A0A087XQ15_POEFO Loading...

E3 ubiquitin-protein ligase CBL

E3 ubiquitin-protein ligase which accepts ubiquitin from specific E2 ubiquitin-conjugating enzymes, and transfers it to substrates, generally promoting their degradation by the proteasome.

AlphaFold DB , UniProt , Accession A0A087XQ15, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 947 aa.

						>A0A087XQ15_POEFO|A0A087XQ15
MAGNLKKGGGIIGMMKDAFQPHHHHLHSHHQPGAVDKKTVEKCWKLMDKVVRLCQNPKLALKNSPPYILDLLPDTYQHLRTILSRYEGKMETLGDNEYFRVFMENLTKKTKQTISLFKEGKERMYEENSQPRRNLTKLSLIFSHMLAELKAIFPNGLFQGVSFRITKADAAEFWTRAFGDKTIVPWKVFRQSLHEFHNISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWSSLLRNWNSLAVTHPGYMAFLTYDEVKARLQKFIHKPGSYIFRLSCTRLGQWAIGYVTADGNILQTIPHNKPLFQALIDGFREGFYLFPDGRTQNPDLMGLCEPSPQDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESEGQGTGCPFCRCEIKGTEPIVVDPFDPKDNSGGSSRAAMGAEGAPSPSYDDDDDDRLEDPHLVMSKLAGTKVDRPPSPMSMPPQSSLPPVPPRLDLLPHRPPNPPGASSPGATSKAATHHKDKPLPLPPALRDLPPPPPPDRPHAGGAAPEARHPRRPLPCTPGEPLRDKLPPTPPNRPMADWNSRPVPKAPTPSSSSSSPSSSSTHVPSLGGDLRAGVRELSNRHSLPLALPSALDNRADSQKNNSSLSLDQQLNFVDIVSQDYDNPKVKPSASANAIYSLANRSSQGLRQVPGEEACDSEEDSEYMIPSSRPIAVPSVPDTLQVQRPPHPLTQTQAPAVNSRLTLGAEVGLISYEAMYSVQPRSQQARDSDYSELPPLPVTNGPRDHAAEDREEEDNGYDFPKPRLPQPPARRTFSEMGGSLSSSSSSSSSCSSSVAAFNRLSLDSDFGAAASALEPAEAPERPPKPLPRRINSERRHSPVPPVPAPPGGGAAGGEANPLISSEIEHLMSQGYSYQDIQKALMIAQNNIEMAKNILREFVSVPSTAHIFT
					

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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	27.3	Very low	29.2	Very low	252 Å²	252	131.5 Å²	131.5	100%	1.241	81%	0.806	S	S	*	*				0	138.7	0	-57.8	167.9	-178.9	0	0	106.8
2	A	27.4	Very low	30	Very low	107 Å²	107	132.6 Å²	132.6	88%	0.884	80%	0.801	S	S	*	*			cis	-132.6	166.7	-14.1	0	0	0	0	0	106.2
3	G	25.4	Very low	29.9	Very low	68 Å²	68	125.4 Å²	125.4	70%	0.701	77%	0.77	S	S	*	*			cis	127.9	54.9	25.2	0	0	0	0	0	108.5	L5	G3-L5 PolarHBondContact O-N 2.84Å
4	N	26	Very low	30.3	Very low	161 Å²	161	128.3 Å²	128.3	86%	0.861	77%	0.773	S	S	*	*			trans	-83.7	109.5	-163.5	-168.7	-6.6	0	0	0	112.2	K6	N4-K6 PolarHBondContact O-N 2.73Å
5	L	28.2	Very low	30.8	Very low	163 Å²	163	126.7 Å²	126.7	85%	0.853	76%	0.756	S	S	*	*			trans	-87.3	99.6	-171.8	-134	75.7	0	0	0	112	G3 K7	G3-L5 PolarHBondContact O-N 2.84Å; L5-K7 PolarHBondContact O-N 2.79Å
6	K	30	Very low	30.8	Very low	199 Å²	199	129.1 Å²	129.1	87%	0.865	75%	0.754	S	S	*	*			trans	-69.2	110.4	170.9	-88.7	-175.6	172.7	178.2	0	110.7	N4 G8	N4-K6 PolarHBondContact O-N 2.73Å; K6-G8 PolarHBondContact O-N 2.84Å
7	K	32.5	Very low	30.7	Very low	209 Å²	209	130.3 Å²	130.3	91%	0.909	76%	0.756	S	S	*	*			trans	-56.6	134	166.6	-80.2	-175.6	172.8	-180	0	110.4	L5	L5-K7 PolarHBondContact O-N 2.79Å
8	G	26.8	Very low	30.9	Very low	77 Å²	77	125.4 Å²	125.4	79%	0.794	73%	0.734	S	S	*	*			trans	-70.2	131.6	173.5	0	0	0	0	0	111.5	K6 G10	K6-G8 PolarHBondContact O-N 2.84Å; G8-G10 PolarHBondContact O-N 3.49Å
9	G	26.5	Very low	31.3	Very low	80 Å²	80	127.6 Å²	127.6	83%	0.825	73%	0.734	S	S	*	*			trans	-75.4	111.5	173.8	0	0	0	0	0	111.2
10	G	26.6	Very low	31	Very low	51 Å²	51	129.5 Å²	129.5	53%	0.526	74%	0.736	S	S	.	*			trans	-68.2	160	169.6	0	0	0	0	0	112.4	G8 I12 G13	G8-G10 PolarHBondContact O-N 3.49Å; G10-I12 PolarHBondContact O-N 3.23Å; G10-G13 PolarHBondContact O-N 3.47Å
11	I	44.3	Very low	31	Very low	80 Å²	80	128.2 Å²	128.2	41%	0.41	73%	0.732	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57	-30.5	-169.1	-64.7	158.1	0	0	0	112.9	G13 M14 M15 V247	I11-G13 PolarHBondContact O-N 3.33Å; I11-G13 VanDerWaalsContact O-N 3.13Å; I11-M14 PolarHBondContact O-N 3.3Å; I11-M14 VanDerWaalsContact O-N 3.09Å; I11-M15 HydrophobicContact CG2-CE 4.44Å; I11-M15 HydrophobicContact CG2-SD 4.46Å; I11-M15 PolarHBondContact O-N 2.91Å; I11-V247 WeakPolarHBondContact CD1-O 2.96Å
12	I	39.5	Very low	31	Very low	144 Å²	144	123.7 Å²	123.7	74%	0.738	71%	0.708	S	S	*	*	H	α-helix	trans	-49.2	-37.9	173.2	-58	173.8	0	0	0	112.3	G10 M15 K16	G10-I12 PolarHBondContact O-N 3.23Å; I12-M15 PolarHBondContact O-N 3.5Å; I12-K16 PolarHBondContact O-N 2.96Å; I12-K16 VanDerWaalsContact O-N 3.14Å
13	G	27.6	Very low	31.1	Very low	39 Å²	39	126.9 Å²	126.9	40%	0.402	70%	0.704	S	S	.	*	H	α-helix	trans	-63.9	-42.1	-179.7	0	0	0	0	0	113.2	G10 I11 M15 K16	G10-G13 PolarHBondContact O-N 3.47Å; I11-G13 PolarHBondContact O-N 3.33Å; I11-G13 VanDerWaalsContact O-N 3.13Å; G13-M15 VanDerWaalsContact C-N 3.35Å; G13-K16 PolarHBondContact O-N 3.44Å
14	M	36.5	Very low	31.3	Very low	166 Å²	166	130.7 Å²	130.7	82%	0.818	70%	0.703	S	S	*	*	H	α-helix	trans	-80.1	-17.3	-178.1	-59.7	-160.7	77.1	0	0	113.4	I11 A18	I11-M14 PolarHBondContact O-N 3.3Å; I11-M14 VanDerWaalsContact O-N 3.09Å; M14-A18 WeakPolarHBondContact O-CB 3.44Å
15	M	38	Very low	31.5	Very low	104 Å²	104	131.4 Å²	131.4	51%	0.512	70%	0.701	S	S	.	*	H	α-helix	trans	-76.7	-35.9	168.1	-72.2	177.7	160.5	0	0	111.8	I11 I12 G13 D17 A18	I11-M15 HydrophobicContact CG2-CE 4.44Å; I11-M15 HydrophobicContact CG2-SD 4.46Å; I11-M15 PolarHBondContact O-N 2.91Å; I12-M15 PolarHBondContact O-N 3.5Å; G13-M15 VanDerWaalsContact C-N 3.35Å; M15-D17 PolarHBondContact O-N 3.4Å; M15-A18 PolarHBondContact O-N 3.12Å
16	K	30.5	Very low	31.5	Very low	165 Å²	165	131.8 Å²	131.8	72%	0.717	70%	0.703	S	S	*	*	H	α-helix	trans	-63.3	-38	-175.6	-166.9	173.1	-178.1	179	0	113.9	I12 G13	I12-K16 PolarHBondContact O-N 2.96Å; I12-K16 VanDerWaalsContact O-N 3.14Å; G13-K16 PolarHBondContact O-N 3.44Å
17	D	28.3	Very low	31.6	Very low	150 Å²	150	130.5 Å²	130.5	80%	0.802	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-5.8	177.3	-64.6	-37.5	0	0	0	113.6	M15	M15-D17 PolarHBondContact O-N 3.4Å
18	A	34.7	Very low	31.5	Very low	43 Å²	43	124.8 Å²	124.8	36%	0.355	69%	0.686	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.5	-23.4	-178.3	0	0	0	0	0	113.9	M14 M15	M14-A18 WeakPolarHBondContact O-CB 3.44Å; M15-A18 PolarHBondContact O-N 3.12Å
19	F	38.6	Very low	31.9	Very low	167 Å²	167	129.7 Å²	129.7	73%	0.732	69%	0.688	S	S	*	*			trans	-143.5	84.9	177.6	-72.2	-83.3	0	0	0	110.5	P21	F19-P21 WeakPolarHBondContact O-CD 3.13Å
20	Q	26	Very low	32.5	Very low	165 Å²	165	133.6 Å²	133.6	77%	0.771	69%	0.685	S	S	*	*			trans	-65.1	123.8	154.1	-92.9	-171.9	-11.6	0	0	108.1	H22	Q20-H22 PolarHBondContact O-N 3.08Å; Q20-H22 VanDerWaalsContact O-N 3.1Å
21	P	29.5	Very low	33.7	Very low	102 Å²	102	137.2 Å²	137.2	66%	0.662	69%	0.688	S	S	*	*			trans	-70.7	105.7	164.5	29.7	-30.9	0	0	0	107.7	F19 H23	F19-P21 WeakPolarHBondContact O-CD 3.13Å; P21-H23 PolarHBondContact O-N 2.62Å; P21-H23 VanDerWaalsContact O-N 3.09Å
22	H	29	Very low	34.4	Very low	157 Å²	157	133.9 Å²	133.9	73%	0.727	67%	0.671	S	S	*	*			trans	-58	117.1	154.5	-87	-55.8	0	0	0	106.8	Q20 H24	Q20-H22 PolarHBondContact O-N 3.08Å; Q20-H22 VanDerWaalsContact O-N 3.1Å; H22-H24 PolarHBondContact O-N 3.39Å
23	H	28.7	Very low	35.6	Very low	175 Å²	175	129.8 Å²	129.8	81%	0.81	67%	0.665	S	S	*	*			trans	-65.3	83.4	173	-86.6	-102.4	0	0	0	109.3	P21	P21-H23 PolarHBondContact O-N 2.62Å; P21-H23 VanDerWaalsContact O-N 3.09Å
24	H	30	Very low	37.9	Very low	147 Å²	147	131.2 Å²	131.2	68%	0.681	67%	0.673	S	S	*	*			trans	-77.1	120.1	162.4	-78	12.2	0	0	0	107.9	H22 L26	H22-H24 PolarHBondContact O-N 3.39Å; H24-L26 PolarHBondContact O-N 3Å
25	H	28.7	Very low	40.2	Very low	177 Å²	177	123.7 Å²	123.7	82%	0.819	64%	0.636	S	S	*	*			trans	-55.5	122.1	177.3	-85.9	-109.4	0	0	0	110.6	H27	H25-H27 VanDerWaalsContact C-N 3.35Å; H25-H27 PolarHBondContact O-N 3.42Å
26	L	29.9	Very low	42.5	Very low	171 Å²	171	121.7 Å²	121.7	90%	0.895	63%	0.627	S	S	*	*			trans	34.5	56.2	148.4	-152.9	79	0	0	0	116	H24 S28	H24-L26 PolarHBondContact O-N 3Å; L26-S28 PolarHBondContact O-N 3.4Å; L26-S28 VanDerWaalsContact O-N 3.1Å
27	H	31.6	Very low	45.1	Very low	172 Å²	172	119.5 Å²	119.5	80%	0.796	62%	0.618	S	S	*	*			trans	-62.5	117.1	162.7	-92.4	-64.1	0	0	0	108.1	H25	H25-H27 VanDerWaalsContact C-N 3.35Å; H25-H27 PolarHBondContact O-N 3.42Å
28	S	30.6	Very low	48	Very low	88 Å²	88	119.8 Å²	119.8	62%	0.615	61%	0.612	S	S	*	*			trans	-62.6	167.2	177.3	53.6	0	0	0	0	111.3	L26 H30	L26-S28 PolarHBondContact O-N 3.4Å; L26-S28 VanDerWaalsContact O-N 3.1Å; S28-H30 PolarHBondContact O-N 3.01Å
29	H	35.4	Very low	50.6	Low	180 Å²	180	120.2 Å²	120.2	83%	0.833	61%	0.61	S	S	*	*			trans	-65.7	79.1	168.2	-95	-85.7	0	0	0	110	Q31 K187	H29-Q31 PolarHBondContact O-N 3.47Å; H29-K187 PolarHBondContact NE2-NZ 3.2Å; H29-K187 VanDerWaalsContact NE2-NZ 3.19Å
30	H	38.3	Very low	53.1	Low	162 Å²	162	112.3 Å²	112.3	75%	0.75	58%	0.575	S	S	*	*			trans	-74	106	168.7	-128	24.3	0	0	0	107.3	S28 P32	S28-H30 PolarHBondContact O-N 3.01Å; H30-P32 WeakPolarHBondContact O-CD 3.37Å
31	Q	51.8	Low	56.2	Low	128 Å²	128	107.8 Å²	107.8	60%	0.598	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-55	125.7	159.6	-85.5	-71.1	-10.8	0	0	107.6	H29 G33	H29-Q31 PolarHBondContact O-N 3.47Å; Q31-G33 PolarHBondContact O-N 3.33Å
32	P	58.5	Low	59.2	Low	9 Å²	9	109.4 Å²	109.4	6%	0.058	55%	0.551	C	S	.	*	P	Polyproline II helix	trans	-50.9	136.1	176.6	-31.6	37.4	0	0	0	111.6	H30 R100 V101 E104	H30-P32 WeakPolarHBondContact O-CD 3.37Å; P32-R100 HydrophobicContact CB-CG 3.77Å; P32-R100 WeakPolarHBondContact O-CD 3.3Å; P32-R100 PolarHBondContact O-NH1 3.36Å; P32-V101 HydrophobicContact CG-CG2 4.15Å; P32-E104 WeakPolarHBondContact CB-OE2 3.29Å; P32-E104 WeakPolarHBondContact CG-OE2 3.44Å
33	G	64.9	Low	62.4	Low	58 Å²	58	102 Å²	102	60%	0.598	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-66.7	147.9	177.9	0	0	0	0	0	111.8	Q31 V35 R100	Q31-G33 PolarHBondContact O-N 3.33Å; G33-V35 PolarHBondContact O-N 3.2Å; G33-R100 VanDerWaalsContact O-CG 3.27Å; G33-R100 WeakPolarHBondContact O-CG 3.31Å
34	A	76.4	Confident	65.5	Low	69 Å²	69	95.9 Å²	95.9	57%	0.57	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-55.2	134.4	174	0	0	0	0	0	110.9	D36	A34-D36 PolarHBondContact O-N 2.58Å
35	V	84.8	Confident	68.6	Low	8 Å²	8	95.8 Å²	95.8	5%	0.048	48%	0.484	C	S	.	.			trans	-84.5	102.6	-171.5	-176.4	0	0	0	0	111.4	G33 T39 V40 G94 F99 R100 M103	G33-V35 PolarHBondContact O-N 3.2Å; V35-T39 HydrophobicContact CG1-CG2 4.35Å; V35-V40 HydrophobicContact CG1-CG2 3.71Å; V35-G94 PolarHBondContact N-O 3.2Å; V35-F99 HydrophobicContact CB-CD1 4.19Å; V35-F99 HydrophobicContact CB-CE1 4.06Å; V35-F99 HydrophobicContact CG1-CD1 4.34Å; V35-F99 HydrophobicContact CG1-CE1 3.75Å; V35-F99 HydrophobicContact CG2-CD1 4.3Å; V35-R100 HydrophobicContact CG2-CB 4.29Å; V35-R100 HydrophobicContact CG2-CG 4.19Å; V35-M103 HydrophobicContact CG1-CB 4.25Å; V35-M103 HydrophobicContact CG1-CG 4.12Å; V35-M103 HydrophobicContact CG2-CB 4Å; V35-M103 HydrophobicContact CG2-CG 4.42Å
36	D	85.7	Confident	71.8	Confident	62 Å²	62	89 Å²	89	33%	0.332	45%	0.454	S	S	.	.			trans	-83	162.9	170.7	96.4	-55.8	0	0	0	112.6	A34 K38 T39 V40	A34-D36 PolarHBondContact O-N 2.58Å; D36-K38 VanDerWaalsContact C-N 3.26Å; D36-K38 PolarHBondContact O-N 3Å; D36-K38 WeakPolarHBondContact OD2-CB 3.33Å; D36-K38 WeakPolarHBondContact OD2-CD 3.4Å; D36-K38 WeakPolarHBondContact OD2-CG 3.4Å; D36-K38 PolarHBondContact OD2-N 3.27Å; D36-T39 WeakPolarHBondContact O-CB 3.49Å; D36-T39 PolarHBondContact O-N 3.18Å; D36-T39 VanDerWaalsContact O-N 3.11Å; D36-T39 VanDerWaalsContact OD1-CB 3.26Å; D36-T39 WeakPolarHBondContact OD1-CB 3.44Å; D36-T39 PolarHBondContact OD1-N 3.21Å; D36-T39 PolarHBondContact OD1-OG1 3.27Å; D36-V40 PolarHBondContact O-N 2.99Å
37	K	86.1	Confident	75	Confident	119 Å²	119	81.1 Å²	81.1	52%	0.517	41%	0.412	S	S	.	.	H	α-helix	trans	-58.1	-35.5	178.1	-174.7	173.8	176.1	173.8	0	112.7	T39 V40 E41	K37-T39 VanDerWaalsContact C-N 3.31Å; K37-T39 PolarHBondContact O-N 3Å; K37-V40 PolarHBondContact O-N 3.15Å; K37-E41 WeakPolarHBondContact CE-OE1 3.41Å; K37-E41 WeakPolarHBondContact O-CG 3.47Å; K37-E41 PolarHBondContact O-N 2.87Å
38	K	88.9	Confident	78.1	Confident	157 Å²	157	76.3 Å²	76.3	68%	0.683	39%	0.392	S	S	*	.	H	α-helix	trans	-67.1	-33.4	179.1	-53.9	165.7	-171.6	165.2	0	111.3	D36 E41 K42	D36-K38 VanDerWaalsContact C-N 3.26Å; D36-K38 PolarHBondContact O-N 3Å; D36-K38 WeakPolarHBondContact OD2-CB 3.33Å; D36-K38 WeakPolarHBondContact OD2-CD 3.4Å; D36-K38 WeakPolarHBondContact OD2-CG 3.4Å; D36-K38 PolarHBondContact OD2-N 3.27Å; K38-E41 PolarHBondContact O-N 3.39Å; K38-K42 WeakPolarHBondContact O-CB 3.43Å; K38-K42 PolarHBondContact O-N 3.32Å
39	T	89.6	Confident	81.2	Confident	52 Å²	52	76.8 Å²	76.8	32%	0.319	38%	0.383	S	S	.	.	H	α-helix	trans	-64.1	-41.4	174.2	-65.1	0	0	0	0	111.4	V35 D36 K37 K42 C43	V35-T39 HydrophobicContact CG1-CG2 4.35Å; D36-T39 WeakPolarHBondContact O-CB 3.49Å; D36-T39 PolarHBondContact O-N 3.18Å; D36-T39 VanDerWaalsContact O-N 3.11Å; D36-T39 VanDerWaalsContact OD1-CB 3.26Å; D36-T39 WeakPolarHBondContact OD1-CB 3.44Å; D36-T39 PolarHBondContact OD1-N 3.21Å; D36-T39 PolarHBondContact OD1-OG1 3.27Å; K37-T39 VanDerWaalsContact C-N 3.31Å; K37-T39 PolarHBondContact O-N 3Å; T39-K42 PolarHBondContact O-N 3.02Å; T39-C43 PolarHBondContact O-N 2.98Å
40	V	90.2	Very high	84.2	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-66.8	-45.8	174.9	-168	0	0	0	0	111.4	V35 D36 K37 K42 C43 W44 L83 M103	V35-V40 HydrophobicContact CG1-CG2 3.71Å; D36-V40 PolarHBondContact O-N 2.99Å; K37-V40 PolarHBondContact O-N 3.15Å; V40-K42 VanDerWaalsContact C-N 3.3Å; V40-K42 PolarHBondContact O-N 3.3Å; V40-C43 WeakPolarHBondContact O-CA 3.48Å; V40-C43 VanDerWaalsContact O-CB 3.29Å; V40-C43 WeakPolarHBondContact O-CB 3.43Å; V40-C43 PolarHBondContact O-N 3.44Å; V40-W44 HydrophobicContact CG1-CD2 4.45Å; V40-W44 HydrophobicContact CG1-CZ2 3.89Å; V40-W44 PolarHBondContact O-N 3.13Å; V40-L83 HydrophobicContact CB-CD1 4.41Å; V40-L83 HydrophobicContact CG1-CD1 4.03Å; V40-L83 HydrophobicContact CG2-CD2 4.45Å; V40-M103 HydrophobicContact CB-CE 4.2Å; V40-M103 HydrophobicContact CG1-CE 4.03Å; V40-M103 HydrophobicContact CG2-CE 4.05Å
41	E	90.8	Very high	86.9	Confident	70 Å²	70	61.3 Å²	61.3	33%	0.327	31%	0.313	S	S	.	.	H	α-helix	trans	-61	-35.5	175.2	-71	175	-165.1	0	0	113.3	K37 K38 W44 K45	K37-E41 WeakPolarHBondContact CE-OE1 3.41Å; K37-E41 WeakPolarHBondContact O-CG 3.47Å; K37-E41 PolarHBondContact O-N 2.87Å; K38-E41 PolarHBondContact O-N 3.39Å; E41-W44 HydrophobicContact CB-CE3 4.37Å; E41-W44 HydrophobicContact CG-CE3 3.98Å; E41-W44 HydrophobicContact CG-CZ3 3.91Å; E41-W44 PolarHBondContact O-N 3.16Å; E41-K45 WeakPolarHBondContact O-CG 3.37Å; E41-K45 PolarHBondContact O-N 3.19Å
42	K	93.8	Very high	89	Confident	137 Å²	137	62 Å²	62	60%	0.596	31%	0.31	S	S	*	.	H	α-helix	trans	-67.6	-36	173.5	-176.6	178.4	-175.7	176.2	0	111.5	K38 T39 V40 L46	K38-K42 WeakPolarHBondContact O-CB 3.43Å; K38-K42 PolarHBondContact O-N 3.32Å; T39-K42 PolarHBondContact O-N 3.02Å; V40-K42 VanDerWaalsContact C-N 3.3Å; V40-K42 PolarHBondContact O-N 3.3Å; K42-L46 PolarHBondContact O-N 3.27Å
43	C	94.8	Very high	90.7	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-66.6	-45.2	173.5	-153.8	0	0	0	0	111.2	T39 V40 K45 L46 M47 M103 T107	T39-C43 PolarHBondContact O-N 2.98Å; V40-C43 WeakPolarHBondContact O-CA 3.48Å; V40-C43 VanDerWaalsContact O-CB 3.29Å; V40-C43 WeakPolarHBondContact O-CB 3.43Å; V40-C43 PolarHBondContact O-N 3.44Å; C43-K45 VanDerWaalsContact C-N 3.31Å; C43-K45 PolarHBondContact O-N 3.43Å; C43-L46 WeakPolarHBondContact O-CA 3.2Å; C43-L46 WeakPolarHBondContact O-CB 2.92Å; C43-L46 PolarHBondContact O-N 3.16Å; C43-M47 WeakPolarHBondContact O-CG 3.41Å; C43-M47 PolarHBondContact O-N 3.15Å; C43-M103 HydrophobicContact CB-CE 3.64Å; C43-T107 PolarHBondContact SG-OG1 2.65Å
44	W	94.2	Very high	92.1	Very high	47 Å²	47	61.6 Å²	61.6	18%	0.178	29%	0.294	C	S	.	.	H	α-helix	trans	-55.6	-42.3	175.9	-63	-17.7	0	0	0	112.9	V40 E41 L46 M47 D48 Y76 R80 L83	V40-W44 HydrophobicContact CG1-CD2 4.45Å; V40-W44 HydrophobicContact CG1-CZ2 3.89Å; V40-W44 PolarHBondContact O-N 3.13Å; E41-W44 HydrophobicContact CB-CE3 4.37Å; E41-W44 HydrophobicContact CG-CE3 3.98Å; E41-W44 HydrophobicContact CG-CZ3 3.91Å; E41-W44 PolarHBondContact O-N 3.16Å; W44-L46 PolarHBondContact O-N 3.27Å; W44-M47 PolarHBondContact O-N 3.23Å; W44-D48 PolarHBondContact O-N 2.89Å; W44-Y76 HydrophobicContact CB-CD2 4.12Å; W44-Y76 HydrophobicContact CB-CE2 4.09Å; W44-Y76 AromaticContact CD1-CD2 3.47Å; W44-Y76 VanDerWaalsContact CD1-CD2 3.47Å; W44-Y76 AromaticContact CD1-CE2 3.94Å; W44-Y76 AromaticContact CD2-CD2 3.85Å; W44-Y76 HydrophobicContact CD2-CD2 3.85Å; W44-Y76 AromaticContact CD2-CE2 3.47Å; W44-Y76 HydrophobicContact CD2-CE2 3.47Å; W44-Y76 VanDerWaalsContact CD2-CE2 3.47Å; W44-Y76 AromaticContact CE2-CD2 3.87Å; W44-Y76 AromaticContact CE2-CE2 3.73Å; W44-Y76 AromaticContact CE3-CE2 3.89Å; W44-Y76 HydrophobicContact CE3-CE2 3.89Å; W44-Y76 AromaticContact CG-CD2 3.57Å; W44-Y76 HydrophobicContact CG-CD2 3.57Å; W44-Y76 AromaticContact CG-CE2 3.6Å; W44-Y76 HydrophobicContact CG-CE2 3.6Å; W44-Y76 HydrophobicContact CZ2-CE2 4.34Å; W44-Y76 HydrophobicContact CZ3-CE2 4.49Å; W44-Y76 AromaticContact NE1-CD2 3.62Å; W44-Y76 AromaticContact NE1-CE2 3.98Å; W44-R80 HydrophobicContact CH2-CG 4.08Å; W44-R80 HydrophobicContact CZ2-CG 3.78Å; W44-L83 HydrophobicContact CH2-CD1 3.83Å; W44-L83 HydrophobicContact CZ2-CD1 3.7Å
45	K	95.9	Very high	93	Very high	145 Å²	145	63.8 Å²	63.8	63%	0.63	29%	0.292	S	S	*	.	H	α-helix	trans	-63.6	-24.1	175.4	-70.8	167.4	-177.3	169.1	0	113.5	E41 C43	E41-K45 WeakPolarHBondContact O-CG 3.37Å; E41-K45 PolarHBondContact O-N 3.19Å; C43-K45 VanDerWaalsContact C-N 3.31Å; C43-K45 PolarHBondContact O-N 3.43Å
46	L	96.6	Very high	93.3	Very high	35 Å²	35	65.8 Å²	65.8	18%	0.183	30%	0.303	C	S	.	.	H	α-helix	trans	-82.9	-39.7	172.2	-64.3	167.1	0	0	0	111.5	K42 C43 W44 K49 V50 T107 K111 I114	K42-L46 PolarHBondContact O-N 3.27Å; C43-L46 WeakPolarHBondContact O-CA 3.2Å; C43-L46 WeakPolarHBondContact O-CB 2.92Å; C43-L46 PolarHBondContact O-N 3.16Å; W44-L46 PolarHBondContact O-N 3.27Å; L46-K49 PolarHBondContact O-N 3.44Å; L46-V50 WeakPolarHBondContact O-CG2 3.45Å; L46-V50 PolarHBondContact O-N 3Å; L46-T107 HydrophobicContact CD1-CG2 4.05Å; L46-K111 HydrophobicContact CD1-CG 4.11Å; L46-K111 HydrophobicContact CD2-CG 4.46Å; L46-I114 HydrophobicContact CB-CD1 4.33Å; L46-I114 HydrophobicContact CD2-CD1 3.78Å
47	M	96.9	Very high	93.4	Very high	5 Å²	5	68.5 Å²	68.5	3%	0.025	32%	0.324	C	S	.	.	H	α-helix	trans	-61.5	-50	176.4	-63.8	169	72.3	0	0	111.7	C43 W44 K49 V50 V51 L72 T75 L106 T110	C43-M47 WeakPolarHBondContact O-CG 3.41Å; C43-M47 PolarHBondContact O-N 3.15Å; W44-M47 PolarHBondContact O-N 3.23Å; M47-K49 VanDerWaalsContact C-N 3.27Å; M47-K49 PolarHBondContact O-N 3.12Å; M47-V50 WeakPolarHBondContact O-CB 3.31Å; M47-V50 PolarHBondContact O-N 2.72Å; M47-V51 WeakPolarHBondContact O-CG2 3.44Å; M47-V51 PolarHBondContact O-N 2.92Å; M47-L72 HydrophobicContact CE-CB 4.48Å; M47-L72 HydrophobicContact CE-CD2 4.14Å; M47-L72 WeakPolarHBondContact CE-O 3.37Å; M47-L72 HydrophobicContact CG-CD2 4.44Å; M47-T75 HydrophobicContact CE-CG2 3.84Å; M47-L106 HydrophobicContact SD-CD2 3.95Å; M47-T110 HydrophobicContact CG-CG2 3.77Å
48	D	96.1	Very high	93.6	Very high	71 Å²	71	68.8 Å²	68.8	38%	0.38	33%	0.325	S	S	.	.	H	α-helix	trans	-56.2	-40.6	174.2	156.5	69	0	0	0	111.8	W44 V50 V51 R52	W44-D48 PolarHBondContact O-N 2.89Å; D48-V50 VanDerWaalsContact C-N 3.33Å; D48-V50 PolarHBondContact O-N 2.99Å; D48-V51 PolarHBondContact O-N 3.48Å; D48-R52 VanDerWaalsContact CG-NE 3.33Å; D48-R52 WeakPolarHBondContact O-CG 3.37Å; D48-R52 PolarHBondContact O-N 3.32Å; D48-R52 IonicContact OD1-NE 3.6Å; D48-R52 PolarHBondContact OD1-NE 3.4Å; D48-R52 IonicContact OD2-CZ 3.02Å; D48-R52 VanDerWaalsContact OD2-CZ 3.22Å; D48-R52 IonicContact OD2-NE 3.22Å; D48-R52 PolarHBondContact OD2-NE 3.33Å; D48-R52 IonicContact OD2-NH2 3.64Å; D48-R52 PolarHBondContact OD2-NH2 2.95Å
49	K	96.6	Very high	93.5	Very high	98 Å²	98	61.4 Å²	61.4	43%	0.426	29%	0.293	S	S	.	.	H	α-helix	trans	-64.9	-34.6	175.5	-174.9	166.1	-178.2	165.8	0	112.9	L46 M47 L53 I114	L46-K49 PolarHBondContact O-N 3.44Å; M47-K49 VanDerWaalsContact C-N 3.27Å; M47-K49 PolarHBondContact O-N 3.12Å; K49-L53 WeakPolarHBondContact O-CD1 3.35Å; K49-L53 VanDerWaalsContact O-CG 3.28Å; K49-L53 WeakPolarHBondContact O-CG 3.27Å; K49-L53 PolarHBondContact O-N 3.05Å; K49-I114 HydrophobicContact CB-CD1 4.22Å; K49-I114 HydrophobicContact CD-CD1 4.11Å; K49-I114 HydrophobicContact CG-CD1 4.13Å; K49-I114 HydrophobicContact CG-CG1 4.32Å
50	V	96.9	Very high	93.3	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-69.3	-44.2	172.1	175	0	0	0	0	110.9	L46 M47 D48 R52 L53 C54 I68 L72 T113 I114	L46-V50 WeakPolarHBondContact O-CG2 3.45Å; L46-V50 PolarHBondContact O-N 3Å; M47-V50 WeakPolarHBondContact O-CB 3.31Å; M47-V50 PolarHBondContact O-N 2.72Å; D48-V50 VanDerWaalsContact C-N 3.33Å; D48-V50 PolarHBondContact O-N 2.99Å; V50-R52 PolarHBondContact O-N 2.68Å; V50-L53 PolarHBondContact O-N 2.92Å; V50-C54 WeakPolarHBondContact O-CB 3.44Å; V50-C54 PolarHBondContact O-N 3.1Å; V50-C54 PolarHBondContact O-SG 3.18Å; V50-I68 HydrophobicContact CG1-CD1 4Å; V50-L72 HydrophobicContact CB-CD1 3.82Å; V50-L72 HydrophobicContact CG1-CD1 3.5Å; V50-L72 VanDerWaalsContact CG1-CD1 3.5Å; V50-T113 HydrophobicContact CG1-CG2 3.61Å; V50-T113 HydrophobicContact CG2-CG2 4.13Å; V50-I114 HydrophobicContact CG2-CD1 4.18Å; V50-I114 HydrophobicContact CG2-CG1 3.72Å
51	V	96.4	Very high	93	Very high	18 Å²	18	64.1 Å²	64.1	11%	0.109	32%	0.315	C	S	.	.	H	α-helix	trans	-56	-50.2	176.1	169.5	0	0	0	0	110.4	M47 D48 L53 C54 Q55 L69 L72	M47-V51 WeakPolarHBondContact O-CG2 3.44Å; M47-V51 PolarHBondContact O-N 2.92Å; D48-V51 PolarHBondContact O-N 3.48Å; V51-L53 VanDerWaalsContact C-N 3.3Å; V51-L53 PolarHBondContact O-N 3.25Å; V51-C54 CarbonylContact O-C 3.28Å; V51-C54 PolarHBondContact O-N 3Å; V51-Q55 HydrophobicContact CG1-CG 4.21Å; V51-Q55 WeakPolarHBondContact O-CB 3.21Å; V51-Q55 VanDerWaalsContact O-CG 3.31Å; V51-Q55 WeakPolarHBondContact O-CG 3.48Å; V51-Q55 PolarHBondContact O-N 3.02Å; V51-L69 HydrophobicContact CG1-CD2 4.04Å; V51-L72 HydrophobicContact CG2-CB 3.71Å; V51-L72 HydrophobicContact CG2-CD1 3.84Å; V51-L72 HydrophobicContact CG2-CG 4.44Å
52	R	95.5	Very high	92.6	Very high	143 Å²	143	66 Å²	66	54%	0.54	32%	0.322	S	S	.	.	H	α-helix	trans	-64.1	-29	178.7	-71.2	-175.2	-73.1	127.4	-7.7	114.2	D48 V50	D48-R52 VanDerWaalsContact CG-NE 3.33Å; D48-R52 WeakPolarHBondContact O-CG 3.37Å; D48-R52 PolarHBondContact O-N 3.32Å; D48-R52 IonicContact OD1-NE 3.6Å; D48-R52 PolarHBondContact OD1-NE 3.4Å; D48-R52 IonicContact OD2-CZ 3.02Å; D48-R52 VanDerWaalsContact OD2-CZ 3.22Å; D48-R52 IonicContact OD2-NE 3.22Å; D48-R52 PolarHBondContact OD2-NE 3.33Å; D48-R52 IonicContact OD2-NH2 3.64Å; D48-R52 PolarHBondContact OD2-NH2 2.95Å; V50-R52 PolarHBondContact O-N 2.68Å
53	L	94.6	Very high	92	Very high	54 Å²	54	65.4 Å²	65.4	28%	0.283	33%	0.325	S	S	.	.	H	α-helix	trans	-71.7	-41.8	170.5	-73.1	165.3	0	0	0	111.5	K49 V50 V51 N56 L59 I114 F117	K49-L53 WeakPolarHBondContact O-CD1 3.35Å; K49-L53 VanDerWaalsContact O-CG 3.28Å; K49-L53 WeakPolarHBondContact O-CG 3.27Å; K49-L53 PolarHBondContact O-N 3.05Å; V50-L53 PolarHBondContact O-N 2.92Å; V51-L53 VanDerWaalsContact C-N 3.3Å; V51-L53 PolarHBondContact O-N 3.25Å; L53-N56 WeakPolarHBondContact O-CB 3.42Å; L53-N56 PolarHBondContact O-N 3.1Å; L53-L59 VanDerWaalsContact O-CD1 3.27Å; L53-L59 WeakPolarHBondContact O-CD1 3.49Å; L53-I114 HydrophobicContact CD1-CG1 4.28Å; L53-F117 HydrophobicContact CB-CD1 4.23Å; L53-F117 HydrophobicContact CB-CD2 3.93Å; L53-F117 HydrophobicContact CB-CE1 4.23Å; L53-F117 HydrophobicContact CB-CE2 3.93Å; L53-F117 HydrophobicContact CB-CG 4.09Å; L53-F117 HydrophobicContact CB-CZ 4.08Å; L53-F117 HydrophobicContact CD1-CB 4.02Å; L53-F117 HydrophobicContact CD1-CD2 3.97Å; L53-F117 HydrophobicContact CD1-CG 4.05Å; L53-F117 HydrophobicContact CD2-CB 4.3Å; L53-F117 HydrophobicContact CD2-CD1 4.39Å; L53-F117 HydrophobicContact CD2-CG 4.29Å; L53-F117 HydrophobicContact CG-CD2 4.46Å; L53-F117 HydrophobicContact CG-CG 4.38Å
54	C	94.1	Very high	91.3	Very high	3 Å²	3	67 Å²	67	2%	0.02	34%	0.337	C	S	.	.	H	α-helix	trans	-74.1	-23.5	-179.3	-64.9	0	0	0	0	113.7	V50 V51 N56 L59 L61 I68 L69	V50-C54 WeakPolarHBondContact O-CB 3.44Å; V50-C54 PolarHBondContact O-N 3.1Å; V50-C54 PolarHBondContact O-SG 3.18Å; V51-C54 CarbonylContact O-C 3.28Å; V51-C54 PolarHBondContact O-N 3Å; C54-N56 PolarHBondContact O-N 3.03Å; C54-L59 WeakPolarHBondContact O-CD1 3.34Å; C54-L61 HydrophobicContact CB-CD1 3.86Å; C54-L61 WeakPolarHBondContact O-CD1 3.42Å; C54-I68 HydrophobicContact CB-CG2 3.96Å; C54-L69 HydrophobicContact CB-CD2 3.55Å; C54-L69 HydrophobicContact CB-CG 4.16Å
55	Q	94.2	Very high	90.8	Very high	116 Å²	116	67.9 Å²	67.9	54%	0.542	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-8	174.7	-79.3	172.3	-21.9	0	0	114.1	V51 P57 L69	V51-Q55 HydrophobicContact CG1-CG 4.21Å; V51-Q55 WeakPolarHBondContact O-CB 3.21Å; V51-Q55 VanDerWaalsContact O-CG 3.31Å; V51-Q55 WeakPolarHBondContact O-CG 3.48Å; V51-Q55 PolarHBondContact O-N 3.02Å; Q55-P57 VanDerWaalsContact O-CD 3.29Å; Q55-P57 WeakPolarHBondContact O-CD 3.39Å; Q55-L69 HydrophobicContact CG-CD1 4.28Å; Q55-L69 HydrophobicContact CG-CD2 3.79Å
56	N	90.9	Very high	90.2	Very high	50 Å²	50	61.5 Å²	61.5	27%	0.267	32%	0.322	S	S	.	.			trans	-61.2	118.5	-179.6	-177.7	-18.4	0	0	0	111	L53 C54 K58 L59 Y125	L53-N56 WeakPolarHBondContact O-CB 3.42Å; L53-N56 PolarHBondContact O-N 3.1Å; C54-N56 PolarHBondContact O-N 3.03Å; N56-K58 PolarHBondContact O-N 3.39Å; N56-K58 WeakPolarHBondContact OD1-CB 3.4Å; N56-K58 PolarHBondContact OD1-N 2.99Å; N56-L59 HydrophobicContact CB-CD1 4.14Å; N56-L59 HydrophobicContact CB-CG 4.37Å; N56-L59 WeakPolarHBondContact O-CB 3.4Å; N56-L59 PolarHBondContact O-N 3.24Å; N56-Y125 WeakPolarHBondContact ND2-CE1 3.37Å; N56-Y125 PolarHBondContact ND2-OH 3.05Å
57	P	89.5	Confident	89.9	Confident	119 Å²	119	61.8 Å²	61.8	77%	0.773	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-56.4	-29	-176.8	-28	36.3	0	0	0	114.4	Q55 L59 A60	Q55-P57 VanDerWaalsContact O-CD 3.29Å; Q55-P57 WeakPolarHBondContact O-CD 3.39Å; P57-L59 PolarHBondContact O-N 2.95Å; P57-L59 VanDerWaalsContact O-N 3.13Å; P57-A60 PolarHBondContact O-N 3.02Å; P57-A60 VanDerWaalsContact O-N 3.08Å
58	K	88.6	Confident	89.8	Confident	124 Å²	124	61.7 Å²	61.7	54%	0.539	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-59	-21.8	175.1	-71.4	-173.5	169.4	-172.9	0	113.6	N56 E122 Y125	N56-K58 PolarHBondContact O-N 3.39Å; N56-K58 WeakPolarHBondContact OD1-CB 3.4Å; N56-K58 PolarHBondContact OD1-N 2.99Å; K58-E122 IonicContact NZ-OE2 2.72Å; K58-E122 PolarHBondContact NZ-OE2 2.91Å; K58-Y125 HydrophobicContact CB-CD1 3.42Å; K58-Y125 VanDerWaalsContact CB-CD1 3.42Å; K58-Y125 HydrophobicContact CB-CD2 4.25Å; K58-Y125 HydrophobicContact CB-CE1 3.76Å; K58-Y125 HydrophobicContact CB-CG 3.73Å; K58-Y125 HydrophobicContact CD-CD1 4.35Å; K58-Y125 HydrophobicContact CD-CD2 3.81Å; K58-Y125 HydrophobicContact CD-CE1 4.28Å; K58-Y125 HydrophobicContact CD-CE2 3.72Å; K58-Y125 HydrophobicContact CD-CG 4.15Å
59	L	86.6	Confident	89.6	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.016	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-73.8	-31.5	177.1	-69	166.6	0	0	0	112.3	L53 C54 N56 P57 L61 F117 M124 Y125 R132	L53-L59 VanDerWaalsContact O-CD1 3.27Å; L53-L59 WeakPolarHBondContact O-CD1 3.49Å; C54-L59 WeakPolarHBondContact O-CD1 3.34Å; N56-L59 HydrophobicContact CB-CD1 4.14Å; N56-L59 HydrophobicContact CB-CG 4.37Å; N56-L59 WeakPolarHBondContact O-CB 3.4Å; N56-L59 PolarHBondContact O-N 3.24Å; P57-L59 PolarHBondContact O-N 2.95Å; P57-L59 VanDerWaalsContact O-N 3.13Å; L59-L61 VanDerWaalsContact C-N 3.32Å; L59-L61 HydrophobicContact CB-CD2 4.15Å; L59-L61 HydrophobicContact CB-CG 4.01Å; L59-L61 PolarHBondContact O-N 3.38Å; L59-F117 HydrophobicContact CD1-CE1 3.91Å; L59-F117 HydrophobicContact CD1-CZ 3.96Å; L59-F117 HydrophobicContact CD2-CE1 4.11Å; L59-M124 HydrophobicContact CD2-CB 4.05Å; L59-M124 WeakPolarHBondContact CD2-O 3.38Å; L59-Y125 HydrophobicContact CD2-CD1 3.71Å; L59-Y125 HydrophobicContact CD2-CE1 4.02Å; L59-Y125 HydrophobicContact CG-CD1 3.94Å; L59-Y125 HydrophobicContact CG-CE1 4.06Å; L59-R132 PolarHBondContact O-NH1 3.23Å; L59-R132 PolarHBondContact O-NH2 3.24Å
60	A	85.6	Confident	89.5	Confident	70 Å²	70	59.8 Å²	59.8	58%	0.579	32%	0.315	S	S	*	.			trans	44.5	55.7	-171.3	0	0	0	0	0	112.2	P57 K62	P57-A60 PolarHBondContact O-N 3.02Å; P57-A60 VanDerWaalsContact O-N 3.08Å; A60-K62 PolarHBondContact O-N 3.35Å
61	L	84.9	Confident	89.5	Confident	39 Å²	39	60.7 Å²	60.7	20%	0.204	32%	0.32	C	S	.	.			trans	-65.5	124.2	174.8	-62.2	-175.8	0	0	0	109.1	C54 L59 Y67 I68 L69	C54-L61 HydrophobicContact CB-CD1 3.86Å; C54-L61 WeakPolarHBondContact O-CD1 3.42Å; L59-L61 VanDerWaalsContact C-N 3.32Å; L59-L61 HydrophobicContact CB-CD2 4.15Å; L59-L61 HydrophobicContact CB-CG 4.01Å; L59-L61 PolarHBondContact O-N 3.38Å; L61-Y67 HydrophobicContact CB-CE2 4.13Å; L61-I68 HydrophobicContact CD1-CG2 3.93Å; L61-L69 HydrophobicContact CD1-CD1 4.27Å; L61-L69 HydrophobicContact CD1-CG 4.37Å
62	K	81.5	Confident	89.5	Confident	108 Å²	108	60 Å²	60	47%	0.47	32%	0.315	S	S	.	.			trans	-76.1	142.9	175	-68.1	161.3	179	159.5	0	109.1	A60 S64 Y67 E127	A60-K62 PolarHBondContact O-N 3.35Å; K62-S64 PolarHBondContact O-N 3.28Å; K62-Y67 VanDerWaalsContact O-CD2 3.22Å; K62-Y67 WeakPolarHBondContact O-CD2 3.45Å; K62-E127 IonicContact NZ-OE1 3.8Å; K62-E127 PolarHBondContact NZ-OE1 3.35Å; K62-E127 IonicContact NZ-OE2 2.68Å
63	N	82.2	Confident	89.5	Confident	125 Å²	125	56 Å²	56	67%	0.668	31%	0.308	S	S	*	.	S	Bend	trans	-75.4	37.6	178.4	-58.7	19.2	0	0	0	112.4	Y67	N63-Y67 PolarHBondContact OD1-OH 3.39Å
64	S	78.8	Confident	89.6	Confident	35 Å²	35	57 Å²	57	25%	0.245	31%	0.313	C	S	.	.			trans	-99.9	131.2	-178.1	-59.5	0	0	0	0	109.4	K62 P66 Y67 D259	K62-S64 PolarHBondContact O-N 3.28Å; S64-P66 CarbonylContact O-C 3.54Å; S64-Y67 PolarHBondContact O-N 2.92Å; S64-D259 VanDerWaalsContact CB-OD2 3.23Å; S64-D259 WeakPolarHBondContact CB-OD2 3.44Å; S64-D259 PolarHBondContact OG-OD2 3.18Å
65	P	83.5	Confident	89.8	Confident	64 Å²	64	56.9 Å²	56.9	42%	0.416	31%	0.312	S	S	.	.	S	Bend	trans	-59.3	129.8	177.9	-27.8	36.3	0	0	0	113	C281 T282	P65-C281 PolarHBondContact O-SG 3.25Å; P65-C281 VanDerWaalsContact O-SG 3.38Å; P65-T282 HydrophobicContact CB-CG2 3.63Å; P65-T282 HydrophobicContact CG-CG2 3.8Å
66	P	84.8	Confident	89.9	Confident	12 Å²	12	55.2 Å²	55.2	8%	0.078	30%	0.302	C	S	.	.	S	Bend	cis	-88	115.8	7.1	35.5	-34.1	0	0	0	113.3	S64 I68 L71 S139 L140	S64-P66 CarbonylContact O-C 3.54Å; P66-I68 PolarHBondContact O-N 3.45Å; P66-L71 HydrophobicContact CB-CD1 3.7Å; P66-S139 WeakPolarHBondContact CB-O 3.47Å; P66-L140 HydrophobicContact CB-CD2 4.46Å; P66-L140 HydrophobicContact CG-CB 4.42Å; P66-L140 HydrophobicContact CG-CD2 3.68Å; P66-L140 HydrophobicContact CG-CG 3.78Å
67	Y	90.7	Very high	90.1	Very high	41 Å²	41	57.5 Å²	57.5	16%	0.161	31%	0.311	C	S	.	.			trans	-95.2	99.2	179.1	-175.9	-122.7	0	0	0	110.3	L61 K62 N63 S64 L69 D70 L71	L61-Y67 HydrophobicContact CB-CE2 4.13Å; K62-Y67 VanDerWaalsContact O-CD2 3.22Å; K62-Y67 WeakPolarHBondContact O-CD2 3.45Å; N63-Y67 PolarHBondContact OD1-OH 3.39Å; S64-Y67 PolarHBondContact O-N 2.92Å; Y67-L69 HydrophobicContact CD1-CB 4.3Å; Y67-L69 HydrophobicContact CE1-CB 3.78Å; Y67-L69 HydrophobicContact CE2-CB 4.25Å; Y67-L69 HydrophobicContact CE2-CD1 4.19Å; Y67-L69 HydrophobicContact CE2-CG 4.48Å; Y67-L69 PolarHBondContact O-N 3.29Å; Y67-D70 HydrophobicContact CD1-CB 4.11Å; Y67-D70 VanDerWaalsContact CD1-CG 3.45Å; Y67-D70 WeakPolarHBondContact CD1-OD2 3.47Å; Y67-D70 WeakPolarHBondContact CE1-OD1 3.39Å; Y67-D70 PolarHBondContact O-N 3Å; Y67-L71 WeakPolarHBondContact O-CG 3.28Å; Y67-L71 PolarHBondContact O-N 2.91Å; Y67-L71 VanDerWaalsContact O-N 3.16Å
68	I	93.1	Very high	90.5	Very high	3 Å²	3	53 Å²	53	2%	0.015	28%	0.279	C	S	.	.	H	α-helix	trans	-56.2	-26	-172.1	-166.7	167.5	0	0	0	114.5	V50 C54 L61 P66 D70 L72 L135 F142	V50-I68 HydrophobicContact CG1-CD1 4Å; C54-I68 HydrophobicContact CB-CG2 3.96Å; L61-I68 HydrophobicContact CD1-CG2 3.93Å; P66-I68 PolarHBondContact O-N 3.45Å; I68-D70 VanDerWaalsContact C-N 3.34Å; I68-L72 HydrophobicContact CD1-CD1 4.26Å; I68-L72 HydrophobicContact CG1-CD1 3.82Å; I68-L72 HydrophobicContact CG1-CG 4.08Å; I68-L72 PolarHBondContact O-N 2.85Å; I68-L135 HydrophobicContact CD1-CD1 4.27Å; I68-F142 HydrophobicContact CD1-CD2 3.77Å; I68-F142 HydrophobicContact CD1-CE2 3.89Å; I68-F142 HydrophobicContact CG1-CD2 4.2Å
69	L	93.8	Very high	90.8	Very high	26 Å²	26	47.1 Å²	47.1	14%	0.136	25%	0.254	C	S	.	.	H	α-helix	trans	-74.5	-20.9	179.7	-68	179.5	0	0	0	113.8	V51 C54 Q55 L61 Y67 P73	V51-L69 HydrophobicContact CG1-CD2 4.04Å; C54-L69 HydrophobicContact CB-CD2 3.55Å; C54-L69 HydrophobicContact CB-CG 4.16Å; Q55-L69 HydrophobicContact CG-CD1 4.28Å; Q55-L69 HydrophobicContact CG-CD2 3.79Å; L61-L69 HydrophobicContact CD1-CD1 4.27Å; L61-L69 HydrophobicContact CD1-CG 4.37Å; Y67-L69 HydrophobicContact CD1-CB 4.3Å; Y67-L69 HydrophobicContact CE1-CB 3.78Å; Y67-L69 HydrophobicContact CE2-CB 4.25Å; Y67-L69 HydrophobicContact CE2-CD1 4.19Å; Y67-L69 HydrophobicContact CE2-CG 4.48Å; Y67-L69 PolarHBondContact O-N 3.29Å; L69-P73 WeakPolarHBondContact O-CD 3.18Å; L69-P73 VanDerWaalsContact O-CG 3.23Å; L69-P73 WeakPolarHBondContact O-CG 3.23Å
70	D	94.5	Very high	91.3	Very high	102 Å²	102	52.5 Å²	52.5	55%	0.545	27%	0.274	S	S	.	.	H	α-helix	trans	-91.8	-43.2	167.6	-66.4	-6.6	0	0	0	110.3	Y67 I68 L72 P73 D74	Y67-D70 HydrophobicContact CD1-CB 4.11Å; Y67-D70 VanDerWaalsContact CD1-CG 3.45Å; Y67-D70 WeakPolarHBondContact CD1-OD2 3.47Å; Y67-D70 WeakPolarHBondContact CE1-OD1 3.39Å; Y67-D70 PolarHBondContact O-N 3Å; I68-D70 VanDerWaalsContact C-N 3.34Å; D70-L72 VanDerWaalsContact C-N 3.33Å; D70-L72 PolarHBondContact O-N 3.41Å; D70-P73 VanDerWaalsContact O-CD 3.29Å; D70-P73 WeakPolarHBondContact O-CD 3.29Å; D70-D74 WeakPolarHBondContact O-CB 3.4Å; D70-D74 PolarHBondContact O-N 2.94Å
71	L	95.8	Very high	91.8	Very high	20 Å²	20	51.5 Å²	51.5	11%	0.105	26%	0.261	C	S	.	.	H	α-helix	trans	-58	-38.7	-174.2	-67.7	172.1	0	0	0	113.8	P66 Y67 T75 L146	P66-L71 HydrophobicContact CB-CD1 3.7Å; Y67-L71 WeakPolarHBondContact O-CG 3.28Å; Y67-L71 PolarHBondContact O-N 2.91Å; Y67-L71 VanDerWaalsContact O-N 3.16Å; L71-T75 WeakPolarHBondContact O-CB 3.41Å; L71-T75 PolarHBondContact O-N 3.05Å; L71-T75 PolarHBondContact O-OG1 3.24Å; L71-L146 HydrophobicContact CD2-CD2 3.63Å
72	L	96.4	Very high	92.3	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-73.5	-47.5	-179.9	-70	175.6	0	0	0	112.6	M47 V50 V51 I68 D70 D74 T75 Y76 F142	M47-L72 HydrophobicContact CE-CB 4.48Å; M47-L72 HydrophobicContact CE-CD2 4.14Å; M47-L72 WeakPolarHBondContact CE-O 3.37Å; M47-L72 HydrophobicContact CG-CD2 4.44Å; V50-L72 HydrophobicContact CB-CD1 3.82Å; V50-L72 HydrophobicContact CG1-CD1 3.5Å; V50-L72 VanDerWaalsContact CG1-CD1 3.5Å; V51-L72 HydrophobicContact CG2-CB 3.71Å; V51-L72 HydrophobicContact CG2-CD1 3.84Å; V51-L72 HydrophobicContact CG2-CG 4.44Å; I68-L72 HydrophobicContact CD1-CD1 4.26Å; I68-L72 HydrophobicContact CG1-CD1 3.82Å; I68-L72 HydrophobicContact CG1-CG 4.08Å; I68-L72 PolarHBondContact O-N 2.85Å; D70-L72 VanDerWaalsContact C-N 3.33Å; D70-L72 PolarHBondContact O-N 3.41Å; L72-D74 VanDerWaalsContact C-N 3.32Å; L72-D74 PolarHBondContact O-N 3.46Å; L72-T75 PolarHBondContact O-N 3.34Å; L72-Y76 WeakPolarHBondContact O-CB 3.44Å; L72-Y76 PolarHBondContact O-N 3.36Å; L72-F142 HydrophobicContact CD2-CD1 3.94Å; L72-F142 HydrophobicContact CD2-CD2 4.47Å; L72-F142 HydrophobicContact CD2-CE1 4Å; L72-F142 HydrophobicContact CD2-CG 4.19Å; L72-F142 HydrophobicContact CD2-CZ 4.31Å
73	P	96.3	Very high	92.9	Very high	60 Å²	60	45.6 Å²	45.6	39%	0.39	23%	0.234	S	C	.	.	H	α-helix	trans	-54.8	-41.6	167	-31.1	38	0	0	0	114.2	L69 D70 Y76 Q77	L69-P73 WeakPolarHBondContact O-CD 3.18Å; L69-P73 VanDerWaalsContact O-CG 3.23Å; L69-P73 WeakPolarHBondContact O-CG 3.23Å; D70-P73 VanDerWaalsContact O-CD 3.29Å; D70-P73 WeakPolarHBondContact O-CD 3.29Å; P73-Y76 WeakPolarHBondContact O-CB 3.14Å; P73-Y76 PolarHBondContact O-N 2.83Å; P73-Q77 WeakPolarHBondContact O-CB 3.39Å; P73-Q77 PolarHBondContact O-N 3.47Å
74	D	96.4	Very high	93.4	Very high	74 Å²	74	43.3 Å²	43.3	40%	0.396	23%	0.228	S	C	.	.	H	α-helix	trans	-62.5	-44.4	176.8	-116.6	39.3	0	0	0	111.9	D70 L72 Q77 H78 L146 K150	D70-D74 WeakPolarHBondContact O-CB 3.4Å; D70-D74 PolarHBondContact O-N 2.94Å; L72-D74 VanDerWaalsContact C-N 3.32Å; L72-D74 PolarHBondContact O-N 3.46Å; D74-Q77 PolarHBondContact O-N 3Å; D74-H78 WeakPolarHBondContact O-CB 3.14Å; D74-H78 PolarHBondContact O-N 3.03Å; D74-L146 HydrophobicContact CB-CD1 4.3Å; D74-L146 HydrophobicContact CB-CD2 3.67Å; D74-K150 IonicContact OD2-NZ 3.84Å; D74-K150 PolarHBondContact OD2-NZ 2.94Å
75	T	97.4	Very high	94.2	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-62.2	-44	175.4	-54.7	0	0	0	0	110.8	M47 L71 L72 L79 F102 L106	M47-T75 HydrophobicContact CE-CG2 3.84Å; L71-T75 WeakPolarHBondContact O-CB 3.41Å; L71-T75 PolarHBondContact O-N 3.05Å; L71-T75 PolarHBondContact O-OG1 3.24Å; L72-T75 PolarHBondContact O-N 3.34Å; T75-L79 HydrophobicContact CG2-CD1 4.18Å; T75-L79 WeakPolarHBondContact O-CB 3.29Å; T75-L79 VanDerWaalsContact O-CG 3.28Å; T75-L79 WeakPolarHBondContact O-CG 3.46Å; T75-L79 PolarHBondContact O-N 2.66Å; T75-F102 HydrophobicContact CG2-CZ 4.43Å; T75-L106 HydrophobicContact CG2-CD1 4.27Å; T75-L106 HydrophobicContact CG2-CD2 4.07Å
76	Y	95.9	Very high	94.7	Very high	82 Å²	82	47.1 Å²	47.1	32%	0.322	23%	0.229	S	C	.	.	H	α-helix	trans	-60.6	-47.2	176.6	167.7	-92.5	0	0	0	111.6	W44 L72 P73 L79 R80	W44-Y76 HydrophobicContact CB-CD2 4.12Å; W44-Y76 HydrophobicContact CB-CE2 4.09Å; W44-Y76 AromaticContact CD1-CD2 3.47Å; W44-Y76 VanDerWaalsContact CD1-CD2 3.47Å; W44-Y76 AromaticContact CD1-CE2 3.94Å; W44-Y76 AromaticContact CD2-CD2 3.85Å; W44-Y76 HydrophobicContact CD2-CD2 3.85Å; W44-Y76 AromaticContact CD2-CE2 3.47Å; W44-Y76 HydrophobicContact CD2-CE2 3.47Å; W44-Y76 VanDerWaalsContact CD2-CE2 3.47Å; W44-Y76 AromaticContact CE2-CD2 3.87Å; W44-Y76 AromaticContact CE2-CE2 3.73Å; W44-Y76 AromaticContact CE3-CE2 3.89Å; W44-Y76 HydrophobicContact CE3-CE2 3.89Å; W44-Y76 AromaticContact CG-CD2 3.57Å; W44-Y76 HydrophobicContact CG-CD2 3.57Å; W44-Y76 AromaticContact CG-CE2 3.6Å; W44-Y76 HydrophobicContact CG-CE2 3.6Å; W44-Y76 HydrophobicContact CZ2-CE2 4.34Å; W44-Y76 HydrophobicContact CZ3-CE2 4.49Å; W44-Y76 AromaticContact NE1-CD2 3.62Å; W44-Y76 AromaticContact NE1-CE2 3.98Å; L72-Y76 WeakPolarHBondContact O-CB 3.44Å; L72-Y76 PolarHBondContact O-N 3.36Å; P73-Y76 WeakPolarHBondContact O-CB 3.14Å; P73-Y76 PolarHBondContact O-N 2.83Å; Y76-L79 PolarHBondContact O-N 2.82Å; Y76-R80 VanDerWaalsContact CE1-CD 3.44Å; Y76-R80 HydrophobicContact CE1-CG 4.36Å; Y76-R80 WeakPolarHBondContact O-CG 3.26Å; Y76-R80 PolarHBondContact O-N 3.06Å
77	Q	96.6	Very high	95	Very high	97 Å²	97	53.6 Å²	53.6	45%	0.453	26%	0.258	S	S	.	.	H	α-helix	trans	-69.4	-38.3	-178.1	-176.5	58.5	18.5	0	0	111.8	P73 D74 R80 T81	P73-Q77 WeakPolarHBondContact O-CB 3.39Å; P73-Q77 PolarHBondContact O-N 3.47Å; D74-Q77 PolarHBondContact O-N 3Å; Q77-R80 WeakPolarHBondContact O-CB 3.32Å; Q77-R80 PolarHBondContact O-N 3.26Å; Q77-T81 PolarHBondContact O-N 2.84Å; Q77-T81 PolarHBondContact O-OG1 2.9Å
78	H	97.2	Very high	94.9	Very high	24 Å²	24	55.6 Å²	55.6	11%	0.111	29%	0.291	C	S	.	.	H	α-helix	trans	-68	-39.6	175.2	-167.4	83.9	0	0	0	112.1	D74 R80 T81 I82 F153	D74-H78 WeakPolarHBondContact O-CB 3.14Å; D74-H78 PolarHBondContact O-N 3.03Å; H78-R80 VanDerWaalsContact C-N 3.29Å; H78-R80 PolarHBondContact O-N 3.43Å; H78-T81 WeakPolarHBondContact O-CB 3.31Å; H78-T81 PolarHBondContact O-N 2.94Å; H78-T81 VanDerWaalsContact O-N 3.1Å; H78-I82 WeakPolarHBondContact O-CG1 3.1Å; H78-I82 PolarHBondContact O-N 3.11Å; H78-F153 PolarHBondContact CE1-O 2.76Å; H78-F153 PolarHBondContact NE2-O 3.45Å; H78-F153 VanDerWaalsContact NE2-O 3.13Å
79	L	96.1	Very high	94.9	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-59.7	-36.9	170.2	-76	172.2	0	0	0	112.4	T75 Y76 I82 L83 F99 F102 M103 L106 L149	T75-L79 HydrophobicContact CG2-CD1 4.18Å; T75-L79 WeakPolarHBondContact O-CB 3.29Å; T75-L79 VanDerWaalsContact O-CG 3.28Å; T75-L79 WeakPolarHBondContact O-CG 3.46Å; T75-L79 PolarHBondContact O-N 2.66Å; Y76-L79 PolarHBondContact O-N 2.82Å; L79-I82 HydrophobicContact CD2-CD1 4.39Å; L79-I82 PolarHBondContact O-N 3.03Å; L79-L83 WeakPolarHBondContact O-CG 3.48Å; L79-L83 PolarHBondContact O-N 3.28Å; L79-F99 HydrophobicContact CD2-CE2 3.76Å; L79-F99 HydrophobicContact CD2-CZ 4.3Å; L79-F102 HydrophobicContact CD2-CE1 4.22Å; L79-M103 HydrophobicContact CD1-SD 4.01Å; L79-M103 HydrophobicContact CD2-SD 3.74Å; L79-L106 HydrophobicContact CD1-CD2 3.71Å; L79-L149 HydrophobicContact CD2-CD2 3.97Å; L79-L149 HydrophobicContact CG-CD2 4.09Å
80	R	95.1	Very high	94.7	Very high	117 Å²	117	63.2 Å²	63.2	44%	0.442	33%	0.325	S	S	.	.	H	α-helix	trans	-64.9	-38.6	172.1	-74.2	-178.8	68.3	-166.6	7.8	112.6	W44 Y76 Q77 H78 L83 S84	W44-R80 HydrophobicContact CH2-CG 4.08Å; W44-R80 HydrophobicContact CZ2-CG 3.78Å; Y76-R80 VanDerWaalsContact CE1-CD 3.44Å; Y76-R80 HydrophobicContact CE1-CG 4.36Å; Y76-R80 WeakPolarHBondContact O-CG 3.26Å; Y76-R80 PolarHBondContact O-N 3.06Å; Q77-R80 WeakPolarHBondContact O-CB 3.32Å; Q77-R80 PolarHBondContact O-N 3.26Å; H78-R80 VanDerWaalsContact C-N 3.29Å; H78-R80 PolarHBondContact O-N 3.43Å; R80-L83 PolarHBondContact O-N 3.31Å; R80-S84 WeakPolarHBondContact O-CB 3.48Å; R80-S84 PolarHBondContact O-N 2.93Å
81	T	96.3	Very high	94.4	Very high	48 Å²	48	66 Å²	66	29%	0.294	34%	0.335	S	S	.	.	H	α-helix	trans	-61.4	-44.9	173.8	-51.9	0	0	0	0	111	Q77 H78 S84 R85	Q77-T81 PolarHBondContact O-N 2.84Å; Q77-T81 PolarHBondContact O-OG1 2.9Å; H78-T81 WeakPolarHBondContact O-CB 3.31Å; H78-T81 PolarHBondContact O-N 2.94Å; H78-T81 VanDerWaalsContact O-N 3.1Å; T81-S84 PolarHBondContact O-N 3.46Å; T81-R85 WeakPolarHBondContact O-CG 3.48Å; T81-R85 PolarHBondContact O-N 3.21Å
82	I	95.9	Very high	94.2	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-58.6	-54.2	174.5	-63.3	165.7	0	0	0	110.5	H78 L79 S84 R85 Y86 L93 F99 L149 F153	H78-I82 WeakPolarHBondContact O-CG1 3.1Å; H78-I82 PolarHBondContact O-N 3.11Å; L79-I82 HydrophobicContact CD2-CD1 4.39Å; L79-I82 PolarHBondContact O-N 3.03Å; I82-S84 PolarHBondContact O-N 3.3Å; I82-S84 VanDerWaalsContact O-N 3.15Å; I82-R85 PolarHBondContact O-N 3.17Å; I82-Y86 HydrophobicContact CG2-CD2 4.02Å; I82-Y86 HydrophobicContact CG2-CE2 4.4Å; I82-Y86 WeakPolarHBondContact O-CD2 3.17Å; I82-Y86 PolarHBondContact O-N 3.32Å; I82-L93 HydrophobicContact CG2-CD1 3.81Å; I82-L93 HydrophobicContact CG2-CD2 3.81Å; I82-F99 HydrophobicContact CD1-CE2 4.45Å; I82-F99 HydrophobicContact CG2-CE2 4.13Å; I82-L149 HydrophobicContact CD1-CD1 3.81Å; I82-L149 HydrophobicContact CD1-CD2 4.23Å; I82-L149 HydrophobicContact CD1-CG 4.06Å; I82-F153 HydrophobicContact CD1-CB 3.62Å; I82-F153 HydrophobicContact CD1-CD1 4Å; I82-F153 HydrophobicContact CD1-CD2 3.94Å; I82-F153 HydrophobicContact CD1-CG 3.61Å; I82-F153 HydrophobicContact CG1-CB 3.82Å; I82-F153 HydrophobicContact CG1-CD1 3.86Å; I82-F153 HydrophobicContact CG1-CG 3.91Å; I82-F153 HydrophobicContact CG2-CD1 3.92Å; I82-F153 HydrophobicContact CG2-CE1 3.84Å; I82-F153 HydrophobicContact CG2-CZ 4.45Å
83	L	93.5	Very high	94	Very high	23 Å²	23	69.6 Å²	69.6	12%	0.12	36%	0.358	C	S	.	.	H	α-helix	trans	-57.4	-32.6	179.4	-71.4	-177.8	0	0	0	113.5	V40 W44 L79 R80 Y86 E87 M90 L93	V40-L83 HydrophobicContact CB-CD1 4.41Å; V40-L83 HydrophobicContact CG1-CD1 4.03Å; V40-L83 HydrophobicContact CG2-CD2 4.45Å; W44-L83 HydrophobicContact CH2-CD1 3.83Å; W44-L83 HydrophobicContact CZ2-CD1 3.7Å; L79-L83 WeakPolarHBondContact O-CG 3.48Å; L79-L83 PolarHBondContact O-N 3.28Å; R80-L83 PolarHBondContact O-N 3.31Å; L83-Y86 CarbonylContact O-C 3.59Å; L83-E87 PolarHBondContact O-N 3.43Å; L83-E87 VanDerWaalsContact O-N 3.13Å; L83-M90 HydrophobicContact CD2-CE 3.8Å; L83-M90 HydrophobicContact CD2-SD 3.66Å; L83-L93 HydrophobicContact CD2-CD2 3.98Å
84	S	94.5	Very high	93.7	Very high	78 Å²	78	66.9 Å²	66.9	55%	0.545	34%	0.34	S	S	.	.	H	α-helix	trans	-75.3	-31.9	175.9	180	0	0	0	0	113	R80 T81 I82 Y86	R80-S84 WeakPolarHBondContact O-CB 3.48Å; R80-S84 PolarHBondContact O-N 2.93Å; T81-S84 PolarHBondContact O-N 3.46Å; I82-S84 PolarHBondContact O-N 3.3Å; I82-S84 VanDerWaalsContact O-N 3.15Å; S84-Y86 VanDerWaalsContact C-N 3.34Å
85	R	94.8	Very high	93.4	Very high	144 Å²	144	68.9 Å²	68.9	54%	0.543	35%	0.351	S	S	.	.	H	α-helix	trans	-72.5	-27.5	172.9	-68.8	-57.5	-168.8	-170.3	2	113.1	T81 I82 N155 G156 L157	T81-R85 WeakPolarHBondContact O-CG 3.48Å; T81-R85 PolarHBondContact O-N 3.21Å; I82-R85 PolarHBondContact O-N 3.17Å; R85-N155 PolarHBondContact NE-O 3.47Å; R85-G156 WeakPolarHBondContact CB-O 3.47Å; R85-L157 HydrophobicContact CB-CD2 3.91Å; R85-L157 HydrophobicContact CG-CD2 4.06Å; R85-L157 HydrophobicContact CG-CG 4.26Å
86	Y	94.1	Very high	93.2	Very high	34 Å²	34	70 Å²	70	13%	0.133	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	19.8	178.5	-70.6	-93.1	0	0	0	113	I82 L83 S84 G88 K89 M90 L93 F153 G156 F158	I82-Y86 HydrophobicContact CG2-CD2 4.02Å; I82-Y86 HydrophobicContact CG2-CE2 4.4Å; I82-Y86 WeakPolarHBondContact O-CD2 3.17Å; I82-Y86 PolarHBondContact O-N 3.32Å; L83-Y86 CarbonylContact O-C 3.59Å; S84-Y86 VanDerWaalsContact C-N 3.34Å; Y86-G88 PolarHBondContact O-N 3.33Å; Y86-K89 HydrophobicContact CD1-CB 4.35Å; Y86-K89 CarbonylContact O-C 3.54Å; Y86-K89 VanDerWaalsContact O-C 3.28Å; Y86-K89 WeakPolarHBondContact O-CA 3.43Å; Y86-K89 PolarHBondContact O-N 3.46Å; Y86-M90 PolarHBondContact O-N 2.99Å; Y86-L93 HydrophobicContact CD1-CB 3.88Å; Y86-L93 HydrophobicContact CD2-CD1 4.2Å; Y86-L93 HydrophobicContact CD2-CD2 4.34Å; Y86-L93 HydrophobicContact CE2-CD1 4.43Å; Y86-L93 HydrophobicContact CG-CB 3.94Å; Y86-L93 HydrophobicContact CG-CD1 4.26Å; Y86-L93 HydrophobicContact CG-CD2 4.11Å; Y86-L93 HydrophobicContact CG-CG 4.32Å; Y86-F153 HydrophobicContact CE2-CD1 4.28Å; Y86-F153 AromaticContact CE2-CE1 3.88Å; Y86-F153 HydrophobicContact CE2-CE1 3.88Å; Y86-G156 WeakPolarHBondContact CE2-O 3.43Å; Y86-F158 WeakPolarHBondContact OH-CB 3.19Å; Y86-F158 PolarHBondContact OH-N 2.89Å
87	E	91.3	Very high	93.2	Very high	148 Å²	148	69.8 Å²	69.8	69%	0.692	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	130.5	171.7	-171.3	150.7	-135.5	0	0	109.8	L83 K89	L83-E87 PolarHBondContact O-N 3.43Å; L83-E87 VanDerWaalsContact O-N 3.13Å; E87-K89 PolarHBondContact O-N 2.86Å
88	G	88.8	Confident	93.2	Very high	83 Å²	83	65.3 Å²	65.3	86%	0.856	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	-2	-168.6	0	0	0	0	0	115.7	Y86	Y86-G88 PolarHBondContact O-N 3.33Å
89	K	92.5	Very high	93.1	Very high	135 Å²	135	64.2 Å²	64.2	59%	0.587	33%	0.333	S	S	*	.			trans	-129.5	33.4	179.8	-59.8	-175.6	-178.6	-179.5	0	112.4	Y86 E87 E91 T92 L93	Y86-K89 HydrophobicContact CD1-CB 4.35Å; Y86-K89 CarbonylContact O-C 3.54Å; Y86-K89 VanDerWaalsContact O-C 3.28Å; Y86-K89 WeakPolarHBondContact O-CA 3.43Å; Y86-K89 PolarHBondContact O-N 3.46Å; E87-K89 PolarHBondContact O-N 2.86Å; K89-E91 VanDerWaalsContact C-N 3.29Å; K89-E91 PolarHBondContact O-N 2.89Å; K89-T92 PolarHBondContact O-N 3.18Å; K89-L93 PolarHBondContact O-N 3.22Å
90	M	89.1	Confident	93.1	Very high	55 Å²	55	65.6 Å²	65.6	27%	0.271	34%	0.338	S	S	.	.	H	α-helix	trans	-65.8	-27.2	-175.2	-80	-62.4	-51.6	0	0	113.8	L83 Y86 L93 G94	L83-M90 HydrophobicContact CD2-CE 3.8Å; L83-M90 HydrophobicContact CD2-SD 3.66Å; Y86-M90 PolarHBondContact O-N 2.99Å; M90-L93 HydrophobicContact CE-CD2 4.39Å; M90-L93 PolarHBondContact O-N 3.29Å; M90-L93 HydrophobicContact SD-CD2 4.19Å; M90-G94 PolarHBondContact O-N 3.45Å
91	E	88.1	Confident	93.1	Very high	160 Å²	160	60.4 Å²	60.4	75%	0.748	32%	0.319	S	S	*	.	H	α-helix	trans	-64.8	-52.4	174.8	-66	169.8	168.9	0	0	110	K89 L93 G94 D95	K89-E91 VanDerWaalsContact C-N 3.29Å; K89-E91 PolarHBondContact O-N 2.89Å; E91-L93 PolarHBondContact O-N 2.95Å; E91-L93 VanDerWaalsContact O-N 3.09Å; E91-G94 PolarHBondContact O-N 3.42Å; E91-D95 PolarHBondContact O-N 3.06Å
