-N 3Å
1620	Q	28.7	Very low	31.4	Very low	138 Å²	138	104 Å²	104	65%	0.645	55%	0.545	S	S	*	.				0	86.4	0	-104.7	174.1	5.8	0	0	110.4	L1622	Q1620-L1622 PolarHBondContact O-N 2.42Å
1621	D	26.6	Very low	30.5	Very low	160 Å²	160	108.5 Å²	108.5	86%	0.856	58%	0.577	S	S	*	*			trans	-22.6	0	149.5	-82.9	-27.1	0	0	0	111.6
1622	L	26	Very low	29.5	Very low	127 Å²	127	111.8 Å²	111.8	67%	0.665	60%	0.601	S	S	*	*				0	0	0	-89.2	123.5	0	0	0	110	Q1620	Q1620-L1622 PolarHBondContact O-N 2.42Å
1623	S	25.8	Very low	28.6	Very low	104 Å²	104	113.3 Å²	113.3	73%	0.727	61%	0.611	S	S	*	*				0	0	0	-175.8	0	0	0	0	110.5
1624	P	24.2	Very low	27.8	Very low	84 Å²	84	115.1 Å²	115.1	55%	0.545	63%	0.625	S	S	.	*	S	Bend		0	0	0	29.1	-1.1	0	0	0	111.9
1625	N	25.5	Very low	27	Very low	144 Å²	144	124.1 Å²	124.1	77%	0.77	66%	0.657	S	S	*	*				0	0	0	-82.4	-26.9	0	0	0	109.5
1626	N	26.8	Very low	26.3	Very low	153 Å²	153	131.1 Å²	131.1	82%	0.818	68%	0.684	S	S	*	*				0	0	0	-83.9	-23	0	0	0	110.3
1627	L	21.2	Very low	25.5	Very low	168 Å²	168	128.7 Å²	128.7	88%	0.88	69%	0.686	S	S	*	*				0	0	0	-80.9	166.6	0	0	0	111.4
1628	L	23.2	Very low	24.9	Very low	157 Å²	157	134.4 Å²	134.4	82%	0.822	72%	0.716	S	S	*	*				0	0	0	-83.6	163.3	0	0	0	109
1629	K	23.7	Very low	24.5	Very low	186 Å²	186	136.7 Å²	136.7	81%	0.809	73%	0.734	S	S	*	*				0	0	0	-109.4	178.8	-178.2	-179.6	0	109.6
1630	E	22.7	Very low	23.9	Very low	174 Å²	174	144.9 Å²	144.9	81%	0.813	76%	0.763	S	S	*	*				0	111.5	0	-87.5	-174.2	178	0	0	111.2
1631	S	22.3	Very low	23.7	Very low	104 Å²	104	143.6 Å²	143.6	73%	0.727	77%	0.766	S	S	*	*				107.4	114.8	110.4	70.5	0	0	0	0	110.1
1632	S	23.5	Very low	23.4	Very low	94 Å²	94	141 Å²	141	66%	0.657	76%	0.761	S	S	*	*				119.1	112.7	113.1	49.1	0	0	0	0	110
1633	N	23.5	Very low	23.1	Very low	150 Å²	150	141.9 Å²	141.9	80%	0.802	77%	0.765	S	S	*	*				114	110.4	114.2	-91.9	-9.5	0	0	0	110.5
1634	S	23	Very low	22.9	Very low	95 Å²	95	144.8 Å²	144.8	66%	0.664	77%	0.766	S	S	*	*				100.9	112.6	105.6	69.3	0	0	0	0	110.4
1635	R	23	Very low	22.7	Very low	211 Å²	211	147.9 Å²	147.9	80%	0.796	78%	0.777	S	S	*	*				108	0	106.4	-94.8	-171	-144.6	-160.5	-0.1	110
1636	K	22.7	Very low	22.5	Very low	178 Å²	178	148 Å²	148	77%	0.774	78%	0.778	S	S	*	*				0	0	0	-84.8	-175.6	-176.7	178.4	0	110.6
1637	S	21.8	Very low	22.2	Very low	98 Å²	98	145.3 Å²	145.3	69%	0.685	77%	0.77	S	S	*	*				0	114.2	0	62.8	0	0	0	0	110.5
1638	L	21.4	Very low	22.3	Very low	163 Å²	163	145.4 Å²	145.4	85%	0.853	77%	0.766	S	S	*	*				74	118.1	100.1	-102.5	122.9	0	0	0	110.5
1639	S	23.2	Very low	22.3	Very low	114 Å²	114	143.5 Å²	143.5	80%	0.797	76%	0.756	S	S	*	*				146.9	107.9	106.9	54.2	0	0	0	0	109.5
1640	R	22.6	Very low	22.3	Very low	241 Å²	241	140.5 Å²	140.5	91%	0.909	74%	0.744	S	S	*	*			trans	-0.1	0	137.1	-125.3	174.1	-178.2	-169	-0.9	111.9
1641	P	25.9	Very low	22.3	Very low	111 Å²	111	140.3 Å²	140.3	72%	0.721	74%	0.737	S	S	*	*				0	0	0	34.1	-5.7	0	0	0	112
1642	S	19.5	Very low	22.4	Very low	105 Å²	105	140.3 Å²	140.3	73%	0.734	73%	0.732	S	S	*	*				0	109.7	0	-67	0	0	0	0	110.3
1643	I	20.5	Very low	22.4	Very low	146 Å²	146	145.8 Å²	145.8	75%	0.749	74%	0.744	S	S	*	*				84.8	114.8	127.1	-63	168.1	0	0	0	108.8
1644	Q	20.7	Very low	22.4	Very low	164 Å²	164	143.5 Å²	143.5	77%	0.766	75%	0.746	S	S	*	*				121.2	109.9	122	-116.1	-178.6	-12.1	0	0	109.7
1645	I	21.2	Very low	22.5	Very low	150 Å²	150	142.1 Å²	142.1	77%	0.769	75%	0.747	S	S	*	*			trans	135.1	0	131.8	-59.6	172.8	0	0	0	108
1646	D	20.2	Very low	22.5	Very low	147 Å²	147	139.2 Å²	139.2	79%	0.786	75%	0.747	S	S	*	*				0	0	0	-112.1	-6.2	0	0	0	110.8
1647	S	21.2	Very low	22.6	Very low	95 Å²	95	137.5 Å²	137.5	66%	0.664	75%	0.745	S	S	*	*				0	0	0	31.1	0	0	0	0	109.9
1648	Q	22.2	Very low	22.6	Very low	170 Å²	170	141.7 Å²	141.7	79%	0.794	75%	0.754	S	S	*	*				0	119.8	0	-96.5	-174.8	16.7	0	0	110.3
1649	I	23.1	Very low	22.8	Very low	117 Å²	117	139.8 Å²	139.8	60%	0.6	75%	0.753	S	S	*	*				86.5	0	105.9	-62.5	172.9	0	0	0	108.7
1650	H	23.8	Very low	23.2	Very low	123 Å²	123	139.6 Å²	139.6	57%	0.569	75%	0.749	S	S	*	*				0	132.8	0	-130.1	-80.8	0	0	0	109.8
1651	W	22.6	Very low	23.3	Very low	171 Å²	171	134 Å²	134	65%	0.648	74%	0.741	S	S	*	*				109.8	0	85.3	-69.9	86.7	0	0	0	109.6
1652	T	24	Very low	23.2	Very low	103 Å²	103	133.9 Å²	133.9	63%	0.632	74%	0.743	S	S	*	*				0	0	0	39.9	0	0	0	0	109.5
1653	K	23.3	Very low	23.4	Very low	209 Å²	209	132.2 Å²	132.2	91%	0.909	74%	0.742	S	S	*	*				0	0	0	-119.7	177.9	-177.8	178.9	0	110.2
1654	A	24.2	Very low	23.6	Very low	102 Å²	102	130.2 Å²	130.2	84%	0.843	74%	0.741	S	S	*	*				0	0	0	0	0	0	0	0	109
1655	G	24.5	Very low	23.8	Very low	67 Å²	67	127.9 Å²	127.9	69%	0.691	74%	0.738	S	S	*	*				0	0	0	0	0	0	0	0	110.4
1656	D	24.4	Very low	24	Very low	149 Å²	149	128.5 Å²	128.5	80%	0.797	74%	0.738	S	S	*	*				0	0	0	-81.9	-20.4	0	0	0	109.8
1657	I	24.2	Very low	24.1	Very low	143 Å²	143	129.6 Å²	129.6	73%	0.733	74%	0.738	S	S	*	*				0	0	0	-66.2	171.3	0	0	0	108.2
1658	E	23	Very low	24.3	Very low	186 Å²	186	130.5 Å²	130.5	87%	0.869	74%	0.74	S	S	*	*				0	0	0	-92.4	-176.9	178.7	0	0	110.1
1659	C	25.3	Very low	24.5	Very low	123 Å²	123	130 Å²	130	83%	0.831	74%	0.737	S	S	*	*				0	0	0	-77.3	0	0	0	0	111.6
1660	P	30.1	Very low	24.7	Very low	110 Å²	110	130 Å²	130	71%	0.714	74%	0.739	S	S	*	*				0	0	0	33.2	-4.2	0	0	0	112.2
1661	V	24.6	Very low	24.8	Very low	122 Å²	122	130 Å²	130	74%	0.739	74%	0.739	S	S	*	*				0	0	0	-177.5	0	0	0	0	108.5
1662	S	24.1	Very low	24.9	Very low	110 Å²	110	128.2 Å²	128.2	77%	0.769	74%	0.738	S	S	*	*				0	0	0	48.4	0	0	0	0	109.7
1663	G	25.3	Very low	25	Very low	69 Å²	69	127.6 Å²	127.6	71%	0.711	73%	0.734	S	S	*	*				0	113.3	0	0	0	0	0	0	110.2
1664	S	23.8	Very low	25.1	Very low	105 Å²	105	126.5 Å²	126.5	73%	0.734	72%	0.724	S	S	*	*				93.8	127.3	99.9	59.9	0	0	0	0	110.2
1665	T	23.9	Very low	25.2	Very low	114 Å²	114	126.5 Å²	126.5	70%	0.699	71%	0.713	S	S	*	*				99.2	0	98.7	39.6	0	0	0	0	109.3
1666	E	26.1	Very low	25.2	Very low	164 Å²	164	129.6 Å²	129.6	77%	0.766	71%	0.713	S	S	*	*				0	0	0	-85.9	-165.5	173.9	0	0	109.4
1667	E	23.3	Very low	25.2	Very low	169 Å²	169	125.7 Å²	125.7	79%	0.79	70%	0.702	S	S	*	*				0	0	0	-77.7	-165.7	171.9	0	0	110.5
1668	V	25.6	Very low	25.3	Very low	114 Å²	114	124.9 Å²	124.9	69%	0.691	70%	0.699	S	S	*	*				0	0	0	177.3	0	0	0	0	107.8
1669	E	24.5	Very low	25.4	Very low	159 Å²	159	119.8 Å²	119.8	74%	0.743	68%	0.684	S	S	*	*				0	0	0	-75.6	-161.2	165.5	0	0	110.6
