A0A077ZI21_TRITR Loading...

PHD and FYRN and SET and zf-HC5HC2H domain contai ning protein

AlphaFold DB , UniProt , Accession A0A077ZI21, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,180 aa.

						>A0A077ZI21_TRITR|A0A077ZI21
MLNNHLAPDVAKHKEDDEYIHSAAVTVHSYLKLCGSFGKGVEGYMVACMQCGQCYHTYCANLNYVIVNRGWRCLDCTVCEGCGRGDDEQYLLLCDECDISYHTYCLSPPLDAIPQGAWRCKWCSSCHFCGVSLSNGSMELIGNLRACPKCASLFSCRFCQAEYKEDDLIILCDVCHRWSHASCNGLTSDEMLSKAADAGFVCVLCRPGSGAAIGDESFSTCVKTRTEKRLIKLFRFCCFLTKKLLTYFRGVPLLSELNDAESATCEAAVPNVCTDLSTIDSVADRQKRSRTRKQCKIGIGGFHARLSRQRPEKPLSETVPTGDATADKPKKRKRTRRKALLEDLYPRYIQVRSFCSFVKYQVTFLALGFFFRYRFESARHRFNRPYCSLRIPAQPYAHAGLPSGEEQMIKRCASQGQGDMKNHLERWEQDEPLGNRASIAAVLYANLNFPDLKRRYPVWNDRVKRIAKLWRSLKQDARQRYVQMARVNRSAMRLETKARNKAIMAGHHDSSSSSKGMTVAQTQVTSGSSMQSQSEPEDWLMQIQFNLVRQQNALERELAQLRRTKKSTSSKQRQMRKNGIEPPQADQQALANLSERIAERQKQLDRIRKQLKQNTSAMTEEREKRESVGSLSSSSVDSSLCQVPPSIPIQPPPYSQIRQKTMTDDETRMEKKLKGARWQIYSTCQKSLSKVRLANSPESVFRTFHSSARARPFTFDALQLWKEMLPVLWQPFGLPPDTRQCQLCSDVGDGVSEVCGRLLNMDAGRWVHVNCALWSAEVYETMDGGLVNVEQAARRAAISRCALCNHAGATIPCYKLRCNSTFHLKCAVDSRCTFLLDKVSNNVLTNLAVYRKVFIDRDENKLLAKLYQQGQSGGEWAMRIGTLIFHHVGQLLPEQLPNFHTRDFVYPVGYSVSRVYWSISHPKRRQVYHCHIDDVDGQPMFSVTVKNAAAVDQKFQSRCLTGSGEGLFGLTEPGIQKMLESVRALLLLPHKLNAATAHSIQSLLAFSGLSSDSLFYSFGNRQSMVAKCTNYRKLKQEWPNNVYLARSKIQGLGLFAKRDIEMNAMVIEYIGEVIRNEVAERREKRYQERNRGVYMFRLDSDWVIDATMAGGPARYINHSCDPNCIAERIELDREARIVIMSCRPICKGEELTYDYQFDFEDDTSKLPCLCNAPNCRKWMN
					

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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	22.6	Very low	25.1	Very low	238 Å²	238	146.5 Å²	146.5	100%	1.172	83%	0.83	S	S	*	*				0	135.5	0	-72.2	-73.4	-164.2	0	0	107.3
2	L	25.3	Very low	25	Very low	180 Å²	180	149.8 Å²	149.8	94%	0.942	83%	0.829	S	S	*	*			trans	89.3	129.4	-179	-68.1	150.1	0	0	0	118.2
3	N	22.9	Very low	25.2	Very low	129 Å²	129	152.8 Å²	152.8	69%	0.69	83%	0.832	S	S	*	*			trans	-69.3	151.5	-169.5	-71.5	-51.8	0	0	0	113.7
4	N	25.3	Very low	25.2	Very low	170 Å²	170	154.2 Å²	154.2	91%	0.909	83%	0.826	S	S	*	*				-158.4	113.7	127.1	-94.4	-25.3	0	0	0	110.9
5	H	24.4	Very low	25.2	Very low	147 Å²	147	156.1 Å²	156.1	68%	0.681	83%	0.828	S	S	*	*			trans	-88.9	172.4	167.5	-83.9	-72.4	0	0	0	109.9
6	L	25.8	Very low	25.3	Very low	176 Å²	176	154.8 Å²	154.8	92%	0.921	82%	0.822	S	S	*	*			trans	94	128	173.1	-50.3	160.3	0	0	0	112
7	A	27.6	Very low	25.3	Very low	88 Å²	88	154.1 Å²	154.1	73%	0.727	82%	0.818	S	S	*	*			cis	-148.4	164.9	27.5	0	0	0	0	0	112.7
8	P	25.4	Very low	25.3	Very low	122 Å²	122	154.4 Å²	154.4	79%	0.792	81%	0.814	S	S	*	*			trans	-98.7	131.5	166.3	33.9	-23.1	0	0	0	111.4
9	D	28.2	Very low	25.3	Very low	153 Å²	153	154.7 Å²	154.7	82%	0.818	80%	0.804	S	S	*	*			trans	-121.6	124.4	171.7	-94.9	-38	0	0	0	113.3
10	V	24.2	Very low	25.2	Very low	108 Å²	108	152.5 Å²	152.5	66%	0.655	79%	0.792	S	S	*	*			trans	40	95.6	146	-164.4	0	0	0	0	118.7	K12	V10-K12 HydrophobicContact CG1-CB 4.38Å; V10-K12 HydrophobicContact CG1-CD 4.35Å; V10-K12 HydrophobicContact CG1-CG 4.03Å
11	A	24.4	Very low	25.4	Very low	100 Å²	100	150.8 Å²	150.8	83%	0.826	78%	0.78	S	S	*	*			trans	-83.4	120.4	146.1	0	0	0	0	0	109.3
12	K	23.4	Very low	25.8	Very low	186 Å²	186	143 Å²	143	81%	0.809	75%	0.75	S	S	*	*			trans	-131.7	85.5	162.3	-90.4	-176.9	177	174.4	0	106.9	V10	V10-K12 HydrophobicContact CG1-CB 4.38Å; V10-K12 HydrophobicContact CG1-CD 4.35Å; V10-K12 HydrophobicContact CG1-CG 4.03Å
13	H	28.5	Very low	26	Very low	189 Å²	189	135.1 Å²	135.1	88%	0.875	71%	0.71	S	S	*	*			trans	-111.8	114.1	162.7	-84	-74.2	0	0	0	107.4
14	K	25.4	Very low	26.6	Very low	173 Å²	173	130.1 Å²	130.1	75%	0.752	69%	0.687	S	S	*	*			trans	-63.7	132.6	175.4	-73.4	174.7	171.1	-179.6	0	108.7	D16	K14-D16 PolarHBondContact O-N 3.13Å
15	E	25.3	Very low	27.1	Very low	182 Å²	182	122 Å²	122	85%	0.85	64%	0.644	S	S	*	*			trans	-71.1	101.4	160.6	-73.2	160.7	165.6	0	0	106.9	D17	E15-D17 PolarHBondContact O-N 2.87Å
16	D	26.5	Very low	28	Very low	136 Å²	136	115.8 Å²	115.8	73%	0.727	62%	0.616	S	S	*	*			trans	-89.2	97.3	168.5	-74.3	-36.5	0	0	0	108	K14 E18	K14-D16 PolarHBondContact O-N 3.13Å; D16-E18 PolarHBondContact O-N 2.98Å
17	D	25.3	Very low	28.6	Very low	143 Å²	143	111.7 Å²	111.7	77%	0.765	60%	0.598	S	S	*	*			trans	-68.7	94.3	163	-78.8	-39.1	0	0	0	109.8	E15	E15-D17 PolarHBondContact O-N 2.87Å
18	E	24.9	Very low	29.3	Very low	160 Å²	160	109.7 Å²	109.7	75%	0.748	57%	0.574	S	S	*	*			trans	-161.2	71.4	157.5	-110.9	176.3	-157.2	0	0	108.2	D16 I20	D16-E18 PolarHBondContact O-N 2.98Å; E18-I20 VanDerWaalsContact C-N 3.29Å; E18-I20 PolarHBondContact O-N 3.11Å
19	Y	25.3	Very low	30.1	Very low	159 Å²	159	104.6 Å²	104.6	62%	0.624	54%	0.541	S	S	*	.			trans	-75.7	87	175.4	-76	-78.8	0	0	0	110.5	H21	Y19-H21 PolarHBondContact O-N 3.48Å; Y19-H21 VanDerWaalsContact O-N 3.17Å
20	I	23.4	Very low	31.2	Very low	110 Å²	110	98.2 Å²	98.2	56%	0.564	51%	0.505	S	S	*	.			trans	-58	115.9	162.3	-67.7	-179.9	0	0	0	108.4	E18 S22 E859	E18-I20 VanDerWaalsContact C-N 3.29Å; E18-I20 PolarHBondContact O-N 3.11Å; I20-S22 PolarHBondContact O-N 2.89Å; I20-S22 VanDerWaalsContact O-N 3.14Å; I20-E859 HydrophobicContact CG2-CG 4.45Å; I20-E859 WeakPolarHBondContact CG2-OE1 3.42Å; I20-E859 WeakPolarHBondContact CG2-OE2 3.46Å
21	H	30.3	Very low	32.3	Very low	117 Å²	117	93.5 Å²	93.5	54%	0.542	48%	0.476	S	S	.	.			trans	-58.6	109.8	166.5	-79.5	-90.5	0	0	0	107.9	Y19 A23	Y19-H21 PolarHBondContact O-N 3.48Å; Y19-H21 VanDerWaalsContact O-N 3.17Å; H21-A23 VanDerWaalsContact C-N 3.27Å; H21-A23 PolarHBondContact O-N 3.13Å
22	S	29.7	Very low	33.5	Very low	76 Å²	76	92 Å²	92	53%	0.531	45%	0.451	S	S	.	.			trans	-59.4	99.4	162.5	39	0	0	0	0	107.8	I20 A24	I20-S22 PolarHBondContact O-N 2.89Å; I20-S22 VanDerWaalsContact O-N 3.14Å; S22-A24 PolarHBondContact O-N 3.44Å
23	A	29.8	Very low	34.6	Very low	13 Å²	13	87.6 Å²	87.6	11%	0.107	44%	0.436	C	S	.	.			trans	-60.8	102.1	169.4	0	0	0	0	0	106.9	H21 V25 L863 M878	H21-A23 VanDerWaalsContact C-N 3.27Å; H21-A23 PolarHBondContact O-N 3.13Å; A23-V25 PolarHBondContact O-N 3.33Å; A23-L863 HydrophobicContact CB-CD2 3.75Å; A23-M878 HydrophobicContact CB-CG 3.89Å; A23-M878 HydrophobicContact CB-SD 3.71Å
24	A	35.9	Very low	35.7	Very low	24 Å²	24	79.8 Å²	79.8	20%	0.198	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	111.5	176.6	0	0	0	0	0	108	S22 T26 M878 R879	S22-A24 PolarHBondContact O-N 3.44Å; A24-T26 PolarHBondContact O-N 2.92Å; A24-M878 WeakPolarHBondContact O-CA 3.21Å; A24-R879 HydrophobicContact CB-CB 4.41Å; A24-R879 PolarHBondContact N-O 3.05Å; A24-R879 PolarHBondContact O-N 3.06Å
25	V	36.3	Very low	37.1	Very low	1 Å²	1	72.3 Å²	72.3	1%	0.006	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	100	169.4	-179.7	0	0	0	0	107.4	A23 L866 W876	A23-V25 PolarHBondContact O-N 3.33Å; V25-L866 HydrophobicContact CB-CD1 4.49Å; V25-L866 HydrophobicContact CB-CD2 4.02Å; V25-L866 HydrophobicContact CG1-CD2 3.34Å; V25-L866 HydrophobicContact CG2-CD1 3.2Å; V25-L866 HydrophobicContact CG2-CD2 3.46Å; V25-L866 VanDerWaalsContact CG2-CD2 3.46Å; V25-L866 HydrophobicContact CG2-CG 3.93Å; V25-W876 HydrophobicContact CG1-CE3 4.1Å
26	T	41.6	Very low	38.9	Very low	15 Å²	15	64.5 Å²	64.5	9%	0.092	34%	0.34	C	S	.	.	S	Bend	trans	168.6	158	162.9	20.8	0	0	0	0	112.2	A24 H28 Y30 W766 W876 A877	A24-T26 PolarHBondContact O-N 2.92Å; T26-H28 PolarHBondContact O-N 3.15Å; T26-Y30 VanDerWaalsContact CB-CE2 3.5Å; T26-Y30 HydrophobicContact CG2-CE2 4.45Å; T26-Y30 WeakPolarHBondContact OG1-CE2 3.15Å; T26-Y30 VanDerWaalsContact OG1-CZ 3.25Å; T26-Y30 PolarHBondContact OG1-OH 3.03Å; T26-W766 HydrophobicContact CG2-CZ2 4.34Å; T26-W876 HydrophobicContact CG2-CZ3 4.33Å; T26-A877 PolarHBondContact N-O 2.79Å
27	V	39	Very low	40.4	Very low	91 Å²	91	59.2 Å²	59.2	55%	0.552	31%	0.311	S	S	*	.	S	Bend	trans	-68.2	-12.7	177	-175.1	0	0	0	0	112.9	E875	V27-E875 WeakPolarHBondContact CG2-O 3.31Å
28	H	43.3	Very low	41.9	Very low	46 Å²	46	53.4 Å²	53.4	21%	0.213	28%	0.284	C	S	.	.	S	Bend	trans	-103	160.2	-171.2	-60.4	-135	0	0	0	112.1	T26 Y30 F37	T26-H28 PolarHBondContact O-N 3.15Å; H28-Y30 VanDerWaalsContact C-CE2 3.43Å; H28-Y30 HydrophobicContact CB-CE2 3.68Å; H28-Y30 WeakPolarHBondContact O-CD2 3.38Å; H28-Y30 WeakPolarHBondContact O-CE2 3.33Å; H28-F37 HydrophobicContact CB-CZ 3.96Å
29	S	41.8	Very low	43.4	Very low	14 Å²	14	52 Å²	52	10%	0.098	28%	0.276	C	S	.	.			trans	-82.3	115.9	-179.1	55	0	0	0	0	112.6
30	Y	50.4	Low	44.7	Very low	20 Å²	20	47.7 Å²	47.7	8%	0.078	28%	0.279	C	S	.	.			trans	-117.2	160.7	177.3	-54.2	-86.6	0	0	0	112.9	T26 H28 F37	T26-Y30 VanDerWaalsContact CB-CE2 3.5Å; T26-Y30 HydrophobicContact CG2-CE2 4.45Å; T26-Y30 WeakPolarHBondContact OG1-CE2 3.15Å; T26-Y30 VanDerWaalsContact OG1-CZ 3.25Å; T26-Y30 PolarHBondContact OG1-OH 3.03Å; H28-Y30 VanDerWaalsContact C-CE2 3.43Å; H28-Y30 HydrophobicContact CB-CE2 3.68Å; H28-Y30 WeakPolarHBondContact O-CD2 3.38Å; H28-Y30 WeakPolarHBondContact O-CE2 3.33Å; Y30-F37 HydrophobicContact CD1-CD2 4.16Å; Y30-F37 AromaticContact CD1-CE2 3.89Å; Y30-F37 HydrophobicContact CD1-CE2 3.89Å; Y30-F37 HydrophobicContact CD1-CZ 4.49Å; Y30-F37 AromaticContact CE1-CD2 3.8Å; Y30-F37 HydrophobicContact CE1-CD2 3.8Å; Y30-F37 AromaticContact CE1-CE2 3.21Å; Y30-F37 HydrophobicContact CE1-CE2 3.21Å; Y30-F37 AromaticContact CE1-CZ 3.93Å; Y30-F37 HydrophobicContact CE1-CZ 3.93Å; Y30-F37 AromaticContact CZ-CE2 3.86Å
31	L	47.5	Very low	45.8	Very low	9 Å²	9	45.4 Å²	45.4	5%	0.047	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-87.8	143.7	-171.8	-144.7	83.5	0	0	0	115.1	L33 C34 G35 M45 C54 Y55 H56	L31-L33 HydrophobicContact CD2-CB 4.4Å; L31-C34 HydrophobicContact CD2-CB 4.35Å; L31-C34 WeakPolarHBondContact CD2-SG 3.13Å; L31-G35 VanDerWaalsContact O-CA 3.23Å; L31-G35 WeakPolarHBondContact O-CA 3.5Å; L31-G35 PolarHBondContact O-N 3.42Å; L31-G35 VanDerWaalsContact O-N 3.11Å; L31-M45 HydrophobicContact CD1-CG 4Å; L31-M45 HydrophobicContact CD1-SD 4.02Å; L31-C54 HydrophobicContact CD1-CB 3.92Å; L31-C54 WeakPolarHBondContact CD1-O 3.4Å; L31-C54 WeakPolarHBondContact CG-O 3.08Å; L31-Y55 VanDerWaalsContact CD1-C 3.48Å; L31-H56 HydrophobicContact CD2-CB 4.33Å; L31-H56 WeakPolarHBondContact CD2-ND1 3.4Å
32	K	49.2	Very low	46.9	Very low	67 Å²	67	44.7 Å²	44.7	29%	0.291	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-46.9	175	-169.1	-176.2	-173.3	-179.3	0	113.4	Q53 C54 Y55 D75	K32-Q53 HydrophobicContact CB-CB 4.3Å; K32-Q53 HydrophobicContact CD-CB 4.41Å; K32-Q53 HydrophobicContact CD-CG 4.17Å; K32-C54 PolarHBondContact N-O 3.29Å; K32-Y55 HydrophobicContact CB-CE1 4.2Å; K32-Y55 HydrophobicContact CD-CE1 4.39Å; K32-Y55 VanDerWaalsContact CD-OH 3.25Å; K32-Y55 WeakPolarHBondContact CD-OH 3.23Å; K32-D75 IonicContact NZ-OD2 3.11Å; K32-D75 PolarHBondContact NZ-OD2 3.45Å
33	L	47.3	Very low	48	Very low	95 Å²	95	41.7 Å²	41.7	50%	0.497	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-49	-167.6	-128.9	85.1	0	0	0	112.6	L31 Y55 C59	L31-L33 HydrophobicContact CD2-CB 4.4Å; L33-Y55 HydrophobicContact CB-CD1 4.25Å; L33-Y55 HydrophobicContact CD1-CD1 3.85Å; L33-Y55 HydrophobicContact CD1-CE1 3.56Å; L33-C59 HydrophobicContact CB-CB 4.46Å; L33-C59 HydrophobicContact CD2-CB 4.1Å
34	C	52	Low	49.4	Very low	24 Å²	24	42.5 Å²	42.5	16%	0.162	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-6.7	-176.1	78.7	0	0	0	0	113.1	L31 S36 H56 R757	L31-C34 HydrophobicContact CD2-CB 4.35Å; L31-C34 WeakPolarHBondContact CD2-SG 3.13Å; C34-S36 PolarHBondContact O-N 3.45Å; C34-H56 PolarHBondContact SG-CE1 3.44Å; C34-H56 PolarHBondContact SG-ND1 2.87Å; C34-R757 WeakPolarHBondContact O-CD 3.48Å; C34-R757 PolarHBondContact O-NE 2.67Å; C34-R757 VanDerWaalsContact O-NE 3.11Å; C34-R757 PolarHBondContact O-NH1 3.05Å
35	G	55.2	Low	50.9	Low	17 Å²	17	41.6 Å²	41.6	18%	0.175	24%	0.241	C	C	.	.			trans	58.2	8	179.6	0	0	0	0	0	116.9	L31	L31-G35 VanDerWaalsContact O-CA 3.23Å; L31-G35 WeakPolarHBondContact O-CA 3.5Å; L31-G35 PolarHBondContact O-N 3.42Å; L31-G35 VanDerWaalsContact O-N 3.11Å
36	S	61.7	Low	52.4	Low	17 Å²	17	41.7 Å²	41.7	12%	0.119	24%	0.241	C	C	.	.			trans	-92.5	147.5	179.5	175.5	0	0	0	0	110.1	C34 G38 H56 D749	C34-S36 PolarHBondContact O-N 3.45Å; S36-G38 PolarHBondContact O-N 3.48Å; S36-G38 PolarHBondContact OG-N 2.99Å; S36-H56 PolarHBondContact O-CE1 3.06Å; S36-H56 PolarHBondContact O-NE2 3.43Å; S36-D749 WeakPolarHBondContact CA-OD2 3.41Å; S36-D749 VanDerWaalsContact CB-OD2 3.24Å; S36-D749 WeakPolarHBondContact CB-OD2 3.46Å; S36-D749 PolarHBondContact OG-OD2 3.49Å