92	T	91.2	Very high	93.2	Very high	96 Å²	96	58.2 Å²	58.2	59%	0.589	31%	0.306	S	S	*	.	H	α-helix	trans	-56.4	-29.5	175.2	-40.8	0	0	0	0	113.6	K89	K89-T92 PolarHBondContact O-N 3.18Å
93	L	92.5	Very high	93.2	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-81.9	-38.6	173.4	-178.5	63.2	0	0	0	112.6	I82 L83 Y86 K89 M90 E91 D95 N96 F99 F153	I82-L93 HydrophobicContact CG2-CD1 3.81Å; I82-L93 HydrophobicContact CG2-CD2 3.81Å; L83-L93 HydrophobicContact CD2-CD2 3.98Å; Y86-L93 HydrophobicContact CD1-CB 3.88Å; Y86-L93 HydrophobicContact CD2-CD1 4.2Å; Y86-L93 HydrophobicContact CD2-CD2 4.34Å; Y86-L93 HydrophobicContact CE2-CD1 4.43Å; Y86-L93 HydrophobicContact CG-CB 3.94Å; Y86-L93 HydrophobicContact CG-CD1 4.26Å; Y86-L93 HydrophobicContact CG-CD2 4.11Å; Y86-L93 HydrophobicContact CG-CG 4.32Å; K89-L93 PolarHBondContact O-N 3.22Å; M90-L93 HydrophobicContact CE-CD2 4.39Å; M90-L93 PolarHBondContact O-N 3.29Å; M90-L93 HydrophobicContact SD-CD2 4.19Å; E91-L93 PolarHBondContact O-N 2.95Å; E91-L93 VanDerWaalsContact O-N 3.09Å; L93-D95 VanDerWaalsContact C-N 3.34Å; L93-N96 WeakPolarHBondContact O-CB 3.29Å; L93-N96 PolarHBondContact O-N 2.98Å; L93-F99 HydrophobicContact CD1-CB 4.21Å; L93-F99 HydrophobicContact CD1-CD1 3.72Å; L93-F99 HydrophobicContact CD1-CD2 4.01Å; L93-F99 HydrophobicContact CD1-CE1 4.02Å; L93-F99 HydrophobicContact CD1-CE2 4.3Å; L93-F99 HydrophobicContact CD1-CG 3.71Å; L93-F99 HydrophobicContact CD1-CZ 4.3Å; L93-F99 HydrophobicContact CD2-CD1 4.38Å; L93-F99 HydrophobicContact CD2-CE1 3.86Å; L93-F99 HydrophobicContact CD2-CZ 3.99Å; L93-F99 HydrophobicContact CG-CD1 3.69Å; L93-F99 HydrophobicContact CG-CE1 3.67Å; L93-F99 HydrophobicContact CG-CG 4.22Å; L93-F99 HydrophobicContact CG-CZ 4.19Å; L93-F99 WeakPolarHBondContact O-CD1 3.46Å; L93-F153 HydrophobicContact CD1-CE1 3.85Å; L93-F153 HydrophobicContact CD1-CZ 3.78Å
94	G	90.5	Very high	93.3	Very high	3 Å²	3	60.3 Å²	60.3	3%	0.031	32%	0.315	C	S	.	.	H	α-helix	trans	-68.5	-31.2	-179.7	0	0	0	0	0	113.7	V35 M90 E91	V35-G94 PolarHBondContact N-O 3.2Å; M90-G94 PolarHBondContact O-N 3.45Å; E91-G94 PolarHBondContact O-N 3.42Å
95	D	90.8	Very high	93.4	Very high	116 Å²	116	56.9 Å²	56.9	62%	0.62	29%	0.29	S	S	*	.	S	Bend	trans	-84.8	-11.6	176.5	-64.4	-29.1	0	0	0	113.3	E91 L93 E97	E91-D95 PolarHBondContact O-N 3.06Å; L93-D95 VanDerWaalsContact C-N 3.34Å; D95-E97 PolarHBondContact O-N 3.32Å; D95-E97 VanDerWaalsContact O-N 3.08Å
96	N	93.4	Very high	93.5	Very high	25 Å²	25	50 Å²	50	13%	0.134	27%	0.265	C	S	.	.			trans	-65.4	110	178.2	-178.5	-87.1	0	0	0	110.6	L93 Y98 F99 R100 F158	L93-N96 WeakPolarHBondContact O-CB 3.29Å; L93-N96 PolarHBondContact O-N 2.98Å; N96-Y98 VanDerWaalsContact C-N 3.28Å; N96-Y98 PolarHBondContact O-N 3.37Å; N96-Y98 VanDerWaalsContact O-N 3.17Å; N96-Y98 PolarHBondContact OD1-N 3.46Å; N96-F99 HydrophobicContact CB-CB 4.07Å; N96-F99 PolarHBondContact O-N 3.46Å; N96-F99 VanDerWaalsContact O-N 3.11Å; N96-F99 WeakPolarHBondContact OD1-CB 3.34Å; N96-F99 PolarHBondContact OD1-N 3.24Å; N96-R100 VanDerWaalsContact O-CB 3.28Å; N96-R100 WeakPolarHBondContact O-CB 3.4Å; N96-R100 PolarHBondContact O-N 2.91Å; N96-F158 WeakPolarHBondContact ND2-CD2 3.5Å; N96-F158 WeakPolarHBondContact ND2-CE1 3.44Å; N96-F158 VanDerWaalsContact ND2-CE2 3.31Å; N96-F158 WeakPolarHBondContact ND2-CE2 3.45Å; N96-F158 VanDerWaalsContact ND2-CZ 3.3Å; N96-F158 WeakPolarHBondContact ND2-CZ 3.34Å
97	E	94.5	Very high	93.6	Very high	77 Å²	77	49.4 Å²	49.4	36%	0.36	26%	0.264	S	S	.	.	H	α-helix	trans	-53	-43.1	-172.4	179.3	167	-136	0	0	113.3	D95 R100 V101 I183	D95-E97 PolarHBondContact O-N 3.32Å; D95-E97 VanDerWaalsContact O-N 3.08Å; E97-R100 WeakPolarHBondContact O-CB 3.3Å; E97-R100 PolarHBondContact O-N 3.5Å; E97-R100 IonicContact OE1-NH2 2.95Å; E97-V101 WeakPolarHBondContact O-CG2 3.28Å; E97-V101 PolarHBondContact O-N 2.92Å; E97-I183 HydrophobicContact CG-CG2 4.1Å
98	Y	96.3	Very high	93.9	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.016	25%	0.254	C	S	.	.	H	α-helix	trans	-64.1	-51.2	177.8	170.4	-93.7	0	0	0	112.2	N96 R100 V101 F102 E148 L149 I152 F153 T182 I183	N96-Y98 VanDerWaalsContact C-N 3.28Å; N96-Y98 PolarHBondContact O-N 3.37Å; N96-Y98 VanDerWaalsContact O-N 3.17Å; N96-Y98 PolarHBondContact OD1-N 3.46Å; Y98-R100 PolarHBondContact O-N 2.85Å; Y98-V101 PolarHBondContact O-N 3.35Å; Y98-F102 HydrophobicContact CE1-CB 4.35Å; Y98-F102 VanDerWaalsContact O-CB 3.3Å; Y98-F102 WeakPolarHBondContact O-CB 3.47Å; Y98-F102 PolarHBondContact O-N 3.29Å; Y98-F102 WeakPolarHBondContact OH-CD2 3.46Å; Y98-E148 HydrophobicContact CE2-CG 4.05Å; Y98-E148 VanDerWaalsContact CE2-OE2 3.27Å; Y98-E148 WeakPolarHBondContact CE2-OE2 3.33Å; Y98-E148 VanDerWaalsContact OH-CD 3.28Å; Y98-E148 WeakPolarHBondContact OH-CG 3.37Å; Y98-E148 PolarHBondContact OH-OE2 2.85Å; Y98-L149 HydrophobicContact CE1-CD1 4.28Å; Y98-I152 HydrophobicContact CD1-CB 4.15Å; Y98-I152 HydrophobicContact CD1-CG2 3.44Å; Y98-I152 VanDerWaalsContact CD1-CG2 3.44Å; Y98-I152 HydrophobicContact CE1-CB 3.78Å; Y98-I152 HydrophobicContact CE1-CG1 4.2Å; Y98-I152 HydrophobicContact CE1-CG2 3.61Å; Y98-I152 HydrophobicContact CE2-CG1 4.22Å; Y98-I152 HydrophobicContact CG-CG2 3.96Å; Y98-F153 HydrophobicContact CD1-CD2 4.35Å; Y98-F153 AromaticContact CD1-CE2 3.82Å; Y98-F153 HydrophobicContact CD1-CE2 3.82Å; Y98-F153 HydrophobicContact CE1-CD2 4.12Å; Y98-F153 AromaticContact CE1-CE2 3.98Å; Y98-F153 HydrophobicContact CE1-CE2 3.98Å; Y98-T182 HydrophobicContact CD2-CG2 4.36Å; Y98-T182 HydrophobicContact CG-CG2 4.25Å; Y98-I183 HydrophobicContact CD2-CB 4.32Å; Y98-I183 HydrophobicContact CD2-CD1 3.97Å
99	F	96.3	Very high	94.3	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.6	-37.2	179.4	-173.1	-107.5	0	0	0	112	V35 L79 I82 L93 N96 F102 M103 F153	V35-F99 HydrophobicContact CB-CD1 4.19Å; V35-F99 HydrophobicContact CB-CE1 4.06Å; V35-F99 HydrophobicContact CG1-CD1 4.34Å; V35-F99 HydrophobicContact CG1-CE1 3.75Å; V35-F99 HydrophobicContact CG2-CD1 4.3Å; L79-F99 HydrophobicContact CD2-CE2 3.76Å; L79-F99 HydrophobicContact CD2-CZ 4.3Å; I82-F99 HydrophobicContact CD1-CE2 4.45Å; I82-F99 HydrophobicContact CG2-CE2 4.13Å; L93-F99 HydrophobicContact CD1-CB 4.21Å; L93-F99 HydrophobicContact CD1-CD1 3.72Å; L93-F99 HydrophobicContact CD1-CD2 4.01Å; L93-F99 HydrophobicContact CD1-CE1 4.02Å; L93-F99 HydrophobicContact CD1-CE2 4.3Å; L93-F99 HydrophobicContact CD1-CG 3.71Å; L93-F99 HydrophobicContact CD1-CZ 4.3Å; L93-F99 HydrophobicContact CD2-CD1 4.38Å; L93-F99 HydrophobicContact CD2-CE1 3.86Å; L93-F99 HydrophobicContact CD2-CZ 3.99Å; L93-F99 HydrophobicContact CG-CD1 3.69Å; L93-F99 HydrophobicContact CG-CE1 3.67Å; L93-F99 HydrophobicContact CG-CG 4.22Å; L93-F99 HydrophobicContact CG-CZ 4.19Å; L93-F99 WeakPolarHBondContact O-CD1 3.46Å; N96-F99 HydrophobicContact CB-CB 4.07Å; N96-F99 PolarHBondContact O-N 3.46Å; N96-F99 VanDerWaalsContact O-N 3.11Å; N96-F99 WeakPolarHBondContact OD1-CB 3.34Å; N96-F99 PolarHBondContact OD1-N 3.24Å; F99-F102 PolarHBondContact O-N 3.39Å; F99-M103 HydrophobicContact CD1-CG 4.26Å; F99-M103 HydrophobicContact CD2-CG 4.4Å; F99-M103 HydrophobicContact CE1-CG 3.91Å; F99-M103 HydrophobicContact CE2-CG 4.05Å; F99-M103 HydrophobicContact CE2-SD 4.4Å; F99-M103 HydrophobicContact CZ-CG 3.79Å; F99-M103 HydrophobicContact CZ-SD 4.24Å; F99-M103 WeakPolarHBondContact O-CB 3.46Å; F99-M103 WeakPolarHBondContact O-CG 3.44Å; F99-M103 PolarHBondContact O-N 3.19Å; F99-F153 HydrophobicContact CB-CE2 4.12Å; F99-F153 HydrophobicContact CB-CZ 4.02Å; F99-F153 AromaticContact CD2-CE2 3.94Å; F99-F153 HydrophobicContact CD2-CE2 3.94Å; F99-F153 HydrophobicContact CD2-CZ 4.02Å; F99-F153 HydrophobicContact CG-CE2 4.46Å; F99-F153 HydrophobicContact CG-CZ 4.3Å
100	R	95.1	Very high	94.5	Very high	31 Å²	31	37.6 Å²	37.6	12%	0.117	19%	0.187	C	C	.	.	H	α-helix	trans	-61.7	-51	176.5	-159.1	-173.6	54.3	133	-8	112	P32 G33 V35 N96 E97 Y98 E104	P32-R100 HydrophobicContact CB-CG 3.77Å; P32-R100 WeakPolarHBondContact O-CD 3.3Å; P32-R100 PolarHBondContact O-NH1 3.36Å; G33-R100 VanDerWaalsContact O-CG 3.27Å; G33-R100 WeakPolarHBondContact O-CG 3.31Å; V35-R100 HydrophobicContact CG2-CB 4.29Å; V35-R100 HydrophobicContact CG2-CG 4.19Å; N96-R100 VanDerWaalsContact O-CB 3.28Å; N96-R100 WeakPolarHBondContact O-CB 3.4Å; N96-R100 PolarHBondContact O-N 2.91Å; E97-R100 WeakPolarHBondContact O-CB 3.3Å; E97-R100 PolarHBondContact O-N 3.5Å; E97-R100 IonicContact OE1-NH2 2.95Å; Y98-R100 PolarHBondContact O-N 2.85Å; R100-E104 PolarHBondContact O-N 3.23Å
101	V	96.3	Very high	94.9	Very high	7 Å²	7	40.4 Å²	40.4	4%	0.042	20%	0.198	C	C	.	.	H	α-helix	trans	-63.7	-42.7	174.2	171.6	0	0	0	0	111.4	P32 E97 Y98 E104 N105 I183 Y219	P32-V101 HydrophobicContact CG-CG2 4.15Å; E97-V101 WeakPolarHBondContact O-CG2 3.28Å; E97-V101 PolarHBondContact O-N 2.92Å; Y98-V101 PolarHBondContact O-N 3.35Å; V101-E104 PolarHBondContact O-N 3.13Å; V101-N105 WeakPolarHBondContact O-CB 3.48Å; V101-N105 PolarHBondContact O-N 3.21Å; V101-I183 HydrophobicContact CB-CD1 4.34Å; V101-I183 HydrophobicContact CG1-CD1 3.96Å; V101-Y219 HydrophobicContact CG1-CD2 3.83Å; V101-Y219 HydrophobicContact CG1-CE2 4.11Å; V101-Y219 HydrophobicContact CG1-CG 4.18Å; V101-Y219 HydrophobicContact CG2-CD1 4.44Å; V101-Y219 HydrophobicContact CG2-CD2 4.44Å; V101-Y219 HydrophobicContact CG2-CE1 4.04Å; V101-Y219 HydrophobicContact CG2-CE2 4.06Å
102	F	97.2	Very high	95.3	Very high	3 Å²	3	37.7 Å²	37.7	1%	0.013	19%	0.185	C	C	.	.	H	α-helix	trans	-59.7	-48.6	179.2	179.4	-89.2	0	0	0	112.2	T75 L79 Y98 F99 E104 N105 L106 M145 L149	T75-F102 HydrophobicContact CG2-CZ 4.43Å; L79-F102 HydrophobicContact CD2-CE1 4.22Å; Y98-F102 HydrophobicContact CE1-CB 4.35Å; Y98-F102 VanDerWaalsContact O-CB 3.3Å; Y98-F102 WeakPolarHBondContact O-CB 3.47Å; Y98-F102 PolarHBondContact O-N 3.29Å; Y98-F102 WeakPolarHBondContact OH-CD2 3.46Å; F99-F102 PolarHBondContact O-N 3.39Å; F102-E104 PolarHBondContact O-N 3.13Å; F102-N105 WeakPolarHBondContact O-CB 3.43Å; F102-N105 PolarHBondContact O-N 3.06Å; F102-L106 HydrophobicContact CE1-CB 4.37Å; F102-L106 HydrophobicContact CE1-CD2 3.99Å; F102-L106 WeakPolarHBondContact O-CB 3.38Å; F102-L106 PolarHBondContact O-N 3.09Å; F102-M145 HydrophobicContact CD2-CE 4.28Å; F102-M145 HydrophobicContact CE2-CB 3.94Å; F102-M145 HydrophobicContact CE2-CE 3.86Å; F102-M145 WeakPolarHBondContact CE2-O 3.43Å; F102-M145 HydrophobicContact CZ-CB 4.5Å; F102-M145 HydrophobicContact CZ-CE 4.16Å; F102-L149 HydrophobicContact CD1-CD1 3.94Å; F102-L149 HydrophobicContact CD2-CD1 4.27Å; F102-L149 HydrophobicContact CE1-CD1 3.88Å; F102-L149 HydrophobicContact CE1-CD2 3.81Å; F102-L149 HydrophobicContact CE1-CG 4.31Å; F102-L149 HydrophobicContact CE2-CB 3.85Å; F102-L149 HydrophobicContact CE2-CD1 4.2Å; F102-L149 HydrophobicContact CE2-CD2 4.48Å; F102-L149 HydrophobicContact CE2-CG 4.39Å; F102-L149 HydrophobicContact CG-CD1 4.15Å; F102-L149 HydrophobicContact CZ-CB 3.92Å; F102-L149 HydrophobicContact CZ-CD1 4.03Å; F102-L149 HydrophobicContact CZ-CD2 3.71Å; F102-L149 HydrophobicContact CZ-CG 4.09Å
103	M	96.4	Very high	95.6	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-69.2	-33.4	-177.7	-76.4	-59.6	-47.4	0	0	112.9	V35 V40 C43 L79 F99 L106 T107	V35-M103 HydrophobicContact CG1-CB 4.25Å; V35-M103 HydrophobicContact CG1-CG 4.12Å; V35-M103 HydrophobicContact CG2-CB 4Å; V35-M103 HydrophobicContact CG2-CG 4.42Å; V40-M103 HydrophobicContact CB-CE 4.2Å; V40-M103 HydrophobicContact CG1-CE 4.03Å; V40-M103 HydrophobicContact CG2-CE 4.05Å; C43-M103 HydrophobicContact CB-CE 3.64Å; L79-M103 HydrophobicContact CD1-SD 4.01Å; L79-M103 HydrophobicContact CD2-SD 3.74Å; F99-M103 HydrophobicContact CD1-CG 4.26Å; F99-M103 HydrophobicContact CD2-CG 4.4Å; F99-M103 HydrophobicContact CE1-CG 3.91Å; F99-M103 HydrophobicContact CE2-CG 4.05Å; F99-M103 HydrophobicContact CE2-SD 4.4Å; F99-M103 HydrophobicContact CZ-CG 3.79Å; F99-M103 HydrophobicContact CZ-SD 4.24Å; F99-M103 WeakPolarHBondContact O-CB 3.46Å; F99-M103 WeakPolarHBondContact O-CG 3.44Å; F99-M103 PolarHBondContact O-N 3.19Å; M103-L106 HydrophobicContact SD-CD2 4.34Å; M103-T107 WeakPolarHBondContact O-CB 3.44Å; M103-T107 PolarHBondContact O-N 3.11Å; M103-T107 VanDerWaalsContact O-N 3.15Å; M103-T107 PolarHBondContact O-OG1 3.23Å
104	E	95.6	Very high	95.8	Very high	65 Å²	65	33.8 Å²	33.8	30%	0.304	16%	0.161	S	C	.	.	H	α-helix	trans	-65.5	-45.5	169.3	-167.3	-175.9	149.3	0	0	110.9	P32 R100 V101 F102 L106 T107 K108	P32-E104 WeakPolarHBondContact CB-OE2 3.29Å; P32-E104 WeakPolarHBondContact CG-OE2 3.44Å; R100-E104 PolarHBondContact O-N 3.23Å; V101-E104 PolarHBondContact O-N 3.13Å; F102-E104 PolarHBondContact O-N 3.13Å; E104-L106 PolarHBondContact O-N 3.41Å; E104-T107 CarbonylContact O-C 3.51Å; E104-T107 WeakPolarHBondContact O-CB 3.41Å; E104-T107 PolarHBondContact O-N 2.93Å; E104-K108 HydrophobicContact CG-CD 4.48Å; E104-K108 WeakPolarHBondContact O-CG 3.41Å; E104-K108 PolarHBondContact O-N 3.16Å; E104-K108 WeakPolarHBondContact OE1-CE 3.43Å; E104-K108 IonicContact OE1-NZ 2.62Å; E104-K108 PolarHBondContact OE1-NZ 3.31Å
105	N	96.8	Very high	96.2	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.032	17%	0.174	C	C	.	.	H	α-helix	trans	-61.4	-45.6	178.6	-171.1	26.2	0	0	0	112.2	V101 F102 T107 K108 K109 M145 T215 N217	V101-N105 WeakPolarHBondContact O-CB 3.48Å; V101-N105 PolarHBondContact O-N 3.21Å; F102-N105 WeakPolarHBondContact O-CB 3.43Å; F102-N105 PolarHBondContact O-N 3.06Å; N105-T107 VanDerWaalsContact C-N 3.26Å; N105-T107 PolarHBondContact O-N 3.26Å; N105-K108 CarbonylContact O-C 3.49Å; N105-K108 WeakPolarHBondContact O-CA 3.18Å; N105-K108 WeakPolarHBondContact O-CB 3.33Å; N105-K108 PolarHBondContact O-N 2.62Å; N105-K109 WeakPolarHBondContact O-CG 3.4Å; N105-K109 PolarHBondContact O-N 3.34Å; N105-K109 PolarHBondContact OD1-NZ 2.82Å; N105-M145 HydrophobicContact CB-CE 4.1Å; N105-M145 WeakPolarHBondContact ND2-CE 3.46Å; N105-T215 PolarHBondContact ND2-O 2.93Å; N105-N217 HydrophobicContact CB-CB 4.2Å
106	L	97.2	Very high	96.5	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-60.7	-39	177.5	-174.1	65	0	0	0	111	M47 T75 L79 F102 M103 E104 T110 F142 M145	M47-L106 HydrophobicContact SD-CD2 3.95Å; T75-L106 HydrophobicContact CG2-CD1 4.27Å; T75-L106 HydrophobicContact CG2-CD2 4.07Å; L79-L106 HydrophobicContact CD1-CD2 3.71Å; F102-L106 HydrophobicContact CE1-CB 4.37Å; F102-L106 HydrophobicContact CE1-CD2 3.99Å; F102-L106 WeakPolarHBondContact O-CB 3.38Å; F102-L106 PolarHBondContact O-N 3.09Å; M103-L106 HydrophobicContact SD-CD2 4.34Å; E104-L106 PolarHBondContact O-N 3.41Å; L106-T110 HydrophobicContact CD1-CG2 4.48Å; L106-T110 WeakPolarHBondContact O-CB 3.37Å; L106-T110 VanDerWaalsContact O-CG2 3.3Å; L106-T110 WeakPolarHBondContact O-CG2 3.46Å; L106-T110 PolarHBondContact O-N 3.05Å; L106-T110 PolarHBondContact O-OG1 3.45Å; L106-F142 HydrophobicContact CD1-CD1 4.24Å; L106-F142 HydrophobicContact CD1-CE1 4.05Å; L106-M145 HydrophobicContact CB-CE 3.89Å; L106-M145 HydrophobicContact CD1-CE 4.09Å
107	T	96.4	Very high	96.6	Very high	20 Å²	20	30.8 Å²	30.8	12%	0.123	15%	0.146	C	C	.	.	H	α-helix	trans	-67.4	-34.3	174	-58.2	0	0	0	0	112.5	C43 L46 M103 E104 N105 T110 K111	C43-T107 PolarHBondContact SG-OG1 2.65Å; L46-T107 HydrophobicContact CD1-CG2 4.05Å; M103-T107 WeakPolarHBondContact O-CB 3.44Å; M103-T107 PolarHBondContact O-N 3.11Å; M103-T107 VanDerWaalsContact O-N 3.15Å; M103-T107 PolarHBondContact O-OG1 3.23Å; E104-T107 CarbonylContact O-C 3.51Å; E104-T107 WeakPolarHBondContact O-CB 3.41Å; E104-T107 PolarHBondContact O-N 2.93Å; N105-T107 VanDerWaalsContact C-N 3.26Å; N105-T107 PolarHBondContact O-N 3.26Å; T107-T110 PolarHBondContact O-OG1 3.28Å; T107-K111 HydrophobicContact CG2-CD 4.46Å; T107-K111 WeakPolarHBondContact O-CB 3.43Å; T107-K111 WeakPolarHBondContact O-CD 3.37Å; T107-K111 WeakPolarHBondContact O-CG 3.39Å; T107-K111 PolarHBondContact O-N 2.96Å
108	K	96.6	Very high	96.6	Very high	108 Å²	108	33.8 Å²	33.8	47%	0.47	16%	0.158	S	C	.	.	H	α-helix	trans	-69.6	-52.7	172.9	-73.2	172.1	179.8	166.4	0	111.5	E104 N105 T110 K111 Q112	E104-K108 HydrophobicContact CG-CD 4.48Å; E104-K108 WeakPolarHBondContact O-CG 3.41Å; E104-K108 PolarHBondContact O-N 3.16Å; E104-K108 WeakPolarHBondContact OE1-CE 3.43Å; E104-K108 IonicContact OE1-NZ 2.62Å; E104-K108 PolarHBondContact OE1-NZ 3.31Å; N105-K108 CarbonylContact O-C 3.49Å; N105-K108 WeakPolarHBondContact O-CA 3.18Å; N105-K108 WeakPolarHBondContact O-CB 3.33Å; N105-K108 PolarHBondContact O-N 2.62Å; K108-T110 PolarHBondContact O-N 3.21Å; K108-K111 PolarHBondContact O-N 2.69Å; K108-Q112 WeakPolarHBondContact O-CB 3.22Å; K108-Q112 PolarHBondContact O-N 2.96Å
109	K	97.1	Very high	96.6	Very high	11 Å²	11	40 Å²	40	5%	0.048	19%	0.187	C	C	.	.	H	α-helix	trans	-65.4	-36.9	-176.5	-63.6	-51.6	-165.5	-55.3	0	113.1	N105 Q112 T113 L138 I141 F142 M145 T215 C216	N105-K109 WeakPolarHBondContact O-CG 3.4Å; N105-K109 PolarHBondContact O-N 3.34Å; N105-K109 PolarHBondContact OD1-NZ 2.82Å; K109-Q112 PolarHBondContact O-N 3.32Å; K109-T113 PolarHBondContact O-N 3.44Å; K109-T113 PolarHBondContact O-OG1 3.28Å; K109-L138 HydrophobicContact CD-CD2 4.35Å; K109-I141 HydrophobicContact CD-CG2 4.27Å; K109-I141 HydrophobicContact CG-CG2 4.15Å; K109-F142 HydrophobicContact CB-CE1 3.86Å; K109-F142 HydrophobicContact CB-CZ 3.99Å; K109-M145 HydrophobicContact CG-SD 4.05Å; K109-T215 PolarHBondContact NZ-O 3.2Å; K109-C216 PolarHBondContact NZ-O 3.03Å
110	T	97.6	Very high	96.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65.5	-44.8	173.1	50.9	0	0	0	0	112.3	M47 L106 T107 K108 Q112 T113 I114 F142	M47-T110 HydrophobicContact CG-CG2 3.77Å; L106-T110 HydrophobicContact CD1-CG2 4.48Å; L106-T110 WeakPolarHBondContact O-CB 3.37Å; L106-T110 VanDerWaalsContact O-CG2 3.3Å; L106-T110 WeakPolarHBondContact O-CG2 3.46Å; L106-T110 PolarHBondContact O-N 3.05Å; L106-T110 PolarHBondContact O-OG1 3.45Å; T107-T110 PolarHBondContact O-OG1 3.28Å; K108-T110 PolarHBondContact O-N 3.21Å; T110-Q112 PolarHBondContact O-N 3.32Å; T110-T113 PolarHBondContact O-N 3.26Å; T110-I114 WeakPolarHBondContact O-CG1 3.49Å; T110-I114 PolarHBondContact O-N 3.08Å; T110-F142 HydrophobicContact CG2-CE1 4.05Å; T110-F142 HydrophobicContact CG2-CZ 4.07Å
111	K	97.5	Very high	96.3	Very high	114 Å²	114	45.7 Å²	45.7	50%	0.496	22%	0.215	S	C	.	.	H	α-helix	trans	-59.1	-45.6	172.4	-73.8	171.5	-174.7	173.7	0	112.2	L46 T107 K108 T113 I114 S115	L46-K111 HydrophobicContact CD1-CG 4.11Å; L46-K111 HydrophobicContact CD2-CG 4.46Å; T107-K111 HydrophobicContact CG2-CD 4.46Å; T107-K111 WeakPolarHBondContact O-CB 3.43Å; T107-K111 WeakPolarHBondContact O-CD 3.37Å; T107-K111 WeakPolarHBondContact O-CG 3.39Å; T107-K111 PolarHBondContact O-N 2.96Å; K108-K111 PolarHBondContact O-N 2.69Å; K111-T113 VanDerWaalsContact C-N 3.31Å; K111-T113 PolarHBondContact O-N 2.74Å; K111-I114 PolarHBondContact O-N 3.13Å; K111-S115 PolarHBondContact O-N 3.23Å
112	Q	97.3	Very high	96.1	Very high	103 Å²	103	50.8 Å²	50.8	48%	0.481	24%	0.238	S	C	.	.	H	α-helix	trans	-58.3	-43.7	177.5	-173.5	-179.4	14.2	0	0	111.3	K108 K109 T110 S115 L116 L138	K108-Q112 WeakPolarHBondContact O-CB 3.22Å; K108-Q112 PolarHBondContact O-N 2.96Å; K109-Q112 PolarHBondContact O-N 3.32Å; T110-Q112 PolarHBondContact O-N 3.32Å; Q112-S115 PolarHBondContact O-N 3.37Å; Q112-L116 PolarHBondContact O-N 3.22Å; Q112-L138 HydrophobicContact CG-CD2 4.45Å
113	T	97.3	Very high	95.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.8	-43.2	175.9	-49.8	0	0	0	0	111.6	V50 K109 T110 K111 S115 L116 F117 L135 L138 F142	V50-T113 HydrophobicContact CG1-CG2 3.61Å; V50-T113 HydrophobicContact CG2-CG2 4.13Å; K109-T113 PolarHBondContact O-N 3.44Å; K109-T113 PolarHBondContact O-OG1 3.28Å; T110-T113 PolarHBondContact O-N 3.26Å; K111-T113 VanDerWaalsContact C-N 3.31Å; K111-T113 PolarHBondContact O-N 2.74Å; T113-S115 VanDerWaalsContact C-N 3.29Å; T113-S115 PolarHBondContact O-N 3.31Å; T113-L116 PolarHBondContact O-N 2.95Å; T113-F117 HydrophobicContact CG2-CD2 4.31Å; T113-F117 HydrophobicContact CG2-CE2 4.2Å; T113-F117 WeakPolarHBondContact O-CD2 3.44Å; T113-F117 PolarHBondContact O-N 3.02Å; T113-L135 HydrophobicContact CG2-CD1 3.9Å; T113-L138 HydrophobicContact CG2-CD1 4.42Å; T113-F142 WeakPolarHBondContact OG1-CE2 3.28Å
114	I	97	Very high	95.8	Very high	15 Å²	15	57.1 Å²	57.1	8%	0.077	26%	0.262	C	S	.	.	H	α-helix	trans	-62.6	-36.2	175.2	-66.2	161.3	0	0	0	111.5	L46 K49 V50 L53 T110 K111 K118	L46-I114 HydrophobicContact CB-CD1 4.33Å; L46-I114 HydrophobicContact CD2-CD1 3.78Å; K49-I114 HydrophobicContact CB-CD1 4.22Å; K49-I114 HydrophobicContact CD-CD1 4.11Å; K49-I114 HydrophobicContact CG-CD1 4.13Å; K49-I114 HydrophobicContact CG-CG1 4.32Å; V50-I114 HydrophobicContact CG2-CD1 4.18Å; V50-I114 HydrophobicContact CG2-CG1 3.72Å; L53-I114 HydrophobicContact CD1-CG1 4.28Å; T110-I114 WeakPolarHBondContact O-CG1 3.49Å; T110-I114 PolarHBondContact O-N 3.08Å; K111-I114 PolarHBondContact O-N 3.13Å; I114-K118 WeakPolarHBondContact O-CG 3.27Å; I114-K118 PolarHBondContact O-N 3.05Å
115	S	97.4	Very high	95.6	Very high	46 Å²	46	57 Å²	57	32%	0.322	26%	0.259	S	S	.	.	H	α-helix	trans	-68.8	-45.3	176.9	-142.1	0	0	0	0	111.7	K111 Q112 T113 F117 K118 E119	K111-S115 PolarHBondContact O-N 3.23Å; Q112-S115 PolarHBondContact O-N 3.37Å; T113-S115 VanDerWaalsContact C-N 3.29Å; T113-S115 PolarHBondContact O-N 3.31Å; S115-F117 VanDerWaalsContact C-N 3.25Å; S115-F117 PolarHBondContact O-N 3.06Å; S115-K118 WeakPolarHBondContact O-CA 3.3Å; S115-K118 WeakPolarHBondContact O-CB 3.4Å; S115-K118 PolarHBondContact O-N 2.94Å; S115-E119 WeakPolarHBondContact CB-OE1 3.37Å; S115-E119 WeakPolarHBondContact O-CG 3.37Å; S115-E119 PolarHBondContact O-N 2.92Å; S115-E119 PolarHBondContact OG-OE1 3.33Å
116	L	96.8	Very high	95.3	Very high	16 Å²	16	60.8 Å²	60.8	8%	0.084	28%	0.277	C	S	.	.	H	α-helix	trans	-53.5	-40.2	175.7	-177.9	64.5	0	0	0	112.7	Q112 T113 G120 M124 P131 N134 L135 L138	Q112-L116 PolarHBondContact O-N 3.22Å; T113-L116 PolarHBondContact O-N 2.95Å; L116-G120 PolarHBondContact O-N 2.94Å; L116-M124 HydrophobicContact CD2-CE 4.29Å; L116-M124 HydrophobicContact CG-CE 4.12Å; L116-M124 HydrophobicContact CG-SD 4.14Å; L116-P131 HydrophobicContact CD1-CB 4.13Å; L116-N134 HydrophobicContact CD1-CB 3.97Å; L116-N134 HydrophobicContact CD2-CB 3.8Å; L116-L135 HydrophobicContact CD2-CB 4.15Å; L116-L138 HydrophobicContact CD2-CD1 3.69Å
117	F	95.6	Very high	94.7	Very high	18 Å²	18	65.7 Å²	65.7	8%	0.079	30%	0.3	C	S	.	.	H	α-helix	trans	-67	-38.9	173.8	-87.5	-78.4	0	0	0	113.4	L53 L59 T113 S115 K121 M124 L135	L53-F117 HydrophobicContact CB-CD1 4.23Å; L53-F117 HydrophobicContact CB-CD2 3.93Å; L53-F117 HydrophobicContact CB-CE1 4.23Å; L53-F117 HydrophobicContact CB-CE2 3.93Å; L53-F117 HydrophobicContact CB-CG 4.09Å; L53-F117 HydrophobicContact CB-CZ 4.08Å; L53-F117 HydrophobicContact CD1-CB 4.02Å; L53-F117 HydrophobicContact CD1-CD2 3.97Å; L53-F117 HydrophobicContact CD1-CG 4.05Å; L53-F117 HydrophobicContact CD2-CB 4.3Å; L53-F117 HydrophobicContact CD2-CD1 4.39Å; L53-F117 HydrophobicContact CD2-CG 4.29Å; L53-F117 HydrophobicContact CG-CD2 4.46Å; L53-F117 HydrophobicContact CG-CG 4.38Å; L59-F117 HydrophobicContact CD1-CE1 3.91Å; L59-F117 HydrophobicContact CD1-CZ 3.96Å; L59-F117 HydrophobicContact CD2-CE1 4.11Å; T113-F117 HydrophobicContact CG2-CD2 4.31Å; T113-F117 HydrophobicContact CG2-CE2 4.2Å; T113-F117 WeakPolarHBondContact O-CD2 3.44Å; T113-F117 PolarHBondContact O-N 3.02Å; S115-F117 VanDerWaalsContact C-N 3.25Å; S115-F117 PolarHBondContact O-N 3.06Å; F117-K121 PolarHBondContact O-N 2.92Å; F117-M124 HydrophobicContact CD1-CB 4.31Å; F117-M124 HydrophobicContact CD1-CE 3.77Å; F117-M124 HydrophobicContact CD1-CG 3.88Å; F117-M124 HydrophobicContact CD2-CE 4.11Å; F117-M124 HydrophobicContact CE1-CB 4.25Å; F117-M124 HydrophobicContact CE1-CE 3.67Å; F117-M124 HydrophobicContact CE1-CG 4.25Å; F117-M124 HydrophobicContact CE2-CE 4.01Å; F117-M124 HydrophobicContact CG-CE 3.99Å; F117-M124 HydrophobicContact CZ-CE 3.79Å; F117-L135 HydrophobicContact CE2-CD1 3.96Å; F117-L135 HydrophobicContact CE2-CD2 4.25Å; F117-L135 HydrophobicContact CZ-CD1 4.39Å; F117-L135 HydrophobicContact CZ-CD2 3.84Å
118	K	95.7	Very high	94.2	Very high	141 Å²	141	70.7 Å²	70.7	61%	0.613	33%	0.325	S	S	*	.	H	α-helix	trans	-67.1	-37.3	176.3	-70.1	174.3	172.2	-172.7	0	112.8	I114 S115 K121	I114-K118 WeakPolarHBondContact O-CG 3.27Å; I114-K118 PolarHBondContact O-N 3.05Å; S115-K118 WeakPolarHBondContact O-CA 3.3Å; S115-K118 WeakPolarHBondContact O-CB 3.4Å; S115-K118 PolarHBondContact O-N 2.94Å; K118-K121 VanDerWaalsContact O-CE 3.27Å; K118-K121 WeakPolarHBondContact O-CE 3.44Å; K118-K121 VanDerWaalsContact O-CG 3.22Å; K118-K121 WeakPolarHBondContact O-CG 3.44Å
119	E	95.4	Very high	94	Very high	133 Å²	133	65.9 Å²	65.9	62%	0.621	31%	0.305	S	S	*	.	H	α-helix	trans	-79.9	-47.4	-177.6	-69.6	153.5	-139.9	0	0	111.1	S115	S115-E119 WeakPolarHBondContact CB-OE1 3.37Å; S115-E119 WeakPolarHBondContact O-CG 3.37Å; S115-E119 PolarHBondContact O-N 2.92Å; S115-E119 PolarHBondContact OG-OE1 3.33Å
120	G	91.8	Very high	93.7	Very high	6 Å²	6	69.6 Å²	69.6	6%	0.062	32%	0.323	C	S	.	.	H	α-helix	trans	-70	-33.7	-178.3	0	0	0	0	0	114.3	L116 E122 R123	L116-G120 PolarHBondContact O-N 2.94Å; G120-E122 PolarHBondContact O-N 2.84Å; G120-R123 WeakPolarHBondContact O-CA 3.28Å; G120-R123 WeakPolarHBondContact O-CB 3.35Å; G120-R123 WeakPolarHBondContact O-CG 3.36Å; G120-R123 PolarHBondContact O-N 3.37Å
121	K	94.1	Very high	93.5	Very high	145 Å²	145	70.5 Å²	70.5	63%	0.63	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	49	-130	179.9	-55.6	-179.8	-176.3	176	0	111.2	F117 K118 R123 M124	F117-K121 PolarHBondContact O-N 2.92Å; K118-K121 VanDerWaalsContact O-CE 3.27Å; K118-K121 WeakPolarHBondContact O-CE 3.44Å; K118-K121 VanDerWaalsContact O-CG 3.22Å; K118-K121 WeakPolarHBondContact O-CG 3.44Å; K121-R123 PolarHBondContact O-N 3.29Å; K121-R123 VanDerWaalsContact O-N 3.1Å; K121-M124 WeakPolarHBondContact O-CB 3.44Å; K121-M124 WeakPolarHBondContact O-CG 3.43Å; K121-M124 PolarHBondContact O-N 2.99Å
122	E	92.3	Very high	93.2	Very high	114 Å²	114	66 Å²	66	53%	0.533	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-58.9	-24	179.4	-60.5	-53.4	107.2	0	0	113.5	K58 G120 M124 Y125	K58-E122 IonicContact NZ-OE2 2.72Å; K58-E122 PolarHBondContact NZ-OE2 2.91Å; G120-E122 PolarHBondContact O-N 2.84Å; E122-M124 PolarHBondContact O-N 3.46Å; E122-M124 VanDerWaalsContact O-N 3.14Å; E122-Y125 HydrophobicContact CB-CD2 4.28Å; E122-Y125 HydrophobicContact CB-CE2 4.49Å; E122-Y125 WeakPolarHBondContact O-CB 3.25Å; E122-Y125 VanDerWaalsContact O-CD2 3.27Å; E122-Y125 WeakPolarHBondContact O-CD2 3.39Å; E122-Y125 PolarHBondContact O-N 2.88Å; E122-Y125 WeakPolarHBondContact OE1-CE2 3.11Å; E122-Y125 WeakPolarHBondContact OE2-CE2 3.32Å
123	R	93.1	Very high	92.8	Very high	136 Å²	136	66.3 Å²	66.3	51%	0.513	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-68.1	-10.9	177.2	-46.7	-163.4	67	-170	-2.3	113.3	G120 K121 Y125 E126 S129 P131	G120-R123 WeakPolarHBondContact O-CA 3.28Å; G120-R123 WeakPolarHBondContact O-CB 3.35Å; G120-R123 WeakPolarHBondContact O-CG 3.36Å; G120-R123 PolarHBondContact O-N 3.37Å; K121-R123 PolarHBondContact O-N 3.29Å; K121-R123 VanDerWaalsContact O-N 3.1Å; R123-Y125 PolarHBondContact O-N 3.21Å; R123-E126 WeakPolarHBondContact CG-OE1 3.43Å; R123-E126 IonicContact CZ-OE2 3.92Å; R123-E126 IonicContact NE-OE1 2.57Å; R123-E126 PolarHBondContact NE-OE1 3.42Å; R123-E126 IonicContact NE-OE2 2.73Å; R123-E126 PolarHBondContact NE-OE2 2.93Å; R123-E126 IonicContact NH2-OE2 3.16Å; R123-E126 PolarHBondContact NH2-OE2 2.94Å; R123-S129 WeakPolarHBondContact O-CB 3.49Å; R123-S129 PolarHBondContact O-OG 3.47Å; R123-P131 HydrophobicContact CB-CG 4.3Å
124	M	93.1	Very high	92.6	Very high	1 Å²	1	69 Å²	69	1%	0.005	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-67.6	-27.4	170.2	-63.5	-60.4	-67.9	0	0	112.4	L59 L116 F117 K121 E122 P131 R132 L135	L59-M124 HydrophobicContact CD2-CB 4.05Å; L59-M124 WeakPolarHBondContact CD2-O 3.38Å; L116-M124 HydrophobicContact CD2-CE 4.29Å; L116-M124 HydrophobicContact CG-CE 4.12Å; L116-M124 HydrophobicContact CG-SD 4.14Å; F117-M124 HydrophobicContact CD1-CB 4.31Å; F117-M124 HydrophobicContact CD1-CE 3.77Å; F117-M124 HydrophobicContact CD1-CG 3.88Å; F117-M124 HydrophobicContact CD2-CE 4.11Å; F117-M124 HydrophobicContact CE1-CB 4.25Å; F117-M124 HydrophobicContact CE1-CE 3.67Å; F117-M124 HydrophobicContact CE1-CG 4.25Å; F117-M124 HydrophobicContact CE2-CE 4.01Å; F117-M124 HydrophobicContact CG-CE 3.99Å; F117-M124 HydrophobicContact CZ-CE 3.79Å; K121-M124 WeakPolarHBondContact O-CB 3.44Å; K121-M124 WeakPolarHBondContact O-CG 3.43Å; K121-M124 PolarHBondContact O-N 2.99Å; E122-M124 PolarHBondContact O-N 3.46Å; E122-M124 VanDerWaalsContact O-N 3.14Å; M124-P131 HydrophobicContact SD-CB 3.42Å; M124-P131 WeakPolarHBondContact SD-CB 3.18Å; M124-R132 PolarHBondContact O-NH1 3.14Å; M124-L135 HydrophobicContact CE-CB 4.1Å; M124-L135 HydrophobicContact CE-CD2 3.97Å; M124-L135 HydrophobicContact CE-CG 4.5Å
125	Y	91.8	Very high	92.4	Very high	64 Å²	64	68.5 Å²	68.5	25%	0.251	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-23.2	-178.6	-45.4	-50.6	0	0	0	112.5	N56 K58 L59 E122 R123 E127	N56-Y125 WeakPolarHBondContact ND2-CE1 3.37Å; N56-Y125 PolarHBondContact ND2-OH 3.05Å; K58-Y125 HydrophobicContact CB-CD1 3.42Å; K58-Y125 VanDerWaalsContact CB-CD1 3.42Å; K58-Y125 HydrophobicContact CB-CD2 4.25Å; K58-Y125 HydrophobicContact CB-CE1 3.76Å; K58-Y125 HydrophobicContact CB-CG 3.73Å; K58-Y125 HydrophobicContact CD-CD1 4.35Å; K58-Y125 HydrophobicContact CD-CD2 3.81Å; K58-Y125 HydrophobicContact CD-CE1 4.28Å; K58-Y125 HydrophobicContact CD-CE2 3.72Å; K58-Y125 HydrophobicContact CD-CG 4.15Å; L59-Y125 HydrophobicContact CD2-CD1 3.71Å; L59-Y125 HydrophobicContact CD2-CE1 4.02Å; L59-Y125 HydrophobicContact CG-CD1 3.94Å; L59-Y125 HydrophobicContact CG-CE1 4.06Å; E122-Y125 HydrophobicContact CB-CD2 4.28Å; E122-Y125 HydrophobicContact CB-CE2 4.49Å; E122-Y125 WeakPolarHBondContact O-CB 3.25Å; E122-Y125 VanDerWaalsContact O-CD2 3.27Å; E122-Y125 WeakPolarHBondContact O-CD2 3.39Å; E122-Y125 PolarHBondContact O-N 2.88Å; E122-Y125 WeakPolarHBondContact OE1-CE2 3.11Å; E122-Y125 WeakPolarHBondContact OE2-CE2 3.32Å; R123-Y125 PolarHBondContact O-N 3.21Å; Y125-E127 PolarHBondContact O-N 3.23Å; Y125-E127 VanDerWaalsContact O-N 3.1Å
126	E	90.6	Very high	92.1	Very high	85 Å²	85	67.6 Å²	67.6	40%	0.397	31%	0.31	S	S	.	.	S	Bend	trans	-61.2	104.4	167.4	-70.7	168.2	-146.2	0	0	110.5	R123 N128 S129 R132	R123-E126 WeakPolarHBondContact CG-OE1 3.43Å; R123-E126 IonicContact CZ-OE2 3.92Å; R123-E126 IonicContact NE-OE1 2.57Å; R123-E126 PolarHBondContact NE-OE1 3.42Å; R123-E126 IonicContact NE-OE2 2.73Å; R123-E126 PolarHBondContact NE-OE2 2.93Å; R123-E126 IonicContact NH2-OE2 3.16Å; R123-E126 PolarHBondContact NH2-OE2 2.94Å; E126-N128 PolarHBondContact O-N 3.03Å; E126-S129 WeakPolarHBondContact O-CB 3.4Å; E126-S129 PolarHBondContact O-N 2.76Å; E126-S129 VanDerWaalsContact O-N 3.09Å; E126-S129 PolarHBondContact O-OG 2.85Å; E126-S129 VanDerWaalsContact OE2-CB 3.25Å; E126-S129 WeakPolarHBondContact OE2-CB 3.43Å; E126-R132 VanDerWaalsContact O-CB 3.32Å; E126-R132 WeakPolarHBondContact O-CB 3.47Å
127	E	85.1	Confident	91.8	Very high	104 Å²	104	69.9 Å²	69.9	49%	0.486	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-32.7	-175.6	-172.8	174.2	-155.8	0	0	113.7	K62 Y125 R132	K62-E127 IonicContact NZ-OE1 3.8Å; K62-E127 PolarHBondContact NZ-OE1 3.35Å; K62-E127 IonicContact NZ-OE2 2.68Å; Y125-E127 PolarHBondContact O-N 3.23Å; Y125-E127 VanDerWaalsContact O-N 3.1Å; E127-R132 VanDerWaalsContact O-CG 3.24Å; E127-R132 WeakPolarHBondContact O-CG 3.48Å
128	N	85.8	Confident	91.7	Very high	124 Å²	124	69.4 Å²	69.4	66%	0.663	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	2	-175.8	-79.8	-80.7	0	0	0	115	E126 R133	E126-N128 PolarHBondContact O-N 3.03Å; N128-R133 PolarHBondContact O-NE 3.36Å; N128-R133 PolarHBondContact O-NH2 2.94Å
129	S	92	Very high	91.6	Very high	7 Å²	7	63.1 Å²	63.1	5%	0.049	29%	0.291	C	S	.	.	S	Bend	trans	-74.3	162.6	-172.1	79.9	0	0	0	0	113.9	R123 E126 P131 R132 R133	R123-S129 WeakPolarHBondContact O-CB 3.49Å; R123-S129 PolarHBondContact O-OG 3.47Å; E126-S129 WeakPolarHBondContact O-CB 3.4Å; E126-S129 PolarHBondContact O-N 2.76Å; E126-S129 VanDerWaalsContact O-N 3.09Å; E126-S129 PolarHBondContact O-OG 2.85Å; E126-S129 VanDerWaalsContact OE2-CB 3.25Å; E126-S129 WeakPolarHBondContact OE2-CB 3.43Å; S129-P131 WeakPolarHBondContact OG-CD 3.35Å; S129-R132 PolarHBondContact O-N 3.06Å; S129-R132 VanDerWaalsContact OG-CB 3.28Å; S129-R132 WeakPolarHBondContact OG-CB 3.46Å; S129-R132 PolarHBondContact OG-N 2.94Å; S129-R133 WeakPolarHBondContact O-CG 3.45Å; S129-R133 PolarHBondContact O-N 3.45Å
130	Q	90.9	Very high	91.4	Very high	89 Å²	89	57.1 Å²	57.1	42%	0.416	26%	0.263	S	S	.	.	H	α-helix	trans	-66.6	-40.9	175.1	-165.8	57.5	37.4	0	0	113.1	R132 R133 N134	Q130-R132 VanDerWaalsContact C-N 3.32Å; Q130-R132 PolarHBondContact O-N 2.94Å; Q130-R133 PolarHBondContact O-N 2.86Å; Q130-N134 PolarHBondContact NE2-OD1 2.9Å; Q130-N134 WeakPolarHBondContact O-CB 3.34Å; Q130-N134 VanDerWaalsContact O-CG 3.25Å; Q130-N134 PolarHBondContact O-N 3.05Å; Q130-N134 PolarHBondContact O-OD1 2.83Å
131	P	93.4	Very high	91.6	Very high	20 Å²	20	57.5 Å²	57.5	13%	0.13	26%	0.264	C	S	.	.	H	α-helix	trans	-59.1	-40	171.2	-27	36.1	0	0	0	113.5	L116 R123 M124 S129 N134 L135	L116-P131 HydrophobicContact CD1-CB 4.13Å; R123-P131 HydrophobicContact CB-CG 4.3Å; M124-P131 HydrophobicContact SD-CB 3.42Å; M124-P131 WeakPolarHBondContact SD-CB 3.18Å; S129-P131 WeakPolarHBondContact OG-CD 3.35Å; P131-N134 PolarHBondContact O-N 2.87Å; P131-L135 PolarHBondContact O-N 3.46Å
132	R	90.8	Very high	91.7	Very high	18 Å²	18	50.7 Å²	50.7	7%	0.068	23%	0.234	C	C	.	.	H	α-helix	trans	-65.7	-42	176.7	-178.9	54.8	168.1	-94.6	-3.6	112.5	L59 M124 E126 E127 S129 Q130 N134 L135 T136	L59-R132 PolarHBondContact O-NH1 3.23Å; L59-R132 PolarHBondContact O-NH2 3.24Å; M124-R132 PolarHBondContact O-NH1 3.14Å; E126-R132 VanDerWaalsContact O-CB 3.32Å; E126-R132 WeakPolarHBondContact O-CB 3.47Å; E127-R132 VanDerWaalsContact O-CG 3.24Å; E127-R132 WeakPolarHBondContact O-CG 3.48Å; S129-R132 PolarHBondContact O-N 3.06Å; S129-R132 VanDerWaalsContact OG-CB 3.28Å; S129-R132 WeakPolarHBondContact OG-CB 3.46Å; S129-R132 PolarHBondContact OG-N 2.94Å; Q130-R132 VanDerWaalsContact C-N 3.32Å; Q130-R132 PolarHBondContact O-N 2.94Å; R132-N134 VanDerWaalsContact C-N 3.33Å; R132-N134 PolarHBondContact O-N 3.01Å; R132-L135 WeakPolarHBondContact O-CB 3.31Å; R132-L135 PolarHBondContact O-N 3.23Å; R132-T136 PolarHBondContact O-N 3.01Å; R132-T136 PolarHBondContact O-OG1 2.93Å
133	R	89.8	Confident	91.8	Very high	111 Å²	111	46 Å²	46	42%	0.419	21%	0.214	S	C	.	.	H	α-helix	trans	-62.4	-38.2	171.9	-70.1	170.6	-174.4	167.7	3.9	112.6	N128 S129 Q130 L135 T136 K137	N128-R133 PolarHBondContact O-NE 3.36Å; N128-R133 PolarHBondContact O-NH2 2.94Å; S129-R133 WeakPolarHBondContact O-CG 3.45Å; S129-R133 PolarHBondContact O-N 3.45Å; Q130-R133 PolarHBondContact O-N 2.86Å; R133-L135 VanDerWaalsContact C-N 3.29Å; R133-L135 PolarHBondContact O-N 3.19Å; R133-T136 WeakPolarHBondContact O-CB 3.48Å; R133-T136 PolarHBondContact O-N 3.29Å; R133-K137 WeakPolarHBondContact O-CG 3.39Å; R133-K137 PolarHBondContact O-N 2.63Å
134	N	91.7	Very high	91.8	Very high	57 Å²	57	40 Å²	40	31%	0.305	19%	0.192	S	C	.	.	H	α-helix	trans	-65.8	-33.1	175.4	-70.7	-2.3	0	0	0	111.5	L116 Q130 P131 R132 K137 L138	L116-N134 HydrophobicContact CD1-CB 3.97Å; L116-N134 HydrophobicContact CD2-CB 3.8Å; Q130-N134 PolarHBondContact NE2-OD1 2.9Å; Q130-N134 WeakPolarHBondContact O-CB 3.34Å; Q130-N134 VanDerWaalsContact O-CG 3.25Å; Q130-N134 PolarHBondContact O-N 3.05Å; Q130-N134 PolarHBondContact O-OD1 2.83Å; P131-N134 PolarHBondContact O-N 2.87Å; R132-N134 VanDerWaalsContact C-N 3.33Å; R132-N134 PolarHBondContact O-N 3.01Å; N134-K137 PolarHBondContact O-N 2.95Å; N134-L138 WeakPolarHBondContact O-CG 3.3Å; N134-L138 PolarHBondContact O-N 3.17Å
135	L	93.6	Very high	92	Very high	3 Å²	3	40 Å²	40	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-66.7	-40.5	170.6	-178.2	64.1	0	0	0	111.9	I68 T113 L116 F117 M124 P131 R132 R133 K137 L138 S139	I68-L135 HydrophobicContact CD1-CD1 4.27Å; T113-L135 HydrophobicContact CG2-CD1 3.9Å; L116-L135 HydrophobicContact CD2-CB 4.15Å; F117-L135 HydrophobicContact CE2-CD1 3.96Å; F117-L135 HydrophobicContact CE2-CD2 4.25Å; F117-L135 HydrophobicContact CZ-CD1 4.39Å; F117-L135 HydrophobicContact CZ-CD2 3.84Å; M124-L135 HydrophobicContact CE-CB 4.1Å; M124-L135 HydrophobicContact CE-CD2 3.97Å; M124-L135 HydrophobicContact CE-CG 4.5Å; P131-L135 PolarHBondContact O-N 3.46Å; R132-L135 WeakPolarHBondContact O-CB 3.31Å; R132-L135 PolarHBondContact O-N 3.23Å; R133-L135 VanDerWaalsContact C-N 3.29Å; R133-L135 PolarHBondContact O-N 3.19Å; L135-K137 VanDerWaalsContact C-N 3.35Å; L135-K137 PolarHBondContact O-N 3.11Å; L135-L138 PolarHBondContact O-N 2.95Å; L135-S139 WeakPolarHBondContact O-CB 3.4Å; L135-S139 PolarHBondContact O-N 3.08Å; L135-S139 PolarHBondContact O-OG 3.33Å
136	T	90.4	Very high	92.3	Very high	28 Å²	28	37.4 Å²	37.4	17%	0.172	18%	0.182	C	C	.	.	H	α-helix	trans	-60	-43.7	173.2	-50.9	0	0	0	0	111.5	R132 R133 S139 L140 T257	R132-T136 PolarHBondContact O-N 3.01Å; R132-T136 PolarHBondContact O-OG1 2.93Å; R133-T136 WeakPolarHBondContact O-CB 3.48Å; R133-T136 PolarHBondContact O-N 3.29Å; T136-S139 WeakPolarHBondContact O-CB 3.34Å; T136-S139 PolarHBondContact O-N 3.38Å; T136-L140 PolarHBondContact O-N 3.01Å; T136-T257 HydrophobicContact CG2-CG2 3.61Å
137	K	90.3	Very high	92.5	Very high	63 Å²	63	34.8 Å²	34.8	27%	0.274	18%	0.175	S	C	.	.	H	α-helix	trans	-60.2	-45.7	173.6	-70.5	179.5	177	-174.7	0	112.4	R133 N134 L135 S139 L140 I141 F255	R133-K137 WeakPolarHBondContact O-CG 3.39Å; R133-K137 PolarHBondContact O-N 2.63Å; N134-K137 PolarHBondContact O-N 2.95Å; L135-K137 VanDerWaalsContact C-N 3.35Å; L135-K137 PolarHBondContact O-N 3.11Å; K137-S139 VanDerWaalsContact C-N 3.28Å; K137-S139 PolarHBondContact O-N 2.95Å; K137-L140 WeakPolarHBondContact O-CB 3.38Å; K137-L140 PolarHBondContact O-N 3.03Å; K137-I141 WeakPolarHBondContact O-CG1 3.49Å; K137-I141 PolarHBondContact O-N 3.46Å; K137-F255 HydrophobicContact CG-CB 4.13Å
138	L	94.4	Very high	93.1	Very high	9 Å²	9	29.9 Å²	29.9	5%	0.047	15%	0.152	C	C	.	.	H	α-helix	trans	-63.1	-35.6	176.1	-75.5	162.6	0	0	0	111.9	K109 Q112 T113 L116 N134 L135 I141 F142	K109-L138 HydrophobicContact CD-CD2 4.35Å; Q112-L138 HydrophobicContact CG-CD2 4.45Å; T113-L138 HydrophobicContact CG2-CD1 4.42Å; L116-L138 HydrophobicContact CD2-CD1 3.69Å; N134-L138 WeakPolarHBondContact O-CG 3.3Å; N134-L138 PolarHBondContact O-N 3.17Å; L135-L138 PolarHBondContact O-N 2.95Å; L138-I141 PolarHBondContact O-N 3.29Å; L138-F142 HydrophobicContact CB-CE2 4.46Å; L138-F142 WeakPolarHBondContact O-CD2 3.49Å; L138-F142 PolarHBondContact O-N 3.02Å
139	S	93.9	Very high	93.6	Very high	9 Å²	9	24 Å²	24	6%	0.063	12%	0.121	C	C	.	.	H	α-helix	trans	-65.2	-39.8	174.7	-53.6	0	0	0	0	111.9	P66 L135 T136 K137 S143	P66-S139 WeakPolarHBondContact CB-O 3.47Å; L135-S139 WeakPolarHBondContact O-CB 3.4Å; L135-S139 PolarHBondContact O-N 3.08Å; L135-S139 PolarHBondContact O-OG 3.33Å; T136-S139 WeakPolarHBondContact O-CB 3.34Å; T136-S139 PolarHBondContact O-N 3.38Å; K137-S139 VanDerWaalsContact C-N 3.28Å; K137-S139 PolarHBondContact O-N 2.95Å; S139-S143 PolarHBondContact O-N 3.31Å
140	L	91.6	Very high	93.8	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.031	14%	0.135	C	C	.	.	H	α-helix	trans	-61.8	-46.8	170.7	-75	169.2	0	0	0	111.4	P66 T136 K137 F142 S143 H144 F255 C281	P66-L140 HydrophobicContact CB-CD2 4.46Å; P66-L140 HydrophobicContact CG-CB 4.42Å; P66-L140 HydrophobicContact CG-CD2 3.68Å; P66-L140 HydrophobicContact CG-CG 3.78Å; T136-L140 PolarHBondContact O-N 3.01Å; K137-L140 WeakPolarHBondContact O-CB 3.38Å; K137-L140 PolarHBondContact O-N 3.03Å; L140-F142 PolarHBondContact O-N 2.92Å; L140-S143 CarbonylContact O-C 3.52Å; L140-S143 WeakPolarHBondContact O-CA 3.24Å; L140-S143 VanDerWaalsContact O-CB 3.24Å; L140-S143 WeakPolarHBondContact O-CB 3.4Å; L140-S143 PolarHBondContact O-N 3.48Å; L140-H144 PolarHBondContact O-CD2 2.84Å; L140-H144 PolarHBondContact O-N 3.42Å; L140-F255 HydrophobicContact CB-CD1 4.4Å; L140-F255 HydrophobicContact CD1-CB 3.78Å; L140-F255 HydrophobicContact CD1-CD1 3.91Å; L140-F255 HydrophobicContact CD1-CG 4.35Å; L140-C281 HydrophobicContact CD2-CB 3.95Å
141	I	94.4	Very high	94	Very high	15 Å²	15	24.7 Å²	24.7	8%	0.077	13%	0.127	C	C	.	.	H	α-helix	trans	-58.5	-46.8	177.4	-68.4	167	0	0	0	111.2	K109 K137 L138 S143 H144 M145 C216	K109-I141 HydrophobicContact CD-CG2 4.27Å; K109-I141 HydrophobicContact CG-CG2 4.15Å; K137-I141 WeakPolarHBondContact O-CG1 3.49Å; K137-I141 PolarHBondContact O-N 3.46Å; L138-I141 PolarHBondContact O-N 3.29Å; I141-S143 PolarHBondContact O-N 2.63Å; I141-H144 PolarHBondContact O-N 3.5Å; I141-H144 VanDerWaalsContact O-N 3.16Å; I141-M145 HydrophobicContact CG2-CG 4.31Å; I141-M145 HydrophobicContact CG2-SD 3.98Å; I141-M145 WeakPolarHBondContact O-CB 3.3Å; I141-M145 VanDerWaalsContact O-CG 3.3Å; I141-M145 WeakPolarHBondContact O-CG 3.37Å; I141-M145 PolarHBondContact O-N 2.83Å; I141-C216 HydrophobicContact CD1-CB 4.42Å
142	F	96.4	Very high	94.2	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	12%	0.121	C	C	.	.	H	α-helix	trans	-60.6	-34.5	174.2	-72.1	-57.8	0	0	0	112.3	I68 L72 L106 K109 T110 T113 L138 L140 L146	I68-F142 HydrophobicContact CD1-CD2 3.77Å; I68-F142 HydrophobicContact CD1-CE2 3.89Å; I68-F142 HydrophobicContact CG1-CD2 4.2Å; L72-F142 HydrophobicContact CD2-CD1 3.94Å; L72-F142 HydrophobicContact CD2-CD2 4.47Å; L72-F142 HydrophobicContact CD2-CE1 4Å; L72-F142 HydrophobicContact CD2-CG 4.19Å; L72-F142 HydrophobicContact CD2-CZ 4.31Å; L106-F142 HydrophobicContact CD1-CD1 4.24Å; L106-F142 HydrophobicContact CD1-CE1 4.05Å; K109-F142 HydrophobicContact CB-CE1 3.86Å; K109-F142 HydrophobicContact CB-CZ 3.99Å; T110-F142 HydrophobicContact CG2-CE1 4.05Å; T110-F142 HydrophobicContact CG2-CZ 4.07Å; T113-F142 WeakPolarHBondContact OG1-CE2 3.28Å; L138-F142 HydrophobicContact CB-CE2 4.46Å; L138-F142 WeakPolarHBondContact O-CD2 3.49Å; L138-F142 PolarHBondContact O-N 3.02Å; L140-F142 PolarHBondContact O-N 2.92Å; F142-L146 VanDerWaalsContact O-CB 3.3Å; F142-L146 WeakPolarHBondContact O-CB 3.3Å; F142-L146 PolarHBondContact O-N 3.5Å
143	S	94.8	Very high	94.4	Very high	16 Å²	16	23 Å²	23	11%	0.112	12%	0.118	C	C	.	.	H	α-helix	trans	-67	-38.7	174.6	-159.5	0	0	0	0	112.7	S139 L140 I141 A147	S139-S143 PolarHBondContact O-N 3.31Å; L140-S143 CarbonylContact O-C 3.52Å; L140-S143 WeakPolarHBondContact O-CA 3.24Å; L140-S143 VanDerWaalsContact O-CB 3.24Å; L140-S143 WeakPolarHBondContact O-CB 3.4Å; L140-S143 PolarHBondContact O-N 3.48Å; I141-S143 PolarHBondContact O-N 2.63Å; S143-A147 WeakPolarHBondContact O-CB 3.46Å; S143-A147 PolarHBondContact O-N 3.33Å
144	H	94.2	Very high	94.7	Very high	10 Å²	10	19.2 Å²	19.2	5%	0.046	11%	0.108	C	C	.	.	H	α-helix	trans	-69.4	-46.7	175.3	-62	-48.4	0	0	0	111.2	L140 I141 L146 A147 E148 L214 L284	L140-H144 PolarHBondContact O-CD2 2.84Å; L140-H144 PolarHBondContact O-N 3.42Å; I141-H144 PolarHBondContact O-N 3.5Å; I141-H144 VanDerWaalsContact O-N 3.16Å; H144-L146 PolarHBondContact O-N 2.89Å; H144-A147 PolarHBondContact O-N 2.83Å; H144-E148 WeakPolarHBondContact O-CB 3.41Å; H144-E148 PolarHBondContact O-N 2.93Å; H144-L214 HydrophobicContact CB-CB 4.08Å; H144-L284 VanDerWaalsContact ND1-CD2 3.33Å; H144-L284 WeakPolarHBondContact ND1-CD2 3.42Å
145	M	97.1	Very high	94.7	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-57.9	-44.3	175.5	-71.6	-178.8	68.9	0	0	112.6	F102 N105 L106 K109 I141 L149 T215	F102-M145 HydrophobicContact CD2-CE 4.28Å; F102-M145 HydrophobicContact CE2-CB 3.94Å; F102-M145 HydrophobicContact CE2-CE 3.86Å; F102-M145 WeakPolarHBondContact CE2-O 3.43Å; F102-M145 HydrophobicContact CZ-CB 4.5Å; F102-M145 HydrophobicContact CZ-CE 4.16Å; N105-M145 HydrophobicContact CB-CE 4.1Å; N105-M145 WeakPolarHBondContact ND2-CE 3.46Å; L106-M145 HydrophobicContact CB-CE 3.89Å; L106-M145 HydrophobicContact CD1-CE 4.09Å; K109-M145 HydrophobicContact CG-SD 4.05Å; I141-M145 HydrophobicContact CG2-CG 4.31Å; I141-M145 HydrophobicContact CG2-SD 3.98Å; I141-M145 WeakPolarHBondContact O-CB 3.3Å; I141-M145 VanDerWaalsContact O-CG 3.3Å; I141-M145 WeakPolarHBondContact O-CG 3.37Å; I141-M145 PolarHBondContact O-N 2.83Å; M145-L149 WeakPolarHBondContact O-CB 3.27Å; M145-L149 PolarHBondContact O-N 3.15Å; M145-T215 HydrophobicContact CG-CG2 3.73Å
146	L	96.6	Very high	94.7	Very high	8 Å²	8	22.4 Å²	22.4	4%	0.042	13%	0.125	C	C	.	.	H	α-helix	trans	-64.6	-40.7	177.4	175.8	60.7	0	0	0	112.3	L71 D74 F142 H144 K150	L71-L146 HydrophobicContact CD2-CD2 3.63Å; D74-L146 HydrophobicContact CB-CD1 4.3Å; D74-L146 HydrophobicContact CB-CD2 3.67Å; F142-L146 VanDerWaalsContact O-CB 3.3Å; F142-L146 WeakPolarHBondContact O-CB 3.3Å; F142-L146 PolarHBondContact O-N 3.5Å; H144-L146 PolarHBondContact O-N 2.89Å; L146-K150 HydrophobicContact CD1-CD 4.1Å; L146-K150 HydrophobicContact CD1-CG 4.28Å; L146-K150 HydrophobicContact CG-CD 4.19Å; L146-K150 WeakPolarHBondContact O-CB 3.23Å; L146-K150 WeakPolarHBondContact O-CG 3.43Å; L146-K150 PolarHBondContact O-N 3.03Å
147	A	96.1	Very high	94.8	Very high	30 Å²	30	24.6 Å²	24.6	25%	0.248	14%	0.135	C	C	.	.	H	α-helix	trans	-70	-39.8	179.9	0	0	0	0	0	111.8	S143 H144 K150 A151 F223 L284	S143-A147 WeakPolarHBondContact O-CB 3.46Å; S143-A147 PolarHBondContact O-N 3.33Å; H144-A147 PolarHBondContact O-N 2.83Å; A147-K150 PolarHBondContact O-N 3.19Å; A147-A151 WeakPolarHBondContact O-CB 3.07Å; A147-A151 PolarHBondContact O-N 3.5Å; A147-F223 HydrophobicContact CB-CE1 4.49Å; A147-F223 HydrophobicContact CB-CZ 3.94Å; A147-L284 HydrophobicContact CB-CD1 3.37Å
148	E	96.7	Very high	95.1	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.009	13%	0.134	C	C	.	.	H	α-helix	trans	-60.7	-51.4	172	-174.1	-165.9	-118.2	0	0	110.8	Y98 H144 K150 A151 I152 S221 F223	Y98-E148 HydrophobicContact CE2-CG 4.05Å; Y98-E148 VanDerWaalsContact CE2-OE2 3.27Å; Y98-E148 WeakPolarHBondContact CE2-OE2 3.33Å; Y98-E148 VanDerWaalsContact OH-CD 3.28Å; Y98-E148 WeakPolarHBondContact OH-CG 3.37Å; Y98-E148 PolarHBondContact OH-OE2 2.85Å; H144-E148 WeakPolarHBondContact O-CB 3.41Å; H144-E148 PolarHBondContact O-N 2.93Å; E148-K150 VanDerWaalsContact C-N 3.29Å; E148-K150 PolarHBondContact O-N 2.77Å; E148-A151 CarbonylContact O-C 3.49Å; E148-A151 WeakPolarHBondContact O-CA 3.49Å; E148-A151 WeakPolarHBondContact O-CB 3.47Å; E148-A151 PolarHBondContact O-N 3.24Å; E148-I152 HydrophobicContact CG-CG1 4.24Å; E148-I152 WeakPolarHBondContact O-CG1 3.45Å; E148-I152 PolarHBondContact O-N 3.41Å; E148-S221 WeakPolarHBondContact OE1-CB 3.39Å; E148-S221 PolarHBondContact OE1-OG 3.12Å; E148-F223 HydrophobicContact CB-CD1 3.52Å; E148-F223 HydrophobicContact CB-CE1 3.58Å; E148-F223 HydrophobicContact CB-CG 4.33Å; E148-F223 HydrophobicContact CB-CZ 4.43Å; E148-F223 HydrophobicContact CG-CB 4.24Å; E148-F223 HydrophobicContact CG-CD1 3.62Å; E148-F223 HydrophobicContact CG-CE1 4.22Å; E148-F223 HydrophobicContact CG-CG 4.15Å
149	L	97.1	Very high	95	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-56.6	-44.3	178.8	-173.6	71.5	0	0	0	111.4	L79 I82 Y98 F102 M145 A151 I152 F153	L79-L149 HydrophobicContact CD2-CD2 3.97Å; L79-L149 HydrophobicContact CG-CD2 4.09Å; I82-L149 HydrophobicContact CD1-CD1 3.81Å; I82-L149 HydrophobicContact CD1-CD2 4.23Å; I82-L149 HydrophobicContact CD1-CG 4.06Å; Y98-L149 HydrophobicContact CE1-CD1 4.28Å; F102-L149 HydrophobicContact CD1-CD1 3.94Å; F102-L149 HydrophobicContact CD2-CD1 4.27Å; F102-L149 HydrophobicContact CE1-CD1 3.88Å; F102-L149 HydrophobicContact CE1-CD2 3.81Å; F102-L149 HydrophobicContact CE1-CG 4.31Å; F102-L149 HydrophobicContact CE2-CB 3.85Å; F102-L149 HydrophobicContact CE2-CD1 4.2Å; F102-L149 HydrophobicContact CE2-CD2 4.48Å; F102-L149 HydrophobicContact CE2-CG 4.39Å; F102-L149 HydrophobicContact CG-CD1 4.15Å; F102-L149 HydrophobicContact CZ-CB 3.92Å; F102-L149 HydrophobicContact CZ-CD1 4.03Å; F102-L149 HydrophobicContact CZ-CD2 3.71Å; F102-L149 HydrophobicContact CZ-CG 4.09Å; M145-L149 WeakPolarHBondContact O-CB 3.27Å; M145-L149 PolarHBondContact O-N 3.15Å; L149-A151 VanDerWaalsContact C-N 3.26Å; L149-A151 PolarHBondContact O-N 3.45Å; L149-I152 PolarHBondContact O-N 2.63Å; L149-F153 HydrophobicContact CD1-CD2 3.98Å; L149-F153 WeakPolarHBondContact O-CA 3.44Å; L149-F153 WeakPolarHBondContact O-CB 3.48Å; L149-F153 PolarHBondContact O-N 2.79Å