1670	D	27.7	Very low	25.3	Very low	118 Å²	118	119.5 Å²	119.5	63%	0.631	67%	0.673	S	S	*	*				0	0	0	-87.1	-21.3	0	0	0	110
1671	E	26.8	Very low	25.1	Very low	124 Å²	124	120 Å²	120	58%	0.579	67%	0.668	S	S	*	*				0	103.5	0	-162.4	64.5	-152	0	0	109.6
1672	E	24.8	Very low	25	Very low	133 Å²	133	120.5 Å²	120.5	62%	0.621	67%	0.667	S	S	*	*				117.6	96.2	119.1	-99.2	-178.5	174	0	0	110
1673	V	26.5	Very low	25	Very low	90 Å²	90	122.2 Å²	122.2	55%	0.545	67%	0.667	S	S	.	*				124.9	0	110.7	176.9	0	0	0	0	108.5
1674	R	24.8	Very low	24.8	Very low	185 Å²	185	123.2 Å²	123.2	70%	0.698	66%	0.663	S	S	*	*				0	87.7	0	-102.5	-176.4	140.7	101.2	-0.1	110.3
1675	T	26.5	Very low	24.7	Very low	102 Å²	102	123.2 Å²	123.2	63%	0.626	66%	0.661	S	S	*	*				128.3	85.1	127.1	28.3	0	0	0	0	109.1
1676	L	23.6	Very low	24.6	Very low	132 Å²	132	121.4 Å²	121.4	69%	0.691	65%	0.653	S	S	*	*				129.8	0	110.4	-111.2	149	0	0	0	109.4
1677	A	24.8	Very low	24.6	Very low	67 Å²	67	121.4 Å²	121.4	55%	0.554	65%	0.654	S	S	*	*				0	96.7	0	0	0	0	0	0	110.7
1678	N	25.5	Very low	24.6	Very low	126 Å²	126	118.4 Å²	118.4	67%	0.674	65%	0.647	S	S	*	*				144.2	83.6	126.5	-82.9	-24.5	0	0	0	109.7
1679	S	25.8	Very low	24.5	Very low	79 Å²	79	119.2 Å²	119.2	55%	0.552	65%	0.652	S	S	*	*				121.6	0	114.3	-79.1	0	0	0	0	110.1
1680	I	23.9	Very low	24.6	Very low	118 Å²	118	118.2 Å²	118.2	61%	0.605	65%	0.652	S	S	*	*				0	100.8	0	-67.5	176	0	0	0	109.3
1681	I	25.4	Very low	24.4	Very low	120 Å²	120	116.8 Å²	116.8	62%	0.615	65%	0.647	S	S	*	*				126.6	98.1	117.7	-67.5	172.6	0	0	0	108.6
1682	D	22.1	Very low	24.3	Very low	132 Å²	132	116.4 Å²	116.4	71%	0.706	65%	0.649	S	S	*	*				87.8	95	107.8	-100.2	-9	0	0	0	110.5
1683	L	23.7	Very low	24.2	Very low	147 Å²	147	118.7 Å²	118.7	77%	0.77	65%	0.652	S	S	*	*				148.4	0	120.8	-88	145.6	0	0	0	109.2
1684	S	21.8	Very low	24.1	Very low	89 Å²	89	122.3 Å²	122.3	62%	0.622	67%	0.667	S	S	*	*				0	0	0	44.9	0	0	0	0	110.9
1685	C	21.1	Very low	24	Very low	105 Å²	105	120.4 Å²	120.4	71%	0.709	67%	0.671	S	S	*	*				0	104.5	0	-154.4	0	0	0	0	110.4
1686	S	23.1	Very low	23.9	Very low	76 Å²	76	121.1 Å²	121.1	53%	0.531	68%	0.675	S	S	.	*				99.6	109.6	107.1	32.3	0	0	0	0	110
1687	Q	24.7	Very low	23.9	Very low	165 Å²	165	122.5 Å²	122.5	77%	0.771	68%	0.683	S	S	*	*				123	116.6	107.5	-84.4	-175.1	18.4	0	0	109.6
1688	T	23.4	Very low	23.8	Very low	106 Å²	106	124.5 Å²	124.5	65%	0.65	69%	0.693	S	S	*	*				137.7	114.7	97.9	47.5	0	0	0	0	109
1689	T	24.8	Very low	23.8	Very low	131 Å²	131	124.2 Å²	124.2	80%	0.804	70%	0.695	S	S	*	*				151.8	0	99	39.9	0	0	0	0	108.9
1690	D	24.8	Very low	23.7	Very low	138 Å²	138	127.7 Å²	127.7	74%	0.738	70%	0.703	S	S	*	*				0	120	0	-89.7	-14.6	0	0	0	111.4
1691	T	25.2	Very low	23.7	Very low	87 Å²	87	129.8 Å²	129.8	53%	0.534	71%	0.71	S	S	.	*				86.7	124.6	90	38.4	0	0	0	0	110.1
1692	L	23	Very low	23.7	Very low	116 Å²	116	128.2 Å²	128.2	61%	0.607	71%	0.71	S	S	*	*				115.7	114.7	91.7	-80.7	168.5	0	0	0	109.6
1693	R	24.8	Very low	23.9	Very low	182 Å²	182	129.3 Å²	129.3	69%	0.687	72%	0.716	S	S	*	*				56.3	102.3	104.8	-89.5	-170.9	158.5	125	-0.2	110.8	I697	I697-R1693 VanDerWaalsContact CG2-NH2 3.27Å
1694	L	23.9	Very low	24	Very low	165 Å²	165	125.7 Å²	125.7	86%	0.864	71%	0.707	S	S	*	*			trans	-113.9	98.3	160.7	-118.5	97.3	0	0	0	109.8
1695	D	21.8	Very low	24.2	Very low	145 Å²	145	127.7 Å²	127.7	78%	0.775	71%	0.709	S	S	*	*				-145.7	0	109.5	-80.6	-17.3	0	0	0	109.4
1696	T	23.9	Very low	24.4	Very low	117 Å²	117	130.3 Å²	130.3	72%	0.718	71%	0.711	S	S	*	*				0	118	0	29.3	0	0	0	0	109.5
1697	L	23.6	Very low	24.6	Very low	162 Å²	162	131.2 Å²	131.2	85%	0.848	72%	0.717	S	S	*	*				111.2	0	107.4	-82.6	157.9	0	0	0	109.5
1698	S	23.4	Very low	24.8	Very low	109 Å²	109	126.2 Å²	126.2	76%	0.762	71%	0.71	S	S	*	*				0	0	0	-71.3	0	0	0	0	109.2
1699	T	24.8	Very low	24.9	Very low	119 Å²	119	130.5 Å²	130.5	73%	0.73	72%	0.72	S	S	*	*				0	108.4	0	4	0	0	0	0	109.7
1700	E	24.7	Very low	24.9	Very low	152 Å²	152	129.4 Å²	129.4	71%	0.71	71%	0.709	S	S	*	*				111.4	0	109.1	-78.9	-163.9	171.5	0	0	109.9
1701	Q	24.9	Very low	25	Very low	162 Å²	162	131.5 Å²	131.5	76%	0.757	72%	0.719	S	S	*	*				0	0	0	-89.2	-175.8	-8.2	0	0	109.6
1702	S	24.7	Very low	25.1	Very low	87 Å²	87	131.1 Å²	131.1	61%	0.608	72%	0.72	S	S	*	*				0	107.4	0	32.7	0	0	0	0	109.7
1703	D	25	Very low	25.4	Very low	156 Å²	156	130 Å²	130	83%	0.834	73%	0.727	S	S	*	*				114.8	105.5	108.9	-82.5	-16.5	0	0	0	109.6
1704	A	26.4	Very low	25.3	Very low	71 Å²	71	128 Å²	128	59%	0.587	73%	0.73	S	S	*	*				103.5	0	99	0	0	0	0	0	109.8
1705	I	25.5	Very low	25.4	Very low	130 Å²	130	127.2 Å²	127.2	67%	0.667	73%	0.727	S	S	*	*				0	106	0	-63.3	175.7	0	0	0	108.5
1706	H	27.1	Very low	25.6	Very low	160 Å²	160	125 Å²	125	74%	0.741	72%	0.723	S	S	*	*				133	103.6	104	-103.6	-72.2	0	0	0	109.5
1707	S	27.1	Very low	25.6	Very low	96 Å²	96	127.1 Å²	127.1	67%	0.671	73%	0.73	S	S	*	*				102	108.3	90.2	61.5	0	0	0	0	109.9
1708	G	27.9	Very low	25.8	Very low	59 Å²	59	127.5 Å²	127.5	61%	0.608	73%	0.727	S	S	*	*				115.1	101.1	94.8	0	0	0	0	0	110.5
1709	F	25.8	Very low	26	Very low	197 Å²	197	128.5 Å²	128.5	86%	0.864	72%	0.724	S	S	*	*				154	107.2	97.2	-101.2	-85.8	0	0	0	109
1710	D	25.3	Very low	26.1	Very low	107 Å²	107	130.7 Å²	130.7	57%	0.572	73%	0.731	S	S	*	*				66.8	112.2	66.6	-122.2	-7.1	0	0	0	110.8
1711	L	27.4	Very low	26.2	Very low	182 Å²	182	130.1 Å²	130.1	95%	0.953	73%	0.732	S	S	*	*				-141.1	94.8	125.3	-73.9	169	0	0	0	109.4
1712	S	25.6	Very low	26.5	Very low	80 Å²	80	124.5 Å²	124.5	56%	0.559	71%	0.711	S	S	*	*				-16.3	113.2	115.2	63.6	0	0	0	0	111.6
1713	A	29.1	Very low	26.7	Very low	91 Å²	91	124.7 Å²	124.7	75%	0.752	71%	0.708	S	S	*	*			trans	-177.1	97.4	148.6	0	0	0	0	0	109.1
1714	D	24.3	Very low	26.9	Very low	141 Å²	141	120.1 Å²	120.1	75%	0.754	69%	0.692	S	S	*	*				72.6	95.1	91	-85.6	-16.5	0	0	0	110.8
1715	N	25.6	Very low	27.1	Very low	148 Å²	148	119.2 Å²	119.2	79%	0.791	69%	0.685	S	S	*	*				164.8	94.7	128.6	-85.3	-19.8	0	0	0	109.8
1716	S	24.8	Very low	27.5	Very low	99 Å²	99	118.3 Å²	118.3	69%	0.692	68%	0.678	S	S	*	*				108.8	95.6	118.7	61	0	0	0	0	110.2	Q1718	S1716-Q1718 PolarHBondContact O-N 2.85Å
1717	D	25.7	Very low	27.6	Very low	162 Å²	162	116.3 Å²	116.3	87%	0.866	67%	0.672	S	S	*	*				45.6	75.8	119.4	-89.2	-15.6	0	0	0	111.3
1718	Q	26.9	Very low	27.8	Very low	170 Å²	170	115.7 Å²	115.7	79%	0.794	66%	0.664	S	S	*	*			trans	-151.7	82.4	151.5	-95.3	-178.3	1.2	0	0	109.3	S1716	S1716-Q1718 PolarHBondContact O-N 2.85Å