37	F	59.2	Low	53.6	Low	26 Å²	26	42.3 Å²	42.3	11%	0.114	25%	0.248	C	C	.	.			trans	-65.1	-23.2	164.7	-98.5	-79.9	0	0	0	110.9	H28 Y30 H56 L734 D737 D749	H28-F37 HydrophobicContact CB-CZ 3.96Å; Y30-F37 HydrophobicContact CD1-CD2 4.16Å; Y30-F37 AromaticContact CD1-CE2 3.89Å; Y30-F37 HydrophobicContact CD1-CE2 3.89Å; Y30-F37 HydrophobicContact CD1-CZ 4.49Å; Y30-F37 AromaticContact CE1-CD2 3.8Å; Y30-F37 HydrophobicContact CE1-CD2 3.8Å; Y30-F37 AromaticContact CE1-CE2 3.21Å; Y30-F37 HydrophobicContact CE1-CE2 3.21Å; Y30-F37 AromaticContact CE1-CZ 3.93Å; Y30-F37 HydrophobicContact CE1-CZ 3.93Å; Y30-F37 AromaticContact CZ-CE2 3.86Å; F37-H56 PolarHBondContact O-NE2 3.33Å; F37-L734 HydrophobicContact CD1-CD1 4.17Å; F37-L734 HydrophobicContact CE1-CD1 3.79Å; F37-D737 HydrophobicContact CD2-CB 4.47Å; F37-D737 WeakPolarHBondContact CD2-OD2 3.41Å; F37-D749 PolarHBondContact N-OD2 3.45Å
38	G	56.5	Low	55	Low	20 Å²	20	38 Å²	38	21%	0.206	22%	0.222	C	C	.	.			trans	72.7	152.6	-168.5	0	0	0	0	0	111	S36 H56	S36-G38 PolarHBondContact O-N 3.48Å; S36-G38 PolarHBondContact OG-N 2.99Å; G38-H56 PolarHBondContact N-NE2 3.41Å
39	K	55.4	Low	56.2	Low	131 Å²	131	39.1 Å²	39.1	57%	0.57	23%	0.228	S	C	*	.			trans	-116.7	134.4	173.5	-79.1	-176.8	164.3	174.9	0	109.3	D749	K39-D749 WeakPolarHBondContact CE-O 3.25Å; K39-D749 PolarHBondContact NZ-O 3.06Å
40	G	52.3	Low	57.3	Low	68 Å²	68	45 Å²	45	70%	0.701	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	65.5	-143.8	178.1	0	0	0	0	0	113.6	E42 G43	G40-E42 PolarHBondContact O-N 3.5Å; G40-G43 PolarHBondContact O-N 2.69Å
41	V	48.2	Very low	57.8	Low	62 Å²	62	45.8 Å²	45.8	38%	0.376	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-66.5	-23.7	-176.6	-59.6	0	0	0	0	113.6	G43 Y44	V41-G43 PolarHBondContact O-N 2.99Å; V41-Y44 HydrophobicContact CB-CD2 4.32Å; V41-Y44 HydrophobicContact CB-CE2 3.96Å; V41-Y44 HydrophobicContact CG1-CE2 4.06Å; V41-Y44 WeakPolarHBondContact O-CD2 3.47Å; V41-Y44 PolarHBondContact O-N 3.31Å
42	E	52.1	Low	58.5	Low	102 Å²	102	45.5 Å²	45.5	48%	0.477	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-69.4	-18.1	173.4	-61.5	-177.5	170	0	0	111.9	G40 H56	G40-E42 PolarHBondContact O-N 3.5Å; E42-H56 WeakPolarHBondContact O-CB 3.41Å; E42-H56 PolarHBondContact O-CD2 3.43Å; E42-H56 VanDerWaalsContact O-CD2 3.31Å
43	G	52.3	Low	59.4	Low	13 Å²	13	43.6 Å²	43.6	13%	0.134	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-82.5	-3.7	-179.9	0	0	0	0	0	115.6	G40 V41 M45	G40-G43 PolarHBondContact O-N 2.69Å; V41-G43 PolarHBondContact O-N 2.99Å; G43-M45 PolarHBondContact O-N 3.23Å
44	Y	61.1	Low	60.2	Low	30 Å²	30	39.7 Å²	39.7	12%	0.118	23%	0.234	C	C	.	.			trans	-62	123.9	176.2	-72.9	-68.2	0	0	0	110.5	V41 H56 T57 W721 L728 Q730	V41-Y44 HydrophobicContact CB-CD2 4.32Å; V41-Y44 HydrophobicContact CB-CE2 3.96Å; V41-Y44 HydrophobicContact CG1-CE2 4.06Å; V41-Y44 WeakPolarHBondContact O-CD2 3.47Å; V41-Y44 PolarHBondContact O-N 3.31Å; Y44-H56 CarbonylContact O-C 3.6Å; Y44-H56 VanDerWaalsContact O-CA 3.31Å; Y44-H56 WeakPolarHBondContact O-CA 3.47Å; Y44-T57 PolarHBondContact O-N 2.96Å; Y44-W721 HydrophobicContact CD2-CH2 4.25Å; Y44-W721 HydrophobicContact CE1-CH2 4.35Å; Y44-W721 HydrophobicContact CE1-CZ3 4.06Å; Y44-W721 AromaticContact CE2-CH2 3.27Å; Y44-W721 HydrophobicContact CE2-CH2 3.27Å; Y44-W721 HydrophobicContact CE2-CZ2 4.16Å; Y44-W721 AromaticContact CE2-CZ3 3.83Å; Y44-W721 HydrophobicContact CE2-CZ3 3.83Å; Y44-W721 AromaticContact CZ-CH2 3.36Å; Y44-W721 AromaticContact CZ-CZ3 3.41Å; Y44-W721 VanDerWaalsContact CZ-CZ3 3.41Å; Y44-W721 WeakPolarHBondContact OH-CH2 3.12Å; Y44-W721 WeakPolarHBondContact OH-CZ3 3.23Å; Y44-L728 HydrophobicContact CD1-CD1 4.26Å; Y44-L728 HydrophobicContact CG-CD1 4.29Å; Y44-Q730 HydrophobicContact CD1-CB 4.13Å; Y44-Q730 HydrophobicContact CD1-CG 4.35Å; Y44-Q730 HydrophobicContact CE1-CB 3.79Å; Y44-Q730 HydrophobicContact CE1-CG 3.7Å; Y44-Q730 PolarHBondContact OH-NE2 2.86Å
45	M	66.3	Low	60.8	Low	5 Å²	5	38.8 Å²	38.8	3%	0.025	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	138.1	-178.8	-69.4	-175.7	-76.5	0	0	111.3	L31 G43 C54 Y55 L728 W729	L31-M45 HydrophobicContact CD1-CG 4Å; L31-M45 HydrophobicContact CD1-SD 4.02Å; G43-M45 PolarHBondContact O-N 3.23Å; M45-C54 HydrophobicContact CB-CB 4.45Å; M45-C54 HydrophobicContact SD-CB 4.06Å; M45-Y55 CarbonylContact C-O 3.57Å; M45-Y55 WeakPolarHBondContact CA-O 3.3Å; M45-L728 WeakPolarHBondContact O-CA 3.42Å; M45-W729 HydrophobicContact CE-CE3 4.11Å; M45-W729 PolarHBondContact O-N 3.08Å
46	V	67.6	Low	61.4	Low	3 Å²	3	38.4 Å²	38.4	2%	0.018	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.9	165	63.8	0	0	0	0	108.8	C54 Y55 L62 W71	V46-C54 CarbonylContact O-C 3.56Å; V46-C54 VanDerWaalsContact O-CA 3.3Å; V46-C54 WeakPolarHBondContact O-CA 3.34Å; V46-Y55 WeakPolarHBondContact CG1-O 3.5Å; V46-Y55 PolarHBondContact N-O 2.9Å; V46-Y55 PolarHBondContact O-N 3.16Å; V46-L62 HydrophobicContact CB-CD1 3.7Å; V46-L62 HydrophobicContact CG1-CD1 3.23Å; V46-L62 HydrophobicContact CG1-CG 4.14Å; V46-L62 HydrophobicContact CG2-CD1 3.78Å; V46-W71 HydrophobicContact CG1-CD2 4.45Å; V46-W71 HydrophobicContact CG1-CE3 3.91Å; V46-W71 HydrophobicContact CG1-CZ3 4.02Å; V46-W71 HydrophobicContact CG2-CB 4.4Å; V46-W71 HydrophobicContact CG2-CE3 4.1Å
47	A	66.3	Low	61.6	Low	29 Å²	29	39 Å²	39	24%	0.24	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	133.9	174.6	0	0	0	0	0	110.3	M49 Q53	A47-M49 PolarHBondContact O-N 2.89Å; A47-Q53 CarbonylContact C-O 3.47Å; A47-Q53 WeakPolarHBondContact CA-O 3.16Å
48	C	69.7	Low	61.7	Low	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.247	C	C	.	.			trans	-54.4	134.4	172.1	173.7	0	0	0	0	110.1	Q50 C51 G52 Q53 Y55 W71 C73 R925	C48-Q50 PolarHBondContact O-N 3.39Å; C48-Q50 PolarHBondContact SG-N 3.46Å; C48-Q50 VanDerWaalsContact SG-N 3.37Å; C48-C51 WeakPolarHBondContact CB-SG 3.42Å; C48-C51 PolarHBondContact SG-N 2.95Å; C48-C51 PolarHBondContact SG-SG 3.03Å; C48-G52 WeakPolarHBondContact O-CA 3.45Å; C48-G52 PolarHBondContact O-N 3.38Å; C48-Q53 PolarHBondContact N-O 2.95Å; C48-Y55 HydrophobicContact CB-CE2 4.15Å; C48-W71 CarbonylContact C-O 3.56Å; C48-W71 WeakPolarHBondContact CA-O 3.41Å; C48-W71 HydrophobicContact CB-CE3 4.35Å; C48-W71 HydrophobicContact CB-CZ3 3.98Å; C48-C73 HydrophobicContact CB-CB 4.24Å; C48-C73 PolarHBondContact SG-N 3.43Å; C48-C73 VanDerWaalsContact SG-N 3.42Å; C48-C73 VanDerWaalsContact SG-SG 3.69Å; C48-R925 PolarHBondContact O-NH2 3.41Å
49	M	67.7	Low	62	Low	70 Å²	70	46.3 Å²	46.3	35%	0.345	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-36	178.2	-171.3	73.8	-174.4	0	0	111.8	A47 W71 R72 W917	A47-M49 PolarHBondContact O-N 2.89Å; M49-W71 WeakPolarHBondContact CB-O 3.49Å; M49-W71 PolarHBondContact N-O 2.99Å; M49-R72 HydrophobicContact CB-CG 4.08Å; M49-W917 HydrophobicContact CE-CH2 4.18Å; M49-W917 HydrophobicContact CE-CZ2 3.29Å; M49-W917 HydrophobicContact SD-CH2 4.04Å; M49-W917 HydrophobicContact SD-CZ2 3.24Å; M49-W917 WeakPolarHBondContact SD-CZ2 3.05Å
50	Q	64.4	Low	62.4	Low	138 Å²	138	41 Å²	41	65%	0.645	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-60.6	-171.8	-174.3	70.6	-6.3	0	0	112.4	C48 C76	C48-Q50 PolarHBondContact O-N 3.39Å; C48-Q50 PolarHBondContact SG-N 3.46Å; C48-Q50 VanDerWaalsContact SG-N 3.37Å; Q50-C76 HydrophobicContact CB-CB 3.71Å; Q50-C76 HydrophobicContact CG-CB 4.02Å
51	C	62.2	Low	63	Low	35 Å²	35	44.2 Å²	44.2	24%	0.236	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-10.6	-177.4	66.1	0	0	0	0	113.9	C48 Q53 C73 C76 T882	C48-C51 WeakPolarHBondContact CB-SG 3.42Å; C48-C51 PolarHBondContact SG-N 2.95Å; C48-C51 PolarHBondContact SG-SG 3.03Å; C51-Q53 HydrophobicContact CB-CG 4.14Å; C51-Q53 PolarHBondContact O-N 2.87Å; C51-Q53 VanDerWaalsContact SG-CB 3.55Å; C51-Q53 WeakPolarHBondContact SG-CG 3.38Å; C51-C73 VanDerWaalsContact SG-SG 3.62Å; C51-C76 VanDerWaalsContact CB-SG 3.59Å; C51-T882 PolarHBondContact O-N 3.42Å
52	G	62.4	Low	63.7	Low	3 Å²	3	42 Å²	42	3%	0.031	22%	0.219	C	C	.	.			trans	55.4	16	-175.8	0	0	0	0	0	116.3	C48 C54 T882	C48-G52 WeakPolarHBondContact O-CA 3.45Å; C48-G52 PolarHBondContact O-N 3.38Å; G52-C54 PolarHBondContact O-N 3.01Å; G52-T882 VanDerWaalsContact CA-CG2 3.43Å
53	Q	66.5	Low	63.9	Low	28 Å²	28	39 Å²	39	13%	0.131	21%	0.206	C	C	.	.			trans	-58.2	133.6	163.8	-65.8	-71.6	-0.3	0	0	108.8	K32 A47 C48 C51 Y55 G881	K32-Q53 HydrophobicContact CB-CB 4.3Å; K32-Q53 HydrophobicContact CD-CB 4.41Å; K32-Q53 HydrophobicContact CD-CG 4.17Å; A47-Q53 CarbonylContact C-O 3.47Å; A47-Q53 WeakPolarHBondContact CA-O 3.16Å; C48-Q53 PolarHBondContact N-O 2.95Å; C51-Q53 HydrophobicContact CB-CG 4.14Å; C51-Q53 PolarHBondContact O-N 2.87Å; C51-Q53 VanDerWaalsContact SG-CB 3.55Å; C51-Q53 WeakPolarHBondContact SG-CG 3.38Å; Q53-Y55 HydrophobicContact CB-CD2 4.4Å; Q53-Y55 HydrophobicContact CB-CE2 3.52Å; Q53-Y55 WeakPolarHBondContact O-CD2 3.12Å; Q53-Y55 VanDerWaalsContact O-CE2 3.24Å; Q53-Y55 WeakPolarHBondContact O-CE2 3.46Å; Q53-G881 VanDerWaalsContact CD-CA 3.4Å; Q53-G881 VanDerWaalsContact NE2-N 3.15Å
54	C	65.4	Low	63.8	Low	13 Å²	13	40 Å²	40	9%	0.088	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	144.2	176.8	-63.3	0	0	0	0	109.7	L31 K32 M45 V46 G52	L31-C54 HydrophobicContact CD1-CB 3.92Å; L31-C54 WeakPolarHBondContact CD1-O 3.4Å; L31-C54 WeakPolarHBondContact CG-O 3.08Å; K32-C54 PolarHBondContact N-O 3.29Å; M45-C54 HydrophobicContact CB-CB 4.45Å; M45-C54 HydrophobicContact SD-CB 4.06Å; V46-C54 CarbonylContact O-C 3.56Å; V46-C54 VanDerWaalsContact O-CA 3.3Å; V46-C54 WeakPolarHBondContact O-CA 3.34Å; G52-C54 PolarHBondContact O-N 3.01Å
55	Y	65.2	Low	63.4	Low	5 Å²	5	39.8 Å²	39.8	2%	0.02	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	141.5	176.5	-60.2	-105.6	0	0	0	109	L31 K32 L33 M45 V46 C48 Q53 W71 C73	L31-Y55 VanDerWaalsContact CD1-C 3.48Å; K32-Y55 HydrophobicContact CB-CE1 4.2Å; K32-Y55 HydrophobicContact CD-CE1 4.39Å; K32-Y55 VanDerWaalsContact CD-OH 3.25Å; K32-Y55 WeakPolarHBondContact CD-OH 3.23Å; L33-Y55 HydrophobicContact CB-CD1 4.25Å; L33-Y55 HydrophobicContact CD1-CD1 3.85Å; L33-Y55 HydrophobicContact CD1-CE1 3.56Å; M45-Y55 CarbonylContact C-O 3.57Å; M45-Y55 WeakPolarHBondContact CA-O 3.3Å; V46-Y55 WeakPolarHBondContact CG1-O 3.5Å; V46-Y55 PolarHBondContact N-O 2.9Å; V46-Y55 PolarHBondContact O-N 3.16Å; C48-Y55 HydrophobicContact CB-CE2 4.15Å; Q53-Y55 HydrophobicContact CB-CD2 4.4Å; Q53-Y55 HydrophobicContact CB-CE2 3.52Å; Q53-Y55 WeakPolarHBondContact O-CD2 3.12Å; Q53-Y55 VanDerWaalsContact O-CE2 3.24Å; Q53-Y55 WeakPolarHBondContact O-CE2 3.46Å; Y55-W71 AromaticContact CD1-CH2 3.87Å; Y55-W71 HydrophobicContact CD1-CH2 3.87Å; Y55-W71 AromaticContact CD2-CH2 3.21Å; Y55-W71 HydrophobicContact CD2-CH2 3.21Å; Y55-W71 AromaticContact CD2-CZ3 3.22Å; Y55-W71 HydrophobicContact CD2-CZ3 3.22Å; Y55-W71 HydrophobicContact CE1-CH2 4.22Å; Y55-W71 AromaticContact CE2-CH2 3.57Å; Y55-W71 HydrophobicContact CE2-CH2 3.57Å; Y55-W71 AromaticContact CE2-CZ3 3.67Å; Y55-W71 HydrophobicContact CE2-CZ3 3.67Å; Y55-W71 AromaticContact CG-CH2 3.35Å; Y55-W71 HydrophobicContact CG-CH2 3.35Å; Y55-W71 HydrophobicContact CG-CZ2 4.46Å; Y55-W71 AromaticContact CG-CZ3 3.79Å; Y55-W71 HydrophobicContact CG-CZ3 3.79Å; Y55-C73 HydrophobicContact CD2-CB 4.43Å; Y55-C73 HydrophobicContact CE1-CB 4.01Å; Y55-C73 HydrophobicContact CE2-CB 3.52Å; Y55-C73 WeakPolarHBondContact OH-CB 3.39Å; Y55-C73 PolarHBondContact OH-SG 2.98Å
56	H	67.1	Low	63	Low	8 Å²	8	40 Å²	40	4%	0.037	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	139.9	169.8	-67.4	132	0	0	0	107.4	L31 C34 S36 F37 G38 E42 Y44 Y58 C59 A60	L31-H56 HydrophobicContact CD2-CB 4.33Å; L31-H56 WeakPolarHBondContact CD2-ND1 3.4Å; C34-H56 PolarHBondContact SG-CE1 3.44Å; C34-H56 PolarHBondContact SG-ND1 2.87Å; S36-H56 PolarHBondContact O-CE1 3.06Å; S36-H56 PolarHBondContact O-NE2 3.43Å; F37-H56 PolarHBondContact O-NE2 3.33Å; G38-H56 PolarHBondContact N-NE2 3.41Å; E42-H56 WeakPolarHBondContact O-CB 3.41Å; E42-H56 PolarHBondContact O-CD2 3.43Å; E42-H56 VanDerWaalsContact O-CD2 3.31Å; Y44-H56 CarbonylContact O-C 3.6Å; Y44-H56 VanDerWaalsContact O-CA 3.31Å; Y44-H56 WeakPolarHBondContact O-CA 3.47Å; H56-Y58 PolarHBondContact O-N 3.19Å; H56-Y58 VanDerWaalsContact O-N 3.16Å; H56-C59 HydrophobicContact CB-CB 3.98Å; H56-C59 PolarHBondContact O-N 3.29Å; H56-A60 WeakPolarHBondContact O-CB 3.48Å; H56-A60 PolarHBondContact O-N 3.03Å
57	T	64.6	Low	62.3	Low	29 Å²	29	40.6 Å²	40.6	18%	0.178	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-36.6	172.7	50.7	0	0	0	0	110.8	Y44 N61 L62 L728	Y44-T57 PolarHBondContact O-N 2.96Å; T57-N61 PolarHBondContact O-N 3.03Å; T57-N61 VanDerWaalsContact O-N 3.13Å; T57-L62 PolarHBondContact O-N 3Å; T57-L728 HydrophobicContact CG2-CD2 3.38Å