150	K	95.9	Very high	94.6	Very high	82 Å²	82	27.8 Å²	27.8	36%	0.357	15%	0.15	S	C	.	.	H	α-helix	trans	-65.5	-25.5	176.1	-77.3	175	175	177.4	0	113.7	D74 L146 A147 E148	D74-K150 IonicContact OD2-NZ 3.84Å; D74-K150 PolarHBondContact OD2-NZ 2.94Å; L146-K150 HydrophobicContact CD1-CD 4.1Å; L146-K150 HydrophobicContact CD1-CG 4.28Å; L146-K150 HydrophobicContact CG-CD 4.19Å; L146-K150 WeakPolarHBondContact O-CB 3.23Å; L146-K150 WeakPolarHBondContact O-CG 3.43Å; L146-K150 PolarHBondContact O-N 3.03Å; A147-K150 PolarHBondContact O-N 3.19Å; E148-K150 VanDerWaalsContact C-N 3.29Å; E148-K150 PolarHBondContact O-N 2.77Å
151	A	94.9	Very high	94.4	Very high	29 Å²	29	31.4 Å²	31.4	24%	0.24	17%	0.172	C	C	.	.	H	α-helix	trans	-88	-30.2	179	0	0	0	0	0	113.2	A147 E148 L149 F163 F223	A147-A151 WeakPolarHBondContact O-CB 3.07Å; A147-A151 PolarHBondContact O-N 3.5Å; E148-A151 CarbonylContact O-C 3.49Å; E148-A151 WeakPolarHBondContact O-CA 3.49Å; E148-A151 WeakPolarHBondContact O-CB 3.47Å; E148-A151 PolarHBondContact O-N 3.24Å; L149-A151 VanDerWaalsContact C-N 3.26Å; L149-A151 PolarHBondContact O-N 3.45Å; A151-F163 HydrophobicContact CB-CE2 4.24Å; A151-F223 HydrophobicContact CB-CD2 3.45Å; A151-F223 VanDerWaalsContact CB-CD2 3.45Å; A151-F223 HydrophobicContact CB-CE2 3.48Å; A151-F223 VanDerWaalsContact CB-CE2 3.48Å; A151-F223 HydrophobicContact CB-CG 4.33Å; A151-F223 HydrophobicContact CB-CZ 4.39Å
152	I	96.8	Very high	94	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-88.7	-28.3	176.3	-57.7	-51.5	0	0	0	112.2	Y98 E148 L149 P154 F158 Q159 F163 T182 V222 F223	Y98-I152 HydrophobicContact CD1-CB 4.15Å; Y98-I152 HydrophobicContact CD1-CG2 3.44Å; Y98-I152 VanDerWaalsContact CD1-CG2 3.44Å; Y98-I152 HydrophobicContact CE1-CB 3.78Å; Y98-I152 HydrophobicContact CE1-CG1 4.2Å; Y98-I152 HydrophobicContact CE1-CG2 3.61Å; Y98-I152 HydrophobicContact CE2-CG1 4.22Å; Y98-I152 HydrophobicContact CG-CG2 3.96Å; E148-I152 HydrophobicContact CG-CG1 4.24Å; E148-I152 WeakPolarHBondContact O-CG1 3.45Å; E148-I152 PolarHBondContact O-N 3.41Å; L149-I152 PolarHBondContact O-N 2.63Å; I152-P154 WeakPolarHBondContact O-CD 3.5Å; I152-F158 HydrophobicContact CG2-CD2 3.82Å; I152-F158 HydrophobicContact CG2-CE2 3.61Å; I152-Q159 PolarHBondContact O-N 3.4Å; I152-F163 HydrophobicContact CD1-CD2 4.06Å; I152-T182 HydrophobicContact CD1-CG2 3.77Å; I152-T182 HydrophobicContact CG1-CG2 4.2Å; I152-T182 HydrophobicContact CG2-CG2 3.76Å; I152-V222 HydrophobicContact CD1-CG1 3.94Å; I152-F223 HydrophobicContact CD1-CB 4.28Å
153	F	96.7	Very high	93.8	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	21%	0.206	C	C	.	.	S	Bend	trans	-118.7	55.5	173.5	-75.8	-91.1	0	0	0	113.4	H78 I82 Y86 L93 Y98 F99 L149 N155 G156 L157 F158	H78-F153 PolarHBondContact CE1-O 2.76Å; H78-F153 PolarHBondContact NE2-O 3.45Å; H78-F153 VanDerWaalsContact NE2-O 3.13Å; I82-F153 HydrophobicContact CD1-CB 3.62Å; I82-F153 HydrophobicContact CD1-CD1 4Å; I82-F153 HydrophobicContact CD1-CD2 3.94Å; I82-F153 HydrophobicContact CD1-CG 3.61Å; I82-F153 HydrophobicContact CG1-CB 3.82Å; I82-F153 HydrophobicContact CG1-CD1 3.86Å; I82-F153 HydrophobicContact CG1-CG 3.91Å; I82-F153 HydrophobicContact CG2-CD1 3.92Å; I82-F153 HydrophobicContact CG2-CE1 3.84Å; I82-F153 HydrophobicContact CG2-CZ 4.45Å; Y86-F153 HydrophobicContact CE2-CD1 4.28Å; Y86-F153 AromaticContact CE2-CE1 3.88Å; Y86-F153 HydrophobicContact CE2-CE1 3.88Å; L93-F153 HydrophobicContact CD1-CE1 3.85Å; L93-F153 HydrophobicContact CD1-CZ 3.78Å; Y98-F153 HydrophobicContact CD1-CD2 4.35Å; Y98-F153 AromaticContact CD1-CE2 3.82Å; Y98-F153 HydrophobicContact CD1-CE2 3.82Å; Y98-F153 HydrophobicContact CE1-CD2 4.12Å; Y98-F153 AromaticContact CE1-CE2 3.98Å; Y98-F153 HydrophobicContact CE1-CE2 3.98Å; F99-F153 HydrophobicContact CB-CE2 4.12Å; F99-F153 HydrophobicContact CB-CZ 4.02Å; F99-F153 AromaticContact CD2-CE2 3.94Å; F99-F153 HydrophobicContact CD2-CE2 3.94Å; F99-F153 HydrophobicContact CD2-CZ 4.02Å; F99-F153 HydrophobicContact CG-CE2 4.46Å; F99-F153 HydrophobicContact CG-CZ 4.3Å; L149-F153 HydrophobicContact CD1-CD2 3.98Å; L149-F153 WeakPolarHBondContact O-CA 3.44Å; L149-F153 WeakPolarHBondContact O-CB 3.48Å; L149-F153 PolarHBondContact O-N 2.79Å; F153-N155 PolarHBondContact O-N 3.02Å; F153-G156 WeakPolarHBondContact O-CA 3.5Å; F153-G156 PolarHBondContact O-N 3.44Å; F153-L157 CarbonylContact C-O 3.49Å; F153-L157 VanDerWaalsContact CA-O 3.29Å; F153-L157 WeakPolarHBondContact CA-O 3.34Å; F153-F158 HydrophobicContact CD1-CB 4.05Å; F153-F158 HydrophobicContact CD2-CD2 4.49Å; F153-F158 HydrophobicContact CE1-CB 3.65Å; F153-F158 HydrophobicContact CE1-CD2 4.16Å; F153-F158 HydrophobicContact CE1-CG 4.38Å; F153-F158 AromaticContact CE2-CD2 3.98Å; F153-F158 HydrophobicContact CE2-CD2 3.98Å; F153-F158 HydrophobicContact CZ-CB 4.12Å; F153-F158 AromaticContact CZ-CD2 3.78Å; F153-F158 HydrophobicContact CZ-CD2 3.78Å; F153-F158 HydrophobicContact CZ-CG 4.38Å
154	P	94.8	Very high	93.7	Very high	32 Å²	32	46.6 Å²	46.6	21%	0.208	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-55.3	129.6	176.2	25.9	-34.9	0	0	0	110.9	I152 G156 L157 Q159	I152-P154 WeakPolarHBondContact O-CD 3.5Å; P154-G156 PolarHBondContact O-N 2.95Å; P154-L157 WeakPolarHBondContact CD-O 3.36Å; P154-L157 PolarHBondContact O-N 2.89Å; P154-L157 VanDerWaalsContact O-N 3.1Å; P154-Q159 HydrophobicContact CG-CB 3.79Å; P154-Q159 VanDerWaalsContact CG-CD 3.44Å; P154-Q159 HydrophobicContact CG-CG 3.77Å
155	N	92.1	Very high	93.8	Very high	127 Å²	127	46.8 Å²	46.8	68%	0.679	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	54.1	21.4	-174.3	-57.6	-43	0	0	0	115.4	R85 F153	R85-N155 PolarHBondContact NE-O 3.47Å; F153-N155 PolarHBondContact O-N 3.02Å
156	G	92.9	Very high	93.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	84.2	8.7	-179.3	0	0	0	0	0	115.3	R85 Y86 F153 P154	R85-G156 WeakPolarHBondContact CB-O 3.47Å; Y86-G156 WeakPolarHBondContact CE2-O 3.43Å; F153-G156 WeakPolarHBondContact O-CA 3.5Å; F153-G156 PolarHBondContact O-N 3.44Å; P154-G156 PolarHBondContact O-N 2.95Å
157	L	93.9	Very high	93.2	Very high	74 Å²	74	53.6 Å²	53.6	39%	0.387	28%	0.278	S	S	.	.	S	Bend	trans	-109.5	132.4	179.6	-66.8	171.2	0	0	0	110.3	R85 F153 P154 Q159	R85-L157 HydrophobicContact CB-CD2 3.91Å; R85-L157 HydrophobicContact CG-CD2 4.06Å; R85-L157 HydrophobicContact CG-CG 4.26Å; F153-L157 CarbonylContact C-O 3.49Å; F153-L157 VanDerWaalsContact CA-O 3.29Å; F153-L157 WeakPolarHBondContact CA-O 3.34Å; P154-L157 WeakPolarHBondContact CD-O 3.36Å; P154-L157 PolarHBondContact O-N 2.89Å; P154-L157 VanDerWaalsContact O-N 3.1Å; L157-Q159 PolarHBondContact O-N 3.28Å
158	F	95.4	Very high	93	Very high	55 Å²	55	55.7 Å²	55.7	24%	0.241	30%	0.296	C	S	.	.			trans	-64.4	120.5	179.3	-176.8	-110.6	0	0	0	111.2	Y86 N96 I152 F153 V161 T182	Y86-F158 WeakPolarHBondContact OH-CB 3.19Å; Y86-F158 PolarHBondContact OH-N 2.89Å; N96-F158 WeakPolarHBondContact ND2-CD2 3.5Å; N96-F158 WeakPolarHBondContact ND2-CE1 3.44Å; N96-F158 VanDerWaalsContact ND2-CE2 3.31Å; N96-F158 WeakPolarHBondContact ND2-CE2 3.45Å; N96-F158 VanDerWaalsContact ND2-CZ 3.3Å; N96-F158 WeakPolarHBondContact ND2-CZ 3.34Å; I152-F158 HydrophobicContact CG2-CD2 3.82Å; I152-F158 HydrophobicContact CG2-CE2 3.61Å; F153-F158 HydrophobicContact CD1-CB 4.05Å; F153-F158 HydrophobicContact CD2-CD2 4.49Å; F153-F158 HydrophobicContact CE1-CB 3.65Å; F153-F158 HydrophobicContact CE1-CD2 4.16Å; F153-F158 HydrophobicContact CE1-CG 4.38Å; F153-F158 AromaticContact CE2-CD2 3.98Å; F153-F158 HydrophobicContact CE2-CD2 3.98Å; F153-F158 HydrophobicContact CZ-CB 4.12Å; F153-F158 AromaticContact CZ-CD2 3.78Å; F153-F158 HydrophobicContact CZ-CD2 3.78Å; F153-F158 HydrophobicContact CZ-CG 4.38Å; F158-V161 HydrophobicContact CE1-CG2 4.11Å; F158-T182 HydrophobicContact CE2-CG2 4.29Å; F158-T182 HydrophobicContact CZ-CG2 4.39Å; F158-T182 WeakPolarHBondContact CZ-OG1 3.4Å
159	Q	92.8	Very high	92.8	Very high	91 Å²	91	59.5 Å²	59.5	43%	0.425	32%	0.316	S	S	.	.			trans	-129.3	19.7	176.8	-67.4	-169.5	-1	0	0	111.9	I152 P154 L157 V161 S162 F163	I152-Q159 PolarHBondContact O-N 3.4Å; P154-Q159 HydrophobicContact CG-CB 3.79Å; P154-Q159 VanDerWaalsContact CG-CD 3.44Å; P154-Q159 HydrophobicContact CG-CG 3.77Å; L157-Q159 PolarHBondContact O-N 3.28Å; Q159-V161 PolarHBondContact O-N 3.23Å; Q159-S162 WeakPolarHBondContact CB-OG 3.47Å; Q159-S162 CarbonylContact O-C 3.47Å; Q159-S162 PolarHBondContact O-N 2.76Å; Q159-S162 VanDerWaalsContact O-N 3.14Å; Q159-S162 PolarHBondContact O-OG 3.18Å; Q159-F163 PolarHBondContact O-N 2.81Å
160	G	85.3	Confident	92.7	Very high	3 Å²	3	59.5 Å²	59.5	3%	0.031	32%	0.316	C	S	.	.	S	Bend	trans	-66.5	-17.5	-177	0	0	0	0	0	115.8	T182	G160-T182 WeakPolarHBondContact CA-OG1 3.36Å; G160-T182 PolarHBondContact O-OG1 3.22Å
161	V	87.1	Confident	92.6	Very high	82 Å²	82	56.9 Å²	56.9	50%	0.497	31%	0.31	S	S	.	.	S	Bend	trans	-80.2	-43.5	171.1	170.9	0	0	0	0	110.2	F158 Q159 F163 D180	F158-V161 HydrophobicContact CE1-CG2 4.11Å; Q159-V161 PolarHBondContact O-N 3.23Å; V161-F163 PolarHBondContact O-N 3.01Å; V161-D180 HydrophobicContact CG1-CB 3.83Å; V161-D180 HydrophobicContact CG2-CB 4.42Å
162	S	86.9	Confident	92.6	Very high	85 Å²	85	60.8 Å²	60.8	59%	0.594	32%	0.323	S	S	*	.	S	Bend	trans	-82.7	20.3	178.2	53.1	0	0	0	0	113.6	Q159 R164	Q159-S162 WeakPolarHBondContact CB-OG 3.47Å; Q159-S162 CarbonylContact O-C 3.47Å; Q159-S162 PolarHBondContact O-N 2.76Å; Q159-S162 VanDerWaalsContact O-N 3.14Å; Q159-S162 PolarHBondContact O-OG 3.18Å; S162-R164 PolarHBondContact O-N 3.22Å
163	F	92.9	Very high	92.5	Very high	43 Å²	43	60.8 Å²	60.8	19%	0.189	32%	0.323	C	S	.	.			trans	-75.9	120.3	-177.3	-178.3	-84.6	0	0	0	110.7	A151 I152 Q159 V161 I165 V222 F223 D226	A151-F163 HydrophobicContact CB-CE2 4.24Å; I152-F163 HydrophobicContact CD1-CD2 4.06Å; Q159-F163 PolarHBondContact O-N 2.81Å; V161-F163 PolarHBondContact O-N 3.01Å; F163-I165 HydrophobicContact CD1-CG1 4.27Å; F163-I165 HydrophobicContact CE1-CG1 4.2Å; F163-I165 PolarHBondContact O-N 3.36Å; F163-V222 HydrophobicContact CB-CG1 3.81Å; F163-V222 HydrophobicContact CB-CG2 4.48Å; F163-V222 HydrophobicContact CD1-CB 4.17Å; F163-V222 HydrophobicContact CD1-CG1 3.66Å; F163-V222 HydrophobicContact CD1-CG2 3.59Å; F163-V222 HydrophobicContact CD2-CG1 4.42Å; F163-V222 HydrophobicContact CE1-CG1 4.37Å; F163-V222 HydrophobicContact CE1-CG2 4.26Å; F163-V222 HydrophobicContact CG-CG1 3.69Å; F163-V222 HydrophobicContact CG-CG2 4.35Å; F163-F223 HydrophobicContact CE2-CB 4.22Å; F163-F223 AromaticContact CE2-CD2 3.96Å; F163-F223 HydrophobicContact CE2-CD2 3.96Å; F163-F223 HydrophobicContact CZ-CB 4.11Å; F163-F223 AromaticContact CZ-CD2 4Å; F163-F223 HydrophobicContact CZ-CD2 4Å; F163-D226 HydrophobicContact CE1-CB 3.88Å; F163-D226 HydrophobicContact CZ-CB 4.17Å
164	R	92.4	Very high	92.5	Very high	223 Å²	223	61.1 Å²	61.1	84%	0.842	32%	0.324	S	S	*	.			trans	-88.5	106.7	-179.4	-174.9	177.2	-179.6	177.7	2	111.5	S162	S162-R164 PolarHBondContact O-N 3.22Å
165	I	94.5	Very high	92.5	Very high	13 Å²	13	64.1 Å²	64.1	7%	0.067	34%	0.342	C	S	.	.			trans	-63.7	139.1	165	-65.7	158.6	0	0	0	109.5	F163 A170 A171 W174 V222 F225 D226	F163-I165 HydrophobicContact CD1-CG1 4.27Å; F163-I165 HydrophobicContact CE1-CG1 4.2Å; F163-I165 PolarHBondContact O-N 3.36Å; I165-A170 HydrophobicContact CG2-CB 3.97Å; I165-A171 HydrophobicContact CB-CB 3.86Å; I165-A171 HydrophobicContact CD1-CB 4.49Å; I165-A171 HydrophobicContact CG2-CB 4.13Å; I165-W174 HydrophobicContact CD1-CB 3.51Å; I165-W174 HydrophobicContact CD1-CD2 4.33Å; I165-W174 HydrophobicContact CD1-CG 3.78Å; I165-V222 HydrophobicContact CD1-CG2 3.73Å; I165-V222 HydrophobicContact CG1-CG2 3.86Å; I165-F225 HydrophobicContact CD1-CD1 3.82Å; I165-F225 HydrophobicContact CD1-CE1 3.98Å; I165-F225 HydrophobicContact CG1-CD1 4.44Å; I165-D226 HydrophobicContact CG1-CB 4.39Å; I165-D226 HydrophobicContact CG2-CB 4.48Å
166	T	92.7	Very high	92.7	Very high	87 Å²	87	64.4 Å²	64.4	53%	0.534	33%	0.334	S	S	.	.	S	Bend	trans	-80	-22.4	-170	-52	0	0	0	0	113.6	D226 R230	T166-D226 WeakPolarHBondContact CB-OD1 3.35Å; T166-D226 PolarHBondContact N-OD1 3.03Å; T166-D226 PolarHBondContact OG1-OD1 2.97Å; T166-R230 HydrophobicContact CG2-CG 4.39Å; T166-R230 WeakPolarHBondContact OG1-CD 3.17Å
167	K	89.8	Confident	92.8	Very high	66 Å²	66	66.1 Å²	66.1	29%	0.287	35%	0.348	S	S	.	.	S	Bend	trans	-107.3	127.5	179.4	-68.4	-59.8	-166.9	171.8	0	109.9	A170 A171 R230	K167-A170 HydrophobicContact CB-CB 3.99Å; K167-A170 PolarHBondContact O-N 3.4Å; K167-A171 WeakPolarHBondContact O-CB 3.42Å; K167-A171 PolarHBondContact O-N 3.43Å; K167-R230 HydrophobicContact CG-CG 4.49Å
168	A	92.3	Very high	92.9	Very high	75 Å²	75	63.3 Å²	63.3	62%	0.62	33%	0.333	S	S	*	.	H	α-helix	trans	-60.7	-52.8	-172	0	0	0	0	0	112.2	A170 A171 E172	A168-A170 VanDerWaalsContact C-N 3.28Å; A168-A170 PolarHBondContact O-N 3.3Å; A168-A171 WeakPolarHBondContact O-CB 3.47Å; A168-A171 PolarHBondContact O-N 3.49Å; A168-E172 PolarHBondContact O-N 2.92Å
169	D	92.5	Very high	92.8	Very high	82 Å²	82	62 Å²	62	44%	0.439	34%	0.335	S	S	.	.	H	α-helix	trans	-57.5	-40.6	179.7	-17	-53.6	0	0	0	112.1	F173 W235	D169-F173 WeakPolarHBondContact O-CB 3.27Å; D169-F173 PolarHBondContact O-N 3.03Å; D169-W235 HydrophobicContact CB-CB 3.82Å; D169-W235 VanDerWaalsContact CB-CD1 3.49Å; D169-W235 HydrophobicContact CB-CD2 4.41Å; D169-W235 HydrophobicContact CB-CG 3.65Å; D169-W235 WeakPolarHBondContact OD2-CB 3.36Å
170	A	94.1	Very high	92.8	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-68.6	-41.1	175.4	0	0	0	0	0	112.2	I165 K167 A168 E172 F173 W174 F225 T229 W235	I165-A170 HydrophobicContact CG2-CB 3.97Å; K167-A170 HydrophobicContact CB-CB 3.99Å; K167-A170 PolarHBondContact O-N 3.4Å; A168-A170 VanDerWaalsContact C-N 3.28Å; A168-A170 PolarHBondContact O-N 3.3Å; A170-E172 VanDerWaalsContact C-N 3.34Å; A170-F173 PolarHBondContact O-N 3.17Å; A170-W174 PolarHBondContact O-N 2.91Å; A170-F225 HydrophobicContact CB-CE1 3.85Å; A170-F225 HydrophobicContact CB-CZ 3.98Å; A170-F225 WeakPolarHBondContact O-CE1 3.34Å; A170-T229 HydrophobicContact CB-CG2 3.81Å; A170-W235 HydrophobicContact CB-CE3 3.82Å; A170-W235 HydrophobicContact CB-CZ3 4.04Å
171	A	93.9	Very high	93.3	Very high	27 Å²	27	69 Å²	69	22%	0.223	37%	0.368	C	S	.	.	H	α-helix	trans	-61.1	-45.8	174.8	0	0	0	0	0	110.8	I165 K167 A168 W174 T175	I165-A171 HydrophobicContact CB-CB 3.86Å; I165-A171 HydrophobicContact CD1-CB 4.49Å; I165-A171 HydrophobicContact CG2-CB 4.13Å; K167-A171 WeakPolarHBondContact O-CB 3.42Å; K167-A171 PolarHBondContact O-N 3.43Å; A168-A171 WeakPolarHBondContact O-CB 3.47Å; A168-A171 PolarHBondContact O-N 3.49Å; A171-W174 PolarHBondContact O-N 3.32Å; A171-T175 PolarHBondContact O-N 3.5Å; A171-T175 PolarHBondContact O-OG1 2.91Å
172	E	94.3	Very high	93.7	Very high	110 Å²	110	65.6 Å²	65.6	51%	0.514	35%	0.348	S	S	.	.	H	α-helix	trans	-63.3	-42	178	-160.3	-144.5	-157	0	0	111.8	A168 A170 R176	A168-E172 PolarHBondContact O-N 2.92Å; A170-E172 VanDerWaalsContact C-N 3.34Å; E172-R176 WeakPolarHBondContact O-CB 3.41Å; E172-R176 PolarHBondContact O-N 3.14Å; E172-R176 IonicContact OE1-CZ 3.37Å; E172-R176 IonicContact OE1-NH1 2.75Å; E172-R176 IonicContact OE1-NH2 3.09Å; E172-R176 PolarHBondContact OE1-NH2 3.04Å; E172-R176 IonicContact OE2-CZ 3.18Å; E172-R176 IonicContact OE2-NH1 3.28Å; E172-R176 PolarHBondContact OE2-NH1 3.26Å; E172-R176 IonicContact OE2-NH2 2.8Å; E172-R176 PolarHBondContact OE2-NH2 3.1Å
173	F	96.3	Very high	94.2	Very high	1 Å²	1	61.7 Å²	61.7	0%	0.004	32%	0.321	C	S	.	.	H	α-helix	trans	-56.6	-48.6	169.9	165.3	-92.5	0	0	0	112.2	D169 A170 R176 A177 F178 F189 S192 L193 F196 F225 W235	D169-F173 WeakPolarHBondContact O-CB 3.27Å; D169-F173 PolarHBondContact O-N 3.03Å; A170-F173 PolarHBondContact O-N 3.17Å; F173-R176 PolarHBondContact O-N 2.95Å; F173-A177 HydrophobicContact CE2-CB 4.33Å; F173-A177 HydrophobicContact CZ-CB 4.35Å; F173-A177 VanDerWaalsContact O-CB 3.28Å; F173-A177 WeakPolarHBondContact O-CB 3.37Å; F173-A177 PolarHBondContact O-N 3.14Å; F173-F178 AromaticContact CE1-CE2 3.85Å; F173-F178 HydrophobicContact CE1-CE2 3.85Å; F173-F178 HydrophobicContact CE1-CZ 4.37Å; F173-F178 HydrophobicContact CZ-CE2 4.21Å; F173-F178 HydrophobicContact CZ-CZ 4.28Å; F173-F189 HydrophobicContact CE1-CE2 4.38Å; F173-S192 WeakPolarHBondContact CE2-O 3.45Å; F173-L193 HydrophobicContact CE1-CD1 4.27Å; F173-L193 HydrophobicContact CE2-CD1 4.37Å; F173-L193 HydrophobicContact CZ-CB 4.23Å; F173-L193 HydrophobicContact CZ-CD1 3.9Å; F173-F196 HydrophobicContact CD2-CB 4.46Å; F173-F196 HydrophobicContact CD2-CD1 4.42Å; F173-F196 AromaticContact CD2-CD2 3.63Å; F173-F196 HydrophobicContact CD2-CD2 3.63Å; F173-F196 AromaticContact CD2-CE2 3.94Å; F173-F196 HydrophobicContact CD2-CE2 3.94Å; F173-F196 AromaticContact CD2-CG 3.91Å; F173-F196 HydrophobicContact CD2-CG 3.91Å; F173-F196 HydrophobicContact CD2-CZ 4.47Å; F173-F196 AromaticContact CE2-CD2 3.6Å; F173-F196 HydrophobicContact CE2-CD2 3.6Å; F173-F196 HydrophobicContact CE2-CE2 4.09Å; F173-F196 HydrophobicContact CE2-CG 4.17Å; F173-F225 HydrophobicContact CD1-CE1 4.15Å; F173-F225 HydrophobicContact CD1-CE2 4.01Å; F173-F225 AromaticContact CD1-CZ 3.43Å; F173-F225 HydrophobicContact CD1-CZ 3.43Å; F173-F225 VanDerWaalsContact CD1-CZ 3.43Å; F173-F225 AromaticContact CE1-CE2 3.93Å; F173-F225 HydrophobicContact CE1-CE2 3.93Å; F173-F225 AromaticContact CE1-CZ 3.84Å; F173-F225 HydrophobicContact CE1-CZ 3.84Å; F173-F225 HydrophobicContact CG-CZ 4.48Å; F173-W235 HydrophobicContact CB-CH2 3.77Å; F173-W235 HydrophobicContact CB-CZ2 3.55Å; F173-W235 AromaticContact CD1-CH2 3.63Å; F173-W235 HydrophobicContact CD1-CH2 3.63Å; F173-W235 HydrophobicContact CD1-CZ2 4.21Å; F173-W235 AromaticContact CD2-CH2 3.98Å; F173-W235 HydrophobicContact CD2-CH2 3.98Å; F173-W235 AromaticContact CD2-CZ2 3.82Å; F173-W235 HydrophobicContact CD2-CZ2 3.82Å; F173-W235 HydrophobicContact CE1-CH2 4.2Å; F173-W235 AromaticContact CG-CH2 3.5Å; F173-W235 HydrophobicContact CG-CH2 3.5Å; F173-W235 VanDerWaalsContact CG-CH2 3.5Å; F173-W235 AromaticContact CG-CZ2 3.58Å; F173-W235 HydrophobicContact CG-CZ2 3.58Å
174	W	96.2	Very high	94.4	Very high	8 Å²	8	59.8 Å²	59.8	3%	0.03	31%	0.313	C	S	.	.	H	α-helix	trans	-64.5	-46.8	-177.3	-170.5	-81.9	0	0	0	111.6	I165 A170 A171 R176 A177 F178 G179 K181 V184 F189 I220 V222 F225	I165-W174 HydrophobicContact CD1-CB 3.51Å; I165-W174 HydrophobicContact CD1-CD2 4.33Å; I165-W174 HydrophobicContact CD1-CG 3.78Å; A170-W174 PolarHBondContact O-N 2.91Å; A171-W174 PolarHBondContact O-N 3.32Å; W174-R176 VanDerWaalsContact C-N 3.34Å; W174-R176 PolarHBondContact O-N 3.38Å; W174-A177 PolarHBondContact O-N 3.21Å; W174-F178 AromaticContact CD2-CD2 3.6Å; W174-F178 HydrophobicContact CD2-CD2 3.6Å; W174-F178 HydrophobicContact CD2-CE2 4.22Å; W174-F178 AromaticContact CE2-CD2 3.87Å; W174-F178 AromaticContact CE3-CD2 3.65Å; W174-F178 HydrophobicContact CE3-CD2 3.65Å; W174-F178 AromaticContact CE3-CE2 3.78Å; W174-F178 HydrophobicContact CE3-CE2 3.78Å; W174-F178 HydrophobicContact CG-CD2 4.07Å; W174-F178 HydrophobicContact CH2-CD2 4.28Å; W174-F178 HydrophobicContact CZ2-CD2 4.22Å; W174-F178 HydrophobicContact CZ3-CD2 4Å; W174-F178 AromaticContact CZ3-CE2 3.97Å; W174-F178 HydrophobicContact CZ3-CE2 3.97Å; W174-F178 PolarHBondContact O-N 3.4Å; W174-G179 PolarHBondContact O-N 3.45Å; W174-K181 WeakPolarHBondContact CZ2-O 3.22Å; W174-K181 PolarHBondContact NE1-O 3.19Å; W174-V184 HydrophobicContact CH2-CG2 3.84Å; W174-V184 HydrophobicContact CZ2-CG2 4.43Å; W174-V184 HydrophobicContact CZ3-CG2 4.44Å; W174-F189 HydrophobicContact CZ3-CD2 4.12Å; W174-F189 HydrophobicContact CZ3-CE2 4.01Å; W174-I220 HydrophobicContact CZ3-CG2 4.39Å; W174-V222 HydrophobicContact CD2-CB 4.45Å; W174-V222 HydrophobicContact CD2-CG2 4.07Å; W174-V222 HydrophobicContact CG-CG2 4.26Å; W174-V222 HydrophobicContact CH2-CB 4.29Å; W174-V222 HydrophobicContact CZ2-CB 3.68Å; W174-V222 HydrophobicContact CZ2-CG2 4.19Å; W174-F225 HydrophobicContact CB-CD1 4.47Å; W174-F225 HydrophobicContact CB-CE1 4.12Å; W174-F225 HydrophobicContact CD2-CD1 4.18Å; W174-F225 HydrophobicContact CE3-CB 3.88Å; W174-F225 AromaticContact CE3-CD1 3.39Å; W174-F225 HydrophobicContact CE3-CD1 3.39Å; W174-F225 HydrophobicContact CE3-CD2 4.22Å; W174-F225 AromaticContact CE3-CE1 3.91Å; W174-F225 HydrophobicContact CE3-CE1 3.91Å; W174-F225 AromaticContact CE3-CG 3.55Å; W174-F225 HydrophobicContact CE3-CG 3.55Å; W174-F225 HydrophobicContact CH2-CB 4.43Å; W174-F225 HydrophobicContact CZ3-CB 3.56Å; W174-F225 HydrophobicContact CZ3-CD1 4.01Å; W174-F225 HydrophobicContact CZ3-CD2 4.28Å; W174-F225 AromaticContact CZ3-CG 3.69Å; W174-F225 HydrophobicContact CZ3-CG 3.69Å
175	T	94.7	Very high	94.6	Very high	95 Å²	95	51 Å²	51	58%	0.583	29%	0.285	S	S	*	.	H	α-helix	trans	-62	-40.5	175.9	-59.8	0	0	0	0	111.6	A171 G179	A171-T175 PolarHBondContact O-N 3.5Å; A171-T175 PolarHBondContact O-OG1 2.91Å; T175-G179 VanDerWaalsContact O-CA 3.27Å; T175-G179 WeakPolarHBondContact O-CA 3.27Å; T175-G179 PolarHBondContact O-N 3.2Å
176	R	95.3	Very high	94.7	Very high	133 Å²	133	51.6 Å²	51.6	50%	0.502	29%	0.286	S	S	.	.	H	α-helix	trans	-66.9	-42.6	177.7	-177.7	-171.6	-74.8	114.6	-7.6	113	E172 F173 W174	E172-R176 WeakPolarHBondContact O-CB 3.41Å; E172-R176 PolarHBondContact O-N 3.14Å; E172-R176 IonicContact OE1-CZ 3.37Å; E172-R176 IonicContact OE1-NH1 2.75Å; E172-R176 IonicContact OE1-NH2 3.09Å; E172-R176 PolarHBondContact OE1-NH2 3.04Å; E172-R176 IonicContact OE2-CZ 3.18Å; E172-R176 IonicContact OE2-NH1 3.28Å; E172-R176 PolarHBondContact OE2-NH1 3.26Å; E172-R176 IonicContact OE2-NH2 2.8Å; E172-R176 PolarHBondContact OE2-NH2 3.1Å; F173-R176 PolarHBondContact O-N 2.95Å; W174-R176 VanDerWaalsContact C-N 3.34Å; W174-R176 PolarHBondContact O-N 3.38Å
177	A	95.4	Very high	94.8	Very high	36 Å²	36	54 Å²	54	30%	0.298	29%	0.289	S	S	.	.	H	α-helix	trans	-87	-34.2	-173.6	0	0	0	0	0	113.8	F173 W174	F173-A177 HydrophobicContact CE2-CB 4.33Å; F173-A177 HydrophobicContact CZ-CB 4.35Å; F173-A177 VanDerWaalsContact O-CB 3.28Å; F173-A177 WeakPolarHBondContact O-CB 3.37Å; F173-A177 PolarHBondContact O-N 3.14Å; W174-A177 PolarHBondContact O-N 3.21Å
178	F	95.9	Very high	95.1	Very high	15 Å²	15	53.9 Å²	53.9	7%	0.066	29%	0.294	C	S	.	.	H	α-helix	trans	-129.5	-13	-169.7	-45.2	-54.8	0	0	0	114.2	F173 W174 K181 V184 V188 F189	F173-F178 AromaticContact CE1-CE2 3.85Å; F173-F178 HydrophobicContact CE1-CE2 3.85Å; F173-F178 HydrophobicContact CE1-CZ 4.37Å; F173-F178 HydrophobicContact CZ-CE2 4.21Å; F173-F178 HydrophobicContact CZ-CZ 4.28Å; W174-F178 AromaticContact CD2-CD2 3.6Å; W174-F178 HydrophobicContact CD2-CD2 3.6Å; W174-F178 HydrophobicContact CD2-CE2 4.22Å; W174-F178 AromaticContact CE2-CD2 3.87Å; W174-F178 AromaticContact CE3-CD2 3.65Å; W174-F178 HydrophobicContact CE3-CD2 3.65Å; W174-F178 AromaticContact CE3-CE2 3.78Å; W174-F178 HydrophobicContact CE3-CE2 3.78Å; W174-F178 HydrophobicContact CG-CD2 4.07Å; W174-F178 HydrophobicContact CH2-CD2 4.28Å; W174-F178 HydrophobicContact CZ2-CD2 4.22Å; W174-F178 HydrophobicContact CZ3-CD2 4Å; W174-F178 AromaticContact CZ3-CE2 3.97Å; W174-F178 HydrophobicContact CZ3-CE2 3.97Å; W174-F178 PolarHBondContact O-N 3.4Å; F178-K181 HydrophobicContact CB-CB 4.2Å; F178-K181 HydrophobicContact CB-CD 4.43Å; F178-K181 WeakPolarHBondContact O-CB 3.35Å; F178-K181 WeakPolarHBondContact O-CD 3.41Å; F178-K181 VanDerWaalsContact O-CG 3.28Å; F178-K181 WeakPolarHBondContact O-CG 3.48Å; F178-V184 HydrophobicContact CB-CG1 4.16Å; F178-V184 HydrophobicContact CD1-CG1 3.91Å; F178-V184 HydrophobicContact CE1-CG1 4.49Å; F178-V184 HydrophobicContact CE2-CG2 4.44Å; F178-V184 HydrophobicContact CG-CG1 3.95Å; F178-V184 HydrophobicContact CZ-CG2 4.44Å; F178-V188 HydrophobicContact CE1-CG1 4.31Å; F178-F189 AromaticContact CE2-CD2 3.86Å; F178-F189 HydrophobicContact CE2-CD2 3.86Å; F178-F189 HydrophobicContact CE2-CE2 4.29Å; F178-F189 AromaticContact CZ-CD2 3.85Å; F178-F189 HydrophobicContact CZ-CD2 3.85Å
179	G	93	Very high	95.4	Very high	28 Å²	28	50.3 Å²	50.3	29%	0.289	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	-135.9	-175.7	0	0	0	0	0	112.1	W174 T175 K181	W174-G179 PolarHBondContact O-N 3.45Å; T175-G179 VanDerWaalsContact O-CA 3.27Å; T175-G179 WeakPolarHBondContact O-CA 3.27Å; T175-G179 PolarHBondContact O-N 3.2Å; G179-K181 PolarHBondContact O-N 3.31Å
180	D	92.6	Very high	95.4	Very high	123 Å²	123	50.8 Å²	50.8	66%	0.658	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	6.9	-176.5	-64.7	-24	0	0	0	114.9	V161 T182	V161-D180 HydrophobicContact CG1-CB 3.83Å; V161-D180 HydrophobicContact CG2-CB 4.42Å; D180-T182 PolarHBondContact O-N 3.13Å
181	K	95.7	Very high	95.4	Very high	116 Å²	116	57 Å²	57	50%	0.504	29%	0.289	S	S	.	.			trans	-70.2	121.8	-177.1	-71.4	178.3	-175.8	178.1	0	111.6	W174 F178 G179 V184	W174-K181 WeakPolarHBondContact CZ2-O 3.22Å; W174-K181 PolarHBondContact NE1-O 3.19Å; F178-K181 HydrophobicContact CB-CB 4.2Å; F178-K181 HydrophobicContact CB-CD 4.43Å; F178-K181 WeakPolarHBondContact O-CB 3.35Å; F178-K181 WeakPolarHBondContact O-CD 3.41Å; F178-K181 VanDerWaalsContact O-CG 3.28Å; F178-K181 WeakPolarHBondContact O-CG 3.48Å; G179-K181 PolarHBondContact O-N 3.31Å; K181-V184 HydrophobicContact CB-CG1 4.18Å; K181-V184 HydrophobicContact CD-CG1 4.02Å
182	T	96.6	Very high	95.5	Very high	11 Å²	11	56.6 Å²	56.6	7%	0.067	28%	0.284	C	S	.	.	S	Bend	trans	-72.6	-27.3	174.4	-50.7	0	0	0	0	113.5	Y98 I152 F158 G160 D180 S221 V222	Y98-T182 HydrophobicContact CD2-CG2 4.36Å; Y98-T182 HydrophobicContact CG-CG2 4.25Å; I152-T182 HydrophobicContact CD1-CG2 3.77Å; I152-T182 HydrophobicContact CG1-CG2 4.2Å; I152-T182 HydrophobicContact CG2-CG2 3.76Å; F158-T182 HydrophobicContact CE2-CG2 4.29Å; F158-T182 HydrophobicContact CZ-CG2 4.39Å; F158-T182 WeakPolarHBondContact CZ-OG1 3.4Å; G160-T182 WeakPolarHBondContact CA-OG1 3.36Å; G160-T182 PolarHBondContact O-OG1 3.22Å; D180-T182 PolarHBondContact O-N 3.13Å; T182-S221 WeakPolarHBondContact O-CA 3.33Å; T182-V222 HydrophobicContact CG2-CG1 4.15Å; T182-V222 PolarHBondContact O-N 2.88Å
183	I	97.1	Very high	95.4	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	145	-175	-168.3	164.1	0	0	0	110.2	E97 Y98 V101 Y219 I220	E97-I183 HydrophobicContact CG-CG2 4.1Å; Y98-I183 HydrophobicContact CD2-CB 4.32Å; Y98-I183 HydrophobicContact CD2-CD1 3.97Å; V101-I183 HydrophobicContact CB-CD1 4.34Å; V101-I183 HydrophobicContact CG1-CD1 3.96Å; I183-Y219 HydrophobicContact CD1-CD1 4.34Å; I183-Y219 HydrophobicContact CD1-CG 4.2Å; I183-Y219 HydrophobicContact CG1-CD1 4.05Å; I183-Y219 HydrophobicContact CG1-CG 4.24Å; I183-I220 WeakPolarHBondContact CA-O 3.44Å
184	V	97.5	Very high	95.1	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.018	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146	179.3	-72.3	0	0	0	0	111.5	W174 F178 K181 F189 Y219 I220	W174-V184 HydrophobicContact CH2-CG2 3.84Å; W174-V184 HydrophobicContact CZ2-CG2 4.43Å; W174-V184 HydrophobicContact CZ3-CG2 4.44Å; F178-V184 HydrophobicContact CB-CG1 4.16Å; F178-V184 HydrophobicContact CD1-CG1 3.91Å; F178-V184 HydrophobicContact CE1-CG1 4.49Å; F178-V184 HydrophobicContact CE2-CG2 4.44Å; F178-V184 HydrophobicContact CG-CG1 3.95Å; F178-V184 HydrophobicContact CZ-CG2 4.44Å; K181-V184 HydrophobicContact CB-CG1 4.18Å; K181-V184 HydrophobicContact CD-CG1 4.02Å; V184-F189 HydrophobicContact CG2-CB 3.92Å; V184-F189 HydrophobicContact CG2-CD2 4.18Å; V184-Y219 CarbonylContact O-C 3.57Å; V184-Y219 VanDerWaalsContact O-CA 3.29Å; V184-Y219 WeakPolarHBondContact O-CA 3.42Å; V184-Y219 WeakPolarHBondContact O-CB 3.44Å; V184-I220 HydrophobicContact CG2-CB 4.41Å; V184-I220 PolarHBondContact N-O 3.24Å; V184-I220 PolarHBondContact O-N 2.88Å
185	P	97.4	Very high	94.7	Very high	39 Å²	39	60.8 Å²	60.8	25%	0.253	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	141.8	175.5	-19.9	31	0	0	0	111.7	K187 V188 F189 Y219	P185-K187 PolarHBondContact O-N 2.63Å; P185-V188 HydrophobicContact CB-CG2 4.35Å; P185-V188 HydrophobicContact CG-CG2 4.33Å; P185-V188 PolarHBondContact O-N 3.24Å; P185-F189 PolarHBondContact O-N 3.1Å; P185-F189 VanDerWaalsContact O-N 3.07Å; P185-Y219 HydrophobicContact CB-CD1 4.3Å; P185-Y219 HydrophobicContact CB-CE1 4.25Å; P185-Y219 HydrophobicContact CG-CD1 4.12Å; P185-Y219 HydrophobicContact CG-CE1 3.81Å
186	W	96	Very high	94.3	Very high	25 Å²	25	60.5 Å²	60.5	10%	0.095	30%	0.295	C	S	.	.	H	α-helix	trans	-50.4	-37.7	-178.9	165.9	-108.3	0	0	0	113.7	V188 F189 R190 A205 L208 K209 I212 D218 I220	W186-V188 VanDerWaalsContact C-N 3.32Å; W186-V188 PolarHBondContact O-N 3.43Å; W186-F189 AromaticContact CE3-CD1 3.97Å; W186-F189 HydrophobicContact CE3-CD1 3.97Å; W186-F189 AromaticContact CZ3-CD1 3.73Å; W186-F189 HydrophobicContact CZ3-CD1 3.73Å; W186-F189 HydrophobicContact CZ3-CE1 4.12Å; W186-F189 PolarHBondContact O-N 3.05Å; W186-R190 HydrophobicContact CD2-CB 4.48Å; W186-R190 HydrophobicContact CH2-CB 4.29Å; W186-R190 HydrophobicContact CH2-CG 4.47Å; W186-R190 HydrophobicContact CZ2-CB 3.94Å; W186-R190 HydrophobicContact CZ2-CG 4Å; W186-R190 VanDerWaalsContact O-CB 3.26Å; W186-R190 WeakPolarHBondContact O-CB 3.27Å; W186-R190 PolarHBondContact O-N 3.46Å; W186-A205 HydrophobicContact CZ2-CB 4.31Å; W186-A205 WeakPolarHBondContact CZ2-O 3.33Å; W186-L208 HydrophobicContact CH2-CB 4.43Å; W186-L208 HydrophobicContact CH2-CD2 4.23Å; W186-L208 HydrophobicContact CH2-CG 4.15Å; W186-K209 HydrophobicContact CD2-CB 3.99Å; W186-K209 HydrophobicContact CD2-CD 3.89Å; W186-K209 HydrophobicContact CD2-CG 3.64Å; W186-K209 HydrophobicContact CE3-CB 4.1Å; W186-K209 HydrophobicContact CE3-CG 3.85Å; W186-K209 HydrophobicContact CG-CD 3.81Å; W186-K209 HydrophobicContact CG-CG 4.05Å; W186-K209 HydrophobicContact CH2-CB 3.82Å; W186-K209 HydrophobicContact CH2-CG 4.47Å; W186-K209 HydrophobicContact CZ2-CB 3.69Å; W186-K209 HydrophobicContact CZ2-CG 4.31Å; W186-K209 HydrophobicContact CZ3-CB 4.01Å; W186-K209 HydrophobicContact CZ3-CG 4.24Å; W186-I212 HydrophobicContact CZ3-CG2 4.01Å; W186-D218 WeakPolarHBondContact CB-O 3.5Å; W186-D218 PolarHBondContact N-O 2.85Å; W186-I220 HydrophobicContact CE3-CD1 3.93Å; W186-I220 HydrophobicContact CE3-CG1 3.94Å; W186-I220 HydrophobicContact CZ3-CD1 4.39Å
187	K	94.6	Very high	93.9	Very high	136 Å²	136	55.2 Å²	55.2	59%	0.591	28%	0.276	S	S	*	.	H	α-helix	trans	-59.3	-41.9	178	-67.6	178.8	179.9	174.5	0	112.5	H29 P185 Q191	H29-K187 PolarHBondContact NE2-NZ 3.2Å; H29-K187 VanDerWaalsContact NE2-NZ 3.19Å; P185-K187 PolarHBondContact O-N 2.63Å; K187-Q191 PolarHBondContact O-N 3.44Å
188	V	96.3	Very high	93.1	Very high	65 Å²	65	59.5 Å²	59.5	39%	0.394	29%	0.294	S	S	.	.	H	α-helix	trans	-74.3	-47.9	-179.7	-176.9	0	0	0	0	109.5	F178 P185 W186 R190 Q191 S192	F178-V188 HydrophobicContact CE1-CG1 4.31Å; P185-V188 HydrophobicContact CB-CG2 4.35Å; P185-V188 HydrophobicContact CG-CG2 4.33Å; P185-V188 PolarHBondContact O-N 3.24Å; W186-V188 VanDerWaalsContact C-N 3.32Å; W186-V188 PolarHBondContact O-N 3.43Å; V188-R190 VanDerWaalsContact C-N 3.33Å; V188-R190 PolarHBondContact O-N 2.95Å; V188-Q191 PolarHBondContact O-N 3.08Å; V188-Q191 VanDerWaalsContact O-N 3.09Å; V188-S192 PolarHBondContact O-N 2.9Å; V188-S192 VanDerWaalsContact O-N 3.15Å
189	F	97.1	Very high	92.5	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-55.4	-46.4	176.9	179.4	-95.3	0	0	0	112.4	F173 W174 F178 V184 P185 W186 Q191 L193 I212 I220 F225	F173-F189 HydrophobicContact CE1-CE2 4.38Å; W174-F189 HydrophobicContact CZ3-CD2 4.12Å; W174-F189 HydrophobicContact CZ3-CE2 4.01Å; F178-F189 AromaticContact CE2-CD2 3.86Å; F178-F189 HydrophobicContact CE2-CD2 3.86Å; F178-F189 HydrophobicContact CE2-CE2 4.29Å; F178-F189 AromaticContact CZ-CD2 3.85Å; F178-F189 HydrophobicContact CZ-CD2 3.85Å; V184-F189 HydrophobicContact CG2-CB 3.92Å; V184-F189 HydrophobicContact CG2-CD2 4.18Å; P185-F189 PolarHBondContact O-N 3.1Å; P185-F189 VanDerWaalsContact O-N 3.07Å; W186-F189 AromaticContact CE3-CD1 3.97Å; W186-F189 HydrophobicContact CE3-CD1 3.97Å; W186-F189 AromaticContact CZ3-CD1 3.73Å; W186-F189 HydrophobicContact CZ3-CD1 3.73Å; W186-F189 HydrophobicContact CZ3-CE1 4.12Å; W186-F189 PolarHBondContact O-N 3.05Å; F189-Q191 VanDerWaalsContact C-N 3.3Å; F189-Q191 PolarHBondContact O-N 3.15Å; F189-L193 HydrophobicContact CE1-CB 4.36Å; F189-L193 HydrophobicContact CE1-CD2 3.71Å; F189-L193 HydrophobicContact CZ-CD1 4.46Å; F189-L193 HydrophobicContact CZ-CD2 3.97Å; F189-L193 VanDerWaalsContact O-CB 3.27Å; F189-L193 WeakPolarHBondContact O-CB 3.18Å; F189-L193 PolarHBondContact O-N 2.86Å; F189-I212 HydrophobicContact CE1-CD1 3.81Å; F189-I212 HydrophobicContact CE2-CD1 4.47Å; F189-I212 HydrophobicContact CZ-CD1 3.62Å; F189-I220 HydrophobicContact CB-CB 4.35Å; F189-I220 HydrophobicContact CB-CG1 4.04Å; F189-I220 HydrophobicContact CD1-CB 4.47Å; F189-I220 HydrophobicContact CD1-CG1 3.81Å; F189-I220 HydrophobicContact CD2-CB 4.19Å; F189-I220 HydrophobicContact CD2-CG1 4.4Å; F189-I220 HydrophobicContact CD2-CG2 3.98Å; F189-I220 HydrophobicContact CE1-CG1 4.4Å; F189-I220 HydrophobicContact CE2-CG2 4.04Å; F189-I220 HydrophobicContact CG-CB 4.06Å; F189-I220 HydrophobicContact CG-CG1 3.8Å; F189-I220 HydrophobicContact CG-CG2 4.23Å; F189-I220 HydrophobicContact CZ-CG2 4.33Å; F189-F225 AromaticContact CE2-CD2 3.58Å; F189-F225 HydrophobicContact CE2-CD2 3.58Å; F189-F225 AromaticContact CE2-CE2 3.98Å; F189-F225 HydrophobicContact CE2-CE2 3.98Å; F189-F225 HydrophobicContact CE2-CG 4.37Å; F189-F225 AromaticContact CZ-CD2 3.67Å; F189-F225 HydrophobicContact CZ-CD2 3.67Å; F189-F225 HydrophobicContact CZ-CE2 4.03Å
190	R	93.9	Very high	91.5	Very high	91 Å²	91	62.5 Å²	62.5	34%	0.343	31%	0.312	S	S	.	.	H	α-helix	trans	-58.8	-40	177.3	-176.1	-167.3	170.5	-150.9	-5.6	112.1	W186 V188 H194 I199 A205	W186-R190 HydrophobicContact CD2-CB 4.48Å; W186-R190 HydrophobicContact CH2-CB 4.29Å; W186-R190 HydrophobicContact CH2-CG 4.47Å; W186-R190 HydrophobicContact CZ2-CB 3.94Å; W186-R190 HydrophobicContact CZ2-CG 4Å; W186-R190 VanDerWaalsContact O-CB 3.26Å; W186-R190 WeakPolarHBondContact O-CB 3.27Å; W186-R190 PolarHBondContact O-N 3.46Å; V188-R190 VanDerWaalsContact C-N 3.33Å; V188-R190 PolarHBondContact O-N 2.95Å; R190-H194 WeakPolarHBondContact O-CB 3.3Å; R190-H194 PolarHBondContact O-N 2.75Å; R190-H194 VanDerWaalsContact O-N 3.1Å; R190-I199 HydrophobicContact CG-CD1 3.8Å; R190-A205 VanDerWaalsContact NE-CB 3.35Å
191	Q	93.3	Very high	90.8	Very high	132 Å²	132	59.1 Å²	59.1	62%	0.617	30%	0.298	S	S	*	.	H	α-helix	trans	-66.1	-56.3	-178.7	-178	173.1	-13.5	0	0	110.5	K187 V188 F189 L193 H194 E195	K187-Q191 PolarHBondContact O-N 3.44Å; V188-Q191 PolarHBondContact O-N 3.08Å; V188-Q191 VanDerWaalsContact O-N 3.09Å; F189-Q191 VanDerWaalsContact C-N 3.3Å; F189-Q191 PolarHBondContact O-N 3.15Å; Q191-L193 VanDerWaalsContact C-N 3.31Å; Q191-L193 PolarHBondContact O-N 3Å; Q191-H194 WeakPolarHBondContact O-CB 3.36Å; Q191-H194 PolarHBondContact O-N 2.84Å; Q191-H194 VanDerWaalsContact O-N 3.09Å; Q191-E195 PolarHBondContact O-N 3.31Å
192	S	95.4	Very high	89.7	Confident	18 Å²	18	55.8 Å²	55.8	13%	0.126	30%	0.296	C	S	.	.	H	α-helix	trans	-63.9	-34.3	-180	-53.2	0	0	0	0	112.8	F173 V188 H194 E195	F173-S192 WeakPolarHBondContact CE2-O 3.45Å; V188-S192 PolarHBondContact O-N 2.9Å; V188-S192 VanDerWaalsContact O-N 3.15Å; S192-H194 VanDerWaalsContact C-N 3.34Å; S192-H194 PolarHBondContact O-N 2.88Å; S192-E195 PolarHBondContact O-N 3.16Å
193	L	92.9	Very high	88.9	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-66.7	-35.4	174.8	-170.3	69.3	0	0	0	112.1	F173 F189 Q191 E195 F196 H197 L208 W235	F173-L193 HydrophobicContact CE1-CD1 4.27Å; F173-L193 HydrophobicContact CE2-CD1 4.37Å; F173-L193 HydrophobicContact CZ-CB 4.23Å; F173-L193 HydrophobicContact CZ-CD1 3.9Å; F189-L193 HydrophobicContact CE1-CB 4.36Å; F189-L193 HydrophobicContact CE1-CD2 3.71Å; F189-L193 HydrophobicContact CZ-CD1 4.46Å; F189-L193 HydrophobicContact CZ-CD2 3.97Å; F189-L193 VanDerWaalsContact O-CB 3.27Å; F189-L193 WeakPolarHBondContact O-CB 3.18Å; F189-L193 PolarHBondContact O-N 2.86Å; Q191-L193 VanDerWaalsContact C-N 3.31Å; Q191-L193 PolarHBondContact O-N 3Å; L193-E195 PolarHBondContact O-N 2.67Å; L193-F196 PolarHBondContact O-N 2.85Å; L193-H197 PolarHBondContact O-N 3.23Å; L193-L208 HydrophobicContact CD2-CD2 4.03Å; L193-W235 HydrophobicContact CD1-CH2 4.06Å
194	H	89.4	Confident	88.1	Confident	73 Å²	73	63.7 Å²	63.7	34%	0.338	34%	0.336	S	S	.	.	H	α-helix	trans	-62.3	-31	178.1	-169.9	-50.8	0	0	0	112.3	R190 Q191 S192 F196 H197 N198 I199	R190-H194 WeakPolarHBondContact O-CB 3.3Å; R190-H194 PolarHBondContact O-N 2.75Å; R190-H194 VanDerWaalsContact O-N 3.1Å; Q191-H194 WeakPolarHBondContact O-CB 3.36Å; Q191-H194 PolarHBondContact O-N 2.84Å; Q191-H194 VanDerWaalsContact O-N 3.09Å; S192-H194 VanDerWaalsContact C-N 3.34Å; S192-H194 PolarHBondContact O-N 2.88Å; H194-F196 PolarHBondContact O-N 3.31Å; H194-H197 WeakPolarHBondContact CA-O 3.43Å; H194-N198 PolarHBondContact CE1-OD1 3.42Å; H194-I199 HydrophobicContact CB-CD1 4.33Å; H194-I199 HydrophobicContact CB-CG1 4.37Å; H194-I199 PolarHBondContact CD2-N 3.23Å
195	E	88.9	Confident	87.4	Confident	132 Å²	132	63.7 Å²	63.7	62%	0.617	34%	0.336	S	S	*	.	H	α-helix	trans	-66.1	-22.8	179.5	-66.7	162.1	-164.2	0	0	112.6	Q191 S192 L193	Q191-E195 PolarHBondContact O-N 3.31Å; S192-E195 PolarHBondContact O-N 3.16Å; L193-E195 PolarHBondContact O-N 2.67Å
196	F	86.5	Confident	86.7	Confident	90 Å²	90	67.3 Å²	67.3	40%	0.395	35%	0.351	S	S	.	.	H	α-helix	trans	-108.8	-33.8	177.8	-69	-98.6	0	0	0	113.1	F173 L193 H194	F173-F196 HydrophobicContact CD2-CB 4.46Å; F173-F196 HydrophobicContact CD2-CD1 4.42Å; F173-F196 AromaticContact CD2-CD2 3.63Å; F173-F196 HydrophobicContact CD2-CD2 3.63Å; F173-F196 AromaticContact CD2-CE2 3.94Å; F173-F196 HydrophobicContact CD2-CE2 3.94Å; F173-F196 AromaticContact CD2-CG 3.91Å; F173-F196 HydrophobicContact CD2-CG 3.91Å; F173-F196 HydrophobicContact CD2-CZ 4.47Å; F173-F196 AromaticContact CE2-CD2 3.6Å; F173-F196 HydrophobicContact CE2-CD2 3.6Å; F173-F196 HydrophobicContact CE2-CE2 4.09Å; F173-F196 HydrophobicContact CE2-CG 4.17Å; L193-F196 PolarHBondContact O-N 2.85Å; H194-F196 PolarHBondContact O-N 3.31Å
197	H	85.5	Confident	86.1	Confident	22 Å²	22	67 Å²	67	10%	0.102	36%	0.355	C	S	.	.	S	Bend	trans	-135.1	101	178.5	-57	-55.4	0	0	0	110	L193 H194 I199 W235 L239	L193-H197 PolarHBondContact O-N 3.23Å; H194-H197 WeakPolarHBondContact CA-O 3.43Å; H197-I199 WeakPolarHBondContact O-CG1 3.37Å; H197-I199 PolarHBondContact O-N 3Å; H197-W235 PolarHBondContact CE1-O 2.86Å; H197-W235 AromaticContact NE2-CD2 3.65Å; H197-W235 AromaticContact NE2-CE2 3.39Å; H197-W235 AromaticContact NE2-CE3 3.98Å; H197-W235 AromaticContact NE2-CH2 3.83Å; H197-W235 AromaticContact NE2-CZ2 3.5Å; H197-W235 WeakPolarHBondContact NE2-CZ2 3.5Å; H197-W235 AromaticContact NE2-NE1 3.86Å; H197-W235 PolarHBondContact NE2-O 3.06Å; H197-L239 HydrophobicContact CB-CD1 3.57Å; H197-L239 HydrophobicContact CB-CG 3.77Å; H197-L239 WeakPolarHBondContact O-CD1 3.38Å
198	N	79.8	Confident	85.8	Confident	126 Å²	126	60.6 Å²	60.6	67%	0.674	33%	0.327	S	S	*	.			trans	-50.5	129.1	-178.5	-71.7	-43.9	0	0	0	112.7	H194	H194-N198 PolarHBondContact CE1-OD1 3.42Å
199	I	83.4	Confident	85.5	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.021	31%	0.313	C	S	.	.			trans	-107.8	90.4	179.7	-51.8	174.1	0	0	0	108.5	R190 H194 H197 S201 E204 A205 L208 L239	R190-I199 HydrophobicContact CG-CD1 3.8Å; H194-I199 HydrophobicContact CB-CD1 4.33Å; H194-I199 HydrophobicContact CB-CG1 4.37Å; H194-I199 PolarHBondContact CD2-N 3.23Å; H197-I199 WeakPolarHBondContact O-CG1 3.37Å; H197-I199 PolarHBondContact O-N 3Å; I199-S201 PolarHBondContact O-N 2.98Å; I199-E204 HydrophobicContact CG2-CB 4.46Å; I199-E204 HydrophobicContact CG2-CG 4.31Å; I199-A205 HydrophobicContact CG2-CB 3.88Å; I199-L208 HydrophobicContact CD1-CD2 4.03Å; I199-L208 HydrophobicContact CG1-CD2 4.48Å; I199-L239 HydrophobicContact CG1-CD1 3.92Å
200	S	71.4	Confident	85	Confident	102 Å²	102	61.8 Å²	61.8	71%	0.713	33%	0.334	S	S	*	.			trans	-54.3	-25.6	-166	-16.8	0	0	0	0	115.7	E204	S200-E204 WeakPolarHBondContact CB-OE2 3.33Å; S200-E204 PolarHBondContact N-OE2 3.21Å; S200-E204 PolarHBondContact OG-OE2 2.87Å
201	S	77.6	Confident	84.8	Confident	52 Å²	52	58.4 Å²	58.4	36%	0.364	32%	0.324	S	S	.	.			trans	-151.8	162.4	-178.9	72.5	0	0	0	0	114.8	I199 L203 E204 A205	I199-S201 PolarHBondContact O-N 2.98Å; S201-L203 VanDerWaalsContact C-N 3.3Å; S201-L203 PolarHBondContact O-N 3.29Å; S201-E204 PolarHBondContact O-N 2.8Å; S201-E204 VanDerWaalsContact OG-CB 3.26Å; S201-E204 WeakPolarHBondContact OG-CB 3.34Å; S201-E204 PolarHBondContact OG-N 3.01Å; S201-A205 PolarHBondContact O-N 3.24Å
202	G	73.5	Confident	84.9	Confident	45 Å²	45	52.1 Å²	52.1	46%	0.464	30%	0.295	S	S	.	.	H	α-helix	trans	-65.4	-29.2	171.6	0	0	0	0	0	113.9	M206	G202-M206 WeakPolarHBondContact O-CG 3.46Å; G202-M206 PolarHBondContact O-N 3.28Å; G202-M206 VanDerWaalsContact O-N 3.13Å
203	L	78.8	Confident	84.8	Confident	150 Å²	150	51.8 Å²	51.8	79%	0.785	29%	0.292	S	S	*	.	H	α-helix	trans	-72.2	-41.9	174.7	-68.8	176.5	0	0	0	111.2	S201 M206 A207	S201-L203 VanDerWaalsContact C-N 3.3Å; S201-L203 PolarHBondContact O-N 3.29Å; L203-M206 PolarHBondContact O-N 2.98Å; L203-A207 PolarHBondContact O-N 3.49Å
204	E	79.8	Confident	84.7	Confident	31 Å²	31	52.2 Å²	52.2	15%	0.145	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-44.4	173	-175.2	166.3	-135.4	0	0	111.1	I199 S200 S201 M206 A207 L208 W242 N243	I199-E204 HydrophobicContact CG2-CB 4.46Å; I199-E204 HydrophobicContact CG2-CG 4.31Å; S200-E204 WeakPolarHBondContact CB-OE2 3.33Å; S200-E204 PolarHBondContact N-OE2 3.21Å; S200-E204 PolarHBondContact OG-OE2 2.87Å; S201-E204 PolarHBondContact O-N 2.8Å; S201-E204 VanDerWaalsContact OG-CB 3.26Å; S201-E204 WeakPolarHBondContact OG-CB 3.34Å; S201-E204 PolarHBondContact OG-N 3.01Å; E204-M206 VanDerWaalsContact C-N 3.31Å; E204-M206 PolarHBondContact O-N 2.67Å; E204-A207 PolarHBondContact O-N 2.69Å; E204-L208 VanDerWaalsContact O-CB 3.27Å; E204-L208 WeakPolarHBondContact O-CB 3.4Å; E204-L208 PolarHBondContact O-N 2.97Å; E204-W242 HydrophobicContact CG-CH2 3.93Å; E204-W242 HydrophobicContact CG-CZ3 3.71Å; E204-N243 PolarHBondContact OE1-ND2 3.26Å
205	A	84.1	Confident	84.9	Confident	3 Å²	3	48.8 Å²	48.8	3%	0.025	28%	0.278	C	S	.	.	H	α-helix	trans	-57.4	-40.8	173.7	0	0	0	0	0	112.9	W186 R190 I199 S201 K209	W186-A205 HydrophobicContact CZ2-CB 4.31Å; W186-A205 WeakPolarHBondContact CZ2-O 3.33Å; R190-A205 VanDerWaalsContact NE-CB 3.35Å; I199-A205 HydrophobicContact CG2-CB 3.88Å; S201-A205 PolarHBondContact O-N 3.24Å; A205-K209 WeakPolarHBondContact O-CB 3.37Å; A205-K209 PolarHBondContact O-N 3.22Å
206	M	83	Confident	85.2	Confident	115 Å²	115	45 Å²	45	57%	0.567	27%	0.265	S	S	*	.	H	α-helix	trans	-71.1	-37.5	177.1	-71.7	-59.8	-62.2	0	0	112.9	G202 L203 E204 S210	G202-M206 WeakPolarHBondContact O-CG 3.46Å; G202-M206 PolarHBondContact O-N 3.28Å; G202-M206 VanDerWaalsContact O-N 3.13Å; L203-M206 PolarHBondContact O-N 2.98Å; E204-M206 VanDerWaalsContact C-N 3.31Å; E204-M206 PolarHBondContact O-N 2.67Å; M206-S210 PolarHBondContact O-N 3.05Å
207	A	82.8	Confident	85.5	Confident	20 Å²	20	41.3 Å²	41.3	17%	0.165	25%	0.25	C	C	.	.	H	α-helix	trans	-65.9	-43.8	173.9	0	0	0	0	0	111.4	L203 E204 S210 T211 W242	L203-A207 PolarHBondContact O-N 3.49Å; E204-A207 PolarHBondContact O-N 2.69Å; A207-S210 PolarHBondContact O-N 3.47Å; A207-S210 PolarHBondContact O-OG 3.44Å; A207-T211 PolarHBondContact O-N 3.18Å; A207-T211 PolarHBondContact O-OG1 3.05Å; A207-W242 HydrophobicContact CB-CH2 3.99Å; A207-W242 HydrophobicContact CB-CZ2 3.93Å
208	L	87.9	Confident	86	Confident	1 Å²	1	45 Å²	45	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-58.2	-52.7	175.8	177.4	59.2	0	0	0	110.1	W186 L193 I199 E204 S210 T211 I212 F228 L239 W242	W186-L208 HydrophobicContact CH2-CB 4.43Å; W186-L208 HydrophobicContact CH2-CD2 4.23Å; W186-L208 HydrophobicContact CH2-CG 4.15Å; L193-L208 HydrophobicContact CD2-CD2 4.03Å; I199-L208 HydrophobicContact CD1-CD2 4.03Å; I199-L208 HydrophobicContact CG1-CD2 4.48Å; E204-L208 VanDerWaalsContact O-CB 3.27Å; E204-L208 WeakPolarHBondContact O-CB 3.4Å; E204-L208 PolarHBondContact O-N 2.97Å; L208-S210 VanDerWaalsContact C-N 3.29Å; L208-S210 PolarHBondContact O-N 2.99Å; L208-T211 WeakPolarHBondContact O-CA 3.42Å; L208-T211 WeakPolarHBondContact O-CB 3.35Å; L208-T211 PolarHBondContact O-N 2.63Å; L208-I212 WeakPolarHBondContact O-CG2 3.41Å; L208-I212 PolarHBondContact O-N 3.1Å; L208-I212 VanDerWaalsContact O-N 3.14Å; L208-F228 HydrophobicContact CD1-CE1 4.17Å; L208-F228 HydrophobicContact CD1-CE2 3.8Å; L208-F228 HydrophobicContact CD1-CZ 3.36Å; L208-L239 HydrophobicContact CD1-CD2 3.76Å; L208-L239 HydrophobicContact CD2-CD2 3.82Å; L208-L239 HydrophobicContact CG-CD2 4.45Å; L208-W242 HydrophobicContact CB-CH2 3.82Å; L208-W242 HydrophobicContact CB-CZ2 3.9Å; L208-W242 HydrophobicContact CB-CZ3 4.3Å; L208-W242 HydrophobicContact CD1-CD2 4.04Å; L208-W242 HydrophobicContact CD1-CE3 4.31Å; L208-W242 HydrophobicContact CD1-CG 4.45Å; L208-W242 HydrophobicContact CD1-CZ2 4.4Å; L208-W242 VanDerWaalsContact N-CZ2 3.25Å
209	K	89.9	Confident	86.8	Confident	26 Å²	26	40.9 Å²	40.9	11%	0.113	25%	0.246	C	C	.	.	H	α-helix	trans	-49.5	-49.9	173.8	-169.3	-170.9	178.3	-163.3	0	111.7	W186 A205 T211 I212 D213 D218	W186-K209 HydrophobicContact CD2-CB 3.99Å; W186-K209 HydrophobicContact CD2-CD 3.89Å; W186-K209 HydrophobicContact CD2-CG 3.64Å; W186-K209 HydrophobicContact CE3-CB 4.1Å; W186-K209 HydrophobicContact CE3-CG 3.85Å; W186-K209 HydrophobicContact CG-CD 3.81Å; W186-K209 HydrophobicContact CG-CG 4.05Å; W186-K209 HydrophobicContact CH2-CB 3.82Å; W186-K209 HydrophobicContact CH2-CG 4.47Å; W186-K209 HydrophobicContact CZ2-CB 3.69Å; W186-K209 HydrophobicContact CZ2-CG 4.31Å; W186-K209 HydrophobicContact CZ3-CB 4.01Å; W186-K209 HydrophobicContact CZ3-CG 4.24Å; A205-K209 WeakPolarHBondContact O-CB 3.37Å; A205-K209 PolarHBondContact O-N 3.22Å; K209-T211 PolarHBondContact O-N 3.09Å; K209-I212 PolarHBondContact O-N 3.26Å; K209-I212 VanDerWaalsContact O-N 3.16Å; K209-D213 WeakPolarHBondContact CE-OD2 3.49Å; K209-D213 HydrophobicContact CG-CB 4.05Å; K209-D213 IonicContact NZ-OD2 3.75Å; K209-D213 VanDerWaalsContact O-CB 3.24Å; K209-D213 WeakPolarHBondContact O-CB 3.45Å; K209-D213 PolarHBondContact O-N 2.98Å; K209-D218 IonicContact NZ-OD1 2.83Å; K209-D218 PolarHBondContact NZ-OD1 2.56Å
210	S	86.2	Confident	87.5	Confident	63 Å²	63	40.7 Å²	40.7	44%	0.441	25%	0.245	S	C	.	.	H	α-helix	trans	-65	-6.6	180	75.9	0	0	0	0	115.1	M206 A207 L208	M206-S210 PolarHBondContact O-N 3.05Å; A207-S210 PolarHBondContact O-N 3.47Å; A207-S210 PolarHBondContact O-OG 3.44Å; L208-S210 VanDerWaalsContact C-N 3.29Å; L208-S210 PolarHBondContact O-N 2.99Å
211	T	90.8	Very high	88.7	Confident	20 Å²	20	35.9 Å²	35.9	12%	0.123	21%	0.211	C	C	.	.	H	α-helix	trans	-101.5	-32.5	174.6	-45.8	0	0	0	0	113	A207 L208 K209 F228 F232 W242	A207-T211 PolarHBondContact O-N 3.18Å; A207-T211 PolarHBondContact O-OG1 3.05Å; L208-T211 WeakPolarHBondContact O-CA 3.42Å; L208-T211 WeakPolarHBondContact O-CB 3.35Å; L208-T211 PolarHBondContact O-N 2.63Å; K209-T211 PolarHBondContact O-N 3.09Å; T211-F228 HydrophobicContact CG2-CD2 4.35Å; T211-F228 HydrophobicContact CG2-CE2 4.05Å; T211-F232 HydrophobicContact CG2-CE2 3.77Å; T211-F232 HydrophobicContact CG2-CZ 3.88Å; T211-W242 PolarHBondContact OG1-NE1 3.4Å