1719	D	27.9	Very low	28.2	Very low	129 Å²	129	115.4 Å²	115.4	69%	0.69	65%	0.652	S	S	*	*				57.1	82.5	126.7	-91.8	-14.2	0	0	0	110.8	D1721 S1722	D1719-D1721 CarbonylContact O-C 3.46Å; D1719-D1721 PolarHBondContact O-N 3.4Å; D1719-S1722 WeakPolarHBondContact O-CA 3.37Å; D1719-S1722 WeakPolarHBondContact O-CB 3.33Å; D1719-S1722 PolarHBondContact O-N 3.15Å; D1719-S1722 PolarHBondContact O-OG 2.18Å; D1719-S1722 VanDerWaalsContact O-OG 3.12Å
1720	L	26.8	Very low	28.6	Very low	166 Å²	166	109.7 Å²	109.7	87%	0.869	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-37.7	0	162.3	-92.3	142.9	0	0	0	111.2
1721	D	27.5	Very low	29	Very low	139 Å²	139	109.3 Å²	109.3	74%	0.743	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn		0	0	0	-83.8	-17.9	0	0	0	110.7	D1719 A1725	D1719-D1721 CarbonylContact O-C 3.46Å; D1719-D1721 PolarHBondContact O-N 3.4Å; D1721-A1725 WeakPolarHBondContact O-CB 3.41Å
1722	S	30.5	Very low	29.3	Very low	45 Å²	45	105.1 Å²	105.1	32%	0.315	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn		0	0	0	99.8	0	0	0	0	109.3	D1719 Q1726	D1719-S1722 WeakPolarHBondContact O-CA 3.37Å; D1719-S1722 WeakPolarHBondContact O-CB 3.33Å; D1719-S1722 PolarHBondContact O-N 3.15Å; D1719-S1722 PolarHBondContact O-OG 2.18Å; D1719-S1722 VanDerWaalsContact O-OG 3.12Å; S1722-Q1726 WeakPolarHBondContact O-CB 3.5Å; S1722-Q1726 PolarHBondContact O-N 3.08Å
1723	V	29.4	Very low	29.8	Very low	90 Å²	90	105.8 Å²	105.8	55%	0.545	61%	0.605	S	S	.	*	H	α-helix		0	-15.9	0	175.6	0	0	0	0	109.2	L1727	V1723-L1727 WeakPolarHBondContact O-CB 3.44Å; V1723-L1727 PolarHBondContact O-N 3.49Å
1724	A	27.8	Very low	30	Very low	60 Å²	60	106.9 Å²	106.9	50%	0.496	60%	0.598	S	S	.	*	H	α-helix	trans	-97.9	0	165.4	0	0	0	0	0	110.6	V1728	A1724-V1728 WeakPolarHBondContact O-CB 3.43Å; A1724-V1728 WeakPolarHBondContact O-CG2 3.5Å; A1724-V1728 PolarHBondContact O-N 3.43Å
1725	A	31.6	Very low	30.3	Very low	53 Å²	53	102 Å²	102	44%	0.438	58%	0.577	S	S	.	*	H	α-helix		0	0	0	0	0	0	0	0	110	D1721 S1729	D1721-A1725 WeakPolarHBondContact O-CB 3.41Å; A1725-S1729 WeakPolarHBondContact O-CA 3.21Å; A1725-S1729 WeakPolarHBondContact O-CB 3.41Å; A1725-S1729 PolarHBondContact O-N 3.47Å
1726	Q	32.6	Very low	30.6	Very low	111 Å²	111	101.2 Å²	101.2	52%	0.519	57%	0.566	S	S	.	*	H	α-helix		0	0	0	-164.3	67.8	28	0	0	110.4	S1722 D1730	S1722-Q1726 WeakPolarHBondContact O-CB 3.5Å; S1722-Q1726 PolarHBondContact O-N 3.08Å; Q1726-D1730 WeakPolarHBondContact O-CA 3.48Å; Q1726-D1730 WeakPolarHBondContact O-CB 3.35Å; Q1726-D1730 PolarHBondContact O-N 3.11Å
1727	L	30	Very low	31	Very low	117 Å²	117	100.1 Å²	100.1	61%	0.613	55%	0.553	S	S	*	*	H	α-helix		0	0	0	-135.7	106	0	0	0	110.7	V1723 V1731	V1723-L1727 WeakPolarHBondContact O-CB 3.44Å; V1723-L1727 PolarHBondContact O-N 3.49Å; L1727-V1731 WeakPolarHBondContact O-CB 3.21Å; L1727-V1731 WeakPolarHBondContact O-CG2 3.45Å; L1727-V1731 PolarHBondContact O-N 3.31Å; L1727-V1731 VanDerWaalsContact O-N 3.14Å
1728	V	31.9	Very low	31.2	Very low	84 Å²	84	100.2 Å²	100.2	51%	0.509	54%	0.542	S	S	.	.	H	α-helix		0	0	0	172.1	0	0	0	0	108.8	A1724 L1732	A1724-V1728 WeakPolarHBondContact O-CB 3.43Å; A1724-V1728 WeakPolarHBondContact O-CG2 3.5Å; A1724-V1728 PolarHBondContact O-N 3.43Å; V1728-L1732 HydrophobicContact CG1-CD1 3.48Å; V1728-L1732 VanDerWaalsContact CG1-CD1 3.48Å; V1728-L1732 WeakPolarHBondContact O-CB 2.76Å; V1728-L1732 WeakPolarHBondContact O-CD1 2.75Å; V1728-L1732 WeakPolarHBondContact O-CG 3.3Å; V1728-L1732 PolarHBondContact O-N 3.43Å
1729	S	36.7	Very low	31.3	Very low	52 Å²	52	98.6 Å²	98.6	36%	0.364	53%	0.533	S	S	.	.	H	α-helix		0	0	0	-148	0	0	0	0	110.1	A1725 E1733	A1725-S1729 WeakPolarHBondContact O-CA 3.21Å; A1725-S1729 WeakPolarHBondContact O-CB 3.41Å; A1725-S1729 PolarHBondContact O-N 3.47Å; S1729-E1733 WeakPolarHBondContact O-CA 3.39Å; S1729-E1733 WeakPolarHBondContact O-CB 2.78Å; S1729-E1733 PolarHBondContact O-N 2.9Å
1730	D	34.2	Very low	31.4	Very low	78 Å²	78	95.6 Å²	95.6	42%	0.417	52%	0.522	S	S	.	.	H	α-helix		0	0	0	-84.6	-7.8	0	0	0	110.4	Q1726 N1734	Q1726-D1730 WeakPolarHBondContact O-CA 3.48Å; Q1726-D1730 WeakPolarHBondContact O-CB 3.35Å; Q1726-D1730 PolarHBondContact O-N 3.11Å; D1730-N1734 WeakPolarHBondContact O-CB 3.34Å; D1730-N1734 PolarHBondContact O-N 3.02Å; D1730-N1734 PolarHBondContact O-ND2 3.32Å
1731	V	32.3	Very low	31.4	Very low	98 Å²	98	93.6 Å²	93.6	59%	0.594	51%	0.512	S	S	*	.	H	α-helix		0	0	0	171.2	0	0	0	0	109.4	L1727 A1735	L1727-V1731 WeakPolarHBondContact O-CB 3.21Å; L1727-V1731 WeakPolarHBondContact O-CG2 3.45Å; L1727-V1731 PolarHBondContact O-N 3.31Å; L1727-V1731 VanDerWaalsContact O-N 3.14Å; V1731-A1735 WeakPolarHBondContact O-CB 3.42Å; V1731-A1735 PolarHBondContact O-N 2.95Å; V1731-A1735 VanDerWaalsContact O-N 3.15Å
1732	L	33.7	Very low	31.5	Very low	94 Å²	94	94.9 Å²	94.9	49%	0.492	51%	0.513	S	S	.	.	H	α-helix		0	0	0	-102.8	146.1	0	0	0	109.9	V1728 K1736	V1728-L1732 HydrophobicContact CG1-CD1 3.48Å; V1728-L1732 VanDerWaalsContact CG1-CD1 3.48Å; V1728-L1732 WeakPolarHBondContact O-CB 2.76Å; V1728-L1732 WeakPolarHBondContact O-CD1 2.75Å; V1728-L1732 WeakPolarHBondContact O-CG 3.3Å; V1728-L1732 PolarHBondContact O-N 3.43Å; L1732-K1736 WeakPolarHBondContact O-CA 2.06Å; L1732-K1736 WeakPolarHBondContact O-CB 2.73Å; L1732-K1736 WeakPolarHBondContact O-CG 1.47Å; L1732-K1736 PolarHBondContact O-N 3.01Å
1733	E	35.8	Very low	31.2	Very low	95 Å²	95	98.5 Å²	98.5	44%	0.444	53%	0.528	S	S	.	.	H	α-helix		0	0	0	-162.3	96.7	-158.1	0	0	109.9	S1729 N1737	S1729-E1733 WeakPolarHBondContact O-CA 3.39Å; S1729-E1733 WeakPolarHBondContact O-CB 2.78Å; S1729-E1733 PolarHBondContact O-N 2.9Å; E1733-N1737 WeakPolarHBondContact O-CB 3.47Å; E1733-N1737 VanDerWaalsContact O-CG 3.23Å; E1733-N1737 PolarHBondContact O-N 3.27Å; E1733-N1737 PolarHBondContact O-ND2 3.06Å
1734	N	33.1	Very low	30.9	Very low	114 Å²	114	99.3 Å²	99.3	61%	0.61	53%	0.533	S	S	*	.	H	α-helix		0	0	0	-88.7	-7.5	0	0	0	111.2	D1730 Y1738	D1730-N1734 WeakPolarHBondContact O-CB 3.34Å; D1730-N1734 PolarHBondContact O-N 3.02Å; D1730-N1734 PolarHBondContact O-ND2 3.32Å; N1734-Y1738 WeakPolarHBondContact O-CB 3.47Å; N1734-Y1738 PolarHBondContact O-N 3Å