58	Y	61.4	Low	61.6	Low	158 Å²	158	43.7 Å²	43.7	62%	0.62	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-53.9	172.6	-175.8	-99.3	0	0	0	113.2	H56 A60 N61	H56-Y58 PolarHBondContact O-N 3.19Å; H56-Y58 VanDerWaalsContact O-N 3.16Å; Y58-A60 VanDerWaalsContact C-N 3.3Å; Y58-A60 PolarHBondContact O-N 3.33Å; Y58-N61 PolarHBondContact O-N 3.1Å
59	C	63.1	Low	61.2	Low	43 Å²	43	49.3 Å²	49.3	29%	0.291	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-32.3	-178.4	-67	0	0	0	0	113.4	L33 H56 N61	L33-C59 HydrophobicContact CB-CB 4.46Å; L33-C59 HydrophobicContact CD2-CB 4.1Å; H56-C59 HydrophobicContact CB-CB 3.98Å; H56-C59 PolarHBondContact O-N 3.29Å; C59-N61 VanDerWaalsContact C-N 3.27Å
60	A	65.2	Low	61.1	Low	18 Å²	18	47.2 Å²	47.2	15%	0.149	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-4.7	175.3	0	0	0	0	0	112.7	H56 Y58 L62 W71	H56-A60 WeakPolarHBondContact O-CB 3.48Å; H56-A60 PolarHBondContact O-N 3.03Å; Y58-A60 VanDerWaalsContact C-N 3.3Å; Y58-A60 PolarHBondContact O-N 3.33Å; A60-L62 VanDerWaalsContact C-N 3.27Å; A60-L62 HydrophobicContact CB-CD2 3.37Å; A60-L62 HydrophobicContact CB-CG 3.79Å; A60-L62 WeakPolarHBondContact O-CD2 3.24Å; A60-L62 PolarHBondContact O-N 3.25Å; A60-W71 HydrophobicContact CB-CH2 3.93Å; A60-W71 HydrophobicContact CB-CZ2 3.56Å
61	N	64.5	Low	61.4	Low	137 Å²	137	41.6 Å²	41.6	73%	0.733	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	43.7	-178.9	-167.3	44.2	0	0	0	112.9	T57 Y58 C59	T57-N61 PolarHBondContact O-N 3.03Å; T57-N61 VanDerWaalsContact O-N 3.13Å; Y58-N61 PolarHBondContact O-N 3.1Å; C59-N61 VanDerWaalsContact C-N 3.27Å
62	L	62.9	Low	62	Low	15 Å²	15	43.3 Å²	43.3	8%	0.079	22%	0.217	C	C	.	.			trans	-73	135.3	-170.3	-65.1	-157.2	0	0	0	112.4	V46 T57 A60 I66 W71 Y345	V46-L62 HydrophobicContact CB-CD1 3.7Å; V46-L62 HydrophobicContact CG1-CD1 3.23Å; V46-L62 HydrophobicContact CG1-CG 4.14Å; V46-L62 HydrophobicContact CG2-CD1 3.78Å; T57-L62 PolarHBondContact O-N 3Å; A60-L62 VanDerWaalsContact C-N 3.27Å; A60-L62 HydrophobicContact CB-CD2 3.37Å; A60-L62 HydrophobicContact CB-CG 3.79Å; A60-L62 WeakPolarHBondContact O-CD2 3.24Å; A60-L62 PolarHBondContact O-N 3.25Å; L62-I66 HydrophobicContact CB-CD1 3.66Å; L62-I66 HydrophobicContact CD1-CD1 3.7Å; L62-I66 HydrophobicContact CD1-CG2 4.25Å; L62-I66 HydrophobicContact CD2-CD1 3.44Å; L62-I66 VanDerWaalsContact CD2-CD1 3.44Å; L62-I66 HydrophobicContact CG-CD1 3.76Å; L62-W71 HydrophobicContact CD1-CD2 4.35Å; L62-W71 HydrophobicContact CD1-CG 4.26Å; L62-W71 VanDerWaalsContact CD2-CD1 3.48Å; L62-W71 HydrophobicContact CD2-CD2 3.92Å; L62-W71 VanDerWaalsContact CD2-CE2 3.43Å; L62-W71 HydrophobicContact CD2-CG 3.93Å; L62-W71 HydrophobicContact CD2-CZ2 4Å; L62-Y345 VanDerWaalsContact CB-OH 3.31Å; L62-Y345 WeakPolarHBondContact CB-OH 3.38Å; L62-Y345 VanDerWaalsContact O-CE2 3.28Å; L62-Y345 WeakPolarHBondContact O-CE2 2.94Å; L62-Y345 PolarHBondContact O-OH 3.05Å
63	N	56.3	Low	62.6	Low	39 Å²	39	43.2 Å²	43.2	21%	0.209	22%	0.215	C	C	.	.			trans	-109.4	178.9	161.3	-154.6	-2.3	0	0	0	112.1	V65 I66 E96 Y345	N63-V65 PolarHBondContact O-N 3.28Å; N63-I66 WeakPolarHBondContact O-CB 3.3Å; N63-I66 VanDerWaalsContact O-CD1 3.26Å; N63-I66 WeakPolarHBondContact O-CD1 3.42Å; N63-I66 WeakPolarHBondContact O-CG1 3.08Å; N63-E96 WeakPolarHBondContact CB-O 3.49Å; N63-E96 PolarHBondContact ND2-OE2 2.83Å; N63-Y345 VanDerWaalsContact CA-CE2 3.43Å; N63-Y345 WeakPolarHBondContact CA-OH 2.88Å; N63-Y345 HydrophobicContact CB-CE2 4.45Å; N63-Y345 PolarHBondContact N-OH 3.22Å; N63-Y345 PolarHBondContact O-OH 2.91Å; N63-Y345 WeakPolarHBondContact OD1-CD2 3.39Å
64	Y	50.7	Low	62.9	Low	34 Å²	34	48.1 Å²	48.1	13%	0.133	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-19	-148.3	74.9	-114.5	0	0	0	119.5	I66 V67 N143 Y345 P346	Y64-I66 PolarHBondContact O-N 3.45Å; Y64-I66 VanDerWaalsContact O-N 3.09Å; Y64-V67 PolarHBondContact O-N 3.36Å; Y64-N143 HydrophobicContact CE1-CB 4.11Å; Y64-N143 VanDerWaalsContact CE1-O 3.32Å; Y64-N143 WeakPolarHBondContact CE1-O 3.21Å; Y64-N143 PolarHBondContact OH-O 2.88Å; Y64-Y345 VanDerWaalsContact CD1-N 3.31Å; Y64-Y345 HydrophobicContact CG-CG 4.44Å; Y64-P346 HydrophobicContact CD2-CB 3.49Å; Y64-P346 VanDerWaalsContact CD2-CB 3.49Å; Y64-P346 HydrophobicContact CE2-CB 4.49Å; Y64-P346 HydrophobicContact CG-CB 3.77Å; Y64-P346 WeakPolarHBondContact O-CB 3.2Å
65	V	51	Low	63.3	Low	26 Å²	26	52 Å²	52	16%	0.158	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-16.6	-176.9	177.8	0	0	0	0	110.9	N63 V67 C97	N63-V65 PolarHBondContact O-N 3.28Å; V65-V67 VanDerWaalsContact C-N 3.33Å; V65-V67 PolarHBondContact O-N 2.92Å; V65-C97 HydrophobicContact CB-CB 3.36Å; V65-C97 HydrophobicContact CG1-CB 3.45Å; V65-C97 VanDerWaalsContact CG1-CB 3.45Å; V65-C97 HydrophobicContact CG2-CB 3.95Å
66	I	59.1	Low	63.9	Low	8 Å²	8	52.7 Å²	52.7	4%	0.041	27%	0.267	C	S	.	.	H	α-helix	trans	-58.9	-36.1	178.4	-74.7	171.8	0	0	0	113.9	L62 N63 Y64 N68 R69 G70 W71	L62-I66 HydrophobicContact CB-CD1 3.66Å; L62-I66 HydrophobicContact CD1-CD1 3.7Å; L62-I66 HydrophobicContact CD1-CG2 4.25Å; L62-I66 HydrophobicContact CD2-CD1 3.44Å; L62-I66 VanDerWaalsContact CD2-CD1 3.44Å; L62-I66 HydrophobicContact CG-CD1 3.76Å; N63-I66 WeakPolarHBondContact O-CB 3.3Å; N63-I66 VanDerWaalsContact O-CD1 3.26Å; N63-I66 WeakPolarHBondContact O-CD1 3.42Å; N63-I66 WeakPolarHBondContact O-CG1 3.08Å; Y64-I66 PolarHBondContact O-N 3.45Å; Y64-I66 VanDerWaalsContact O-N 3.09Å; I66-N68 VanDerWaalsContact C-N 3.29Å; I66-N68 PolarHBondContact O-N 3.36Å; I66-R69 PolarHBondContact O-N 3.05Å; I66-G70 PolarHBondContact O-N 3.13Å; I66-W71 HydrophobicContact CB-CB 4.09Å; I66-W71 HydrophobicContact CD1-CB 3.96Å; I66-W71 HydrophobicContact CD1-CG 3.83Å; I66-W71 HydrophobicContact CG1-CB 3.87Å; I66-W71 HydrophobicContact CG1-CG 4.22Å; I66-W71 HydrophobicContact CG2-CB 3.3Å; I66-W71 HydrophobicContact CG2-CG 4.26Å
67	V	52	Low	64.5	Low	17 Å²	17	53.4 Å²	53.4	10%	0.103	27%	0.272	C	S	.	.	H	α-helix	trans	-58.7	-39.3	-169.2	180	0	0	0	0	112.4	Y64 V65 P346 E723 M724 V727	Y64-V67 PolarHBondContact O-N 3.36Å; V65-V67 VanDerWaalsContact C-N 3.33Å; V65-V67 PolarHBondContact O-N 2.92Å; V67-P346 HydrophobicContact CG2-CG 4.31Å; V67-E723 WeakPolarHBondContact CG1-O 3.2Å; V67-M724 HydrophobicContact CG2-CE 4.03Å; V67-M724 HydrophobicContact CG2-CG 3.72Å; V67-M724 HydrophobicContact CG2-SD 4.4Å; V67-V727 HydrophobicContact CG1-CG2 3.87Å
68	N	52.6	Low	65.4	Low	93 Å²	93	53.6 Å²	53.6	50%	0.497	27%	0.273	S	S	.	.	H	α-helix	trans	-87.6	-19.4	-173.8	-72.5	-32	0	0	0	114.1	I66 Y348	I66-N68 VanDerWaalsContact C-N 3.29Å; I66-N68 PolarHBondContact O-N 3.36Å; N68-Y348 WeakPolarHBondContact ND2-CA 3.21Å; N68-Y348 PolarHBondContact ND2-N 2.96Å
69	R	61.3	Low	66.7	Low	119 Å²	119	46.1 Å²	46.1	45%	0.449	24%	0.244	S	C	.	.	H	α-helix	trans	-118.4	-11.3	-167.3	-64.5	-178.4	179.6	-114.9	4.3	113.7	I66 W122	I66-R69 PolarHBondContact O-N 3.05Å; R69-W122 VanDerWaalsContact CZ-CD2 3.46Å; R69-W122 VanDerWaalsContact NH1-CH2 3.31Å
70	G	65	Low	67.7	Low	25 Å²	25	47.3 Å²	47.3	26%	0.258	25%	0.245	S	C	.	.			trans	78.2	130.5	-172.9	0	0	0	0	0	110.3	I66	I66-G70 PolarHBondContact O-N 3.13Å
71	W	71.7	Confident	68.6	Low	21 Å²	21	48.9 Å²	48.9	8%	0.08	26%	0.263	C	S	.	.			trans	-88.5	145.8	176.6	170.3	82	0	0	0	111.6	V46 C48 M49 Y55 A60 L62 I66 C73	V46-W71 HydrophobicContact CG1-CD2 4.45Å; V46-W71 HydrophobicContact CG1-CE3 3.91Å; V46-W71 HydrophobicContact CG1-CZ3 4.02Å; V46-W71 HydrophobicContact CG2-CB 4.4Å; V46-W71 HydrophobicContact CG2-CE3 4.1Å; C48-W71 CarbonylContact C-O 3.56Å; C48-W71 WeakPolarHBondContact CA-O 3.41Å; C48-W71 HydrophobicContact CB-CE3 4.35Å; C48-W71 HydrophobicContact CB-CZ3 3.98Å; M49-W71 WeakPolarHBondContact CB-O 3.49Å; M49-W71 PolarHBondContact N-O 2.99Å; Y55-W71 AromaticContact CD1-CH2 3.87Å; Y55-W71 HydrophobicContact CD1-CH2 3.87Å; Y55-W71 AromaticContact CD2-CH2 3.21Å; Y55-W71 HydrophobicContact CD2-CH2 3.21Å; Y55-W71 AromaticContact CD2-CZ3 3.22Å; Y55-W71 HydrophobicContact CD2-CZ3 3.22Å; Y55-W71 HydrophobicContact CE1-CH2 4.22Å; Y55-W71 AromaticContact CE2-CH2 3.57Å; Y55-W71 HydrophobicContact CE2-CH2 3.57Å; Y55-W71 AromaticContact CE2-CZ3 3.67Å; Y55-W71 HydrophobicContact CE2-CZ3 3.67Å; Y55-W71 AromaticContact CG-CH2 3.35Å; Y55-W71 HydrophobicContact CG-CH2 3.35Å; Y55-W71 HydrophobicContact CG-CZ2 4.46Å; Y55-W71 AromaticContact CG-CZ3 3.79Å; Y55-W71 HydrophobicContact CG-CZ3 3.79Å; A60-W71 HydrophobicContact CB-CH2 3.93Å; A60-W71 HydrophobicContact CB-CZ2 3.56Å; L62-W71 HydrophobicContact CD1-CD2 4.35Å; L62-W71 HydrophobicContact CD1-CG 4.26Å; L62-W71 VanDerWaalsContact CD2-CD1 3.48Å; L62-W71 HydrophobicContact CD2-CD2 3.92Å; L62-W71 VanDerWaalsContact CD2-CE2 3.43Å; L62-W71 HydrophobicContact CD2-CG 3.93Å; L62-W71 HydrophobicContact CD2-CZ2 4Å; I66-W71 HydrophobicContact CB-CB 4.09Å; I66-W71 HydrophobicContact CD1-CB 3.96Å; I66-W71 HydrophobicContact CD1-CG 3.83Å; I66-W71 HydrophobicContact CG1-CB 3.87Å; I66-W71 HydrophobicContact CG1-CG 4.22Å; I66-W71 HydrophobicContact CG2-CB 3.3Å; I66-W71 HydrophobicContact CG2-CG 4.26Å; W71-C73 HydrophobicContact CH2-CB 3.51Å; W71-C73 HydrophobicContact CZ2-CB 4Å; W71-C73 HydrophobicContact CZ3-CB 4.07Å
72	R	74.7	Confident	69.7	Low	71 Å²	71	45 Å²	45	27%	0.268	25%	0.246	S	C	.	.			trans	-117.4	140.7	171.3	-61.5	-168.2	-163.5	88.4	-3.4	109.1	M49 C76 E80	M49-R72 HydrophobicContact CB-CG 4.08Å; R72-C76 HydrophobicContact CB-CB 4.24Å; R72-C76 WeakPolarHBondContact CD-O 3.28Å; R72-E80 IonicContact CZ-OE1 3.11Å; R72-E80 IonicContact NH1-OE1 3.33Å; R72-E80 PolarHBondContact NH1-OE1 3.34Å; R72-E80 IonicContact NH2-OE1 3.63Å; R72-E80 PolarHBondContact NH2-OE1 3.27Å
73	C	73.4	Confident	70.5	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.007	27%	0.267	C	S	.	.			trans	-71.7	164.7	173.5	64.9	0	0	0	0	110.7	C48 C51 Y55 W71 D75 C76 T77	C48-C73 HydrophobicContact CB-CB 4.24Å; C48-C73 PolarHBondContact SG-N 3.43Å; C48-C73 VanDerWaalsContact SG-N 3.42Å; C48-C73 VanDerWaalsContact SG-SG 3.69Å; C51-C73 VanDerWaalsContact SG-SG 3.62Å; Y55-C73 HydrophobicContact CD2-CB 4.43Å; Y55-C73 HydrophobicContact CE1-CB 4.01Å; Y55-C73 HydrophobicContact CE2-CB 3.52Å; Y55-C73 WeakPolarHBondContact OH-CB 3.39Å; Y55-C73 PolarHBondContact OH-SG 2.98Å; W71-C73 HydrophobicContact CH2-CB 3.51Å; W71-C73 HydrophobicContact CZ2-CB 4Å; W71-C73 HydrophobicContact CZ3-CB 4.07Å; C73-D75 VanDerWaalsContact C-N 3.25Å; C73-D75 PolarHBondContact O-N 3.29Å; C73-C76 CarbonylContact O-C 3.51Å; C73-C76 WeakPolarHBondContact O-CA 3.46Å; C73-C76 PolarHBondContact O-N 2.88Å; C73-C76 VanDerWaalsContact SG-SG 3.63Å; C73-T77 PolarHBondContact O-N 3.26Å; C73-T77 VanDerWaalsContact O-N 3.13Å; C73-T77 PolarHBondContact O-OG1 3.38Å; C73-T77 VanDerWaalsContact O-OG1 3.14Å
74	L	74	Confident	71.7	Confident	130 Å²	130	51.6 Å²	51.6	68%	0.681	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-50.9	-45	-177.9	-167.5	64.5	0	0	0	112.2	C76 T77 L93	L74-C76 PolarHBondContact O-N 3.4Å; L74-T77 VanDerWaalsContact C-OG1 3.27Å; L74-T77 WeakPolarHBondContact CA-OG1 3.09Å; L74-T77 WeakPolarHBondContact O-CB 3.44Å; L74-T77 PolarHBondContact O-N 3.11Å; L74-T77 VanDerWaalsContact O-N 3.12Å; L74-T77 PolarHBondContact O-OG1 2.88Å; L74-L93 HydrophobicContact CD1-CD1 4.39Å
75	D	74.3	Confident	73.1	Confident	94 Å²	94	51.3 Å²	51.3	50%	0.503	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-69.7	-13.4	179.1	-41.2	-42.3	0	0	0	114.8	K32 C73	K32-D75 IonicContact NZ-OD2 3.11Å; K32-D75 PolarHBondContact NZ-OD2 3.45Å; C73-D75 VanDerWaalsContact C-N 3.25Å; C73-D75 PolarHBondContact O-N 3.29Å
76	C	76.8	Confident	74.6	Confident	20 Å²	20	53.4 Å²	53.4	14%	0.135	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-112.1	13.9	177.9	-70.9	0	0	0	0	111.6	Q50 C51 R72 C73 L74 V78	Q50-C76 HydrophobicContact CB-CB 3.71Å; Q50-C76 HydrophobicContact CG-CB 4.02Å; C51-C76 VanDerWaalsContact CB-SG 3.59Å; R72-C76 HydrophobicContact CB-CB 4.24Å; R72-C76 WeakPolarHBondContact CD-O 3.28Å; C73-C76 CarbonylContact O-C 3.51Å; C73-C76 WeakPolarHBondContact O-CA 3.46Å; C73-C76 PolarHBondContact O-N 2.88Å; C73-C76 VanDerWaalsContact SG-SG 3.63Å; L74-C76 PolarHBondContact O-N 3.4Å; C76-V78 PolarHBondContact O-N 3.28Å