212	I	94.3	Very high	89.6	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-98.5	-31.9	-177.8	-171.6	171.5	0	0	0	113.9	W186 F189 L208 K209 L214 I220 F225 F228	W186-I212 HydrophobicContact CZ3-CG2 4.01Å; F189-I212 HydrophobicContact CE1-CD1 3.81Å; F189-I212 HydrophobicContact CE2-CD1 4.47Å; F189-I212 HydrophobicContact CZ-CD1 3.62Å; L208-I212 WeakPolarHBondContact O-CG2 3.41Å; L208-I212 PolarHBondContact O-N 3.1Å; L208-I212 VanDerWaalsContact O-N 3.14Å; K209-I212 PolarHBondContact O-N 3.26Å; K209-I212 VanDerWaalsContact O-N 3.16Å; I212-L214 PolarHBondContact O-N 3.26Å; I212-I220 HydrophobicContact CB-CD1 4.25Å; I212-I220 HydrophobicContact CD1-CD1 4.32Å; I212-I220 HydrophobicContact CD1-CG2 3.82Å; I212-I220 HydrophobicContact CG1-CD1 3.98Å; I212-I220 HydrophobicContact CG1-CG2 4.15Å; I212-I220 HydrophobicContact CG2-CD1 3.53Å; I212-F225 HydrophobicContact CD1-CD2 4.28Å; I212-F228 HydrophobicContact CB-CB 4.34Å; I212-F228 HydrophobicContact CB-CD2 3.84Å; I212-F228 HydrophobicContact CB-CE2 4.43Å; I212-F228 HydrophobicContact CB-CG 4.13Å; I212-F228 HydrophobicContact CD1-CB 3.85Å; I212-F228 HydrophobicContact CD1-CD1 4.14Å; I212-F228 HydrophobicContact CD1-CD2 4.48Å; I212-F228 HydrophobicContact CD1-CG 3.9Å; I212-F228 HydrophobicContact CG1-CB 3.81Å; I212-F228 HydrophobicContact CG1-CD2 4.25Å; I212-F228 HydrophobicContact CG1-CG 4.03Å
213	D	93.2	Very high	90.8	Very high	11 Å²	11	32.4 Å²	32.4	6%	0.059	18%	0.177	C	C	.	.			trans	-77.7	69.7	177.3	-174.6	-3.3	0	0	0	110	K209 T215 C216 N217 D218 I220	K209-D213 WeakPolarHBondContact CE-OD2 3.49Å; K209-D213 HydrophobicContact CG-CB 4.05Å; K209-D213 IonicContact NZ-OD2 3.75Å; K209-D213 VanDerWaalsContact O-CB 3.24Å; K209-D213 WeakPolarHBondContact O-CB 3.45Å; K209-D213 PolarHBondContact O-N 2.98Å; D213-T215 VanDerWaalsContact C-N 3.3Å; D213-T215 PolarHBondContact O-N 2.92Å; D213-C216 PolarHBondContact O-N 3.34Å; D213-C216 VanDerWaalsContact O-N 3.14Å; D213-C216 PolarHBondContact O-SG 3.47Å; D213-C216 VanDerWaalsContact OD1-C 3.29Å; D213-C216 WeakPolarHBondContact OD1-CA 3.43Å; D213-C216 PolarHBondContact OD1-N 3.36Å; D213-N217 PolarHBondContact OD1-N 3.06Å; D213-N217 PolarHBondContact OD2-N 2.61Å; D213-D218 PolarHBondContact OD2-N 3.42Å; D213-D218 VanDerWaalsContact OD2-N 3.15Å; D213-I220 HydrophobicContact CB-CD1 4.22Å
214	L	92.1	Very high	91.6	Very high	9 Å²	9	25.3 Å²	25.3	5%	0.047	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-30.7	-174.9	-62.7	177.3	0	0	0	112.4	H144 I212 C216 E224 I227 L279	H144-L214 HydrophobicContact CB-CB 4.08Å; I212-L214 PolarHBondContact O-N 3.26Å; L214-C216 VanDerWaalsContact C-N 3.32Å; L214-E224 HydrophobicContact CB-CG 4.26Å; L214-E224 HydrophobicContact CD1-CG 4.47Å; L214-E224 HydrophobicContact CG-CG 4.48Å; L214-E224 PolarHBondContact N-OE1 2.69Å; L214-I227 HydrophobicContact CD1-CB 4.31Å; L214-I227 HydrophobicContact CD1-CD1 3.98Å; L214-I227 HydrophobicContact CD1-CG2 3.8Å; L214-L279 HydrophobicContact CD2-CD2 4.22Å
215	T	93.9	Very high	92.5	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-8.8	174.9	64.1	0	0	0	0	112.8	N105 K109 M145 D213 N217 E224	N105-T215 PolarHBondContact ND2-O 2.93Å; K109-T215 PolarHBondContact NZ-O 3.2Å; M145-T215 HydrophobicContact CG-CG2 3.73Å; D213-T215 VanDerWaalsContact C-N 3.3Å; D213-T215 PolarHBondContact O-N 2.92Å; T215-N217 VanDerWaalsContact OG1-CG 3.27Å; T215-N217 PolarHBondContact OG1-ND2 3.34Å; T215-E224 WeakPolarHBondContact CB-OE1 2.94Å; T215-E224 WeakPolarHBondContact CG2-OE1 3.24Å; T215-E224 PolarHBondContact N-OE1 2.77Å; T215-E224 PolarHBondContact OG1-OE1 3.4Å
216	C	93.9	Very high	93	Very high	52 Å²	52	23.9 Å²	23.9	35%	0.351	13%	0.133	S	C	.	.			trans	54.5	52	177.8	-59.5	0	0	0	0	113	K109 I141 D213 L214	K109-C216 PolarHBondContact NZ-O 3.03Å; I141-C216 HydrophobicContact CD1-CB 4.42Å; D213-C216 PolarHBondContact O-N 3.34Å; D213-C216 VanDerWaalsContact O-N 3.14Å; D213-C216 PolarHBondContact O-SG 3.47Å; D213-C216 VanDerWaalsContact OD1-C 3.29Å; D213-C216 WeakPolarHBondContact OD1-CA 3.43Å; D213-C216 PolarHBondContact OD1-N 3.36Å; L214-C216 VanDerWaalsContact C-N 3.32Å
217	N	93.5	Very high	93.7	Very high	14 Å²	14	18.6 Å²	18.6	8%	0.075	11%	0.106	C	C	.	.	S	Bend	trans	-119.5	0.7	-168	73.6	8.2	0	0	0	115.5	N105 D213 T215 Y219	N105-N217 HydrophobicContact CB-CB 4.2Å; D213-N217 PolarHBondContact OD1-N 3.06Å; D213-N217 PolarHBondContact OD2-N 2.61Å; T215-N217 VanDerWaalsContact OG1-CG 3.27Å; T215-N217 PolarHBondContact OG1-ND2 3.34Å; N217-Y219 VanDerWaalsContact C-N 3.29Å; N217-Y219 WeakPolarHBondContact O-CD2 3.25Å; N217-Y219 WeakPolarHBondContact OD1-CA 3.32Å; N217-Y219 WeakPolarHBondContact OD1-CB 3.28Å; N217-Y219 PolarHBondContact OD1-N 3.28Å; N217-Y219 PolarHBondContact OD1-O 3.07Å
218	D	95.1	Very high	94.3	Very high	99 Å²	99	17.9 Å²	17.9	53%	0.529	10%	0.1	S	C	.	.	S	Bend	trans	72.9	6.6	-174.1	-51.3	-53.1	0	0	0	116.3	W186 K209 D213	W186-D218 WeakPolarHBondContact CB-O 3.5Å; W186-D218 PolarHBondContact N-O 2.85Å; K209-D218 IonicContact NZ-OD1 2.83Å; K209-D218 PolarHBondContact NZ-OD1 2.56Å; D213-D218 PolarHBondContact OD2-N 3.42Å; D213-D218 VanDerWaalsContact OD2-N 3.15Å
219	Y	97.2	Very high	94.7	Very high	40 Å²	40	18 Å²	18	16%	0.157	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	176.3	170.9	-67	-108.1	0	0	0	109.8	V101 I183 V184 P185 N217	V101-Y219 HydrophobicContact CG1-CD2 3.83Å; V101-Y219 HydrophobicContact CG1-CE2 4.11Å; V101-Y219 HydrophobicContact CG1-CG 4.18Å; V101-Y219 HydrophobicContact CG2-CD1 4.44Å; V101-Y219 HydrophobicContact CG2-CD2 4.44Å; V101-Y219 HydrophobicContact CG2-CE1 4.04Å; V101-Y219 HydrophobicContact CG2-CE2 4.06Å; I183-Y219 HydrophobicContact CD1-CD1 4.34Å; I183-Y219 HydrophobicContact CD1-CG 4.2Å; I183-Y219 HydrophobicContact CG1-CD1 4.05Å; I183-Y219 HydrophobicContact CG1-CG 4.24Å; V184-Y219 CarbonylContact O-C 3.57Å; V184-Y219 VanDerWaalsContact O-CA 3.29Å; V184-Y219 WeakPolarHBondContact O-CA 3.42Å; V184-Y219 WeakPolarHBondContact O-CB 3.44Å; P185-Y219 HydrophobicContact CB-CD1 4.3Å; P185-Y219 HydrophobicContact CB-CE1 4.25Å; P185-Y219 HydrophobicContact CG-CD1 4.12Å; P185-Y219 HydrophobicContact CG-CE1 3.81Å; N217-Y219 VanDerWaalsContact C-N 3.29Å; N217-Y219 WeakPolarHBondContact O-CD2 3.25Å; N217-Y219 WeakPolarHBondContact OD1-CA 3.32Å; N217-Y219 WeakPolarHBondContact OD1-CB 3.28Å; N217-Y219 PolarHBondContact OD1-N 3.28Å; N217-Y219 PolarHBondContact OD1-O 3.07Å
220	I	98.1	Very high	94.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	122.3	170.4	-56.7	-65.4	0	0	0	107.2	W174 I183 V184 W186 F189 I212 D213 E224 F225	W174-I220 HydrophobicContact CZ3-CG2 4.39Å; I183-I220 WeakPolarHBondContact CA-O 3.44Å; V184-I220 HydrophobicContact CG2-CB 4.41Å; V184-I220 PolarHBondContact N-O 3.24Å; V184-I220 PolarHBondContact O-N 2.88Å; W186-I220 HydrophobicContact CE3-CD1 3.93Å; W186-I220 HydrophobicContact CE3-CG1 3.94Å; W186-I220 HydrophobicContact CZ3-CD1 4.39Å; F189-I220 HydrophobicContact CB-CB 4.35Å; F189-I220 HydrophobicContact CB-CG1 4.04Å; F189-I220 HydrophobicContact CD1-CB 4.47Å; F189-I220 HydrophobicContact CD1-CG1 3.81Å; F189-I220 HydrophobicContact CD2-CB 4.19Å; F189-I220 HydrophobicContact CD2-CG1 4.4Å; F189-I220 HydrophobicContact CD2-CG2 3.98Å; F189-I220 HydrophobicContact CE1-CG1 4.4Å; F189-I220 HydrophobicContact CE2-CG2 4.04Å; F189-I220 HydrophobicContact CG-CB 4.06Å; F189-I220 HydrophobicContact CG-CG1 3.8Å; F189-I220 HydrophobicContact CG-CG2 4.23Å; F189-I220 HydrophobicContact CZ-CG2 4.33Å; I212-I220 HydrophobicContact CB-CD1 4.25Å; I212-I220 HydrophobicContact CD1-CD1 4.32Å; I212-I220 HydrophobicContact CD1-CG2 3.82Å; I212-I220 HydrophobicContact CG1-CD1 3.98Å; I212-I220 HydrophobicContact CG1-CG2 4.15Å; I212-I220 HydrophobicContact CG2-CD1 3.53Å; D213-I220 HydrophobicContact CB-CD1 4.22Å; I220-E224 WeakPolarHBondContact CA-OE2 3.49Å; I220-F225 HydrophobicContact CG2-CB 4.33Å
221	S	97.6	Very high	95.3	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	158.2	171.9	74.2	0	0	0	0	112.6	E148 T182 F223 E224 F225	E148-S221 WeakPolarHBondContact OE1-CB 3.39Å; E148-S221 PolarHBondContact OE1-OG 3.12Å; T182-S221 WeakPolarHBondContact O-CA 3.33Å; S221-F223 PolarHBondContact O-N 2.76Å; S221-F223 VanDerWaalsContact O-N 3.17Å; S221-E224 PolarHBondContact N-OE2 3.05Å; S221-E224 PolarHBondContact O-N 2.73Å; S221-E224 VanDerWaalsContact O-N 3.16Å; S221-E224 WeakPolarHBondContact OG-CG 3.36Å; S221-E224 PolarHBondContact OG-N 3.14Å; S221-E224 VanDerWaalsContact OG-N 3.1Å; S221-F225 WeakPolarHBondContact O-CB 3.16Å; S221-F225 PolarHBondContact O-N 3.36Å
222	V	96.8	Very high	95.5	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.024	8%	0.079	C	C	.	.	H	α-helix	trans	-56.5	-28.6	173	68.8	0	0	0	0	112	I152 F163 I165 W174 T182 D226	I152-V222 HydrophobicContact CD1-CG1 3.94Å; F163-V222 HydrophobicContact CB-CG1 3.81Å; F163-V222 HydrophobicContact CB-CG2 4.48Å; F163-V222 HydrophobicContact CD1-CB 4.17Å; F163-V222 HydrophobicContact CD1-CG1 3.66Å; F163-V222 HydrophobicContact CD1-CG2 3.59Å; F163-V222 HydrophobicContact CD2-CG1 4.42Å; F163-V222 HydrophobicContact CE1-CG1 4.37Å; F163-V222 HydrophobicContact CE1-CG2 4.26Å; F163-V222 HydrophobicContact CG-CG1 3.69Å; F163-V222 HydrophobicContact CG-CG2 4.35Å; I165-V222 HydrophobicContact CD1-CG2 3.73Å; I165-V222 HydrophobicContact CG1-CG2 3.86Å; W174-V222 HydrophobicContact CD2-CB 4.45Å; W174-V222 HydrophobicContact CD2-CG2 4.07Å; W174-V222 HydrophobicContact CG-CG2 4.26Å; W174-V222 HydrophobicContact CH2-CB 4.29Å; W174-V222 HydrophobicContact CZ2-CB 3.68Å; W174-V222 HydrophobicContact CZ2-CG2 4.19Å; T182-V222 HydrophobicContact CG2-CG1 4.15Å; T182-V222 PolarHBondContact O-N 2.88Å; V222-D226 PolarHBondContact O-N 2.86Å
223	F	97.1	Very high	95.2	Very high	21 Å²	21	17.7 Å²	17.7	9%	0.092	9%	0.089	C	C	.	.	H	α-helix	trans	-76.8	-44.1	175.8	171.8	-95.1	0	0	0	112.9	A147 E148 A151 I152 F163 S221 F225 D226 I227 L284	A147-F223 HydrophobicContact CB-CE1 4.49Å; A147-F223 HydrophobicContact CB-CZ 3.94Å; E148-F223 HydrophobicContact CB-CD1 3.52Å; E148-F223 HydrophobicContact CB-CE1 3.58Å; E148-F223 HydrophobicContact CB-CG 4.33Å; E148-F223 HydrophobicContact CB-CZ 4.43Å; E148-F223 HydrophobicContact CG-CB 4.24Å; E148-F223 HydrophobicContact CG-CD1 3.62Å; E148-F223 HydrophobicContact CG-CE1 4.22Å; E148-F223 HydrophobicContact CG-CG 4.15Å; A151-F223 HydrophobicContact CB-CD2 3.45Å; A151-F223 VanDerWaalsContact CB-CD2 3.45Å; A151-F223 HydrophobicContact CB-CE2 3.48Å; A151-F223 VanDerWaalsContact CB-CE2 3.48Å; A151-F223 HydrophobicContact CB-CG 4.33Å; A151-F223 HydrophobicContact CB-CZ 4.39Å; I152-F223 HydrophobicContact CD1-CB 4.28Å; F163-F223 HydrophobicContact CE2-CB 4.22Å; F163-F223 AromaticContact CE2-CD2 3.96Å; F163-F223 HydrophobicContact CE2-CD2 3.96Å; F163-F223 HydrophobicContact CZ-CB 4.11Å; F163-F223 AromaticContact CZ-CD2 4Å; F163-F223 HydrophobicContact CZ-CD2 4Å; S221-F223 PolarHBondContact O-N 2.76Å; S221-F223 VanDerWaalsContact O-N 3.17Å; F223-F225 PolarHBondContact O-N 3.47Å; F223-D226 PolarHBondContact O-N 2.87Å; F223-I227 HydrophobicContact CD1-CD1 3.76Å; F223-I227 HydrophobicContact CD2-CD1 4.49Å; F223-I227 HydrophobicContact CE1-CD1 3.34Å; F223-I227 HydrophobicContact CE2-CD1 4.14Å; F223-I227 HydrophobicContact CG-CD1 4.34Å; F223-I227 HydrophobicContact CZ-CD1 3.58Å; F223-I227 WeakPolarHBondContact O-CG1 3.37Å; F223-I227 PolarHBondContact O-N 3.42Å; F223-L284 HydrophobicContact CE1-CD1 4.23Å; F223-L284 HydrophobicContact CZ-CD1 3.87Å
224	E	96.9	Very high	95	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-60.2	-38.3	172.3	-75.2	173.7	139.8	0	0	111.1	L214 T215 I220 S221 I227 F228	L214-E224 HydrophobicContact CB-CG 4.26Å; L214-E224 HydrophobicContact CD1-CG 4.47Å; L214-E224 HydrophobicContact CG-CG 4.48Å; L214-E224 PolarHBondContact N-OE1 2.69Å; T215-E224 WeakPolarHBondContact CB-OE1 2.94Å; T215-E224 WeakPolarHBondContact CG2-OE1 3.24Å; T215-E224 PolarHBondContact N-OE1 2.77Å; T215-E224 PolarHBondContact OG1-OE1 3.4Å; I220-E224 WeakPolarHBondContact CA-OE2 3.49Å; S221-E224 PolarHBondContact N-OE2 3.05Å; S221-E224 PolarHBondContact O-N 2.73Å; S221-E224 VanDerWaalsContact O-N 3.16Å; S221-E224 WeakPolarHBondContact OG-CG 3.36Å; S221-E224 PolarHBondContact OG-N 3.14Å; S221-E224 VanDerWaalsContact OG-N 3.1Å; E224-I227 PolarHBondContact O-N 3.39Å; E224-F228 WeakPolarHBondContact O-CB 3.21Å; E224-F228 PolarHBondContact O-N 3.42Å
225	F	97.6	Very high	95	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-69.3	-41.8	176.1	178.6	-104.6	0	0	0	114	I165 A170 F173 W174 F189 I212 I220 S221 F223 I227 F228 T229 W235	I165-F225 HydrophobicContact CD1-CD1 3.82Å; I165-F225 HydrophobicContact CD1-CE1 3.98Å; I165-F225 HydrophobicContact CG1-CD1 4.44Å; A170-F225 HydrophobicContact CB-CE1 3.85Å; A170-F225 HydrophobicContact CB-CZ 3.98Å; A170-F225 WeakPolarHBondContact O-CE1 3.34Å; F173-F225 HydrophobicContact CD1-CE1 4.15Å; F173-F225 HydrophobicContact CD1-CE2 4.01Å; F173-F225 AromaticContact CD1-CZ 3.43Å; F173-F225 HydrophobicContact CD1-CZ 3.43Å; F173-F225 VanDerWaalsContact CD1-CZ 3.43Å; F173-F225 AromaticContact CE1-CE2 3.93Å; F173-F225 HydrophobicContact CE1-CE2 3.93Å; F173-F225 AromaticContact CE1-CZ 3.84Å; F173-F225 HydrophobicContact CE1-CZ 3.84Å; F173-F225 HydrophobicContact CG-CZ 4.48Å; W174-F225 HydrophobicContact CB-CD1 4.47Å; W174-F225 HydrophobicContact CB-CE1 4.12Å; W174-F225 HydrophobicContact CD2-CD1 4.18Å; W174-F225 HydrophobicContact CE3-CB 3.88Å; W174-F225 AromaticContact CE3-CD1 3.39Å; W174-F225 HydrophobicContact CE3-CD1 3.39Å; W174-F225 HydrophobicContact CE3-CD2 4.22Å; W174-F225 AromaticContact CE3-CE1 3.91Å; W174-F225 HydrophobicContact CE3-CE1 3.91Å; W174-F225 AromaticContact CE3-CG 3.55Å; W174-F225 HydrophobicContact CE3-CG 3.55Å; W174-F225 HydrophobicContact CH2-CB 4.43Å; W174-F225 HydrophobicContact CZ3-CB 3.56Å; W174-F225 HydrophobicContact CZ3-CD1 4.01Å; W174-F225 HydrophobicContact CZ3-CD2 4.28Å; W174-F225 AromaticContact CZ3-CG 3.69Å; W174-F225 HydrophobicContact CZ3-CG 3.69Å; F189-F225 AromaticContact CE2-CD2 3.58Å; F189-F225 HydrophobicContact CE2-CD2 3.58Å; F189-F225 AromaticContact CE2-CE2 3.98Å; F189-F225 HydrophobicContact CE2-CE2 3.98Å; F189-F225 HydrophobicContact CE2-CG 4.37Å; F189-F225 AromaticContact CZ-CD2 3.67Å; F189-F225 HydrophobicContact CZ-CD2 3.67Å; F189-F225 HydrophobicContact CZ-CE2 4.03Å; I212-F225 HydrophobicContact CD1-CD2 4.28Å; I220-F225 HydrophobicContact CG2-CB 4.33Å; S221-F225 WeakPolarHBondContact O-CB 3.16Å; S221-F225 PolarHBondContact O-N 3.36Å; F223-F225 PolarHBondContact O-N 3.47Å; F225-I227 VanDerWaalsContact C-N 3.35Å; F225-I227 PolarHBondContact O-N 3.02Å; F225-F228 PolarHBondContact O-N 2.96Å; F225-T229 HydrophobicContact CD2-CG2 4.04Å; F225-T229 HydrophobicContact CE1-CG2 4.11Å; F225-T229 HydrophobicContact CE2-CG2 3.59Å; F225-T229 HydrophobicContact CG-CG2 4.49Å; F225-T229 HydrophobicContact CZ-CG2 3.63Å; F225-T229 WeakPolarHBondContact O-CB 3.28Å; F225-T229 WeakPolarHBondContact O-CG2 3.22Å; F225-T229 PolarHBondContact O-N 3.17Å; F225-T229 PolarHBondContact O-OG1 2.78Å; F225-W235 HydrophobicContact CE2-CH2 4.21Å; F225-W235 AromaticContact CE2-CZ3 3.89Å; F225-W235 HydrophobicContact CE2-CZ3 3.89Å; F225-W235 AromaticContact CZ-CH2 3.86Å; F225-W235 HydrophobicContact CZ-CH2 3.86Å; F225-W235 AromaticContact CZ-CZ3 3.57Å; F225-W235 HydrophobicContact CZ-CZ3 3.57Å
226	D	96.2	Very high	94.6	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.021	13%	0.132	C	C	.	.	H	α-helix	trans	-57.2	-47.7	169.7	172.3	77.8	0	0	0	111.2	F163 I165 T166 V222 F223 F228 T229 R230	F163-D226 HydrophobicContact CE1-CB 3.88Å; F163-D226 HydrophobicContact CZ-CB 4.17Å; I165-D226 HydrophobicContact CG1-CB 4.39Å; I165-D226 HydrophobicContact CG2-CB 4.48Å; T166-D226 WeakPolarHBondContact CB-OD1 3.35Å; T166-D226 PolarHBondContact N-OD1 3.03Å; T166-D226 PolarHBondContact OG1-OD1 2.97Å; V222-D226 PolarHBondContact O-N 2.86Å; F223-D226 PolarHBondContact O-N 2.87Å; D226-F228 PolarHBondContact O-N 2.97Å; D226-T229 PolarHBondContact O-N 3.49Å; D226-T229 PolarHBondContact O-OG1 2.89Å; D226-R230 WeakPolarHBondContact O-CB 3.16Å; D226-R230 WeakPolarHBondContact O-CD 3.27Å; D226-R230 WeakPolarHBondContact O-CG 3.33Å; D226-R230 PolarHBondContact O-N 3.45Å; D226-R230 VanDerWaalsContact OD1-CD 3.28Å; D226-R230 WeakPolarHBondContact OD1-CD 3.37Å; D226-R230 WeakPolarHBondContact OD2-CD 3.35Å; D226-R230 IonicContact OD2-CZ 2.63Å; D226-R230 IonicContact OD2-NE 3.94Å; D226-R230 IonicContact OD2-NH1 3.98Å; D226-R230 PolarHBondContact OD2-NH1 3.46Å
227	I	96.1	Very high	94.2	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.015	12%	0.117	C	C	.	.	H	α-helix	trans	-58.5	-47.7	177.9	-71.9	164.5	0	0	0	111	L214 F223 E224 F225 R230 L231 L284	L214-I227 HydrophobicContact CD1-CB 4.31Å; L214-I227 HydrophobicContact CD1-CD1 3.98Å; L214-I227 HydrophobicContact CD1-CG2 3.8Å; F223-I227 HydrophobicContact CD1-CD1 3.76Å; F223-I227 HydrophobicContact CD2-CD1 4.49Å; F223-I227 HydrophobicContact CE1-CD1 3.34Å; F223-I227 HydrophobicContact CE2-CD1 4.14Å; F223-I227 HydrophobicContact CG-CD1 4.34Å; F223-I227 HydrophobicContact CZ-CD1 3.58Å; F223-I227 WeakPolarHBondContact O-CG1 3.37Å; F223-I227 PolarHBondContact O-N 3.42Å; E224-I227 PolarHBondContact O-N 3.39Å; F225-I227 VanDerWaalsContact C-N 3.35Å; F225-I227 PolarHBondContact O-N 3.02Å; I227-R230 PolarHBondContact O-N 2.95Å; I227-L231 HydrophobicContact CG2-CD1 3.67Å; I227-L231 HydrophobicContact CG2-CG 4.4Å; I227-L231 WeakPolarHBondContact O-CB 3.39Å; I227-L231 WeakPolarHBondContact O-CD1 3.43Å; I227-L231 WeakPolarHBondContact O-CG 3.36Å; I227-L231 PolarHBondContact O-N 2.92Å; I227-L284 HydrophobicContact CD1-CB 3.77Å; I227-L284 HydrophobicContact CD1-CD1 4.06Å; I227-L284 HydrophobicContact CD1-CG 4.46Å; I227-L284 HydrophobicContact CG1-CB 4.12Å
228	F	96.6	Very high	94	Very high	5 Å²	5	21.7 Å²	21.7	2%	0.022	11%	0.114	C	C	.	.	H	α-helix	trans	-62.9	-49.3	-179.2	-177.5	-95.7	0	0	0	112.3	L208 T211 I212 E224 F225 D226 R230 L231 F232 L238 L239 W242	L208-F228 HydrophobicContact CD1-CE1 4.17Å; L208-F228 HydrophobicContact CD1-CE2 3.8Å; L208-F228 HydrophobicContact CD1-CZ 3.36Å; T211-F228 HydrophobicContact CG2-CD2 4.35Å; T211-F228 HydrophobicContact CG2-CE2 4.05Å; I212-F228 HydrophobicContact CB-CB 4.34Å; I212-F228 HydrophobicContact CB-CD2 3.84Å; I212-F228 HydrophobicContact CB-CE2 4.43Å; I212-F228 HydrophobicContact CB-CG 4.13Å; I212-F228 HydrophobicContact CD1-CB 3.85Å; I212-F228 HydrophobicContact CD1-CD1 4.14Å; I212-F228 HydrophobicContact CD1-CD2 4.48Å; I212-F228 HydrophobicContact CD1-CG 3.9Å; I212-F228 HydrophobicContact CG1-CB 3.81Å; I212-F228 HydrophobicContact CG1-CD2 4.25Å; I212-F228 HydrophobicContact CG1-CG 4.03Å; E224-F228 WeakPolarHBondContact O-CB 3.21Å; E224-F228 PolarHBondContact O-N 3.42Å; F225-F228 PolarHBondContact O-N 2.96Å; D226-F228 PolarHBondContact O-N 2.97Å; F228-R230 VanDerWaalsContact C-N 3.29Å; F228-R230 PolarHBondContact O-N 2.99Å; F228-L231 PolarHBondContact O-N 3.16Å; F228-L231 VanDerWaalsContact O-N 3.1Å; F228-F232 HydrophobicContact CD1-CD2 4.47Å; F228-F232 AromaticContact CD2-CD2 3.6Å; F228-F232 HydrophobicContact CD2-CD2 3.6Å; F228-F232 AromaticContact CD2-CE2 3.66Å; F228-F232 HydrophobicContact CD2-CE2 3.66Å; F228-F232 HydrophobicContact CE1-CD2 4.32Å; F228-F232 AromaticContact CE2-CD2 3.41Å; F228-F232 HydrophobicContact CE2-CD2 3.41Å; F228-F232 VanDerWaalsContact CE2-CD2 3.41Å; F228-F232 AromaticContact CE2-CE2 3.52Å; F228-F232 HydrophobicContact CE2-CE2 3.52Å; F228-F232 HydrophobicContact CE2-CG 4.48Å; F228-F232 HydrophobicContact CG-CD2 4.12Å; F228-F232 AromaticContact CZ-CD2 3.79Å; F228-F232 HydrophobicContact CZ-CD2 3.79Å; F228-F232 HydrophobicContact CZ-CE2 4.31Å; F228-F232 WeakPolarHBondContact O-CD2 3.05Å; F228-F232 PolarHBondContact O-N 2.94Å; F228-L238 HydrophobicContact CD1-CD1 4.19Å; F228-L238 HydrophobicContact CD1-CD2 4.3Å; F228-L238 HydrophobicContact CD1-CG 4.49Å; F228-L238 HydrophobicContact CE1-CD1 3.92Å; F228-L238 HydrophobicContact CE1-CD2 3.83Å; F228-L238 HydrophobicContact CE1-CG 3.83Å; F228-L239 HydrophobicContact CZ-CD2 4.48Å; F228-W242 AromaticContact CE2-CD1 3.76Å; F228-W242 HydrophobicContact CE2-CG 4.22Å; F228-W242 HydrophobicContact CZ-CB 4.13Å; F228-W242 HydrophobicContact CZ-CG 4.01Å
229	T	95.4	Very high	93.6	Very high	4 Å²	4	17.7 Å²	17.7	3%	0.025	9%	0.092	C	C	.	.	H	α-helix	trans	-68.1	-27.2	-178.6	54.5	0	0	0	0	113.1	A170 F225 D226 Q233 W235 L238	A170-T229 HydrophobicContact CB-CG2 3.81Å; F225-T229 HydrophobicContact CD2-CG2 4.04Å; F225-T229 HydrophobicContact CE1-CG2 4.11Å; F225-T229 HydrophobicContact CE2-CG2 3.59Å; F225-T229 HydrophobicContact CG-CG2 4.49Å; F225-T229 HydrophobicContact CZ-CG2 3.63Å; F225-T229 WeakPolarHBondContact O-CB 3.28Å; F225-T229 WeakPolarHBondContact O-CG2 3.22Å; F225-T229 PolarHBondContact O-N 3.17Å; F225-T229 PolarHBondContact O-OG1 2.78Å; D226-T229 PolarHBondContact O-N 3.49Å; D226-T229 PolarHBondContact O-OG1 2.89Å; T229-Q233 WeakPolarHBondContact O-CB 3.49Å; T229-Q233 PolarHBondContact O-N 2.86Å; T229-W235 HydrophobicContact CG2-CE3 3.89Å; T229-W235 HydrophobicContact CG2-CZ3 3.66Å; T229-L238 HydrophobicContact CG2-CD1 4.2Å; T229-L238 HydrophobicContact CG2-CD2 4.26Å
230	R	94.3	Very high	93.1	Very high	51 Å²	51	21.3 Å²	21.3	19%	0.192	11%	0.106	C	C	.	.	H	α-helix	trans	-73.8	-35.6	169	-70.6	161.4	58	-163	-9.4	113.3	T166 K167 D226 I227 F228 Q233 L284 G285	T166-R230 HydrophobicContact CG2-CG 4.39Å; T166-R230 WeakPolarHBondContact OG1-CD 3.17Å; K167-R230 HydrophobicContact CG-CG 4.49Å; D226-R230 WeakPolarHBondContact O-CB 3.16Å; D226-R230 WeakPolarHBondContact O-CD 3.27Å; D226-R230 WeakPolarHBondContact O-CG 3.33Å; D226-R230 PolarHBondContact O-N 3.45Å; D226-R230 VanDerWaalsContact OD1-CD 3.28Å; D226-R230 WeakPolarHBondContact OD1-CD 3.37Å; D226-R230 WeakPolarHBondContact OD2-CD 3.35Å; D226-R230 IonicContact OD2-CZ 2.63Å; D226-R230 IonicContact OD2-NE 3.94Å; D226-R230 IonicContact OD2-NH1 3.98Å; D226-R230 PolarHBondContact OD2-NH1 3.46Å; I227-R230 PolarHBondContact O-N 2.95Å; F228-R230 VanDerWaalsContact C-N 3.29Å; F228-R230 PolarHBondContact O-N 2.99Å; R230-Q233 PolarHBondContact O-NE2 2.82Å; R230-L284 PolarHBondContact NH2-O 2.97Å; R230-G285 PolarHBondContact NH2-O 2.83Å; R230-G285 VanDerWaalsContact NH2-O 3.14Å
231	L	94.2	Very high	92.6	Very high	6 Å²	6	21.3 Å²	21.3	3%	0.031	11%	0.106	C	C	.	.	H	α-helix	trans	-70.1	-41.9	178.9	-73.5	165.8	0	0	0	111.9	I227 F228 L279 W287	I227-L231 HydrophobicContact CG2-CD1 3.67Å; I227-L231 HydrophobicContact CG2-CG 4.4Å; I227-L231 WeakPolarHBondContact O-CB 3.39Å; I227-L231 WeakPolarHBondContact O-CD1 3.43Å; I227-L231 WeakPolarHBondContact O-CG 3.36Å; I227-L231 PolarHBondContact O-N 2.92Å; F228-L231 PolarHBondContact O-N 3.16Å; F228-L231 VanDerWaalsContact O-N 3.1Å; L231-L279 HydrophobicContact CD1-CD1 4.38Å; L231-L279 HydrophobicContact CD1-CD2 3.64Å; L231-L279 HydrophobicContact CD1-CG 3.7Å; L231-L279 HydrophobicContact CD2-CG 4.23Å; L231-W287 HydrophobicContact CB-CZ2 3.86Å; L231-W287 HydrophobicContact CD2-CD2 3.81Å; L231-W287 HydrophobicContact CD2-CG 4.03Å; L231-W287 HydrophobicContact CD2-CZ2 4.03Å; L231-W287 HydrophobicContact CG-CZ2 4.47Å; L231-W287 PolarHBondContact O-NE1 3.14Å
232	F	94.7	Very high	92.4	Very high	1 Å²	1	21.4 Å²	21.4	0%	0.004	11%	0.106	C	C	.	.	S	Bend	trans	-108	20.5	-172.4	-57.2	-70.7	0	0	0	114.4	T211 F228 L238 N241 W242 L245 A246 W287	T211-F232 HydrophobicContact CG2-CE2 3.77Å; T211-F232 HydrophobicContact CG2-CZ 3.88Å; F228-F232 HydrophobicContact CD1-CD2 4.47Å; F228-F232 AromaticContact CD2-CD2 3.6Å; F228-F232 HydrophobicContact CD2-CD2 3.6Å; F228-F232 AromaticContact CD2-CE2 3.66Å; F228-F232 HydrophobicContact CD2-CE2 3.66Å; F228-F232 HydrophobicContact CE1-CD2 4.32Å; F228-F232 AromaticContact CE2-CD2 3.41Å; F228-F232 HydrophobicContact CE2-CD2 3.41Å; F228-F232 VanDerWaalsContact CE2-CD2 3.41Å; F228-F232 AromaticContact CE2-CE2 3.52Å; F228-F232 HydrophobicContact CE2-CE2 3.52Å; F228-F232 HydrophobicContact CE2-CG 4.48Å; F228-F232 HydrophobicContact CG-CD2 4.12Å; F228-F232 AromaticContact CZ-CD2 3.79Å; F228-F232 HydrophobicContact CZ-CD2 3.79Å; F228-F232 HydrophobicContact CZ-CE2 4.31Å; F228-F232 WeakPolarHBondContact O-CD2 3.05Å; F228-F232 PolarHBondContact O-N 2.94Å; F232-L238 HydrophobicContact CB-CD1 3.91Å; F232-N241 HydrophobicContact CB-CB 4.38Å; F232-N241 VanDerWaalsContact O-CB 3.28Å; F232-N241 WeakPolarHBondContact O-CB 3.37Å; F232-N241 PolarHBondContact O-ND2 3.35Å; F232-W242 HydrophobicContact CB-CB 4.24Å; F232-W242 VanDerWaalsContact CD1-CA 3.44Å; F232-W242 HydrophobicContact CD1-CB 3.86Å; F232-W242 HydrophobicContact CD2-CB 4.27Å; F232-W242 HydrophobicContact CE1-CB 4.27Å; F232-W242 AromaticContact CE2-CD1 3.85Å; F232-W242 HydrophobicContact CG-CB 3.85Å; F232-W242 AromaticContact CZ-CD1 3.74Å; F232-L245 HydrophobicContact CD1-CB 4.49Å; F232-L245 HydrophobicContact CD1-CD1 4.49Å; F232-L245 HydrophobicContact CE1-CB 4.33Å; F232-A246 HydrophobicContact CE1-CB 3.83Å; F232-A246 HydrophobicContact CZ-CB 3.91Å; F232-W287 HydrophobicContact CD1-CZ2 4.01Å; F232-W287 AromaticContact CE1-CH2 3.62Å; F232-W287 HydrophobicContact CE1-CH2 3.62Å; F232-W287 AromaticContact CE1-CZ2 3.46Å; F232-W287 HydrophobicContact CE1-CZ2 3.46Å; F232-W287 VanDerWaalsContact CE1-CZ2 3.46Å; F232-W287 AromaticContact CZ-CH2 3.72Å; F232-W287 HydrophobicContact CZ-CH2 3.72Å; F232-W287 AromaticContact CZ-CZ2 3.75Å; F232-W287 HydrophobicContact CZ-CZ2 3.75Å
233	Q	89.1	Confident	91.8	Very high	45 Å²	45	23.6 Å²	23.6	21%	0.21	12%	0.118	C	C	.	.			trans	-55	151.9	175.1	74.7	-173.6	-82.9	0	0	112.9	T229 R230 P307	T229-Q233 WeakPolarHBondContact O-CB 3.49Å; T229-Q233 PolarHBondContact O-N 2.86Å; R230-Q233 PolarHBondContact O-NE2 2.82Å; Q233-P307 HydrophobicContact CG-CB 3.97Å
234	P	89.8	Confident	91.3	Very high	51 Å²	51	24.2 Å²	24.2	33%	0.331	13%	0.125	S	C	.	.			cis	-71.8	171.2	0.5	31.4	-37.4	0	0	0	113.8	L238 N241	P234-L238 PolarHBondContact O-N 3.16Å; P234-N241 WeakPolarHBondContact CD-ND2 3.38Å; P234-N241 PolarHBondContact O-ND2 3.5Å
235	W	91.1	Very high	91	Very high	33 Å²	33	24.3 Å²	24.3	13%	0.125	13%	0.125	C	C	.	.	S	Bend	trans	-68.7	-40.9	179.8	175.5	-103.2	0	0	0	112.5	D169 A170 F173 L193 H197 F225 T229 S237 L238	D169-W235 HydrophobicContact CB-CB 3.82Å; D169-W235 VanDerWaalsContact CB-CD1 3.49Å; D169-W235 HydrophobicContact CB-CD2 4.41Å; D169-W235 HydrophobicContact CB-CG 3.65Å; D169-W235 WeakPolarHBondContact OD2-CB 3.36Å; A170-W235 HydrophobicContact CB-CE3 3.82Å; A170-W235 HydrophobicContact CB-CZ3 4.04Å; F173-W235 HydrophobicContact CB-CH2 3.77Å; F173-W235 HydrophobicContact CB-CZ2 3.55Å; F173-W235 AromaticContact CD1-CH2 3.63Å; F173-W235 HydrophobicContact CD1-CH2 3.63Å; F173-W235 HydrophobicContact CD1-CZ2 4.21Å; F173-W235 AromaticContact CD2-CH2 3.98Å; F173-W235 HydrophobicContact CD2-CH2 3.98Å; F173-W235 AromaticContact CD2-CZ2 3.82Å; F173-W235 HydrophobicContact CD2-CZ2 3.82Å; F173-W235 HydrophobicContact CE1-CH2 4.2Å; F173-W235 AromaticContact CG-CH2 3.5Å; F173-W235 HydrophobicContact CG-CH2 3.5Å; F173-W235 VanDerWaalsContact CG-CH2 3.5Å; F173-W235 AromaticContact CG-CZ2 3.58Å; F173-W235 HydrophobicContact CG-CZ2 3.58Å; L193-W235 HydrophobicContact CD1-CH2 4.06Å; H197-W235 PolarHBondContact CE1-O 2.86Å; H197-W235 AromaticContact NE2-CD2 3.65Å; H197-W235 AromaticContact NE2-CE2 3.39Å; H197-W235 AromaticContact NE2-CE3 3.98Å; H197-W235 AromaticContact NE2-CH2 3.83Å; H197-W235 AromaticContact NE2-CZ2 3.5Å; H197-W235 WeakPolarHBondContact NE2-CZ2 3.5Å; H197-W235 AromaticContact NE2-NE1 3.86Å; H197-W235 PolarHBondContact NE2-O 3.06Å; F225-W235 HydrophobicContact CE2-CH2 4.21Å; F225-W235 AromaticContact CE2-CZ3 3.89Å; F225-W235 HydrophobicContact CE2-CZ3 3.89Å; F225-W235 AromaticContact CZ-CH2 3.86Å; F225-W235 HydrophobicContact CZ-CH2 3.86Å; F225-W235 AromaticContact CZ-CZ3 3.57Å; F225-W235 HydrophobicContact CZ-CZ3 3.57Å; T229-W235 HydrophobicContact CG2-CE3 3.89Å; T229-W235 HydrophobicContact CG2-CZ3 3.66Å; W235-S237 PolarHBondContact O-N 2.78Å; W235-S237 VanDerWaalsContact O-N 3.11Å; W235-L238 HydrophobicContact CE3-CD2 3.79Å; W235-L238 HydrophobicContact CH2-CD2 4.34Å; W235-L238 HydrophobicContact CZ3-CD2 3.57Å; W235-L238 VanDerWaalsContact O-CB 3.3Å; W235-L238 WeakPolarHBondContact O-CB 3.32Å; W235-L238 PolarHBondContact O-N 3.47Å
236	S	86	Confident	90.5	Very high	80 Å²	80	24.8 Å²	24.8	56%	0.559	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.1	-48.3	180	55.8	0	0	0	0	113.2	E338	S236-E338 PolarHBondContact OG-OE2 2.89Å
237	S	85.5	Confident	89.9	Confident	6 Å²	6	27 Å²	27	4%	0.042	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	18.1	-177.4	28.2	0	0	0	0	114.1	W235 L239 R240 N241 E338	W235-S237 PolarHBondContact O-N 2.78Å; W235-S237 VanDerWaalsContact O-N 3.11Å; S237-L239 PolarHBondContact O-N 3.26Å; S237-L239 VanDerWaalsContact O-N 3.1Å; S237-R240 CarbonylContact O-C 3.53Å; S237-R240 WeakPolarHBondContact O-CA 3.27Å; S237-R240 VanDerWaalsContact O-CB 3.29Å; S237-R240 WeakPolarHBondContact O-CB 3.35Å; S237-R240 PolarHBondContact O-N 3.27Å; S237-N241 WeakPolarHBondContact CB-ND2 3.28Å; S237-N241 VanDerWaalsContact O-CG 3.29Å; S237-N241 PolarHBondContact O-N 2.93Å; S237-N241 PolarHBondContact O-ND2 3.36Å; S237-N241 PolarHBondContact OG-ND2 3.33Å; S237-N241 VanDerWaalsContact OG-ND2 3.08Å; S237-E338 WeakPolarHBondContact CB-OE1 3.48Å; S237-E338 WeakPolarHBondContact CB-OE2 3.28Å; S237-E338 PolarHBondContact OG-OE2 2.84Å
238	L	88.7	Confident	89.3	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-42.4	-54	-170.5	-177.2	72.4	0	0	0	114.8	F228 T229 F232 P234 W235 W242	F228-L238 HydrophobicContact CD1-CD1 4.19Å; F228-L238 HydrophobicContact CD1-CD2 4.3Å; F228-L238 HydrophobicContact CD1-CG 4.49Å; F228-L238 HydrophobicContact CE1-CD1 3.92Å; F228-L238 HydrophobicContact CE1-CD2 3.83Å; F228-L238 HydrophobicContact CE1-CG 3.83Å; T229-L238 HydrophobicContact CG2-CD1 4.2Å; T229-L238 HydrophobicContact CG2-CD2 4.26Å; F232-L238 HydrophobicContact CB-CD1 3.91Å; P234-L238 PolarHBondContact O-N 3.16Å; W235-L238 HydrophobicContact CE3-CD2 3.79Å; W235-L238 HydrophobicContact CH2-CD2 4.34Å; W235-L238 HydrophobicContact CZ3-CD2 3.57Å; W235-L238 VanDerWaalsContact O-CB 3.3Å; W235-L238 WeakPolarHBondContact O-CB 3.32Å; W235-L238 PolarHBondContact O-N 3.47Å; L238-W242 WeakPolarHBondContact O-CB 3.37Å; L238-W242 PolarHBondContact O-N 3.14Å
239	L	87.5	Confident	88.9	Confident	15 Å²	15	30.4 Å²	30.4	8%	0.079	17%	0.165	C	C	.	.	H	α-helix	trans	-74.4	-29.8	-179.8	-64.8	-170.2	0	0	0	113.3	H197 I199 L208 F228 S237 W242 N243	H197-L239 HydrophobicContact CB-CD1 3.57Å; H197-L239 HydrophobicContact CB-CG 3.77Å; H197-L239 WeakPolarHBondContact O-CD1 3.38Å; I199-L239 HydrophobicContact CG1-CD1 3.92Å; L208-L239 HydrophobicContact CD1-CD2 3.76Å; L208-L239 HydrophobicContact CD2-CD2 3.82Å; L208-L239 HydrophobicContact CG-CD2 4.45Å; F228-L239 HydrophobicContact CZ-CD2 4.48Å; S237-L239 PolarHBondContact O-N 3.26Å; S237-L239 VanDerWaalsContact O-N 3.1Å; L239-W242 HydrophobicContact CD2-CE3 4.33Å; L239-W242 PolarHBondContact O-N 3.33Å; L239-N243 VanDerWaalsContact O-CB 3.27Å; L239-N243 WeakPolarHBondContact O-CB 3.47Å; L239-N243 PolarHBondContact O-N 2.98Å
240	R	85.2	Confident	88.7	Confident	116 Å²	116	31.1 Å²	31.1	44%	0.438	17%	0.169	S	C	.	.	H	α-helix	trans	-65.6	-47.2	173.3	-173	-177.4	-176.4	-147.3	-7.7	110.2	S237 N243 S244 G335 L336 E338	S237-R240 CarbonylContact O-C 3.53Å; S237-R240 WeakPolarHBondContact O-CA 3.27Å; S237-R240 VanDerWaalsContact O-CB 3.29Å; S237-R240 WeakPolarHBondContact O-CB 3.35Å; S237-R240 PolarHBondContact O-N 3.27Å; R240-N243 PolarHBondContact O-N 3.37Å; R240-S244 WeakPolarHBondContact O-CB 2.99Å; R240-S244 PolarHBondContact O-N 3.4Å; R240-S244 PolarHBondContact O-OG 2.77Å; R240-G335 VanDerWaalsContact CZ-O 3.25Å; R240-G335 PolarHBondContact NH1-O 3.37Å; R240-G335 PolarHBondContact NH2-O 3.49Å; R240-L336 HydrophobicContact CG-CD2 4.01Å; R240-E338 IonicContact CZ-OE1 3.81Å; R240-E338 IonicContact NH1-OE1 2.71Å; R240-E338 PolarHBondContact NH1-OE1 2.83Å
241	N	89.1	Confident	88.7	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.2	-46.4	174.2	-63.7	-31.2	0	0	0	111	F232 P234 S237 L245	F232-N241 HydrophobicContact CB-CB 4.38Å; F232-N241 VanDerWaalsContact O-CB 3.28Å; F232-N241 WeakPolarHBondContact O-CB 3.37Å; F232-N241 PolarHBondContact O-ND2 3.35Å; P234-N241 WeakPolarHBondContact CD-ND2 3.38Å; P234-N241 PolarHBondContact O-ND2 3.5Å; S237-N241 WeakPolarHBondContact CB-ND2 3.28Å; S237-N241 VanDerWaalsContact O-CG 3.29Å; S237-N241 PolarHBondContact O-N 2.93Å; S237-N241 PolarHBondContact O-ND2 3.36Å; S237-N241 PolarHBondContact OG-ND2 3.33Å; S237-N241 VanDerWaalsContact OG-ND2 3.08Å; N241-L245 HydrophobicContact CB-CD1 4.49Å; N241-L245 WeakPolarHBondContact O-CB 3.43Å; N241-L245 VanDerWaalsContact O-CG 3.23Å; N241-L245 WeakPolarHBondContact O-CG 3.33Å; N241-L245 PolarHBondContact O-N 3.38Å
242	W	92.6	Very high	88.7	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-60.8	-45.2	174.6	166.1	76.6	0	0	0	113	E204 A207 L208 T211 F228 F232 L238 L239 L245 A246 V247	E204-W242 HydrophobicContact CG-CH2 3.93Å; E204-W242 HydrophobicContact CG-CZ3 3.71Å; A207-W242 HydrophobicContact CB-CH2 3.99Å; A207-W242 HydrophobicContact CB-CZ2 3.93Å; L208-W242 HydrophobicContact CB-CH2 3.82Å; L208-W242 HydrophobicContact CB-CZ2 3.9Å; L208-W242 HydrophobicContact CB-CZ3 4.3Å; L208-W242 HydrophobicContact CD1-CD2 4.04Å; L208-W242 HydrophobicContact CD1-CE3 4.31Å; L208-W242 HydrophobicContact CD1-CG 4.45Å; L208-W242 HydrophobicContact CD1-CZ2 4.4Å; L208-W242 VanDerWaalsContact N-CZ2 3.25Å; T211-W242 PolarHBondContact OG1-NE1 3.4Å; F228-W242 AromaticContact CE2-CD1 3.76Å; F228-W242 HydrophobicContact CE2-CG 4.22Å; F228-W242 HydrophobicContact CZ-CB 4.13Å; F228-W242 HydrophobicContact CZ-CG 4.01Å; F232-W242 HydrophobicContact CB-CB 4.24Å; F232-W242 VanDerWaalsContact CD1-CA 3.44Å; F232-W242 HydrophobicContact CD1-CB 3.86Å; F232-W242 HydrophobicContact CD2-CB 4.27Å; F232-W242 HydrophobicContact CE1-CB 4.27Å; F232-W242 AromaticContact CE2-CD1 3.85Å; F232-W242 HydrophobicContact CG-CB 3.85Å; F232-W242 AromaticContact CZ-CD1 3.74Å; L238-W242 WeakPolarHBondContact O-CB 3.37Å; L238-W242 PolarHBondContact O-N 3.14Å; L239-W242 HydrophobicContact CD2-CE3 4.33Å; L239-W242 PolarHBondContact O-N 3.33Å; W242-L245 PolarHBondContact O-N 3.1Å; W242-A246 WeakPolarHBondContact O-CA 3.48Å; W242-A246 WeakPolarHBondContact O-CB 3.45Å; W242-A246 PolarHBondContact O-N 3.34Å; W242-V247 HydrophobicContact CD2-CG2 4.08Å; W242-V247 HydrophobicContact CE3-CG2 4.2Å; W242-V247 HydrophobicContact CH2-CG2 3.5Å; W242-V247 VanDerWaalsContact CH2-CG2 3.5Å; W242-V247 HydrophobicContact CZ2-CG2 3.3Å; W242-V247 HydrophobicContact CZ3-CG2 3.95Å; W242-V247 PolarHBondContact O-N 2.84Å
243	N	84.2	Confident	88.5	Confident	50 Å²	50	31.2 Å²	31.2	27%	0.267	17%	0.171	S	C	.	.	I	π-helix	trans	-65.2	-46.9	179.8	-165.3	-48.3	0	0	0	111.1	E204 L239 R240 V247 T248	E204-N243 PolarHBondContact OE1-ND2 3.26Å; L239-N243 VanDerWaalsContact O-CB 3.27Å; L239-N243 WeakPolarHBondContact O-CB 3.47Å; L239-N243 PolarHBondContact O-N 2.98Å; R240-N243 PolarHBondContact O-N 3.37Å; N243-V247 WeakPolarHBondContact O-CB 3.43Å; N243-V247 PolarHBondContact O-N 3.44Å; N243-V247 VanDerWaalsContact O-N 3.16Å; N243-T248 PolarHBondContact O-N 3.15Å; N243-T248 PolarHBondContact O-OG1 2.75Å
244	S	86	Confident	88.3	Confident	35 Å²	35	31.4 Å²	31.4	25%	0.245	18%	0.18	C	C	.	.	I	π-helix	trans	-67.5	-33.6	177.7	-67.7	0	0	0	0	114.3	R240 T248 H249	R240-S244 WeakPolarHBondContact O-CB 2.99Å; R240-S244 PolarHBondContact O-N 3.4Å; R240-S244 PolarHBondContact O-OG 2.77Å; S244-T248 WeakPolarHBondContact CA-OG1 3.29Å; S244-T248 PolarHBondContact O-OG1 2.94Å; S244-H249 WeakPolarHBondContact O-CB 3.26Å
245	L	90.3	Very high	87.9	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.01	18%	0.179	C	C	.	.	I	π-helix	trans	-96.6	-28.9	-176	-64.9	169.1	0	0	0	114.5	F232 N241 W242 H249 Y252 F277 L308 F309 L312 L333 L336	F232-L245 HydrophobicContact CD1-CB 4.49Å; F232-L245 HydrophobicContact CD1-CD1 4.49Å; F232-L245 HydrophobicContact CE1-CB 4.33Å; N241-L245 HydrophobicContact CB-CD1 4.49Å; N241-L245 WeakPolarHBondContact O-CB 3.43Å; N241-L245 VanDerWaalsContact O-CG 3.23Å; N241-L245 WeakPolarHBondContact O-CG 3.33Å; N241-L245 PolarHBondContact O-N 3.38Å; W242-L245 PolarHBondContact O-N 3.1Å; L245-H249 VanDerWaalsContact O-CB 3.31Å; L245-H249 WeakPolarHBondContact O-CB 3.2Å; L245-Y252 WeakPolarHBondContact O-CB 3.49Å; L245-F277 WeakPolarHBondContact O-CE2 3.45Å; L245-F277 WeakPolarHBondContact O-CZ 3.29Å; L245-L308 HydrophobicContact CB-CD2 4.46Å; L245-L308 HydrophobicContact CD1-CB 4.16Å; L245-L308 HydrophobicContact CD1-CD2 4.27Å; L245-L308 HydrophobicContact CD2-CD2 4.02Å; L245-L308 HydrophobicContact CD2-CG 4.23Å; L245-L308 HydrophobicContact CG-CD2 4.49Å; L245-F309 HydrophobicContact CD2-CB 4.26Å; L245-L312 HydrophobicContact CD2-CD1 4Å; L245-L333 HydrophobicContact CD2-CD1 4.09Å; L245-L333 HydrophobicContact CD2-CD2 4.43Å; L245-L336 HydrophobicContact CG-CD1 4.38Å
246	A	88.4	Confident	87.6	Confident	11 Å²	11	32.2 Å²	32.2	9%	0.091	18%	0.18	C	C	.	.	I	π-helix	trans	-121.2	-25.5	-173.8	0	0	0	0	0	115.1	F232 W242 Y252	F232-A246 HydrophobicContact CE1-CB 3.83Å; F232-A246 HydrophobicContact CZ-CB 3.91Å; W242-A246 WeakPolarHBondContact O-CA 3.48Å; W242-A246 WeakPolarHBondContact O-CB 3.45Å; W242-A246 PolarHBondContact O-N 3.34Å; A246-Y252 HydrophobicContact CB-CD1 3.99Å; A246-Y252 HydrophobicContact CB-CE1 3.77Å; A246-Y252 HydrophobicContact CB-CG 4.43Å; A246-Y252 WeakPolarHBondContact O-CD1 3.18Å; A246-Y252 WeakPolarHBondContact O-CE1 3.34Å
247	V	83	Confident	87.7	Confident	49 Å²	49	29 Å²	29	30%	0.297	16%	0.158	S	C	.	.	I	π-helix	trans	-92.9	-38.8	179.4	-176.4	0	0	0	0	111.9	I11 W242 N243	I11-V247 WeakPolarHBondContact CD1-O 2.96Å; W242-V247 HydrophobicContact CD2-CG2 4.08Å; W242-V247 HydrophobicContact CE3-CG2 4.2Å; W242-V247 HydrophobicContact CH2-CG2 3.5Å; W242-V247 VanDerWaalsContact CH2-CG2 3.5Å; W242-V247 HydrophobicContact CZ2-CG2 3.3Å; W242-V247 HydrophobicContact CZ3-CG2 3.95Å; W242-V247 PolarHBondContact O-N 2.84Å; N243-V247 WeakPolarHBondContact O-CB 3.43Å; N243-V247 PolarHBondContact O-N 3.44Å; N243-V247 VanDerWaalsContact O-N 3.16Å
248	T	83.7	Confident	87.9	Confident	80 Å²	80	34.1 Å²	34.1	49%	0.491	18%	0.177	S	C	.	.	S	Bend	trans	-109.5	-25.9	-173.9	56.2	0	0	0	0	114.3	N243 S244 P250	N243-T248 PolarHBondContact O-N 3.15Å; N243-T248 PolarHBondContact O-OG1 2.75Å; S244-T248 WeakPolarHBondContact CA-OG1 3.29Å; S244-T248 PolarHBondContact O-OG1 2.94Å; T248-P250 WeakPolarHBondContact O-CD 3.29Å
249	H	88.1	Confident	88	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.188	C	C	.	.			trans	-65.7	119.8	-174	-160	-91.6	0	0	0	112.8	S244 L245 G251 Y252 Y275 F277	S244-H249 WeakPolarHBondContact O-CB 3.26Å; L245-H249 VanDerWaalsContact O-CB 3.31Å; L245-H249 WeakPolarHBondContact O-CB 3.2Å; H249-G251 WeakPolarHBondContact ND1-CA 3.33Å; H249-G251 PolarHBondContact ND1-N 2.99Å; H249-G251 PolarHBondContact O-N 3.06Å; H249-Y252 PolarHBondContact O-N 3.3Å; H249-Y252 VanDerWaalsContact O-N 3.15Å; H249-Y275 AromaticContact CE1-CZ 3.97Å; H249-Y275 PolarHBondContact CE1-OH 2.81Å; H249-Y275 VanDerWaalsContact CE1-OH 3.22Å; H249-Y275 PolarHBondContact NE2-OH 2.98Å; H249-F277 HydrophobicContact CB-CZ 4.02Å; H249-F277 AromaticContact CE1-CE1 3.42Å; H249-F277 VanDerWaalsContact CE1-CE1 3.42Å; H249-F277 WeakPolarHBondContact CE1-CE1 3.17Å; H249-F277 AromaticContact CG-CE1 3.85Å; H249-F277 AromaticContact CG-CZ 3.66Å; H249-F277 AromaticContact ND1-CE1 3.15Å; H249-F277 WeakPolarHBondContact ND1-CE1 3.4Å; H249-F277 AromaticContact ND1-CZ 3.35Å; H249-F277 WeakPolarHBondContact ND1-CZ 3.33Å
250	P	91.4	Very high	88.1	Confident	19 Å²	19	38 Å²	38	12%	0.123	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-18.3	-175.6	27.6	-32	0	0	0	113.7	T248 M253 P324 D325 R327 P331	T248-P250 WeakPolarHBondContact O-CD 3.29Å; P250-M253 VanDerWaalsContact O-CE 3.31Å; P250-M253 WeakPolarHBondContact O-CE 3.47Å; P250-P324 HydrophobicContact CG-CB 4.02Å; P250-P324 HydrophobicContact CG-CG 3.82Å; P250-D325 VanDerWaalsContact O-CB 3.31Å; P250-D325 WeakPolarHBondContact O-CB 3.4Å; P250-R327 VanDerWaalsContact CB-CZ 3.5Å; P250-P331 VanDerWaalsContact CD-CG 3.44Å; P250-P331 HydrophobicContact CG-CG 4Å
251	G	93.8	Very high	88.5	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-7.9	175.1	0	0	0	0	0	114.5	H249 I276 F277	H249-G251 WeakPolarHBondContact ND1-CA 3.33Å; H249-G251 PolarHBondContact ND1-N 2.99Å; H249-G251 PolarHBondContact O-N 3.06Å; G251-I276 CarbonylContact O-C 3.59Å; G251-I276 VanDerWaalsContact O-CA 3.23Å; G251-I276 WeakPolarHBondContact O-CA 3.4Å; G251-I276 WeakPolarHBondContact O-CB 3.29Å; G251-F277 PolarHBondContact O-N 3.07Å
252	Y	94.7	Very high	88.7	Confident	37 Å²	37	37.4 Å²	37.4	15%	0.145	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-75.3	134.7	175.2	173.3	-117.4	0	0	0	111.1	L245 A246 H249 A254 F277 L279 W287	L245-Y252 WeakPolarHBondContact O-CB 3.49Å; A246-Y252 HydrophobicContact CB-CD1 3.99Å; A246-Y252 HydrophobicContact CB-CE1 3.77Å; A246-Y252 HydrophobicContact CB-CG 4.43Å; A246-Y252 WeakPolarHBondContact O-CD1 3.18Å; A246-Y252 WeakPolarHBondContact O-CE1 3.34Å; H249-Y252 PolarHBondContact O-N 3.3Å; H249-Y252 VanDerWaalsContact O-N 3.15Å; Y252-A254 HydrophobicContact CE1-CB 3.9Å; Y252-F277 AromaticContact CD2-CD2 3.88Å; Y252-F277 HydrophobicContact CD2-CD2 3.88Å; Y252-F277 AromaticContact CD2-CE2 3.68Å; Y252-F277 HydrophobicContact CD2-CE2 3.68Å; Y252-F277 HydrophobicContact CG-CE2 4.05Å; Y252-L279 HydrophobicContact CE2-CD1 4Å; Y252-W287 HydrophobicContact CD2-CH2 4.44Å; Y252-W287 AromaticContact CD2-CZ3 3.95Å; Y252-W287 HydrophobicContact CD2-CZ3 3.95Å; Y252-W287 HydrophobicContact CE2-CH2 4.2Å; Y252-W287 AromaticContact CE2-CZ3 3.81Å; Y252-W287 HydrophobicContact CE2-CZ3 3.81Å
253	M	90.4	Very high	88.7	Confident	23 Å²	23	40.4 Å²	40.4	11%	0.113	22%	0.222	C	C	.	.			trans	-134.1	97.8	-179.7	-60.8	-71.2	147.5	0	0	110.5	P250 L256 R264 I276 F277 R278 D325	P250-M253 VanDerWaalsContact O-CE 3.31Å; P250-M253 WeakPolarHBondContact O-CE 3.47Å; M253-L256 HydrophobicContact CB-CD1 3.48Å; M253-L256 VanDerWaalsContact CB-CD1 3.48Å; M253-L256 HydrophobicContact CB-CG 4.02Å; M253-L256 HydrophobicContact CG-CD1 4.04Å; M253-R264 PolarHBondContact SD-NH1 2.81Å; M253-I276 HydrophobicContact CE-CG2 4.19Å; M253-I276 HydrophobicContact CG-CB 4.01Å; M253-I276 HydrophobicContact CG-CD1 4.32Å; M253-I276 HydrophobicContact CG-CG2 4.08Å; M253-F277 PolarHBondContact N-O 3.46Å; M253-R278 WeakPolarHBondContact O-CB 3.47Å; M253-D325 HydrophobicContact CE-CB 3.83Å
254	A	85.4	Confident	89.2	Confident	48 Å²	48	42.1 Å²	42.1	40%	0.397	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	146.8	175.2	0	0	0	0	0	112.3	Y252 L256	Y252-A254 HydrophobicContact CE1-CB 3.9Å; A254-L256 PolarHBondContact O-N 2.86Å
255	F	80	Confident	89.8	Confident	71 Å²	71	40.5 Å²	40.5	31%	0.311	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	44.4	174.1	-58.8	-82.4	0	0	0	116.2	K137 L140	K137-F255 HydrophobicContact CG-CB 4.13Å; L140-F255 HydrophobicContact CB-CD1 4.4Å; L140-F255 HydrophobicContact CD1-CB 3.78Å; L140-F255 HydrophobicContact CD1-CD1 3.91Å; L140-F255 HydrophobicContact CD1-CG 4.35Å
256	L	86.1	Confident	90.1	Very high	30 Å²	30	45 Å²	45	16%	0.157	23%	0.234	C	C	.	.			trans	-107.4	149	171.8	-70.7	-169.4	0	0	0	113.9	M253 A254 E260 V261 R278	M253-L256 HydrophobicContact CB-CD1 3.48Å; M253-L256 VanDerWaalsContact CB-CD1 3.48Å; M253-L256 HydrophobicContact CB-CG 4.02Å; M253-L256 HydrophobicContact CG-CD1 4.04Å; A254-L256 PolarHBondContact O-N 2.86Å; L256-E260 HydrophobicContact CD2-CB 3.93Å; L256-V261 HydrophobicContact CB-CG2 4.25Å; L256-V261 HydrophobicContact CD1-CG2 4.16Å; L256-R278 WeakPolarHBondContact O-CD 3.45Å; L256-R278 PolarHBondContact O-NH1 2.84Å
257	T	88.4	Confident	90.4	Very high	14 Å²	14	52.2 Å²	52.2	9%	0.086	26%	0.263	C	S	.	.			trans	-89.5	172.9	170.1	62.8	0	0	0	0	112.8	T136 D259 E260 V261	T136-T257 HydrophobicContact CG2-CG2 3.61Å; T257-D259 VanDerWaalsContact C-N 3.33Å; T257-D259 PolarHBondContact O-N 2.9Å; T257-E260 WeakPolarHBondContact CB-OE2 3.45Å; T257-E260 WeakPolarHBondContact CG2-OE2 3.12Å; T257-E260 PolarHBondContact N-OE2 3.42Å; T257-E260 WeakPolarHBondContact OG1-CG 3.48Å; T257-E260 PolarHBondContact OG1-N 2.98Å; T257-E260 PolarHBondContact OG1-OE2 2.95Å; T257-V261 WeakPolarHBondContact O-CG2 3.42Å; T257-V261 PolarHBondContact O-N 3.37Å; T257-V261 VanDerWaalsContact O-N 3.16Å
258	Y	89.9	Confident	91	Very high	112 Å²	112	52.4 Å²	52.4	44%	0.439	26%	0.26	S	S	.	.	H	α-helix	trans	-59.6	-43	174	-179.6	-85.9	0	0	0	112.2	V261 K262 Q300	Y258-V261 PolarHBondContact O-N 2.9Å; Y258-K262 PolarHBondContact O-N 2.77Å; Y258-K262 VanDerWaalsContact O-N 3.15Å; Y258-Q300 HydrophobicContact CD2-CB 4.25Å; Y258-Q300 VanDerWaalsContact CD2-CD 3.41Å; Y258-Q300 HydrophobicContact CD2-CG 4.42Å; Y258-Q300 HydrophobicContact CE2-CB 3.77Å; Y258-Q300 HydrophobicContact CE2-CG 4.28Å; Y258-Q300 PolarHBondContact O-NE2 3.21Å
259	D	88.8	Confident	91.7	Very high	48 Å²	48	50 Å²	50	26%	0.257	24%	0.244	S	C	.	.	H	α-helix	trans	-71.5	-37.4	-177	-69.5	-29.5	0	0	0	112.1	S64 T257 K262 A263	S64-D259 VanDerWaalsContact CB-OD2 3.23Å; S64-D259 WeakPolarHBondContact CB-OD2 3.44Å; S64-D259 PolarHBondContact OG-OD2 3.18Å; T257-D259 VanDerWaalsContact C-N 3.33Å; T257-D259 PolarHBondContact O-N 2.9Å; D259-K262 PolarHBondContact O-N 2.85Å; D259-A263 WeakPolarHBondContact O-CB 2.89Å; D259-A263 PolarHBondContact O-N 3.25Å
260	E	90.3	Very high	92.1	Very high	51 Å²	51	58.6 Å²	58.6	24%	0.238	28%	0.284	C	S	.	.	H	α-helix	trans	-69.6	-34.9	175.7	-68.9	164.4	122.2	0	0	112.3	L256 T257 K262 A263 R264	L256-E260 HydrophobicContact CD2-CB 3.93Å; T257-E260 WeakPolarHBondContact CB-OE2 3.45Å; T257-E260 WeakPolarHBondContact CG2-OE2 3.12Å; T257-E260 PolarHBondContact N-OE2 3.42Å; T257-E260 WeakPolarHBondContact OG1-CG 3.48Å; T257-E260 PolarHBondContact OG1-N 2.98Å; T257-E260 PolarHBondContact OG1-OE2 2.95Å; E260-K262 VanDerWaalsContact C-N 3.34Å; E260-A263 PolarHBondContact O-N 3.42Å; E260-R264 VanDerWaalsContact O-CB 3.29Å; E260-R264 WeakPolarHBondContact O-CB 3.37Å; E260-R264 PolarHBondContact O-N 2.87Å
261	V	94.5	Very high	92.3	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.006	29%	0.29	C	S	.	.	H	α-helix	trans	-60.6	-45.9	170.7	163.8	0	0	0	0	110.4	L256 T257 Y258 R264 L265 I276 R278 Q300	L256-V261 HydrophobicContact CB-CG2 4.25Å; L256-V261 HydrophobicContact CD1-CG2 4.16Å; T257-V261 WeakPolarHBondContact O-CG2 3.42Å; T257-V261 PolarHBondContact O-N 3.37Å; T257-V261 VanDerWaalsContact O-N 3.16Å; Y258-V261 PolarHBondContact O-N 2.9Å; V261-R264 PolarHBondContact O-N 3.46Å; V261-L265 HydrophobicContact CG1-CD1 3.85Å; V261-L265 WeakPolarHBondContact O-CB 3.28Å; V261-L265 WeakPolarHBondContact O-CG 3.33Å; V261-L265 PolarHBondContact O-N 3.06Å; V261-I276 HydrophobicContact CB-CD1 4.26Å; V261-I276 HydrophobicContact CG1-CD1 4.03Å; V261-I276 HydrophobicContact CG1-CG1 4.08Å; V261-I276 HydrophobicContact CG2-CD1 4.02Å; V261-I276 HydrophobicContact CG2-CG1 4.41Å; V261-R278 HydrophobicContact CG2-CG 4.31Å; V261-Q300 VanDerWaalsContact CG1-CD 3.49Å; V261-Q300 HydrophobicContact CG1-CG 3.89Å
262	K	93.4	Very high	92.5	Very high	102 Å²	102	63 Å²	63	44%	0.443	31%	0.307	S	S	.	.	H	α-helix	trans	-61.3	-48.4	175.3	-170.1	175.7	-180	177	0	111.5	Y258 D259 E260 R264 L265 Q266 I298	Y258-K262 PolarHBondContact O-N 2.77Å; Y258-K262 VanDerWaalsContact O-N 3.15Å; D259-K262 PolarHBondContact O-N 2.85Å; E260-K262 VanDerWaalsContact C-N 3.34Å; K262-R264 VanDerWaalsContact C-N 3.28Å; K262-R264 PolarHBondContact O-N 3.27Å; K262-L265 PolarHBondContact O-N 2.86Å; K262-Q266 WeakPolarHBondContact O-CB 3.2Å; K262-Q266 PolarHBondContact O-N 3.03Å; K262-I298 HydrophobicContact CG-CD1 3.97Å; K262-I298 WeakPolarHBondContact O-CD1 3.3Å