1735	A	31.6	Very low	30.8	Very low	37 Å²	37	104.9 Å²	104.9	31%	0.306	55%	0.546	S	S	.	.	H	α-helix		0	0	0	0	0	0	0	0	110.3	V1731 F1739	V1731-A1735 WeakPolarHBondContact O-CB 3.42Å; V1731-A1735 PolarHBondContact O-N 2.95Å; V1731-A1735 VanDerWaalsContact O-N 3.15Å; A1735-F1739 WeakPolarHBondContact O-CB 3.47Å; A1735-F1739 WeakPolarHBondContact O-CD2 2.93Å; A1735-F1739 VanDerWaalsContact O-CG 3.27Å; A1735-F1739 WeakPolarHBondContact O-CG 3.46Å; A1735-F1739 PolarHBondContact O-N 3.26Å
1736	K	32.7	Very low	30.4	Very low	132 Å²	132	107.9 Å²	107.9	57%	0.574	56%	0.564	S	S	*	*	H	α-helix		0	0	0	-94.7	-177.9	-178.3	-179.7	0	110.3	L1732 S1740	L1732-K1736 WeakPolarHBondContact O-CA 2.06Å; L1732-K1736 WeakPolarHBondContact O-CB 2.73Å; L1732-K1736 WeakPolarHBondContact O-CG 1.47Å; L1732-K1736 PolarHBondContact O-N 3.01Å; K1736-S1740 WeakPolarHBondContact O-CA 3.4Å; K1736-S1740 WeakPolarHBondContact O-CB 2.96Å; K1736-S1740 PolarHBondContact O-N 2.8Å; K1736-S1740 PolarHBondContact O-OG 2.76Å
1737	N	32.4	Very low	30	Very low	77 Å²	77	109.8 Å²	109.8	41%	0.412	58%	0.578	S	S	.	*	H	α-helix		0	0	0	-87.6	-12.9	0	0	0	110.6	E1733 N1741	E1733-N1737 WeakPolarHBondContact O-CB 3.47Å; E1733-N1737 VanDerWaalsContact O-CG 3.23Å; E1733-N1737 PolarHBondContact O-N 3.27Å; E1733-N1737 PolarHBondContact O-ND2 3.06Å; N1737-N1741 WeakPolarHBondContact O-CB 2.82Å; N1737-N1741 PolarHBondContact O-N 2.63Å; N1737-N1741 PolarHBondContact O-ND2 2.63Å
1738	Y	30.9	Very low	29.8	Very low	164 Å²	164	111.6 Å²	111.6	64%	0.643	59%	0.588	S	S	*	*	H	α-helix		0	0	0	-174.5	-96.9	0	0	0	110.6	N1734	N1734-Y1738 WeakPolarHBondContact O-CB 3.47Å; N1734-Y1738 PolarHBondContact O-N 3Å
1739	F	29.1	Very low	29.5	Very low	136 Å²	136	112.2 Å²	112.2	60%	0.596	60%	0.602	S	S	*	*	H	α-helix		0	0	0	-86	-75.3	0	0	0	109.8	A1735 I1743	A1735-F1739 WeakPolarHBondContact O-CB 3.47Å; A1735-F1739 WeakPolarHBondContact O-CD2 2.93Å; A1735-F1739 VanDerWaalsContact O-CG 3.27Å; A1735-F1739 WeakPolarHBondContact O-CG 3.46Å; A1735-F1739 PolarHBondContact O-N 3.26Å; F1739-I1743 WeakPolarHBondContact O-CB 3.06Å; F1739-I1743 WeakPolarHBondContact O-CD1 2.71Å; F1739-I1743 WeakPolarHBondContact O-CG1 3.2Å
1740	S	29.1	Very low	28.9	Very low	66 Å²	66	117.2 Å²	117.2	46%	0.462	62%	0.619	S	S	.	*	H	α-helix		0	0	0	-145.4	0	0	0	0	109.8	K1736	K1736-S1740 WeakPolarHBondContact O-CA 3.4Å; K1736-S1740 WeakPolarHBondContact O-CB 2.96Å; K1736-S1740 PolarHBondContact O-N 2.8Å; K1736-S1740 PolarHBondContact O-OG 2.76Å
1741	N	27	Very low	28.4	Very low	123 Å²	123	119 Å²	119	66%	0.658	63%	0.625	S	S	*	*	S	Bend		0	0	0	-79.8	-19.8	0	0	0	110.4	N1737	N1737-N1741 WeakPolarHBondContact O-CB 2.82Å; N1737-N1741 PolarHBondContact O-N 2.63Å; N1737-N1741 PolarHBondContact O-ND2 2.63Å
1742	H	28.3	Very low	28.1	Very low	166 Å²	166	119.6 Å²	119.6	77%	0.769	62%	0.62	S	S	*	*	S	Bend		0	29.6	0	-106.6	-78.1	0	0	0	109.8
1743	I	24.5	Very low	27.7	Very low	121 Å²	121	117.2 Å²	117.2	62%	0.621	61%	0.61	S	S	*	*	S	Bend	trans	-143.1	0	169.1	-68.6	176	0	0	0	107.9	F1739	F1739-I1743 WeakPolarHBondContact O-CB 3.06Å; F1739-I1743 WeakPolarHBondContact O-CD1 2.71Å; F1739-I1743 WeakPolarHBondContact O-CG1 3.2Å
1744	T	23.8	Very low	27.2	Very low	108 Å²	108	115 Å²	115	66%	0.663	60%	0.603	S	S	*	*				0	55	0	43	0	0	0	0	108.9
1745	K	25	Very low	26.8	Very low	176 Å²	176	115.8 Å²	115.8	77%	0.765	61%	0.606	S	S	*	*	S	Bend	trans	-145.6	68.4	147.7	-89.4	-175.6	-177.5	178.9	0	109.3
1746	S	24.8	Very low	26.4	Very low	116 Å²	116	119 Å²	119	81%	0.811	62%	0.622	S	S	*	*				179.5	64.4	129.8	80.9	0	0	0	0	109.3
1747	N	23.2	Very low	26	Very low	152 Å²	152	118.8 Å²	118.8	81%	0.813	63%	0.626	S	S	*	*				-27.3	88.3	124.3	-87.7	-10.4	0	0	0	112.1
1748	D	25.3	Very low	25.6	Very low	154 Å²	154	125.1 Å²	125.1	82%	0.824	64%	0.644	S	S	*	*			trans	144.9	0	133.8	-92.1	-16	0	0	0	109.4
1749	A	26.7	Very low	25.4	Very low	97 Å²	97	123.2 Å²	123.2	80%	0.802	65%	0.645	S	S	*	*				0	0	0	0	0	0	0	0	109.3
1750	E	23.4	Very low	25.2	Very low	157 Å²	157	122.1 Å²	122.1	73%	0.734	66%	0.655	S	S	*	*				0	0	0	-94.4	-175.8	175.3	0	0	111.5
1751	Q	24.8	Very low	25.2	Very low	115 Å²	115	122.4 Å²	122.4	54%	0.537	67%	0.667	S	S	.	*				0	0	0	-115.7	132.2	19	0	0	110.1	E735	E735-Q1751 CarbonylContact O-C 3.08Å
1752	K	25.7	Very low	25.2	Very low	111 Å²	111	122.8 Å²	122.8	48%	0.483	68%	0.678	S	S	.	*				0	0	0	-100.9	178.5	-177.4	-177.7	0	110.1	I733 Q734 E735 T736	I733-K1752 VanDerWaalsContact C-CA 3.44Å; I733-K1752 HydrophobicContact CB-CB 4.19Å; I733-K1752 HydrophobicContact CB-CG 3.48Å; I733-K1752 VanDerWaalsContact CB-CG 3.48Å; I733-K1752 HydrophobicContact CD1-CG 4.28Å; I733-K1752 HydrophobicContact CG2-CB 3.13Å; I733-K1752 HydrophobicContact CG2-CD 4.12Å; I733-K1752 HydrophobicContact CG2-CG 2.9Å; I733-K1752 WeakPolarHBondContact O-CA 3.21Å; I733-K1752 PolarHBondContact O-N 2.71Å; Q734-K1752 CarbonylContact C-O 3.53Å; Q734-K1752 VanDerWaalsContact CA-C 3.43Å; Q734-K1752 CarbonylContact O-C 3.4Å; Q734-K1752 CovalentContact O-C 1.2Å; Q734-K1752 WeakPolarHBondContact O-CA 3.26Å; Q734-K1752 WeakPolarHBondContact O-CB 3.27Å; Q734-K1752 PolarHBondContact O-N 3.11Å; E735-K1752 CarbonylContact C-O 3.58Å; E735-K1752 WeakPolarHBondContact CA-O 2.98Å; E735-K1752 WeakPolarHBondContact CB-O 3.03Å; E735-K1752 WeakPolarHBondContact CG-O 2.85Å; E735-K1752 VanDerWaalsContact N-CA 3.31Å; E735-K1752 PolarHBondContact N-O 3.15Å; E735-K1752 PolarHBondContact O-N 2.42Å; E735-K1752 VanDerWaalsContact O-N 3.15Å; T736-K1752 PolarHBondContact OG1-O 3.01Å
1753	T	25.1	Very low	25	Very low	45 Å²	45	119.2 Å²	119.2	28%	0.276	68%	0.678	S	S	.	*				0	0	0	34	0	0	0	0	109.3	I733 Q734 E735	I733-T1753 HydrophobicContact CB-CG2 4.13Å; I733-T1753 HydrophobicContact CD1-CG2 4.36Å; I733-T1753 HydrophobicContact CG2-CG2 2.67Å; Q734-T1753 VanDerWaalsContact CB-O 3.3Å; Q734-T1753 WeakPolarHBondContact CB-O 3.03Å; Q734-T1753 WeakPolarHBondContact O-CA 2.94Å; Q734-T1753 PolarHBondContact O-N 2.96Å; E735-T1753 WeakPolarHBondContact CB-OG1 2.19Å; E735-T1753 WeakPolarHBondContact CG-O 3.47Å; E735-T1753 WeakPolarHBondContact OE2-CB 3.15Å; E735-T1753 PolarHBondContact OE2-OG1 3.14Å
1754	V	24.4	Very low	25.3	Very low	49 Å²	49	118.8 Å²	118.8	30%	0.297	68%	0.683	S	S	.	*				0	0	0	176.2	0	0	0	0	109.8	I732 I733 Q734	I732-V1754 HydrophobicContact CG2-CG2 4.29Å; I733-V1754 HydrophobicContact CB-CG2 4.05Å; I733-V1754 HydrophobicContact CD1-CG2 4.02Å; I733-V1754 HydrophobicContact CG1-CG2 3.4Å; I733-V1754 VanDerWaalsContact CG1-CG2 3.4Å; I733-V1754 HydrophobicContact CG2-CG2 3.76Å; Q734-V1754 VanDerWaalsContact OE1-CA 3.29Å