77	T	80.2	Confident	75.9	Confident	24 Å²	24	56 Å²	56	15%	0.147	32%	0.315	C	S	.	.			trans	-69	130.7	-180	-56.7	0	0	0	0	109.2	C73 L74 L91 L93 S100	C73-T77 PolarHBondContact O-N 3.26Å; C73-T77 VanDerWaalsContact O-N 3.13Å; C73-T77 PolarHBondContact O-OG1 3.38Å; C73-T77 VanDerWaalsContact O-OG1 3.14Å; L74-T77 VanDerWaalsContact C-OG1 3.27Å; L74-T77 WeakPolarHBondContact CA-OG1 3.09Å; L74-T77 WeakPolarHBondContact O-CB 3.44Å; L74-T77 PolarHBondContact O-N 3.11Å; L74-T77 VanDerWaalsContact O-N 3.12Å; L74-T77 PolarHBondContact O-OG1 2.88Å; T77-L91 HydrophobicContact CG2-CD2 4Å; T77-L93 HydrophobicContact CG2-CD2 3.86Å; T77-S100 WeakPolarHBondContact CG2-OG 3.49Å
78	V	83.5	Confident	77.4	Confident	33 Å²	33	62.5 Å²	62.5	20%	0.2	34%	0.344	C	S	.	.			trans	-137.6	149.7	177.5	-65.5	0	0	0	0	108.6	C76 E80 R84	C76-V78 PolarHBondContact O-N 3.28Å; V78-E80 PolarHBondContact O-N 2.94Å; V78-R84 CarbonylContact C-O 3.24Å; V78-R84 WeakPolarHBondContact CA-O 3.48Å
79	C	88.9	Confident	79	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-65.5	124.2	171.7	166.9	0	0	0	0	110.1	G81 C82 G83 R84 L91 S100 H102 C105	C79-G81 PolarHBondContact O-N 2.99Å; C79-G81 PolarHBondContact SG-N 2.77Å; C79-C82 VanDerWaalsContact CB-SG 3.6Å; C79-C82 PolarHBondContact O-N 2.67Å; C79-G83 WeakPolarHBondContact O-CA 3.31Å; C79-G83 PolarHBondContact O-N 3.32Å; C79-R84 WeakPolarHBondContact CB-O 3.38Å; C79-R84 PolarHBondContact N-O 3.12Å; C79-L91 HydrophobicContact CB-CD1 3.78Å; C79-S100 CarbonylContact C-O 3.56Å; C79-S100 WeakPolarHBondContact CA-O 3.07Å; C79-H102 WeakPolarHBondContact CB-ND1 3.49Å; C79-H102 PolarHBondContact SG-N 3.06Å; C79-H102 PolarHBondContact SG-ND1 2.81Å; C79-C105 WeakPolarHBondContact SG-CB 3.23Å; C79-C105 VanDerWaalsContact SG-SG 3.61Å
80	E	84.6	Confident	80.4	Confident	69 Å²	69	62.6 Å²	62.6	32%	0.322	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-18	177.6	-73.2	-63.4	146.7	0	0	114	R72 V78 I99 S100 Y101 W122	R72-E80 IonicContact CZ-OE1 3.11Å; R72-E80 IonicContact NH1-OE1 3.33Å; R72-E80 PolarHBondContact NH1-OE1 3.34Å; R72-E80 IonicContact NH2-OE1 3.63Å; R72-E80 PolarHBondContact NH2-OE1 3.27Å; V78-E80 PolarHBondContact O-N 2.94Å; E80-I99 HydrophobicContact CG-CG2 3.69Å; E80-S100 PolarHBondContact N-O 3.32Å; E80-Y101 HydrophobicContact CB-CD1 4.38Å; E80-Y101 HydrophobicContact CB-CE1 3.8Å; E80-Y101 HydrophobicContact CB-CE2 3.96Å; E80-Y101 HydrophobicContact CG-CE2 4.41Å; E80-W122 HydrophobicContact CB-CH2 4.13Å; E80-W122 HydrophobicContact CB-CZ3 4.39Å; E80-W122 HydrophobicContact CG-CH2 4.17Å; E80-W122 HydrophobicContact CG-CZ3 4.09Å
81	G	83.3	Confident	81.5	Confident	50 Å²	50	62.8 Å²	62.8	52%	0.515	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-50.6	174.1	0	0	0	0	0	113.8	C79	C79-G81 PolarHBondContact O-N 2.99Å; C79-G81 PolarHBondContact SG-N 2.77Å
82	C	87.3	Confident	82.3	Confident	55 Å²	55	62.6 Å²	62.6	37%	0.372	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-13.6	-174.1	69.3	0	0	0	0	114.6	C79 R84 H102	C79-C82 VanDerWaalsContact CB-SG 3.6Å; C79-C82 PolarHBondContact O-N 2.67Å; C82-R84 PolarHBondContact SG-N 2.9Å; C82-H102 VanDerWaalsContact SG-CE1 3.58Å; C82-H102 PolarHBondContact SG-ND1 3.3Å; C82-H102 VanDerWaalsContact SG-ND1 3.41Å
83	G	80	Confident	82.9	Confident	52 Å²	52	62.7 Å²	62.7	54%	0.536	34%	0.344	S	S	.	.	S	Bend	trans	77.9	12	-177.6	0	0	0	0	0	115.4	C79	C79-G83 WeakPolarHBondContact O-CA 3.31Å; C79-G83 PolarHBondContact O-N 3.32Å
84	R	82.3	Confident	83.5	Confident	141 Å²	141	62.6 Å²	62.6	53%	0.532	34%	0.343	S	S	.	.			trans	-113.8	151.2	-174.9	-53.5	-179.5	-177	-166	-0.1	112.2	V78 C79 C82 D86	V78-R84 CarbonylContact C-O 3.24Å; V78-R84 WeakPolarHBondContact CA-O 3.48Å; C79-R84 WeakPolarHBondContact CB-O 3.38Å; C79-R84 PolarHBondContact N-O 3.12Å; C82-R84 PolarHBondContact SG-N 2.9Å; R84-D86 WeakPolarHBondContact CB-OD1 3.45Å; R84-D86 WeakPolarHBondContact CD-OD2 3.38Å; R84-D86 IonicContact NH1-OD2 3.7Å
85	G	79.4	Confident	83.8	Confident	29 Å²	29	60.4 Å²	60.4	30%	0.299	33%	0.332	S	S	.	.			trans	-105.9	14.3	176.1	0	0	0	0	0	113.8
86	D	81.5	Confident	83.6	Confident	69 Å²	69	58.1 Å²	58.1	37%	0.369	32%	0.318	S	S	.	.			trans	-70.4	175.4	172.6	49	-2.9	0	0	0	111.5	R84 E88 H102	R84-D86 WeakPolarHBondContact CB-OD1 3.45Å; R84-D86 WeakPolarHBondContact CD-OD2 3.38Å; R84-D86 IonicContact NH1-OD2 3.7Å; D86-E88 PolarHBondContact O-N 3.2Å; D86-H102 PolarHBondContact O-NE2 3.12Å; D86-H102 IonicContact OD1-CE1 2.69Å; D86-H102 IonicContact OD1-NE2 2.74Å
87	D	86.2	Confident	83.5	Confident	63 Å²	63	57.4 Å²	57.4	34%	0.337	31%	0.313	S	S	.	.			trans	50.3	46.9	176.5	-67.6	-19.5	0	0	0	114.8	Q89 Y90 L91 Y104	D87-Q89 PolarHBondContact O-N 3.24Å; D87-Y90 HydrophobicContact CB-CD2 4.47Å; D87-Y90 PolarHBondContact O-N 3.41Å; D87-L91 PolarHBondContact O-N 3.4Å; D87-Y104 PolarHBondContact OD2-OH 2.9Å
88	E	84.6	Confident	83.5	Confident	153 Å²	153	59.1 Å²	59.1	72%	0.715	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-53.7	-33.3	-175	-62.6	-174.7	178.7	0	0	113.5	D86 Y90 L91	D86-E88 PolarHBondContact O-N 3.2Å; E88-Y90 PolarHBondContact O-N 3.32Å; E88-Y90 VanDerWaalsContact O-N 3.14Å; E88-L91 WeakPolarHBondContact O-CB 3.16Å; E88-L91 PolarHBondContact O-N 3.43Å
89	Q	86.4	Confident	83.5	Confident	109 Å²	109	58.6 Å²	58.6	51%	0.509	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-60.4	-21.5	175.5	66.8	-173.8	-24.8	0	0	114.3	D87	D87-Q89 PolarHBondContact O-N 3.24Å
90	Y	89.3	Confident	83.4	Confident	105 Å²	105	58.8 Å²	58.8	41%	0.412	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-109.1	1.8	174.6	-64	-71.3	0	0	0	112.7	D87 E88 L92 H102 T103	D87-Y90 HydrophobicContact CB-CD2 4.47Å; D87-Y90 PolarHBondContact O-N 3.41Å; E88-Y90 PolarHBondContact O-N 3.32Å; E88-Y90 VanDerWaalsContact O-N 3.14Å; Y90-L92 PolarHBondContact O-N 3.07Å; Y90-H102 CarbonylContact O-C 3.59Å; Y90-H102 VanDerWaalsContact O-CA 3.28Å; Y90-H102 WeakPolarHBondContact O-CA 3.33Å; Y90-T103 HydrophobicContact CD1-CG2 4.45Å; Y90-T103 PolarHBondContact O-N 3Å
91	L	89.5	Confident	83.7	Confident	29 Å²	29	55.8 Å²	55.8	15%	0.152	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	103.3	-179.6	-168.6	66.8	0	0	0	109.8	T77 C79 D87 E88	T77-L91 HydrophobicContact CG2-CD2 4Å; C79-L91 HydrophobicContact CB-CD1 3.78Å; D87-L91 PolarHBondContact O-N 3.4Å; E88-L91 WeakPolarHBondContact O-CB 3.16Å; E88-L91 PolarHBondContact O-N 3.43Å
92	L	88.9	Confident	84.1	Confident	18 Å²	18	53.4 Å²	53.4	9%	0.094	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	124.2	178.1	-62.6	177.7	0	0	0	110.7	Y90 S100 Y101 T103 L106 L110 I113 P114 W118	Y90-L92 PolarHBondContact O-N 3.07Å; L92-S100 CarbonylContact O-C 3.5Å; L92-S100 WeakPolarHBondContact O-CA 3.22Å; L92-Y101 WeakPolarHBondContact CB-O 3.41Å; L92-Y101 PolarHBondContact N-O 3.12Å; L92-Y101 PolarHBondContact O-N 3.01Å; L92-T103 HydrophobicContact CD1-CG2 3.78Å; L92-T103 HydrophobicContact CD2-CG2 4.28Å; L92-T103 HydrophobicContact CG-CG2 3.89Å; L92-L106 HydrophobicContact CD1-CD1 4.15Å; L92-L110 HydrophobicContact CD1-CD1 4.13Å; L92-I113 HydrophobicContact CD2-CB 4.39Å; L92-I113 HydrophobicContact CD2-CG1 4.22Å; L92-I113 HydrophobicContact CD2-CG2 3.81Å; L92-P114 HydrophobicContact CD1-CG 4.07Å; L92-W118 HydrophobicContact CB-CD2 4.3Å; L92-W118 HydrophobicContact CB-CE3 3.84Å; L92-W118 HydrophobicContact CB-CH2 4.13Å; L92-W118 HydrophobicContact CB-CZ3 3.73Å; L92-W118 HydrophobicContact CD1-CD2 4.19Å; L92-W118 HydrophobicContact CD1-CZ2 4.41Å
93	L	87.2	Confident	84.3	Confident	72 Å²	72	51.1 Å²	51.1	38%	0.377	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	135	169.2	-54.2	-176.6	0	0	0	110.2	L74 T77 D95 S100	L74-L93 HydrophobicContact CD1-CD1 4.39Å; T77-L93 HydrophobicContact CG2-CD2 3.86Å; L93-D95 PolarHBondContact O-N 3.48Å; L93-S100 WeakPolarHBondContact CD2-OG 3.49Å
94	C	84.7	Confident	84.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-70.7	122.7	173	179.7	0	0	0	0	109.4	E96 C97 D98 I99 W118 C120	C94-E96 PolarHBondContact O-N 3.43Å; C94-C97 VanDerWaalsContact CB-SG 3.54Å; C94-C97 PolarHBondContact O-N 2.92Å; C94-C97 PolarHBondContact SG-SG 2.77Å; C94-D98 WeakPolarHBondContact O-CA 3.24Å; C94-D98 PolarHBondContact O-N 2.81Å; C94-I99 HydrophobicContact CB-CB 4.49Å; C94-I99 VanDerWaalsContact CB-O 3.29Å; C94-I99 WeakPolarHBondContact CB-O 3.45Å; C94-I99 PolarHBondContact N-O 2.78Å; C94-W118 HydrophobicContact CB-CZ3 4.09Å; C94-C120 HydrophobicContact CB-CB 4.03Å; C94-C120 PolarHBondContact SG-N 2.77Å
95	D	80	Confident	85.4	Confident	83 Å²	83	48 Å²	48	44%	0.444	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-5.8	-178	-70.5	-46	0	0	0	114.8	L93 A117 W118	L93-D95 PolarHBondContact O-N 3.48Å; D95-A117 VanDerWaalsContact OD2-C 3.29Å; D95-A117 WeakPolarHBondContact OD2-CA 3.28Å; D95-A117 WeakPolarHBondContact OD2-CB 3.47Å; D95-W118 PolarHBondContact N-O 3.46Å; D95-W118 VanDerWaalsContact N-O 3.11Å; D95-W118 PolarHBondContact OD2-N 3.06Å
96	E	71.6	Confident	85.8	Confident	46 Å²	46	47.9 Å²	47.9	22%	0.215	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-22	-179.3	-71.2	-61.5	158.6	0	0	115.5	N63 C94 R119 C123	N63-E96 WeakPolarHBondContact CB-O 3.49Å; N63-E96 PolarHBondContact ND2-OE2 2.83Å; C94-E96 PolarHBondContact O-N 3.43Å; E96-R119 HydrophobicContact CG-CG 4.47Å; E96-R119 VanDerWaalsContact CG-CZ 3.47Å; E96-R119 IonicContact OE1-CZ 3.89Å; E96-R119 IonicContact OE1-NH1 3Å; E96-R119 PolarHBondContact OE1-NH1 3.35Å; E96-R119 IonicContact OE1-NH2 3.52Å; E96-R119 PolarHBondContact OE1-NH2 3.24Å; E96-C123 HydrophobicContact CB-CB 4.35Å
97	C	74.4	Confident	85.4	Confident	5 Å²	5	50.5 Å²	50.5	3%	0.034	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.2	3.4	-170.6	67	0	0	0	0	113.7	V65 C94 I99	V65-C97 HydrophobicContact CB-CB 3.36Å; V65-C97 HydrophobicContact CG1-CB 3.45Å; V65-C97 VanDerWaalsContact CG1-CB 3.45Å; V65-C97 HydrophobicContact CG2-CB 3.95Å; C94-C97 VanDerWaalsContact CB-SG 3.54Å; C94-C97 PolarHBondContact O-N 2.92Å; C94-C97 PolarHBondContact SG-SG 2.77Å; C97-I99 HydrophobicContact CB-CG1 4.48Å; C97-I99 PolarHBondContact O-N 3.41Å; C97-I99 VanDerWaalsContact SG-CB 3.54Å
98	D	79.9	Confident	85.3	Confident	61 Å²	61	52.6 Å²	52.6	33%	0.326	28%	0.275	S	S	.	.			trans	56.8	-1	-178	-55.1	-33.7	0	0	0	115.8	C94 S100	C94-D98 WeakPolarHBondContact O-CA 3.24Å; C94-D98 PolarHBondContact O-N 2.81Å; D98-S100 PolarHBondContact O-N 3Å; D98-S100 PolarHBondContact O-OG 3.45Å
99	I	83.2	Confident	85.4	Confident	22 Å²	22	49.1 Å²	49.1	11%	0.113	27%	0.266	C	S	.	.			trans	-54.1	136.7	171.4	-75	179.9	0	0	0	109.7	E80 C94 C97 Y101 C120 W122	E80-I99 HydrophobicContact CG-CG2 3.69Å; C94-I99 HydrophobicContact CB-CB 4.49Å; C94-I99 VanDerWaalsContact CB-O 3.29Å; C94-I99 WeakPolarHBondContact CB-O 3.45Å; C94-I99 PolarHBondContact N-O 2.78Å; C97-I99 HydrophobicContact CB-CG1 4.48Å; C97-I99 PolarHBondContact O-N 3.41Å; C97-I99 VanDerWaalsContact SG-CB 3.54Å; I99-Y101 HydrophobicContact CG2-CD2 4.06Å; I99-Y101 HydrophobicContact CG2-CE2 3.56Å; I99-C120 HydrophobicContact CG2-CB 4.38Å; I99-W122 HydrophobicContact CD1-CE3 3.75Å; I99-W122 HydrophobicContact CD1-CZ3 3.73Å; I99-W122 HydrophobicContact CG2-CE3 4.05Å; I99-W122 HydrophobicContact CG2-CZ3 3.62Å
100	S	86.8	Confident	85.4	Confident	4 Å²	4	46.8 Å²	46.8	3%	0.028	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	146.6	-167.4	-30.5	0	0	0	0	112.5	T77 C79 E80 L92 L93 D98	T77-S100 WeakPolarHBondContact CG2-OG 3.49Å; C79-S100 CarbonylContact C-O 3.56Å; C79-S100 WeakPolarHBondContact CA-O 3.07Å; E80-S100 PolarHBondContact N-O 3.32Å; L92-S100 CarbonylContact O-C 3.5Å; L92-S100 WeakPolarHBondContact O-CA 3.22Å; L93-S100 WeakPolarHBondContact CD2-OG 3.49Å; D98-S100 PolarHBondContact O-N 3Å; D98-S100 PolarHBondContact O-OG 3.45Å
101	Y	90.6	Very high	85.2	Confident	6 Å²	6	50 Å²	50	2%	0.024	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	140.2	173.6	-74.7	-96.5	0	0	0	109.5	E80 L92 I99 L106 W118 C120 K121 W122	E80-Y101 HydrophobicContact CB-CD1 4.38Å; E80-Y101 HydrophobicContact CB-CE1 3.8Å; E80-Y101 HydrophobicContact CB-CE2 3.96Å; E80-Y101 HydrophobicContact CG-CE2 4.41Å; L92-Y101 WeakPolarHBondContact CB-O 3.41Å; L92-Y101 PolarHBondContact N-O 3.12Å; L92-Y101 PolarHBondContact O-N 3.01Å; I99-Y101 HydrophobicContact CG2-CD2 4.06Å; I99-Y101 HydrophobicContact CG2-CE2 3.56Å; Y101-L106 HydrophobicContact CD1-CD2 3.82Å; Y101-L106 HydrophobicContact CD2-CD2 4.31Å; Y101-L106 HydrophobicContact CG-CD2 3.68Å; Y101-W118 AromaticContact CD2-CH2 3.9Å; Y101-W118 HydrophobicContact CD2-CH2 3.9Å; Y101-W118 HydrophobicContact CG-CH2 4.4Å; Y101-C120 HydrophobicContact CD2-CB 4.25Å; Y101-C120 HydrophobicContact CE2-CB 3.88Å; Y101-K121 WeakPolarHBondContact OH-CE 3.24Å; Y101-W122 HydrophobicContact CE2-CE3 4.48Å; Y101-W122 HydrophobicContact CE2-CH2 4.47Å; Y101-W122 HydrophobicContact CE2-CZ3 4.01Å; Y101-W122 AromaticContact CZ-CH2 3.96Å; Y101-W122 AromaticContact CZ-CZ3 3.95Å; Y101-W122 WeakPolarHBondContact OH-CH2 3.19Å; Y101-W122 VanDerWaalsContact OH-CZ2 3.24Å; Y101-W122 WeakPolarHBondContact OH-CZ2 3.49Å; Y101-W122 WeakPolarHBondContact OH-CZ3 3.4Å