263	A	92.8	Very high	92.5	Very high	65 Å²	65	61.3 Å²	61.3	54%	0.537	30%	0.301	S	S	.	.	H	α-helix	trans	-64.3	-28.7	178.9	0	0	0	0	0	113.6	D259 E260	D259-A263 WeakPolarHBondContact O-CB 2.89Å; D259-A263 PolarHBondContact O-N 3.25Å; E260-A263 PolarHBondContact O-N 3.42Å
264	R	94.8	Very high	92.9	Very high	86 Å²	86	60.2 Å²	60.2	33%	0.325	30%	0.295	S	S	.	.	H	α-helix	trans	-74.1	-50.7	173.7	-173	167.7	-172.1	124.5	3.5	111.5	M253 E260 V261 K262 Q266 K267 I276 D325	M253-R264 PolarHBondContact SD-NH1 2.81Å; E260-R264 VanDerWaalsContact O-CB 3.29Å; E260-R264 WeakPolarHBondContact O-CB 3.37Å; E260-R264 PolarHBondContact O-N 2.87Å; V261-R264 PolarHBondContact O-N 3.46Å; K262-R264 VanDerWaalsContact C-N 3.28Å; K262-R264 PolarHBondContact O-N 3.27Å; R264-Q266 VanDerWaalsContact C-N 3.26Å; R264-Q266 PolarHBondContact O-N 3.1Å; R264-K267 WeakPolarHBondContact O-CB 3.32Å; R264-K267 PolarHBondContact O-N 3Å; R264-I276 HydrophobicContact CB-CD1 4.03Å; R264-I276 HydrophobicContact CG-CD1 4.08Å; R264-D325 IonicContact CZ-OD1 2.63Å; R264-D325 IonicContact CZ-OD2 3.72Å; R264-D325 IonicContact NE-OD1 3.84Å; R264-D325 PolarHBondContact NE-OD1 3.32Å; R264-D325 IonicContact NH2-OD1 2.78Å; R264-D325 PolarHBondContact NH2-OD1 2.81Å; R264-D325 IonicContact NH2-OD2 2.87Å; R264-D325 PolarHBondContact NH2-OD2 3.27Å
265	L	96.8	Very high	93.5	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-68.2	-22.6	-179.4	-68.9	172.1	0	0	0	113.3	V261 K262 K267 F268 I269 I276 G290 V292 I298	V261-L265 HydrophobicContact CG1-CD1 3.85Å; V261-L265 WeakPolarHBondContact O-CB 3.28Å; V261-L265 WeakPolarHBondContact O-CG 3.33Å; V261-L265 PolarHBondContact O-N 3.06Å; K262-L265 PolarHBondContact O-N 2.86Å; L265-K267 PolarHBondContact O-N 3.36Å; L265-F268 CarbonylContact O-C 3.53Å; L265-F268 WeakPolarHBondContact O-CA 3.49Å; L265-F268 PolarHBondContact O-N 3.47Å; L265-I269 PolarHBondContact O-N 3.32Å; L265-I276 HydrophobicContact CD1-CD1 4.45Å; L265-I276 HydrophobicContact CD1-CG1 4.11Å; L265-I276 HydrophobicContact CD2-CD1 4.32Å; L265-I276 HydrophobicContact CD2-CG1 4.08Å; L265-I276 HydrophobicContact CG-CD1 4.02Å; L265-I276 HydrophobicContact CG-CG1 4.05Å; L265-G290 WeakPolarHBondContact CD1-O 3.43Å; L265-V292 HydrophobicContact CB-CG2 4.24Å; L265-V292 HydrophobicContact CD2-CG2 4.49Å; L265-I298 HydrophobicContact CB-CD1 3.93Å; L265-I298 HydrophobicContact CB-CG1 4.15Å; L265-I298 HydrophobicContact CB-CG2 4.12Å; L265-I298 HydrophobicContact CD1-CG2 3.81Å
266	Q	96.7	Very high	94.3	Very high	96 Å²	96	54.6 Å²	54.6	45%	0.449	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-55.8	-24.8	174.3	-165.1	62.2	69.8	0	0	113.6	K262 R264 F268 I298	K262-Q266 WeakPolarHBondContact O-CB 3.2Å; K262-Q266 PolarHBondContact O-N 3.03Å; R264-Q266 VanDerWaalsContact C-N 3.26Å; R264-Q266 PolarHBondContact O-N 3.1Å; Q266-F268 VanDerWaalsContact C-N 3.28Å; Q266-F268 PolarHBondContact O-N 2.95Å; Q266-I298 HydrophobicContact CB-CD1 4.25Å
267	K	95.8	Very high	94.9	Very high	163 Å²	163	53.1 Å²	53.1	71%	0.709	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-73	-20	175.2	-58.2	175.1	-173.8	177.7	0	113.3	R264 L265	R264-K267 WeakPolarHBondContact O-CB 3.32Å; R264-K267 PolarHBondContact O-N 3Å; L265-K267 PolarHBondContact O-N 3.36Å
268	F	96.3	Very high	95.1	Very high	53 Å²	53	53 Å²	53	23%	0.232	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-114.1	17.9	-177.2	-51.5	-56.3	0	0	0	112	L265 Q266 H270 K271 D325	L265-F268 CarbonylContact O-C 3.53Å; L265-F268 WeakPolarHBondContact O-CA 3.49Å; L265-F268 PolarHBondContact O-N 3.47Å; Q266-F268 VanDerWaalsContact C-N 3.28Å; Q266-F268 PolarHBondContact O-N 2.95Å; F268-H270 PolarHBondContact O-N 2.96Å; F268-H270 VanDerWaalsContact O-N 3.12Å; F268-K271 CarbonylContact O-C 3.59Å; F268-K271 WeakPolarHBondContact O-CA 3.49Å; F268-K271 PolarHBondContact O-N 3.35Å; F268-D325 WeakPolarHBondContact CE2-O 3.15Å; F268-D325 VanDerWaalsContact CZ-O 3.27Å; F268-D325 WeakPolarHBondContact CZ-O 3.27Å
269	I	96.8	Very high	95.2	Very high	30 Å²	30	49.2 Å²	49.2	15%	0.154	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-28.5	-176.2	-154.6	73.1	0	0	0	113.3	L265 K271 G296 I298	L265-I269 PolarHBondContact O-N 3.32Å; I269-K271 VanDerWaalsContact C-N 3.31Å; I269-G296 WeakPolarHBondContact CD1-O 3.35Å; I269-G296 VanDerWaalsContact CG1-O 3.26Å; I269-G296 WeakPolarHBondContact CG1-O 3.25Å; I269-I298 HydrophobicContact CD1-CD1 3.78Å; I269-I298 HydrophobicContact CD1-CG1 3.56Å
270	H	96.3	Very high	95.3	Very high	182 Å²	182	47 Å²	47	84%	0.843	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	10.6	176	-53.5	-58.2	0	0	0	113.5	F268	F268-H270 PolarHBondContact O-N 2.96Å; F268-H270 VanDerWaalsContact O-N 3.12Å
271	K	96.6	Very high	94.9	Very high	55 Å²	55	45.3 Å²	45.3	24%	0.239	22%	0.221	C	C	.	.	S	Bend	trans	-131.2	80.6	178.5	-167.4	-174.4	-177.1	-161.5	0	109.8	F268 I269 S274 F323 G326 R327	F268-K271 CarbonylContact O-C 3.59Å; F268-K271 WeakPolarHBondContact O-CA 3.49Å; F268-K271 PolarHBondContact O-N 3.35Å; I269-K271 VanDerWaalsContact C-N 3.31Å; K271-S274 VanDerWaalsContact O-CB 3.24Å; K271-S274 WeakPolarHBondContact O-CB 3.39Å; K271-S274 PolarHBondContact O-N 3.2Å; K271-S274 PolarHBondContact O-OG 3.09Å; K271-F323 HydrophobicContact CD-CB 4.49Å; K271-F323 HydrophobicContact CD-CD2 4Å; K271-F323 HydrophobicContact CD-CE2 4.44Å; K271-F323 HydrophobicContact CD-CG 4.22Å; K271-F323 HydrophobicContact CG-CD2 3.88Å; K271-F323 HydrophobicContact CG-CE2 4.1Å; K271-F323 VanDerWaalsContact NZ-CD1 3.32Å; K271-F323 VanDerWaalsContact NZ-CG 3.3Å; K271-G326 PolarHBondContact NZ-O 2.85Å; K271-R327 PolarHBondContact NZ-O 2.87Å
272	P	97	Very high	94.5	Very high	55 Å²	55	49.8 Å²	49.8	36%	0.357	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	150.3	171.9	-29.9	37.5	0	0	0	113.1	S274 T293 F323	P272-S274 PolarHBondContact O-N 2.85Å; P272-T293 WeakPolarHBondContact CB-O 3.18Å; P272-F323 VanDerWaalsContact O-CD2 3.23Å; P272-F323 WeakPolarHBondContact O-CD2 3.47Å; P272-F323 VanDerWaalsContact O-CE2 3.26Å; P272-F323 WeakPolarHBondContact O-CE2 3.4Å
273	G	95.7	Very high	94.2	Very high	2 Å²	2	50.7 Å²	50.7	2%	0.021	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	-0.7	-172.9	0	0	0	0	0	114.4	V292 F320 L322 F323	G273-V292 PolarHBondContact N-O 3.27Å; G273-F320 WeakPolarHBondContact CA-O 3.47Å; G273-L322 PolarHBondContact O-N 3.3Å; G273-F323 PolarHBondContact O-N 2.89Å
274	S	98.1	Very high	94	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	123.9	174.5	-60.4	0	0	0	0	111.5	K271 P272 Y291 V292 F323	K271-S274 VanDerWaalsContact O-CB 3.24Å; K271-S274 WeakPolarHBondContact O-CB 3.39Å; K271-S274 PolarHBondContact O-N 3.2Å; K271-S274 PolarHBondContact O-OG 3.09Å; P272-S274 PolarHBondContact O-N 2.85Å; S274-Y291 CarbonylContact O-C 3.58Å; S274-Y291 VanDerWaalsContact O-CA 3.29Å; S274-Y291 WeakPolarHBondContact O-CA 3.46Å; S274-V292 PolarHBondContact O-N 2.87Å; S274-F323 WeakPolarHBondContact CA-O 3.47Å
275	Y	98.3	Very high	93.6	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	158	-171	80.9	-80.6	0	0	0	113.7	H249 F277 I289 G290 L312 Y321 F323 P324 D325 N330	H249-Y275 AromaticContact CE1-CZ 3.97Å; H249-Y275 PolarHBondContact CE1-OH 2.81Å; H249-Y275 VanDerWaalsContact CE1-OH 3.22Å; H249-Y275 PolarHBondContact NE2-OH 2.98Å; Y275-F277 HydrophobicContact CD2-CD1 4.45Å; Y275-F277 HydrophobicContact CE2-CD1 4.03Å; Y275-F277 HydrophobicContact CE2-CE1 4.31Å; Y275-I289 HydrophobicContact CD2-CG2 4.23Å; Y275-G290 CarbonylContact C-O 3.39Å; Y275-G290 WeakPolarHBondContact CA-O 3.24Å; Y275-G290 WeakPolarHBondContact CB-O 3.18Å; Y275-L312 HydrophobicContact CD2-CD2 4.24Å; Y275-L312 HydrophobicContact CE2-CD2 3.58Å; Y275-Y321 VanDerWaalsContact CD1-C 3.41Å; Y275-Y321 VanDerWaalsContact CD1-CA 3.45Å; Y275-Y321 HydrophobicContact CD2-CD1 4.37Å; Y275-Y321 HydrophobicContact CD2-CG 4.37Å; Y275-Y321 WeakPolarHBondContact CE1-O 3.48Å; Y275-Y321 HydrophobicContact CG-CD1 4.13Å; Y275-Y321 HydrophobicContact CG-CG 4.31Å; Y275-F323 PolarHBondContact N-O 3.35Å; Y275-P324 HydrophobicContact CD1-CB 4.48Å; Y275-P324 HydrophobicContact CE1-CB 3.77Å; Y275-P324 HydrophobicContact CE1-CG 4.31Å; Y275-P324 HydrophobicContact CE2-CB 4.47Å; Y275-P324 CarbonylContact O-C 3.55Å; Y275-P324 WeakPolarHBondContact O-CA 3.4Å; Y275-D325 PolarHBondContact O-N 3.43Å; Y275-N330 PolarHBondContact OH-OD1 3.17Å
276	I	98.2	Very high	93.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	154.8	169.2	56.9	-175.9	0	0	0	109.3	G251 M253 V261 R264 L265 G290 D325	G251-I276 CarbonylContact O-C 3.59Å; G251-I276 VanDerWaalsContact O-CA 3.23Å; G251-I276 WeakPolarHBondContact O-CA 3.4Å; G251-I276 WeakPolarHBondContact O-CB 3.29Å; M253-I276 HydrophobicContact CE-CG2 4.19Å; M253-I276 HydrophobicContact CG-CB 4.01Å; M253-I276 HydrophobicContact CG-CD1 4.32Å; M253-I276 HydrophobicContact CG-CG2 4.08Å; V261-I276 HydrophobicContact CB-CD1 4.26Å; V261-I276 HydrophobicContact CG1-CD1 4.03Å; V261-I276 HydrophobicContact CG1-CG1 4.08Å; V261-I276 HydrophobicContact CG2-CD1 4.02Å; V261-I276 HydrophobicContact CG2-CG1 4.41Å; R264-I276 HydrophobicContact CB-CD1 4.03Å; R264-I276 HydrophobicContact CG-CD1 4.08Å; L265-I276 HydrophobicContact CD1-CD1 4.45Å; L265-I276 HydrophobicContact CD1-CG1 4.11Å; L265-I276 HydrophobicContact CD2-CD1 4.32Å; L265-I276 HydrophobicContact CD2-CG1 4.08Å; L265-I276 HydrophobicContact CG-CD1 4.02Å; L265-I276 HydrophobicContact CG-CG1 4.05Å; I276-G290 PolarHBondContact N-O 3Å; I276-G290 PolarHBondContact O-N 2.88Å; I276-G290 VanDerWaalsContact O-O 3.12Å; I276-D325 HydrophobicContact CG2-CB 4.1Å
277	F	97.3	Very high	93.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	157.8	175.7	62.1	-103.2	0	0	0	113.3	L245 H249 G251 Y252 M253 Y275 W287 A288 I289 L308 L312	L245-F277 WeakPolarHBondContact O-CE2 3.45Å; L245-F277 WeakPolarHBondContact O-CZ 3.29Å; H249-F277 HydrophobicContact CB-CZ 4.02Å; H249-F277 AromaticContact CE1-CE1 3.42Å; H249-F277 VanDerWaalsContact CE1-CE1 3.42Å; H249-F277 WeakPolarHBondContact CE1-CE1 3.17Å; H249-F277 AromaticContact CG-CE1 3.85Å; H249-F277 AromaticContact CG-CZ 3.66Å; H249-F277 AromaticContact ND1-CE1 3.15Å; H249-F277 WeakPolarHBondContact ND1-CE1 3.4Å; H249-F277 AromaticContact ND1-CZ 3.35Å; H249-F277 WeakPolarHBondContact ND1-CZ 3.33Å; G251-F277 PolarHBondContact O-N 3.07Å; Y252-F277 AromaticContact CD2-CD2 3.88Å; Y252-F277 HydrophobicContact CD2-CD2 3.88Å; Y252-F277 AromaticContact CD2-CE2 3.68Å; Y252-F277 HydrophobicContact CD2-CE2 3.68Å; Y252-F277 HydrophobicContact CG-CE2 4.05Å; M253-F277 PolarHBondContact N-O 3.46Å; Y275-F277 HydrophobicContact CD2-CD1 4.45Å; Y275-F277 HydrophobicContact CE2-CD1 4.03Å; Y275-F277 HydrophobicContact CE2-CE1 4.31Å; F277-W287 AromaticContact CD2-CE3 3.88Å; F277-W287 HydrophobicContact CD2-CE3 3.88Å; F277-W287 AromaticContact CD2-CZ3 3.75Å; F277-W287 HydrophobicContact CD2-CZ3 3.75Å; F277-W287 HydrophobicContact CE2-CE3 4.48Å; F277-W287 HydrophobicContact CE2-CH2 4.48Å; F277-W287 HydrophobicContact CE2-CZ3 4.01Å; F277-A288 VanDerWaalsContact CA-O 3.29Å; F277-A288 WeakPolarHBondContact CA-O 3.34Å; F277-I289 HydrophobicContact CB-CB 4.37Å; F277-I289 HydrophobicContact CB-CG1 4Å; F277-I289 HydrophobicContact CB-CG2 4.41Å; F277-L308 HydrophobicContact CD2-CD2 3.65Å; F277-L308 HydrophobicContact CE1-CD2 4.35Å; F277-L308 HydrophobicContact CE2-CD2 3.48Å; F277-L308 VanDerWaalsContact CE2-CD2 3.48Å; F277-L308 HydrophobicContact CG-CD2 4.2Å; F277-L308 HydrophobicContact CZ-CD2 3.85Å; F277-L312 HydrophobicContact CD1-CD1 4Å; F277-L312 HydrophobicContact CD1-CD2 3.95Å; F277-L312 HydrophobicContact CE1-CD1 3.42Å; F277-L312 VanDerWaalsContact CE1-CD1 3.42Å; F277-L312 HydrophobicContact CE1-CD2 4.15Å; F277-L312 HydrophobicContact CE1-CG 4.42Å; F277-L312 HydrophobicContact CZ-CD1 4Å
278	R	93.9	Very high	93.4	Very high	11 Å²	11	36.6 Å²	36.6	4%	0.042	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	168.1	-174	58.7	171.5	-177.6	109.2	10.8	110.9	M253 L256 V261 A288	M253-R278 WeakPolarHBondContact O-CB 3.47Å; L256-R278 WeakPolarHBondContact O-CD 3.45Å; L256-R278 PolarHBondContact O-NH1 2.84Å; V261-R278 HydrophobicContact CG2-CG 4.31Å; R278-A288 HydrophobicContact CG-CB 4.24Å; R278-A288 PolarHBondContact N-O 3.28Å; R278-A288 PolarHBondContact O-N 3.16Å
279	L	91.5	Very high	93.4	Very high	32 Å²	32	34.1 Å²	34.1	17%	0.168	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	141.2	166.1	-75.9	66.4	0	0	0	109.7	L214 L231 Y252 W287	L214-L279 HydrophobicContact CD2-CD2 4.22Å; L231-L279 HydrophobicContact CD1-CD1 4.38Å; L231-L279 HydrophobicContact CD1-CD2 3.64Å; L231-L279 HydrophobicContact CD1-CG 3.7Å; L231-L279 HydrophobicContact CD2-CG 4.23Å; Y252-L279 HydrophobicContact CE2-CD1 4Å; L279-W287 HydrophobicContact CD1-CE3 4.44Å; L279-W287 HydrophobicContact CD1-CH2 4.12Å; L279-W287 HydrophobicContact CD1-CZ3 3.82Å
280	S	90.3	Very high	93.5	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.021	16%	0.164	C	C	.	.			trans	-79.4	123.9	173.3	-179.1	0	0	0	0	111	T282 R283 Q286	S280-T282 VanDerWaalsContact C-N 3.34Å; S280-R283 WeakPolarHBondContact CB-O 3.49Å; S280-R283 CarbonylContact O-C 3.51Å; S280-R283 PolarHBondContact OG-N 3.12Å; S280-Q286 WeakPolarHBondContact CB-O 3.23Å; S280-Q286 PolarHBondContact N-O 2.89Å
281	C	83	Confident	93.5	Very high	14 Å²	14	25.2 Å²	25.2	10%	0.095	13%	0.129	C	C	.	.	S	Bend	trans	-72.3	-23.7	177.2	48.6	0	0	0	0	113.7	P65 L140	P65-C281 PolarHBondContact O-SG 3.25Å; P65-C281 VanDerWaalsContact O-SG 3.38Å; L140-C281 HydrophobicContact CD2-CB 3.95Å
282	T	84.8	Confident	93.6	Very high	95 Å²	95	22.7 Å²	22.7	58%	0.583	12%	0.117	S	C	*	.	S	Bend	trans	-102.4	-12	-179.5	54.5	0	0	0	0	113.7	P65 S280	P65-T282 HydrophobicContact CB-CG2 3.63Å; P65-T282 HydrophobicContact CG-CG2 3.8Å; S280-T282 VanDerWaalsContact C-N 3.34Å
283	R	87.4	Confident	93.6	Very high	122 Å²	122	20.9 Å²	20.9	46%	0.46	11%	0.105	S	C	.	.	S	Bend	trans	-136.4	80.2	175.2	-62.1	-168.2	-176.5	-178.1	1.2	109.5	S280 Q286 I302 H304	S280-R283 WeakPolarHBondContact CB-O 3.49Å; S280-R283 CarbonylContact O-C 3.51Å; S280-R283 PolarHBondContact OG-N 3.12Å; R283-Q286 HydrophobicContact CB-CB 4.17Å; R283-Q286 HydrophobicContact CB-CG 4.25Å; R283-Q286 WeakPolarHBondContact O-CB 3.44Å; R283-Q286 PolarHBondContact O-N 2.88Å; R283-Q286 VanDerWaalsContact O-N 3.13Å; R283-I302 HydrophobicContact CG-CD1 4.43Å; R283-H304 PolarHBondContact NH1-CE1 3.1Å; R283-H304 PolarHBondContact NH1-NE2 2.94Å
284	L	88.7	Confident	93.6	Very high	29 Å²	29	24.9 Å²	24.9	15%	0.152	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	145.3	-179.4	-61.1	178.7	0	0	0	111.3	H144 A147 F223 I227 R230 Q286	H144-L284 VanDerWaalsContact ND1-CD2 3.33Å; H144-L284 WeakPolarHBondContact ND1-CD2 3.42Å; A147-L284 HydrophobicContact CB-CD1 3.37Å; F223-L284 HydrophobicContact CE1-CD1 4.23Å; F223-L284 HydrophobicContact CZ-CD1 3.87Å; I227-L284 HydrophobicContact CD1-CB 3.77Å; I227-L284 HydrophobicContact CD1-CD1 4.06Å; I227-L284 HydrophobicContact CD1-CG 4.46Å; I227-L284 HydrophobicContact CG1-CB 4.12Å; R230-L284 PolarHBondContact NH2-O 2.97Å; L284-Q286 VanDerWaalsContact C-N 3.26Å
285	G	87.3	Confident	93.4	Very high	9 Å²	9	31.4 Å²	31.4	9%	0.093	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	25.2	-169	0	0	0	0	0	113.6	R230	R230-G285 PolarHBondContact NH2-O 2.83Å; R230-G285 VanDerWaalsContact NH2-O 3.14Å
286	Q	92.1	Very high	93.2	Very high	60 Å²	60	32.4 Å²	32.4	28%	0.28	18%	0.184	S	C	.	.			trans	-137	151.2	168.6	-55.4	-175.3	-1.9	0	0	110.4	S280 R283 L284 I302	S280-Q286 WeakPolarHBondContact CB-O 3.23Å; S280-Q286 PolarHBondContact N-O 2.89Å; R283-Q286 HydrophobicContact CB-CB 4.17Å; R283-Q286 HydrophobicContact CB-CG 4.25Å; R283-Q286 WeakPolarHBondContact O-CB 3.44Å; R283-Q286 PolarHBondContact O-N 2.88Å; R283-Q286 VanDerWaalsContact O-N 3.13Å; L284-Q286 VanDerWaalsContact C-N 3.26Å; Q286-I302 HydrophobicContact CB-CG2 4Å
287	W	95.2	Very high	93.1	Very high	12 Å²	12	37 Å²	37	5%	0.045	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	151.4	179	-67.1	99.2	0	0	0	112	L231 F232 Y252 F277 L279 I302 P303 L308	L231-W287 HydrophobicContact CB-CZ2 3.86Å; L231-W287 HydrophobicContact CD2-CD2 3.81Å; L231-W287 HydrophobicContact CD2-CG 4.03Å; L231-W287 HydrophobicContact CD2-CZ2 4.03Å; L231-W287 HydrophobicContact CG-CZ2 4.47Å; L231-W287 PolarHBondContact O-NE1 3.14Å; F232-W287 HydrophobicContact CD1-CZ2 4.01Å; F232-W287 AromaticContact CE1-CH2 3.62Å; F232-W287 HydrophobicContact CE1-CH2 3.62Å; F232-W287 AromaticContact CE1-CZ2 3.46Å; F232-W287 HydrophobicContact CE1-CZ2 3.46Å; F232-W287 VanDerWaalsContact CE1-CZ2 3.46Å; F232-W287 AromaticContact CZ-CH2 3.72Å; F232-W287 HydrophobicContact CZ-CH2 3.72Å; F232-W287 AromaticContact CZ-CZ2 3.75Å; F232-W287 HydrophobicContact CZ-CZ2 3.75Å; Y252-W287 HydrophobicContact CD2-CH2 4.44Å; Y252-W287 AromaticContact CD2-CZ3 3.95Å; Y252-W287 HydrophobicContact CD2-CZ3 3.95Å; Y252-W287 HydrophobicContact CE2-CH2 4.2Å; Y252-W287 AromaticContact CE2-CZ3 3.81Å; Y252-W287 HydrophobicContact CE2-CZ3 3.81Å; F277-W287 AromaticContact CD2-CE3 3.88Å; F277-W287 HydrophobicContact CD2-CE3 3.88Å; F277-W287 AromaticContact CD2-CZ3 3.75Å; F277-W287 HydrophobicContact CD2-CZ3 3.75Å; F277-W287 HydrophobicContact CE2-CE3 4.48Å; F277-W287 HydrophobicContact CE2-CH2 4.48Å; F277-W287 HydrophobicContact CE2-CZ3 4.01Å; L279-W287 HydrophobicContact CD1-CE3 4.44Å; L279-W287 HydrophobicContact CD1-CH2 4.12Å; L279-W287 HydrophobicContact CD1-CZ3 3.82Å; W287-I302 WeakPolarHBondContact O-CA 3.48Å; W287-I302 WeakPolarHBondContact O-CG2 3.5Å; W287-P303 WeakPolarHBondContact O-CD 3.46Å; W287-L308 HydrophobicContact CB-CD1 4.15Å; W287-L308 HydrophobicContact CD2-CB 4.41Å; W287-L308 HydrophobicContact CD2-CD1 4.44Å; W287-L308 HydrophobicContact CD2-CD2 3.6Å; W287-L308 HydrophobicContact CD2-CG 4.36Å; W287-L308 HydrophobicContact CE3-CD2 3.82Å; W287-L308 HydrophobicContact CG-CB 4.17Å; W287-L308 HydrophobicContact CG-CD1 4.08Å; W287-L308 HydrophobicContact CG-CD2 4.06Å; W287-L308 HydrophobicContact CG-CG 4.32Å; W287-L308 HydrophobicContact CH2-CD2 4.11Å; W287-L308 HydrophobicContact CZ2-CD2 3.9Å; W287-L308 HydrophobicContact CZ3-CD2 4.07Å
288	A	96	Very high	93.1	Very high	4 Å²	4	38.1 Å²	38.1	3%	0.033	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	121.7	167.4	0	0	0	0	0	109.6	F277 R278 T301 I302	F277-A288 VanDerWaalsContact CA-O 3.29Å; F277-A288 WeakPolarHBondContact CA-O 3.34Å; R278-A288 HydrophobicContact CG-CB 4.24Å; R278-A288 PolarHBondContact N-O 3.28Å; R278-A288 PolarHBondContact O-N 3.16Å; A288-T301 CarbonylContact C-O 3.43Å; A288-T301 WeakPolarHBondContact CA-O 3.32Å; A288-I302 HydrophobicContact CB-CG1 4.34Å
289	I	97.4	Very high	93.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.6	178.1	-49.6	176.7	0	0	0	107.9	Y275 F277 Q300 T301 P303 L308 L312 Y321	Y275-I289 HydrophobicContact CD2-CG2 4.23Å; F277-I289 HydrophobicContact CB-CB 4.37Å; F277-I289 HydrophobicContact CB-CG1 4Å; F277-I289 HydrophobicContact CB-CG2 4.41Å; I289-Q300 CarbonylContact O-C 3.48Å; I289-Q300 VanDerWaalsContact O-CA 3.27Å; I289-Q300 WeakPolarHBondContact O-CA 3.46Å; I289-T301 PolarHBondContact N-O 3.33Å; I289-T301 PolarHBondContact O-N 3.06Å; I289-T301 PolarHBondContact O-OG1 3.49Å; I289-P303 HydrophobicContact CD1-CG 3.68Å; I289-P303 HydrophobicContact CG1-CG 4.16Å; I289-L308 HydrophobicContact CD1-CD1 3.94Å; I289-L308 HydrophobicContact CG1-CD1 4.23Å; I289-L312 HydrophobicContact CD1-CD2 4.1Å; I289-Y321 HydrophobicContact CD1-CE2 3.9Å; I289-Y321 HydrophobicContact CG2-CD1 4.03Å; I289-Y321 HydrophobicContact CG2-CE1 3.6Å; I289-Y321 HydrophobicContact CG2-CE2 4.44Å
290	G	97.6	Very high	93.4	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	135.7	169.8	0	0	0	0	0	110.7	L265 Y275 I276 L299	L265-G290 WeakPolarHBondContact CD1-O 3.43Å; Y275-G290 CarbonylContact C-O 3.39Å; Y275-G290 WeakPolarHBondContact CA-O 3.24Å; Y275-G290 WeakPolarHBondContact CB-O 3.18Å; I276-G290 PolarHBondContact N-O 3Å; I276-G290 PolarHBondContact O-N 2.88Å; I276-G290 VanDerWaalsContact O-O 3.12Å; G290-L299 CarbonylContact C-O 3.58Å; G290-L299 VanDerWaalsContact CA-O 3.28Å; G290-L299 WeakPolarHBondContact CA-O 3.44Å
291	Y	98.1	Very high	93.6	Very high	25 Å²	25	44 Å²	44	10%	0.098	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	158.6	-178.8	68.8	-78.1	0	0	0	113.3	S274 T293 I298 L299 T301 F320 Y321	S274-Y291 CarbonylContact O-C 3.58Å; S274-Y291 VanDerWaalsContact O-CA 3.29Å; S274-Y291 WeakPolarHBondContact O-CA 3.46Å; Y291-T293 HydrophobicContact CD2-CG2 4.36Å; Y291-T293 HydrophobicContact CE2-CG2 3.78Å; Y291-I298 WeakPolarHBondContact O-CA 3.48Å; Y291-L299 HydrophobicContact CD1-CB 4.45Å; Y291-L299 HydrophobicContact CE1-CB 3.91Å; Y291-L299 PolarHBondContact N-O 2.85Å; Y291-L299 PolarHBondContact O-N 3.49Å; Y291-T301 HydrophobicContact CE1-CG2 3.95Å; Y291-F320 HydrophobicContact CD2-CB 4.3Å; Y291-F320 HydrophobicContact CE2-CB 4.32Å; Y291-F320 AromaticContact CE2-CD1 3.94Å; Y291-F320 HydrophobicContact CE2-CD1 3.94Å; Y291-F320 HydrophobicContact CE2-CG 4.38Å; Y291-Y321 AromaticContact CD1-CE1 3.71Å; Y291-Y321 HydrophobicContact CD1-CE1 3.71Å; Y291-Y321 HydrophobicContact CD2-CE1 4.44Å; Y291-Y321 HydrophobicContact CE1-CE1 4.28Å; Y291-Y321 HydrophobicContact CG-CD1 4.28Å; Y291-Y321 AromaticContact CG-CE1 3.8Å; Y291-Y321 HydrophobicContact CG-CE1 3.8Å
292	V	98.3	Very high	94.2	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	119	174.6	-176.5	0	0	0	0	109.2	L265 G273 S274 I298	L265-V292 HydrophobicContact CB-CG2 4.24Å; L265-V292 HydrophobicContact CD2-CG2 4.49Å; G273-V292 PolarHBondContact N-O 3.27Å; S274-V292 PolarHBondContact O-N 2.87Å; V292-I298 HydrophobicContact CG2-CG1 4.36Å
293	T	97.3	Very high	94.4	Very high	17 Å²	17	42.5 Å²	42.5	10%	0.104	24%	0.235	C	C	.	.			trans	-72.8	168	176.3	55.2	0	0	0	0	112.8	P272 Y291 D295 G296 N297 L299	P272-T293 WeakPolarHBondContact CB-O 3.18Å; Y291-T293 HydrophobicContact CD2-CG2 4.36Å; Y291-T293 HydrophobicContact CE2-CG2 3.78Å; T293-D295 PolarHBondContact O-N 2.9Å; T293-G296 PolarHBondContact O-N 3.04Å; T293-G296 VanDerWaalsContact O-N 3.09Å; T293-N297 PolarHBondContact N-O 2.91Å; T293-N297 WeakPolarHBondContact OG1-CA 3.17Å; T293-N297 WeakPolarHBondContact OG1-CB 3.49Å; T293-N297 PolarHBondContact OG1-N 3.06Å; T293-N297 PolarHBondContact OG1-O 3.37Å; T293-L299 HydrophobicContact CG2-CD1 3.61Å; T293-L299 HydrophobicContact CG2-CG 3.92Å
294	A	95.4	Very high	94.2	Very high	87 Å²	87	41.8 Å²	41.8	72%	0.719	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-38.7	173.1	0	0	0	0	0	112.8	G296	A294-G296 PolarHBondContact O-N 3.21Å
295	D	94.6	Very high	93.7	Very high	137 Å²	137	48.9 Å²	48.9	73%	0.733	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	0.3	-179.7	-46.3	-57.7	0	0	0	113.9	T293 N297	T293-D295 PolarHBondContact O-N 2.9Å; D295-N297 VanDerWaalsContact C-N 3.34Å
296	G	93.4	Very high	93.5	Very high	22 Å²	22	53.5 Å²	53.5	23%	0.227	29%	0.293	C	S	.	.	S	Bend	trans	74.9	18.3	-174.9	0	0	0	0	0	114.2	I269 T293 A294	I269-G296 WeakPolarHBondContact CD1-O 3.35Å; I269-G296 VanDerWaalsContact CG1-O 3.26Å; I269-G296 WeakPolarHBondContact CG1-O 3.25Å; T293-G296 PolarHBondContact O-N 3.04Å; T293-G296 VanDerWaalsContact O-N 3.09Å; A294-G296 PolarHBondContact O-N 3.21Å
297	N	96.6	Very high	93.4	Very high	96 Å²	96	52.1 Å²	52.1	51%	0.513	29%	0.289	S	S	.	.			trans	-88	142.1	170.6	-66.8	-65	0	0	0	111.2	T293 D295	T293-N297 PolarHBondContact N-O 2.91Å; T293-N297 WeakPolarHBondContact OG1-CA 3.17Å; T293-N297 WeakPolarHBondContact OG1-CB 3.49Å; T293-N297 PolarHBondContact OG1-N 3.06Å; T293-N297 PolarHBondContact OG1-O 3.37Å; D295-N297 VanDerWaalsContact C-N 3.34Å
298	I	97.4	Very high	93.4	Very high	24 Å²	24	51.6 Å²	51.6	12%	0.123	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	120.6	171.7	-57.6	164.8	0	0	0	109.3	K262 L265 Q266 I269 Y291 V292	K262-I298 HydrophobicContact CG-CD1 3.97Å; K262-I298 WeakPolarHBondContact O-CD1 3.3Å; L265-I298 HydrophobicContact CB-CD1 3.93Å; L265-I298 HydrophobicContact CB-CG1 4.15Å; L265-I298 HydrophobicContact CB-CG2 4.12Å; L265-I298 HydrophobicContact CD1-CG2 3.81Å; Q266-I298 HydrophobicContact CB-CD1 4.25Å; I269-I298 HydrophobicContact CD1-CD1 3.78Å; I269-I298 HydrophobicContact CD1-CG1 3.56Å; Y291-I298 WeakPolarHBondContact O-CA 3.48Å; V292-I298 HydrophobicContact CG2-CG1 4.36Å
299	L	96.3	Very high	93.2	Very high	80 Å²	80	52.1 Å²	52.1	42%	0.419	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	160.3	173.6	-60.7	-178.3	0	0	0	110.7	G290 Y291 T293	G290-L299 CarbonylContact C-O 3.58Å; G290-L299 VanDerWaalsContact CA-O 3.28Å; G290-L299 WeakPolarHBondContact CA-O 3.44Å; Y291-L299 HydrophobicContact CD1-CB 4.45Å; Y291-L299 HydrophobicContact CE1-CB 3.91Å; Y291-L299 PolarHBondContact N-O 2.85Å; Y291-L299 PolarHBondContact O-N 3.49Å; T293-L299 HydrophobicContact CG2-CD1 3.61Å; T293-L299 HydrophobicContact CG2-CG 3.92Å
300	Q	95.4	Very high	92.8	Very high	38 Å²	38	54.6 Å²	54.6	18%	0.178	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	124.6	170.4	-97.7	172.7	90.5	0	0	109.4	Y258 V261 I289	Y258-Q300 HydrophobicContact CD2-CB 4.25Å; Y258-Q300 VanDerWaalsContact CD2-CD 3.41Å; Y258-Q300 HydrophobicContact CD2-CG 4.42Å; Y258-Q300 HydrophobicContact CE2-CB 3.77Å; Y258-Q300 HydrophobicContact CE2-CG 4.28Å; Y258-Q300 PolarHBondContact O-NE2 3.21Å; V261-Q300 VanDerWaalsContact CG1-CD 3.49Å; V261-Q300 HydrophobicContact CG1-CG 3.89Å; I289-Q300 CarbonylContact O-C 3.48Å; I289-Q300 VanDerWaalsContact O-CA 3.27Å; I289-Q300 WeakPolarHBondContact O-CA 3.46Å
301	T	94.2	Very high	92.7	Very high	51 Å²	51	55 Å²	55	31%	0.313	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	157	-179.9	47.8	0	0	0	0	110.6	A288 I289 Y291 Y321	A288-T301 CarbonylContact C-O 3.43Å; A288-T301 WeakPolarHBondContact CA-O 3.32Å; I289-T301 PolarHBondContact N-O 3.33Å; I289-T301 PolarHBondContact O-N 3.06Å; I289-T301 PolarHBondContact O-OG1 3.49Å; Y291-T301 HydrophobicContact CE1-CG2 3.95Å; T301-Y321 PolarHBondContact OG1-OH 2.73Å
302	I	94.1	Very high	92.5	Very high	47 Å²	47	54 Å²	54	24%	0.241	30%	0.3	C	S	.	.			trans	-119.7	113.6	172.7	-65	-179.7	0	0	0	106.3	R283 Q286 W287 A288 H304	R283-I302 HydrophobicContact CG-CD1 4.43Å; Q286-I302 HydrophobicContact CB-CG2 4Å; W287-I302 WeakPolarHBondContact O-CA 3.48Å; W287-I302 WeakPolarHBondContact O-CG2 3.5Å; A288-I302 HydrophobicContact CB-CG1 4.34Å; I302-H304 PolarHBondContact O-CE1 3.2Å; I302-H304 PolarHBondContact O-ND1 3.19Å; I302-H304 VanDerWaalsContact O-ND1 3.12Å
303	P	90	Very high	92.2	Very high	30 Å²	30	54.8 Å²	54.8	20%	0.195	30%	0.304	C	S	.	.			trans	-57	140.2	174.8	-25.9	35.7	0	0	0	111.4	W287 I289 A311	W287-P303 WeakPolarHBondContact O-CD 3.46Å; I289-P303 HydrophobicContact CD1-CG 3.68Å; I289-P303 HydrophobicContact CG1-CG 4.16Å; P303-A311 HydrophobicContact CB-CB 3.93Å; P303-A311 HydrophobicContact CG-CB 3.9Å
304	H	82.4	Confident	91.9	Very high	108 Å²	108	54.4 Å²	54.4	50%	0.5	30%	0.301	S	S	.	.			trans	-120.7	135.7	178.1	-66.9	-7.3	0	0	0	109.1	R283 I302 K306	R283-H304 PolarHBondContact NH1-CE1 3.1Å; R283-H304 PolarHBondContact NH1-NE2 2.94Å; I302-H304 PolarHBondContact O-CE1 3.2Å; I302-H304 PolarHBondContact O-ND1 3.19Å; I302-H304 VanDerWaalsContact O-ND1 3.12Å; H304-K306 PolarHBondContact O-N 2.57Å
305	N	78.1	Confident	91.9	Very high	177 Å²	177	50.4 Å²	50.4	95%	0.947	27%	0.269	S	S	*	.	S	Bend	trans	52.8	22	175.8	-56.1	-4.3	0	0	0	116.2
306	K	84.4	Confident	91.8	Very high	107 Å²	107	48.8 Å²	48.8	47%	0.465	26%	0.255	S	S	.	.	S	Bend	trans	-131.6	146.8	173.9	-71.2	-173.9	172.9	-174.6	0	110.8	H304 D314	H304-K306 PolarHBondContact O-N 2.57Å; K306-D314 IonicContact NZ-OD2 3.4Å; K306-D314 PolarHBondContact NZ-OD2 2.76Å
307	P	89.6	Confident	91.8	Very high	30 Å²	30	55.4 Å²	55.4	20%	0.195	27%	0.273	C	S	.	.			trans	-66	157.2	167.5	30.2	-34.5	0	0	0	110.6	Q233 F309 Q310 A311	Q233-P307 HydrophobicContact CG-CB 3.97Å; P307-F309 HydrophobicContact CB-CD1 3.93Å; P307-F309 HydrophobicContact CB-CE1 3.55Å; P307-F309 HydrophobicContact CB-CZ 3.95Å; P307-F309 HydrophobicContact CG-CD1 4.34Å; P307-F309 HydrophobicContact CG-CE1 3.81Å; P307-F309 HydrophobicContact CG-CE2 4.07Å; P307-F309 HydrophobicContact CG-CZ 3.65Å; P307-F309 PolarHBondContact O-N 3.09Å; P307-Q310 HydrophobicContact CG-CB 3.8Å; P307-Q310 PolarHBondContact O-N 2.78Å; P307-A311 PolarHBondContact O-N 2.8Å; P307-A311 VanDerWaalsContact O-N 3.15Å
308	L	94.1	Very high	91.7	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-62.5	-43	-175.9	177.2	64.6	0	0	0	112.4	L245 F277 W287 I289 Q310 A311 L312	L245-L308 HydrophobicContact CB-CD2 4.46Å; L245-L308 HydrophobicContact CD1-CB 4.16Å; L245-L308 HydrophobicContact CD1-CD2 4.27Å; L245-L308 HydrophobicContact CD2-CD2 4.02Å; L245-L308 HydrophobicContact CD2-CG 4.23Å; L245-L308 HydrophobicContact CG-CD2 4.49Å; F277-L308 HydrophobicContact CD2-CD2 3.65Å; F277-L308 HydrophobicContact CE1-CD2 4.35Å; F277-L308 HydrophobicContact CE2-CD2 3.48Å; F277-L308 VanDerWaalsContact CE2-CD2 3.48Å; F277-L308 HydrophobicContact CG-CD2 4.2Å; F277-L308 HydrophobicContact CZ-CD2 3.85Å; W287-L308 HydrophobicContact CB-CD1 4.15Å; W287-L308 HydrophobicContact CD2-CB 4.41Å; W287-L308 HydrophobicContact CD2-CD1 4.44Å; W287-L308 HydrophobicContact CD2-CD2 3.6Å; W287-L308 HydrophobicContact CD2-CG 4.36Å; W287-L308 HydrophobicContact CE3-CD2 3.82Å; W287-L308 HydrophobicContact CG-CB 4.17Å; W287-L308 HydrophobicContact CG-CD1 4.08Å; W287-L308 HydrophobicContact CG-CD2 4.06Å; W287-L308 HydrophobicContact CG-CG 4.32Å; W287-L308 HydrophobicContact CH2-CD2 4.11Å; W287-L308 HydrophobicContact CZ2-CD2 3.9Å; W287-L308 HydrophobicContact CZ3-CD2 4.07Å; I289-L308 HydrophobicContact CD1-CD1 3.94Å; I289-L308 HydrophobicContact CG1-CD1 4.23Å; L308-Q310 VanDerWaalsContact C-N 3.3Å; L308-Q310 PolarHBondContact O-N 3.01Å; L308-A311 PolarHBondContact O-N 3.34Å; L308-A311 VanDerWaalsContact O-N 3.14Å; L308-L312 HydrophobicContact CD1-CD1 4.07Å; L308-L312 HydrophobicContact CD1-CD2 4.36Å; L308-L312 HydrophobicContact CD1-CG 3.92Å; L308-L312 HydrophobicContact CD2-CD1 4.2Å; L308-L312 HydrophobicContact CG-CD1 3.79Å; L308-L312 HydrophobicContact CG-CG 4.1Å; L308-L312 WeakPolarHBondContact O-CG 3.46Å; L308-L312 PolarHBondContact O-N 2.92Å
309	F	91.9	Very high	91.5	Very high	14 Å²	14	56.6 Å²	56.6	6%	0.061	28%	0.284	C	S	.	.	H	α-helix	trans	-59.1	-42.5	-178.8	62.4	-96.8	0	0	0	111.4	L245 P307 A311 L312 I313 L333 L336	L245-F309 HydrophobicContact CD2-CB 4.26Å; P307-F309 HydrophobicContact CB-CD1 3.93Å; P307-F309 HydrophobicContact CB-CE1 3.55Å; P307-F309 HydrophobicContact CB-CZ 3.95Å; P307-F309 HydrophobicContact CG-CD1 4.34Å; P307-F309 HydrophobicContact CG-CE1 3.81Å; P307-F309 HydrophobicContact CG-CE2 4.07Å; P307-F309 HydrophobicContact CG-CZ 3.65Å; P307-F309 PolarHBondContact O-N 3.09Å; F309-A311 PolarHBondContact O-N 3.08Å; F309-L312 PolarHBondContact O-N 2.9Å; F309-I313 HydrophobicContact CD2-CD1 4.23Å; F309-I313 WeakPolarHBondContact O-CD1 3.34Å; F309-I313 VanDerWaalsContact O-CG1 3.25Å; F309-I313 WeakPolarHBondContact O-CG1 3.23Å; F309-I313 PolarHBondContact O-N 2.83Å; F309-L333 HydrophobicContact CB-CB 4.42Å; F309-L333 HydrophobicContact CB-CD1 4.48Å; F309-L336 HydrophobicContact CB-CB 4.26Å; F309-L336 HydrophobicContact CB-CD1 3.79Å; F309-L336 HydrophobicContact CD1-CB 4.25Å; F309-L336 HydrophobicContact CD1-CD1 4.4Å; F309-L336 HydrophobicContact CD2-CB 4.07Å; F309-L336 HydrophobicContact CG-CB 3.95Å; F309-L336 HydrophobicContact CG-CD1 4.21Å
310	Q	90.8	Very high	91.4	Very high	52 Å²	52	57.1 Å²	57.1	24%	0.243	28%	0.283	C	S	.	.	H	α-helix	trans	-64.3	-42.1	176	-168.8	62.3	48.3	0	0	111.9	P307 L308 L312 I313 D314	P307-Q310 HydrophobicContact CG-CB 3.8Å; P307-Q310 PolarHBondContact O-N 2.78Å; L308-Q310 VanDerWaalsContact C-N 3.3Å; L308-Q310 PolarHBondContact O-N 3.01Å; Q310-L312 VanDerWaalsContact C-N 3.25Å; Q310-L312 PolarHBondContact O-N 2.78Å; Q310-I313 PolarHBondContact O-N 3.01Å; Q310-D314 PolarHBondContact NE2-OD1 2.95Å; Q310-D314 VanDerWaalsContact O-CB 3.32Å; Q310-D314 WeakPolarHBondContact O-CB 3.23Å; Q310-D314 PolarHBondContact O-N 3.09Å
311	A	94.2	Very high	91.5	Very high	11 Å²	11	56.3 Å²	56.3	9%	0.091	28%	0.279	C	S	.	.	H	α-helix	trans	-63.5	-31.3	175.7	0	0	0	0	0	112.8	P303 P307 L308 F309 G315 Y321	P303-A311 HydrophobicContact CB-CB 3.93Å; P303-A311 HydrophobicContact CG-CB 3.9Å; P307-A311 PolarHBondContact O-N 2.8Å; P307-A311 VanDerWaalsContact O-N 3.15Å; L308-A311 PolarHBondContact O-N 3.34Å; L308-A311 VanDerWaalsContact O-N 3.14Å; F309-A311 PolarHBondContact O-N 3.08Å; A311-G315 PolarHBondContact O-N 2.8Å; A311-G315 VanDerWaalsContact O-N 3.14Å; A311-Y321 WeakPolarHBondContact O-CE2 3.35Å
312	L	95	Very high	91.6	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-75.4	-40.6	174.5	-68.4	174.9	0	0	0	112.5	L245 Y275 F277 I289 L308 F309 Q310 F316 Y321 L333	L245-L312 HydrophobicContact CD2-CD1 4Å; Y275-L312 HydrophobicContact CD2-CD2 4.24Å; Y275-L312 HydrophobicContact CE2-CD2 3.58Å; F277-L312 HydrophobicContact CD1-CD1 4Å; F277-L312 HydrophobicContact CD1-CD2 3.95Å; F277-L312 HydrophobicContact CE1-CD1 3.42Å; F277-L312 VanDerWaalsContact CE1-CD1 3.42Å; F277-L312 HydrophobicContact CE1-CD2 4.15Å; F277-L312 HydrophobicContact CE1-CG 4.42Å; F277-L312 HydrophobicContact CZ-CD1 4Å; I289-L312 HydrophobicContact CD1-CD2 4.1Å; L308-L312 HydrophobicContact CD1-CD1 4.07Å; L308-L312 HydrophobicContact CD1-CD2 4.36Å; L308-L312 HydrophobicContact CD1-CG 3.92Å; L308-L312 HydrophobicContact CD2-CD1 4.2Å; L308-L312 HydrophobicContact CG-CD1 3.79Å; L308-L312 HydrophobicContact CG-CG 4.1Å; L308-L312 WeakPolarHBondContact O-CG 3.46Å; L308-L312 PolarHBondContact O-N 2.92Å; F309-L312 PolarHBondContact O-N 2.9Å; Q310-L312 VanDerWaalsContact C-N 3.25Å; Q310-L312 PolarHBondContact O-N 2.78Å; L312-F316 VanDerWaalsContact O-CB 3.23Å; L312-F316 WeakPolarHBondContact O-CB 3.45Å; L312-F316 PolarHBondContact O-N 3.39Å; L312-Y321 HydrophobicContact CD2-CD2 4.12Å; L312-L333 HydrophobicContact CB-CD1 3.85Å; L312-L333 HydrophobicContact CD1-CD1 3.64Å; L312-L333 HydrophobicContact CG-CD1 4.42Å
313	I	91.8	Very high	91.7	Very high	16 Å²	16	56.8 Å²	56.8	8%	0.082	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-49.5	174.2	-70.6	161.6	0	0	0	110.5	F309 Q310 F316 R317 L333 M334	F309-I313 HydrophobicContact CD2-CD1 4.23Å; F309-I313 WeakPolarHBondContact O-CD1 3.34Å; F309-I313 VanDerWaalsContact O-CG1 3.25Å; F309-I313 WeakPolarHBondContact O-CG1 3.23Å; F309-I313 PolarHBondContact O-N 2.83Å; Q310-I313 PolarHBondContact O-N 3.01Å; I313-F316 PolarHBondContact O-N 2.75Å; I313-R317 WeakPolarHBondContact O-CB 3.26Å; I313-R317 PolarHBondContact O-N 2.88Å; I313-L333 HydrophobicContact CD1-CB 4.18Å; I313-L333 HydrophobicContact CG1-CB 4.07Å; I313-M334 HydrophobicContact CB-SD 4.46Å; I313-M334 HydrophobicContact CD1-SD 3.91Å; I313-M334 HydrophobicContact CG1-SD 4.07Å; I313-M334 HydrophobicContact CG2-SD 3.54Å; I313-M334 VanDerWaalsContact CG2-SD 3.54Å
314	D	91.3	Very high	92.1	Very high	10 Å²	10	55.3 Å²	55.3	5%	0.053	27%	0.268	C	S	.	.	H	α-helix	trans	-58.9	-52.6	178.5	-69.3	-21	0	0	0	110.6	K306 Q310 F316 R317 E318	K306-D314 IonicContact NZ-OD2 3.4Å; K306-D314 PolarHBondContact NZ-OD2 2.76Å; Q310-D314 PolarHBondContact NE2-OD1 2.95Å; Q310-D314 VanDerWaalsContact O-CB 3.32Å; Q310-D314 WeakPolarHBondContact O-CB 3.23Å; Q310-D314 PolarHBondContact O-N 3.09Å; D314-F316 VanDerWaalsContact C-N 3.29Å; D314-F316 PolarHBondContact O-N 2.89Å; D314-R317 WeakPolarHBondContact O-CB 3.28Å; D314-R317 PolarHBondContact O-N 2.66Å; D314-R317 IonicContact OD1-CZ 2.66Å; D314-R317 IonicContact OD1-NH1 2.71Å; D314-R317 PolarHBondContact OD1-NH1 2.71Å; D314-R317 VanDerWaalsContact OD1-NH1 3.09Å; D314-R317 IonicContact OD1-NH2 3.34Å; D314-R317 PolarHBondContact OD1-NH2 3.14Å; D314-E318 WeakPolarHBondContact O-CB 3.23Å; D314-E318 VanDerWaalsContact O-CG 3.3Å; D314-E318 WeakPolarHBondContact O-CG 3.38Å; D314-E318 PolarHBondContact O-N 3.32Å
315	G	93.5	Very high	92.7	Very high	3 Å²	3	51 Å²	51	3%	0.031	25%	0.248	C	C	.	.	H	α-helix	trans	-71	-17.8	178.9	0	0	0	0	0	114.9	A311 G319 F320 Y321	A311-G315 PolarHBondContact O-N 2.8Å; A311-G315 VanDerWaalsContact O-N 3.14Å; G315-G319 PolarHBondContact O-N 2.84Å; G315-F320 WeakPolarHBondContact O-CA 3.42Å; G315-F320 PolarHBondContact O-N 3.14Å; G315-Y321 VanDerWaalsContact CA-CD2 3.45Å; G315-Y321 PolarHBondContact O-N 3.15Å
316	F	94.3	Very high	93.4	Very high	103 Å²	103	43.1 Å²	43.1	45%	0.452	21%	0.209	S	C	.	.	H	α-helix	trans	-73.1	-46.9	167.4	175.2	-107.1	0	0	0	110.7	L312 I313 D314 E318 G319 L322 N330	L312-F316 VanDerWaalsContact O-CB 3.23Å; L312-F316 WeakPolarHBondContact O-CB 3.45Å; L312-F316 PolarHBondContact O-N 3.39Å; I313-F316 PolarHBondContact O-N 2.75Å; D314-F316 VanDerWaalsContact C-N 3.29Å; D314-F316 PolarHBondContact O-N 2.89Å; F316-E318 VanDerWaalsContact C-N 3.27Å; F316-E318 PolarHBondContact O-N 3.18Å; F316-G319 PolarHBondContact O-N 3.48Å; F316-L322 HydrophobicContact CD2-CD2 3.72Å; F316-L322 HydrophobicContact CE2-CD2 3.77Å; F316-N330 HydrophobicContact CD2-CB 4.47Å; F316-N330 WeakPolarHBondContact CD2-ND2 3.49Å; F316-N330 HydrophobicContact CE2-CB 4.19Å
317	R	92.8	Very high	93.9	Very high	160 Å²	160	43.8 Å²	43.8	60%	0.604	21%	0.208	S	C	*	.	H	α-helix	trans	-60.4	-35.7	175.2	-175.5	179.8	64.7	-118	-10	112.3	I313 D314 G319	I313-R317 WeakPolarHBondContact O-CB 3.26Å; I313-R317 PolarHBondContact O-N 2.88Å; D314-R317 WeakPolarHBondContact O-CB 3.28Å; D314-R317 PolarHBondContact O-N 2.66Å; D314-R317 IonicContact OD1-CZ 2.66Å; D314-R317 IonicContact OD1-NH1 2.71Å; D314-R317 PolarHBondContact OD1-NH1 2.71Å; D314-R317 VanDerWaalsContact OD1-NH1 3.09Å; D314-R317 IonicContact OD1-NH2 3.34Å; D314-R317 PolarHBondContact OD1-NH2 3.14Å; R317-G319 VanDerWaalsContact C-N 3.33Å
318	E	93.5	Very high	94	Very high	112 Å²	112	48.3 Å²	48.3	52%	0.523	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-5.5	175.5	-67.1	161.2	-153.6	0	0	113.8	D314 F316 F320	D314-E318 WeakPolarHBondContact O-CB 3.23Å; D314-E318 VanDerWaalsContact O-CG 3.3Å; D314-E318 WeakPolarHBondContact O-CG 3.38Å; D314-E318 PolarHBondContact O-N 3.32Å; F316-E318 VanDerWaalsContact C-N 3.27Å; F316-E318 PolarHBondContact O-N 3.18Å; E318-F320 HydrophobicContact CB-CD2 3.63Å; E318-F320 HydrophobicContact CB-CE2 3.75Å
319	G	93.1	Very high	93.8	Very high	33 Å²	33	55.9 Å²	55.9	34%	0.34	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	3.9	176.9	0	0	0	0	0	116.4	G315 F316 R317 L322	G315-G319 PolarHBondContact O-N 2.84Å; F316-G319 PolarHBondContact O-N 3.48Å; R317-G319 VanDerWaalsContact C-N 3.33Å; G319-L322 WeakPolarHBondContact O-CD1 3.15Å; G319-L322 WeakPolarHBondContact O-CG 3.15Å
320	F	95.6	Very high	93.7	Very high	91 Å²	91	56.8 Å²	56.8	40%	0.399	28%	0.277	S	S	.	.	S	Bend	trans	-80.3	-32.4	178.3	-60.5	-59.7	0	0	0	114.1	G273 Y291 G315 E318	G273-F320 WeakPolarHBondContact CA-O 3.47Å; Y291-F320 HydrophobicContact CD2-CB 4.3Å; Y291-F320 HydrophobicContact CE2-CB 4.32Å; Y291-F320 AromaticContact CE2-CD1 3.94Å; Y291-F320 HydrophobicContact CE2-CD1 3.94Å; Y291-F320 HydrophobicContact CE2-CG 4.38Å; G315-F320 WeakPolarHBondContact O-CA 3.42Å; G315-F320 PolarHBondContact O-N 3.14Å; E318-F320 HydrophobicContact CB-CD2 3.63Å; E318-F320 HydrophobicContact CB-CE2 3.75Å
321	Y	96.8	Very high	93.5	Very high	22 Å²	22	56.6 Å²	56.6	9%	0.086	28%	0.279	C	S	.	.	S	Bend	trans	-120	59.8	-171.6	-52.9	-33.2	0	0	0	112	Y275 I289 Y291 T301 A311 L312 G315 N330	Y275-Y321 VanDerWaalsContact CD1-C 3.41Å; Y275-Y321 VanDerWaalsContact CD1-CA 3.45Å; Y275-Y321 HydrophobicContact CD2-CD1 4.37Å; Y275-Y321 HydrophobicContact CD2-CG 4.37Å; Y275-Y321 WeakPolarHBondContact CE1-O 3.48Å; Y275-Y321 HydrophobicContact CG-CD1 4.13Å; Y275-Y321 HydrophobicContact CG-CG 4.31Å; I289-Y321 HydrophobicContact CD1-CE2 3.9Å; I289-Y321 HydrophobicContact CG2-CD1 4.03Å; I289-Y321 HydrophobicContact CG2-CE1 3.6Å; I289-Y321 HydrophobicContact CG2-CE2 4.44Å; Y291-Y321 AromaticContact CD1-CE1 3.71Å; Y291-Y321 HydrophobicContact CD1-CE1 3.71Å; Y291-Y321 HydrophobicContact CD2-CE1 4.44Å; Y291-Y321 HydrophobicContact CE1-CE1 4.28Å; Y291-Y321 HydrophobicContact CG-CD1 4.28Å; Y291-Y321 AromaticContact CG-CE1 3.8Å; Y291-Y321 HydrophobicContact CG-CE1 3.8Å; T301-Y321 PolarHBondContact OG1-OH 2.73Å; A311-Y321 WeakPolarHBondContact O-CE2 3.35Å; L312-Y321 HydrophobicContact CD2-CD2 4.12Å; G315-Y321 VanDerWaalsContact CA-CD2 3.45Å; G315-Y321 PolarHBondContact O-N 3.15Å; Y321-N330 PolarHBondContact O-ND2 2.9Å
322	L	96.3	Very high	93	Very high	54 Å²	54	62.2 Å²	62.2	28%	0.283	31%	0.308	S	S	.	.			trans	-88.4	-37	-174.1	-62.8	176.4	0	0	0	114.4	G273 F316 G319	G273-L322 PolarHBondContact O-N 3.3Å; F316-L322 HydrophobicContact CD2-CD2 3.72Å; F316-L322 HydrophobicContact CE2-CD2 3.77Å; G319-L322 WeakPolarHBondContact O-CD1 3.15Å; G319-L322 WeakPolarHBondContact O-CG 3.15Å
323	F	97.3	Very high	92.6	Very high	53 Å²	53	62.6 Å²	62.6	23%	0.232	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	85.8	-164.5	-55.7	-55.8	0	0	0	111.5	K271 P272 G273 S274 Y275 D325 G326 R327	K271-F323 HydrophobicContact CD-CB 4.49Å; K271-F323 HydrophobicContact CD-CD2 4Å; K271-F323 HydrophobicContact CD-CE2 4.44Å; K271-F323 HydrophobicContact CD-CG 4.22Å; K271-F323 HydrophobicContact CG-CD2 3.88Å; K271-F323 HydrophobicContact CG-CE2 4.1Å; K271-F323 VanDerWaalsContact NZ-CD1 3.32Å; K271-F323 VanDerWaalsContact NZ-CG 3.3Å; P272-F323 VanDerWaalsContact O-CD2 3.23Å; P272-F323 WeakPolarHBondContact O-CD2 3.47Å; P272-F323 VanDerWaalsContact O-CE2 3.26Å; P272-F323 WeakPolarHBondContact O-CE2 3.4Å; G273-F323 PolarHBondContact O-N 2.89Å; S274-F323 WeakPolarHBondContact CA-O 3.47Å; Y275-F323 PolarHBondContact N-O 3.35Å; F323-D325 PolarHBondContact O-N 3.41Å; F323-G326 PolarHBondContact O-N 3.36Å; F323-R327 VanDerWaalsContact CA-O 3.28Å; F323-R327 WeakPolarHBondContact CA-O 3.24Å; F323-R327 WeakPolarHBondContact CB-O 3.36Å; F323-R327 VanDerWaalsContact CD1-O 3.24Å; F323-R327 WeakPolarHBondContact CD1-O 3.42Å
324	P	96.7	Very high	92	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	124.4	-175.5	27.4	-34	0	0	0	110.3	P250 Y275 G326 R327 Q329 N330	P250-P324 HydrophobicContact CG-CB 4.02Å; P250-P324 HydrophobicContact CG-CG 3.82Å; Y275-P324 HydrophobicContact CD1-CB 4.48Å; Y275-P324 HydrophobicContact CE1-CB 3.77Å; Y275-P324 HydrophobicContact CE1-CG 4.31Å; Y275-P324 HydrophobicContact CE2-CB 4.47Å; Y275-P324 CarbonylContact O-C 3.55Å; Y275-P324 WeakPolarHBondContact O-CA 3.4Å; P324-G326 PolarHBondContact O-N 3.35Å; P324-R327 VanDerWaalsContact O-CB 3.27Å; P324-R327 WeakPolarHBondContact O-CB 3.39Å; P324-R327 VanDerWaalsContact O-CG 3.27Å; P324-R327 WeakPolarHBondContact O-CG 3.31Å; P324-R327 PolarHBondContact O-N 3.43Å; P324-Q329 WeakPolarHBondContact CG-O 3.33Å; P324-N330 WeakPolarHBondContact CD-OD1 3.31Å; P324-N330 WeakPolarHBondContact CG-OD1 3.31Å
325	D	96.3	Very high	91	Very high	16 Å²	16	68.4 Å²	68.4	9%	0.086	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	33.9	-172	-168.2	37.7	0	0	0	112.6	P250 M253 R264 F268 Y275 I276 F323 R327	P250-D325 VanDerWaalsContact O-CB 3.31Å; P250-D325 WeakPolarHBondContact O-CB 3.4Å; M253-D325 HydrophobicContact CE-CB 3.83Å; R264-D325 IonicContact CZ-OD1 2.63Å; R264-D325 IonicContact CZ-OD2 3.72Å; R264-D325 IonicContact NE-OD1 3.84Å; R264-D325 PolarHBondContact NE-OD1 3.32Å; R264-D325 IonicContact NH2-OD1 2.78Å; R264-D325 PolarHBondContact NH2-OD1 2.81Å; R264-D325 IonicContact NH2-OD2 2.87Å; R264-D325 PolarHBondContact NH2-OD2 3.27Å; F268-D325 WeakPolarHBondContact CE2-O 3.15Å; F268-D325 VanDerWaalsContact CZ-O 3.27Å; F268-D325 WeakPolarHBondContact CZ-O 3.27Å; Y275-D325 PolarHBondContact O-N 3.43Å; I276-D325 HydrophobicContact CG2-CB 4.1Å; F323-D325 PolarHBondContact O-N 3.41Å; D325-R327 PolarHBondContact O-N 2.89Å; D325-R327 IonicContact OD2-CZ 3.91Å; D325-R327 IonicContact OD2-NE 3.73Å; D325-R327 IonicContact OD2-NH2 3.14Å; D325-R327 PolarHBondContact OD2-NH2 3.04Å; D325-R327 VanDerWaalsContact OD2-NH2 3.14Å
326	G	93.1	Very high	90.1	Very high	12 Å²	12	68.6 Å²	68.6	12%	0.124	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	0.5	-177.8	0	0	0	0	0	115.3	K271 F323 P324	K271-G326 PolarHBondContact NZ-O 2.85Å; F323-G326 PolarHBondContact O-N 3.36Å; P324-G326 PolarHBondContact O-N 3.35Å
327	R	94.4	Very high	89	Confident	122 Å²	122	65.9 Å²	65.9	46%	0.46	34%	0.343	S	S	.	.			trans	-67.8	160.5	-179.3	-57.6	177.2	-159.5	-163.3	6.3	111.3	P250 K271 F323 P324 D325	P250-R327 VanDerWaalsContact CB-CZ 3.5Å; K271-R327 PolarHBondContact NZ-O 2.87Å; F323-R327 VanDerWaalsContact CA-O 3.28Å; F323-R327 WeakPolarHBondContact CA-O 3.24Å; F323-R327 WeakPolarHBondContact CB-O 3.36Å; F323-R327 VanDerWaalsContact CD1-O 3.24Å; F323-R327 WeakPolarHBondContact CD1-O 3.42Å; P324-R327 VanDerWaalsContact O-CB 3.27Å; P324-R327 WeakPolarHBondContact O-CB 3.39Å; P324-R327 VanDerWaalsContact O-CG 3.27Å; P324-R327 WeakPolarHBondContact O-CG 3.31Å; P324-R327 PolarHBondContact O-N 3.43Å; D325-R327 PolarHBondContact O-N 2.89Å; D325-R327 IonicContact OD2-CZ 3.91Å; D325-R327 IonicContact OD2-NE 3.73Å; D325-R327 IonicContact OD2-NH2 3.14Å; D325-R327 PolarHBondContact OD2-NH2 3.04Å; D325-R327 VanDerWaalsContact OD2-NH2 3.14Å
328	T	91.2	Very high	87.3	Confident	125 Å²	125	61.7 Å²	61.7	77%	0.767	33%	0.331	S	S	*	.	S	Bend	trans	-87.4	-20.6	179.7	43.2	0	0	0	0	113.8
329	Q	90.8	Very high	85.3	Confident	160 Å²	160	61 Å²	61	75%	0.748	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-100.3	122.6	177	-172.6	177.2	18.3	0	0	109.5	P324	P324-Q329 WeakPolarHBondContact CG-O 3.33Å
330	N	89	Confident	82.8	Confident	34 Å²	34	62.2 Å²	62.2	18%	0.182	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-93.2	137.3	166.7	-152	25	0	0	0	108.3	Y275 F316 Y321 P324	Y275-N330 PolarHBondContact OH-OD1 3.17Å; F316-N330 HydrophobicContact CD2-CB 4.47Å; F316-N330 WeakPolarHBondContact CD2-ND2 3.49Å; F316-N330 HydrophobicContact CE2-CB 4.19Å; Y321-N330 PolarHBondContact O-ND2 2.9Å; P324-N330 WeakPolarHBondContact CD-OD1 3.31Å; P324-N330 WeakPolarHBondContact CG-OD1 3.31Å
331	P	87.6	Confident	80.6	Confident	47 Å²	47	64 Å²	64	31%	0.305	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-63.6	144.3	168.1	-20.1	33.4	0	0	0	110.5	P250	P250-P331 VanDerWaalsContact CD-CG 3.44Å; P250-P331 HydrophobicContact CG-CG 4Å
332	D	82.7	Confident	78.3	Confident	129 Å²	129	65.7 Å²	65.7	69%	0.69	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-75.6	130.7	164.3	-173.5	8.6	0	0	0	109.3	M334	D332-M334 VanDerWaalsContact OD1-CB 3.26Å; D332-M334 WeakPolarHBondContact OD1-CB 3.12Å; D332-M334 VanDerWaalsContact OD1-CG 3.22Å; D332-M334 WeakPolarHBondContact OD1-CG 3.43Å; D332-M334 PolarHBondContact OD1-N 2.92Å
333	L	86.5	Confident	76	Confident	12 Å²	12	67.3 Å²	67.3	6%	0.063	38%	0.377	C	S	.	.			trans	-115.2	-2.2	177.4	-62.3	178.3	0	0	0	112.2	L245 F309 L312 I313 G335 L336	L245-L333 HydrophobicContact CD2-CD1 4.09Å; L245-L333 HydrophobicContact CD2-CD2 4.43Å; F309-L333 HydrophobicContact CB-CB 4.42Å; F309-L333 HydrophobicContact CB-CD1 4.48Å; L312-L333 HydrophobicContact CB-CD1 3.85Å; L312-L333 HydrophobicContact CD1-CD1 3.64Å; L312-L333 HydrophobicContact CG-CD1 4.42Å; I313-L333 HydrophobicContact CD1-CB 4.18Å; I313-L333 HydrophobicContact CG1-CB 4.07Å; L333-G335 PolarHBondContact O-N 3.34Å; L333-G335 VanDerWaalsContact O-N 3.16Å; L333-L336 HydrophobicContact CD2-CD1 4.04Å; L333-L336 WeakPolarHBondContact O-CB 3.39Å; L333-L336 PolarHBondContact O-N 3.42Å
334	M	79.4	Confident	74.2	Confident	104 Å²	104	70 Å²	70	51%	0.512	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-56.4	-31.8	178.1	-67.4	-61.4	-58.5	0	0	112	I313 D332 L336 C337	I313-M334 HydrophobicContact CB-SD 4.46Å; I313-M334 HydrophobicContact CD1-SD 3.91Å; I313-M334 HydrophobicContact CG1-SD 4.07Å; I313-M334 HydrophobicContact CG2-SD 3.54Å; I313-M334 VanDerWaalsContact CG2-SD 3.54Å; D332-M334 VanDerWaalsContact OD1-CB 3.26Å; D332-M334 WeakPolarHBondContact OD1-CB 3.12Å; D332-M334 VanDerWaalsContact OD1-CG 3.22Å; D332-M334 WeakPolarHBondContact OD1-CG 3.43Å; D332-M334 PolarHBondContact OD1-N 2.92Å; M334-L336 PolarHBondContact O-N 2.94Å; M334-L336 VanDerWaalsContact O-N 3.14Å; M334-C337 VanDerWaalsContact O-CB 3.27Å; M334-C337 WeakPolarHBondContact O-CB 3.27Å; M334-C337 PolarHBondContact O-N 3.1Å