1755	N	24.1	Very low	25.3	Very low	129 Å²	129	118.9 Å²	118.9	69%	0.69	69%	0.688	S	S	*	*				0	116	0	-85.3	-10	0	0	0	110.6
1756	V	24.1	Very low	25.2	Very low	106 Å²	106	114.2 Å²	114.2	64%	0.642	68%	0.682	S	S	*	*				154.5	104.7	121.3	175.8	0	0	0	0	108.1
1757	I	23.9	Very low	25.3	Very low	127 Å²	127	115.1 Å²	115.1	65%	0.651	68%	0.683	S	S	*	*				113.5	105.7	104.3	-61.9	176.6	0	0	0	108.6
1758	R	24.5	Very low	25.4	Very low	209 Å²	209	115.6 Å²	115.6	79%	0.789	69%	0.685	S	S	*	*				116.5	97.6	103.1	-140	173.9	144.2	151.8	-0.4	109.8
1759	D	26.4	Very low	25.6	Very low	124 Å²	124	117.1 Å²	117.1	66%	0.663	69%	0.688	S	S	*	*				143.8	99.4	115.9	-89.4	-14.9	0	0	0	109.3
1760	S	26.1	Very low	25.5	Very low	114 Å²	114	120 Å²	120	80%	0.797	69%	0.689	S	S	*	*				109.1	98.7	101.4	42.6	0	0	0	0	109.8
1761	G	28.3	Very low	25.6	Very low	71 Å²	71	119.8 Å²	119.8	73%	0.732	69%	0.689	S	S	*	*				123.5	96.9	106.6	0	0	0	0	0	110.3
1762	C	26.3	Very low	25.7	Very low	131 Å²	131	118.6 Å²	118.6	89%	0.885	69%	0.686	S	S	*	*				106.8	96	95.3	-113.1	0	0	0	0	109.6
1763	A	25.6	Very low	25.7	Very low	92 Å²	92	121.5 Å²	121.5	76%	0.76	70%	0.695	S	S	*	*				49.2	159.7	112.4	0	0	0	0	0	111.2
1764	P	30.5	Very low	26.1	Very low	112 Å²	112	128.8 Å²	128.8	73%	0.727	72%	0.719	S	S	*	*			cis	-152.9	146.1	-46.2	33.5	-5.2	0	0	0	112.1
1765	S	22.7	Very low	26.3	Very low	110 Å²	110	134.3 Å²	134.3	77%	0.769	74%	0.735	S	S	*	*			trans	103.1	114.1	133.6	115.7	0	0	0	0	110.3
1766	A	23.6	Very low	26.4	Very low	78 Å²	78	135.8 Å²	135.8	65%	0.645	74%	0.738	S	S	*	*				83.9	0	112.5	0	0	0	0	0	110.4
1767	T	26.6	Very low	26.5	Very low	135 Å²	135	137.2 Å²	137.2	83%	0.828	74%	0.738	S	S	*	*				0	0	0	50.9	0	0	0	0	109
1768	D	25.7	Very low	26.8	Very low	161 Å²	161	137.4 Å²	137.4	86%	0.861	74%	0.736	S	S	*	*				0	0	0	-86.7	-17.4	0	0	0	111.2
1769	E	28.1	Very low	27.1	Very low	186 Å²	186	132.9 Å²	132.9	87%	0.869	73%	0.726	S	S	*	*				0	0	0	-70.4	-165.1	170.1	0	0	109.4
1770	D	25	Very low	27.3	Very low	157 Å²	157	133.7 Å²	133.7	84%	0.84	73%	0.731	S	S	*	*				0	0	0	-72.1	-28.3	0	0	0	111.1
1771	E	25.5	Very low	27.4	Very low	154 Å²	154	135 Å²	135	72%	0.72	73%	0.729	S	S	*	*				0	105.3	0	-78.6	-116.6	168.5	0	0	109.8
1772	D	26.6	Very low	27.4	Very low	90 Å²	90	139.6 Å²	139.6	48%	0.481	74%	0.736	S	S	.	*				98.3	101.3	109.2	-72.5	-21.7	0	0	0	110
1773	Y	27.3	Very low	27.5	Very low	172 Å²	172	139.6 Å²	139.6	68%	0.675	73%	0.732	S	S	*	*				151	89	123.9	-125	-96.2	0	0	0	109.3
1774	Y	32.2	Very low	27.9	Very low	198 Å²	198	141.5 Å²	141.5	78%	0.776	73%	0.73	S	S	*	*				171.7	0	99.7	-110.3	-89.3	0	0	0	108.9
1775	Y	28.2	Very low	28	Very low	164 Å²	164	141.6 Å²	141.6	64%	0.643	72%	0.724	S	S	*	*				0	97.8	0	-89.8	-81.5	0	0	0	111
1776	E	26.9	Very low	28.3	Very low	161 Å²	161	143.7 Å²	143.7	75%	0.752	73%	0.727	S	S	*	*				-144.2	75.7	112.7	-81.2	-164.9	174	0	0	109.5
1777	E	26.4	Very low	28.9	Very low	135 Å²	135	144 Å²	144	63%	0.631	72%	0.715	S	S	*	*				-29.7	85.3	121.4	-94.6	-176.7	-175.9	0	0	111.7	I1779	E1777-I1779 HydrophobicContact CB-CD1 4.3Å; E1777-I1779 HydrophobicContact CB-CG1 3.99Å
1778	E	29.4	Very low	29	Very low	131 Å²	131	142 Å²	142	61%	0.612	70%	0.702	S	S	*	*			trans	-100.1	81.2	155.7	-83	-176.8	179.3	0	0	109.8
1779	I	32.3	Very low	29.2	Very low	114 Å²	114	140.6 Å²	140.6	59%	0.585	70%	0.695	S	S	*	*				25.4	0	110.1	-59.4	173.4	0	0	0	110	E1777	E1777-I1779 HydrophobicContact CB-CD1 4.3Å; E1777-I1779 HydrophobicContact CB-CG1 3.99Å
1780	D	29.4	Very low	29.1	Very low	141 Å²	141	138 Å²	138	75%	0.754	69%	0.687	S	S	*	*				0	0	0	-75.3	-32.5	0	0	0	111.1
1781	D	28.7	Very low	29.2	Very low	143 Å²	143	136.9 Å²	136.9	77%	0.765	68%	0.681	S	S	*	*				0	0	0	-76	-31.2	0	0	0	109.4	V1783	D1781-V1783 PolarHBondContact O-N 3.22Å
1782	D	29.3	Very low	29.2	Very low	166 Å²	166	137.5 Å²	137.5	89%	0.888	68%	0.683	S	S	*	*				0	83.1	0	-72.3	-32.6	0	0	0	111.3
1783	V	28.1	Very low	29.4	Very low	132 Å²	132	138.8 Å²	138.8	80%	0.8	70%	0.695	S	S	*	*			trans	-65.8	86.1	158	-180	0	0	0	0	109	D1781	D1781-V1783 PolarHBondContact O-N 3.22Å
1784	D	33.1	Very low	29.4	Very low	131 Å²	131	134.1 Å²	134.1	70%	0.701	68%	0.684	S	S	*	*			trans	-58.5	0	145.4	-71.9	-35.9	0	0	0	111
1785	D	32.4	Very low	29.2	Very low	115 Å²	115	130.9 Å²	130.9	62%	0.615	68%	0.676	S	S	*	*				0	0	0	-85	-31.7	0	0	0	109.5
1786	D	29	Very low	29.2	Very low	153 Å²	153	128.3 Å²	128.3	82%	0.818	67%	0.67	S	S	*	*	B	Isolated β-bridge		0	0	0	-72.8	-25.6	0	0	0	111	N1151 S1152	N1151-D1786 CarbonylContact C-O 3.56Å; S1152-D1786 VanDerWaalsContact CA-O 3.23Å; S1152-D1786 WeakPolarHBondContact CA-O 3.09Å; S1152-D1786 PolarHBondContact N-O 3.45Å
1787	H	36.1	Very low	29.2	Very low	86 Å²	86	126 Å²	126	40%	0.398	66%	0.661	S	S	.	*				0	0	0	-95.3	-41.1	0	0	0	109.3	S1150 N1151 S1152 S1153	S1150-H1787 VanDerWaalsContact CA-CD2 3.44Å; S1150-H1787 WeakPolarHBondContact CA-CD2 3.06Å; N1151-H1787 CarbonylContact C-O 3.04Å; N1151-H1787 CovalentContact CA-CB 1.73Å; N1151-H1787 WeakPolarHBondContact CA-CD2 3.41Å; N1151-H1787 HydrophobicContact CB-CB 2.59Å; N1151-H1787 PolarHBondContact N-CD2 2.54Å; N1151-H1787 VanDerWaalsContact O-CB 3.28Å; N1151-H1787 WeakPolarHBondContact O-CB 2.81Å; N1151-H1787 WeakPolarHBondContact OD1-CB 3.35Å; N1151-H1787 PolarHBondContact OD1-CD2 3.18Å; N1151-H1787 PolarHBondContact OD1-CE1 3.28Å; N1151-H1787 PolarHBondContact OD1-ND1 3.34Å; N1151-H1787 PolarHBondContact OD1-NE2 2.9Å; S1152-H1787 CarbonylContact C-O 1.8Å; S1152-H1787 CovalentContact CA-N 1.52Å; S1152-H1787 WeakPolarHBondContact CA-O 3.08Å; S1152-H1787 CovalentContact CB-C 0.95Å; S1152-H1787 CovalentContact CB-CA 1.18Å; S1152-H1787 WeakPolarHBondContact CB-O 2.85Å; S1152-H1787 CovalentContact N-N 1.84Å; S1152-H1787 PolarHBondContact N-O 2.83Å; S1152-H1787 CarbonylContact O-C 3.08Å; S1152-H1787 WeakPolarHBondContact OG-CA 3.46Å; S1152-H1787 PolarHBondContact OG-N 3.48Å; S1152-H1787 PolarHBondContact OG-O 2.9Å; S1153-H1787 WeakPolarHBondContact CB-O 2.86Å; S1153-H1787 PolarHBondContact N-O 3.36Å; S1153-H1787 VanDerWaalsContact OG-C 3.24Å; S1153-H1787 PolarHBondContact OG-O 3.24Å
1788	V	29.1	Very low	29.2	Very low	92 Å²	92	123.3 Å²	123.3	56%	0.558	66%	0.657	S	S	*	*				0	111.2	0	177.6	0	0	0	0	107.6	S1152 S1153	S1152-V1788 WeakPolarHBondContact O-CG2 2.71Å; S1152-V1788 WeakPolarHBondContact OG-CA 3.37Å; S1152-V1788 WeakPolarHBondContact OG-CB 2.64Å; S1152-V1788 CovalentContact OG-N 1.53Å; S1152-V1788 PolarHBondContact OG-N 2.98Å; S1153-V1788 WeakPolarHBondContact OG-CB 3.03Å; S1153-V1788 WeakPolarHBondContact OG-CG2 3.22Å; S1153-V1788 PolarHBondContact OG-N 2.59Å; S1153-V1788 VanDerWaalsContact OG-N 3.13Å