102	H	93.2	Very high	84.9	Confident	0 Å²	0	52 Å²	52	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	144.9	160.8	-60.7	112.3	0	0	0	109.9	C79 C82 D86 Y90 Y104 C105	C79-H102 WeakPolarHBondContact CB-ND1 3.49Å; C79-H102 PolarHBondContact SG-N 3.06Å; C79-H102 PolarHBondContact SG-ND1 2.81Å; C82-H102 VanDerWaalsContact SG-CE1 3.58Å; C82-H102 PolarHBondContact SG-ND1 3.3Å; C82-H102 VanDerWaalsContact SG-ND1 3.41Å; D86-H102 PolarHBondContact O-NE2 3.12Å; D86-H102 IonicContact OD1-CE1 2.69Å; D86-H102 IonicContact OD1-NE2 2.74Å; Y90-H102 CarbonylContact O-C 3.59Å; Y90-H102 VanDerWaalsContact O-CA 3.28Å; Y90-H102 WeakPolarHBondContact O-CA 3.33Å; H102-Y104 HydrophobicContact CB-CD1 4Å; H102-Y104 HydrophobicContact CB-CD2 3.87Å; H102-Y104 HydrophobicContact CB-CE1 3.75Å; H102-Y104 HydrophobicContact CB-CE2 3.56Å; H102-Y104 HydrophobicContact CB-CG 4.08Å; H102-Y104 AromaticContact CD2-CZ 3.89Å; H102-Y104 AromaticContact CG-CE2 3.78Å; H102-Y104 AromaticContact CG-CZ 3.51Å; H102-Y104 AromaticContact ND1-CE2 3.93Å; H102-Y104 AromaticContact ND1-CZ 3.93Å; H102-Y104 PolarHBondContact O-N 2.83Å; H102-Y104 VanDerWaalsContact O-N 3.1Å; H102-C105 HydrophobicContact CB-CB 3.91Å; H102-C105 PolarHBondContact O-N 3.21Å
103	T	91.7	Very high	84.6	Confident	7 Å²	7	55.8 Å²	55.8	4%	0.043	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-50.2	-37.5	174.2	55.5	0	0	0	0	111.9	Y90 L92 L110 I113	Y90-T103 HydrophobicContact CD1-CG2 4.45Å; Y90-T103 PolarHBondContact O-N 3Å; L92-T103 HydrophobicContact CD1-CG2 3.78Å; L92-T103 HydrophobicContact CD2-CG2 4.28Å; L92-T103 HydrophobicContact CG-CG2 3.89Å; T103-L110 WeakPolarHBondContact CB-O 3.34Å; T103-L110 PolarHBondContact O-N 2.88Å; T103-I113 HydrophobicContact CG2-CG1 4.17Å
104	Y	92.2	Very high	84.4	Confident	98 Å²	98	54.3 Å²	54.3	38%	0.384	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-85.6	-12.6	179.7	56.2	-104.1	0	0	0	115.2	D87 H102 L106	D87-Y104 PolarHBondContact OD2-OH 2.9Å; H102-Y104 HydrophobicContact CB-CD1 4Å; H102-Y104 HydrophobicContact CB-CD2 3.87Å; H102-Y104 HydrophobicContact CB-CE1 3.75Å; H102-Y104 HydrophobicContact CB-CE2 3.56Å; H102-Y104 HydrophobicContact CB-CG 4.08Å; H102-Y104 AromaticContact CD2-CZ 3.89Å; H102-Y104 AromaticContact CG-CE2 3.78Å; H102-Y104 AromaticContact CG-CZ 3.51Å; H102-Y104 AromaticContact ND1-CE2 3.93Å; H102-Y104 AromaticContact ND1-CZ 3.93Å; H102-Y104 PolarHBondContact O-N 2.83Å; H102-Y104 VanDerWaalsContact O-N 3.1Å; Y104-L106 VanDerWaalsContact C-N 3.28Å
105	C	92.8	Very high	84	Confident	30 Å²	30	63 Å²	63	20%	0.203	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-86	-1.7	174.9	-77.1	0	0	0	0	112.6	C79 H102	C79-C105 WeakPolarHBondContact SG-CB 3.23Å; C79-C105 VanDerWaalsContact SG-SG 3.61Å; H102-C105 HydrophobicContact CB-CB 3.91Å; H102-C105 PolarHBondContact O-N 3.21Å
106	L	86.3	Confident	83.9	Confident	25 Å²	25	61.6 Å²	61.6	13%	0.131	36%	0.36	C	S	.	.	S	Bend	trans	-79.9	163.1	175.2	-65.5	169.8	0	0	0	111.3	L92 Y101 Y104 P108 P109 L110 W118	L92-L106 HydrophobicContact CD1-CD1 4.15Å; Y101-L106 HydrophobicContact CD1-CD2 3.82Å; Y101-L106 HydrophobicContact CD2-CD2 4.31Å; Y101-L106 HydrophobicContact CG-CD2 3.68Å; Y104-L106 VanDerWaalsContact C-N 3.28Å; L106-P108 VanDerWaalsContact C-C 3.44Å; L106-P108 CarbonylContact C-O 3.55Å; L106-P108 VanDerWaalsContact C-O 3.32Å; L106-P108 WeakPolarHBondContact CB-O 3.4Å; L106-P108 CarbonylContact O-C 3.53Å; L106-P108 VanDerWaalsContact O-C 3.24Å; L106-P109 WeakPolarHBondContact O-CD 3.05Å; L106-P109 VanDerWaalsContact O-N 3.11Å; L106-L110 HydrophobicContact CD1-CD1 3.51Å; L106-L110 HydrophobicContact CD1-CG 3.81Å; L106-W118 HydrophobicContact CD1-CZ2 3.85Å; L106-W118 HydrophobicContact CD2-CH2 4.38Å; L106-W118 HydrophobicContact CD2-CZ2 3.77Å; L106-W118 HydrophobicContact CG-CZ2 4.46Å
107	S	74.2	Confident	84.1	Confident	124 Å²	124	61.6 Å²	61.6	87%	0.867	37%	0.368	S	S	*	.	S	Bend	trans	-126.7	106.2	175.9	-56.9	0	0	0	0	109.1
108	P	83.4	Confident	84.6	Confident	108 Å²	108	62.4 Å²	62.4	70%	0.701	37%	0.371	S	S	*	.	S	Bend	cis	-68.8	158.2	-6.4	30.3	-34.9	0	0	0	113.2	L106	L106-P108 VanDerWaalsContact C-C 3.44Å; L106-P108 CarbonylContact C-O 3.55Å; L106-P108 VanDerWaalsContact C-O 3.32Å; L106-P108 WeakPolarHBondContact CB-O 3.4Å; L106-P108 CarbonylContact O-C 3.53Å; L106-P108 VanDerWaalsContact O-C 3.24Å
109	P	88.1	Confident	84.6	Confident	80 Å²	80	61.6 Å²	61.6	52%	0.519	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-54.1	143.4	168.3	-29.3	38.5	0	0	0	111.9	L106	L106-P109 WeakPolarHBondContact O-CD 3.05Å; L106-P109 VanDerWaalsContact O-N 3.11Å
110	L	86.2	Confident	84.6	Confident	60 Å²	60	60.6 Å²	60.6	31%	0.314	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-96.7	123.7	172.7	-64.4	179.4	0	0	0	110.1	L92 T103 L106 A112 P114	L92-L110 HydrophobicContact CD1-CD1 4.13Å; T103-L110 WeakPolarHBondContact CB-O 3.34Å; T103-L110 PolarHBondContact O-N 2.88Å; L106-L110 HydrophobicContact CD1-CD1 3.51Å; L106-L110 HydrophobicContact CD1-CG 3.81Å; L110-A112 PolarHBondContact O-N 3.43Å; L110-P114 HydrophobicContact CD1-CG 4.18Å
111	D	83.7	Confident	84.3	Confident	173 Å²	173	66.2 Å²	66.2	93%	0.925	38%	0.382	S	S	*	.	S	Bend	trans	-69.4	-22.1	176.7	-62.3	-38.8	0	0	0	112.9
112	A	83.8	Confident	83.6	Confident	70 Å²	70	69.3 Å²	69.3	58%	0.579	39%	0.393	S	S	*	.	S	Bend	trans	-142.9	154.5	179.7	0	0	0	0	0	111.9	L110	L110-A112 PolarHBondContact O-N 3.43Å
113	I	83.2	Confident	82.9	Confident	98 Å²	98	69.9 Å²	69.9	50%	0.503	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-60.2	124.2	172.2	-64	171.8	0	0	0	108.6	L92 T103	L92-I113 HydrophobicContact CD2-CB 4.39Å; L92-I113 HydrophobicContact CD2-CG1 4.22Å; L92-I113 HydrophobicContact CD2-CG2 3.81Å; T103-I113 HydrophobicContact CG2-CG1 4.17Å
114	P	82.4	Confident	82.3	Confident	40 Å²	40	70.2 Å²	70.2	26%	0.26	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-62.5	139.4	-176.4	23	-31.8	0	0	0	111.6	L92 L110 W118	L92-P114 HydrophobicContact CD1-CG 4.07Å; L110-P114 HydrophobicContact CD1-CG 4.18Å; P114-W118 HydrophobicContact CB-CB 4.39Å; P114-W118 HydrophobicContact CG-CB 3.65Å; P114-W118 VanDerWaalsContact CG-CD1 3.44Å; P114-W118 HydrophobicContact CG-CG 3.61Å
115	Q	77	Confident	81.7	Confident	184 Å²	184	67.1 Å²	67.1	86%	0.86	39%	0.393	S	S	*	.	S	Bend	trans	-82.6	131.6	174.5	-65.6	-176	14.7	0	0	110.5
116	G	76.8	Confident	81	Confident	52 Å²	52	65.8 Å²	65.8	54%	0.536	38%	0.384	S	S	.	.	S	Bend	trans	92.8	-159.8	-179.5	0	0	0	0	0	112.2	W118	G116-W118 PolarHBondContact O-N 3.04Å
117	A	75.8	Confident	80.3	Confident	47 Å²	47	68.3 Å²	68.3	39%	0.388	40%	0.395	S	S	.	.			trans	-74.7	126	-178.5	0	0	0	0	0	110.4	D95	D95-A117 VanDerWaalsContact OD2-C 3.29Å; D95-A117 WeakPolarHBondContact OD2-CA 3.28Å; D95-A117 WeakPolarHBondContact OD2-CB 3.47Å
118	W	84.9	Confident	80.2	Confident	21 Å²	21	63.1 Å²	63.1	8%	0.08	36%	0.357	C	S	.	.			trans	-110.1	141.3	176	178.6	80.8	0	0	0	111	L92 C94 D95 Y101 L106 P114 G116 C120	L92-W118 HydrophobicContact CB-CD2 4.3Å; L92-W118 HydrophobicContact CB-CE3 3.84Å; L92-W118 HydrophobicContact CB-CH2 4.13Å; L92-W118 HydrophobicContact CB-CZ3 3.73Å; L92-W118 HydrophobicContact CD1-CD2 4.19Å; L92-W118 HydrophobicContact CD1-CZ2 4.41Å; C94-W118 HydrophobicContact CB-CZ3 4.09Å; D95-W118 PolarHBondContact N-O 3.46Å; D95-W118 VanDerWaalsContact N-O 3.11Å; D95-W118 PolarHBondContact OD2-N 3.06Å; Y101-W118 AromaticContact CD2-CH2 3.9Å; Y101-W118 HydrophobicContact CD2-CH2 3.9Å; Y101-W118 HydrophobicContact CG-CH2 4.4Å; L106-W118 HydrophobicContact CD1-CZ2 3.85Å; L106-W118 HydrophobicContact CD2-CH2 4.38Å; L106-W118 HydrophobicContact CD2-CZ2 3.77Å; L106-W118 HydrophobicContact CG-CZ2 4.46Å; P114-W118 HydrophobicContact CB-CB 4.39Å; P114-W118 HydrophobicContact CG-CB 3.65Å; P114-W118 VanDerWaalsContact CG-CD1 3.44Å; P114-W118 HydrophobicContact CG-CG 3.61Å; G116-W118 PolarHBondContact O-N 3.04Å; W118-C120 HydrophobicContact CH2-CB 4.02Å; W118-C120 HydrophobicContact CZ3-CB 4.5Å
119	R	80.4	Confident	79.7	Confident	45 Å²	45	60.3 Å²	60.3	17%	0.17	34%	0.339	C	S	.	.			trans	-133	138.5	-176.7	-64.7	176.2	-170.4	-106.9	-21.2	109.1	E96 C123	E96-R119 HydrophobicContact CG-CG 4.47Å; E96-R119 VanDerWaalsContact CG-CZ 3.47Å; E96-R119 IonicContact OE1-CZ 3.89Å; E96-R119 IonicContact OE1-NH1 3Å; E96-R119 PolarHBondContact OE1-NH1 3.35Å; E96-R119 IonicContact OE1-NH2 3.52Å; E96-R119 PolarHBondContact OE1-NH2 3.24Å; R119-C123 HydrophobicContact CB-CB 4.03Å
120	C	83.8	Confident	78.9	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	34%	0.338	C	S	.	.			trans	-67.8	162.7	175.4	73.8	0	0	0	0	110.9	C94 I99 Y101 W118 W122 C123 S124	C94-C120 HydrophobicContact CB-CB 4.03Å; C94-C120 PolarHBondContact SG-N 2.77Å; I99-C120 HydrophobicContact CG2-CB 4.38Å; Y101-C120 HydrophobicContact CD2-CB 4.25Å; Y101-C120 HydrophobicContact CE2-CB 3.88Å; W118-C120 HydrophobicContact CH2-CB 4.02Å; W118-C120 HydrophobicContact CZ3-CB 4.5Å; C120-W122 PolarHBondContact O-N 3.41Å; C120-C123 PolarHBondContact O-N 3.05Å; C120-S124 PolarHBondContact O-N 3.33Å; C120-S124 VanDerWaalsContact O-N 3.09Å; C120-S124 PolarHBondContact O-OG 3.19Å
121	K	79.3	Confident	78.6	Confident	123 Å²	123	59 Å²	59	54%	0.535	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-19.8	-178.8	67.7	-176.5	178.1	-171.8	0	115.4	Y101 S124	Y101-K121 WeakPolarHBondContact OH-CE 3.24Å; K121-S124 WeakPolarHBondContact CA-OG 3.27Å; K121-S124 PolarHBondContact O-OG 3.41Å
122	W	76.6	Confident	78	Confident	70 Å²	70	54 Å²	54	27%	0.265	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-30.7	179	-55.2	-53.1	0	0	0	112.9	R69 E80 I99 Y101 C120 S125	R69-W122 VanDerWaalsContact CZ-CD2 3.46Å; R69-W122 VanDerWaalsContact NH1-CH2 3.31Å; E80-W122 HydrophobicContact CB-CH2 4.13Å; E80-W122 HydrophobicContact CB-CZ3 4.39Å; E80-W122 HydrophobicContact CG-CH2 4.17Å; E80-W122 HydrophobicContact CG-CZ3 4.09Å; I99-W122 HydrophobicContact CD1-CE3 3.75Å; I99-W122 HydrophobicContact CD1-CZ3 3.73Å; I99-W122 HydrophobicContact CG2-CE3 4.05Å; I99-W122 HydrophobicContact CG2-CZ3 3.62Å; Y101-W122 HydrophobicContact CE2-CE3 4.48Å; Y101-W122 HydrophobicContact CE2-CH2 4.47Å; Y101-W122 HydrophobicContact CE2-CZ3 4.01Å; Y101-W122 AromaticContact CZ-CH2 3.96Å; Y101-W122 AromaticContact CZ-CZ3 3.95Å; Y101-W122 WeakPolarHBondContact OH-CH2 3.19Å; Y101-W122 VanDerWaalsContact OH-CZ2 3.24Å; Y101-W122 WeakPolarHBondContact OH-CZ2 3.49Å; Y101-W122 WeakPolarHBondContact OH-CZ3 3.4Å; C120-W122 PolarHBondContact O-N 3.41Å; W122-S125 PolarHBondContact O-OG 3.49Å
123	C	78	Confident	77.3	Confident	13 Å²	13	53.4 Å²	53.4	9%	0.088	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-11.6	175.6	-68.5	0	0	0	0	112.7	E96 R119 C120	E96-C123 HydrophobicContact CB-CB 4.35Å; R119-C123 HydrophobicContact CB-CB 4.03Å; C120-C123 PolarHBondContact O-N 3.05Å
124	S	80.4	Confident	76.4	Confident	13 Å²	13	53.3 Å²	53.3	9%	0.091	32%	0.315	C	S	.	.	S	Bend	trans	-89.5	-13.3	171.9	64.7	0	0	0	0	113.8	C120 K121 S132	C120-S124 PolarHBondContact O-N 3.33Å; C120-S124 VanDerWaalsContact O-N 3.09Å; C120-S124 PolarHBondContact O-OG 3.19Å; K121-S124 WeakPolarHBondContact CA-OG 3.27Å; K121-S124 PolarHBondContact O-OG 3.41Å; S124-S132 PolarHBondContact OG-OG 3.11Å
125	S	79.2	Confident	75.2	Confident	33 Å²	33	55.8 Å²	55.8	23%	0.231	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-84.9	143	178.9	56	0	0	0	0	113.1	W122 H127 V131	W122-S125 PolarHBondContact O-OG 3.49Å; S125-H127 PolarHBondContact O-N 3.22Å; S125-V131 CarbonylContact C-O 3.24Å; S125-V131 WeakPolarHBondContact CA-O 3.43Å
126	C	77.5	Confident	74.4	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.02	32%	0.324	C	S	.	.			trans	-62.2	127	172	-179.5	0	0	0	0	111.3	F128 G130 V131 M138 C147	C126-F128 PolarHBondContact O-N 3.37Å; C126-F128 PolarHBondContact SG-N 3.23Å; C126-F128 VanDerWaalsContact SG-N 3.43Å; C126-G130 WeakPolarHBondContact O-CA 3.38Å; C126-G130 PolarHBondContact O-N 3.26Å; C126-V131 HydrophobicContact CB-CG1 3.89Å; C126-V131 WeakPolarHBondContact CB-O 3.49Å; C126-V131 PolarHBondContact N-O 3.1Å; C126-M138 HydrophobicContact CB-CE 3.71Å; C126-C147 HydrophobicContact CB-CB 4.04Å; C126-C147 PolarHBondContact SG-N 2.83Å