335	G	70.8	Confident	72.7	Confident	45 Å²	45	72 Å²	72	46%	0.464	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-64.1	-12.2	174.6	0	0	0	0	0	115.4	R240 L333	R240-G335 VanDerWaalsContact CZ-O 3.25Å; R240-G335 PolarHBondContact NH1-O 3.37Å; R240-G335 PolarHBondContact NH2-O 3.49Å; L333-G335 PolarHBondContact O-N 3.34Å; L333-G335 VanDerWaalsContact O-N 3.16Å
336	L	74.3	Confident	71.5	Confident	6 Å²	6	78.8 Å²	78.8	3%	0.031	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-88.3	-11.9	171.4	-58.4	-179.7	0	0	0	113.1	R240 L245 F309 L333 M334 E338	R240-L336 HydrophobicContact CG-CD2 4.01Å; L245-L336 HydrophobicContact CG-CD1 4.38Å; F309-L336 HydrophobicContact CB-CB 4.26Å; F309-L336 HydrophobicContact CB-CD1 3.79Å; F309-L336 HydrophobicContact CD1-CB 4.25Å; F309-L336 HydrophobicContact CD1-CD1 4.4Å; F309-L336 HydrophobicContact CD2-CB 4.07Å; F309-L336 HydrophobicContact CG-CB 3.95Å; F309-L336 HydrophobicContact CG-CD1 4.21Å; L333-L336 HydrophobicContact CD2-CD1 4.04Å; L333-L336 WeakPolarHBondContact O-CB 3.39Å; L333-L336 PolarHBondContact O-N 3.42Å; M334-L336 PolarHBondContact O-N 2.94Å; M334-L336 VanDerWaalsContact O-N 3.14Å; L336-E338 PolarHBondContact O-N 2.88Å
337	C	70.9	Confident	70.5	Confident	46 Å²	46	78.8 Å²	78.8	31%	0.311	43%	0.427	S	S	.	.			trans	-73.9	70.1	164.2	-59.1	0	0	0	0	108.6	M334	M334-C337 VanDerWaalsContact O-CB 3.27Å; M334-C337 WeakPolarHBondContact O-CB 3.27Å; M334-C337 PolarHBondContact O-N 3.1Å
338	E	58	Low	69.6	Low	73 Å²	73	75.8 Å²	75.8	34%	0.341	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-55.4	129	158.3	-74.2	166	179.9	0	0	107.2	S236 S237 R240 L336 S340	S236-E338 PolarHBondContact OG-OE2 2.89Å; S237-E338 WeakPolarHBondContact CB-OE1 3.48Å; S237-E338 WeakPolarHBondContact CB-OE2 3.28Å; S237-E338 PolarHBondContact OG-OE2 2.84Å; R240-E338 IonicContact CZ-OE1 3.81Å; R240-E338 IonicContact NH1-OE1 2.71Å; R240-E338 PolarHBondContact NH1-OE1 2.83Å; L336-E338 PolarHBondContact O-N 2.88Å; E338-S340 PolarHBondContact O-N 2.89Å
339	P	49.9	Very low	68.8	Low	96 Å²	96	73.4 Å²	73.4	62%	0.623	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-56	144.3	159.5	27.9	-32.9	0	0	0	106.9
340	S	42.2	Very low	68.2	Low	59 Å²	59	72.1 Å²	72.1	41%	0.413	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-55.6	159.3	165.5	54.3	0	0	0	0	109	E338 Q342 P414	E338-S340 PolarHBondContact O-N 2.89Å; S340-Q342 PolarHBondContact O-N 3.35Å; S340-P414 WeakPolarHBondContact OG-CG 3.27Å
341	P	49.2	Very low	67.3	Low	128 Å²	128	73.8 Å²	73.8	83%	0.831	40%	0.403	S	S	*	.			trans	-50.1	111.6	155.9	24.6	-33.2	0	0	0	106.9
342	Q	48.8	Very low	66.7	Low	59 Å²	59	75.5 Å²	75.5	28%	0.276	40%	0.404	S	S	.	.			trans	-74.8	136.2	-177.9	-74.2	169.2	-95.9	0	0	106.8	S340 H344 P414 I415 V416	S340-Q342 PolarHBondContact O-N 3.35Å; Q342-H344 PolarHBondContact O-CD2 3.37Å; Q342-H344 PolarHBondContact O-N 3.38Å; Q342-P414 HydrophobicContact CG-CB 4.38Å; Q342-I415 PolarHBondContact NE2-O 3.13Å; Q342-V416 HydrophobicContact CB-CB 4.13Å; Q342-V416 HydrophobicContact CB-CG2 3.63Å; Q342-V416 HydrophobicContact CG-CG2 4.18Å
343	D	47.3	Very low	66.7	Low	87 Å²	87	74.2 Å²	74.2	47%	0.465	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	112.6	-174.4	-151.1	35.9	0	0	0	108.6	I345 P414 I415 V416	D343-I345 PolarHBondContact O-N 3.15Å; D343-I345 VanDerWaalsContact O-N 3.09Å; D343-P414 PolarHBondContact N-O 3.22Å; D343-I415 HydrophobicContact CB-CG2 4.15Å; D343-V416 PolarHBondContact O-N 3.09Å; D343-V416 VanDerWaalsContact O-N 3.12Å; D343-V416 VanDerWaalsContact O-O 3.14Å
344	H	58.5	Low	66.2	Low	111 Å²	111	78.2 Å²	78.2	51%	0.514	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	92.9	-169.6	-86.2	-96.8	0	0	0	110.2	Q342 K346 V416 D418	Q342-H344 PolarHBondContact O-CD2 3.37Å; Q342-H344 PolarHBondContact O-N 3.38Å; H344-K346 PolarHBondContact O-N 2.66Å; H344-K346 VanDerWaalsContact O-N 3.13Å; H344-V416 WeakPolarHBondContact CA-O 3.47Å; H344-D418 IonicContact CE1-OD1 3.52Å; H344-D418 IonicContact CG-OD1 3.89Å; H344-D418 IonicContact CG-OD2 3.98Å; H344-D418 IonicContact ND1-OD1 2.76Å; H344-D418 PolarHBondContact ND1-OD1 3.06Å; H344-D418 IonicContact ND1-OD2 3.4Å; H344-D418 PolarHBondContact ND1-OD2 3.13Å
345	I	66.8	Low	65.8	Low	41 Å²	41	76.5 Å²	76.5	21%	0.21	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	96.9	176.7	-57.2	-174.5	0	0	0	108.6	D343 F362 L383 I415 V416 V417 D418	D343-I345 PolarHBondContact O-N 3.15Å; D343-I345 VanDerWaalsContact O-N 3.09Å; I345-F362 HydrophobicContact CG2-CE1 4.19Å; I345-F362 HydrophobicContact CG2-CZ 4.42Å; I345-L383 HydrophobicContact CD1-CD1 3.68Å; I345-L383 HydrophobicContact CD1-CD2 4.05Å; I345-I415 HydrophobicContact CD1-CB 4.34Å; I345-I415 HydrophobicContact CD1-CD1 3.73Å; I345-I415 HydrophobicContact CD1-CG2 4.16Å; I345-V416 PolarHBondContact N-O 3.02Å; I345-V417 HydrophobicContact CB-CG2 4.5Å; I345-D418 PolarHBondContact O-N 2.96Å
346	K	70.1	Confident	66.1	Low	158 Å²	158	77.3 Å²	77.3	69%	0.687	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	129.4	169.3	-64.1	-164.8	173.9	-161.1	0	110.7	H344 D418	H344-K346 PolarHBondContact O-N 2.66Å; H344-K346 VanDerWaalsContact O-N 3.13Å; K346-D418 HydrophobicContact CG-CB 4.4Å
347	V	72.8	Confident	66.3	Low	13 Å²	13	84.7 Å²	84.7	8%	0.079	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-75.9	131.7	174.6	-173.9	0	0	0	0	109	Q351 F362 V417 D418 F420	V347-Q351 HydrophobicContact CG1-CB 3.74Å; V347-F362 HydrophobicContact CB-CD1 4.44Å; V347-F362 HydrophobicContact CG1-CB 3.76Å; V347-F362 HydrophobicContact CG1-CD1 4.36Å; V347-F362 HydrophobicContact CG1-CG 4.05Å; V347-F362 HydrophobicContact CG2-CB 3.92Å; V347-F362 HydrophobicContact CG2-CD1 3.35Å; V347-F362 HydrophobicContact CG2-CE1 4.08Å; V347-F362 HydrophobicContact CG2-CG 3.86Å; V347-V417 HydrophobicContact CG2-CG1 3.73Å; V347-D418 WeakPolarHBondContact CG2-O 3.14Å; V347-F420 HydrophobicContact CB-CB 4.26Å
348	T	75.1	Confident	66.3	Low	58 Å²	58	89.5 Å²	89.5	36%	0.356	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-77.8	160.3	175.6	78.2	0	0	0	0	110.9	E350 Q351 Y352	T348-E350 VanDerWaalsContact C-N 3.32Å; T348-E350 WeakPolarHBondContact CB-OE2 3.26Å; T348-E350 PolarHBondContact O-N 3.01Å; T348-E350 PolarHBondContact OG1-OE2 3.26Å; T348-Q351 WeakPolarHBondContact O-CB 3.27Å; T348-Q351 PolarHBondContact O-N 3.15Å; T348-Q351 VanDerWaalsContact OG1-CG 3.29Å; T348-Q351 WeakPolarHBondContact OG1-CG 3.46Å; T348-Q351 PolarHBondContact OG1-N 3.29Å; T348-Y352 PolarHBondContact O-N 3.01Å
349	Q	74.9	Confident	67	Low	76 Å²	76	89.5 Å²	89.5	36%	0.355	48%	0.475	S	S	.	.	H	α-helix	trans	-61	-41.6	-179.4	-177.6	171.5	-25.8	0	0	111.6	Q351 Y352 E353 F420 N425	Q349-Q351 VanDerWaalsContact C-N 3.29Å; Q349-Q351 PolarHBondContact O-N 3.22Å; Q349-Y352 PolarHBondContact O-N 2.81Å; Q349-E353 HydrophobicContact CG-CG 4.39Å; Q349-E353 VanDerWaalsContact CG-OE1 3.28Å; Q349-E353 WeakPolarHBondContact CG-OE1 3.36Å; Q349-E353 PolarHBondContact NE2-OE1 2.96Å; Q349-E353 WeakPolarHBondContact O-CG 3.38Å; Q349-E353 PolarHBondContact O-N 2.82Å; Q349-F420 HydrophobicContact CB-CE2 3.9Å; Q349-F420 HydrophobicContact CB-CZ 3.7Å; Q349-F420 HydrophobicContact CG-CE1 4.3Å; Q349-F420 HydrophobicContact CG-CE2 4.49Å; Q349-F420 HydrophobicContact CG-CZ 3.78Å; Q349-N425 PolarHBondContact OE1-ND2 3.06Å
350	E	77.1	Confident	68.5	Low	133 Å²	133	86.8 Å²	86.8	62%	0.621	46%	0.458	S	S	*	.	H	α-helix	trans	-66.9	-32.7	179	-39.9	89	154.8	0	0	111.8	T348 L354	T348-E350 VanDerWaalsContact C-N 3.32Å; T348-E350 WeakPolarHBondContact CB-OE2 3.26Å; T348-E350 PolarHBondContact O-N 3.01Å; T348-E350 PolarHBondContact OG1-OE2 3.26Å; E350-L354 VanDerWaalsContact O-CB 3.27Å; E350-L354 WeakPolarHBondContact O-CB 3.35Å; E350-L354 PolarHBondContact O-N 3.41Å; E350-L354 VanDerWaalsContact O-N 3.16Å
351	Q	70.3	Confident	70.1	Confident	68 Å²	68	86.4 Å²	86.4	32%	0.318	45%	0.454	S	S	.	.	H	α-helix	trans	-66.6	-49.6	171.8	-70.1	169.6	5.1	0	0	110.5	V347 T348 Q349 E353 L354 Y355	V347-Q351 HydrophobicContact CG1-CB 3.74Å; T348-Q351 WeakPolarHBondContact O-CB 3.27Å; T348-Q351 PolarHBondContact O-N 3.15Å; T348-Q351 VanDerWaalsContact OG1-CG 3.29Å; T348-Q351 WeakPolarHBondContact OG1-CG 3.46Å; T348-Q351 PolarHBondContact OG1-N 3.29Å; Q349-Q351 VanDerWaalsContact C-N 3.29Å; Q349-Q351 PolarHBondContact O-N 3.22Å; Q351-E353 PolarHBondContact O-N 2.99Å; Q351-L354 PolarHBondContact O-N 2.78Å; Q351-Y355 WeakPolarHBondContact O-CD2 3.46Å; Q351-Y355 PolarHBondContact O-N 3.14Å
352	Y	76.2	Confident	71.4	Confident	83 Å²	83	81.6 Å²	81.6	33%	0.325	42%	0.42	S	S	.	.	H	α-helix	trans	-57	-49.3	180	177.2	-98.6	0	0	0	111.8	T348 Q349 L354 Y355 C356 F420	T348-Y352 PolarHBondContact O-N 3.01Å; Q349-Y352 PolarHBondContact O-N 2.81Å; Y352-L354 PolarHBondContact O-N 3.23Å; Y352-Y355 PolarHBondContact O-N 2.94Å; Y352-C356 WeakPolarHBondContact O-CB 3.28Å; Y352-C356 PolarHBondContact O-N 3.32Å; Y352-C356 PolarHBondContact O-SG 3.09Å; Y352-C356 VanDerWaalsContact O-SG 3.33Å; Y352-F420 AromaticContact CD1-CD1 3.59Å; Y352-F420 HydrophobicContact CD1-CD1 3.59Å; Y352-F420 AromaticContact CD1-CE1 4Å; Y352-F420 HydrophobicContact CD1-CE1 4Å; Y352-F420 HydrophobicContact CD2-CB 3.73Å; Y352-F420 AromaticContact CD2-CD1 3.92Å; Y352-F420 HydrophobicContact CD2-CD1 3.92Å; Y352-F420 HydrophobicContact CD2-CG 4.23Å; Y352-F420 HydrophobicContact CE1-CD1 4.08Å; Y352-F420 HydrophobicContact CE2-CB 4.41Å; Y352-F420 HydrophobicContact CE2-CD1 4.37Å; Y352-F420 HydrophobicContact CG-CB 3.97Å; Y352-F420 AromaticContact CG-CD1 3.49Å; Y352-F420 HydrophobicContact CG-CD1 3.49Å; Y352-F420 VanDerWaalsContact CG-CD1 3.49Å; Y352-F420 HydrophobicContact CG-CE1 4.26Å; Y352-F420 AromaticContact CG-CG 3.99Å; Y352-F420 HydrophobicContact CG-CG 3.99Å
353	E	80.8	Confident	73	Confident	102 Å²	102	81.4 Å²	81.4	48%	0.477	42%	0.419	S	S	.	.	H	α-helix	trans	-58.6	-47.2	178.6	-71.3	171.1	-177.4	0	0	111.9	Q349 Q351 Y355 C356 E357	Q349-E353 HydrophobicContact CG-CG 4.39Å; Q349-E353 VanDerWaalsContact CG-OE1 3.28Å; Q349-E353 WeakPolarHBondContact CG-OE1 3.36Å; Q349-E353 PolarHBondContact NE2-OE1 2.96Å; Q349-E353 WeakPolarHBondContact O-CG 3.38Å; Q349-E353 PolarHBondContact O-N 2.82Å; Q351-E353 PolarHBondContact O-N 2.99Å; E353-Y355 PolarHBondContact O-N 3.43Å; E353-C356 PolarHBondContact O-N 2.73Å; E353-E357 PolarHBondContact O-N 3.18Å
354	L	77.2	Confident	75	Confident	96 Å²	96	79.2 Å²	79.2	50%	0.503	41%	0.407	S	S	.	.	H	α-helix	trans	-62.7	-39.1	178	179.7	65.2	0	0	0	113.2	E350 Q351 Y352 M358	E350-L354 VanDerWaalsContact O-CB 3.27Å; E350-L354 WeakPolarHBondContact O-CB 3.35Å; E350-L354 PolarHBondContact O-N 3.41Å; E350-L354 VanDerWaalsContact O-N 3.16Å; Q351-L354 PolarHBondContact O-N 2.78Å; Y352-L354 PolarHBondContact O-N 3.23Å; L354-M358 WeakPolarHBondContact O-CG 3.4Å; L354-M358 PolarHBondContact O-N 2.87Å
355	Y	70.1	Confident	76.4	Confident	68 Å²	68	74 Å²	74	27%	0.267	38%	0.382	S	S	.	.	H	α-helix	trans	-71.7	-37.6	176.9	-80.6	-73	0	0	0	111.9	Q351 Y352 E353 M358 G359 S360 F362	Q351-Y355 WeakPolarHBondContact O-CD2 3.46Å; Q351-Y355 PolarHBondContact O-N 3.14Å; Y352-Y355 PolarHBondContact O-N 2.94Å; E353-Y355 PolarHBondContact O-N 3.43Å; Y355-M358 CarbonylContact O-C 3.13Å; Y355-M358 PolarHBondContact O-N 3.42Å; Y355-G359 PolarHBondContact O-N 3.06Å; Y355-S360 CarbonylContact C-O 3.53Å; Y355-S360 CarbonylContact O-C 3.49Å; Y355-S360 PolarHBondContact O-N 3.1Å; Y355-F362 HydrophobicContact CD2-CB 3.78Å; Y355-F362 HydrophobicContact CD2-CD2 4Å; Y355-F362 HydrophobicContact CD2-CG 4.39Å; Y355-F362 HydrophobicContact CE2-CB 4.19Å; Y355-F362 AromaticContact CE2-CD2 3.52Å; Y355-F362 HydrophobicContact CE2-CD2 3.52Å; Y355-F362 HydrophobicContact CE2-CE2 4.46Å; Y355-F362 HydrophobicContact CE2-CG 4.32Å; Y355-F362 HydrophobicContact CG-CB 4.31Å
356	C	77.6	Confident	77.4	Confident	62 Å²	62	75.5 Å²	75.5	42%	0.419	39%	0.388	S	S	.	.	H	α-helix	trans	-62.1	-44.1	174.2	-75	0	0	0	0	112.6	Y352 E353 M358 G359	Y352-C356 WeakPolarHBondContact O-CB 3.28Å; Y352-C356 PolarHBondContact O-N 3.32Å; Y352-C356 PolarHBondContact O-SG 3.09Å; Y352-C356 VanDerWaalsContact O-SG 3.33Å; E353-C356 PolarHBondContact O-N 2.73Å; C356-M358 VanDerWaalsContact C-N 3.25Å; C356-M358 PolarHBondContact O-N 3.35Å; C356-G359 PolarHBondContact O-N 2.93Å; C356-G359 VanDerWaalsContact O-N 3.12Å
357	E	78.3	Confident	78.3	Confident	162 Å²	162	71.7 Å²	71.7	76%	0.757	37%	0.374	S	S	*	.	H	α-helix	trans	-58	-39.6	174.1	-175.7	176.9	-155.8	0	0	111.6	E353 G359	E353-E357 PolarHBondContact O-N 3.18Å; E357-G359 VanDerWaalsContact C-N 3.27Å; E357-G359 PolarHBondContact O-N 3.43Å
358	M	71.1	Confident	79.1	Confident	146 Å²	146	72.7 Å²	72.7	72%	0.719	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	13.1	179.3	-64.5	-70.6	-78.1	0	0	114	L354 Y355 C356 S360	L354-M358 WeakPolarHBondContact O-CG 3.4Å; L354-M358 PolarHBondContact O-N 2.87Å; Y355-M358 CarbonylContact O-C 3.13Å; Y355-M358 PolarHBondContact O-N 3.42Å; C356-M358 VanDerWaalsContact C-N 3.25Å; C356-M358 PolarHBondContact O-N 3.35Å; M358-S360 VanDerWaalsContact C-N 3.31Å; M358-S360 PolarHBondContact O-N 3.45Å
359	G	73.4	Confident	79.6	Confident	74 Å²	74	73 Å²	73	76%	0.763	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	29.5	175.6	0	0	0	0	0	114.6	Y355 C356 E357	Y355-G359 PolarHBondContact O-N 3.06Å; C356-G359 PolarHBondContact O-N 2.93Å; C356-G359 VanDerWaalsContact O-N 3.12Å; E357-G359 VanDerWaalsContact C-N 3.27Å; E357-G359 PolarHBondContact O-N 3.43Å
360	S	80	Confident	80.1	Confident	38 Å²	38	77 Å²	77	27%	0.266	41%	0.408	S	S	.	.			trans	-138.4	177	-176.1	-158.2	0	0	0	0	110.8	Y355 M358 K366	Y355-S360 CarbonylContact C-O 3.53Å; Y355-S360 CarbonylContact O-C 3.49Å; Y355-S360 PolarHBondContact O-N 3.1Å; M358-S360 VanDerWaalsContact C-N 3.31Å; M358-S360 PolarHBondContact O-N 3.45Å; S360-K366 PolarHBondContact OG-NZ 3.43Å
361	T	75.8	Confident	80.4	Confident	52 Å²	52	74 Å²	74	32%	0.319	40%	0.396	S	S	.	.			trans	-124.3	149.7	174	62.4	0	0	0	0	109.8	Q363 L364 K366	T361-Q363 VanDerWaalsContact C-N 3.27Å; T361-Q363 PolarHBondContact O-N 2.67Å; T361-Q363 VanDerWaalsContact OG1-CG 3.28Å; T361-Q363 WeakPolarHBondContact OG1-CG 3.47Å; T361-L364 PolarHBondContact O-N 2.89Å; T361-L364 WeakPolarHBondContact OG1-CD1 3.35Å; T361-L364 WeakPolarHBondContact OG1-CG 3.39Å; T361-K366 PolarHBondContact O-NZ 2.86Å
362	F	77.8	Confident	81.1	Confident	27 Å²	27	74.5 Å²	74.5	12%	0.118	40%	0.401	C	S	.	.	S	Bend	trans	-64.3	-34.1	179.5	178.3	-86.9	0	0	0	111.9	I345 V347 Y355 L364 K373 L383 V417	I345-F362 HydrophobicContact CG2-CE1 4.19Å; I345-F362 HydrophobicContact CG2-CZ 4.42Å; V347-F362 HydrophobicContact CB-CD1 4.44Å; V347-F362 HydrophobicContact CG1-CB 3.76Å; V347-F362 HydrophobicContact CG1-CD1 4.36Å; V347-F362 HydrophobicContact CG1-CG 4.05Å; V347-F362 HydrophobicContact CG2-CB 3.92Å; V347-F362 HydrophobicContact CG2-CD1 3.35Å; V347-F362 HydrophobicContact CG2-CE1 4.08Å; V347-F362 HydrophobicContact CG2-CG 3.86Å; Y355-F362 HydrophobicContact CD2-CB 3.78Å; Y355-F362 HydrophobicContact CD2-CD2 4Å; Y355-F362 HydrophobicContact CD2-CG 4.39Å; Y355-F362 HydrophobicContact CE2-CB 4.19Å; Y355-F362 AromaticContact CE2-CD2 3.52Å; Y355-F362 HydrophobicContact CE2-CD2 3.52Å; Y355-F362 HydrophobicContact CE2-CE2 4.46Å; Y355-F362 HydrophobicContact CE2-CG 4.32Å; Y355-F362 HydrophobicContact CG-CB 4.31Å; F362-L364 PolarHBondContact O-N 2.77Å; F362-K373 WeakPolarHBondContact O-CD 3.47Å; F362-K373 WeakPolarHBondContact O-CE 3.25Å; F362-K373 PolarHBondContact O-NZ 2.62Å; F362-L383 HydrophobicContact CE1-CD1 4.3Å; F362-L383 HydrophobicContact CZ-CD1 3.95Å; F362-V417 HydrophobicContact CD1-CG1 3.48Å; F362-V417 VanDerWaalsContact CD1-CG1 3.48Å; F362-V417 HydrophobicContact CE1-CG1 3.76Å; F362-V417 HydrophobicContact CE1-CG2 4.1Å
363	Q	83.1	Confident	81.7	Confident	54 Å²	54	71.1 Å²	71.1	25%	0.252	39%	0.388	S	S	.	.	S	Bend	trans	-58.3	-40.9	178.6	60	-177.9	91.1	0	0	114	T361 C365 D372 K373 V417	T361-Q363 VanDerWaalsContact C-N 3.27Å; T361-Q363 PolarHBondContact O-N 2.67Å; T361-Q363 VanDerWaalsContact OG1-CG 3.28Å; T361-Q363 WeakPolarHBondContact OG1-CG 3.47Å; Q363-C365 PolarHBondContact O-N 2.83Å; Q363-D372 VanDerWaalsContact CB-OD1 3.31Å; Q363-D372 WeakPolarHBondContact CB-OD1 3.44Å; Q363-D372 WeakPolarHBondContact CG-OD1 3.35Å; Q363-D372 PolarHBondContact NE2-OD1 2.87Å; Q363-D372 CarbonylContact O-C 3.43Å; Q363-D372 WeakPolarHBondContact O-CA 3.38Å; Q363-K373 VanDerWaalsContact O-CG 3.28Å; Q363-K373 WeakPolarHBondContact O-CG 3.46Å; Q363-K373 PolarHBondContact O-N 2.84Å; Q363-V417 HydrophobicContact CB-CB 4.37Å; Q363-V417 HydrophobicContact CB-CG1 3.97Å
364	L	87.4	Confident	81.9	Confident	42 Å²	42	68.8 Å²	68.8	22%	0.22	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-69.6	131	-174.6	-71.9	170.1	0	0	0	113	T361 F362 K366	T361-L364 PolarHBondContact O-N 2.89Å; T361-L364 WeakPolarHBondContact OG1-CD1 3.35Å; T361-L364 WeakPolarHBondContact OG1-CG 3.39Å; F362-L364 PolarHBondContact O-N 2.77Å; L364-K366 WeakPolarHBondContact O-CD 3.08Å; L364-K366 WeakPolarHBondContact O-CE 3.21Å; L364-K366 PolarHBondContact O-N 3.11Å; L364-K366 PolarHBondContact O-NZ 3.08Å
365	C	88.4	Confident	82.3	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	36%	0.357	C	S	.	.			trans	-55.9	128.7	174.5	174	0	0	0	0	111.4	Q363 I367 A369 N371 C385	Q363-C365 PolarHBondContact O-N 2.83Å; C365-I367 PolarHBondContact O-N 2.93Å; C365-A369 VanDerWaalsContact O-CA 3.25Å; C365-A369 WeakPolarHBondContact O-CA 3.38Å; C365-A369 PolarHBondContact O-N 3.37Å; C365-N371 WeakPolarHBondContact CB-O 3.34Å; C365-N371 PolarHBondContact N-O 3.22Å; C365-C385 HydrophobicContact CB-CB 3.98Å; C365-C385 PolarHBondContact SG-N 3.44Å; C365-C385 VanDerWaalsContact SG-N 3.36Å
366	K	88.3	Confident	83.2	Confident	73 Å²	73	63.7 Å²	63.7	32%	0.317	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	11.2	-175.1	-53.8	-52.8	175.8	-157.7	0	115	S360 T361 L364 F404	S360-K366 PolarHBondContact OG-NZ 3.43Å; T361-K366 PolarHBondContact O-NZ 2.86Å; L364-K366 WeakPolarHBondContact O-CD 3.08Å; L364-K366 WeakPolarHBondContact O-CE 3.21Å; L364-K366 PolarHBondContact O-N 3.11Å; L364-K366 PolarHBondContact O-NZ 3.08Å; K366-F404 HydrophobicContact CB-CE1 4.16Å; K366-F404 HydrophobicContact CB-CZ 4.22Å
367	I	87.8	Confident	83.7	Confident	79 Å²	79	60.8 Å²	60.8	41%	0.405	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-48.6	173.4	-60.3	172.7	0	0	0	110.5	C365 M384 C388 P403 F404	C365-I367 PolarHBondContact O-N 2.93Å; I367-M384 HydrophobicContact CD1-CB 4.33Å; I367-M384 HydrophobicContact CD1-CE 3.77Å; I367-M384 HydrophobicContact CD1-SD 3.86Å; I367-C388 HydrophobicContact CB-CB 4.02Å; I367-C388 HydrophobicContact CD1-CB 3.98Å; I367-C388 HydrophobicContact CG2-CB 4Å; I367-P403 HydrophobicContact CD1-CB 3.68Å; I367-P403 HydrophobicContact CD1-CG 4.08Å; I367-F404 HydrophobicContact CD1-CE2 4.5Å; I367-F404 HydrophobicContact CD1-CZ 4.27Å; I367-F404 HydrophobicContact CG1-CE1 4.15Å; I367-F404 HydrophobicContact CG1-CZ 3.99Å
368	C	89.8	Confident	83.9	Confident	34 Å²	34	57.9 Å²	57.9	23%	0.23	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-22.4	178.9	58.7	0	0	0	0	114.5	E370 C388	C368-E370 HydrophobicContact CB-CB 4.46Å; C368-E370 WeakPolarHBondContact O-CG 3.5Å; C368-E370 PolarHBondContact O-N 3.3Å; C368-C388 VanDerWaalsContact SG-SG 3.64Å
369	A	86.2	Confident	84.1	Confident	64 Å²	64	55.3 Å²	55.3	53%	0.529	32%	0.316	S	S	.	.	S	Bend	trans	57.4	6	-170.5	0	0	0	0	0	116	C365	C365-A369 VanDerWaalsContact O-CA 3.25Å; C365-A369 WeakPolarHBondContact O-CA 3.38Å; C365-A369 PolarHBondContact O-N 3.37Å
370	E	85	Confident	84.8	Confident	159 Å²	159	53.3 Å²	53.3	74%	0.743	29%	0.29	S	S	*	.	S	Bend	trans	-108	-29.4	-175.2	-71.1	168.4	169.1	0	0	114.1	C368	C368-E370 HydrophobicContact CB-CB 4.46Å; C368-E370 WeakPolarHBondContact O-CG 3.5Å; C368-E370 PolarHBondContact O-N 3.3Å
371	N	84.1	Confident	84.9	Confident	70 Å²	70	53.5 Å²	53.5	37%	0.374	30%	0.298	S	S	.	.	S	Bend	trans	-115.8	145.8	-172.6	-63.6	-105.2	0	0	0	109.9	C365 C385	C365-N371 WeakPolarHBondContact CB-O 3.34Å; C365-N371 PolarHBondContact N-O 3.22Å; N371-C385 HydrophobicContact CB-CB 3.83Å
372	D	85.6	Confident	85.6	Confident	79 Å²	79	54 Å²	54	42%	0.422	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-69.5	156.3	175.1	-67.2	-48.1	0	0	0	112.7	Q363 D374 C385	Q363-D372 VanDerWaalsContact CB-OD1 3.31Å; Q363-D372 WeakPolarHBondContact CB-OD1 3.44Å; Q363-D372 WeakPolarHBondContact CG-OD1 3.35Å; Q363-D372 PolarHBondContact NE2-OD1 2.87Å; Q363-D372 CarbonylContact O-C 3.43Å; Q363-D372 WeakPolarHBondContact O-CA 3.38Å; D372-D374 PolarHBondContact O-N 2.96Å; D372-C385 WeakPolarHBondContact O-CB 3.45Å
373	K	86.9	Confident	86.1	Confident	12 Å²	12	54 Å²	54	5%	0.052	30%	0.297	C	S	.	.			trans	-73.3	117.9	175.7	-68.2	157.3	173.3	176.4	0	110.2	F362 Q363 L383 M384 I415 V417	F362-K373 WeakPolarHBondContact O-CD 3.47Å; F362-K373 WeakPolarHBondContact O-CE 3.25Å; F362-K373 PolarHBondContact O-NZ 2.62Å; Q363-K373 VanDerWaalsContact O-CG 3.28Å; Q363-K373 WeakPolarHBondContact O-CG 3.46Å; Q363-K373 PolarHBondContact O-N 2.84Å; K373-L383 HydrophobicContact CB-CB 4.34Å; K373-L383 HydrophobicContact CD-CB 3.75Å; K373-L383 HydrophobicContact CD-CD1 4.32Å; K373-L383 HydrophobicContact CG-CB 4.07Å; K373-M384 CarbonylContact C-O 3.57Å; K373-M384 VanDerWaalsContact CA-O 3.3Å; K373-M384 WeakPolarHBondContact CA-O 3.39Å; K373-I415 HydrophobicContact CB-CD1 4.32Å; K373-V417 HydrophobicContact CB-CG2 3.92Å; K373-V417 HydrophobicContact CD-CG2 4.27Å
374	D	85.5	Confident	86.5	Confident	54 Å²	54	51.4 Å²	51.4	29%	0.289	29%	0.285	S	S	.	.			trans	-118.5	-9.4	-179.4	61.6	31	0	0	0	112.8	D372 M384 C385 T386 P414 I415	D372-D374 PolarHBondContact O-N 2.96Å; D374-M384 PolarHBondContact N-O 2.81Å; D374-C385 WeakPolarHBondContact OD1-CA 3.29Å; D374-T386 VanDerWaalsContact CG-N 3.28Å; D374-T386 WeakPolarHBondContact OD1-CA 3.43Å; D374-T386 VanDerWaalsContact OD1-CB 3.31Å; D374-T386 WeakPolarHBondContact OD1-CB 3.46Å; D374-T386 PolarHBondContact OD1-N 2.96Å; D374-T386 PolarHBondContact OD1-OG1 2.83Å; D374-T386 PolarHBondContact OD2-N 3.35Å; D374-T386 VanDerWaalsContact OD2-N 3.09Å; D374-P414 WeakPolarHBondContact O-CA 3.27Å; D374-I415 VanDerWaalsContact C-CG1 3.49Å; D374-I415 PolarHBondContact O-N 3.25Å
375	V	86.1	Confident	86.7	Confident	7 Å²	7	49.5 Å²	49.5	4%	0.042	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	138	-176.2	66.1	0	0	0	0	113.4	L383 M384 L389 T412 E413	V375-L383 WeakPolarHBondContact O-CA 3.37Å; V375-M384 HydrophobicContact CG1-CG 3.8Å; V375-M384 WeakPolarHBondContact CG1-O 3.15Å; V375-M384 PolarHBondContact N-O 2.86Å; V375-M384 PolarHBondContact O-N 2.86Å; V375-L389 HydrophobicContact CG1-CB 4.39Å; V375-L389 HydrophobicContact CG1-CD2 3.92Å; V375-L389 HydrophobicContact CG2-CD2 4Å; V375-T412 HydrophobicContact CG2-CG2 4.22Å; V375-E413 WeakPolarHBondContact CA-O 3.39Å
376	K	88.6	Confident	86.7	Confident	50 Å²	50	52.6 Å²	52.6	22%	0.217	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.8	175.5	172.5	174.2	156	-153.6	0	109.5	H382 L383 T412 E413 I415	K376-H382 CarbonylContact C-O 3.6Å; K376-H382 WeakPolarHBondContact CA-O 3.3Å; K376-L383 HydrophobicContact CB-CD2 3.54Å; K376-L383 HydrophobicContact CD-CD2 4.14Å; K376-L383 HydrophobicContact CG-CD2 3.72Å; K376-T412 CarbonylContact O-C 3.6Å; K376-T412 WeakPolarHBondContact O-CA 3.15Å; K376-E413 HydrophobicContact CB-CB 4.29Å; K376-E413 WeakPolarHBondContact CD-OE2 3.28Å; K376-E413 WeakPolarHBondContact CE-OE2 3.41Å; K376-E413 PolarHBondContact N-O 2.87Å; K376-E413 IonicContact NZ-OE2 2.62Å; K376-E413 PolarHBondContact NZ-OE2 3.46Å; K376-E413 PolarHBondContact O-N 3.08Å; K376-I415 HydrophobicContact CB-CG2 3.76Å; K376-I415 HydrophobicContact CD-CG2 4.21Å
377	I	88.2	Confident	86.6	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.2	-173.5	-61.6	177.9	0	0	0	111.4	C380 G381 H382 M384 L389 C402 I409	I377-C380 VanDerWaalsContact CG2-SG 3.59Å; I377-C380 CarbonylContact O-C 3.56Å; I377-C380 PolarHBondContact O-N 3.22Å; I377-C380 VanDerWaalsContact O-N 3.08Å; I377-C380 PolarHBondContact O-SG 3.11Å; I377-G381 PolarHBondContact O-N 3.15Å; I377-H382 PolarHBondContact N-O 3Å; I377-M384 HydrophobicContact CD1-CE 3.42Å; I377-M384 VanDerWaalsContact CD1-CE 3.42Å; I377-M384 HydrophobicContact CD1-CG 4.43Å; I377-M384 HydrophobicContact CD1-SD 3.75Å; I377-L389 HydrophobicContact CD1-CD1 3.83Å; I377-L389 HydrophobicContact CD1-CD2 4.24Å; I377-L389 HydrophobicContact CG1-CD2 4.17Å; I377-C402 HydrophobicContact CD1-CB 4.45Å; I377-C402 HydrophobicContact CG2-CB 4.18Å; I377-I409 HydrophobicContact CD1-CD1 4.43Å; I377-I409 HydrophobicContact CG2-CB 4.35Å; I377-I409 HydrophobicContact CG2-CD1 4.2Å; I377-I409 HydrophobicContact CG2-CG1 3.81Å; I377-I409 HydrophobicContact CG2-CG2 4.04Å
378	E	82.6	Confident	86.7	Confident	101 Å²	101	49.9 Å²	49.9	47%	0.472	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	143.9	174.8	-66.5	-144.5	118.5	0	0	112.9	K410 G411	E378-K410 PolarHBondContact O-N 3.2Å; E378-G411 PolarHBondContact N-O 3.39Å
379	P	75.2	Confident	86.7	Confident	91 Å²	91	48.5 Å²	48.5	59%	0.591	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	cis	-88.2	5.5	1.8	36.6	-36.7	0	0	0	113.7	E408	P379-E408 WeakPolarHBondContact CD-O 3.38Å
380	C	87.7	Confident	86.7	Confident	32 Å²	32	48 Å²	48	22%	0.216	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-3.9	-164.3	73.3	0	0	0	0	116.1	I377 H382 C402 C405 C407	I377-C380 VanDerWaalsContact CG2-SG 3.59Å; I377-C380 CarbonylContact O-C 3.56Å; I377-C380 PolarHBondContact O-N 3.22Å; I377-C380 VanDerWaalsContact O-N 3.08Å; I377-C380 PolarHBondContact O-SG 3.11Å; C380-H382 PolarHBondContact O-N 2.68Å; C380-H382 VanDerWaalsContact O-N 3.1Å; C380-H382 PolarHBondContact O-ND1 3.36Å; C380-H382 PolarHBondContact SG-ND1 3.03Å; C380-H382 VanDerWaalsContact SG-ND1 3.43Å; C380-C402 VanDerWaalsContact SG-SG 3.62Å; C380-C405 VanDerWaalsContact CB-SG 3.58Å; C380-C407 HydrophobicContact CB-CB 4.28Å
381	G	81.8	Confident	86.8	Confident	42 Å²	42	43.5 Å²	43.5	43%	0.433	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	4.1	177	0	0	0	0	0	116.5	I377 L383	I377-G381 PolarHBondContact O-N 3.15Å; G381-L383 WeakPolarHBondContact O-CD2 3.35Å
382	H	91.1	Very high	86.9	Confident	64 Å²	64	43.4 Å²	43.4	30%	0.296	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	141	-173.8	-76.1	75.1	0	0	0	112.8	K376 I377 C380 F404	K376-H382 CarbonylContact C-O 3.6Å; K376-H382 WeakPolarHBondContact CA-O 3.3Å; I377-H382 PolarHBondContact N-O 3Å; C380-H382 PolarHBondContact O-N 2.68Å; C380-H382 VanDerWaalsContact O-N 3.1Å; C380-H382 PolarHBondContact O-ND1 3.36Å; C380-H382 PolarHBondContact SG-ND1 3.03Å; C380-H382 VanDerWaalsContact SG-ND1 3.43Å; H382-F404 HydrophobicContact CB-CD2 3.69Å; H382-F404 HydrophobicContact CB-CE2 4.25Å; H382-F404 WeakPolarHBondContact CD2-CB 3.13Å; H382-F404 AromaticContact CD2-CD2 3.46Å; H382-F404 VanDerWaalsContact CD2-CD2 3.46Å; H382-F404 WeakPolarHBondContact CD2-CD2 3.36Å; H382-F404 AromaticContact CD2-CG 3.56Å; H382-F404 AromaticContact CG-CD2 3.86Å
383	L	89.7	Confident	86.8	Confident	26 Å²	26	44 Å²	44	14%	0.136	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.8	-173.8	-48.9	-173.2	0	0	0	112.4	I345 F362 K373 V375 K376 G381 I415	I345-L383 HydrophobicContact CD1-CD1 3.68Å; I345-L383 HydrophobicContact CD1-CD2 4.05Å; F362-L383 HydrophobicContact CE1-CD1 4.3Å; F362-L383 HydrophobicContact CZ-CD1 3.95Å; K373-L383 HydrophobicContact CB-CB 4.34Å; K373-L383 HydrophobicContact CD-CB 3.75Å; K373-L383 HydrophobicContact CD-CD1 4.32Å; K373-L383 HydrophobicContact CG-CB 4.07Å; V375-L383 WeakPolarHBondContact O-CA 3.37Å; K376-L383 HydrophobicContact CB-CD2 3.54Å; K376-L383 HydrophobicContact CD-CD2 4.14Å; K376-L383 HydrophobicContact CG-CD2 3.72Å; G381-L383 WeakPolarHBondContact O-CD2 3.35Å; L383-I415 HydrophobicContact CB-CD1 4.33Å; L383-I415 HydrophobicContact CD1-CD1 4.01Å; L383-I415 HydrophobicContact CD2-CD1 3.75Å; L383-I415 HydrophobicContact CG-CD1 4.24Å
384	M	90.8	Very high	86.5	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	-178.1	175.9	62.5	-173.4	62.9	0	0	111.5	I367 K373 D374 V375 I377 L389 P403 F404	I367-M384 HydrophobicContact CD1-CB 4.33Å; I367-M384 HydrophobicContact CD1-CE 3.77Å; I367-M384 HydrophobicContact CD1-SD 3.86Å; K373-M384 CarbonylContact C-O 3.57Å; K373-M384 VanDerWaalsContact CA-O 3.3Å; K373-M384 WeakPolarHBondContact CA-O 3.39Å; D374-M384 PolarHBondContact N-O 2.81Å; V375-M384 HydrophobicContact CG1-CG 3.8Å; V375-M384 WeakPolarHBondContact CG1-O 3.15Å; V375-M384 PolarHBondContact N-O 2.86Å; V375-M384 PolarHBondContact O-N 2.86Å; I377-M384 HydrophobicContact CD1-CE 3.42Å; I377-M384 VanDerWaalsContact CD1-CE 3.42Å; I377-M384 HydrophobicContact CD1-CG 4.43Å; I377-M384 HydrophobicContact CD1-SD 3.75Å; M384-L389 HydrophobicContact CG-CB 4.3Å; M384-L389 HydrophobicContact SD-CB 3.74Å; M384-L389 HydrophobicContact SD-CD1 4.05Å; M384-L389 HydrophobicContact SD-CG 4.35Å; M384-P403 HydrophobicContact CE-CB 3.91Å; M384-P403 HydrophobicContact CE-CG 3.63Å; M384-P403 HydrophobicContact SD-CG 3.86Å; M384-F404 HydrophobicContact CB-CE2 4.28Å; M384-F404 HydrophobicContact CE-CD2 3.5Å; M384-F404 VanDerWaalsContact CE-CD2 3.5Å; M384-F404 HydrophobicContact CE-CE2 3.29Å; M384-F404 HydrophobicContact CE-CZ 4.26Å
385	C	90.9	Very high	86.2	Confident	1 Å²	1	50 Å²	50	1%	0.007	29%	0.288	C	S	.	.			trans	-88.9	149.5	166.6	73.6	0	0	0	0	111.1	C365 N371 D372 D374 S387 C388 L389	C365-C385 HydrophobicContact CB-CB 3.98Å; C365-C385 PolarHBondContact SG-N 3.44Å; C365-C385 VanDerWaalsContact SG-N 3.36Å; N371-C385 HydrophobicContact CB-CB 3.83Å; D372-C385 WeakPolarHBondContact O-CB 3.45Å; D374-C385 WeakPolarHBondContact OD1-CA 3.29Å; C385-S387 VanDerWaalsContact C-N 3.26Å; C385-S387 PolarHBondContact O-N 3.1Å; C385-C388 PolarHBondContact O-N 3.3Å; C385-C388 VanDerWaalsContact O-N 3.1Å; C385-C388 PolarHBondContact SG-SG 3.31Å; C385-L389 PolarHBondContact O-N 3.45Å
386	T	87.9	Confident	84.8	Confident	65 Å²	65	59.6 Å²	59.6	40%	0.399	33%	0.333	S	S	.	.	H	α-helix	trans	-64.2	-35.3	-175.3	-70.1	0	0	0	0	110.6	D374 C388 L389 T390	D374-T386 VanDerWaalsContact CG-N 3.28Å; D374-T386 WeakPolarHBondContact OD1-CA 3.43Å; D374-T386 VanDerWaalsContact OD1-CB 3.31Å; D374-T386 WeakPolarHBondContact OD1-CB 3.46Å; D374-T386 PolarHBondContact OD1-N 2.96Å; D374-T386 PolarHBondContact OD1-OG1 2.83Å; D374-T386 PolarHBondContact OD2-N 3.35Å; D374-T386 VanDerWaalsContact OD2-N 3.09Å; T386-C388 VanDerWaalsContact C-N 3.33Å; T386-C388 PolarHBondContact O-N 3.19Å; T386-L389 PolarHBondContact O-N 2.73Å; T386-L389 VanDerWaalsContact O-N 3.09Å; T386-T390 PolarHBondContact O-N 3.39Å; T386-T390 PolarHBondContact O-OG1 3.22Å
387	S	86.9	Confident	83.3	Confident	77 Å²	77	60.1 Å²	60.1	54%	0.538	35%	0.352	S	S	.	.	H	α-helix	trans	-53	-45.8	172.4	177.2	0	0	0	0	112.8	C385 A391	C385-S387 VanDerWaalsContact C-N 3.26Å; C385-S387 PolarHBondContact O-N 3.1Å; S387-A391 VanDerWaalsContact O-CB 3.27Å; S387-A391 WeakPolarHBondContact O-CB 3.32Å; S387-A391 PolarHBondContact O-N 3.33Å
388	C	90.8	Very high	81.8	Confident	18 Å²	18	66.8 Å²	66.8	12%	0.122	38%	0.383	C	S	.	.	H	α-helix	trans	-72	-33.2	177.1	-72.6	0	0	0	0	112.8	I367 C368 C385 T386 W392	I367-C388 HydrophobicContact CB-CB 4.02Å; I367-C388 HydrophobicContact CD1-CB 3.98Å; I367-C388 HydrophobicContact CG2-CB 4Å; C368-C388 VanDerWaalsContact SG-SG 3.64Å; C385-C388 PolarHBondContact O-N 3.3Å; C385-C388 VanDerWaalsContact O-N 3.1Å; C385-C388 PolarHBondContact SG-SG 3.31Å; T386-C388 VanDerWaalsContact C-N 3.33Å; T386-C388 PolarHBondContact O-N 3.19Å; C388-W392 WeakPolarHBondContact O-CB 3.34Å; C388-W392 PolarHBondContact O-N 3.5Å; C388-W392 VanDerWaalsContact O-N 3.13Å
389	L	89	Confident	80.9	Confident	6 Å²	6	62.4 Å²	62.4	3%	0.031	37%	0.365	C	S	.	.	H	α-helix	trans	-68.5	-47.5	177.3	-177.2	50.8	0	0	0	111.6	V375 I377 M384 C385 T386 W392 Q393 I409 T412	V375-L389 HydrophobicContact CG1-CB 4.39Å; V375-L389 HydrophobicContact CG1-CD2 3.92Å; V375-L389 HydrophobicContact CG2-CD2 4Å; I377-L389 HydrophobicContact CD1-CD1 3.83Å; I377-L389 HydrophobicContact CD1-CD2 4.24Å; I377-L389 HydrophobicContact CG1-CD2 4.17Å; M384-L389 HydrophobicContact CG-CB 4.3Å; M384-L389 HydrophobicContact SD-CB 3.74Å; M384-L389 HydrophobicContact SD-CD1 4.05Å; M384-L389 HydrophobicContact SD-CG 4.35Å; C385-L389 PolarHBondContact O-N 3.45Å; T386-L389 PolarHBondContact O-N 2.73Å; T386-L389 VanDerWaalsContact O-N 3.09Å; L389-W392 PolarHBondContact O-N 3.22Å; L389-Q393 HydrophobicContact CD1-CG 4.22Å; L389-Q393 WeakPolarHBondContact O-CG 3.4Å; L389-Q393 PolarHBondContact O-N 2.91Å; L389-I409 HydrophobicContact CD1-CD1 3.86Å; L389-T412 HydrophobicContact CD2-CG2 3.73Å
390	T	86.8	Confident	80.5	Confident	54 Å²	54	64.1 Å²	64.1	33%	0.331	37%	0.374	S	S	.	.	H	α-helix	trans	-62.7	-48.6	176.9	-58.5	0	0	0	0	111	T386 W392 Q393 E394	T386-T390 PolarHBondContact O-N 3.39Å; T386-T390 PolarHBondContact O-OG1 3.22Å; T390-W392 PolarHBondContact O-N 2.87Å; T390-Q393 PolarHBondContact O-N 2.96Å; T390-Q393 VanDerWaalsContact O-N 3.08Å; T390-E394 HydrophobicContact CG2-CG 4.18Å; T390-E394 WeakPolarHBondContact CG2-OE1 3.4Å; T390-E394 WeakPolarHBondContact O-CB 3.37Å; T390-E394 WeakPolarHBondContact O-CG 3.36Å; T390-E394 PolarHBondContact O-N 3.16Å
391	A	86.9	Confident	80.2	Confident	63 Å²	63	63 Å²	63	52%	0.521	37%	0.367	S	S	.	.	H	α-helix	trans	-61.2	-28.2	178	0	0	0	0	0	113.5	S387	S387-A391 VanDerWaalsContact O-CB 3.27Å; S387-A391 WeakPolarHBondContact O-CB 3.32Å; S387-A391 PolarHBondContact O-N 3.33Å
392	W	86.8	Confident	80.6	Confident	69 Å²	69	61 Å²	61	26%	0.261	35%	0.346	S	S	.	.	H	α-helix	trans	-75.1	-45.6	171.4	175.6	-98.9	0	0	0	112.4	C388 L389 T390 E394 S395 Q398 G399 G401 P403	C388-W392 WeakPolarHBondContact O-CB 3.34Å; C388-W392 PolarHBondContact O-N 3.5Å; C388-W392 VanDerWaalsContact O-N 3.13Å; L389-W392 PolarHBondContact O-N 3.22Å; T390-W392 PolarHBondContact O-N 2.87Å; W392-E394 VanDerWaalsContact C-N 3.31Å; W392-E394 PolarHBondContact O-N 2.89Å; W392-S395 WeakPolarHBondContact O-CB 3.27Å; W392-S395 PolarHBondContact O-N 3.31Å; W392-S395 VanDerWaalsContact O-N 3.11Å; W392-S395 PolarHBondContact O-OG 3.39Å; W392-Q398 HydrophobicContact CH2-CB 4.13Å; W392-Q398 HydrophobicContact CZ2-CB 4.19Å; W392-G399 WeakPolarHBondContact O-CA 3.38Å; W392-G401 PolarHBondContact NE1-O 3.09Å; W392-P403 HydrophobicContact CB-CG 4.02Å; W392-P403 HydrophobicContact CD2-CB 4.35Å; W392-P403 HydrophobicContact CD2-CG 4.04Å; W392-P403 HydrophobicContact CG-CB 4.42Å; W392-P403 HydrophobicContact CG-CG 3.62Å
393	Q	83.8	Confident	80.5	Confident	90 Å²	90	59.1 Å²	59.1	42%	0.421	34%	0.34	S	S	.	.	H	α-helix	trans	-64.4	-33.7	178.8	-74.4	175.5	-26.4	0	0	112.9	L389 T390 S395	L389-Q393 HydrophobicContact CD1-CG 4.22Å; L389-Q393 WeakPolarHBondContact O-CG 3.4Å; L389-Q393 PolarHBondContact O-N 2.91Å; T390-Q393 PolarHBondContact O-N 2.96Å; T390-Q393 VanDerWaalsContact O-N 3.08Å; Q393-S395 VanDerWaalsContact C-N 3.25Å; Q393-S395 PolarHBondContact O-N 2.86Å
394	E	80.1	Confident	80.5	Confident	146 Å²	146	61.9 Å²	61.9	68%	0.682	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-6.9	175.3	-68.8	178.8	165.5	0	0	113.3	T390 W392 E396	T390-E394 HydrophobicContact CG2-CG 4.18Å; T390-E394 WeakPolarHBondContact CG2-OE1 3.4Å; T390-E394 WeakPolarHBondContact O-CB 3.37Å; T390-E394 WeakPolarHBondContact O-CG 3.36Å; T390-E394 PolarHBondContact O-N 3.16Å; W392-E394 VanDerWaalsContact C-N 3.31Å; W392-E394 PolarHBondContact O-N 2.89Å; E394-E396 PolarHBondContact O-N 3.49Å
395	S	79.6	Confident	80.4	Confident	47 Å²	47	64.1 Å²	64.1	33%	0.329	37%	0.366	S	S	.	.	S	Bend	trans	-78.3	115	179.9	73.8	0	0	0	0	112.5	W392 Q393 G397	W392-S395 WeakPolarHBondContact O-CB 3.27Å; W392-S395 PolarHBondContact O-N 3.31Å; W392-S395 VanDerWaalsContact O-N 3.11Å; W392-S395 PolarHBondContact O-OG 3.39Å; Q393-S395 VanDerWaalsContact C-N 3.25Å; Q393-S395 PolarHBondContact O-N 2.86Å; S395-G397 VanDerWaalsContact C-N 3.29Å; S395-G397 PolarHBondContact O-N 3.26Å
396	E	56.8	Low	80.3	Confident	209 Å²	209	73.6 Å²	73.6	98%	0.977	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	73.6	-176.7	-62.9	-171	146.7	0	0	113.3	E394	E394-E396 PolarHBondContact O-N 3.49Å
397	G	56.5	Low	80.3	Confident	60 Å²	60	73.4 Å²	73.4	62%	0.619	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	164.6	-21.5	170.2	0	0	0	0	0	117.6	S395	S395-G397 VanDerWaalsContact C-N 3.29Å; S395-G397 PolarHBondContact O-N 3.26Å
398	Q	56.5	Low	80.2	Confident	142 Å²	142	76 Å²	76	66%	0.664	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.1	-2.4	-177.7	-89	105.1	30.3	0	0	116	W392 T400	W392-Q398 HydrophobicContact CH2-CB 4.13Å; W392-Q398 HydrophobicContact CZ2-CB 4.19Å; Q398-T400 VanDerWaalsContact C-N 3.29Å; Q398-T400 PolarHBondContact O-N 3.1Å
399	G	62.7	Low	80	Confident	8 Å²	8	76.7 Å²	76.7	8%	0.082	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-0.6	-166.7	0	0	0	0	0	119.6	W392	W392-G399 WeakPolarHBondContact O-CA 3.38Å
400	T	67.1	Low	79.6	Confident	128 Å²	128	83.6 Å²	83.6	79%	0.785	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-16	-171.4	57.4	0	0	0	0	115.4	Q398	Q398-T400 VanDerWaalsContact C-N 3.29Å; Q398-T400 PolarHBondContact O-N 3.1Å
401	G	82.7	Confident	79.1	Confident	7 Å²	7	82.1 Å²	82.1	7%	0.072	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-110.3	163.6	177.6	0	0	0	0	0	112.5	W392 C407	W392-G401 PolarHBondContact NE1-O 3.09Å; G401-C407 CarbonylContact C-O 3.59Å; G401-C407 VanDerWaalsContact CA-O 3.25Å; G401-C407 WeakPolarHBondContact CA-O 3.45Å
402	C	89.4	Confident	79	Confident	0 Å²	0	82.9 Å²	82.9	0%	0	43%	0.432	C	S	.	.			trans	-54	129.4	175.2	177	0	0	0	0	111.6	I377 C380 F404 C405 R406 C407	I377-C402 HydrophobicContact CD1-CB 4.45Å; I377-C402 HydrophobicContact CG2-CB 4.18Å; C380-C402 VanDerWaalsContact SG-SG 3.62Å; C402-F404 PolarHBondContact O-N 2.75Å; C402-C405 VanDerWaalsContact CB-SG 3.57Å; C402-C405 PolarHBondContact O-N 3Å; C402-C405 VanDerWaalsContact SG-SG 3.7Å; C402-R406 WeakPolarHBondContact O-CA 3.4Å; C402-R406 PolarHBondContact O-N 3.17Å; C402-C407 PolarHBondContact N-O 3.2Å
403	P	87.9	Confident	78.7	Confident	26 Å²	26	82.8 Å²	82.8	17%	0.169	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-36.3	176.4	-32.9	33.1	0	0	0	116.1	I367 M384 W392	I367-P403 HydrophobicContact CD1-CB 3.68Å; I367-P403 HydrophobicContact CD1-CG 4.08Å; M384-P403 HydrophobicContact CE-CB 3.91Å; M384-P403 HydrophobicContact CE-CG 3.63Å; M384-P403 HydrophobicContact SD-CG 3.86Å; W392-P403 HydrophobicContact CB-CG 4.02Å; W392-P403 HydrophobicContact CD2-CB 4.35Å; W392-P403 HydrophobicContact CD2-CG 4.04Å; W392-P403 HydrophobicContact CG-CB 4.42Å; W392-P403 HydrophobicContact CG-CG 3.62Å
404	F	90.1	Very high	78.5	Confident	84 Å²	84	81.3 Å²	81.3	37%	0.368	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-50.4	-176.6	-62.1	-72.5	0	0	0	113.5	K366 I367 H382 M384 C402	K366-F404 HydrophobicContact CB-CE1 4.16Å; K366-F404 HydrophobicContact CB-CZ 4.22Å; I367-F404 HydrophobicContact CD1-CE2 4.5Å; I367-F404 HydrophobicContact CD1-CZ 4.27Å; I367-F404 HydrophobicContact CG1-CE1 4.15Å; I367-F404 HydrophobicContact CG1-CZ 3.99Å; H382-F404 HydrophobicContact CB-CD2 3.69Å; H382-F404 HydrophobicContact CB-CE2 4.25Å; H382-F404 WeakPolarHBondContact CD2-CB 3.13Å; H382-F404 AromaticContact CD2-CD2 3.46Å; H382-F404 VanDerWaalsContact CD2-CD2 3.46Å; H382-F404 WeakPolarHBondContact CD2-CD2 3.36Å; H382-F404 AromaticContact CD2-CG 3.56Å; H382-F404 AromaticContact CG-CD2 3.86Å; M384-F404 HydrophobicContact CB-CE2 4.28Å; M384-F404 HydrophobicContact CE-CD2 3.5Å; M384-F404 VanDerWaalsContact CE-CD2 3.5Å; M384-F404 HydrophobicContact CE-CE2 3.29Å; M384-F404 HydrophobicContact CE-CZ 4.26Å; C402-F404 PolarHBondContact O-N 2.75Å
405	C	90.1	Very high	78.5	Confident	47 Å²	47	74.4 Å²	74.4	32%	0.318	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-3.5	-170.3	64.8	0	0	0	0	114.7	C380 C402 C407	C380-C405 VanDerWaalsContact CB-SG 3.58Å; C402-C405 VanDerWaalsContact CB-SG 3.57Å; C402-C405 PolarHBondContact O-N 3Å; C402-C405 VanDerWaalsContact SG-SG 3.7Å; C405-C407 PolarHBondContact O-N 2.96Å; C405-C407 VanDerWaalsContact SG-SG 3.69Å
406	R	88.9	Confident	78.6	Confident	199 Å²	199	74.1 Å²	74.1	75%	0.751	40%	0.397	S	S	*	.			trans	59.1	5.3	-178.5	-56.1	-178.2	-178.7	-178.8	-0.6	116.2	C402	C402-R406 WeakPolarHBondContact O-CA 3.4Å; C402-R406 PolarHBondContact O-N 3.17Å
407	C	87.2	Confident	79.6	Confident	62 Å²	62	64.8 Å²	64.8	42%	0.419	35%	0.354	S	S	.	.			trans	-56.3	141.5	169.6	-65.5	0	0	0	0	111.3	C380 G401 C402 C405 I409	C380-C407 HydrophobicContact CB-CB 4.28Å; G401-C407 CarbonylContact C-O 3.59Å; G401-C407 VanDerWaalsContact CA-O 3.25Å; G401-C407 WeakPolarHBondContact CA-O 3.45Å; C402-C407 PolarHBondContact N-O 3.2Å; C405-C407 PolarHBondContact O-N 2.96Å; C405-C407 VanDerWaalsContact SG-SG 3.69Å; C407-I409 PolarHBondContact O-N 3.22Å
408	E	84.3	Confident	80.5	Confident	131 Å²	131	64 Å²	64	61%	0.612	34%	0.335	S	S	*	.	B	Isolated β-bridge	trans	-51.3	127.2	173.5	179.4	-177.5	-128.7	0	0	111.2	P379 K410	P379-E408 WeakPolarHBondContact CD-O 3.38Å; E408-K410 HydrophobicContact CG-CG 4.39Å; E408-K410 PolarHBondContact O-N 3.35Å; E408-K410 WeakPolarHBondContact OE2-CE 3.24Å; E408-K410 IonicContact OE2-NZ 2.94Å
409	I	85.9	Confident	81.2	Confident	33 Å²	33	61.4 Å²	61.4	17%	0.169	33%	0.331	C	S	.	.			trans	-79.4	110.2	177.1	-58.2	-176.6	0	0	0	108.5	I377 L389 C407 T412	I377-I409 HydrophobicContact CD1-CD1 4.43Å; I377-I409 HydrophobicContact CG2-CB 4.35Å; I377-I409 HydrophobicContact CG2-CD1 4.2Å; I377-I409 HydrophobicContact CG2-CG1 3.81Å; I377-I409 HydrophobicContact CG2-CG2 4.04Å; L389-I409 HydrophobicContact CD1-CD1 3.86Å; C407-I409 PolarHBondContact O-N 3.22Å; I409-T412 HydrophobicContact CG2-CG2 4.13Å
410	K	81	Confident	81.3	Confident	151 Å²	151	63.5 Å²	63.5	66%	0.657	34%	0.338	S	S	*	.			trans	-95.5	-22.7	179.4	-64.8	-172.4	175.9	-174.2	0	113.1	E378 E408	E378-K410 PolarHBondContact O-N 3.2Å; E408-K410 HydrophobicContact CG-CG 4.39Å; E408-K410 PolarHBondContact O-N 3.35Å; E408-K410 WeakPolarHBondContact OE2-CE 3.24Å; E408-K410 IonicContact OE2-NZ 2.94Å
411	G	76.6	Confident	81.3	Confident	23 Å²	23	61.9 Å²	61.9	24%	0.237	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	168.1	179.5	0	0	0	0	0	111.4	E378	E378-G411 PolarHBondContact N-O 3.39Å
412	T	85.4	Confident	80.1	Confident	78 Å²	78	64.9 Å²	64.9	48%	0.479	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	127	177.6	51.9	0	0	0	0	108.7	V375 K376 L389 I409	V375-T412 HydrophobicContact CG2-CG2 4.22Å; K376-T412 CarbonylContact O-C 3.6Å; K376-T412 WeakPolarHBondContact O-CA 3.15Å; L389-T412 HydrophobicContact CD2-CG2 3.73Å; I409-T412 HydrophobicContact CG2-CG2 4.13Å
413	E	80.9	Confident	78.5	Confident	67 Å²	67	72.4 Å²	72.4	31%	0.313	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	128.8	-178.1	179.7	175.1	-127.9	0	0	109.8	V375 K376	V375-E413 WeakPolarHBondContact CA-O 3.39Å; K376-E413 HydrophobicContact CB-CB 4.29Å; K376-E413 WeakPolarHBondContact CD-OE2 3.28Å; K376-E413 WeakPolarHBondContact CE-OE2 3.41Å; K376-E413 PolarHBondContact N-O 2.87Å; K376-E413 IonicContact NZ-OE2 2.62Å; K376-E413 PolarHBondContact NZ-OE2 3.46Å; K376-E413 PolarHBondContact O-N 3.08Å
414	P	78.8	Confident	76.6	Confident	60 Å²	60	78.4 Å²	78.4	39%	0.39	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	131.1	177.9	32.9	-34.7	0	0	0	110.8	S340 Q342 D343 D374	S340-P414 WeakPolarHBondContact OG-CG 3.27Å; Q342-P414 HydrophobicContact CG-CB 4.38Å; D343-P414 PolarHBondContact N-O 3.22Å; D374-P414 WeakPolarHBondContact O-CA 3.27Å
415	I	80.9	Confident	74.4	Confident	1 Å²	1	80.2 Å²	80.2	1%	0.005	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	164	-174.9	60.7	157.1	0	0	0	111.6	Q342 D343 I345 K373 D374 K376 L383 V417	Q342-I415 PolarHBondContact NE2-O 3.13Å; D343-I415 HydrophobicContact CB-CG2 4.15Å; I345-I415 HydrophobicContact CD1-CB 4.34Å; I345-I415 HydrophobicContact CD1-CD1 3.73Å; I345-I415 HydrophobicContact CD1-CG2 4.16Å; K373-I415 HydrophobicContact CB-CD1 4.32Å; D374-I415 VanDerWaalsContact C-CG1 3.49Å; D374-I415 PolarHBondContact O-N 3.25Å; K376-I415 HydrophobicContact CB-CG2 3.76Å; K376-I415 HydrophobicContact CD-CG2 4.21Å; L383-I415 HydrophobicContact CB-CD1 4.33Å; L383-I415 HydrophobicContact CD1-CD1 4.01Å; L383-I415 HydrophobicContact CD2-CD1 3.75Å; L383-I415 HydrophobicContact CG-CD1 4.24Å; I415-V417 HydrophobicContact CD1-CG2 4.11Å
416	V	81.5	Confident	72.2	Confident	41 Å²	41	82.7 Å²	82.7	25%	0.248	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	138.8	162	161.4	0	0	0	0	107	Q342 D343 H344 I345	Q342-V416 HydrophobicContact CB-CB 4.13Å; Q342-V416 HydrophobicContact CB-CG2 3.63Å; Q342-V416 HydrophobicContact CG-CG2 4.18Å; D343-V416 PolarHBondContact O-N 3.09Å; D343-V416 VanDerWaalsContact O-N 3.12Å; D343-V416 VanDerWaalsContact O-O 3.14Å; H344-V416 WeakPolarHBondContact CA-O 3.47Å; I345-V416 PolarHBondContact N-O 3.02Å
417	V	76.9	Confident	69.6	Low	13 Å²	13	76.5 Å²	76.5	8%	0.079	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	109.6	170.9	175.9	0	0	0	0	108.1	I345 V347 F362 Q363 K373 I415 P419	I345-V417 HydrophobicContact CB-CG2 4.5Å; V347-V417 HydrophobicContact CG2-CG1 3.73Å; F362-V417 HydrophobicContact CD1-CG1 3.48Å; F362-V417 VanDerWaalsContact CD1-CG1 3.48Å; F362-V417 HydrophobicContact CE1-CG1 3.76Å; F362-V417 HydrophobicContact CE1-CG2 4.1Å; Q363-V417 HydrophobicContact CB-CB 4.37Å; Q363-V417 HydrophobicContact CB-CG1 3.97Å; K373-V417 HydrophobicContact CB-CG2 3.92Å; K373-V417 HydrophobicContact CD-CG2 4.27Å; I415-V417 HydrophobicContact CD1-CG2 4.11Å; V417-P419 WeakPolarHBondContact O-CD 3.2Å
418	D	75.4	Confident	67	Low	42 Å²	42	77.5 Å²	77.5	23%	0.225	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	123.3	176.6	-70.4	-21.4	0	0	0	109.3	H344 I345 K346 V347 F420	H344-D418 IonicContact CE1-OD1 3.52Å; H344-D418 IonicContact CG-OD1 3.89Å; H344-D418 IonicContact CG-OD2 3.98Å; H344-D418 IonicContact ND1-OD1 2.76Å; H344-D418 PolarHBondContact ND1-OD1 3.06Å; H344-D418 IonicContact ND1-OD2 3.4Å; H344-D418 PolarHBondContact ND1-OD2 3.13Å; I345-D418 PolarHBondContact O-N 2.96Å; K346-D418 HydrophobicContact CG-CB 4.4Å; V347-D418 WeakPolarHBondContact CG2-O 3.14Å; D418-F420 PolarHBondContact O-N 3.14Å
419	P	70.8	Confident	64.5	Low	89 Å²	89	76.6 Å²	76.6	58%	0.578	46%	0.464	S	S	*	.			trans	-60	136.5	172	-22	33.9	0	0	0	110.9	V417 D421	V417-P419 WeakPolarHBondContact O-CD 3.2Å; P419-D421 PolarHBondContact O-N 3Å
420	F	66.4	Low	61.8	Low	52 Å²	52	80.3 Å²	80.3	23%	0.228	49%	0.494	C	S	.	.			trans	-74.4	115.1	173.2	-178.7	-94.8	0	0	0	109.6	V347 Q349 Y352 D418 P422	V347-F420 HydrophobicContact CB-CB 4.26Å; Q349-F420 HydrophobicContact CB-CE2 3.9Å; Q349-F420 HydrophobicContact CB-CZ 3.7Å; Q349-F420 HydrophobicContact CG-CE1 4.3Å; Q349-F420 HydrophobicContact CG-CE2 4.49Å; Q349-F420 HydrophobicContact CG-CZ 3.78Å; Y352-F420 AromaticContact CD1-CD1 3.59Å; Y352-F420 HydrophobicContact CD1-CD1 3.59Å; Y352-F420 AromaticContact CD1-CE1 4Å; Y352-F420 HydrophobicContact CD1-CE1 4Å; Y352-F420 HydrophobicContact CD2-CB 3.73Å; Y352-F420 AromaticContact CD2-CD1 3.92Å; Y352-F420 HydrophobicContact CD2-CD1 3.92Å; Y352-F420 HydrophobicContact CD2-CG 4.23Å; Y352-F420 HydrophobicContact CE1-CD1 4.08Å; Y352-F420 HydrophobicContact CE2-CB 4.41Å; Y352-F420 HydrophobicContact CE2-CD1 4.37Å; Y352-F420 HydrophobicContact CG-CB 3.97Å; Y352-F420 AromaticContact CG-CD1 3.49Å; Y352-F420 HydrophobicContact CG-CD1 3.49Å; Y352-F420 VanDerWaalsContact CG-CD1 3.49Å; Y352-F420 HydrophobicContact CG-CE1 4.26Å; Y352-F420 AromaticContact CG-CG 3.99Å; Y352-F420 HydrophobicContact CG-CG 3.99Å; D418-F420 PolarHBondContact O-N 3.14Å; F420-P422 HydrophobicContact CD1-CB 4.47Å; F420-P422 HydrophobicContact CE1-CB 4.04Å; F420-P422 WeakPolarHBondContact O-CD 3.26Å
421	D	65.6	Low	59.5	Low	94 Å²	94	84.8 Å²	84.8	50%	0.503	51%	0.506	S	S	.	.			trans	-89.9	113.2	168.7	-168.2	-27.2	0	0	0	109.5	P419 K423	P419-D421 PolarHBondContact O-N 3Å; D421-K423 PolarHBondContact O-N 3.19Å; D421-K423 VanDerWaalsContact O-N 3.14Å; D421-K423 WeakPolarHBondContact OD1-CB 3.4Å; D421-K423 PolarHBondContact OD1-N 3.13Å