1789	N	29.4	Very low	29.2	Very low	132 Å²	132	124.2 Å²	124.2	71%	0.706	66%	0.662	S	S	*	*				9.6	0	94.5	-83.8	-19.5	0	0	0	112.1
1790	N	27.6	Very low	29	Very low	131 Å²	131	123.6 Å²	123.6	70%	0.701	66%	0.66	S	S	*	*				0	100.7	0	-86.2	-12.3	0	0	0	110.3
1791	D	26.6	Very low	29.1	Very low	134 Å²	134	123.4 Å²	123.4	72%	0.717	65%	0.654	S	S	*	*				93.3	95.6	118.2	-92.1	-15	0	0	0	110.2
1792	E	26.2	Very low	29	Very low	166 Å²	166	122.4 Å²	122.4	78%	0.776	65%	0.647	S	S	*	*				80	108.2	127.8	-89.8	-175.8	175.3	0	0	110.7
1793	T	29.4	Very low	28.9	Very low	117 Å²	117	119.7 Å²	119.7	72%	0.718	63%	0.633	S	S	*	*				100.1	118	117.6	49.8	0	0	0	0	109.8
1794	V	27.2	Very low	28.9	Very low	74 Å²	74	118.3 Å²	118.3	45%	0.448	62%	0.62	S	S	.	*				88.2	0	101.1	-179.5	0	0	0	0	109.1	F1161	F1161-V1794 HydrophobicContact CZ-CG2 4.46Å
1795	E	28.7	Very low	28.5	Very low	130 Å²	130	118.5 Å²	118.5	61%	0.607	62%	0.62	S	S	*	*				0	119.2	0	-85.6	-156.3	173.9	0	0	110.1
1796	E	27.7	Very low	28.3	Very low	111 Å²	111	117.9 Å²	117.9	52%	0.519	62%	0.621	S	S	.	*				100.2	116.4	104.3	-104.6	-177.6	179	0	0	110.3
1797	I	27.8	Very low	28.4	Very low	112 Å²	112	115.6 Å²	115.6	57%	0.574	62%	0.617	S	S	*	*				102.9	113	105.6	-60.1	172.3	0	0	0	108.8
1798	S	26.3	Very low	27.9	Very low	78 Å²	78	117.6 Å²	117.6	55%	0.545	64%	0.64	S	S	.	*				104.4	117.7	101.2	69.1	0	0	0	0	110.2
1799	E	29.3	Very low	27.9	Very low	150 Å²	150	116.1 Å²	116.1	70%	0.701	64%	0.644	S	S	*	*				117	111.2	102.4	-93	179.7	-179.7	0	0	110.1
1800	N	28.1	Very low	27.7	Very low	102 Å²	102	116 Å²	116	55%	0.545	65%	0.648	S	S	.	*				101.7	110.3	96.7	-79.1	-11.7	0	0	0	110.4
1801	H	32.1	Very low	27.6	Very low	136 Å²	136	116.8 Å²	116.8	63%	0.63	65%	0.651	S	S	*	*				135.8	0	106.9	-103.7	-81	0	0	0	109.7
1802	I	26.5	Very low	27.4	Very low	123 Å²	123	114.4 Å²	114.4	63%	0.631	64%	0.644	S	S	*	*				0	110.8	0	-61.8	176.3	0	0	0	109.4	I1804	I1802-I1804 HydrophobicContact CG2-CG1 4.49Å
1803	D	26.9	Very low	27.4	Very low	109 Å²	109	112.3 Å²	112.3	58%	0.583	64%	0.643	S	S	*	*				164.9	105.2	118.6	-85.9	-16.3	0	0	0	109.9
1804	I	27.7	Very low	27.2	Very low	103 Å²	103	111 Å²	111	53%	0.528	64%	0.639	S	S	.	*				116.5	103.1	92.8	-64.9	177.3	0	0	0	108.6	I1802	I1802-I1804 HydrophobicContact CG2-CG1 4.49Å
1805	L	25.7	Very low	27	Very low	134 Å²	134	113.8 Å²	113.8	70%	0.702	65%	0.651	S	S	*	*				127.6	103.7	95.7	-79.7	165.1	0	0	0	109.7
1806	T	27.8	Very low	26.9	Very low	103 Å²	103	113.5 Å²	113.5	63%	0.632	66%	0.658	S	S	*	*				114	102.8	95	36.5	0	0	0	0	109.4
1807	S	29.8	Very low	26.8	Very low	105 Å²	105	112.9 Å²	112.9	73%	0.734	67%	0.667	S	S	*	*				145.8	0	104.4	45	0	0	0	0	109.3
1808	S	25.6	Very low	26.6	Very low	127 Å²	127	113.9 Å²	113.9	89%	0.888	68%	0.678	S	S	*	*				0	110.5	0	-56.8	0	0	0	0	110.7
1809	G	29.5	Very low	26.5	Very low	62 Å²	62	114.8 Å²	114.8	64%	0.639	68%	0.682	S	S	*	*				142.8	99.2	109.4	0	0	0	0	0	110.2
1810	T	24.7	Very low	26.2	Very low	129 Å²	129	116.4 Å²	116.4	79%	0.791	69%	0.687	S	S	*	*				48.9	121.5	99.3	48.7	0	0	0	0	110.6
1811	I	26.7	Very low	25.9	Very low	148 Å²	148	120.7 Å²	120.7	76%	0.759	70%	0.701	S	S	*	*				164.2	107.8	116.1	-66	172.8	0	0	0	108.3
1812	S	22.7	Very low	25.5	Very low	83 Å²	83	120.7 Å²	120.7	58%	0.58	71%	0.71	S	S	*	*				59.7	124.7	96	33.1	0	0	0	0	111
1813	T	25.3	Very low	25.4	Very low	123 Å²	123	117.2 Å²	117.2	76%	0.755	70%	0.704	S	S	*	*				130.2	120	106	53.9	0	0	0	0	109.2
1814	S	24.3	Very low	25.3	Very low	89 Å²	89	118.3 Å²	118.3	62%	0.622	72%	0.715	S	S	*	*				95.8	120.9	100.8	57.6	0	0	0	0	110.2
1815	D	24.4	Very low	25.1	Very low	133 Å²	133	117 Å²	117	71%	0.711	72%	0.72	S	S	*	*				118.8	117	112	-82	-16.8	0	0	0	109.7
1816	T	25.3	Very low	25.1	Very low	123 Å²	123	114.8 Å²	114.8	76%	0.755	72%	0.715	S	S	*	*				119.5	111.8	112.3	38.6	0	0	0	0	109.4
1817	S	26	Very low	24.9	Very low	99 Å²	99	115.1 Å²	115.1	69%	0.692	71%	0.712	S	S	*	*				104.6	105.4	112.9	61.6	0	0	0	0	110.1
1818	T	23.3	Very low	24.7	Very low	133 Å²	133	117.8 Å²	117.8	82%	0.816	71%	0.711	S	S	*	*				62.7	0	125.5	45.9	0	0	0	0	110.5
1819	P	25.9	Very low	24.9	Very low	96 Å²	96	117.2 Å²	117.2	62%	0.623	70%	0.698	S	S	*	*				0	0	0	34	-5	0	0	0	111.8
1820	K	21	Very low	24.8	Very low	185 Å²	185	121.1 Å²	121.1	80%	0.804	70%	0.704	S	S	*	*				0	116.5	0	-82.6	-173.6	-179.5	170.6	0	110.5
1821	F	23.7	Very low	25.1	Very low	191 Å²	191	119.4 Å²	119.4	84%	0.838	70%	0.703	S	S	*	*				163.5	0	127.2	-104.9	-85.2	0	0	0	108.9
1822	V	21.8	Very low	25.1	Very low	136 Å²	136	116.7 Å²	116.7	82%	0.824	70%	0.697	S	S	*	*				0	115.1	0	179.6	0	0	0	0	109.7
1823	G	26.3	Very low	25.2	Very low	50 Å²	50	119 Å²	119	52%	0.515	70%	0.702	S	S	.	*			trans	158.7	0	130.7	0	0	0	0	0	110.4
1824	V	23.2	Very low	25.5	Very low	133 Å²	133	118.4 Å²	118.4	81%	0.806	69%	0.694	S	S	*	*				0	118.6	0	-174.3	0	0	0	0	109.6
1825	A	24.8	Very low	25.8	Very low	76 Å²	76	121.6 Å²	121.6	63%	0.628	70%	0.7	S	S	*	*				109.7	0	112.1	0	0	0	0	0	110
1826	S	24.1	Very low	25.9	Very low	86 Å²	86	119.5 Å²	119.5	60%	0.601	70%	0.695	S	S	*	*				0	115.5	0	96.7	0	0	0	0	110.5
1827	I	23.7	Very low	26.1	Very low	111 Å²	111	120.2 Å²	120.2	57%	0.569	70%	0.695	S	S	*	*				109.6	113.4	104.3	-62.9	174.5	0	0	0	108.9
1828	F	26.4	Very low	26.2	Very low	160 Å²	160	122.9 Å²	122.9	70%	0.702	70%	0.696	S	S	*	*				139.5	118.3	110.7	-95.3	-81.6	0	0	0	109.2
1829	D	29.9	Very low	26.4	Very low	116 Å²	116	122.1 Å²	122.1	62%	0.62	69%	0.686	S	S	*	*				134	0	99.2	-84.9	-21.5	0	0	0	109.6
1830	D	27.9	Very low	26.5	Very low	143 Å²	143	123.1 Å²	123.1	77%	0.765	69%	0.686	S	S	*	*				0	0	0	-84.4	-17.8	0	0	0	110.4
1831	A	29.6	Very low	27.1	Very low	93 Å²	93	122.6 Å²	122.6	77%	0.769	68%	0.684	S	S	*	*				0	0	0	0	0	0	0	0	109.9
1832	S	26.7	Very low	27.2	Very low	92 Å²	92	119.4 Å²	119.4	64%	0.643	68%	0.681	S	S	*	*				0	0	0	151.8	0	0	0	0	110.5
1833	L	26.4	Very low	27.4	Very low	132 Å²	132	118.3 Å²	118.3	69%	0.691	68%	0.679	S	S	*	*				0	0	0	-113.9	129.5	0	0	0	109.8
1834	D	30.5	Very low	27.5	Very low	110 Å²	110	120.4 Å²	120.4	59%	0.588	69%	0.686	S	S	*	*				0	0	0	-106.8	-5.4	0	0	0	109.8
1835	Q	31	Very low	27.6	Very low	156 Å²	156	120.3 Å²	120.3	73%	0.729	68%	0.679	S	S	*	*				0	0	0	-97.1	177.4	16.1	0	0	110.2
1836	S	25.6	Very low	27.7	Very low	89 Å²	89	123.7 Å²	123.7	62%	0.622	68%	0.682	S	S	*	*				0	0	0	42.1	0	0	0	0	110.7