127	H	71.2	Confident	74	Confident	78 Å²	78	50.5 Å²	50.5	36%	0.361	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-33.7	177.4	-175.5	79.7	0	0	0	112.3	S125 L144 R145	S125-H127 PolarHBondContact O-N 3.22Å; H127-L144 HydrophobicContact CB-CB 4.38Å; H127-R145 WeakPolarHBondContact CB-O 2.98Å; H127-R145 PolarHBondContact N-O 2.86Å
128	F	71.8	Confident	73.9	Confident	15 Å²	15	49.2 Å²	49.2	7%	0.066	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-50.6	-170.7	-63.9	-60.9	0	0	0	113.6	C126 I141 L144 A146 C150 F154 L245	C126-F128 PolarHBondContact O-N 3.37Å; C126-F128 PolarHBondContact SG-N 3.23Å; C126-F128 VanDerWaalsContact SG-N 3.43Å; F128-I141 HydrophobicContact CD2-CD1 4.46Å; F128-I141 HydrophobicContact CE2-CD1 3.6Å; F128-I141 HydrophobicContact CE2-CG1 4.48Å; F128-I141 HydrophobicContact CZ-CD1 4.21Å; F128-L144 HydrophobicContact CE1-CD1 4.42Å; F128-L144 HydrophobicContact CE2-CB 4.48Å; F128-L144 HydrophobicContact CZ-CB 4.3Å; F128-L144 HydrophobicContact CZ-CD1 4.09Å; F128-A146 HydrophobicContact CD2-CB 3.68Å; F128-A146 HydrophobicContact CE2-CB 3.73Å; F128-C150 HydrophobicContact CB-CB 3.89Å; F128-C150 HydrophobicContact CD2-CB 3.81Å; F128-C150 HydrophobicContact CG-CB 4.22Å; F128-F154 HydrophobicContact CE1-CE2 4.38Å; F128-F154 HydrophobicContact CE1-CZ 4.01Å; F128-F154 HydrophobicContact CE2-CE2 4.05Å; F128-F154 HydrophobicContact CE2-CZ 4.33Å; F128-F154 AromaticContact CZ-CE2 3.88Å; F128-F154 HydrophobicContact CZ-CE2 3.88Å; F128-F154 AromaticContact CZ-CZ 3.69Å; F128-F154 HydrophobicContact CZ-CZ 3.69Å; F128-L245 HydrophobicContact CB-CD2 3.5Å; F128-L245 HydrophobicContact CD1-CD1 3.58Å; F128-L245 HydrophobicContact CD1-CD2 3.12Å; F128-L245 HydrophobicContact CD1-CG 3.97Å; F128-L245 HydrophobicContact CD2-CD2 4.4Å; F128-L245 HydrophobicContact CE1-CD1 3.59Å; F128-L245 HydrophobicContact CE1-CD2 3.88Å; F128-L245 HydrophobicContact CE1-CG 4.4Å; F128-L245 HydrophobicContact CG-CD2 3.41Å; F128-L245 VanDerWaalsContact CG-CD2 3.41Å
129	C	73.2	Confident	73.5	Confident	49 Å²	49	51.2 Å²	51.2	33%	0.331	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-5.8	-177.6	68.2	0	0	0	0	114.3	V131 C147 C150	C129-V131 VanDerWaalsContact C-N 3.26Å; C129-V131 PolarHBondContact O-N 3.3Å; C129-V131 WeakPolarHBondContact SG-CG1 3.42Å; C129-C147 VanDerWaalsContact SG-SG 3.67Å; C129-C150 VanDerWaalsContact SG-SG 3.67Å
130	G	71.6	Confident	73	Confident	48 Å²	48	54.4 Å²	54.4	50%	0.495	33%	0.33	S	S	.	.			trans	79.7	-7.3	179.3	0	0	0	0	0	115.7	C126 S132	C126-G130 WeakPolarHBondContact O-CA 3.38Å; C126-G130 PolarHBondContact O-N 3.26Å; G130-S132 PolarHBondContact O-N 3.1Å
131	V	79.4	Confident	72.1	Confident	64 Å²	64	56.1 Å²	56.1	39%	0.388	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-61	127.6	-178.6	77.1	0	0	0	0	110.8	S125 C126 C129 L133 C147	S125-V131 CarbonylContact C-O 3.24Å; S125-V131 WeakPolarHBondContact CA-O 3.43Å; C126-V131 HydrophobicContact CB-CG1 3.89Å; C126-V131 WeakPolarHBondContact CB-O 3.49Å; C126-V131 PolarHBondContact N-O 3.1Å; C129-V131 VanDerWaalsContact C-N 3.26Å; C129-V131 PolarHBondContact O-N 3.3Å; C129-V131 WeakPolarHBondContact SG-CG1 3.42Å; V131-L133 HydrophobicContact CG1-CG 4.33Å; V131-C147 HydrophobicContact CG1-CB 3.55Å
132	S	72.9	Confident	71.3	Confident	69 Å²	69	53 Å²	53	48%	0.483	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-92.3	116.1	174.9	-136.4	0	0	0	0	108.4	S124 G130	S124-S132 PolarHBondContact OG-OG 3.11Å; G130-S132 PolarHBondContact O-N 3.1Å
133	L	67.4	Low	70.3	Confident	57 Å²	57	51.7 Å²	51.7	30%	0.298	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-103.4	155.5	174.7	-66.3	174.3	0	0	0	109.9	V131 S137 M138 C147 P148	V131-L133 HydrophobicContact CG1-CG 4.33Å; L133-S137 WeakPolarHBondContact CB-OG 3.11Å; L133-M138 HydrophobicContact CB-CG 4.32Å; L133-M138 HydrophobicContact CB-SD 4.08Å; L133-M138 HydrophobicContact CD1-SD 3.75Å; L133-M138 HydrophobicContact CG-SD 4.14Å; L133-C147 HydrophobicContact CD1-CB 3.68Å; L133-P148 HydrophobicContact CD1-CG 4.47Å
134	S	65.5	Low	69.7	Low	95 Å²	95	52.4 Å²	52.4	66%	0.664	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-55	147	173.8	51.1	0	0	0	0	111.6	G136 S137	S134-G136 PolarHBondContact O-N 3.5Å; S134-S137 PolarHBondContact O-N 3.44Å; S134-S137 PolarHBondContact O-OG 3.08Å; S134-S137 VanDerWaalsContact O-OG 3.12Å
135	N	57.2	Low	69.3	Low	93 Å²	93	54 Å²	54	50%	0.497	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	115.3	-179.4	-69.3	-12.7	0	0	0	111.2
136	G	59.5	Low	69.2	Low	80 Å²	80	52.4 Å²	52.4	83%	0.825	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	120.3	-18.5	174.7	0	0	0	0	0	115.9	S134	S134-G136 PolarHBondContact O-N 3.5Å
137	S	68.2	Low	69.5	Low	45 Å²	45	52.5 Å²	52.5	32%	0.315	34%	0.337	S	S	.	.			trans	-96.8	11.8	-176.7	59.8	0	0	0	0	114.7	L133 S134 P148	L133-S137 WeakPolarHBondContact CB-OG 3.11Å; S134-S137 PolarHBondContact O-N 3.44Å; S134-S137 PolarHBondContact O-OG 3.08Å; S134-S137 VanDerWaalsContact O-OG 3.12Å; S137-P148 VanDerWaalsContact O-CD 3.24Å; S137-P148 WeakPolarHBondContact O-CD 3.37Å; S137-P148 WeakPolarHBondContact O-CG 3.44Å
138	M	75	Confident	70.1	Confident	20 Å²	20	49.8 Å²	49.8	10%	0.099	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-99.8	135.8	179.6	-68.7	-69.4	-70.9	0	0	110.3	C126 L133 R145 A146 C147	C126-M138 HydrophobicContact CB-CE 3.71Å; L133-M138 HydrophobicContact CB-CG 4.32Å; L133-M138 HydrophobicContact CB-SD 4.08Å; L133-M138 HydrophobicContact CD1-SD 3.75Å; L133-M138 HydrophobicContact CG-SD 4.14Å; M138-R145 VanDerWaalsContact CB-CD 3.49Å; M138-R145 HydrophobicContact CE-CB 3.95Å; M138-A146 WeakPolarHBondContact CE-O 3.1Å; M138-C147 VanDerWaalsContact CE-N 3.35Å; M138-C147 VanDerWaalsContact SD-CA 3.53Å; M138-C147 HydrophobicContact SD-CB 3.95Å
139	E	76.5	Confident	70.7	Confident	63 Å²	63	53.5 Å²	53.5	29%	0.294	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	152.9	177.7	-65.6	173.9	-159.9	0	0	109.4	A146 P148 A151 R177	E139-A146 PolarHBondContact N-O 3.18Å; E139-A146 PolarHBondContact O-N 3.01Å; E139-P148 WeakPolarHBondContact OE1-CB 3.42Å; E139-A151 HydrophobicContact CB-CB 3.6Å; E139-A151 HydrophobicContact CG-CB 4.28Å; E139-A151 WeakPolarHBondContact OE2-CB 3.49Å; E139-R177 IonicContact OE1-CZ 3.56Å; E139-R177 IonicContact OE1-NH1 3.43Å; E139-R177 PolarHBondContact OE1-NH1 3.32Å; E139-R177 IonicContact OE1-NH2 2.77Å; E139-R177 IonicContact OE2-NH1 3.48Å
140	L	69.1	Low	71.2	Confident	112 Å²	112	51.3 Å²	51.3	59%	0.586	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100	129.9	177.5	-82.6	84.5	0	0	0	109.6
141	I	64.1	Low	71.8	Confident	35 Å²	35	49.1 Å²	49.1	18%	0.179	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	100.1	167.4	-49.8	178.5	0	0	0	106.4	F128 N143 L144 A146 A151 F154	F128-I141 HydrophobicContact CD2-CD1 4.46Å; F128-I141 HydrophobicContact CE2-CD1 3.6Å; F128-I141 HydrophobicContact CE2-CG1 4.48Å; F128-I141 HydrophobicContact CZ-CD1 4.21Å; I141-N143 PolarHBondContact O-N 2.8Å; I141-L144 PolarHBondContact N-O 2.79Å; I141-L144 PolarHBondContact O-N 3.29Å; I141-A146 HydrophobicContact CD1-CB 3.61Å; I141-A146 HydrophobicContact CG1-CB 3.89Å; I141-A151 HydrophobicContact CD1-CB 4.32Å; I141-A151 HydrophobicContact CG1-CB 4.4Å; I141-F154 HydrophobicContact CD1-CB 4.17Å; I141-F154 HydrophobicContact CD1-CD2 3.09Å; I141-F154 HydrophobicContact CD1-CE2 3.38Å; I141-F154 HydrophobicContact CD1-CG 3.69Å; I141-F154 HydrophobicContact CD1-CZ 4.21Å; I141-F154 HydrophobicContact CG1-CD2 4.33Å; I141-F154 HydrophobicContact CG2-CB 4.05Å; I141-F154 HydrophobicContact CG2-CD1 3.84Å; I141-F154 HydrophobicContact CG2-CD2 4.24Å; I141-F154 HydrophobicContact CG2-CE1 4.28Å; I141-F154 HydrophobicContact CG2-CG 3.79Å
142	G	62.8	Low	72.2	Confident	59 Å²	59	46.2 Å²	46.2	61%	0.608	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	-118.3	-160	0	0	0	0	0	109.6
143	N	55.1	Low	72.7	Confident	42 Å²	42	43.2 Å²	43.2	23%	0.225	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-4.9	-176	-45.9	-53.2	0	0	0	113.5	Y64 I141 D343 L344 Y345	Y64-N143 HydrophobicContact CE1-CB 4.11Å; Y64-N143 VanDerWaalsContact CE1-O 3.32Å; Y64-N143 WeakPolarHBondContact CE1-O 3.21Å; Y64-N143 PolarHBondContact OH-O 2.88Å; I141-N143 PolarHBondContact O-N 2.8Å; N143-D343 PolarHBondContact OD1-O 2.99Å; N143-L344 VanDerWaalsContact CG-N 3.3Å; N143-L344 VanDerWaalsContact ND2-C 3.3Å; N143-L344 PolarHBondContact ND2-O 3.25Å; N143-L344 PolarHBondContact OD1-N 3.07Å; N143-Y345 WeakPolarHBondContact CB-O 3.49Å; N143-Y345 PolarHBondContact ND2-O 2.87Å
144	L	65.3	Low	73.4	Confident	27 Å²	27	42.6 Å²	42.6	14%	0.141	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	126.9	-175.9	-60.3	175	0	0	0	109.7	H127 F128 I141 A146	H127-L144 HydrophobicContact CB-CB 4.38Å; F128-L144 HydrophobicContact CE1-CD1 4.42Å; F128-L144 HydrophobicContact CE2-CB 4.48Å; F128-L144 HydrophobicContact CZ-CB 4.3Å; F128-L144 HydrophobicContact CZ-CD1 4.09Å; I141-L144 PolarHBondContact N-O 2.79Å; I141-L144 PolarHBondContact O-N 3.29Å; L144-A146 PolarHBondContact O-N 3.41Å
145	R	73	Confident	74.4	Confident	46 Å²	46	40 Å²	40	17%	0.174	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	119.6	175.5	-88.3	-86.9	172.8	93.8	-8.4	110.1	H127 M138	H127-R145 WeakPolarHBondContact CB-O 2.98Å; H127-R145 PolarHBondContact N-O 2.86Å; M138-R145 VanDerWaalsContact CB-CD 3.49Å; M138-R145 HydrophobicContact CE-CB 3.95Å
146	A	77.5	Confident	75.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	140.3	177.2	0	0	0	0	0	110.6	F128 M138 E139 I141 L144 C150 A151	F128-A146 HydrophobicContact CD2-CB 3.68Å; F128-A146 HydrophobicContact CE2-CB 3.73Å; M138-A146 WeakPolarHBondContact CE-O 3.1Å; E139-A146 PolarHBondContact N-O 3.18Å; E139-A146 PolarHBondContact O-N 3.01Å; I141-A146 HydrophobicContact CD1-CB 3.61Å; I141-A146 HydrophobicContact CG1-CB 3.89Å; L144-A146 PolarHBondContact O-N 3.41Å; A146-C150 HydrophobicContact CB-CB 4.06Å; A146-A151 HydrophobicContact CB-CB 3.92Å
147	C	82.7	Confident	76.8	Confident	6 Å²	6	36.9 Å²	36.9	4%	0.041	20%	0.198	C	C	.	.			trans	-65.1	156.9	165.3	71.5	0	0	0	0	108.2	C126 C129 V131 L133 M138 K149 C150 A151	C126-C147 HydrophobicContact CB-CB 4.04Å; C126-C147 PolarHBondContact SG-N 2.83Å; C129-C147 VanDerWaalsContact SG-SG 3.67Å; V131-C147 HydrophobicContact CG1-CB 3.55Å; L133-C147 HydrophobicContact CD1-CB 3.68Å; M138-C147 VanDerWaalsContact CE-N 3.35Å; M138-C147 VanDerWaalsContact SD-CA 3.53Å; M138-C147 HydrophobicContact SD-CB 3.95Å; C147-K149 PolarHBondContact O-N 2.84Å; C147-C150 PolarHBondContact O-N 3.4Å; C147-A151 WeakPolarHBondContact O-CB 3.29Å; C147-A151 PolarHBondContact O-N 2.96Å
148	P	83.6	Confident	77.5	Confident	20 Å²	20	37.4 Å²	37.4	13%	0.13	20%	0.195	C	C	.	.	H	α-helix	trans	-59.5	-24.3	-173.8	-24.9	33.5	0	0	0	114.8	L133 S137 E139 S152 R177	L133-P148 HydrophobicContact CD1-CG 4.47Å; S137-P148 VanDerWaalsContact O-CD 3.24Å; S137-P148 WeakPolarHBondContact O-CD 3.37Å; S137-P148 WeakPolarHBondContact O-CG 3.44Å; E139-P148 WeakPolarHBondContact OE1-CB 3.42Å; P148-S152 PolarHBondContact O-N 3.44Å; P148-R177 VanDerWaalsContact CB-NH1 3.32Å
149	K	85.4	Confident	78.2	Confident	94 Å²	94	39.6 Å²	39.6	41%	0.409	21%	0.211	S	C	.	.	H	α-helix	trans	-66.4	-52.6	169.9	-63.7	-175.3	177.8	-170.4	0	111.4	C147 A151 S152 H176	C147-K149 PolarHBondContact O-N 2.84Å; K149-A151 VanDerWaalsContact C-N 3.32Å; K149-A151 PolarHBondContact O-N 3.27Å; K149-S152 PolarHBondContact O-N 2.87Å; K149-S152 PolarHBondContact O-OG 2.81Å; K149-H176 HydrophobicContact CD-CB 3.83Å; K149-H176 HydrophobicContact CG-CB 4.24Å; K149-H176 PolarHBondContact NZ-CD2 3.02Å; K149-H176 VanDerWaalsContact NZ-CD2 3.25Å
150	C	83.5	Confident	78.6	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.014	23%	0.229	C	C	.	.	H	α-helix	trans	-68.5	-31.2	178.7	-65.9	0	0	0	0	113	F128 C129 A146 C147 S152 L153 F154	F128-C150 HydrophobicContact CB-CB 3.89Å; F128-C150 HydrophobicContact CD2-CB 3.81Å; F128-C150 HydrophobicContact CG-CB 4.22Å; C129-C150 VanDerWaalsContact SG-SG 3.67Å; A146-C150 HydrophobicContact CB-CB 4.06Å; C147-C150 PolarHBondContact O-N 3.4Å; C150-S152 VanDerWaalsContact C-N 3.34Å; C150-L153 WeakPolarHBondContact O-CB 3.41Å; C150-L153 PolarHBondContact O-N 2.97Å; C150-F154 WeakPolarHBondContact O-CD2 3.28Å
151	A	84.5	Confident	79.4	Confident	2 Å²	2	40.1 Å²	40.1	2%	0.017	22%	0.219	C	C	.	.	H	α-helix	trans	-62.3	-43.1	176.8	0	0	0	0	0	112.3	E139 I141 A146 C147 K149 L153 F154	E139-A151 HydrophobicContact CB-CB 3.6Å; E139-A151 HydrophobicContact CG-CB 4.28Å; E139-A151 WeakPolarHBondContact OE2-CB 3.49Å; I141-A151 HydrophobicContact CD1-CB 4.32Å; I141-A151 HydrophobicContact CG1-CB 4.4Å; A146-A151 HydrophobicContact CB-CB 3.92Å; C147-A151 WeakPolarHBondContact O-CB 3.29Å; C147-A151 PolarHBondContact O-N 2.96Å; K149-A151 VanDerWaalsContact C-N 3.32Å; K149-A151 PolarHBondContact O-N 3.27Å; A151-L153 PolarHBondContact O-N 3.49Å; A151-F154 PolarHBondContact O-N 3.47Å