422	P	58.5	Low	57.2	Low	69 Å²	69	88.8 Å²	88.8	45%	0.448	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-67.1	-8.8	-179.5	27.4	-34.9	0	0	0	114.5	F420	F420-P422 HydrophobicContact CD1-CB 4.47Å; F420-P422 HydrophobicContact CE1-CB 4.04Å; F420-P422 WeakPolarHBondContact O-CD 3.26Å
423	K	56.2	Low	54.5	Low	159 Å²	159	89.9 Å²	89.9	69%	0.691	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-73.2	-28.5	178.7	-82.5	179.8	171.9	174.1	0	114.8	D421 N425 S426	D421-K423 PolarHBondContact O-N 3.19Å; D421-K423 VanDerWaalsContact O-N 3.14Å; D421-K423 WeakPolarHBondContact OD1-CB 3.4Å; D421-K423 PolarHBondContact OD1-N 3.13Å; K423-N425 PolarHBondContact O-N 3.05Å; K423-S426 PolarHBondContact O-N 2.84Å; K423-S426 PolarHBondContact O-OG 3.09Å
424	D	46.7	Very low	52.1	Low	152 Å²	152	96 Å²	96	81%	0.813	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-67.9	-17.4	-174.2	-86.1	-9	0	0	0	113.2
425	N	44.2	Very low	49.6	Very low	121 Å²	121	96.9 Å²	96.9	65%	0.647	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-94.4	3.6	179.3	-149.7	13.8	0	0	0	114	Q349 K423	Q349-N425 PolarHBondContact OE1-ND2 3.06Å; K423-N425 PolarHBondContact O-N 3.05Å
426	S	43.8	Very low	47.2	Very low	100 Å²	100	101.5 Å²	101.5	70%	0.699	64%	0.643	S	S	*	*	S	Bend	trans	-124.2	54.5	-177.2	64	0	0	0	0	113.4	K423	K423-S426 PolarHBondContact O-N 2.84Å; K423-S426 PolarHBondContact O-OG 3.09Å
427	G	33.8	Very low	44.7	Very low	68 Å²	68	109 Å²	109	70%	0.701	68%	0.676	S	S	*	*			trans	-150.2	19.4	-173.8	0	0	0	0	0	117.2	S429	G427-S429 PolarHBondContact O-N 3.19Å
428	G	32.8	Very low	42.5	Very low	84 Å²	84	112.2 Å²	112.2	87%	0.866	71%	0.712	S	S	*	*			trans	-75.2	56.5	-166.1	0	0	0	0	0	118.6
429	S	31.6	Very low	40.5	Very low	111 Å²	111	114.9 Å²	114.9	78%	0.776	74%	0.74	S	S	*	*			trans	168.9	116.7	152	-82.9	0	0	0	0	111	G427	G427-S429 PolarHBondContact O-N 3.19Å
430	S	30.2	Very low	39.1	Very low	112 Å²	112	116.6 Å²	116.6	78%	0.783	75%	0.75	S	S	*	*				176.1	150.9	74.3	46.8	0	0	0	0	112.9
431	R	31.8	Very low	37.5	Very low	244 Å²	244	119.2 Å²	119.2	92%	0.921	78%	0.775	S	S	*	*			trans	38.3	124.4	158.1	-71.8	-176.1	170.9	162.7	-1.1	121.4
432	A	29.1	Very low	36.8	Very low	108 Å²	108	120.2 Å²	120.2	89%	0.893	79%	0.787	S	S	*	*			trans	-54.1	148.5	164	0	0	0	0	0	115
433	A	29.3	Very low	35.3	Very low	100 Å²	100	121.2 Å²	121.2	83%	0.826	80%	0.796	S	S	*	*			trans	-138.5	134.3	155.1	0	0	0	0	0	109.8
434	M	29.2	Very low	34.4	Very low	195 Å²	195	123.7 Å²	123.7	96%	0.961	80%	0.802	S	S	*	*			trans	-76.8	147.2	159.3	-66.2	-83.3	-166.6	0	0	108
435	G	26.8	Very low	34	Very low	80 Å²	80	123.1 Å²	123.1	83%	0.825	80%	0.799	S	S	*	*			trans	-174.5	117.5	173.8	0	0	0	0	0	113.7
436	A	29.9	Very low	33.8	Very low	97 Å²	97	124.1 Å²	124.1	80%	0.802	80%	0.804	S	S	*	*			trans	-87.6	174.2	172.7	0	0	0	0	0	112
437	E	29.8	Very low	33.8	Very low	200 Å²	200	126.4 Å²	126.4	94%	0.935	81%	0.809	S	S	*	*			trans	-10	142.3	163.2	-50.3	-172.7	134.2	0	0	119.6
438	G	30.6	Very low	34.3	Very low	80 Å²	80	130.2 Å²	130.2	83%	0.825	81%	0.813	S	S	*	*			trans	154.8	121.1	155.6	0	0	0	0	0	116.2
439	A	33.1	Very low	34.8	Very low	98 Å²	98	132 Å²	132	81%	0.81	80%	0.803	S	S	*	*			trans	-93.4	177.4	161.5	0	0	0	0	0	109.3
440	P	42.1	Very low	35.6	Very low	124 Å²	124	131.9 Å²	131.9	81%	0.805	79%	0.793	S	S	*	*			cis	-140.4	-172	11.7	42.7	-22.2	0	0	0	116.9
441	S	32.1	Very low	36	Very low	107 Å²	107	135.6 Å²	135.6	75%	0.748	79%	0.79	S	S	*	*			trans	-74.2	-176.6	170.4	-38.2	0	0	0	0	112.6
442	P	51.5	Low	36.3	Very low	116 Å²	116	131 Å²	131	75%	0.753	78%	0.783	S	S	*	*			cis	-148.5	-160.2	17.6	45.5	-23	0	0	0	118.4
443	S	27	Very low	36.6	Very low	90 Å²	90	134.7 Å²	134.7	63%	0.629	78%	0.782	S	S	*	*			trans	84.5	114.8	151	64.3	0	0	0	0	123.6
444	Y	38.2	Very low	36.7	Very low	210 Å²	210	136.9 Å²	136.9	82%	0.824	78%	0.78	S	S	*	*				39.5	143.2	113.2	-53.2	-58.3	0	0	0	120.2
445	D	36.9	Very low	37.9	Very low	140 Å²	140	132 Å²	132	75%	0.749	76%	0.763	S	S	*	*			cis	-145	-173.4	-8.6	-86.9	-37.1	0	0	0	106.6
446	D	40	Very low	38.1	Very low	142 Å²	142	135.9 Å²	135.9	76%	0.759	76%	0.759	S	S	*	*				178.7	161.5	56.3	-158.2	42.6	0	0	0	110.5
447	D	44.7	Very low	38.4	Very low	148 Å²	148	137.2 Å²	137.2	79%	0.791	75%	0.752	S	S	*	*			trans	-20.9	166.9	168.6	-62.8	-5.5	0	0	0	121.1
448	D	44.5	Very low	38.7	Very low	149 Å²	149	134 Å²	134	80%	0.797	75%	0.746	S	S	*	*			cis	-166.3	-152.7	-32.9	-158.7	12.1	0	0	0	105.6
449	D	43	Very low	38.8	Very low	122 Å²	122	139.2 Å²	139.2	65%	0.652	75%	0.751	S	S	*	*			cis	-159.3	159.4	-1.6	178.2	21.9	0	0	0	108.3
450	D	46.9	Very low	38.4	Very low	107 Å²	107	140.4 Å²	140.4	57%	0.572	75%	0.754	S	S	*	*			trans	50.2	144.4	155.5	-105	-3.4	0	0	0	122.7
451	R	39.5	Very low	38.3	Very low	190 Å²	190	144.2 Å²	144.2	72%	0.717	76%	0.757	S	S	*	*			cis	-169	170	3	-158.8	174	-178.8	94.4	0.6	113.5
452	L	38.9	Very low	38.3	Very low	147 Å²	147	147.4 Å²	147.4	77%	0.77	77%	0.765	S	S	*	*			trans	89	133.6	159.5	-59.1	174.1	0	0	0	116.2
453	E	35.3	Very low	37.2	Very low	186 Å²	186	145.9 Å²	145.9	87%	0.869	76%	0.762	S	S	*	*			cis	-131.2	167.2	3.6	-66.4	-167.5	109.1	0	0	113.7
454	D	31.9	Very low	37.8	Very low	146 Å²	146	145.4 Å²	145.4	78%	0.781	77%	0.772	S	S	*	*			trans	-94.3	-169.4	171.4	-150.9	30.7	0	0	0	108.7
455	P	53.1	Low	37.2	Very low	94 Å²	94	141.3 Å²	141.3	61%	0.61	77%	0.769	S	S	*	*			cis	-140.8	143.9	-0	39.9	-19.8	0	0	0	118.7
456	H	30.4	Very low	36.8	Very low	160 Å²	160	143.8 Å²	143.8	74%	0.741	77%	0.773	S	S	*	*				-173.3	112.5	118.7	-120.8	-119.6	0	0	0	116.2
457	L	37	Very low	36.2	Very low	126 Å²	126	143.1 Å²	143.1	66%	0.66	77%	0.774	S	S	*	*			trans	56.4	108.6	140.9	-61.6	-173.9	0	0	0	122.7
458	V	35.1	Very low	35.1	Very low	131 Å²	131	141.4 Å²	141.4	79%	0.794	76%	0.764	S	S	*	*			trans	88.5	128.5	132.7	-55.9	0	0	0	0	122.8
459	M	33.8	Very low	34.2	Very low	190 Å²	190	144.3 Å²	144.3	94%	0.936	76%	0.764	S	S	*	*			trans	75.5	74.3	168.8	-59.6	-161.5	174.2	0	0	118
460	S	25.3	Very low	34.2	Very low	124 Å²	124	144 Å²	144	87%	0.867	77%	0.769	S	S	*	*			trans	-70.1	161.9	167.5	-50.7	0	0	0	0	114.1
461	K	40.3	Very low	33.9	Very low	204 Å²	204	144.1 Å²	144.1	89%	0.887	78%	0.775	S	S	*	*			trans	-61.9	143.9	171.7	-56.9	168.8	-178.2	170.6	0	111.9
462	L	31.3	Very low	33.4	Very low	173 Å²	173	140.6 Å²	140.6	91%	0.906	78%	0.78	S	S	*	*			trans	-166.3	166.9	152.3	-116.7	174	0	0	0	113.3
463	A	28.7	Very low	33.6	Very low	84 Å²	84	139.5 Å²	139.5	69%	0.694	78%	0.782	S	S	*	*			trans	57.2	104.4	158.4	0	0	0	0	0	119.6
464	G	38.6	Very low	33.3	Very low	81 Å²	81	139 Å²	139	84%	0.835	78%	0.782	S	S	*	*			trans	-114	107.5	141.8	0	0	0	0	0	110.4
465	T	26.8	Very low	33.2	Very low	123 Å²	123	137.9 Å²	137.9	76%	0.755	79%	0.785	S	S	*	*			trans	-157.7	110.3	168	13.1	0	0	0	0	113.4
466	K	27.4	Very low	32.1	Very low	192 Å²	192	141.8 Å²	141.8	84%	0.835	80%	0.797	S	S	*	*				52.9	118.1	117.6	-157.6	-177.1	-169.4	178.1	0	119.3
467	V	27.3	Very low	32.9	Very low	128 Å²	128	139.2 Å²	139.2	78%	0.776	80%	0.795	S	S	*	*				165.7	146.6	126.7	155.8	0	0	0	0	112
468	D	22.9	Very low	33.2	Very low	112 Å²	112	139.3 Å²	139.3	60%	0.599	80%	0.803	S	S	*	*			trans	0.5	152.5	162.5	-75.6	-118.7	0	0	0	122.1
469	R	24.8	Very low	32.8	Very low	211 Å²	211	141.6 Å²	141.6	80%	0.796	81%	0.805	S	S	*	*			cis	-164	167	15	-138.3	158.7	164.1	95.1	-6.1	111.7
470	P	43.7	Very low	32.7	Very low	114 Å²	114	137.5 Å²	137.5	74%	0.74	80%	0.795	S	S	*	*			trans	-79.7	-177.2	172.3	-11.5	31.4	0	0	0	113.5
471	P	40	Very low	32.9	Very low	110 Å²	110	137.5 Å²	137.5	71%	0.714	80%	0.795	S	S	*	*			cis	-146	159	25.5	41.6	-21	0	0	0	121
472	S	29.3	Very low	32.8	Very low	116 Å²	116	135.8 Å²	135.8	81%	0.811	79%	0.794	S	S	*	*			trans	67.4	165.4	146.3	-66.5	0	0	0	0	120.2
473	P	42.9	Very low	33.2	Very low	125 Å²	125	133.3 Å²	133.3	81%	0.812	79%	0.789	S	S	*	*			cis	-122.9	-167.7	1	41.7	-26	0	0	0	115.7
474	M	28.6	Very low	33.9	Very low	176 Å²	176	135.1 Å²	135.1	87%	0.867	79%	0.793	S	S	*	*			trans	-88.4	162.1	-166.5	-40.8	171.9	77.7	0	0	115.1
475	S	30	Very low	33.9	Very low	121 Å²	121	137.8 Å²	137.8	85%	0.846	79%	0.793	S	S	*	*				174.2	156.9	119.2	-77.2	0	0	0	0	115.5
476	M	30.9	Very low	34.3	Very low	177 Å²	177	137.1 Å²	137.1	87%	0.872	79%	0.791	S	S	*	*			trans	-151.9	166.8	171.9	-82.7	-81.3	-78.5	0	0	107.3
477	P	46.1	Very low	35	Very low	106 Å²	106	134.2 Å²	134.2	69%	0.688	79%	0.792	S	S	*	*			cis	-116.3	-155.1	-14.6	43.8	-27.4	0	0	0	110.2
478	P	42.6	Very low	35.2	Very low	127 Å²	127	139.8 Å²	139.8	83%	0.825	80%	0.799	S	S	*	*				-142.4	-153.2	59.2	39.3	-16.3	0	0	0	114.4
479	Q	28.1	Very low	35.5	Very low	180 Å²	180	142.5 Å²	142.5	84%	0.841	81%	0.813	S	S	*	*			trans	-114.3	160	-163.8	-64.9	-172.3	-23.6	0	0	117.1
480	S	31.9	Very low	35.8	Very low	103 Å²	103	139.1 Å²	139.1	72%	0.72	81%	0.81	S	S	*	*			trans	60.9	115.7	140.6	64.5	0	0	0	0	122.4
481	S	28	Very low	35.3	Very low	125 Å²	125	141.3 Å²	141.3	87%	0.874	82%	0.815	S	S	*	*				172.4	159.2	119.7	42	0	0	0	0	112.9
482	L	39.5	Very low	34.9	Very low	167 Å²	167	144 Å²	144	87%	0.874	82%	0.823	S	S	*	*			trans	-92.3	157.7	176.7	-64.4	167.9	0	0	0	111.3
483	P	38.2	Very low	35.4	Very low	122 Å²	122	144.2 Å²	144.2	79%	0.792	82%	0.821	S	S	*	*				-150.1	-155.2	103.5	38.2	-16.4	0	0	0	113.2
484	P	44.4	Very low	34.8	Very low	121 Å²	121	147.8 Å²	147.8	79%	0.786	83%	0.826	S	S	*	*				-129	-173.2	-84.3	42.7	-26.1	0	0	0	115.4
485	V	38.8	Very low	34.9	Very low	138 Å²	138	150.8 Å²	150.8	84%	0.836	83%	0.828	S	S	*	*			trans	-89.3	145.3	-173.2	172.7	0	0	0	0	114.5
486	P	34.9	Very low	35.4	Very low	109 Å²	109	150.4 Å²	150.4	71%	0.708	82%	0.823	S	S	*	*			trans	-94.8	160.2	167.1	36.8	-33.4	0	0	0	114.4
487	P	41.5	Very low	36.1	Very low	131 Å²	131	148 Å²	148	85%	0.851	82%	0.82	S	S	*	*			trans	-99.2	177	-161.9	39.3	-38.2	0	0	0	117.3
488	R	32.7	Very low	35.2	Very low	245 Å²	245	150.3 Å²	150.3	93%	0.925	83%	0.827	S	S	*	*			trans	-60.7	158.9	-179.7	-79.2	-173.9	173.1	175	-1.7	115.5
489	L	29	Very low	35.3	Very low	169 Å²	169	149.5 Å²	149.5	89%	0.885	82%	0.822	S	S	*	*			trans	-113.2	143.4	165.3	-170.7	72.7	0	0	0	109.9
490	D	31.3	Very low	36.1	Very low	140 Å²	140	147 Å²	147	75%	0.749	82%	0.821	S	S	*	*			trans	-147.6	167.1	169.8	-133.8	-39	0	0	0	110.6
491	L	33.6	Very low	35.9	Very low	160 Å²	160	145.9 Å²	145.9	84%	0.838	83%	0.825	S	S	*	*			trans	-73.5	153.1	-157.9	-65.2	166.9	0	0	0	117.1
492	L	31.2	Very low	36.1	Very low	167 Å²	167	144.6 Å²	144.6	87%	0.874	82%	0.822	S	S	*	*			trans	-123	133.7	169.5	-78.4	179.2	0	0	0	113
493	P	39.4	Very low	35.5	Very low	120 Å²	120	142.3 Å²	142.3	78%	0.779	82%	0.821	S	S	*	*			trans	-92.8	158.9	151.6	-8.7	28.1	0	0	0	112.5
494	H	29.1	Very low	35	Very low	200 Å²	200	141.8 Å²	141.8	93%	0.926	82%	0.82	S	S	*	*			trans	-68.3	153	-174.4	-71.5	-85.7	0	0	0	116.1
495	R	31.7	Very low	35.2	Very low	239 Å²	239	142.2 Å²	142.2	90%	0.902	82%	0.823	S	S	*	*			trans	-159.2	141.8	161.6	-155.4	-175.7	-162.2	168.4	8	114.3
496	P	39.6	Very low	34.6	Very low	113 Å²	113	139 Å²	139	73%	0.734	82%	0.818	S	S	*	*			trans	-123.1	174.2	156.6	39.4	-28.7	0	0	0	112.3
497	P	47.1	Very low	34.4	Very low	125 Å²	125	138.2 Å²	138.2	81%	0.812	82%	0.82	S	S	*	*			cis	-126.5	177.2	-44.6	38	-23.2	0	0	0	114.2
498	N	26.6	Very low	33.9	Very low	155 Å²	155	138.2 Å²	138.2	83%	0.829	82%	0.818	S	S	*	*			trans	-37.5	174.7	172.4	-96.8	-4.5	0	0	0	120.4
499	P	45.5	Very low	33.8	Very low	111 Å²	111	131.8 Å²	131.8	72%	0.721	81%	0.81	S	S	*	*			cis	-134.4	-143.2	0.2	30.1	-3.1	0	0	0	113.7
500	P	44	Very low	33.9	Very low	127 Å²	127	133.6 Å²	133.6	83%	0.825	81%	0.811	S	S	*	*				-125	168.8	-85.1	40.1	-24.7	0	0	0	116.1
501	G	28.7	Very low	33.8	Very low	79 Å²	79	131.9 Å²	131.9	81%	0.814	82%	0.816	S	S	*	*			trans	-170.4	127	169.2	0	0	0	0	0	115.9
502	A	30.5	Very low	33.5	Very low	98 Å²	98	129.1 Å²	129.1	81%	0.81	82%	0.817	S	S	*	*			trans	-74.4	167	178.8	0	0	0	0	0	114
503	S	28.6	Very low	33.4	Very low	120 Å²	120	127.5 Å²	127.5	84%	0.839	81%	0.814	S	S	*	*			cis	-168.5	165.1	-14.2	-96.9	0	0	0	0	110.6
504	S	26.7	Very low	33.1	Very low	111 Å²	111	129.7 Å²	129.7	78%	0.776	81%	0.813	S	S	*	*			trans	-76.5	-167.3	167.4	-40.2	0	0	0	0	112
505	P	49	Very low	33.2	Very low	130 Å²	130	127.4 Å²	127.4	84%	0.844	80%	0.803	S	S	*	*			cis	-140.7	-166.5	-6	43.2	-23.9	0	0	0	115.6
506	G	26	Very low	33	Very low	71 Å²	71	123.8 Å²	123.8	73%	0.732	79%	0.794	S	S	*	*				112	65.4	121.5	0	0	0	0	0	123.7
507	A	31.4	Very low	32.5	Very low	92 Å²	92	124.7 Å²	124.7	76%	0.76	79%	0.792	S	S	*	*			trans	38.2	151.1	130.7	0	0	0	0	0	126.4
508	T	30.5	Very low	32	Very low	130 Å²	130	128.3 Å²	128.3	80%	0.798	80%	0.795	S	S	*	*			trans	103.5	151.4	146.4	81.4	0	0	0	0	122.5
509	S	31.2	Very low	33.1	Very low	110 Å²	110	125.9 Å²	125.9	77%	0.769	79%	0.788	S	S	*	*			trans	88.6	93.6	144.2	-58.5	0	0	0	0	123.4
510	K	31	Very low	32.8	Very low	207 Å²	207	128.1 Å²	128.1	90%	0.9	79%	0.793	S	S	*	*			trans	22.7	128.3	139.3	-67.8	-174.3	176.7	-179.5	0	123.4
511	A	28.8	Very low	32.6	Very low	104 Å²	104	128 Å²	128	86%	0.86	79%	0.792	S	S	*	*				82.2	127.5	128.9	0	0	0	0	0	122.5
512	A	25.9	Very low	33	Very low	103 Å²	103	131.6 Å²	131.6	85%	0.851	79%	0.792	S	S	*	*			trans	-161.1	164.8	155.1	0	0	0	0	0	110.1
513	T	29.8	Very low	33.5	Very low	133 Å²	133	132.7 Å²	132.7	82%	0.816	79%	0.791	S	S	*	*			trans	-138.4	134	-177	51.2	0	0	0	0	114.8
514	H	32.5	Very low	34.2	Very low	165 Å²	165	133 Å²	133	76%	0.764	79%	0.79	S	S	*	*			trans	72.9	147.6	149.8	-110.1	-116.8	0	0	0	122.3
515	H	31.6	Very low	34.5	Very low	152 Å²	152	132.4 Å²	132.4	70%	0.704	79%	0.792	S	S	*	*			trans	84.4	97.1	154.4	-74.5	-55.4	0	0	0	124.2
516	K	28.4	Very low	33.7	Very low	163 Å²	163	133.7 Å²	133.7	71%	0.709	79%	0.791	S	S	*	*				100.2	142.8	104.3	-139.6	-175.5	168.9	-71.8	0	121.1
517	D	29.1	Very low	34.1	Very low	132 Å²	132	141.4 Å²	141.4	71%	0.706	80%	0.798	S	S	*	*			trans	78.9	174.8	164	-59	-41.3	0	0	0	120.6
518	K	37.3	Very low	34.2	Very low	202 Å²	202	144.8 Å²	144.8	88%	0.878	80%	0.803	S	S	*	*			trans	-145.2	177.8	-142.7	-115.8	171.9	-179.7	174	0	111.1
519	P	48.7	Very low	34.4	Very low	104 Å²	104	146.6 Å²	146.6	68%	0.675	81%	0.807	S	S	*	*			cis	-139.4	167.8	-4.4	40.9	-23.1	0	0	0	118
520	L	39	Very low	35.4	Very low	157 Å²	157	146.9 Å²	146.9	82%	0.822	81%	0.806	S	S	*	*			trans	51.6	148.8	141.8	-70	177.6	0	0	0	122.2
521	P	40.8	Very low	36.1	Very low	125 Å²	125	142.7 Å²	142.7	81%	0.812	80%	0.8	S	S	*	*			cis	-141.9	-170.6	47.2	40.9	-19.9	0	0	0	118.1
522	L	35.8	Very low	36.9	Very low	155 Å²	155	143.6 Å²	143.6	81%	0.812	80%	0.797	S	S	*	*			trans	-113.2	155.6	179.2	-64	167.4	0	0	0	110.8
523	P	40.9	Very low	37.9	Very low	121 Å²	121	144.2 Å²	144.2	79%	0.786	79%	0.793	S	S	*	*				-156	-163.8	90.7	42.5	-23.4	0	0	0	113.9
524	P	44.3	Very low	38.6	Very low	127 Å²	127	143.5 Å²	143.5	83%	0.825	79%	0.79	S	S	*	*			cis	-116.7	-174.3	-42.5	27.1	-6.4	0	0	0	112.2
525	A	33.3	Very low	39.3	Very low	97 Å²	97	141.9 Å²	141.9	80%	0.802	79%	0.794	S	S	*	*			trans	-116.5	167.1	-171.2	0	0	0	0	0	115.1
526	L	32.8	Very low	39.5	Very low	158 Å²	158	142.5 Å²	142.5	83%	0.827	80%	0.803	S	S	*	*			trans	-157.9	111.3	150.1	-110.1	177.8	0	0	0	114.3
527	R	33.6	Very low	39.7	Very low	232 Å²	232	144.8 Å²	144.8	88%	0.875	81%	0.807	S	S	*	*			trans	50.4	107.4	153.7	-71.7	-178.5	174.5	-160.3	-3.6	121.9
528	D	32.7	Very low	40.2	Very low	164 Å²	164	144 Å²	144	88%	0.877	81%	0.809	S	S	*	*			trans	-91.9	167.3	145.6	-74.6	-64.3	0	0	0	112.3
529	L	35.9	Very low	39.8	Very low	167 Å²	167	143.1 Å²	143.1	87%	0.874	81%	0.808	S	S	*	*			trans	-125.7	144.2	167.6	-74.1	174.1	0	0	0	111
530	P	51.3	Low	38.9	Very low	116 Å²	116	143.5 Å²	143.5	75%	0.753	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-87.5	159.4	-171.3	34.8	-36.8	0	0	0	115
531	P	45.5	Very low	38.3	Very low	119 Å²	119	140 Å²	140	77%	0.773	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-78.7	163.2	176.7	33.3	-36.6	0	0	0	114.1
532	P	45.3	Very low	37.5	Very low	123 Å²	123	138 Å²	138	80%	0.799	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-82.7	157.2	-174.5	33.1	-36.7	0	0	0	115.3
533	P	48	Very low	37	Very low	117 Å²	117	135.8 Å²	135.8	76%	0.76	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-92.1	165.2	-177.7	37.1	-36.9	0	0	0	115.1
534	P	43.5	Very low	36.4	Very low	118 Å²	118	134.6 Å²	134.6	77%	0.766	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-82	164.4	177.2	34.6	-36.9	0	0	0	114.4
535	P	48.3	Very low	36.2	Very low	131 Å²	131	134.3 Å²	134.3	85%	0.851	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-86	149	178.9	34.8	-35.2	0	0	0	113.5
536	D	34.4	Very low	36	Very low	165 Å²	165	134.8 Å²	134.8	88%	0.882	81%	0.812	S	S	*	*			trans	-133.7	165.7	-175.1	-139.6	-32.2	0	0	0	114.5
537	R	33.7	Very low	35.7	Very low	211 Å²	211	132 Å²	132	80%	0.796	81%	0.812	S	S	*	*			trans	-90.8	139.4	-165.8	173.1	-172.1	-84.9	159.5	-8.8	113.6
538	P	40	Very low	35.4	Very low	114 Å²	114	129.9 Å²	129.9	74%	0.74	80%	0.803	S	S	*	*			trans	-89.5	124.2	179.8	33.5	-34	0	0	0	114.7
539	H	28.4	Very low	35.2	Very low	185 Å²	185	130.3 Å²	130.3	86%	0.856	80%	0.8	S	S	*	*			trans	-135	163.1	157.1	-83	-4.5	0	0	0	109.3
540	A	29.1	Very low	35.5	Very low	111 Å²	111	127.9 Å²	127.9	92%	0.917	79%	0.794	S	S	*	*			trans	-121.6	159.1	-145.3	0	0	0	0	0	117.6
541	G	26.2	Very low	34.3	Very low	84 Å²	84	134.6 Å²	134.6	87%	0.866	80%	0.804	S	S	*	*			trans	122.6	132.3	165.4	0	0	0	0	0	113.8
542	G	24.2	Very low	33.4	Very low	83 Å²	83	140.3 Å²	140.3	86%	0.856	81%	0.811	S	S	*	*			cis	167	143.6	-9	0	0	0	0	0	112.5
543	A	25.9	Very low	33.1	Very low	109 Å²	109	139.2 Å²	139.2	90%	0.901	80%	0.804	S	S	*	*			trans	-156	154	173.6	0	0	0	0	0	112.1
544	A	27.8	Very low	32.6	Very low	95 Å²	95	141.2 Å²	141.2	79%	0.785	81%	0.807	S	S	*	*			trans	-156.2	-166.6	-175.1	0	0	0	0	0	108.1
545	P	41	Very low	32.1	Very low	122 Å²	122	141.1 Å²	141.1	79%	0.792	81%	0.806	S	S	*	*			cis	-123.9	-150.4	0.3	35.7	-11.5	0	0	0	110.8
546	E	27.5	Very low	31	Very low	107 Å²	107	140 Å²	140	50%	0.5	80%	0.801	S	S	.	*			cis	-158.7	136.9	4.7	-151.3	-84.8	91.8	0	0	109.3	R548	E546-R548 WeakPolarHBondContact OE1-CG 3.27Å; E546-R548 PolarHBondContact OE1-N 3.34Å; E546-R548 IonicContact OE1-NE 3.98Å; E546-R548 WeakPolarHBondContact OE2-CG 3.41Å; E546-R548 IonicContact OE2-CZ 3.19Å; E546-R548 IonicContact OE2-NE 2.73Å; E546-R548 PolarHBondContact OE2-NE 3.1Å; E546-R548 IonicContact OE2-NH2 2.79Å; E546-R548 PolarHBondContact OE2-NH2 3.33Å
547	A	27	Very low	31	Very low	100 Å²	100	138.4 Å²	138.4	83%	0.826	80%	0.797	S	S	*	*			trans	-162.5	49.6	174.5	0	0	0	0	0	115.4
548	R	27.2	Very low	31.2	Very low	186 Å²	186	134.9 Å²	134.9	70%	0.702	80%	0.801	S	S	*	*			trans	41.4	100	146.2	-54.7	-172.1	-175.1	143.1	18.7	122.2	E546	E546-R548 WeakPolarHBondContact OE1-CG 3.27Å; E546-R548 PolarHBondContact OE1-N 3.34Å; E546-R548 IonicContact OE1-NE 3.98Å; E546-R548 WeakPolarHBondContact OE2-CG 3.41Å; E546-R548 IonicContact OE2-CZ 3.19Å; E546-R548 IonicContact OE2-NE 2.73Å; E546-R548 PolarHBondContact OE2-NE 3.1Å; E546-R548 IonicContact OE2-NH2 2.79Å; E546-R548 PolarHBondContact OE2-NH2 3.33Å
549	H	28.8	Very low	30.5	Very low	174 Å²	174	133.2 Å²	133.2	81%	0.806	81%	0.805	S	S	*	*				66.7	164.6	126.3	-59.1	-52.2	0	0	0	121.6
550	P	42.4	Very low	30.4	Very low	115 Å²	115	132.9 Å²	132.9	75%	0.747	80%	0.804	S	S	*	*			cis	-126	154.7	-5.6	37.7	-23.3	0	0	0	116.2
551	R	26.1	Very low	31.1	Very low	257 Å²	257	132 Å²	132	97%	0.97	79%	0.789	S	S	*	*			trans	-153.3	138.7	151	-81.2	-161.7	-177.9	133	1.3	112.3
552	R	27	Very low	31.2	Very low	240 Å²	240	134.5 Å²	134.5	91%	0.906	78%	0.781	S	S	*	*			trans	-171	169.5	165.8	-120.5	-164.3	169.8	-158.9	-1.8	107.2
553	P	39.3	Very low	31.5	Very low	100 Å²	100	139.5 Å²	139.5	65%	0.649	77%	0.774	S	S	*	*			cis	-130.2	-173.2	-7.9	42.3	-26.3	0	0	0	114.3
554	L	36	Very low	31.5	Very low	158 Å²	158	139.1 Å²	139.1	83%	0.827	76%	0.757	S	S	*	*			trans	-94	152.9	154.8	-67.7	168.8	0	0	0	110.1
555	P	33.2	Very low	31.5	Very low	116 Å²	116	143.6 Å²	143.6	75%	0.753	76%	0.759	S	S	*	*			trans	-116.6	154.9	144.5	35.8	-27.1	0	0	0	110.8
556	C	26.7	Very low	30.7	Very low	109 Å²	109	145.7 Å²	145.7	74%	0.736	76%	0.763	S	S	*	*			cis	127.6	104.1	-2.8	-81.4	0	0	0	0	111.9
557	T	33.7	Very low	32.2	Very low	130 Å²	130	146.3 Å²	146.3	80%	0.798	78%	0.776	S	S	*	*			trans	25.6	148.9	138.3	57.4	0	0	0	0	121.8
558	P	38.2	Very low	33.2	Very low	137 Å²	137	147 Å²	147	89%	0.89	77%	0.772	S	S	*	*				-143.2	154	109.9	38	-25.7	0	0	0	116.3
559	G	23.8	Very low	33.5	Very low	79 Å²	79	144.3 Å²	144.3	81%	0.814	78%	0.776	S	S	*	*			trans	146.1	110.9	166.4	0	0	0	0	0	114.5
560	E	27.7	Very low	34.3	Very low	179 Å²	179	141.7 Å²	141.7	84%	0.836	78%	0.775	S	S	*	*			trans	-153.3	172.7	-177.8	-117.5	-131.7	126.3	0	0	109.9
561	P	44.2	Very low	35.1	Very low	93 Å²	93	141 Å²	141	60%	0.604	77%	0.77	S	S	*	*			cis	-121.3	-140.1	4.5	28.1	-2.9	0	0	0	111.4
562	L	27.9	Very low	35.2	Very low	136 Å²	136	136.7 Å²	136.7	71%	0.712	77%	0.766	S	S	*	*			cis	-163.8	-169.2	7.6	-151.2	56	0	0	0	106
563	R	30.8	Very low	35.4	Very low	188 Å²	188	136.2 Å²	136.2	71%	0.709	77%	0.765	S	S	*	*			cis	-163.8	146.4	9.1	-159.5	-152.4	165	77.8	23.6	112.8
564	D	26.2	Very low	36	Very low	100 Å²	100	136.6 Å²	136.6	54%	0.535	77%	0.767	S	S	.	*			trans	48.9	113	146	-86.5	0.6	0	0	0	124.8
565	K	26.1	Very low	35.6	Very low	189 Å²	189	137.5 Å²	137.5	82%	0.822	77%	0.769	S	S	*	*				128.5	155.7	127.1	-58.5	-118.9	177.1	-177.4	0	118.4
566	L	25.9	Very low	35.4	Very low	167 Å²	167	136.1 Å²	136.1	87%	0.874	77%	0.767	S	S	*	*			trans	-139.1	178.2	-174	-59.5	164.4	0	0	0	108.4
567	P	57.7	Low	35.6	Very low	120 Å²	120	137.4 Å²	137.4	78%	0.779	77%	0.767	S	S	*	*			cis	-116.7	-124.8	-15.8	28.5	-2.4	0	0	0	109.1
568	P	49.3	Very low	35.3	Very low	114 Å²	114	142.5 Å²	142.5	74%	0.74	77%	0.772	S	S	*	*			cis	-133.8	-160.2	-21	43.2	-22.3	0	0	0	115.6
569	T	32	Very low	35.1	Very low	130 Å²	130	142.9 Å²	142.9	80%	0.798	77%	0.766	S	S	*	*			trans	-149.9	-163.2	179.9	62.5	0	0	0	0	110
570	P	47.1	Very low	35.4	Very low	119 Å²	119	145.3 Å²	145.3	77%	0.773	77%	0.77	S	S	*	*			cis	-125.6	-92.3	-10.4	21.6	5.4	0	0	0	120.8
571	P	58.5	Low	35.6	Very low	100 Å²	100	148 Å²	148	65%	0.649	77%	0.773	S	S	*	*			trans	-138.1	173.4	-135.8	44.6	-25.7	0	0	0	120.3
572	N	27.3	Very low	35.6	Very low	166 Å²	166	148.5 Å²	148.5	89%	0.888	78%	0.777	S	S	*	*			trans	179.6	-176.4	135.2	-102	-50.1	0	0	0	117.2
573	R	32.3	Very low	36	Very low	231 Å²	231	148.2 Å²	148.2	87%	0.872	78%	0.78	S	S	*	*			trans	-144	-176.4	-169.2	-121.2	-174.3	-177.7	-169.5	2.8	110
574	P	51.3	Low	36.3	Very low	107 Å²	107	145.3 Å²	145.3	70%	0.695	79%	0.786	S	S	*	*			cis	-140.2	-157.8	-18.2	37.7	-14.3	0	0	0	115.4
575	M	27	Very low	36.6	Very low	178 Å²	178	150.2 Å²	150.2	88%	0.877	80%	0.802	S	S	*	*			trans	81	141.9	170.2	-58.8	-164.6	86.7	0	0	117.3
576	A	29.3	Very low	36.9	Very low	86 Å²	86	145.9 Å²	145.9	71%	0.711	80%	0.801	S	S	*	*			cis	-170.5	172.2	-3.8	0	0	0	0	0	109.3
577	D	31.4	Very low	37.4	Very low	136 Å²	136	143.7 Å²	143.7	73%	0.727	80%	0.798	S	S	*	*			cis	-174.5	-168.9	-27.8	-168.6	9.1	0	0	0	108.8
578	W	27.2	Very low	36	Very low	238 Å²	238	144.3 Å²	144.3	90%	0.902	80%	0.799	S	S	*	*			trans	90.3	152.9	171.9	-66.7	87.2	0	0	0	120.3
579	N	34.8	Very low	36	Very low	145 Å²	145	144.5 Å²	144.5	78%	0.775	80%	0.801	S	S	*	*			trans	-151.3	151	-163.5	-97.8	-64.3	0	0	0	113.3
580	S	29.6	Very low	35.9	Very low	129 Å²	129	142.6 Å²	142.6	90%	0.902	79%	0.793	S	S	*	*			trans	164.7	173.8	136.3	-79	0	0	0	0	117.7
581	R	31.3	Very low	35.1	Very low	235 Å²	235	142.3 Å²	142.3	89%	0.887	79%	0.793	S	S	*	*			trans	-113.9	-167.7	-169.2	-104.6	-178.1	-166.7	-128.9	5.2	112.2
582	P	45.3	Very low	33.6	Very low	105 Å²	105	142.7 Å²	142.7	68%	0.682	80%	0.798	S	S	*	*			cis	-140.9	172.6	-22.7	33	-10.7	0	0	0	118.3
583	V	36.1	Very low	33.7	Very low	129 Å²	129	139.7 Å²	139.7	78%	0.782	79%	0.79	S	S	*	*			trans	31.1	131.8	139.3	-179.2	0	0	0	0	123.7
584	P	36.8	Very low	33.5	Very low	128 Å²	128	133.5 Å²	133.5	83%	0.831	78%	0.783	S	S	*	*				-148.1	-171.4	124.1	37.4	-18.9	0	0	0	117.3
585	K	31.8	Very low	32.6	Very low	202 Å²	202	134.3 Å²	134.3	88%	0.878	79%	0.79	S	S	*	*			trans	-143.7	149.7	-175	-94.4	-173.5	176.2	-179.6	0	114.6
586	A	33.2	Very low	33.3	Very low	98 Å²	98	131.1 Å²	131.1	81%	0.81	78%	0.783	S	S	*	*			trans	65.2	155.4	157.6	0	0	0	0	0	117.2
587	P	35.5	Very low	33.3	Very low	122 Å²	122	131.6 Å²	131.6	79%	0.792	78%	0.781	S	S	*	*				-146.4	-165.5	52	43.5	-22.2	0	0	0	116.6
588	T	29.7	Very low	33.3	Very low	133 Å²	133	130.7 Å²	130.7	82%	0.816	79%	0.785	S	S	*	*			trans	-154	177.1	169.5	57.5	0	0	0	0	108.8
589	P	49.8	Very low	33.5	Very low	118 Å²	118	124.4 Å²	124.4	77%	0.766	78%	0.778	S	S	*	*			cis	-117.9	-130.3	-3.3	30	-4.3	0	0	0	110.5
590	S	28.3	Very low	33.3	Very low	90 Å²	90	122.3 Å²	122.3	63%	0.629	78%	0.775	S	S	*	*			cis	-170.2	156.2	-2	27.7	0	0	0	0	111.5
591	S	29.9	Very low	33.5	Very low	112 Å²	112	121.9 Å²	121.9	78%	0.783	77%	0.767	S	S	*	*			trans	59.6	151.2	165.3	42.3	0	0	0	0	118.1
592	S	28.7	Very low	33.4	Very low	109 Å²	109	119.1 Å²	119.1	76%	0.762	76%	0.764	S	S	*	*			cis	-179.7	151.2	-18	48.3	0	0	0	0	108
593	S	28.9	Very low	32.8	Very low	102 Å²	102	120.1 Å²	120.1	71%	0.713	77%	0.768	S	S	*	*			cis	-171.9	-179.8	-10.2	51.6	0	0	0	0	109.9
594	S	28.4	Very low	33.6	Very low	102 Å²	102	119.3 Å²	119.3	71%	0.713	77%	0.765	S	S	*	*			trans	52.4	114	156.7	56	0	0	0	0	120.9
595	S	31.4	Very low	33.2	Very low	123 Å²	123	117.9 Å²	117.9	86%	0.86	76%	0.758	S	S	*	*				176.9	164.3	129.1	-82	0	0	0	0	112.5
596	P	42.1	Very low	33.2	Very low	111 Å²	111	116.4 Å²	116.4	72%	0.721	76%	0.759	S	S	*	*			trans	-111.3	166.4	-164.8	41.4	-34.3	0	0	0	116.6
597	S	29.4	Very low	32.9	Very low	96 Å²	96	115.8 Å²	115.8	67%	0.671	76%	0.762	S	S	*	*			trans	48.1	122.6	145.1	60.1	0	0	0	0	121.9
598	S	31.4	Very low	32.7	Very low	117 Å²	117	114 Å²	114	82%	0.818	77%	0.765	S	S	*	*			trans	61	140.9	154.2	41.1	0	0	0	0	118
599	S	30.7	Very low	33.1	Very low	107 Å²	107	114.7 Å²	114.7	75%	0.748	76%	0.764	S	S	*	*			cis	-160.3	-170.1	7.1	42.8	0	0	0	0	110.6
600	S	31.1	Very low	32.5	Very low	100 Å²	100	115.3 Å²	115.3	70%	0.699	76%	0.76	S	S	*	*			trans	67.6	100.7	162.1	43.5	0	0	0	0	121
601	T	33.2	Very low	33.1	Very low	121 Å²	121	122.3 Å²	122.3	74%	0.742	77%	0.773	S	S	*	*				66.8	139.3	125.7	-5.6	0	0	0	0	123.8
602	H	29.1	Very low	33.3	Very low	176 Å²	176	122.2 Å²	122.2	82%	0.815	78%	0.779	S	S	*	*			trans	80.8	157.8	160.7	-80.5	-77.8	0	0	0	121.4
603	V	32.6	Very low	33.3	Very low	127 Å²	127	120.4 Å²	120.4	77%	0.77	78%	0.777	S	S	*	*			trans	-137.4	172.5	-163.3	-76.3	0	0	0	0	108.8
604	P	54.1	Low	33.5	Very low	111 Å²	111	121.9 Å²	121.9	72%	0.721	78%	0.782	S	S	*	*			cis	-135.9	-164.9	-32.2	31.8	-9.4	0	0	0	113.4
605	S	28.6	Very low	33.8	Very low	98 Å²	98	127.3 Å²	127.3	69%	0.685	79%	0.786	S	S	*	*			trans	116.5	127.2	139	-67	0	0	0	0	123.6
606	L	31.7	Very low	33.9	Very low	172 Å²	172	127.9 Å²	127.9	90%	0.901	78%	0.776	S	S	*	*			trans	68.6	135.2	140.2	-86.7	76.1	0	0	0	125.4
607	G	26.9	Very low	33.4	Very low	84 Å²	84	129.8 Å²	129.8	87%	0.866	78%	0.779	S	S	*	*			trans	82.9	152.3	159.6	0	0	0	0	0	117.6
608	G	30	Very low	33.3	Very low	84 Å²	84	130.5 Å²	130.5	87%	0.866	78%	0.784	S	S	*	*			cis	116.5	138.2	-10.4	0	0	0	0	0	115.5
609	D	38.3	Very low	33.3	Very low	149 Å²	149	132 Å²	132	80%	0.797	78%	0.783	S	S	*	*			cis	-169.8	179.3	-14.1	-175.9	30.2	0	0	0	110.9
610	L	37.8	Very low	33.3	Very low	130 Å²	130	138.7 Å²	138.7	68%	0.681	79%	0.792	S	S	*	*			trans	95	108.7	155.9	-59.6	172.1	0	0	0	123.9
611	R	39.9	Very low	33.5	Very low	237 Å²	237	142.8 Å²	142.8	89%	0.894	80%	0.799	S	S	*	*				79.1	141.7	125.3	-77.4	-173.2	167.4	-159.5	-2.9	127.4
612	A	34.4	Very low	33.4	Very low	111 Å²	111	142.7 Å²	142.7	92%	0.917	80%	0.804	S	S	*	*			trans	76.4	150.3	151.5	0	0	0	0	0	120.9
613	G	29.1	Very low	33.9	Very low	70 Å²	70	142.4 Å²	142.4	72%	0.722	81%	0.808	S	S	*	*			cis	164.8	164.1	-14.3	0	0	0	0	0	116.1
614	V	33.8	Very low	34.4	Very low	133 Å²	133	142.7 Å²	142.7	81%	0.806	81%	0.812	S	S	*	*			trans	87.8	141.3	150.5	178	0	0	0	0	122.9
615	R	34.2	Very low	33.3	Very low	216 Å²	216	145.6 Å²	145.6	82%	0.815	82%	0.821	S	S	*	*			trans	75.4	162.2	159.4	-85.3	179.7	177.6	143.5	7.7	122.5
616	E	33.1	Very low	33.3	Very low	135 Å²	135	145 Å²	145	63%	0.631	82%	0.822	S	S	*	*			cis	-170.6	148.2	-34.8	-120.9	-172.8	118.1	0	0	112.8
617	L	31.9	Very low	33.5	Very low	151 Å²	151	144.5 Å²	144.5	79%	0.791	82%	0.819	S	S	*	*			trans	58.8	172.6	158.6	-51	174	0	0	0	118.8
618	S	28	Very low	34.2	Very low	112 Å²	112	146 Å²	146	78%	0.783	81%	0.813	S	S	*	*			cis	-154.8	178.9	-0.5	-153.4	0	0	0	0	113.5
619	N	30.8	Very low	34.3	Very low	149 Å²	149	147.3 Å²	147.3	80%	0.797	81%	0.809	S	S	*	*			trans	-77.9	156	178.2	-79.9	-32.8	0	0	0	115.9
620	R	31.1	Very low	34	Very low	247 Å²	247	144.2 Å²	144.2	93%	0.932	81%	0.805	S	S	*	*				-178.8	163.1	125.4	-99.4	159.6	-168	-95.3	0.2	114.9
621	H	34.4	Very low	33.7	Very low	185 Å²	185	145.8 Å²	145.8	86%	0.856	81%	0.813	S	S	*	*			trans	-104.2	171.2	176	-72.8	-93	0	0	0	112.8
622	S	31.9	Very low	33.3	Very low	120 Å²	120	141 Å²	141	84%	0.839	81%	0.805	S	S	*	*			trans	114	141.2	148.9	-58.2	0	0	0	0	118.2
623	L	39.5	Very low	33	Very low	170 Å²	170	141.6 Å²	141.6	89%	0.89	79%	0.793	S	S	*	*			trans	-100.7	159.1	173.5	-66	169.4	0	0	0	111.3
624	P	42.5	Very low	33	Very low	132 Å²	132	149.2 Å²	149.2	86%	0.857	80%	0.8	S	S	*	*			trans	-140.3	-167.7	130.8	35.8	-19.7	0	0	0	113.9
625	L	31.7	Very low	32.8	Very low	173 Å²	173	146.8 Å²	146.8	91%	0.906	79%	0.793	S	S	*	*			trans	-118.5	159.6	-161.6	-75	162.3	0	0	0	116.1
626	A	29.3	Very low	32.5	Very low	86 Å²	86	143.4 Å²	143.4	71%	0.711	79%	0.792	S	S	*	*			trans	84	118.2	142.7	0	0	0	0	0	124.6
627	L	34.4	Very low	32.2	Very low	160 Å²	160	141 Å²	141	84%	0.838	79%	0.79	S	S	*	*			trans	59.4	146.7	132.8	-61.5	177.4	0	0	0	122.1
628	P	42.9	Very low	32	Very low	115 Å²	115	140.7 Å²	140.7	75%	0.747	78%	0.784	S	S	*	*				-126	154.8	75.9	7.4	17.1	0	0	0	114.6
629	S	31.7	Very low	32.1	Very low	112 Å²	112	142.8 Å²	142.8	78%	0.783	78%	0.779	S	S	*	*				73.9	143.9	74.4	-43.1	0	0	0	0	114.6
630	A	31.1	Very low	32	Very low	85 Å²	85	141.9 Å²	141.9	70%	0.702	77%	0.774	S	S	*	*			cis	-160.7	179.7	13.9	0	0	0	0	0	114.3
631	L	32.2	Very low	31.7	Very low	163 Å²	163	136.6 Å²	136.6	85%	0.853	76%	0.764	S	S	*	*			trans	73.1	154.1	161.9	-57.2	169.1	0	0	0	119.9
632	D	30.4	Very low	31.3	Very low	136 Å²	136	133.2 Å²	133.2	73%	0.727	76%	0.762	S	S	*	*			cis	-164.9	170.5	-46	-146.2	-29.8	0	0	0	111.1
633	N	28.2	Very low	31	Very low	123 Å²	123	131.8 Å²	131.8	66%	0.658	75%	0.751	S	S	*	*			trans	86.9	110.7	171.2	-74.3	-66.4	0	0	0	121
634	R	30	Very low	30.5	Very low	231 Å²	231	131.6 Å²	131.6	87%	0.872	75%	0.75	S	S	*	*				42.7	143.8	113.9	-70.2	-178.9	161.3	171.7	-6.1	121.2
635	A	29.1	Very low	29.6	Very low	81 Å²	81	130.7 Å²	130.7	67%	0.669	75%	0.747	S	S	*	*			cis	-167.9	152.7	-14.3	0	0	0	0	0	112.7
636	D	28.2	Very low	29.5	Very low	146 Å²	146	128.9 Å²	128.9	78%	0.781	74%	0.738	S	S	*	*			trans	63.9	123.9	141.7	-97	-67.6	0	0	0	126.2
637	S	27.5	Very low	29.5	Very low	84 Å²	84	130.1 Å²	130.1	59%	0.587	73%	0.732	S	S	*	*				78.3	119.5	126.1	-82.8	0	0	0	0	124.8
638	Q	27.9	Very low	29.3	Very low	144 Å²	144	129.4 Å²	129.4	67%	0.673	73%	0.725	S	S	*	*				89.9	123.5	128.4	-73.9	-173.6	32.4	0	0	123.5
639	K	29.5	Very low	28.6	Very low	157 Å²	157	131 Å²	131	68%	0.683	72%	0.723	S	S	*	*			trans	82.5	127.5	131.7	-74.8	171.4	180	157	0	122.2
640	N	27.9	Very low	28.5	Very low	129 Å²	129	132.2 Å²	132.2	69%	0.69	72%	0.719	S	S	*	*			trans	58.9	124	130.3	-62	16.6	0	0	0	122
641	N	25.3	Very low	28.4	Very low	136 Å²	136	134.6 Å²	134.6	73%	0.727	72%	0.72	S	S	*	*				53.5	135	127.7	-58.7	1.1	0	0	0	121.5
642	S	26.9	Very low	28.2	Very low	115 Å²	115	135.7 Å²	135.7	80%	0.804	72%	0.719	S	S	*	*			trans	72.9	153	143.2	-66.6	0	0	0	0	118
643	S	24.8	Very low	28.2	Very low	89 Å²	89	134.6 Å²	134.6	62%	0.622	72%	0.717	S	S	*	*			cis	-172.5	150.2	-19.8	51.2	0	0	0	0	110.9
644	L	28.3	Very low	28.4	Very low	166 Å²	166	135.4 Å²	135.4	87%	0.869	72%	0.721	S	S	*	*			trans	67.5	157.6	151.6	-69.2	161.9	0	0	0	120
645	S	24.4	Very low	28.3	Very low	113 Å²	113	131.5 Å²	131.5	79%	0.79	72%	0.716	S	S	*	*			trans	80.8	146.4	148.7	-156.6	0	0	0	0	119.2
646	L	29	Very low	28.5	Very low	136 Å²	136	133.5 Å²	133.5	71%	0.712	72%	0.719	S	S	*	*			cis	-169.6	145.1	-37.1	-173.4	62.6	0	0	0	107.3
647	D	29.3	Very low	28.4	Very low	111 Å²	111	131.1 Å²	131.1	59%	0.594	71%	0.714	S	S	*	*			trans	61.7	128.6	158	-82	-30.9	0	0	0	119.5
648	Q	30.5	Very low	28.6	Very low	146 Å²	146	135.6 Å²	135.6	68%	0.682	73%	0.726	S	S	*	*				97.3	137.5	82.8	-160.8	160.8	66.7	0	0	109.9
649	Q	29.3	Very low	28.9	Very low	149 Å²	149	134.9 Å²	134.9	70%	0.696	73%	0.727	S	S	*	*			cis	-167.4	179.3	5.8	-139.6	168.6	16.9	0	0	112.4
650	L	29.2	Very low	28.9	Very low	136 Å²	136	137 Å²	137	71%	0.712	73%	0.732	S	S	*	*			trans	76	110.7	149.9	-68.2	165.5	0	0	0	123.7
651	N	27.9	Very low	28.9	Very low	135 Å²	135	137.6 Å²	137.6	72%	0.722	74%	0.735	S	S	*	*				21	141.2	128.8	-58.8	1.4	0	0	0	124
652	F	28.6	Very low	29.3	Very low	187 Å²	187	136.8 Å²	136.8	82%	0.82	73%	0.73	S	S	*	*				179	134.5	106.6	-105.1	-107.1	0	0	0	106.8
653	V	30.4	Very low	30.2	Very low	113 Å²	113	136.4 Å²	136.4	69%	0.685	73%	0.726	S	S	*	*				75.2	131.2	62	170.9	0	0	0	0	111.4
654	D	32.1	Very low	30.4	Very low	140 Å²	140	140.6 Å²	140.6	75%	0.749	73%	0.733	S	S	*	*			cis	-158	-168.7	25.4	-146.5	-26.8	0	0	0	115.1
655	I	27.4	Very low	30.6	Very low	148 Å²	148	138.1 Å²	138.1	76%	0.759	72%	0.724	S	S	*	*			trans	128.9	91.4	147.3	-62.9	-178.7	0	0	0	117.6
656	V	33.6	Very low	30.8	Very low	123 Å²	123	141.6 Å²	141.6	75%	0.745	73%	0.725	S	S	*	*				53.2	139.4	112.8	167.6	0	0	0	0	120.8
657	S	27.6	Very low	31.8	Very low	97 Å²	97	140.7 Å²	140.7	68%	0.678	73%	0.727	S	S	*	*			cis	-172.6	-178.6	-7.5	-97.6	0	0	0	0	114
658	Q	31	Very low	31.6	Very low	177 Å²	177	141.6 Å²	141.6	83%	0.827	74%	0.742	S	S	*	*			trans	89	138	159.6	-67	-164.8	-34	0	0	120.5
659	D	33.6	Very low	31.8	Very low	129 Å²	129	139 Å²	139	69%	0.69	75%	0.746	S	S	*	*			cis	-165.5	176.5	-31.7	-131.5	-49.9	0	0	0	113.5
660	Y	30.5	Very low	31.8	Very low	202 Å²	202	137.2 Å²	137.2	79%	0.792	75%	0.75	S	S	*	*			trans	89.2	110.1	164.6	-85.6	-76.8	0	0	0	123
661	D	26.8	Very low	31.9	Very low	141 Å²	141	134.8 Å²	134.8	75%	0.754	75%	0.749	S	S	*	*			trans	76.8	125.6	144.4	-109.5	-49.1	0	0	0	124.2
662	N	34.2	Very low	32	Very low	119 Å²	119	136.1 Å²	136.1	64%	0.636	76%	0.756	S	S	*	*			trans	-179.8	128	177	153.7	67.8	0	0	0	109.6
663	P	46.8	Very low	32	Very low	108 Å²	108	132.1 Å²	132.1	70%	0.701	76%	0.757	S	S	*	*				-144.2	157.1	125.9	36.2	-22.3	0	0	0	113.6
664	K	29	Very low	32	Very low	177 Å²	177	133.8 Å²	133.8	77%	0.77	76%	0.761	S	S	*	*			cis	-152.9	127.9	-12.2	-118.7	172.1	179.7	174.7	0	109.1
665	V	30.7	Very low	31.8	Very low	113 Å²	113	137.5 Å²	137.5	69%	0.685	77%	0.766	S	S	*	*				53.7	142.5	119.4	171.3	0	0	0	0	120.3
666	K	28.7	Very low	31.8	Very low	187 Å²	187	135.4 Å²	135.4	81%	0.813	76%	0.764	S	S	*	*			cis	176.1	164	-42	-106.9	-176.5	176.1	179.5	0	107.8
667	P	51	Low	31.4	Very low	117 Å²	117	137.5 Å²	137.5	76%	0.76	77%	0.771	S	S	*	*			trans	-96.2	-179.3	-174.8	40.1	-37	0	0	0	113.5
668	S	25.7	Very low	31.3	Very low	129 Å²	129	137.8 Å²	137.8	90%	0.902	78%	0.779	S	S	*	*			trans	-132.6	161.8	162.2	-73.5	0	0	0	0	111
669	A	33.4	Very low	31	Very low	92 Å²	92	137.2 Å²	137.2	76%	0.76	78%	0.781	S	S	*	*			trans	-146.9	-179.1	-174.6	0	0	0	0	0	112.6
670	S	30.5	Very low	30.7	Very low	112 Å²	112	141.9 Å²	141.9	78%	0.783	79%	0.789	S	S	*	*			trans	62.5	98.2	164.7	54.2	0	0	0	0	120.6
671	A	29.9	Very low	30.4	Very low	85 Å²	85	137.9 Å²	137.9	70%	0.702	79%	0.791	S	S	*	*				65.9	131.7	111.2	0	0	0	0	0	123.9
672	N	30.4	Very low	30.3	Very low	163 Å²	163	135.6 Å²	135.6	87%	0.872	79%	0.786	S	S	*	*			trans	72.6	114.1	145	-60.2	-3.6	0	0	0	122
673	A	29.1	Very low	29.9	Very low	102 Å²	102	139.5 Å²	139.5	84%	0.843	80%	0.8	S	S	*	*			trans	-161.6	171.2	147.8	0	0	0	0	0	110.8
674	I	31	Very low	28.9	Very low	148 Å²	148	137.7 Å²	137.7	76%	0.759	80%	0.801	S	S	*	*			trans	-143.6	150.7	-164.4	-68.3	174.7	0	0	0	112.6
675	Y	28	Very low	28.8	Very low	219 Å²	219	136.8 Å²	136.8	86%	0.859	80%	0.804	S	S	*	*			trans	65.6	157.1	174.6	-70.6	-54.3	0	0	0	116.3
676	S	25.5	Very low	28.5	Very low	103 Å²	103	141.5 Å²	141.5	72%	0.72	81%	0.809	S	S	*	*			cis	-144.7	152.3	19.6	-66.4	0	0	0	0	115.7
677	L	26.6	Very low	28.3	Very low	168 Å²	168	140.7 Å²	140.7	88%	0.88	81%	0.808	S	S	*	*			trans	29	116.7	140.3	-57.9	172.4	0	0	0	123
678	A	24.7	Very low	27.5	Very low	102 Å²	102	141.3 Å²	141.3	84%	0.843	81%	0.81	S	S	*	*			trans	175.3	149.1	133.7	0	0	0	0	0	108.8
679	N	25.9	Very low	28.1	Very low	165 Å²	165	141.1 Å²	141.1	88%	0.882	81%	0.805	S	S	*	*			cis	-146	165.7	-2.2	-146.4	-0.9	0	0	0	110.1
680	R	27.3	Very low	27.7	Very low	228 Å²	228	139.7 Å²	139.7	86%	0.86	80%	0.799	S	S	*	*			trans	-87.2	146.8	173.1	-88	-171.3	175.8	-165.6	1.3	112.4
681	S	22.7	Very low	27.6	Very low	118 Å²	118	143.6 Å²	143.6	83%	0.825	81%	0.805	S	S	*	*				-148.9	160	129.5	68.6	0	0	0	0	109.8
682	S	25.1	Very low	27.4	Very low	93 Å²	93	148.8 Å²	148.8	65%	0.65	82%	0.815	S	S	*	*			trans	-162.6	163.7	-174.5	-60.6	0	0	0	0	110.6
683	Q	27	Very low	27.2	Very low	201 Å²	201	145 Å²	145	94%	0.939	81%	0.806	S	S	*	*			trans	71.4	152.4	172.8	-52.3	171	-21.8	0	0	115.5
684	G	25.3	Very low	26.9	Very low	69 Å²	69	145.7 Å²	145.7	71%	0.711	80%	0.804	S	S	*	*			cis	156.1	158.3	-16.6	0	0	0	0	0	116.4
685	L	26.5	Very low	26.6	Very low	158 Å²	158	145.3 Å²	145.3	83%	0.827	80%	0.803	S	S	*	*			trans	74	142.7	154	-99.5	68.5	0	0	0	123.4
686	R	23.3	Very low	26.5	Very low	213 Å²	213	139.8 Å²	139.8	80%	0.804	80%	0.796	S	S	*	*			trans	79	100.1	144	-78.5	-179.3	169.8	173.3	-3.3	123.8
687	Q	24.6	Very low	26.7	Very low	170 Å²	170	143.6 Å²	143.6	79%	0.794	80%	0.803	S	S	*	*				31.1	130	109.4	-74.1	-179.5	-47.2	0	0	123.3
688	V	35	Very low	27.1	Very low	130 Å²	130	144.2 Å²	144.2	79%	0.788	80%	0.801	S	S	*	*				77.3	144	128.6	167.9	0	0	0	0	117.6
689	P	39.3	Very low	27.6	Very low	124 Å²	124	146 Å²	146	81%	0.805	80%	0.796	S	S	*	*			cis	-141	-171.3	26.8	41.6	-20.6	0	0	0	119.6
690	G	24.9	Very low	27.9	Very low	62 Å²	62	142.8 Å²	142.8	64%	0.639	79%	0.787	S	S	*	*			trans	95.6	125.9	161.3	0	0	0	0	0	116.2
691	E	27.4	Very low	28.3	Very low	195 Å²	195	140.6 Å²	140.6	91%	0.911	79%	0.787	S	S	*	*			cis	75.9	132.4	42.8	-61.6	-178	137.6	0	0	113.6
692	E	26.1	Very low	28.7	Very low	194 Å²	194	144.2 Å²	144.2	91%	0.907	78%	0.784	S	S	*	*			cis	-122.4	-146.6	4.8	-61.3	177.2	76.6	0	0	110.8
693	A	25.7	Very low	28.8	Very low	83 Å²	83	147.3 Å²	147.3	69%	0.686	79%	0.79	S	S	*	*			cis	-164	167.8	-2.2	0	0	0	0	0	111.5
694	C	23.7	Very low	29	Very low	116 Å²	116	145.6 Å²	145.6	78%	0.784	79%	0.786	S	S	*	*			trans	61.9	150.7	161.9	-79.7	0	0	0	0	120.2
695	D	23.8	Very low	30.1	Very low	141 Å²	141	148.1 Å²	148.1	75%	0.754	79%	0.789	S	S	*	*			cis	-152.1	-177.1	-4.9	-136.7	-45	0	0	0	113.3
696	S	27.2	Very low	30.3	Very low	102 Å²	102	146 Å²	146	71%	0.713	79%	0.788	S	S	*	*			trans	-79.7	-178.1	-179.4	-49.7	0	0	0	0	113.8
697	E	28.6	Very low	30.7	Very low	184 Å²	184	141.7 Å²	141.7	86%	0.86	79%	0.79	S	S	*	*			cis	-152.7	174	45.2	-61.9	162.5	147.9	0	0	109.6
698	E	35.1	Very low	31.1	Very low	180 Å²	180	145.2 Å²	145.2	84%	0.841	80%	0.796	S	S	*	*			cis	-170.2	159.3	-25.1	-100.9	-165.1	-13.2	0	0	106
699	D	34.5	Very low	32.3	Very low	139 Å²	139	144.4 Å²	144.4	74%	0.743	79%	0.794	S	S	*	*			cis	-132.8	-89.6	-21.8	170.7	46.3	0	0	0	110.4
700	S	32.8	Very low	31.9	Very low	99 Å²	99	146.8 Å²	146.8	69%	0.692	80%	0.798	S	S	*	*			cis	-153.4	131.6	-2.4	-60.6	0	0	0	0	112.7
701	E	35.3	Very low	32.1	Very low	181 Å²	181	147.8 Å²	147.8	85%	0.846	80%	0.8	S	S	*	*			trans	31.1	133.1	149.4	-148.8	176.1	-142.5	0	0	121.9
702	Y	32.3	Very low	32.1	Very low	195 Å²	195	145.2 Å²	145.2	77%	0.765	80%	0.797	S	S	*	*			cis	-173	171.2	-21.1	-162	-86.4	0	0	0	110.3
703	M	27.2	Very low	33.4	Very low	157 Å²	157	141.5 Å²	141.5	77%	0.773	79%	0.79	S	S	*	*			trans	97.8	122.8	164.7	-65.6	-62	164.8	0	0	119.6
704	I	31.1	Very low	33.8	Very low	166 Å²	166	142.7 Å²	142.7	85%	0.851	79%	0.793	S	S	*	*			trans	-146.8	130.6	168.2	-53.8	179.5	0	0	0	111.3
705	P	48.6	Very low	34.5	Very low	122 Å²	122	143.4 Å²	143.4	79%	0.792	79%	0.794	S	S	*	*			trans	-114.7	172.5	171.9	32.6	-17.7	0	0	0	115.2
706	S	30.6	Very low	35.8	Very low	113 Å²	113	141.8 Å²	141.8	79%	0.79	79%	0.791	S	S	*	*			trans	-137.1	155.7	-173.7	-60.9	0	0	0	0	114.1
707	S	31.1	Very low	36.1	Very low	123 Å²	123	143.2 Å²	143.2	86%	0.86	79%	0.791	S	S	*	*			trans	160	168.5	131.5	-73.5	0	0	0	0	116.5
708	R	32.6	Very low	36.2	Very low	243 Å²	243	140.5 Å²	140.5	92%	0.917	79%	0.787	S	S	*	*			trans	-127.2	-151.8	179.7	-46.4	174.6	172.2	-176.2	-3.3	110.1
709	P	60.4	Low	35.9	Very low	113 Å²	113	138.1 Å²	138.1	73%	0.734	78%	0.779	S	S	*	*			cis	-133.5	-177.9	-31.5	38.9	-21.6	0	0	0	114.5
710	I	30.5	Very low	35.8	Very low	175 Å²	175	139.3 Å²	139.3	90%	0.897	78%	0.78	S	S	*	*			trans	164.9	153.4	155.1	-96.5	160.4	0	0	0	110.4
711	A	30.1	Very low	35.8	Very low	83 Å²	83	139.9 Å²	139.9	69%	0.686	78%	0.779	S	S	*	*			cis	-156.6	-120.3	-25.8	0	0	0	0	0	113
712	V	27	Very low	35.3	Very low	140 Å²	140	139.3 Å²	139.3	85%	0.848	78%	0.777	S	S	*	*			trans	-158.5	173.7	-163	-102.5	0	0	0	0	112.2
713	P	53.5	Low	35.2	Very low	117 Å²	117	140.8 Å²	140.8	76%	0.76	78%	0.781	S	S	*	*			cis	-129.2	-154.2	21.9	43.8	-23.2	0	0	0	113.7
714	S	33.5	Very low	36.7	Very low	107 Å²	107	138.5 Å²	138.5	75%	0.748	78%	0.778	S	S	*	*			cis	-154.3	-152.8	12.8	30.1	0	0	0	0	113.1
715	V	37.8	Very low	37.1	Very low	132 Å²	132	136.1 Å²	136.1	80%	0.8	77%	0.773	S	S	*	*			trans	-146.9	179.9	-162	-61.8	0	0	0	0	110.6
716	P	52.1	Low	36.6	Very low	107 Å²	107	139.4 Å²	139.4	70%	0.695	78%	0.777	S	S	*	*			cis	-140.7	162.9	6.3	42.1	-23	0	0	0	119.9
717	D	34.3	Very low	36.9	Very low	132 Å²	132	139.7 Å²	139.7	71%	0.706	78%	0.777	S	S	*	*			trans	15.5	133.9	151.4	-57.6	-59.4	0	0	0	121.4
718	T	30.4	Very low	36.8	Very low	126 Å²	126	141.5 Å²	141.5	77%	0.773	78%	0.776	S	S	*	*				-157.8	167.3	60.6	46	0	0	0	0	112.3
719	L	29	Very low	36.5	Very low	130 Å²	130	136.4 Å²	136.4	68%	0.681	77%	0.772	S	S	*	*			cis	-166.6	155.3	-24.9	-89.5	169.9	0	0	0	105.1
720	Q	32.2	Very low	35	Very low	165 Å²	165	140.4 Å²	140.4	77%	0.771	78%	0.781	S	S	*	*			cis	-145.8	-79.4	0.1	-146.4	176.6	13.6	0	0	116.8
721	V	32.1	Very low	34.8	Very low	111 Å²	111	137.8 Å²	137.8	67%	0.673	77%	0.773	S	S	*	*			trans	-160.1	162.6	-142.4	90.5	0	0	0	0	112.4
722	Q	24.4	Very low	34.7	Very low	169 Å²	169	143.2 Å²	143.2	79%	0.79	78%	0.784	S	S	*	*			cis	-139.4	175	3.8	-163.7	157.3	-20.6	0	0	111.7
723	R	31.5	Very low	34.5	Very low	225 Å²	225	140.8 Å²	140.8	85%	0.849	78%	0.779	S	S	*	*			trans	-148	-173	171.4	-138.6	-164.7	-163.3	-176.9	8.6	111.5
724	P	57.3	Low	33.9	Very low	109 Å²	109	140.9 Å²	140.9	71%	0.708	78%	0.78	S	S	*	*			trans	-87.3	-171.9	-131	44	-30.9	0	0	0	114.3
725	P	39.7	Very low	33.5	Very low	116 Å²	116	139.9 Å²	139.9	75%	0.753	78%	0.778	S	S	*	*				-153.8	176.2	97.7	41.1	-23.7	0	0	0	117.1
726	H	37.8	Very low	32.9	Very low	191 Å²	191	139.7 Å²	139.7	88%	0.884	78%	0.777	S	S	*	*			trans	-110.1	146.6	148.1	-84	-70.5	0	0	0	108.4
727	P	37.8	Very low	31.6	Very low	120 Å²	120	142.1 Å²	142.1	78%	0.779	78%	0.784	S	S	*	*				-146.8	-169.5	120.6	38.3	-21.9	0	0	0	114
728	L	29.3	Very low	31.2	Very low	160 Å²	160	140.8 Å²	140.8	84%	0.838	79%	0.785	S	S	*	*			trans	-115.2	175.7	-175.7	-76.8	167	0	0	0	113.5
729	T	26.8	Very low	31.1	Very low	137 Å²	137	146 Å²	146	84%	0.84	79%	0.79	S	S	*	*			trans	79	121.3	160.4	66.2	0	0	0	0	120.2
730	Q	28	Very low	31.1	Very low	196 Å²	196	147.1 Å²	147.1	92%	0.916	80%	0.796	S	S	*	*			trans	-152.2	163.7	138.7	-146.1	173.6	36.6	0	0	109.7
731	T	26.9	Very low	31	Very low	120 Å²	120	145 Å²	145	74%	0.736	80%	0.795	S	S	*	*			trans	-133.2	132.4	-159.6	-44.4	0	0	0	0	112.4
732	Q	26.3	Very low	30.9	Very low	197 Å²	197	148 Å²	148	92%	0.921	81%	0.806	S	S	*	*			trans	-170.8	158.2	152.8	-112.2	147.5	99.2	0	0	114.4
733	A	24.6	Very low	31	Very low	89 Å²	89	143 Å²	143	74%	0.736	80%	0.801	S	S	*	*			trans	-104.9	-163	169.5	0	0	0	0	0	108.4
734	P	40.5	Very low	30.9	Very low	120 Å²	120	136.9 Å²	136.9	78%	0.779	80%	0.798	S	S	*	*			cis	-142.7	-155.5	9.4	45.2	-23.8	0	0	0	115.2
735	A	24.1	Very low	29.7	Very low	86 Å²	86	140 Å²	140	71%	0.711	80%	0.803	S	S	*	*			trans	71.8	120.5	166.1	0	0	0	0	0	117.3
736	V	25.1	Very low	29.2	Very low	128 Å²	128	140.6 Å²	140.6	78%	0.776	80%	0.804	S	S	*	*			cis	79.6	102.2	46.2	178.7	0	0	0	0	113.3
737	N	25.2	Very low	28.8	Very low	157 Å²	157	134.4 Å²	134.4	84%	0.84	79%	0.792	S	S	*	*				-168.6	163.4	94.8	-129.9	-31.7	0	0	0	114.4
738	S	26.5	Very low	28.3	Very low	105 Å²	105	136 Å²	136	73%	0.734	79%	0.793	S	S	*	*			trans	-115.2	145.3	-179.7	-52.9	0	0	0	0	112.5
739	R	28.1	Very low	28.3	Very low	235 Å²	235	135.1 Å²	135.1	89%	0.887	79%	0.788	S	S	*	*			trans	169.5	162.7	150.7	-102.1	174.4	174.4	-153.3	-4	111.2
740	L	29.5	Very low	28.3	Very low	153 Å²	153	133 Å²	133	80%	0.801	78%	0.779	S	S	*	*			cis	-111.9	-127.5	4.5	-68.1	81.2	0	0	0	112.6
741	T	29.2	Very low	28.2	Very low	120 Å²	120	132.9 Å²	132.9	74%	0.736	77%	0.771	S	S	*	*			trans	-161.2	179.3	-161.3	47.1	0	0	0	0	111.9
742	L	31.5	Very low	28.1	Very low	174 Å²	174	135.5 Å²	135.5	91%	0.911	78%	0.775	S	S	*	*			trans	83.6	139.6	169.9	-62.8	133.9	0	0	0	117
743	G	26.1	Very low	28.1	Very low	66 Å²	66	129.9 Å²	129.9	68%	0.68	76%	0.762	S	S	*	*			cis	-160.3	148.7	-5.9	0	0	0	0	0	110.6
744	A	29	Very low	28.2	Very low	95 Å²	95	133.4 Å²	133.4	79%	0.785	77%	0.766	S	S	*	*				108.5	147	89.1	0	0	0	0	0	110.2
745	E	31.3	Very low	27.5	Very low	174 Å²	174	137.8 Å²	137.8	81%	0.813	77%	0.768	S	S	*	*			cis	-161.4	159.8	-11.1	-122.6	-178.1	-170.6	0	0	111.7
746	V	30.2	Very low	27.6	Very low	129 Å²	129	138 Å²	138	78%	0.782	77%	0.765	S	S	*	*			trans	53.1	133.1	155.9	-177.6	0	0	0	0	120.4
747	G	29.4	Very low	27.4	Very low	62 Å²	62	138 Å²	138	64%	0.639	76%	0.764	S	S	*	*			cis	153.6	177.3	-8.1	0	0	0	0	0	114.6
748	L	27.3	Very low	27.4	Very low	153 Å²	153	138.8 Å²	138.8	80%	0.801	76%	0.763	S	S	*	*			trans	73	141.6	153.1	-84.3	71.9	0	0	0	119.5
749	I	28.8	Very low	28.2	Very low	141 Å²	141	138.6 Å²	138.6	72%	0.723	76%	0.759	S	S	*	*			cis	-155.5	163.3	-15	-8.7	158.1	0	0	0	112
750	S	26.7	Very low	27.9	Very low	92 Å²	92	138.6 Å²	138.6	64%	0.643	76%	0.759	S	S	*	*			trans	71.5	149.8	137.5	73.7	0	0	0	0	120.7
751	Y	25.6	Very low	27.5	Very low	195 Å²	195	135.4 Å²	135.4	77%	0.765	75%	0.75	S	S	*	*			cis	-156.4	158.8	-4.8	48.8	-89.7	0	0	0	113.1
752	E	25.8	Very low	27.3	Very low	175 Å²	175	137.9 Å²	137.9	82%	0.818	75%	0.753	S	S	*	*			trans	27.8	154.7	134.5	-63.9	179.8	114.8	0	0	123.3
753	A	25.6	Very low	27.1	Very low	78 Å²	78	138.4 Å²	138.4	65%	0.645	75%	0.751	S	S	*	*			cis	-173.9	173.1	-14.6	0	0	0	0	0	111
754	M	26.3	Very low	27	Very low	164 Å²	164	139.1 Å²	139.1	81%	0.808	75%	0.75	S	S	*	*			trans	136.9	133	135.8	-71.6	-151.4	-70.8	0	0	116
755	Y	27.2	Very low	27	Very low	211 Å²	211	145 Å²	145	83%	0.827	75%	0.752	S	S	*	*			trans	22.2	153	137.3	-66.3	-99.1	0	0	0	121.3
756	S	24.7	Very low	26.7	Very low	92 Å²	92	142.3 Å²	142.3	64%	0.643	74%	0.743	S	S	*	*			cis	179.7	151.4	-21.9	-98.9	0	0	0	0	108.4
757	V	22.3	Very low	26.7	Very low	126 Å²	126	141.1 Å²	141.1	76%	0.764	74%	0.741	S	S	*	*			trans	30.4	123.4	136.7	-168	0	0	0	0	120.2
758	Q	24.2	Very low	26.6	Very low	175 Å²	175	144.5 Å²	144.5	82%	0.818	74%	0.744	S	S	*	*				9.3	171.8	127.4	-86.3	-179.5	-4.7	0	0	121.6
759	P	43.5	Very low	26.8	Very low	101 Å²	101	145.7 Å²	145.7	66%	0.656	74%	0.739	S	S	*	*			cis	-135.3	-150.2	-21.3	35.4	-13.1	0	0	0	111.5
760	R	21	Very low	26.9	Very low	234 Å²	234	143 Å²	143	88%	0.883	73%	0.733	S	S	*	*			trans	66.6	172	163.9	-80.9	-178.4	172.5	162.8	-3.7	115.9
761	S	22.4	Very low	26.9	Very low	86 Å²	86	145.8 Å²	145.8	60%	0.601	74%	0.736	S	S	*	*			cis	-171.5	140.5	-40.1	56.9	0	0	0	0	111.8
762	Q	25	Very low	27.1	Very low	172 Å²	172	144.2 Å²	144.2	80%	0.804	74%	0.74	S	S	*	*			trans	57.4	151.4	151.3	-68	-176.7	-19.9	0	0	121.7
763	Q	26.7	Very low	28.5	Very low	185 Å²	185	141.5 Å²	141.5	86%	0.864	74%	0.738	S	S	*	*			trans	69.8	152.5	163.3	-66.2	172.8	12.5	0	0	118.5