1837	N	30.3	Very low	27.9	Very low	138 Å²	138	124.7 Å²	124.7	74%	0.738	68%	0.68	S	S	*	*				0	0	0	-93.4	-10.2	0	0	0	109.9
1838	Q	28.6	Very low	28.2	Very low	155 Å²	155	124.9 Å²	124.9	72%	0.724	68%	0.682	S	S	*	*				0	0	0	-107.5	-171.7	49.8	0	0	110.7
1839	L	28.2	Very low	28.1	Very low	116 Å²	116	124.2 Å²	124.2	61%	0.607	69%	0.685	S	S	*	*				0	0	0	-96.6	141.6	0	0	0	109.4
1840	D	27.8	Very low	27.9	Very low	117 Å²	117	125.1 Å²	125.1	63%	0.626	69%	0.69	S	S	*	*				0	0	0	-89.8	-16.2	0	0	0	109.7
1841	K	31.9	Very low	27.8	Very low	174 Å²	174	123.8 Å²	123.8	76%	0.757	68%	0.681	S	S	*	*				0	0	0	-91.7	179.6	-176.9	179	0	109.9
1842	T	27	Very low	27.6	Very low	125 Å²	125	125.2 Å²	125.2	77%	0.767	68%	0.676	S	S	*	*				0	0	0	57.5	0	0	0	0	109.7
1843	S	25.9	Very low	27.6	Very low	113 Å²	113	125.7 Å²	125.7	79%	0.79	67%	0.671	S	S	*	*				0	0	0	58.2	0	0	0	0	109.9
1844	S	27.2	Very low	27.6	Very low	94 Å²	94	126.4 Å²	126.4	66%	0.657	68%	0.676	S	S	*	*				0	0	0	92.4	0	0	0	0	109.7
1845	I	25.7	Very low	27.3	Very low	131 Å²	131	126.8 Å²	126.8	67%	0.672	68%	0.682	S	S	*	*				0	0	0	-64.7	170.6	0	0	0	108.8
1846	H	27.8	Very low	27	Very low	146 Å²	146	126.1 Å²	126.1	68%	0.676	68%	0.682	S	S	*	*				0	0	0	-109.1	-79.7	0	0	0	109.5
1847	D	28.7	Very low	26.8	Very low	108 Å²	108	128.2 Å²	128.2	58%	0.578	69%	0.686	S	S	*	*				0	112.1	0	-84.6	-20.7	0	0	0	109.7
1848	D	28.6	Very low	26.5	Very low	114 Å²	114	127.1 Å²	127.1	61%	0.61	68%	0.684	S	S	*	*				119.6	109.2	101.5	-85.6	-15.2	0	0	0	109.7
1849	L	25	Very low	26.2	Very low	146 Å²	146	126.3 Å²	126.3	76%	0.764	69%	0.689	S	S	*	*				85.4	112.4	98.9	-82.6	160.4	0	0	0	110
1850	L	25.8	Very low	26	Very low	136 Å²	136	124.4 Å²	124.4	71%	0.712	69%	0.691	S	S	*	*				143.9	108.5	106.4	-109.1	128.4	0	0	0	109.2
1851	I	25.9	Very low	26.1	Very low	115 Å²	115	120.6 Å²	120.6	59%	0.59	67%	0.672	S	S	*	*				81.5	104.4	103.2	-58.4	173.5	0	0	0	109
1852	D	25.7	Very low	25.8	Very low	122 Å²	122	114.7 Å²	114.7	65%	0.652	65%	0.652	S	S	*	*				125.3	107.2	97.4	-93.4	-19	0	0	0	109.4
1853	N	26.5	Very low	25.9	Very low	102 Å²	102	109.9 Å²	109.9	55%	0.545	62%	0.623	S	S	.	*				115.3	96.9	126.4	-80.8	-29.3	0	0	0	110.1
1854	D	25.5	Very low	25.8	Very low	147 Å²	147	108.8 Å²	108.8	79%	0.786	62%	0.621	S	S	*	*				39.9	100	103.4	-83.5	-15.6	0	0	0	111.2
1855	V	24.7	Very low	25.6	Very low	118 Å²	118	111 Å²	111	72%	0.715	62%	0.624	S	S	*	*				130.5	103.9	117.6	178	0	0	0	0	108.2
1856	I	24.4	Very low	25.6	Very low	142 Å²	142	112.8 Å²	112.8	73%	0.728	63%	0.627	S	S	*	*				64	0	113.2	-62	174.8	0	0	0	109.4
1857	D	22.6	Very low	25.4	Very low	134 Å²	134	111.7 Å²	111.7	72%	0.717	62%	0.624	S	S	*	*				0	102	0	-92.1	-14.2	0	0	0	110.7
1858	V	23.3	Very low	25.5	Very low	115 Å²	115	111.6 Å²	111.6	70%	0.697	63%	0.632	S	S	*	*				100.4	0	106.9	179.6	0	0	0	0	108.7
1859	V	22.6	Very low	25.2	Very low	137 Å²	137	109.4 Å²	109.4	83%	0.83	64%	0.636	S	S	*	*				0	0	0	-179.7	0	0	0	0	109.6
1860	A	23.6	Very low	25.2	Very low	77 Å²	77	110.2 Å²	110.2	64%	0.636	64%	0.639	S	S	*	*				0	0	0	0	0	0	0	0	109.7	R1292	R1292-A1860 PolarHBondContact NH2-O 2.75Å
1861	P	29.2	Very low	25	Very low	36 Å²	36	110.4 Å²	110.4	23%	0.234	65%	0.646	C	S	.	*				0	0	0	33.4	-4.3	0	0	0	112.1	R1292	R1292-P1861 HydrophobicContact CB-CB 3.77Å; R1292-P1861 HydrophobicContact CB-CG 3.54Å; R1292-P1861 CovalentContact CD-CG 1.75Å; R1292-P1861 HydrophobicContact CG-CB 2.34Å; R1292-P1861 HydrophobicContact CG-CG 2.09Å; R1292-P1861 CovalentContact CZ-CD 1.63Å; R1292-P1861 CovalentContact NE-CG 1.58Å
1862	C	25.2	Very low	25	Very low	50 Å²	50	110.9 Å²	110.9	34%	0.338	66%	0.655	S	S	.	*				0	0	0	-98.3	0	0	0	0	111.6	Q1288 D1291	Q1288-C1862 VanDerWaalsContact C-C 3.4Å; Q1288-C1862 CarbonylContact C-O 2.89Å; Q1288-C1862 WeakPolarHBondContact CA-O 2.81Å; Q1288-C1862 VanDerWaalsContact CB-O 3.24Å; Q1288-C1862 WeakPolarHBondContact CB-O 3.41Å; Q1288-C1862 CarbonylContact O-C 3.18Å; D1291-C1862 VanDerWaalsContact C-CB 3.41Å; D1291-C1862 WeakPolarHBondContact CA-SG 3.18Å; D1291-C1862 CovalentContact CB-CB 1.2Å; D1291-C1862 HydrophobicContact CB-CB 1.2Å; D1291-C1862 WeakPolarHBondContact CB-SG 3.38Å; D1291-C1862 CovalentContact CG-SG 1.13Å; D1291-C1862 WeakPolarHBondContact OD1-CB 2.86Å; D1291-C1862 PolarHBondContact OD1-SG 3.12Å; D1291-C1862 WeakPolarHBondContact OD2-CA 2.65Å; D1291-C1862 WeakPolarHBondContact OD2-CB 3.48Å; D1291-C1862 CovalentContact OD2-SG 1.2Å; D1291-C1862 PolarHBondContact OD2-SG 3.42Å
1863	P	29.1	Very low	25	Very low	25 Å²	25	109.9 Å²	109.9	16%	0.162	66%	0.658	C	S	.	*				0	0	0	33.5	-5.6	0	0	0	112.2	T1287 Q1288 I1290 D1291	T1287-P1863 CarbonylContact C-O 3.53Å; T1287-P1863 VanDerWaalsContact CA-CD 3.44Å; T1287-P1863 CarbonylContact O-C 3.2Å; T1287-P1863 WeakPolarHBondContact O-CA 3.13Å; T1287-P1863 WeakPolarHBondContact O-CB 3.06Å; T1287-P1863 CovalentContact O-CD 1.26Å; T1287-P1863 WeakPolarHBondContact O-CD 2.99Å; T1287-P1863 WeakPolarHBondContact O-CG 3.33Å; Q1288-P1863 VanDerWaalsContact CA-N 3.27Å; Q1288-P1863 WeakPolarHBondContact O-CD 3.47Å; I1290-P1863 HydrophobicContact CB-CB 4.17Å; I1290-P1863 HydrophobicContact CB-CG 3.66Å; I1290-P1863 VanDerWaalsContact N-CG 3.32Å; D1291-P1863 HydrophobicContact CB-CB 3.72Å; D1291-P1863 HydrophobicContact CB-CG 4.35Å; D1291-P1863 VanDerWaalsContact CG-CB 3.44Å; D1291-P1863 WeakPolarHBondContact OD2-CA 3.05Å; D1291-P1863 VanDerWaalsContact OD2-CB 3.27Å; D1291-P1863 WeakPolarHBondContact OD2-CB 3.17Å
1864	A	25.3	Very low	24.8	Very low	89 Å²	89	113.1 Å²	113.1	74%	0.736	67%	0.673	S	S	*	*				0	74	0	0	0	0	0	0	109.1
1865	I	23.5	Very low	24.8	Very low	142 Å²	142	112.7 Å²	112.7	73%	0.728	67%	0.671	S	S	*	*			trans	-140.7	0	153.9	-61.6	174.2	0	0	0	108.2
1866	F	24.6	Very low	25.4	Very low	168 Å²	168	112.2 Å²	112.2	74%	0.737	67%	0.67	S	S	*	*				0	0	0	-107.1	-86.4	0	0	0	109.3
1867	M	24	Very low	25.5	Very low	122 Å²	122	111 Å²	111	60%	0.601	67%	0.672	S	S	*	*				0	0	0	-78.7	-95.4	127.7	0	0	109.4
1868	S	30	Very low	25.9	Very low	107 Å²	107	110.3 Å²	110.3	75%	0.748	67%	0.672	S	S	*	*				0	0	0	52.3	0	0	0	0	111.6
1869	G	23.9	Very low	25.9	Very low	68 Å²	68	112.1 Å²	112.1	70%	0.701	68%	0.676	S	S	*	*				0	0	0	0	0	0	0	0	110.2
1870	I	23.6	Very low	25.9	Very low	162 Å²	162	111.7 Å²	111.7	83%	0.831	67%	0.668	S	S	*	*				0	76.7	0	-46.1	175.8	0	0	0	108.4
1871	T	22.8	Very low	26	Very low	140 Å²	140	114.4 Å²	114.4	86%	0.859	68%	0.677	S	S	*	*			trans	-100.7	0	144.2	57.9	0	0	0	0	109.5