152	S	88.5	Confident	80.3	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.021	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.2	179.9	72.3	0	0	0	0	114.6	P148 K149 C150 F154 S155 Y163 R177 W178	P148-S152 PolarHBondContact O-N 3.44Å; K149-S152 PolarHBondContact O-N 2.87Å; K149-S152 PolarHBondContact O-OG 2.81Å; C150-S152 VanDerWaalsContact C-N 3.34Å; S152-F154 PolarHBondContact O-N 3.36Å; S152-S155 WeakPolarHBondContact CA-O 3.42Å; S152-S155 VanDerWaalsContact O-O 3.11Å; S152-Y163 WeakPolarHBondContact O-CE2 2.91Å; S152-Y163 PolarHBondContact O-OH 3.18Å; S152-R177 WeakPolarHBondContact OG-CA 3.39Å; S152-W178 WeakPolarHBondContact O-CB 3.49Å; S152-W178 PolarHBondContact OG-N 3.13Å
153	L	82.7	Confident	81.3	Confident	6 Å²	6	43.8 Å²	43.8	3%	0.031	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.5	174.8	-79.9	154.3	0	0	0	113.7	C150 A151 Y163 W178 L244 L245 F248	C150-L153 WeakPolarHBondContact O-CB 3.41Å; C150-L153 PolarHBondContact O-N 2.97Å; A151-L153 PolarHBondContact O-N 3.49Å; L153-Y163 WeakPolarHBondContact O-CD2 3.26Å; L153-W178 HydrophobicContact CD2-CD2 4.43Å; L153-W178 HydrophobicContact CD2-CG 4.32Å; L153-W178 VanDerWaalsContact CD2-NE1 3.27Å; L153-L244 HydrophobicContact CD2-CB 3.89Å; L153-L244 HydrophobicContact CD2-CD1 3.8Å; L153-L244 HydrophobicContact CD2-CD2 4.18Å; L153-L244 HydrophobicContact CD2-CG 4.18Å; L153-L245 HydrophobicContact CD1-CD2 4.4Å; L153-F248 HydrophobicContact CD1-CD2 3.85Å; L153-F248 HydrophobicContact CD1-CE2 3.72Å; L153-F248 HydrophobicContact CD2-CE2 4.13Å; L153-F248 HydrophobicContact CG-CE2 4.3Å
154	F	81.7	Confident	82.4	Confident	45 Å²	45	49 Å²	49	20%	0.197	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-30.9	-173.1	-63.7	-101.2	0	0	0	112	F128 I141 C150 A151 S152 E162 Y163 T241 L245	F128-F154 HydrophobicContact CE1-CE2 4.38Å; F128-F154 HydrophobicContact CE1-CZ 4.01Å; F128-F154 HydrophobicContact CE2-CE2 4.05Å; F128-F154 HydrophobicContact CE2-CZ 4.33Å; F128-F154 AromaticContact CZ-CE2 3.88Å; F128-F154 HydrophobicContact CZ-CE2 3.88Å; F128-F154 AromaticContact CZ-CZ 3.69Å; F128-F154 HydrophobicContact CZ-CZ 3.69Å; I141-F154 HydrophobicContact CD1-CB 4.17Å; I141-F154 HydrophobicContact CD1-CD2 3.09Å; I141-F154 HydrophobicContact CD1-CE2 3.38Å; I141-F154 HydrophobicContact CD1-CG 3.69Å; I141-F154 HydrophobicContact CD1-CZ 4.21Å; I141-F154 HydrophobicContact CG1-CD2 4.33Å; I141-F154 HydrophobicContact CG2-CB 4.05Å; I141-F154 HydrophobicContact CG2-CD1 3.84Å; I141-F154 HydrophobicContact CG2-CD2 4.24Å; I141-F154 HydrophobicContact CG2-CE1 4.28Å; I141-F154 HydrophobicContact CG2-CG 3.79Å; C150-F154 WeakPolarHBondContact O-CD2 3.28Å; A151-F154 PolarHBondContact O-N 3.47Å; S152-F154 PolarHBondContact O-N 3.36Å; F154-E162 WeakPolarHBondContact O-CA 3.34Å; F154-Y163 WeakPolarHBondContact O-CD2 3.32Å; F154-Y163 PolarHBondContact O-N 2.93Å; F154-T241 HydrophobicContact CD1-CG2 4.32Å; F154-T241 HydrophobicContact CE1-CG2 3.93Å; F154-T241 HydrophobicContact CZ-CG2 4.46Å; F154-L245 HydrophobicContact CZ-CD1 4.23Å
155	S	85.6	Confident	82.8	Confident	40 Å²	40	53.6 Å²	53.6	28%	0.28	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-138.4	142.5	177.5	60.4	0	0	0	0	112	S152 R157 A161	S152-S155 WeakPolarHBondContact CA-O 3.42Å; S152-S155 VanDerWaalsContact O-O 3.11Å; S155-R157 PolarHBondContact O-N 3.47Å; S155-A161 VanDerWaalsContact CA-O 3.31Å; S155-A161 WeakPolarHBondContact CA-O 3.43Å
156	C	87.5	Confident	82.8	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.274	C	S	.	.			trans	-69.2	128.8	179.7	175.1	0	0	0	0	111.1	F158 C159 Q160 A161 Y163 H180	C156-F158 PolarHBondContact O-N 3.46Å; C156-F158 VanDerWaalsContact O-N 3.11Å; C156-C159 VanDerWaalsContact CB-SG 3.54Å; C156-Q160 WeakPolarHBondContact O-CA 3.49Å; C156-Q160 PolarHBondContact O-N 3.38Å; C156-A161 PolarHBondContact N-O 2.94Å; C156-Y163 WeakPolarHBondContact CA-OH 3.38Å; C156-Y163 HydrophobicContact CB-CE1 3.73Å; C156-H180 WeakPolarHBondContact CB-ND1 3.01Å; C156-H180 PolarHBondContact SG-N 3.07Å; C156-H180 PolarHBondContact SG-ND1 3.43Å; C156-H180 VanDerWaalsContact SG-ND1 3.38Å
157	R	80.2	Confident	83.1	Confident	108 Å²	108	57.5 Å²	57.5	41%	0.408	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-26.4	-178.4	-177.6	58.8	-167	116	-7.9	114.2	S155 L204	S155-R157 PolarHBondContact O-N 3.47Å; R157-L204 HydrophobicContact CG-CD1 4.16Å
158	F	84.1	Confident	83.1	Confident	56 Å²	56	59.4 Å²	59.4	25%	0.246	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-63.8	-177.1	-74.8	-79.1	0	0	0	112.7	C156 C183 N184 C202 V203 L204	C156-F158 PolarHBondContact O-N 3.46Å; C156-F158 VanDerWaalsContact O-N 3.11Å; F158-C183 HydrophobicContact CB-CB 3.74Å; F158-C183 HydrophobicContact CD2-CB 4.2Å; F158-C183 HydrophobicContact CG-CB 4.12Å; F158-N184 WeakPolarHBondContact CE2-OD1 3.41Å; F158-N184 WeakPolarHBondContact CZ-OD1 3.37Å; F158-C202 HydrophobicContact CE2-CB 4.02Å; F158-C202 HydrophobicContact CZ-CB 4.1Å; F158-V203 HydrophobicContact CD1-CG1 4.17Å; F158-V203 HydrophobicContact CE1-CG1 3.11Å; F158-V203 HydrophobicContact CE2-CG1 4.47Å; F158-V203 HydrophobicContact CZ-CB 4.42Å; F158-V203 HydrophobicContact CZ-CG1 3.3Å; F158-L204 HydrophobicContact CE1-CD1 3.92Å; F158-L204 HydrophobicContact CE1-CD2 4.1Å; F158-L204 HydrophobicContact CE1-CG 3.55Å; F158-L204 HydrophobicContact CZ-CB 4.44Å; F158-L204 HydrophobicContact CZ-CD1 4Å; F158-L204 HydrophobicContact CZ-CG 3.68Å
159	C	88.5	Confident	83.3	Confident	65 Å²	65	58.5 Å²	58.5	44%	0.439	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-8.7	-176.9	64.8	0	0	0	0	113.2	C156 A161 H180	C156-C159 VanDerWaalsContact CB-SG 3.54Å; C159-A161 PolarHBondContact O-N 2.91Å; C159-A161 VanDerWaalsContact SG-CB 3.6Å; C159-H180 PolarHBondContact SG-ND1 2.94Å; C159-H180 VanDerWaalsContact SG-ND1 3.41Å
160	Q	85.6	Confident	83.4	Confident	141 Å²	141	54 Å²	54	66%	0.659	27%	0.269	S	S	*	.			trans	59.9	6.5	-175.5	-55.2	179.3	13.7	0	0	114.4	C156	C156-Q160 WeakPolarHBondContact O-CA 3.49Å; C156-Q160 PolarHBondContact O-N 3.38Å
161	A	86.5	Confident	83.6	Confident	45 Å²	45	54.8 Å²	54.8	37%	0.372	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-74.4	142.7	175.5	0	0	0	0	0	110.7	S155 C156 C159	S155-A161 VanDerWaalsContact CA-O 3.31Å; S155-A161 WeakPolarHBondContact CA-O 3.43Å; C156-A161 PolarHBondContact N-O 2.94Å; C159-A161 PolarHBondContact O-N 2.91Å; C159-A161 VanDerWaalsContact SG-CB 3.6Å
162	E	82.7	Confident	83.9	Confident	157 Å²	157	54.7 Å²	54.7	73%	0.734	27%	0.271	S	S	*	.	B	Isolated β-bridge	trans	-64.7	144.6	168	-64.8	-178	165.9	0	0	110.4	F154	F154-E162 WeakPolarHBondContact O-CA 3.34Å
163	Y	83	Confident	83.7	Confident	14 Å²	14	56.9 Å²	56.9	6%	0.055	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-70.6	134.9	176.4	-58.9	-61.8	0	0	0	111.2	S152 L153 F154 C156 D167 I169 W178 S179 H180 F236	S152-Y163 WeakPolarHBondContact O-CE2 2.91Å; S152-Y163 PolarHBondContact O-OH 3.18Å; L153-Y163 WeakPolarHBondContact O-CD2 3.26Å; F154-Y163 WeakPolarHBondContact O-CD2 3.32Å; F154-Y163 PolarHBondContact O-N 2.93Å; C156-Y163 WeakPolarHBondContact CA-OH 3.38Å; C156-Y163 HydrophobicContact CB-CE1 3.73Å; Y163-D167 WeakPolarHBondContact CA-OD2 3.29Å; Y163-I169 HydrophobicContact CD1-CG2 3.33Å; Y163-I169 HydrophobicContact CD2-CG2 4.41Å; Y163-I169 HydrophobicContact CE1-CB 4.32Å; Y163-I169 HydrophobicContact CE1-CG2 3.26Å; Y163-I169 HydrophobicContact CE2-CG2 4.33Å; Y163-I169 HydrophobicContact CG-CG2 3.93Å; Y163-W178 HydrophobicContact CE2-CB 4.49Å; Y163-W178 WeakPolarHBondContact OH-CB 3.38Å; Y163-W178 PolarHBondContact OH-O 2.72Å; Y163-S179 VanDerWaalsContact OH-CA 3.23Å; Y163-S179 WeakPolarHBondContact OH-CA 3.24Å; Y163-S179 PolarHBondContact OH-N 3.02Å; Y163-S179 VanDerWaalsContact OH-N 3.12Å; Y163-H180 AromaticContact CD1-CD2 3.77Å; Y163-H180 AromaticContact CD1-CE1 3.69Å; Y163-H180 AromaticContact CD1-NE2 3.38Å; Y163-H180 WeakPolarHBondContact CD1-NE2 2.82Å; Y163-H180 AromaticContact CE1-CD2 3.92Å; Y163-H180 AromaticContact CE1-CE1 3.84Å; Y163-H180 AromaticContact CE1-CG 3.99Å; Y163-H180 AromaticContact CE1-ND1 3.96Å; Y163-H180 AromaticContact CE1-NE2 3.84Å; Y163-F236 AromaticContact CD2-CD2 3.99Å; Y163-F236 HydrophobicContact CD2-CD2 3.99Å; Y163-F236 AromaticContact CD2-CE2 3.95Å; Y163-F236 HydrophobicContact CD2-CE2 3.95Å; Y163-F236 HydrophobicContact CG-CD2 4.02Å; Y163-F236 HydrophobicContact CG-CE2 4.25Å; Y163-F236 HydrophobicContact CG-CG 4.34Å; Y163-F236 WeakPolarHBondContact O-CE1 3.35Å
164	K	78	Confident	83.9	Confident	153 Å²	153	60 Å²	60	67%	0.665	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-95	158.5	171.2	-63.3	179.2	-175.7	174.2	0	109.8	D166 D167 F236	K164-D166 PolarHBondContact O-N 3.02Å; K164-D167 PolarHBondContact N-OD2 2.77Å; K164-D167 VanDerWaalsContact O-CB 3.28Å; K164-D167 WeakPolarHBondContact O-CB 3.16Å; K164-D167 PolarHBondContact O-N 3.09Å; K164-D167 VanDerWaalsContact O-N 3.07Å; K164-F236 VanDerWaalsContact O-CD1 3.23Å; K164-F236 WeakPolarHBondContact O-CD1 3.06Å
165	E	75	Confident	84.3	Confident	122 Å²	122	59.5 Å²	59.5	57%	0.57	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	137.7	170.2	-169.7	155.2	-134.3	0	0	110	D167 F236 C237	E165-D167 VanDerWaalsContact C-N 3.29Å; E165-D167 PolarHBondContact O-N 3.21Å; E165-F236 CarbonylContact C-O 3.58Å; E165-F236 WeakPolarHBondContact CA-O 3.31Å; E165-C237 PolarHBondContact OE1-SG 2.98Å
166	D	71.2	Confident	84.4	Confident	88 Å²	88	61.1 Å²	61.1	47%	0.471	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	2.1	-173.2	-65	-35	0	0	0	117.7	K164 L168 R235 F236	K164-D166 PolarHBondContact O-N 3.02Å; D166-L168 PolarHBondContact O-N 3.27Å; D166-R235 HydrophobicContact CB-CG 4.41Å; D166-R235 VanDerWaalsContact CG-NE 3.34Å; D166-R235 VanDerWaalsContact CG-NH2 3.31Å; D166-R235 IonicContact OD1-CZ 2.69Å; D166-R235 IonicContact OD1-NE 2.91Å; D166-R235 PolarHBondContact OD1-NE 3.42Å; D166-R235 IonicContact OD1-NH2 3.88Å; D166-R235 PolarHBondContact OD1-NH2 2.86Å; D166-R235 IonicContact OD2-NH2 3.75Å; D166-R235 PolarHBondContact OD2-NH2 3.01Å; D166-F236 PolarHBondContact N-O 2.69Å
167	D	84.6	Confident	84.5	Confident	40 Å²	40	63.8 Å²	63.8	21%	0.214	32%	0.317	C	S	.	.			trans	-62.3	129.7	172.8	-80.3	-12.7	0	0	0	111.1	Y163 K164 E165 I169 H180 F236	Y163-D167 WeakPolarHBondContact CA-OD2 3.29Å; K164-D167 PolarHBondContact N-OD2 2.77Å; K164-D167 VanDerWaalsContact O-CB 3.28Å; K164-D167 WeakPolarHBondContact O-CB 3.16Å; K164-D167 PolarHBondContact O-N 3.09Å; K164-D167 VanDerWaalsContact O-N 3.07Å; E165-D167 VanDerWaalsContact C-N 3.29Å; E165-D167 PolarHBondContact O-N 3.21Å; D167-I169 HydrophobicContact CB-CG2 4.43Å; D167-I169 PolarHBondContact O-N 3.43Å; D167-H180 IonicContact OD2-CD2 2.77Å; D167-H180 IonicContact OD2-CE1 3.99Å; D167-H180 IonicContact OD2-NE2 2.81Å; D167-H180 PolarHBondContact OD2-NE2 3.02Å; D167-F236 HydrophobicContact CB-CB 4.24Å; D167-F236 WeakPolarHBondContact O-CB 3.35Å; D167-F236 PolarHBondContact O-N 2.74Å
168	L	83.1	Confident	85	Confident	47 Å²	47	58.8 Å²	58.8	25%	0.246	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	117.2	171.6	-67.3	172.2	0	0	0	109.9	D166 H180 A181 D189 L192	D166-L168 PolarHBondContact O-N 3.27Å; L168-H180 WeakPolarHBondContact O-CA 3.09Å; L168-A181 HydrophobicContact CB-CB 3.89Å; L168-A181 WeakPolarHBondContact O-CB 3.49Å; L168-A181 PolarHBondContact O-N 3.28Å; L168-D189 WeakPolarHBondContact CD1-OD1 3.28Å; L168-L192 HydrophobicContact CB-CD2 3.75Å; L168-L192 HydrophobicContact CD1-CD2 3.95Å; L168-L192 HydrophobicContact CD2-CD2 4Å; L168-L192 HydrophobicContact CG-CD2 4.11Å
169	I	87.3	Confident	85.3	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	143.5	-179.3	64	168.4	0	0	0	111	Y163 D167 W178 S179 F234 F236	Y163-I169 HydrophobicContact CD1-CG2 3.33Å; Y163-I169 HydrophobicContact CD2-CG2 4.41Å; Y163-I169 HydrophobicContact CE1-CB 4.32Å; Y163-I169 HydrophobicContact CE1-CG2 3.26Å; Y163-I169 HydrophobicContact CE2-CG2 4.33Å; Y163-I169 HydrophobicContact CG-CG2 3.93Å; D167-I169 HydrophobicContact CB-CG2 4.43Å; D167-I169 PolarHBondContact O-N 3.43Å; I169-W178 HydrophobicContact CB-CE3 4.09Å; I169-W178 HydrophobicContact CD1-CD2 4.18Å; I169-W178 HydrophobicContact CD1-CE3 3.6Å; I169-W178 HydrophobicContact CD1-CZ3 4.06Å; I169-W178 HydrophobicContact CG1-CE3 3.73Å; I169-W178 HydrophobicContact CG1-CZ3 4.02Å; I169-S179 WeakPolarHBondContact CA-O 3.4Å; I169-F234 HydrophobicContact CD1-CB 4.2Å; I169-F234 HydrophobicContact CG1-CB 3.93Å; I169-F234 VanDerWaalsContact CG1-O 3.3Å; I169-F234 WeakPolarHBondContact CG1-O 3.49Å; I169-F234 PolarHBondContact N-O 2.94Å; I169-F234 PolarHBondContact O-N 2.94Å; I169-F236 HydrophobicContact CD1-CB 4.45Å; I169-F236 HydrophobicContact CD1-CD2 4.14Å; I169-F236 HydrophobicContact CG2-CB 4.47Å