764	A	24.3	Very low	29.4	Very low	82 Å²	82	143 Å²	143	68%	0.678	74%	0.741	S	S	*	*			cis	-170.6	158.4	-26.9	0	0	0	0	0	111.8
765	R	27.7	Very low	29.6	Very low	219 Å²	219	143 Å²	143	83%	0.826	74%	0.743	S	S	*	*			trans	67.5	155	163	-56.9	-170.3	103.2	154.6	6	117.9
766	D	25.4	Very low	30.9	Very low	116 Å²	116	138.1 Å²	138.1	62%	0.62	74%	0.737	S	S	*	*			cis	-159.4	170.1	-19.5	-101.7	-8.7	0	0	0	108.9
767	S	30.4	Very low	31	Very low	105 Å²	105	139.8 Å²	139.8	73%	0.734	74%	0.743	S	S	*	*			trans	69.2	138.2	170.2	-74.5	0	0	0	0	118.7
768	D	27.6	Very low	31.1	Very low	133 Å²	133	139.4 Å²	139.4	71%	0.711	74%	0.741	S	S	*	*			cis	-153.5	158.7	-7.4	-125.1	-47.9	0	0	0	115.9
769	Y	32.1	Very low	31.4	Very low	177 Å²	177	138.4 Å²	138.4	69%	0.694	74%	0.742	S	S	*	*			trans	12	113.3	164.7	-114.6	-114.1	0	0	0	119.8	E771	Y769-E771 WeakPolarHBondContact CE1-OE2 3.3Å; Y769-E771 PolarHBondContact OH-OE2 3.03Å; Y769-E771 VanDerWaalsContact OH-OE2 3.07Å
770	S	30.8	Very low	30.6	Very low	84 Å²	84	137.3 Å²	137.3	59%	0.587	75%	0.749	S	S	*	*				96	156	70.5	-75.5	0	0	0	0	113.3
771	E	26.7	Very low	31.9	Very low	152 Å²	152	131.9 Å²	131.9	71%	0.71	74%	0.744	S	S	*	*			cis	-149.3	170.4	-0.6	-125.3	164.8	119.9	0	0	110.8	Y769	Y769-E771 WeakPolarHBondContact CE1-OE2 3.3Å; Y769-E771 PolarHBondContact OH-OE2 3.03Å; Y769-E771 VanDerWaalsContact OH-OE2 3.07Å
772	L	28.7	Very low	32.3	Very low	161 Å²	161	136.9 Å²	136.9	84%	0.843	75%	0.75	S	S	*	*			trans	-109.5	-179.5	178.1	-68.9	171.1	0	0	0	110.8
773	P	55.1	Low	32.4	Very low	119 Å²	119	134.5 Å²	134.5	77%	0.773	74%	0.743	S	S	*	*			cis	-106.5	-89.7	-12.4	21.3	1.3	0	0	0	112.9
774	P	44.4	Very low	32.6	Very low	110 Å²	110	134.1 Å²	134.1	71%	0.714	74%	0.74	S	S	*	*			cis	-118.2	-155.7	-11.6	43.3	-27.5	0	0	0	114
775	L	31.6	Very low	32.9	Very low	163 Å²	163	133.8 Å²	133.8	85%	0.853	74%	0.737	S	S	*	*			trans	-142.8	176.4	171.1	-64.1	174	0	0	0	107.5
776	P	53.9	Low	33.1	Very low	108 Å²	108	127.5 Å²	127.5	70%	0.701	73%	0.732	S	S	*	*			cis	-133	-155.8	-34.4	32.2	-9.9	0	0	0	112.9
777	V	26.7	Very low	33.4	Very low	128 Å²	128	129.2 Å²	129.2	78%	0.776	74%	0.737	S	S	*	*			trans	78.9	133	151.8	-70	0	0	0	0	125.6
778	T	25.8	Very low	33.5	Very low	117 Å²	117	129.8 Å²	129.8	72%	0.718	73%	0.732	S	S	*	*			trans	66.5	120	157.7	118.4	0	0	0	0	125
779	N	28.8	Very low	33.9	Very low	154 Å²	154	131.6 Å²	131.6	82%	0.824	73%	0.729	S	S	*	*				51.2	89.6	122.4	-58	-4.6	0	0	0	124.1
780	G	28.2	Very low	33.9	Very low	79 Å²	79	129.6 Å²	129.6	81%	0.814	73%	0.726	S	S	*	*			trans	59.3	-163.5	142.1	0	0	0	0	0	118.8
781	P	47.5	Very low	34.1	Very low	120 Å²	120	133.7 Å²	133.7	78%	0.779	74%	0.735	S	S	*	*			cis	-128	-172.3	-15	42.2	-27.5	0	0	0	113.8
782	R	31.4	Very low	34.5	Very low	191 Å²	191	134.5 Å²	134.5	72%	0.721	74%	0.739	S	S	*	*			trans	70.5	162.1	165.2	-95.1	-179	149	131.9	6.8	116.6	H784	R782-H784 PolarHBondContact NH2-NE2 2.98Å
783	D	27.4	Very low	34.7	Very low	122 Å²	122	134 Å²	134	65%	0.652	74%	0.737	S	S	*	*			cis	-139.2	173	17.2	-112.4	-37.1	0	0	0	115.9
784	H	30.1	Very low	33.5	Very low	176 Å²	176	134.7 Å²	134.7	82%	0.815	73%	0.734	S	S	*	*			trans	-36.7	164.2	172.8	-62.6	-74.6	0	0	0	119.7	R782	R782-H784 PolarHBondContact NH2-NE2 2.98Å
785	A	30.9	Very low	32.8	Very low	75 Å²	75	133.1 Å²	133.1	62%	0.62	74%	0.738	S	S	*	*			cis	-128.2	-126.2	-2	0	0	0	0	0	109.3	E787	A785-E787 WeakPolarHBondContact CB-OE2 3.46Å
786	A	32.4	Very low	32.9	Very low	87 Å²	87	135.7 Å²	135.7	72%	0.719	74%	0.738	S	S	*	*			cis	-168.2	161.3	-7.2	0	0	0	0	0	107.8
787	E	31.4	Very low	31.7	Very low	153 Å²	153	138 Å²	138	72%	0.715	74%	0.744	S	S	*	*			cis	-164.3	175.2	-22.9	-137.8	73.1	-82.5	0	0	107.3	A785	A785-E787 WeakPolarHBondContact CB-OE2 3.46Å
788	D	31.9	Very low	31.8	Very low	117 Å²	117	139.4 Å²	139.4	63%	0.626	74%	0.74	S	S	*	*			trans	63.2	158.5	177.9	-77.6	-4.8	0	0	0	115.5
789	R	35.1	Very low	32.4	Very low	171 Å²	171	139.2 Å²	139.2	65%	0.645	74%	0.741	S	S	*	*			cis	-161.1	155.6	-13.5	-108.2	173.2	-155.6	-59.4	-43.3	107.3
790	E	33.7	Very low	32.7	Very low	135 Å²	135	141.4 Å²	141.4	63%	0.631	74%	0.744	S	S	*	*			cis	-149.3	-135.9	-1.6	-163.6	99.7	-104.1	0	0	108.7
791	E	35	Very low	32.9	Very low	169 Å²	169	143.9 Å²	143.9	79%	0.79	75%	0.745	S	S	*	*			trans	-92.7	178.7	-168.8	-69.5	159.3	174.5	0	0	116.3
792	E	33.7	Very low	31.8	Very low	170 Å²	170	149.2 Å²	149.2	79%	0.794	75%	0.75	S	S	*	*			cis	179	139.9	-42.3	-167.1	171.3	-130.8	0	0	108.7
793	D	32.6	Very low	31.8	Very low	149 Å²	149	147.8 Å²	147.8	80%	0.797	76%	0.756	S	S	*	*			trans	-167.8	171.5	139.1	-158.9	9.9	0	0	0	111
794	N	31.9	Very low	32.1	Very low	134 Å²	134	147.5 Å²	147.5	72%	0.717	76%	0.761	S	S	*	*			trans	-108.3	169.3	-148.9	-70.2	-92.2	0	0	0	115.7
795	G	28.7	Very low	31.9	Very low	77 Å²	77	148 Å²	148	79%	0.794	76%	0.763	S	S	*	*			trans	149	70.5	158.2	0	0	0	0	0	117
796	Y	34.6	Very low	32.6	Very low	217 Å²	217	150.5 Å²	150.5	85%	0.851	77%	0.773	S	S	*	*			trans	-82.3	138	170.4	-98.4	-106.5	0	0	0	112.3	F798	Y796-F798 HydrophobicContact CD1-CD2 4.27Å; Y796-F798 HydrophobicContact CD1-CE2 4.09Å; Y796-F798 AromaticContact CE1-CE2 3.97Å; Y796-F798 HydrophobicContact CE1-CE2 3.97Å
797	D	27.1	Very low	33.3	Very low	156 Å²	156	152.7 Å²	152.7	83%	0.834	78%	0.78	S	S	*	*				-157.6	164.9	129.1	-142.9	-20.1	0	0	0	112.8
798	F	30.3	Very low	33.2	Very low	158 Å²	158	150 Å²	150	69%	0.693	78%	0.784	S	S	*	*			trans	-122.2	-168.5	-179.6	-91.1	-108.7	0	0	0	109.1	Y796	Y796-F798 HydrophobicContact CD1-CD2 4.27Å; Y796-F798 HydrophobicContact CD1-CE2 4.09Å; Y796-F798 AromaticContact CE1-CE2 3.97Å; Y796-F798 HydrophobicContact CE1-CE2 3.97Å
799	P	37.3	Very low	33.1	Very low	114 Å²	114	154.9 Å²	154.9	74%	0.74	79%	0.793	S	S	*	*			cis	-124.8	-170	-19.2	20.4	4.9	0	0	0	113.5
800	K	34.8	Very low	33	Very low	200 Å²	200	156.1 Å²	156.1	87%	0.87	80%	0.798	S	S	*	*			trans	-58.3	149.7	173.5	-59.3	169.2	179.1	170.2	0	113.5
801	P	33.8	Very low	33	Very low	131 Å²	131	155 Å²	155	85%	0.851	80%	0.801	S	S	*	*				-146	-134.4	107.2	39.7	-22.6	0	0	0	115.9
802	R	23.2	Very low	32.9	Very low	232 Å²	232	156 Å²	156	88%	0.875	80%	0.803	S	S	*	*			trans	-118.8	167	-157.9	-59.7	177.2	175.2	179.6	-2.1	114.4
803	L	31.5	Very low	33	Very low	160 Å²	160	152.6 Å²	152.6	84%	0.838	80%	0.798	S	S	*	*			trans	7.6	140.7	148.8	-61.1	173.6	0	0	0	118.7
804	P	34.3	Very low	33.1	Very low	117 Å²	117	153.5 Å²	153.5	76%	0.76	80%	0.797	S	S	*	*				-156	-179.7	61.5	42.6	-21.5	0	0	0	119.5
805	Q	26.7	Very low	33.1	Very low	187 Å²	187	155.2 Å²	155.2	87%	0.874	80%	0.803	S	S	*	*			trans	22.7	125.5	158.9	-69.9	-177	-45.1	0	0	122.6
806	P	45.6	Very low	33.1	Very low	126 Å²	126	155.2 Å²	155.2	82%	0.818	80%	0.803	S	S	*	*			trans	-100.5	163	175.5	39.2	-35.4	0	0	0	116
807	P	45.5	Very low	32.8	Very low	134 Å²	134	148.6 Å²	148.6	87%	0.87	80%	0.8	S	S	*	*			trans	-99.4	-175.9	177.5	40	-36.7	0	0	0	114.8
808	A	29.3	Very low	32.9	Very low	96 Å²	96	146.4 Å²	146.4	79%	0.793	80%	0.797	S	S	*	*			trans	-141.1	136.4	178.4	0	0	0	0	0	115.3
809	R	30.7	Very low	33	Very low	219 Å²	219	146.1 Å²	146.1	83%	0.826	80%	0.803	S	S	*	*			trans	-179	134.2	136.3	-107.2	-176.6	179.6	-170.8	2.7	115.1
810	R	32.4	Very low	32.8	Very low	198 Å²	198	145.9 Å²	145.9	75%	0.747	80%	0.804	S	S	*	*			trans	56.5	120.8	143	-72.7	-174.4	174.8	-175.1	-2.8	122.6
811	T	34.1	Very low	32.7	Very low	111 Å²	111	141 Å²	141	68%	0.681	79%	0.794	S	S	*	*			trans	80.8	134.8	130.7	55.1	0	0	0	0	123.2
812	F	33.5	Very low	32.6	Very low	190 Å²	190	140.1 Å²	140.1	83%	0.833	79%	0.791	S	S	*	*			trans	86	123.9	159.3	-62.5	-65.1	0	0	0	121.8
813	S	35.6	Very low	33	Very low	98 Å²	98	134.1 Å²	134.1	69%	0.685	79%	0.785	S	S	*	*			trans	62.4	123.1	140.2	-55.9	0	0	0	0	124.8
814	E	34.7	Very low	33	Very low	168 Å²	168	131.4 Å²	131.4	79%	0.785	78%	0.78	S	S	*	*			trans	71.4	136.1	133.4	-81.6	-169.3	104.2	0	0	125.6
815	M	31.4	Very low	32.9	Very low	170 Å²	170	131.4 Å²	131.4	84%	0.837	78%	0.782	S	S	*	*			trans	75	112.9	142.3	-153.6	68.4	72.8	0	0	122.1
816	G	28	Very low	33.1	Very low	78 Å²	78	127.5 Å²	127.5	80%	0.804	78%	0.776	S	S	*	*			trans	109.6	145.7	138.8	0	0	0	0	0	119.2
817	G	28.1	Very low	32.4	Very low	77 Å²	77	126 Å²	126	79%	0.794	77%	0.768	S	S	*	*			trans	109.8	64	144.1	0	0	0	0	0	121.8
818	S	30.8	Very low	31.7	Very low	110 Å²	110	125.4 Å²	125.4	77%	0.769	77%	0.767	S	S	*	*			trans	41.4	121.3	130.5	-63.5	0	0	0	0	124.7
819	L	32.7	Very low	31.6	Very low	153 Å²	153	126.6 Å²	126.6	80%	0.801	77%	0.768	S	S	*	*				87.6	120.3	128.5	-65	169.4	0	0	0	124.1
820	S	32.5	Very low	31.5	Very low	109 Å²	109	121.5 Å²	121.5	76%	0.762	77%	0.766	S	S	*	*			trans	65.4	149.4	140.1	52.5	0	0	0	0	122.3
821	S	32.9	Very low	31.3	Very low	96 Å²	96	117.1 Å²	117.1	67%	0.671	77%	0.766	S	S	*	*			cis	-175.8	143.2	-20.8	51.3	0	0	0	0	112.7
822	S	31.4	Very low	31.1	Very low	113 Å²	113	117.2 Å²	117.2	79%	0.79	77%	0.771	S	S	*	*			trans	60.7	156.8	158.9	42.4	0	0	0	0	118.6
823	S	31.5	Very low	30.9	Very low	106 Å²	106	114.8 Å²	114.8	74%	0.741	77%	0.771	S	S	*	*			cis	-179.6	159	-13.6	50.1	0	0	0	0	108.2
824	S	31.2	Very low	30.6	Very low	104 Å²	104	114.8 Å²	114.8	73%	0.727	78%	0.777	S	S	*	*			cis	-175.8	178.8	-14.8	-85.5	0	0	0	0	108.4
825	S	31.7	Very low	30.3	Very low	117 Å²	117	110.9 Å²	110.9	82%	0.818	77%	0.774	S	S	*	*			trans	66.2	148.9	167.9	35.1	0	0	0	0	118.2
826	S	31.1	Very low	30.1	Very low	105 Å²	105	112.7 Å²	112.7	73%	0.734	78%	0.777	S	S	*	*			cis	-165	-160.9	-14.6	52.5	0	0	0	0	107.6
827	S	31	Very low	30.2	Very low	94 Å²	94	115.3 Å²	115.3	66%	0.657	77%	0.773	S	S	*	*			cis	-167.6	159.8	6.1	7.8	0	0	0	0	109.9
828	S	30.7	Very low	30.3	Very low	122 Å²	122	121.6 Å²	121.6	85%	0.853	77%	0.773	S	S	*	*			trans	69.1	132.9	165.8	-53.2	0	0	0	0	116.5
829	C	27	Very low	30.3	Very low	121 Å²	121	122.9 Å²	122.9	82%	0.818	77%	0.77	S	S	*	*			cis	-147	-170	6.5	56	0	0	0	0	108.7
830	S	28.3	Very low	30	Very low	112 Å²	112	120.5 Å²	120.5	78%	0.783	77%	0.766	S	S	*	*			cis	-153.9	-168.6	10.3	-156.5	0	0	0	0	111.9
831	S	29.4	Very low	29.9	Very low	105 Å²	105	122.6 Å²	122.6	73%	0.734	77%	0.768	S	S	*	*			trans	-101.6	147.3	-173.4	-53.2	0	0	0	0	114.5
832	S	29.4	Very low	29.7	Very low	114 Å²	114	124.7 Å²	124.7	80%	0.797	77%	0.772	S	S	*	*				172.1	151.5	111	50.9	0	0	0	0	115.8
833	V	29.9	Very low	29.6	Very low	138 Å²	138	123.8 Å²	123.8	84%	0.836	77%	0.766	S	S	*	*			trans	12.2	135.4	167.4	-102.2	0	0	0	0	124.7
834	A	29	Very low	29.6	Very low	98 Å²	98	125.1 Å²	125.1	81%	0.81	76%	0.764	S	S	*	*			trans	65.8	153.7	132	0	0	0	0	0	121.5
835	A	28.8	Very low	29.5	Very low	86 Å²	86	129.4 Å²	129.4	71%	0.711	77%	0.77	S	S	*	*			trans	-99.7	147.4	178.1	0	0	0	0	0	111.9
836	F	27.1	Very low	29.3	Very low	208 Å²	208	127.3 Å²	127.3	91%	0.912	77%	0.767	S	S	*	*			trans	-160.2	-179.2	133.5	-100.8	-58.8	0	0	0	111.4
837	N	30.4	Very low	29.1	Very low	133 Å²	133	127.1 Å²	127.1	71%	0.711	77%	0.772	S	S	*	*			trans	-79.8	150.8	-153.7	-82.1	-62.3	0	0	0	118
838	R	30.2	Very low	29	Very low	209 Å²	209	127.3 Å²	127.3	79%	0.789	78%	0.779	S	S	*	*			trans	65.1	121.7	139.7	-77.9	-177.5	171.2	-118.3	-0.8	122.1
839	L	30.5	Very low	29	Very low	138 Å²	138	125.8 Å²	125.8	72%	0.723	77%	0.774	S	S	*	*				59.1	106.9	126.9	-60.8	172.7	0	0	0	120.7
840	S	26	Very low	29.1	Very low	102 Å²	102	125.9 Å²	125.9	71%	0.713	78%	0.776	S	S	*	*				49.9	109.6	126.6	-158	0	0	0	0	120.3
841	L	30.4	Very low	29.1	Very low	153 Å²	153	124.3 Å²	124.3	80%	0.801	77%	0.77	S	S	*	*				11.9	131.8	121.7	-69.9	162.6	0	0	0	117.4
842	D	29.5	Very low	29	Very low	140 Å²	140	127.2 Å²	127.2	75%	0.749	78%	0.777	S	S	*	*				-153.6	156.3	84.3	-137.7	-50.7	0	0	0	113.8
843	S	29.6	Very low	29	Very low	95 Å²	95	130 Å²	130	66%	0.664	78%	0.777	S	S	*	*			trans	27.7	151	155	28.8	0	0	0	0	124.5
844	D	30.4	Very low	30.1	Very low	133 Å²	133	128.6 Å²	128.6	71%	0.711	77%	0.77	S	S	*	*			cis	-170.8	166.6	-28.4	-144.5	-24.1	0	0	0	111.4
845	F	28.6	Very low	30.2	Very low	194 Å²	194	128 Å²	128	85%	0.851	77%	0.766	S	S	*	*			trans	53.1	144.6	165.9	-80.7	-90.2	0	0	0	120.8
846	G	27.2	Very low	30.3	Very low	73 Å²	73	133 Å²	133	75%	0.753	78%	0.775	S	S	*	*			trans	-176.7	-20.8	174.5	0	0	0	0	0	122.4
847	A	28.5	Very low	30.4	Very low	101 Å²	101	127.5 Å²	127.5	84%	0.835	77%	0.768	S	S	*	*			trans	52.8	120.8	167.2	0	0	0	0	0	122.5
848	A	29	Very low	31	Very low	98 Å²	98	127 Å²	127	81%	0.81	77%	0.771	S	S	*	*			trans	77.7	113.3	131.4	0	0	0	0	0	124.3
849	A	29.9	Very low	30.9	Very low	90 Å²	90	126.1 Å²	126.1	74%	0.744	78%	0.776	S	S	*	*				87.5	125.9	120.6	0	0	0	0	0	123.9
850	S	28.5	Very low	31	Very low	123 Å²	123	130.9 Å²	130.9	86%	0.86	79%	0.785	S	S	*	*			trans	69.9	157.8	144.5	-60.5	0	0	0	0	120.3
851	A	28	Very low	31.7	Very low	79 Å²	79	131.8 Å²	131.8	65%	0.653	79%	0.788	S	S	*	*			cis	-173.9	173.5	-27.6	0	0	0	0	0	109.5
852	L	27.7	Very low	32.8	Very low	167 Å²	167	130 Å²	130	87%	0.874	79%	0.786	S	S	*	*			trans	71.5	154.1	167.8	-56.6	166.5	0	0	0	116.2
853	E	30.7	Very low	32.7	Very low	171 Å²	171	133.1 Å²	133.1	80%	0.799	79%	0.793	S	S	*	*			cis	171.3	174.7	-24.8	-100.7	-83.6	93.2	0	0	104.7
854	P	52.4	Low	33.1	Very low	109 Å²	109	134.4 Å²	134.4	71%	0.708	80%	0.798	S	S	*	*			trans	-129.8	-179.7	-145.3	45.1	-32.1	0	0	0	117.1
855	A	30.1	Very low	33.6	Very low	87 Å²	87	136.3 Å²	136.3	72%	0.719	81%	0.808	S	S	*	*			trans	-172.7	158.2	158.2	0	0	0	0	0	108.8
856	E	30.7	Very low	34.1	Very low	191 Å²	191	132.8 Å²	132.8	89%	0.893	81%	0.805	S	S	*	*			cis	-160.5	165.3	-15.9	-114.8	-179.5	109.2	0	0	108.5
857	A	30.7	Very low	34.3	Very low	92 Å²	92	140.6 Å²	140.6	76%	0.76	81%	0.811	S	S	*	*			trans	-158.9	142.1	173.4	0	0	0	0	0	111.6
858	P	42.5	Very low	34.5	Very low	122 Å²	122	147 Å²	147	79%	0.792	81%	0.814	S	S	*	*				-144.5	-170.2	92.3	38.5	-18.7	0	0	0	112.3
859	E	28.6	Very low	34.5	Very low	190 Å²	190	150.5 Å²	150.5	89%	0.888	82%	0.817	S	S	*	*			cis	-138	-168.5	21	-62.7	-169.1	104.4	0	0	114.6
860	R	31.1	Very low	34.3	Very low	239 Å²	239	152.4 Å²	152.4	90%	0.902	82%	0.815	S	S	*	*			trans	-114	178	-174.4	-78.2	-172.8	177.8	112.1	-3.7	111.6
861	P	41.5	Very low	34.4	Very low	121 Å²	121	151.9 Å²	151.9	79%	0.786	81%	0.811	S	S	*	*			cis	-132.6	180	6.4	40.9	-22.9	0	0	0	116.7
862	P	53.6	Low	34.6	Very low	116 Å²	116	156 Å²	156	75%	0.753	82%	0.817	S	S	*	*			trans	-127.6	146.6	-169.9	40.1	-25.9	0	0	0	118.8
863	K	27.2	Very low	34.7	Very low	205 Å²	205	159.9 Å²	159.9	89%	0.891	82%	0.82	S	S	*	*			trans	156.5	164.2	150.6	-96.2	173.2	-180	178.8	0	111.3
864	P	38.2	Very low	34.7	Very low	121 Å²	121	162.7 Å²	162.7	79%	0.786	82%	0.823	S	S	*	*			cis	-129.2	-165.9	-14.8	37.6	-17.7	0	0	0	114.4
865	L	41.5	Very low	33.9	Very low	174 Å²	174	166.6 Å²	166.6	91%	0.911	83%	0.831	S	S	*	*			trans	-100.3	157	-172.7	-66.8	165.1	0	0	0	116.1
866	P	38.5	Very low	33.8	Very low	120 Å²	120	168.3 Å²	168.3	78%	0.779	84%	0.838	S	S	*	*			trans	-132.2	115.2	165.3	37	-20.9	0	0	0	118.5
867	R	31.7	Very low	34.5	Very low	237 Å²	237	165 Å²	165	89%	0.894	83%	0.833	S	S	*	*			trans	24.2	150.1	135.8	-69.2	177.6	169.5	138.1	-3.4	126
868	R	31.8	Very low	34.5	Very low	236 Å²	236	167.1 Å²	167.1	89%	0.891	84%	0.837	S	S	*	*			trans	80.2	160.2	153.9	-78.1	178.6	173.7	-175.4	-2.2	117.1
869	I	29.9	Very low	34.2	Very low	171 Å²	171	166.8 Å²	166.8	88%	0.877	84%	0.835	S	S	*	*			cis	-134.3	179.5	23.9	-47	158.9	0	0	0	112.6
870	N	26	Very low	35.1	Very low	129 Å²	129	163.7 Å²	163.7	69%	0.69	83%	0.831	S	S	*	*			trans	-107	161.8	-169.7	178.6	33.3	0	0	0	114.7
871	S	30.7	Very low	35.3	Very low	113 Å²	113	159 Å²	159	79%	0.79	83%	0.828	S	S	*	*			trans	-157.5	121.9	158.8	65.8	0	0	0	0	114.8
872	E	30.7	Very low	35.4	Very low	165 Å²	165	159.2 Å²	159.2	77%	0.771	83%	0.83	S	S	*	*			trans	-103.5	165.7	170.8	-65.7	171.9	84.1	0	0	112.7
873	R	30.6	Very low	34.4	Very low	248 Å²	248	158.2 Å²	158.2	94%	0.936	83%	0.831	S	S	*	*			trans	-150.7	145.4	159.3	-159.6	168.8	-74.3	-145	0.6	111.6
874	R	30.6	Very low	35.1	Very low	230 Å²	230	154.3 Å²	154.3	87%	0.868	83%	0.827	S	S	*	*			trans	-101.1	165.2	-163.8	-69.3	-174.7	170.9	-155	-1.4	115.9
875	H	36.8	Very low	35.3	Very low	191 Å²	191	155 Å²	155	88%	0.884	83%	0.831	S	S	*	*			trans	-81	-179.8	161.8	-65.6	-79.2	0	0	0	113.1
876	S	26.4	Very low	34.7	Very low	123 Å²	123	150.8 Å²	150.8	86%	0.86	83%	0.83	S	S	*	*			trans	-138.8	163.3	177.2	-87.2	0	0	0	0	113.3
877	P	45.9	Very low	34.2	Very low	122 Å²	122	148.9 Å²	148.9	79%	0.792	83%	0.833	S	S	*	*			trans	-119.2	179.6	-150.5	42.9	-33	0	0	0	116.5
878	V	31.8	Very low	34	Very low	137 Å²	137	141.2 Å²	141.2	83%	0.83	83%	0.827	S	S	*	*			trans	-130	141.6	169.3	178.4	0	0	0	0	108.5
879	P	35	Very low	34.1	Very low	115 Å²	115	135.4 Å²	135.4	75%	0.747	83%	0.829	S	S	*	*			trans	-91.1	161.2	-169.1	35.4	-37	0	0	0	115.7
880	P	48.6	Very low	34.4	Very low	125 Å²	125	132.1 Å²	132.1	81%	0.812	83%	0.828	S	S	*	*			trans	-99.7	173.6	-178.6	39.8	-36.5	0	0	0	115.1
881	V	34.5	Very low	34.6	Very low	140 Å²	140	129.7 Å²	129.7	85%	0.848	83%	0.833	S	S	*	*			trans	-108.2	142.2	171.8	177.1	0	0	0	0	109.2
882	P	42.9	Very low	34.9	Very low	126 Å²	126	128.4 Å²	128.4	82%	0.818	84%	0.838	S	S	*	*			trans	-95.5	162.2	-162.2	36.8	-37.5	0	0	0	116.2
883	A	32.6	Very low	35.2	Very low	94 Å²	94	129.6 Å²	129.6	78%	0.777	84%	0.843	S	S	*	*			trans	-129.8	148.9	163.9	0	0	0	0	0	110.9
884	P	41.4	Very low	35.9	Very low	123 Å²	123	122.7 Å²	122.7	80%	0.799	84%	0.839	S	S	*	*			trans	-96.8	176.5	-175	44.3	-39.8	0	0	0	111.9
885	P	44.3	Very low	37	Very low	135 Å²	135	115.7 Å²	115.7	88%	0.877	82%	0.819	S	S	*	*				-133.6	166.2	-109	32.2	-9.4	0	0	0	117.9
886	G	27.9	Very low	38	Very low	86 Å²	86	111.2 Å²	111.2	89%	0.887	81%	0.807	S	S	*	*			trans	116.6	133.5	160.8	0	0	0	0	0	115
887	G	27.9	Very low	39.6	Very low	81 Å²	81	111.1 Å²	111.1	84%	0.835	80%	0.796	S	S	*	*			cis	-179.1	162.4	-5.6	0	0	0	0	0	113.1
888	G	28	Very low	40.8	Very low	75 Å²	75	107.1 Å²	107.1	77%	0.773	77%	0.767	S	S	*	*			trans	87.6	114.9	-175.3	0	0	0	0	0	112.4
889	A	33.6	Very low	42.9	Very low	114 Å²	114	104.5 Å²	104.5	94%	0.942	76%	0.756	S	S	*	*				69.1	124.8	58.6	0	0	0	0	0	112.7
890	A	35.2	Very low	45	Very low	103 Å²	103	102 Å²	102	85%	0.851	74%	0.741	S	S	*	*			cis	-129.6	169.2	1.7	0	0	0	0	0	109.4
891	G	31.3	Very low	46.7	Very low	78 Å²	78	98.5 Å²	98.5	80%	0.804	71%	0.714	S	S	*	*			cis	104.1	94.3	44.9	0	0	0	0	0	108.2
892	G	37.7	Very low	49.1	Very low	85 Å²	85	93.2 Å²	93.2	88%	0.876	68%	0.68	S	S	*	*			trans	-97.5	144.3	-164.5	0	0	0	0	0	115.4
893	E	36.6	Very low	51	Low	191 Å²	191	94.2 Å²	94.2	89%	0.893	67%	0.674	S	S	*	*			trans	-105.1	145.2	167.2	-65.2	-168.4	117.3	0	0	111.1	N895	E893-N895 PolarHBondContact O-N 3.13Å; E893-N895 VanDerWaalsContact O-N 3.16Å
894	A	45.2	Very low	53.5	Low	103 Å²	103	93.9 Å²	93.9	85%	0.851	66%	0.656	S	S	*	*			trans	-79.5	95.1	172.9	0	0	0	0	0	109.7	P896	A894-P896 WeakPolarHBondContact O-CD 3.31Å
895	N	54.1	Low	55.5	Low	82 Å²	82	88.2 Å²	88.2	44%	0.439	62%	0.619	S	S	.	*			trans	-63.1	115.9	-172.4	-176.3	-11.5	0	0	0	112.2	E893 L897 I898	E893-N895 PolarHBondContact O-N 3.13Å; E893-N895 VanDerWaalsContact O-N 3.16Å; N895-L897 VanDerWaalsContact C-N 3.3Å; N895-L897 PolarHBondContact O-N 3.17Å; N895-L897 PolarHBondContact OD1-N 3.09Å; N895-I898 HydrophobicContact CB-CD1 3.99Å; N895-I898 HydrophobicContact CB-CG1 4.15Å; N895-I898 WeakPolarHBondContact O-CB 3.46Å; N895-I898 PolarHBondContact O-N 2.67Å; N895-I898 VanDerWaalsContact O-N 3.16Å
896	P	57.2	Low	57.4	Low	97 Å²	97	86.2 Å²	86.2	63%	0.63	60%	0.599	S	S	*	*	H	α-helix	trans	-67.7	-23.4	-172.3	26.4	-34.8	0	0	0	114.3	A894 I898 S899 S900	A894-P896 WeakPolarHBondContact O-CD 3.31Å; P896-I898 PolarHBondContact O-N 3.09Å; P896-S899 PolarHBondContact O-N 2.86Å; P896-S900 PolarHBondContact O-N 3.12Å
897	L	60.6	Low	60	Low	121 Å²	121	86.5 Å²	86.5	63%	0.634	59%	0.587	S	S	*	*	H	α-helix	trans	-59.7	-32.5	174.5	-87.4	77.1	0	0	0	112	N895 S899 S900 E901	N895-L897 VanDerWaalsContact C-N 3.3Å; N895-L897 PolarHBondContact O-N 3.17Å; N895-L897 PolarHBondContact OD1-N 3.09Å; L897-S899 VanDerWaalsContact C-N 3.3Å; L897-S899 PolarHBondContact O-N 2.98Å; L897-S900 PolarHBondContact O-OG 2.98Å; L897-E901 PolarHBondContact O-N 2.63Å; L897-E901 VanDerWaalsContact O-N 3.15Å
898	I	70.8	Confident	62.6	Low	38 Å²	38	86.7 Å²	86.7	20%	0.195	57%	0.567	C	S	.	*	H	α-helix	trans	-65.4	-37.7	-179	-60	-178.3	0	0	0	110.2	N895 P896 I902 N924 I926	N895-I898 HydrophobicContact CB-CD1 3.99Å; N895-I898 HydrophobicContact CB-CG1 4.15Å; N895-I898 WeakPolarHBondContact O-CB 3.46Å; N895-I898 PolarHBondContact O-N 2.67Å; N895-I898 VanDerWaalsContact O-N 3.16Å; P896-I898 PolarHBondContact O-N 3.09Å; I898-I902 HydrophobicContact CG2-CD1 3.86Å; I898-I902 WeakPolarHBondContact O-CD1 3.26Å; I898-I902 WeakPolarHBondContact O-CG1 3.22Å; I898-I902 PolarHBondContact O-N 2.92Å; I898-I902 VanDerWaalsContact O-N 3.12Å; I898-N924 HydrophobicContact CD1-CB 4.23Å; I898-I926 HydrophobicContact CB-CD1 4.24Å; I898-I926 HydrophobicContact CG1-CD1 4.02Å; I898-I926 HydrophobicContact CG1-CG1 4.34Å; I898-I926 HydrophobicContact CG2-CD1 4.05Å
899	S	74.5	Confident	65.2	Low	83 Å²	83	85.3 Å²	85.3	58%	0.58	55%	0.553	S	S	*	*	H	α-helix	trans	-70	-43	-180	-59.3	0	0	0	0	112.9	P896 L897 E901 I902 E903	P896-S899 PolarHBondContact O-N 2.86Å; L897-S899 VanDerWaalsContact C-N 3.3Å; L897-S899 PolarHBondContact O-N 2.98Å; S899-E901 VanDerWaalsContact C-N 3.32Å; S899-E901 PolarHBondContact O-N 3.29Å; S899-I902 PolarHBondContact O-N 3Å; S899-E903 PolarHBondContact O-N 3.09Å
900	S	79.8	Confident	67.6	Low	63 Å²	63	81.2 Å²	81.2	44%	0.441	51%	0.513	S	S	.	.	H	α-helix	trans	-65.1	-36.5	176.9	50.9	0	0	0	0	112.3	P896 L897 E903 H904	P896-S900 PolarHBondContact O-N 3.12Å; L897-S900 PolarHBondContact O-OG 2.98Å; S900-E903 PolarHBondContact O-N 2.84Å; S900-H904 PolarHBondContact O-N 3.5Å
901	E	84	Confident	70.2	Confident	51 Å²	51	78.7 Å²	78.7	24%	0.238	49%	0.489	C	S	.	.	H	α-helix	trans	-77.9	-28.4	-178	-149.9	72	179.5	0	0	113.2	L897 S899 E903 H904 L905 I926 K930	L897-E901 PolarHBondContact O-N 2.63Å; L897-E901 VanDerWaalsContact O-N 3.15Å; S899-E901 VanDerWaalsContact C-N 3.32Å; S899-E901 PolarHBondContact O-N 3.29Å; E901-E903 VanDerWaalsContact C-N 3.34Å; E901-H904 PolarHBondContact O-N 2.86Å; E901-H904 IonicContact OE1-CD2 2.73Å; E901-L905 WeakPolarHBondContact O-CB 3.4Å; E901-L905 WeakPolarHBondContact O-CG 3.29Å; E901-L905 PolarHBondContact O-N 3.21Å; E901-I926 HydrophobicContact CB-CG2 4.11Å; E901-I926 HydrophobicContact CG-CG2 3.63Å; E901-K930 WeakPolarHBondContact OE1-CE 3.39Å; E901-K930 IonicContact OE1-NZ 3.77Å; E901-K930 PolarHBondContact OE1-NZ 3.14Å
902	I	84.6	Confident	72.9	Confident	29 Å²	29	81 Å²	81	15%	0.149	47%	0.474	C	S	.	.	H	α-helix	trans	-62.3	-43.9	167.7	-70.3	164.6	0	0	0	110.2	I898 S899 H904 L905 M906 Y912 I915 L919	I898-I902 HydrophobicContact CG2-CD1 3.86Å; I898-I902 WeakPolarHBondContact O-CD1 3.26Å; I898-I902 WeakPolarHBondContact O-CG1 3.22Å; I898-I902 PolarHBondContact O-N 2.92Å; I898-I902 VanDerWaalsContact O-N 3.12Å; S899-I902 PolarHBondContact O-N 3Å; I902-H904 VanDerWaalsContact C-N 3.34Å; I902-H904 PolarHBondContact O-N 2.74Å; I902-L905 PolarHBondContact O-N 3.27Å; I902-M906 HydrophobicContact CG2-SD 4.37Å; I902-M906 WeakPolarHBondContact O-CG 3.46Å; I902-M906 PolarHBondContact O-N 3.16Å; I902-Y912 HydrophobicContact CG2-CD2 3.88Å; I902-Y912 HydrophobicContact CG2-CE2 3.77Å; I902-I915 HydrophobicContact CB-CG2 4.43Å; I902-I915 HydrophobicContact CG1-CG2 3.93Å; I902-I915 HydrophobicContact CG2-CG2 4.21Å; I902-L919 HydrophobicContact CD1-CD1 3.69Å; I902-L919 HydrophobicContact CG1-CD1 3.7Å
903	E	83.6	Confident	75.3	Confident	146 Å²	146	83.3 Å²	83.3	68%	0.682	46%	0.462	S	S	*	.	H	α-helix	trans	-64.5	-38.6	176.8	-168.4	166.5	-146.4	0	0	111.4	S899 S900 E901 M906 S907	S899-E903 PolarHBondContact O-N 3.09Å; S900-E903 PolarHBondContact O-N 2.84Å; E901-E903 VanDerWaalsContact C-N 3.34Å; E903-M906 PolarHBondContact O-N 2.98Å; E903-S907 PolarHBondContact O-N 2.71Å
904	H	84.3	Confident	77.8	Confident	87 Å²	87	76.3 Å²	76.3	40%	0.403	43%	0.431	S	S	.	.	H	α-helix	trans	-63.8	-44.6	172.3	-171.8	44.2	0	0	0	112.6	S900 E901 I902 M906 S907 Q908	S900-H904 PolarHBondContact O-N 3.5Å; E901-H904 PolarHBondContact O-N 2.86Å; E901-H904 IonicContact OE1-CD2 2.73Å; I902-H904 VanDerWaalsContact C-N 3.34Å; I902-H904 PolarHBondContact O-N 2.74Å; H904-M906 VanDerWaalsContact C-N 3.34Å; H904-M906 PolarHBondContact O-N 3Å; H904-S907 PolarHBondContact ND1-OG 3.35Å; H904-S907 WeakPolarHBondContact O-CA 3.27Å; H904-S907 WeakPolarHBondContact O-CB 3.16Å; H904-S907 PolarHBondContact O-N 3.37Å; H904-S907 VanDerWaalsContact O-N 3.08Å; H904-S907 PolarHBondContact O-OG 2.66Å; H904-Q908 PolarHBondContact CD2-NE2 2.6Å; H904-Q908 PolarHBondContact NE2-NE2 3.2Å; H904-Q908 PolarHBondContact O-N 3.49Å; H904-Q908 VanDerWaalsContact O-N 3.12Å
905	L	85	Confident	79.9	Confident	5 Å²	5	71.5 Å²	71.5	3%	0.026	39%	0.391	C	S	.	.	H	α-helix	trans	-64	-36	176.1	-77.9	166.1	0	0	0	112.8	E901 I902 S907 Q908 Y910 I915 K930 L933	E901-L905 WeakPolarHBondContact O-CB 3.4Å; E901-L905 WeakPolarHBondContact O-CG 3.29Å; E901-L905 PolarHBondContact O-N 3.21Å; I902-L905 PolarHBondContact O-N 3.27Å; L905-S907 VanDerWaalsContact C-N 3.33Å; L905-Q908 PolarHBondContact O-N 3.48Å; L905-Y910 HydrophobicContact CD2-CD2 3.97Å; L905-Y910 HydrophobicContact CD2-CE2 4.26Å; L905-Y910 PolarHBondContact O-N 2.85Å; L905-I915 HydrophobicContact CB-CD1 3.64Å; L905-I915 HydrophobicContact CB-CG1 4.01Å; L905-I915 HydrophobicContact CD1-CG2 4.13Å; L905-K930 HydrophobicContact CD1-CG 4.22Å; L905-K930 HydrophobicContact CD2-CG 4.16Å; L905-L933 HydrophobicContact CD1-CD1 3.77Å; L905-L933 HydrophobicContact CD2-CD1 3.85Å; L905-L933 HydrophobicContact CG-CD1 4.3Å
906	M	83.9	Confident	81.4	Confident	93 Å²	93	73 Å²	73	46%	0.458	40%	0.395	S	S	.	.	H	α-helix	trans	-63.7	-38.3	170.7	-71.8	179.5	67.9	0	0	111.7	I902 E903 H904 Q908 G909 Y912 I915	I902-M906 HydrophobicContact CG2-SD 4.37Å; I902-M906 WeakPolarHBondContact O-CG 3.46Å; I902-M906 PolarHBondContact O-N 3.16Å; E903-M906 PolarHBondContact O-N 2.98Å; H904-M906 VanDerWaalsContact C-N 3.34Å; H904-M906 PolarHBondContact O-N 3Å; M906-Q908 PolarHBondContact O-N 3.35Å; M906-G909 PolarHBondContact O-N 3.49Å; M906-Y912 HydrophobicContact SD-CD2 3.69Å; M906-Y912 HydrophobicContact SD-CG 4.41Å; M906-I915 HydrophobicContact CB-CD1 4.47Å; M906-I915 HydrophobicContact CG-CD1 3.59Å
907	S	82	Confident	83	Confident	91 Å²	91	73 Å²	73	64%	0.636	39%	0.385	S	S	*	.	H	α-helix	trans	-65.9	-23.1	175	79.9	0	0	0	0	113.6	E903 H904 L905 G909	E903-S907 PolarHBondContact O-N 2.71Å; H904-S907 PolarHBondContact ND1-OG 3.35Å; H904-S907 WeakPolarHBondContact O-CA 3.27Å; H904-S907 WeakPolarHBondContact O-CB 3.16Å; H904-S907 PolarHBondContact O-N 3.37Å; H904-S907 VanDerWaalsContact O-N 3.08Å; H904-S907 PolarHBondContact O-OG 2.66Å; L905-S907 VanDerWaalsContact C-N 3.33Å; S907-G909 PolarHBondContact O-N 3.36Å
908	Q	81.8	Confident	84.3	Confident	86 Å²	86	67.3 Å²	67.3	40%	0.402	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	1.9	171.6	-63.5	176.8	14.8	0	0	113.3	H904 L905 M906 Y910	H904-Q908 PolarHBondContact CD2-NE2 2.6Å; H904-Q908 PolarHBondContact NE2-NE2 3.2Å; H904-Q908 PolarHBondContact O-N 3.49Å; H904-Q908 VanDerWaalsContact O-N 3.12Å; L905-Q908 PolarHBondContact O-N 3.48Å; M906-Q908 PolarHBondContact O-N 3.35Å; Q908-Y910 HydrophobicContact CB-CD2 3.97Å; Q908-Y910 HydrophobicContact CB-CE2 4.09Å
909	G	82.8	Confident	85.2	Confident	46 Å²	46	65.9 Å²	65.9	47%	0.474	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	5.6	176.1	0	0	0	0	0	115.5	M906 S907	M906-G909 PolarHBondContact O-N 3.49Å; S907-G909 PolarHBondContact O-N 3.36Å
910	Y	85.4	Confident	85.7	Confident	28 Å²	28	68.9 Å²	68.9	11%	0.11	36%	0.355	C	S	.	.			trans	-75.2	140.9	173.9	-66.3	-73.9	0	0	0	111.7	L905 Q908 L933 R934 V937 V939	L905-Y910 HydrophobicContact CD2-CD2 3.97Å; L905-Y910 HydrophobicContact CD2-CE2 4.26Å; L905-Y910 PolarHBondContact O-N 2.85Å; Q908-Y910 HydrophobicContact CB-CD2 3.97Å; Q908-Y910 HydrophobicContact CB-CE2 4.09Å; Y910-L933 HydrophobicContact CD1-CB 3.96Å; Y910-L933 HydrophobicContact CD1-CD2 3.97Å; Y910-L933 HydrophobicContact CD1-CG 4.41Å; Y910-L933 HydrophobicContact CE1-CB 3.75Å; Y910-L933 VanDerWaalsContact CE1-O 3.27Å; Y910-L933 WeakPolarHBondContact CE1-O 3.09Å; Y910-L933 HydrophobicContact CE2-CB 4.4Å; Y910-L933 HydrophobicContact CG-CB 4.37Å; Y910-L933 HydrophobicContact CG-CD1 4.41Å; Y910-L933 HydrophobicContact CG-CD2 4.36Å; Y910-R934 WeakPolarHBondContact OH-CG 3.38Å; Y910-V937 HydrophobicContact CD1-CB 4.1Å; Y910-V937 HydrophobicContact CD1-CG1 3.9Å; Y910-V937 HydrophobicContact CE1-CB 4.05Å; Y910-V937 HydrophobicContact CE1-CG1 4.23Å; Y910-V937 WeakPolarHBondContact CE1-O 3.25Å; Y910-V939 HydrophobicContact CD1-CG2 3.58Å; Y910-V939 HydrophobicContact CD2-CG2 4.4Å; Y910-V939 HydrophobicContact CE1-CG2 3.47Å; Y910-V939 VanDerWaalsContact CE1-CG2 3.47Å; Y910-V939 HydrophobicContact CE2-CG2 4.31Å; Y910-V939 HydrophobicContact CG-CG2 4.06Å
911	S	89.8	Confident	86	Confident	50 Å²	50	71.4 Å²	71.4	35%	0.35	36%	0.363	S	S	.	.			trans	-72.8	140.9	177.6	109.7	0	0	0	0	111	Q913 D914 I915	S911-Q913 PolarHBondContact O-N 3.45Å; S911-Q913 PolarHBondContact OG-N 2.71Å; S911-D914 WeakPolarHBondContact CB-OD2 3.12Å; S911-D914 PolarHBondContact O-N 3.46Å; S911-D914 VanDerWaalsContact OG-CG 3.31Å; S911-D914 PolarHBondContact OG-N 3.41Å; S911-D914 PolarHBondContact OG-OD2 2.8Å; S911-I915 WeakPolarHBondContact O-CG1 3.14Å; S911-I915 PolarHBondContact O-N 2.82Å
912	Y	86.9	Confident	86.2	Confident	125 Å²	125	69.6 Å²	69.6	49%	0.49	36%	0.356	S	S	.	.	H	α-helix	trans	-55.8	-35.7	177.7	-176.8	-93.1	0	0	0	112.7	I902 M906 D914 Q916	I902-Y912 HydrophobicContact CG2-CD2 3.88Å; I902-Y912 HydrophobicContact CG2-CE2 3.77Å; M906-Y912 HydrophobicContact SD-CD2 3.69Å; M906-Y912 HydrophobicContact SD-CG 4.41Å; Y912-D914 VanDerWaalsContact C-N 3.33Å; Y912-D914 PolarHBondContact O-N 2.8Å; Y912-Q916 VanDerWaalsContact O-CB 3.31Å; Y912-Q916 WeakPolarHBondContact O-CB 3.4Å; Y912-Q916 PolarHBondContact O-N 3.22Å
913	Q	88.6	Confident	86.2	Confident	134 Å²	134	76.4 Å²	76.4	63%	0.626	39%	0.388	S	S	*	.	H	α-helix	trans	-67	-35	177.4	-65.8	-171.3	5.6	0	0	112.3	S911 K917	S911-Q913 PolarHBondContact O-N 3.45Å; S911-Q913 PolarHBondContact OG-N 2.71Å; Q913-K917 WeakPolarHBondContact O-CE 3.36Å; Q913-K917 WeakPolarHBondContact O-CG 3.17Å; Q913-K917 PolarHBondContact O-N 3.43Å
914	D	89	Confident	86.1	Confident	45 Å²	45	74.3 Å²	74.3	24%	0.241	38%	0.381	C	S	.	.	H	α-helix	trans	-81.1	-34.6	-179.5	-56.6	-50.1	0	0	0	111.3	S911 Y912 Q916 K917 A918 L933 V937	S911-D914 WeakPolarHBondContact CB-OD2 3.12Å; S911-D914 PolarHBondContact O-N 3.46Å; S911-D914 VanDerWaalsContact OG-CG 3.31Å; S911-D914 PolarHBondContact OG-N 3.41Å; S911-D914 PolarHBondContact OG-OD2 2.8Å; Y912-D914 VanDerWaalsContact C-N 3.33Å; Y912-D914 PolarHBondContact O-N 2.8Å; D914-Q916 VanDerWaalsContact C-N 3.33Å; D914-K917 PolarHBondContact O-N 2.76Å; D914-K917 IonicContact OD1-NZ 2.98Å; D914-K917 PolarHBondContact OD1-NZ 3.38Å; D914-A918 VanDerWaalsContact O-CB 3.3Å; D914-A918 WeakPolarHBondContact O-CB 3.28Å; D914-A918 PolarHBondContact O-N 3.19Å; D914-L933 HydrophobicContact CB-CD2 4.29Å; D914-V937 HydrophobicContact CB-CG1 4.47Å; D914-V937 HydrophobicContact CB-CG2 4.29Å
915	I	89.8	Confident	86.3	Confident	1 Å²	1	74.1 Å²	74.1	1%	0.005	38%	0.383	C	S	.	.	H	α-helix	trans	-59	-45.7	167.4	-61	162.1	0	0	0	110.2	I902 L905 M906 S911 A918 L919 L933	I902-I915 HydrophobicContact CB-CG2 4.43Å; I902-I915 HydrophobicContact CG1-CG2 3.93Å; I902-I915 HydrophobicContact CG2-CG2 4.21Å; L905-I915 HydrophobicContact CB-CD1 3.64Å; L905-I915 HydrophobicContact CB-CG1 4.01Å; L905-I915 HydrophobicContact CD1-CG2 4.13Å; M906-I915 HydrophobicContact CB-CD1 4.47Å; M906-I915 HydrophobicContact CG-CD1 3.59Å; S911-I915 WeakPolarHBondContact O-CG1 3.14Å; S911-I915 PolarHBondContact O-N 2.82Å; I915-A918 PolarHBondContact O-N 3.4Å; I915-L919 HydrophobicContact CG2-CD1 3.93Å; I915-L919 HydrophobicContact CG2-CG 4.48Å; I915-L919 WeakPolarHBondContact O-CB 3.34Å; I915-L919 WeakPolarHBondContact O-CG 3.27Å; I915-L919 PolarHBondContact O-N 3.39Å; I915-L933 HydrophobicContact CB-CD1 4.38Å; I915-L933 HydrophobicContact CG1-CD1 3.84Å; I915-L933 HydrophobicContact CG1-CD2 4.42Å
916	Q	86.1	Confident	86.3	Confident	114 Å²	114	74.9 Å²	74.9	53%	0.533	39%	0.387	S	S	.	.	H	α-helix	trans	-65	-39.7	178.2	-169.2	177.6	9.3	0	0	112.6	Y912 D914 M920	Y912-Q916 VanDerWaalsContact O-CB 3.31Å; Y912-Q916 WeakPolarHBondContact O-CB 3.4Å; Y912-Q916 PolarHBondContact O-N 3.22Å; D914-Q916 VanDerWaalsContact C-N 3.33Å; Q916-M920 WeakPolarHBondContact O-CB 3.21Å; Q916-M920 PolarHBondContact O-N 3Å
917	K	89	Confident	86.4	Confident	96 Å²	96	75.4 Å²	75.4	42%	0.417	39%	0.388	S	S	.	.	H	α-helix	trans	-63.1	-46.7	172.2	-70.4	163.6	-151.6	161.6	0	111.5	Q913 D914 L919 M920 I921	Q913-K917 WeakPolarHBondContact O-CE 3.36Å; Q913-K917 WeakPolarHBondContact O-CG 3.17Å; Q913-K917 PolarHBondContact O-N 3.43Å; D914-K917 PolarHBondContact O-N 2.76Å; D914-K917 IonicContact OD1-NZ 2.98Å; D914-K917 PolarHBondContact OD1-NZ 3.38Å; K917-L919 VanDerWaalsContact C-N 3.34Å; K917-L919 PolarHBondContact O-N 3.45Å; K917-M920 PolarHBondContact O-N 3.27Å; K917-I921 VanDerWaalsContact O-CG1 3.31Å; K917-I921 WeakPolarHBondContact O-CG1 3.49Å; K917-I921 PolarHBondContact O-N 3.47Å
918	A	89.1	Confident	86.5	Confident	2 Å²	2	76.1 Å²	76.1	2%	0.017	38%	0.383	C	S	.	.	H	α-helix	trans	-61.2	-42.6	179.8	0	0	0	0	0	111.4	D914 I915 I921 A922 A929 I932 L933	D914-A918 VanDerWaalsContact O-CB 3.3Å; D914-A918 WeakPolarHBondContact O-CB 3.28Å; D914-A918 PolarHBondContact O-N 3.19Å; I915-A918 PolarHBondContact O-N 3.4Å; A918-I921 PolarHBondContact O-N 3.34Å; A918-A922 WeakPolarHBondContact O-CB 3.18Å; A918-A922 PolarHBondContact O-N 3.16Å; A918-A929 HydrophobicContact CB-CB 4.05Å; A918-I932 HydrophobicContact CB-CB 4.31Å; A918-I932 HydrophobicContact CB-CG2 3.97Å; A918-L933 HydrophobicContact CB-CD1 4.37Å; A918-L933 HydrophobicContact CB-CD2 3.99Å; A918-L933 HydrophobicContact CB-CG 3.83Å
919	L	88.6	Confident	86.8	Confident	9 Å²	9	72 Å²	72	5%	0.047	36%	0.363	C	S	.	.	H	α-helix	trans	-65.8	-37.9	174	-71.9	169.3	0	0	0	112.9	I902 I915 K917 A922 Q923 N924 I926 A929	I902-L919 HydrophobicContact CD1-CD1 3.69Å; I902-L919 HydrophobicContact CG1-CD1 3.7Å; I915-L919 HydrophobicContact CG2-CD1 3.93Å; I915-L919 HydrophobicContact CG2-CG 4.48Å; I915-L919 WeakPolarHBondContact O-CB 3.34Å; I915-L919 WeakPolarHBondContact O-CG 3.27Å; I915-L919 PolarHBondContact O-N 3.39Å; K917-L919 VanDerWaalsContact C-N 3.34Å; K917-L919 PolarHBondContact O-N 3.45Å; L919-A922 CarbonylContact O-C 3.56Å; L919-A922 PolarHBondContact O-N 3.3Å; L919-Q923 PolarHBondContact O-N 2.89Å; L919-N924 PolarHBondContact O-N 3.44Å; L919-I926 HydrophobicContact CD2-CD1 3.62Å; L919-A929 HydrophobicContact CD2-CB 3.59Å; L919-A929 HydrophobicContact CG-CB 3.97Å
920	M	86.3	Confident	87	Confident	146 Å²	146	71.8 Å²	71.8	72%	0.719	35%	0.349	S	S	*	.	H	α-helix	trans	-65.3	-41.4	175.6	-173.4	176	68.6	0	0	111.9	Q916 K917 Q923	Q916-M920 WeakPolarHBondContact O-CB 3.21Å; Q916-M920 PolarHBondContact O-N 3Å; K917-M920 PolarHBondContact O-N 3.27Å; M920-Q923 PolarHBondContact O-N 3.06Å
921	I	86.4	Confident	87.1	Confident	116 Å²	116	74 Å²	74	60%	0.595	36%	0.363	S	S	*	.	H	α-helix	trans	-67	-41	174.3	-66	163	0	0	0	110.7	K917 A918 Q923 I932	K917-I921 VanDerWaalsContact O-CG1 3.31Å; K917-I921 WeakPolarHBondContact O-CG1 3.49Å; K917-I921 PolarHBondContact O-N 3.47Å; A918-I921 PolarHBondContact O-N 3.34Å; I921-Q923 VanDerWaalsContact C-N 3.27Å; I921-Q923 PolarHBondContact O-N 2.67Å; I921-I932 HydrophobicContact CB-CD1 4.42Å; I921-I932 HydrophobicContact CG2-CD1 3.93Å
922	A	86.8	Confident	87	Confident	12 Å²	12	73 Å²	73	10%	0.099	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	4	179.4	0	0	0	0	0	114.7	A918 L919 N924 N925 M928 A929 I932	A918-A922 WeakPolarHBondContact O-CB 3.18Å; A918-A922 PolarHBondContact O-N 3.16Å; L919-A922 CarbonylContact O-C 3.56Å; L919-A922 PolarHBondContact O-N 3.3Å; A922-N924 VanDerWaalsContact C-N 3.28Å; A922-N924 PolarHBondContact O-N 3.2Å; A922-N925 HydrophobicContact CB-CB 4.36Å; A922-N925 WeakPolarHBondContact CB-O 3.33Å; A922-N925 WeakPolarHBondContact O-CB 3.5Å; A922-N925 PolarHBondContact O-N 3.39Å; A922-M928 HydrophobicContact CB-CB 3.88Å; A922-M928 HydrophobicContact CB-CG 3.89Å; A922-A929 HydrophobicContact CB-CB 4.06Å; A922-I932 HydrophobicContact CB-CD1 4.28Å
923	Q	85.3	Confident	87.1	Confident	173 Å²	173	67 Å²	67	81%	0.808	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	43.2	-177.2	-54	-177	8	0	0	113.3	L919 M920 I921 N925	L919-Q923 PolarHBondContact O-N 2.89Å; M920-Q923 PolarHBondContact O-N 3.06Å; I921-Q923 VanDerWaalsContact C-N 3.27Å; I921-Q923 PolarHBondContact O-N 2.67Å; Q923-N925 PolarHBondContact O-N 3.19Å
924	N	82.4	Confident	86.9	Confident	101 Å²	101	67.8 Å²	67.8	54%	0.54	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	10.8	-173.5	-56.6	-51	0	0	0	116.1	I898 L919 A922 I926	I898-N924 HydrophobicContact CD1-CB 4.23Å; L919-N924 PolarHBondContact O-N 3.44Å; A922-N924 VanDerWaalsContact C-N 3.28Å; A922-N924 PolarHBondContact O-N 3.2Å; N924-I926 PolarHBondContact O-N 2.94Å
925	N	87.8	Confident	86.7	Confident	83 Å²	83	72.8 Å²	72.8	44%	0.444	35%	0.349	S	S	.	.			trans	-70.8	115.8	168.1	-175.1	-60.5	0	0	0	110.2	A922 Q923 E927 M928 A929	A922-N925 HydrophobicContact CB-CB 4.36Å; A922-N925 WeakPolarHBondContact CB-O 3.33Å; A922-N925 WeakPolarHBondContact O-CB 3.5Å; A922-N925 PolarHBondContact O-N 3.39Å; Q923-N925 PolarHBondContact O-N 3.19Å; N925-E927 PolarHBondContact OD1-N 2.95Å; N925-M928 HydrophobicContact CB-CB 3.97Å; N925-M928 VanDerWaalsContact OD1-CB 3.25Å; N925-M928 WeakPolarHBondContact OD1-CB 3.2Å; N925-M928 PolarHBondContact OD1-N 3.03Å; N925-A929 WeakPolarHBondContact O-CB 3.43Å; N925-A929 PolarHBondContact O-N 3.39Å
926	I	85.2	Confident	86.3	Confident	21 Å²	21	80.2 Å²	80.2	11%	0.108	38%	0.382	C	S	.	.	H	α-helix	trans	-67.3	-46.5	-174.2	-66.2	-54.3	0	0	0	111.9	I898 E901 L919 N924 M928 A929 K930	I898-I926 HydrophobicContact CB-CD1 4.24Å; I898-I926 HydrophobicContact CG1-CD1 4.02Å; I898-I926 HydrophobicContact CG1-CG1 4.34Å; I898-I926 HydrophobicContact CG2-CD1 4.05Å; E901-I926 HydrophobicContact CB-CG2 4.11Å; E901-I926 HydrophobicContact CG-CG2 3.63Å; L919-I926 HydrophobicContact CD2-CD1 3.62Å; N924-I926 PolarHBondContact O-N 2.94Å; I926-M928 PolarHBondContact O-N 3.47Å; I926-A929 PolarHBondContact O-N 3.37Å; I926-K930 HydrophobicContact CG2-CD 4.01Å; I926-K930 VanDerWaalsContact CG2-CE 3.44Å; I926-K930 HydrophobicContact CG2-CG 4.47Å; I926-K930 VanDerWaalsContact O-CG 3.3Å; I926-K930 WeakPolarHBondContact O-CG 3.41Å; I926-K930 PolarHBondContact O-N 3.33Å
927	E	86.2	Confident	86.1	Confident	105 Å²	105	76.7 Å²	76.7	49%	0.491	37%	0.368	S	S	.	.	H	α-helix	trans	-66.7	-40	-175.9	-75.1	51.1	-115.7	0	0	111.4	N925 K930 N931	N925-E927 PolarHBondContact OD1-N 2.95Å; E927-K930 PolarHBondContact O-N 3.24Å; E927-K930 IonicContact OE1-NZ 2.65Å; E927-K930 PolarHBondContact OE1-NZ 3.36Å; E927-N931 PolarHBondContact O-N 3.46Å; E927-N931 PolarHBondContact O-ND2 3.28Å
928	M	84.1	Confident	85.3	Confident	105 Å²	105	77.9 Å²	77.9	52%	0.517	39%	0.388	S	S	.	.	H	α-helix	trans	-65	-44	172.9	-170.1	71.9	169.4	0	0	111.1	A922 N925 I926 N931 I932	A922-M928 HydrophobicContact CB-CB 3.88Å; A922-M928 HydrophobicContact CB-CG 3.89Å; N925-M928 HydrophobicContact CB-CB 3.97Å; N925-M928 VanDerWaalsContact OD1-CB 3.25Å; N925-M928 WeakPolarHBondContact OD1-CB 3.2Å; N925-M928 PolarHBondContact OD1-N 3.03Å; I926-M928 PolarHBondContact O-N 3.47Å; M928-N931 PolarHBondContact O-N 2.8Å; M928-I932 HydrophobicContact CG-CD1 4.2Å; M928-I932 WeakPolarHBondContact O-CG1 3.31Å; M928-I932 PolarHBondContact O-N 3.34Å
929	A	87.7	Confident	84.4	Confident	0 Å²	0	80.4 Å²	80.4	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-63.6	-41.5	175.2	0	0	0	0	0	112.5	A918 L919 A922 N925 I926 N931 I932 L933	A918-A929 HydrophobicContact CB-CB 4.05Å; L919-A929 HydrophobicContact CD2-CB 3.59Å; L919-A929 HydrophobicContact CG-CB 3.97Å; A922-A929 HydrophobicContact CB-CB 4.06Å; N925-A929 WeakPolarHBondContact O-CB 3.43Å; N925-A929 PolarHBondContact O-N 3.39Å; I926-A929 PolarHBondContact O-N 3.37Å; A929-N931 VanDerWaalsContact C-N 3.29Å; A929-N931 PolarHBondContact O-N 3.21Å; A929-I932 PolarHBondContact O-N 3.12Å; A929-L933 WeakPolarHBondContact O-CB 3.28Å; A929-L933 VanDerWaalsContact O-CG 3.28Å; A929-L933 WeakPolarHBondContact O-CG 3.45Å; A929-L933 PolarHBondContact O-N 3.33Å
930	K	86.2	Confident	82.5	Confident	42 Å²	42	85.1 Å²	85.1	18%	0.183	43%	0.434	C	S	.	.	H	α-helix	trans	-57.4	-40.1	172.5	-73.9	164.8	176.7	167.9	0	112.2	E901 L905 I926 E927 R934	E901-K930 WeakPolarHBondContact OE1-CE 3.39Å; E901-K930 IonicContact OE1-NZ 3.77Å; E901-K930 PolarHBondContact OE1-NZ 3.14Å; L905-K930 HydrophobicContact CD1-CG 4.22Å; L905-K930 HydrophobicContact CD2-CG 4.16Å; I926-K930 HydrophobicContact CG2-CD 4.01Å; I926-K930 VanDerWaalsContact CG2-CE 3.44Å; I926-K930 HydrophobicContact CG2-CG 4.47Å; I926-K930 VanDerWaalsContact O-CG 3.3Å; I926-K930 WeakPolarHBondContact O-CG 3.41Å; I926-K930 PolarHBondContact O-N 3.33Å; E927-K930 PolarHBondContact O-N 3.24Å; E927-K930 IonicContact OE1-NZ 2.65Å; E927-K930 PolarHBondContact OE1-NZ 3.36Å; K930-R934 PolarHBondContact O-N 3Å; K930-R934 VanDerWaalsContact O-N 3.13Å
931	N	88.2	Confident	80.3	Confident	74 Å²	74	83.4 Å²	83.4	40%	0.396	44%	0.437	S	S	.	.	H	α-helix	trans	-69.9	-45.5	176.9	-71.7	-18.7	0	0	0	111.4	E927 M928 A929 L933 R934 E935	E927-N931 PolarHBondContact O-N 3.46Å; E927-N931 PolarHBondContact O-ND2 3.28Å; M928-N931 PolarHBondContact O-N 2.8Å; A929-N931 VanDerWaalsContact C-N 3.29Å; A929-N931 PolarHBondContact O-N 3.21Å; N931-L933 VanDerWaalsContact C-N 3.29Å; N931-L933 PolarHBondContact O-N 2.97Å; N931-R934 PolarHBondContact O-N 3.35Å; N931-R934 VanDerWaalsContact OD1-CZ 3.31Å; N931-R934 PolarHBondContact OD1-NH1 2.77Å; N931-R934 PolarHBondContact OD1-NH2 2.91Å; N931-E935 WeakPolarHBondContact O-CB 3.4Å; N931-E935 WeakPolarHBondContact O-CG 3.37Å; N931-E935 PolarHBondContact O-N 2.97Å
932	I	88.3	Confident	78.5	Confident	29 Å²	29	84.8 Å²	84.8	15%	0.149	45%	0.451	C	S	.	.	H	α-helix	trans	-57.6	-42.2	175.7	-68.8	164.3	0	0	0	111.2	A918 I921 A922 M928 A929 F936	A918-I932 HydrophobicContact CB-CB 4.31Å; A918-I932 HydrophobicContact CB-CG2 3.97Å; I921-I932 HydrophobicContact CB-CD1 4.42Å; I921-I932 HydrophobicContact CG2-CD1 3.93Å; A922-I932 HydrophobicContact CB-CD1 4.28Å; M928-I932 HydrophobicContact CG-CD1 4.2Å; M928-I932 WeakPolarHBondContact O-CG1 3.31Å; M928-I932 PolarHBondContact O-N 3.34Å; A929-I932 PolarHBondContact O-N 3.12Å; I932-F936 HydrophobicContact CG2-CD2 4.21Å; I932-F936 WeakPolarHBondContact O-CB 3.28Å; I932-F936 WeakPolarHBondContact O-CD2 3.43Å; I932-F936 PolarHBondContact O-N 3.14Å
933	L	88.8	Confident	76	Confident	0 Å²	0	87.3 Å²	87.3	0%	0	47%	0.472	C	S	.	.	H	α-helix	trans	-65.6	-42.2	177.1	-71	169	0	0	0	112.4	L905 Y910 D914 I915 A918 A929 N931 V937	L905-L933 HydrophobicContact CD1-CD1 3.77Å; L905-L933 HydrophobicContact CD2-CD1 3.85Å; L905-L933 HydrophobicContact CG-CD1 4.3Å; Y910-L933 HydrophobicContact CD1-CB 3.96Å; Y910-L933 HydrophobicContact CD1-CD2 3.97Å; Y910-L933 HydrophobicContact CD1-CG 4.41Å; Y910-L933 HydrophobicContact CE1-CB 3.75Å; Y910-L933 VanDerWaalsContact CE1-O 3.27Å; Y910-L933 WeakPolarHBondContact CE1-O 3.09Å; Y910-L933 HydrophobicContact CE2-CB 4.4Å; Y910-L933 HydrophobicContact CG-CB 4.37Å; Y910-L933 HydrophobicContact CG-CD1 4.41Å; Y910-L933 HydrophobicContact CG-CD2 4.36Å; D914-L933 HydrophobicContact CB-CD2 4.29Å; I915-L933 HydrophobicContact CB-CD1 4.38Å; I915-L933 HydrophobicContact CG1-CD1 3.84Å; I915-L933 HydrophobicContact CG1-CD2 4.42Å; A918-L933 HydrophobicContact CB-CD1 4.37Å; A918-L933 HydrophobicContact CB-CD2 3.99Å; A918-L933 HydrophobicContact CB-CG 3.83Å; A929-L933 WeakPolarHBondContact O-CB 3.28Å; A929-L933 VanDerWaalsContact O-CG 3.28Å; A929-L933 WeakPolarHBondContact O-CG 3.45Å; A929-L933 PolarHBondContact O-N 3.33Å; N931-L933 VanDerWaalsContact C-N 3.29Å; N931-L933 PolarHBondContact O-N 2.97Å; L933-V937 HydrophobicContact CD2-CB 4.36Å; L933-V937 HydrophobicContact CD2-CG2 3.96Å; L933-V937 WeakPolarHBondContact O-CB 3.38Å; L933-V937 PolarHBondContact O-N 3.17Å; L933-V937 VanDerWaalsContact O-N 3.11Å
934	R	83.7	Confident	73.7	Confident	149 Å²	149	88.2 Å²	88.2	56%	0.562	48%	0.476	S	S	*	.	H	α-helix	trans	-67.6	-37.9	176.8	-90.4	-176.8	-80.6	103.3	3.1	113.9	Y910 K930 N931	Y910-R934 WeakPolarHBondContact OH-CG 3.38Å; K930-R934 PolarHBondContact O-N 3Å; K930-R934 VanDerWaalsContact O-N 3.13Å; N931-R934 PolarHBondContact O-N 3.35Å; N931-R934 VanDerWaalsContact OD1-CZ 3.31Å; N931-R934 PolarHBondContact OD1-NH1 2.77Å; N931-R934 PolarHBondContact OD1-NH2 2.91Å
935	E	84.6	Confident	71.7	Confident	150 Å²	150	90.5 Å²	90.5	70%	0.701	49%	0.486	S	S	*	.	H	α-helix	trans	-76.2	-45	179.9	-72.4	-81.6	119.7	0	0	112.5	N931	N931-E935 WeakPolarHBondContact O-CB 3.4Å; N931-E935 WeakPolarHBondContact O-CG 3.37Å; N931-E935 PolarHBondContact O-N 2.97Å
936	F	81.3	Confident	69	Low	157 Å²	157	95.9 Å²	95.9	69%	0.689	51%	0.506	S	S	*	.	H	α-helix	trans	-114.4	-4.3	-163.7	-57.8	-73.9	0	0	0	115.4	I932	I932-F936 HydrophobicContact CG2-CD2 4.21Å; I932-F936 WeakPolarHBondContact O-CB 3.28Å; I932-F936 WeakPolarHBondContact O-CD2 3.43Å; I932-F936 PolarHBondContact O-N 3.14Å
937	V	82.1	Confident	66.6	Low	41 Å²	41	105.1 Å²	105.1	25%	0.248	56%	0.564	C	S	.	*			trans	-124.3	101.6	179.6	-174.6	0	0	0	0	111	Y910 D914 L933 V939	Y910-V937 HydrophobicContact CD1-CB 4.1Å; Y910-V937 HydrophobicContact CD1-CG1 3.9Å; Y910-V937 HydrophobicContact CE1-CB 4.05Å; Y910-V937 HydrophobicContact CE1-CG1 4.23Å; Y910-V937 WeakPolarHBondContact CE1-O 3.25Å; D914-V937 HydrophobicContact CB-CG1 4.47Å; D914-V937 HydrophobicContact CB-CG2 4.29Å; L933-V937 HydrophobicContact CD2-CB 4.36Å; L933-V937 HydrophobicContact CD2-CG2 3.96Å; L933-V937 WeakPolarHBondContact O-CB 3.38Å; L933-V937 PolarHBondContact O-N 3.17Å; L933-V937 VanDerWaalsContact O-N 3.11Å; V937-V939 PolarHBondContact O-N 2.93Å
938	S	71.8	Confident	65.7	Low	121 Å²	121	105.2 Å²	105.2	85%	0.846	57%	0.568	S	S	*	*			trans	-76.3	105.9	178.8	-49.9	0	0	0	0	111.9
939	V	70.9	Confident	64.7	Low	55 Å²	55	105.2 Å²	105.2	33%	0.333	57%	0.57	S	S	.	*			trans	-74.5	128.3	170	-177.7	0	0	0	0	109.5	Y910 V937 S941	Y910-V939 HydrophobicContact CD1-CG2 3.58Å; Y910-V939 HydrophobicContact CD2-CG2 4.4Å; Y910-V939 HydrophobicContact CE1-CG2 3.47Å; Y910-V939 VanDerWaalsContact CE1-CG2 3.47Å; Y910-V939 HydrophobicContact CE2-CG2 4.31Å; Y910-V939 HydrophobicContact CG-CG2 4.06Å; V937-V939 PolarHBondContact O-N 2.93Å; V939-S941 PolarHBondContact O-N 3.23Å
940	P	48.4	Very low	63.4	Low	107 Å²	107	111 Å²	111	70%	0.695	60%	0.602	S	S	*	*			trans	-70.3	119.7	175.1	28.2	-33.1	0	0	0	110.5	T942	P940-T942 PolarHBondContact O-N 2.89Å
941	S	40.2	Very low	62.1	Low	111 Å²	111	115.1 Å²	115.1	78%	0.776	63%	0.627	S	S	*	*			trans	-64.3	113.9	-174	-176	0	0	0	0	113.1	V939 A943	V939-S941 PolarHBondContact O-N 3.23Å; S941-A943 VanDerWaalsContact C-N 3.32Å; S941-A943 PolarHBondContact O-N 3.22Å
942	T	48.1	Very low	60.5	Low	144 Å²	144	117.6 Å²	117.6	88%	0.883	64%	0.641	S	S	*	*			trans	-88.6	63.8	173.9	54	0	0	0	0	111.4	P940	P940-T942 PolarHBondContact O-N 2.89Å
943	A	35	Very low	58.6	Low	66 Å²	66	123.5 Å²	123.5	55%	0.545	67%	0.674	S	S	.	*			trans	-139.4	75.6	-179.1	0	0	0	0	0	112.3	S941	S941-A943 VanDerWaalsContact C-N 3.32Å; S941-A943 PolarHBondContact O-N 3.22Å
944	H	38	Very low	56.5	Low	191 Å²	191	132.4 Å²	132.4	88%	0.884	72%	0.722	S	S	*	*			trans	178.1	66.1	144.7	-94.3	-58	0	0	0	111
945	I	39.1	Very low	54.4	Low	149 Å²	149	131.1 Å²	131.1	76%	0.764	74%	0.735	S	S	*	*	S	Bend	trans	-136.6	131.3	159.4	-57.2	-179.6	0	0	0	105.5
946	F	31.6	Very low	51.8	Low	197 Å²	197	129.5 Å²	129.5	86%	0.864	74%	0.737	S	S	*	*			trans	61.5	101	-160.6	-52.3	-81.8	0	0	0	111.7
947	T	35.6	Very low	49.2	Very low	215 Å²	215	127 Å²	127	100%	1.319	74%	0.742	S	S	*	*				-133.9	0	53	50.9	0	0	0	0	113.7

Retrieved 947 of 947 residues in 1024.4 ms (Link to these results)

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