1872	T	24.8	Very low	25.8	Very low	126 Å²	126	117.6 Å²	117.6	77%	0.773	70%	0.696	S	S	*	*				0	0	0	51.8	0	0	0	0	109.3
1873	S	25.3	Very low	25.8	Very low	101 Å²	101	121.7 Å²	121.7	71%	0.706	72%	0.719	S	S	*	*				0	0	0	170.7	0	0	0	0	111
1874	I	23.9	Very low	25.6	Very low	169 Å²	169	125.5 Å²	125.5	87%	0.867	74%	0.743	S	S	*	*				0	99.2	0	-64.4	173.7	0	0	0	108.1
1875	D	24.7	Very low	25.6	Very low	139 Å²	139	125.8 Å²	125.8	74%	0.743	74%	0.735	S	S	*	*			trans	16	146.6	133.1	-75.7	-23.8	0	0	0	111.6
1876	P	37.4	Very low	25.7	Very low	107 Å²	107	125 Å²	125	70%	0.695	73%	0.732	S	S	*	*			trans	-93.3	142.5	-137.7	33.9	-5.5	0	0	0	112
1877	P	25.8	Very low	25.7	Very low	118 Å²	118	122.2 Å²	122.2	77%	0.766	72%	0.724	S	S	*	*			trans	-145.9	0	131.9	31.5	-5.4	0	0	0	111.7
1878	T	30.7	Very low	25.8	Very low	118 Å²	118	122.8 Å²	122.8	72%	0.724	73%	0.728	S	S	*	*				0	108.6	0	-21.4	0	0	0	0	111.2	I1880	T1878-I1880 HydrophobicContact CG2-CG1 4.38Å
1879	I	23.2	Very low	25.5	Very low	153 Å²	153	122.9 Å²	122.9	79%	0.785	72%	0.724	S	S	*	*			trans	-141.8	0	136.9	-66.2	176.2	0	0	0	108.3
1880	I	24.3	Very low	25.6	Very low	129 Å²	129	127 Å²	127	66%	0.662	73%	0.73	S	S	*	*				0	0	0	-57.4	175.3	0	0	0	110	T1878	T1878-I1880 HydrophobicContact CG2-CG1 4.38Å
1881	T	24.9	Very low	25.8	Very low	133 Å²	133	126 Å²	126	82%	0.816	73%	0.727	S	S	*	*				0	0	0	-14.4	0	0	0	0	109.2
1882	T	25.2	Very low	26	Very low	104 Å²	104	126.4 Å²	126.4	64%	0.638	72%	0.724	S	S	*	*				0	0	0	-12.3	0	0	0	0	111.2
1883	T	25	Very low	26	Very low	135 Å²	135	126.2 Å²	126.2	83%	0.828	72%	0.722	S	S	*	*				0	0	0	-19.5	0	0	0	0	109
1884	T	25.5	Very low	26	Very low	106 Å²	106	127.8 Å²	127.8	65%	0.65	73%	0.728	S	S	*	*				0	114.3	0	30.8	0	0	0	0	111.2
1885	T	25.3	Very low	25.9	Very low	95 Å²	95	126.6 Å²	126.6	58%	0.583	72%	0.722	S	S	*	*				154.1	107.4	117.7	40.3	0	0	0	0	109
1886	N	25.6	Very low	25.9	Very low	124 Å²	124	125.8 Å²	125.8	66%	0.663	72%	0.722	S	S	*	*				102.5	107.7	99.7	-88.7	-15.5	0	0	0	110.5
1887	I	24.6	Very low	25.2	Very low	111 Å²	111	126.3 Å²	126.3	57%	0.569	72%	0.724	S	S	*	*				126.4	104.1	100.6	-63.2	175.2	0	0	0	108.8
1888	I	24.7	Very low	25.1	Very low	133 Å²	133	127 Å²	127	68%	0.682	72%	0.721	S	S	*	*				131.1	104.5	102.1	-64	174.5	0	0	0	108.5
1889	T	25.1	Very low	24.8	Very low	109 Å²	109	128.3 Å²	128.3	67%	0.669	72%	0.722	S	S	*	*				60.1	114.7	97	45.6	0	0	0	0	110.6
1890	N	26.1	Very low	24.9	Very low	154 Å²	154	124 Å²	124	82%	0.824	71%	0.714	S	S	*	*				174.4	109.2	115.1	-103	-2.7	0	0	0	109.7
1891	N	27	Very low	24.8	Very low	142 Å²	142	128.6 Å²	128.6	76%	0.759	72%	0.724	S	S	*	*				10.1	117.9	117.4	-74.2	-10.7	0	0	0	112.1
1892	N	26	Very low	24.8	Very low	149 Å²	149	128.6 Å²	128.6	80%	0.797	72%	0.719	S	S	*	*				163.7	112.6	124.8	-85.1	-9.1	0	0	0	109.7
1893	T	26.6	Very low	24.9	Very low	121 Å²	121	130.6 Å²	130.6	74%	0.742	73%	0.725	S	S	*	*				24.8	0	112.3	42.2	0	0	0	0	111
1894	T	24.3	Very low	24.9	Very low	134 Å²	134	129.4 Å²	129.4	82%	0.822	72%	0.723	S	S	*	*				0	0	0	-6	0	0	0	0	108.8
1895	I	22.9	Very low	25	Very low	145 Å²	145	133.5 Å²	133.5	74%	0.744	73%	0.734	S	S	*	*				0	0	0	-59.4	177.5	0	0	0	110
1896	T	24.1	Very low	24.9	Very low	121 Å²	121	138.7 Å²	138.7	74%	0.742	75%	0.749	S	S	*	*				0	0	0	37.2	0	0	0	0	108.9
1897	T	22.7	Very low	24.8	Very low	119 Å²	119	137.7 Å²	137.7	73%	0.73	75%	0.752	S	S	*	*				0	122.1	0	47.5	0	0	0	0	110.8
1898	N	23.4	Very low	24.8	Very low	133 Å²	133	137.9 Å²	137.9	71%	0.711	76%	0.758	S	S	*	*				120.7	116.6	115.5	-92.9	-9.4	0	0	0	109.9
1899	I	24.3	Very low	24.7	Very low	145 Å²	145	137.3 Å²	137.3	74%	0.744	76%	0.761	S	S	*	*				116.7	0	110.7	-64.6	173	0	0	0	108.2
1900	G	24.4	Very low	24.7	Very low	61 Å²	61	137.5 Å²	137.5	63%	0.629	77%	0.767	S	S	*	*				0	104.9	0	0	0	0	0	0	110.5
1901	R	24.2	Very low	24.6	Very low	227 Å²	227	136.1 Å²	136.1	86%	0.857	77%	0.769	S	S	*	*				112.7	0	105.2	-93.4	-174.9	177.5	127.1	0.4	109.6
1902	N	24	Very low	24.6	Very low	132 Å²	132	132.2 Å²	132.2	71%	0.706	76%	0.762	S	S	*	*				0	110.8	0	-88.7	-13.9	0	0	0	110.6
1903	D	27.6	Very low	24.5	Very low	146 Å²	146	136 Å²	136	78%	0.781	77%	0.767	S	S	*	*				154.1	105.2	117	-83.4	-20.9	0	0	0	109.2
1904	S	23.7	Very low	24.5	Very low	111 Å²	111	135.5 Å²	135.5	78%	0.776	76%	0.764	S	S	*	*				30.9	113.7	104.7	-56.9	0	0	0	0	111.4
1905	Q	27.7	Very low	24.5	Very low	191 Å²	191	135.9 Å²	135.9	89%	0.893	76%	0.761	S	S	*	*				165.9	106.1	126.4	-89.2	-164.8	-12.4	0	0	109.3
1906	K	23.4	Very low	24.7	Very low	204 Å²	204	133.6 Å²	133.6	89%	0.887	76%	0.758	S	S	*	*				34.5	117.6	106.1	-118.3	176	-175.7	-176	0	111.5
1907	S	24.4	Very low	24.6	Very low	103 Å²	103	132.3 Å²	132.3	72%	0.72	75%	0.754	S	S	*	*				150.2	0	123.8	57.9	0	0	0	0	109.4
1908	T	23.6	Very low	24.7	Very low	116 Å²	116	134 Å²	134	71%	0.712	76%	0.758	S	S	*	*				0	121.1	0	46.7	0	0	0	0	109.9
1909	T	23.8	Very low	25	Very low	121 Å²	121	139.2 Å²	139.2	74%	0.742	79%	0.786	S	S	*	*				102.2	120.6	106.8	49.8	0	0	0	0	109.1
1910	S	24.4	Very low	25	Very low	112 Å²	112	138.9 Å²	138.9	78%	0.783	79%	0.788	S	S	*	*				103	120.8	102.9	77.1	0	0	0	0	109.8
1911	S	24.8	Very low	25.1	Very low	125 Å²	125	143 Å²	143	87%	0.874	80%	0.797	S	S	*	*				119.7	118.9	108.1	171.2	0	0	0	0	109.5
1912	G	25.7	Very low	25.1	Very low	60 Å²	60	138.3 Å²	138.3	62%	0.619	79%	0.793	S	S	*	*				136.6	107.1	113.7	0	0	0	0	0	110.4
1913	Y	24.5	Very low	25.2	Very low	228 Å²	228	138.7 Å²	138.7	89%	0.894	80%	0.798	S	S	*	*				77.5	119	104.9	-121.3	-92.6	0	0	0	110.2
1914	V	26.5	Very low	25	Very low	112 Å²	112	138.3 Å²	138.3	68%	0.679	80%	0.799	S	S	*	*				139.2	111.4	108.6	-178.9	0	0	0	0	107.9
1915	D	24.6	Very low	25.1	Very low	142 Å²	142	140.1 Å²	140.1	76%	0.759	80%	0.801	S	S	*	*				50.2	117.6	110.5	-121.2	-6.6	0	0	0	111.1
1916	S	26.4	Very low	24.9	Very low	97 Å²	97	136.4 Å²	136.4	68%	0.678	79%	0.794	S	S	*	*				158.1	107.1	125	-67.2	0	0	0	0	109.3
1917	S	23.1	Very low	25	Very low	94 Å²	94	131.2 Å²	131.2	66%	0.657	79%	0.787	S	S	*	*				47.4	104.7	109.3	-16.7	0	0	0	0	111.1
1918	D	24.5	Very low	25.1	Very low	154 Å²	154	133.6 Å²	133.6	82%	0.824	79%	0.793	S	S	*	*				141.2	0	120.1	-83.7	-19.9	0	0	0	109.2
1919	D	29.2	Very low	25.2	Very low	242 Å²	242	135.2 Å²	135.2	100%	1.294	80%	0.8	S	S	*	*				0	0	0	-86.2	-19.6	0	0	0	109.1

Retrieved 1,919 of 1,919 residues in 1106.4 ms (Link to these results)

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