170	I	87.7	Confident	85.4	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	143.5	-179.9	-170.8	160.1	0	0	0	111.5	W178 S179 L186 L192 A195 A196 F200	I170-W178 WeakPolarHBondContact O-CA 3.21Å; I170-S179 PolarHBondContact N-O 2.86Å; I170-S179 PolarHBondContact O-N 3.1Å; I170-S179 VanDerWaalsContact O-N 3.13Å; I170-L186 HydrophobicContact CD1-CD1 4.02Å; I170-L186 HydrophobicContact CG2-CD1 4.37Å; I170-L192 HydrophobicContact CB-CD1 3.93Å; I170-L192 HydrophobicContact CD1-CD1 3.67Å; I170-L192 HydrophobicContact CG1-CD1 4.34Å; I170-L192 HydrophobicContact CG2-CD1 4.3Å; I170-A195 HydrophobicContact CD1-CB 4.26Å; I170-A196 HydrophobicContact CD1-CB 4.14Å; I170-F200 HydrophobicContact CB-CD1 4.34Å; I170-F200 HydrophobicContact CB-CE1 4.44Å; I170-F200 HydrophobicContact CD1-CB 3.6Å; I170-F200 HydrophobicContact CD1-CD1 3.87Å; I170-F200 HydrophobicContact CD1-CD2 4.06Å; I170-F200 HydrophobicContact CD1-CG 3.57Å; I170-F200 HydrophobicContact CG1-CB 4.09Å; I170-F200 HydrophobicContact CG1-CD1 3.63Å; I170-F200 HydrophobicContact CG1-CE1 4.21Å; I170-F200 HydrophobicContact CG1-CG 3.89Å; I170-F200 HydrophobicContact CG2-CD1 3.89Å; I170-F200 HydrophobicContact CG2-CE1 3.54Å; I170-F200 HydrophobicContact CG2-CE2 4.43Å; I170-F200 HydrophobicContact CG2-CG 4.47Å; I170-F200 HydrophobicContact CG2-CZ 3.83Å
171	L	88.3	Confident	85.5	Confident	17 Å²	17	47.2 Å²	47.2	9%	0.089	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	123.8	178.9	-179.7	62.6	0	0	0	111.2	H176 W178 K232	L171-H176 VanDerWaalsContact CD1-C 3.4Å; L171-H176 HydrophobicContact CD1-CB 4.43Å; L171-W178 HydrophobicContact CB-CD2 4.13Å; L171-W178 HydrophobicContact CB-CE3 4.1Å; L171-W178 HydrophobicContact CB-CH2 3.91Å; L171-W178 HydrophobicContact CB-CZ2 3.98Å; L171-W178 HydrophobicContact CB-CZ3 4Å; L171-W178 HydrophobicContact CD1-CD2 4.28Å; L171-W178 HydrophobicContact CD1-CG 4.33Å; L171-W178 HydrophobicContact CD1-CZ2 4.4Å; L171-W178 HydrophobicContact CD2-CZ2 4.15Å; L171-W178 HydrophobicContact CG-CZ2 4.41Å; L171-K232 PolarHBondContact N-O 2.61Å
172	C	89.7	Confident	85.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.246	C	C	.	.			trans	-73.3	131	172.6	176.6	0	0	0	0	111.7	V174 C175 H176 R177 F200 C202	C172-V174 VanDerWaalsContact C-N 3.28Å; C172-V174 PolarHBondContact O-N 3.42Å; C172-V174 PolarHBondContact SG-N 3.15Å; C172-C175 VanDerWaalsContact SG-SG 3.6Å; C172-H176 WeakPolarHBondContact O-CA 3.28Å; C172-H176 PolarHBondContact O-N 3Å; C172-R177 PolarHBondContact N-O 3.09Å; C172-F200 WeakPolarHBondContact CA-O 3.48Å; C172-F200 HydrophobicContact CB-CD1 4.3Å; C172-F200 HydrophobicContact CB-CE1 4.2Å; C172-C202 HydrophobicContact CB-CB 3.95Å; C172-C202 PolarHBondContact SG-N 2.89Å; C172-C202 VanDerWaalsContact SG-N 3.36Å
173	D	85.3	Confident	85.9	Confident	50 Å²	50	43.3 Å²	43.3	27%	0.267	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-21.5	179.5	-86.7	-1.5	0	0	0	114.1	H176 G199 F200 K232	D173-H176 PolarHBondContact O-CE1 3.37Å; D173-H176 VanDerWaalsContact O-CE1 3.22Å; D173-G199 WeakPolarHBondContact OD2-CA 3.04Å; D173-F200 PolarHBondContact N-O 3.43Å; D173-K232 WeakPolarHBondContact OD1-CD 3.36Å; D173-K232 WeakPolarHBondContact OD1-CE 3.35Å; D173-K232 IonicContact OD1-NZ 2.72Å; D173-K232 PolarHBondContact OD1-NZ 2.87Å; D173-K232 IonicContact OD2-NZ 3.67Å; D173-K232 PolarHBondContact OD2-NZ 2.91Å
174	V	87.1	Confident	86.1	Confident	71 Å²	71	43.5 Å²	43.5	43%	0.43	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-57.3	-177.2	180	0	0	0	0	111.3	C172 V201 C205	C172-V174 VanDerWaalsContact C-N 3.28Å; C172-V174 PolarHBondContact O-N 3.42Å; C172-V174 PolarHBondContact SG-N 3.15Å; V174-V201 HydrophobicContact CG2-CG1 3.85Å; V174-V201 HydrophobicContact CG2-CG2 3.96Å; V174-C205 HydrophobicContact CB-CB 3.9Å; V174-C205 HydrophobicContact CG1-CB 4.03Å; V174-C205 HydrophobicContact CG2-CB 4.37Å
175	C	88.8	Confident	86.4	Confident	34 Å²	34	38.4 Å²	38.4	23%	0.23	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-11.7	-178.4	65	0	0	0	0	113.7	C172 R177	C172-C175 VanDerWaalsContact SG-SG 3.6Å; C175-R177 HydrophobicContact CB-CG 4.31Å; C175-R177 PolarHBondContact O-N 3.48Å
176	H	88.3	Confident	86.8	Confident	75 Å²	75	33 Å²	33	35%	0.347	19%	0.193	S	C	.	.			trans	52.7	40.5	-174.6	-52.6	-77.6	0	0	0	113.2	K149 L171 C172 D173	K149-H176 HydrophobicContact CD-CB 3.83Å; K149-H176 HydrophobicContact CG-CB 4.24Å; K149-H176 PolarHBondContact NZ-CD2 3.02Å; K149-H176 VanDerWaalsContact NZ-CD2 3.25Å; L171-H176 VanDerWaalsContact CD1-C 3.4Å; L171-H176 HydrophobicContact CD1-CB 4.43Å; C172-H176 WeakPolarHBondContact O-CA 3.28Å; C172-H176 PolarHBondContact O-N 3Å; D173-H176 PolarHBondContact O-CE1 3.37Å; D173-H176 VanDerWaalsContact O-CE1 3.22Å
177	R	90.2	Very high	87.2	Confident	56 Å²	56	34.2 Å²	34.2	21%	0.211	20%	0.204	C	C	.	.			trans	-112.6	147.1	173.5	-61.8	-172.3	-172.2	-144.6	14.6	110.5	E139 P148 S152 C172 C175	E139-R177 IonicContact OE1-CZ 3.56Å; E139-R177 IonicContact OE1-NH1 3.43Å; E139-R177 PolarHBondContact OE1-NH1 3.32Å; E139-R177 IonicContact OE1-NH2 2.77Å; E139-R177 IonicContact OE2-NH1 3.48Å; P148-R177 VanDerWaalsContact CB-NH1 3.32Å; S152-R177 WeakPolarHBondContact OG-CA 3.39Å; C172-R177 PolarHBondContact N-O 3.09Å; C175-R177 HydrophobicContact CB-CG 4.31Å; C175-R177 PolarHBondContact O-N 3.48Å
178	W	89.5	Confident	86.8	Confident	3 Å²	3	34.4 Å²	34.4	1%	0.011	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	150.1	173.7	-59.8	82.8	0	0	0	111	S152 L153 Y163 I169 I170 L171 F234 L244 F248	S152-W178 WeakPolarHBondContact O-CB 3.49Å; S152-W178 PolarHBondContact OG-N 3.13Å; L153-W178 HydrophobicContact CD2-CD2 4.43Å; L153-W178 HydrophobicContact CD2-CG 4.32Å; L153-W178 VanDerWaalsContact CD2-NE1 3.27Å; Y163-W178 HydrophobicContact CE2-CB 4.49Å; Y163-W178 WeakPolarHBondContact OH-CB 3.38Å; Y163-W178 PolarHBondContact OH-O 2.72Å; I169-W178 HydrophobicContact CB-CE3 4.09Å; I169-W178 HydrophobicContact CD1-CD2 4.18Å; I169-W178 HydrophobicContact CD1-CE3 3.6Å; I169-W178 HydrophobicContact CD1-CZ3 4.06Å; I169-W178 HydrophobicContact CG1-CE3 3.73Å; I169-W178 HydrophobicContact CG1-CZ3 4.02Å; I170-W178 WeakPolarHBondContact O-CA 3.21Å; L171-W178 HydrophobicContact CB-CD2 4.13Å; L171-W178 HydrophobicContact CB-CE3 4.1Å; L171-W178 HydrophobicContact CB-CH2 3.91Å; L171-W178 HydrophobicContact CB-CZ2 3.98Å; L171-W178 HydrophobicContact CB-CZ3 4Å; L171-W178 HydrophobicContact CD1-CD2 4.28Å; L171-W178 HydrophobicContact CD1-CG 4.33Å; L171-W178 HydrophobicContact CD1-CZ2 4.4Å; L171-W178 HydrophobicContact CD2-CZ2 4.15Å; L171-W178 HydrophobicContact CG-CZ2 4.41Å; W178-F234 AromaticContact CH2-CD2 3.56Å; W178-F234 HydrophobicContact CH2-CD2 3.56Å; W178-F234 HydrophobicContact CH2-CE2 4.15Å; W178-F234 HydrophobicContact CZ2-CD2 4.4Å; W178-F234 HydrophobicContact CZ3-CB 4.49Å; W178-F234 HydrophobicContact CZ3-CD2 4.01Å; W178-L244 HydrophobicContact CH2-CD2 4.31Å; W178-L244 HydrophobicContact CZ2-CD2 3.76Å; W178-F248 AromaticContact NE1-CZ 4Å
179	S	90.8	Very high	86.6	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.014	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	156.6	172.8	45.6	0	0	0	0	109.3	Y163 I169 I170 A181 N184	Y163-S179 VanDerWaalsContact OH-CA 3.23Å; Y163-S179 WeakPolarHBondContact OH-CA 3.24Å; Y163-S179 PolarHBondContact OH-N 3.02Å; Y163-S179 VanDerWaalsContact OH-N 3.12Å; I169-S179 WeakPolarHBondContact CA-O 3.4Å; I170-S179 PolarHBondContact N-O 2.86Å; I170-S179 PolarHBondContact O-N 3.1Å; I170-S179 VanDerWaalsContact O-N 3.13Å; S179-A181 PolarHBondContact O-N 3.18Å; S179-N184 WeakPolarHBondContact CB-ND2 3.47Å; S179-N184 PolarHBondContact OG-ND2 3.11Å
180	H	90.7	Very high	86.2	Confident	15 Å²	15	42.8 Å²	42.8	7%	0.069	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	136.8	166.7	-67.7	108	0	0	0	109.7	C156 C159 Y163 D167 L168 S182 C183 N184	C156-H180 WeakPolarHBondContact CB-ND1 3.01Å; C156-H180 PolarHBondContact SG-N 3.07Å; C156-H180 PolarHBondContact SG-ND1 3.43Å; C156-H180 VanDerWaalsContact SG-ND1 3.38Å; C159-H180 PolarHBondContact SG-ND1 2.94Å; C159-H180 VanDerWaalsContact SG-ND1 3.41Å; Y163-H180 AromaticContact CD1-CD2 3.77Å; Y163-H180 AromaticContact CD1-CE1 3.69Å; Y163-H180 AromaticContact CD1-NE2 3.38Å; Y163-H180 WeakPolarHBondContact CD1-NE2 2.82Å; Y163-H180 AromaticContact CE1-CD2 3.92Å; Y163-H180 AromaticContact CE1-CE1 3.84Å; Y163-H180 AromaticContact CE1-CG 3.99Å; Y163-H180 AromaticContact CE1-ND1 3.96Å; Y163-H180 AromaticContact CE1-NE2 3.84Å; D167-H180 IonicContact OD2-CD2 2.77Å; D167-H180 IonicContact OD2-CE1 3.99Å; D167-H180 IonicContact OD2-NE2 2.81Å; D167-H180 PolarHBondContact OD2-NE2 3.02Å; L168-H180 WeakPolarHBondContact O-CA 3.09Å; H180-S182 VanDerWaalsContact C-N 3.27Å; H180-S182 PolarHBondContact O-N 2.91Å; H180-C183 HydrophobicContact CB-CB 3.96Å; H180-C183 PolarHBondContact O-N 3.49Å; H180-N184 PolarHBondContact O-ND2 2.69Å
181	A	86.9	Confident	85.8	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.008	26%	0.263	C	S	.	.	S	Bend	trans	-53.7	-48.2	170.3	0	0	0	0	0	110.7	L168 S179 C183 N184 G185 L186 L192	L168-A181 HydrophobicContact CB-CB 3.89Å; L168-A181 WeakPolarHBondContact O-CB 3.49Å; L168-A181 PolarHBondContact O-N 3.28Å; S179-A181 PolarHBondContact O-N 3.18Å; A181-C183 VanDerWaalsContact C-N 3.33Å; A181-C183 PolarHBondContact O-N 2.89Å; A181-N184 CarbonylContact O-C 3.59Å; A181-N184 PolarHBondContact O-N 3.04Å; A181-G185 PolarHBondContact O-N 2.87Å; A181-L186 CarbonylContact C-O 3.54Å; A181-L186 VanDerWaalsContact C-O 3.24Å; A181-L186 HydrophobicContact CB-CB 4.03Å; A181-L186 WeakPolarHBondContact CB-O 3.44Å; A181-L186 WeakPolarHBondContact O-CB 3.46Å; A181-L186 PolarHBondContact O-N 3.47Å; A181-L192 HydrophobicContact CB-CD1 3.48Å; A181-L192 VanDerWaalsContact CB-CD1 3.48Å; A181-L192 HydrophobicContact CB-CD2 3.8Å; A181-L192 HydrophobicContact CB-CG 4.26Å
182	S	87.7	Confident	85.4	Confident	77 Å²	77	44.7 Å²	44.7	54%	0.538	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-59.9	-37.6	179.2	57	0	0	0	0	113.5	H180 N184 G185 L186	H180-S182 VanDerWaalsContact C-N 3.27Å; H180-S182 PolarHBondContact O-N 2.91Å; S182-N184 PolarHBondContact O-N 2.78Å; S182-N184 VanDerWaalsContact O-N 3.1Å; S182-G185 PolarHBondContact O-N 2.63Å; S182-L186 PolarHBondContact N-O 3Å
183	C	91.1	Very high	84.8	Confident	44 Å²	44	47.1 Å²	47.1	30%	0.297	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-64.3	-14	175.6	-74.6	0	0	0	0	113.5	F158 H180 A181	F158-C183 HydrophobicContact CB-CB 3.74Å; F158-C183 HydrophobicContact CD2-CB 4.2Å; F158-C183 HydrophobicContact CG-CB 4.12Å; H180-C183 HydrophobicContact CB-CB 3.96Å; H180-C183 PolarHBondContact O-N 3.49Å; A181-C183 VanDerWaalsContact C-N 3.33Å; A181-C183 PolarHBondContact O-N 2.89Å
184	N	87.6	Confident	84.5	Confident	17 Å²	17	50 Å²	50	9%	0.091	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-111.1	12.5	176.1	-65.6	-93.6	0	0	0	112.7	F158 S179 H180 A181 S182 F200 C202 V203	F158-N184 WeakPolarHBondContact CE2-OD1 3.41Å; F158-N184 WeakPolarHBondContact CZ-OD1 3.37Å; S179-N184 WeakPolarHBondContact CB-ND2 3.47Å; S179-N184 PolarHBondContact OG-ND2 3.11Å; H180-N184 PolarHBondContact O-ND2 2.69Å; A181-N184 CarbonylContact O-C 3.59Å; A181-N184 PolarHBondContact O-N 3.04Å; S182-N184 PolarHBondContact O-N 2.78Å; S182-N184 VanDerWaalsContact O-N 3.1Å; N184-F200 HydrophobicContact CB-CE2 4Å; N184-F200 HydrophobicContact CB-CZ 3.79Å; N184-C202 WeakPolarHBondContact OD1-CB 3.31Å; N184-V203 PolarHBondContact OD1-N 3.02Å
185	G	83.6	Confident	84.2	Confident	47 Å²	47	46.6 Å²	46.6	49%	0.485	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	13.4	-179.6	0	0	0	0	0	114.8	A181 S182 T187	A181-G185 PolarHBondContact O-N 2.87Å; S182-G185 PolarHBondContact O-N 2.63Å; G185-T187 PolarHBondContact O-N 3.2Å
186	L	83.2	Confident	83.7	Confident	7 Å²	7	45.3 Å²	45.3	4%	0.037	26%	0.258	C	S	.	.			trans	-93.7	95	175	-56	174.4	0	0	0	108.4	I170 A181 S182 M191 L192 A195 F200 F218	I170-L186 HydrophobicContact CD1-CD1 4.02Å; I170-L186 HydrophobicContact CG2-CD1 4.37Å; A181-L186 CarbonylContact C-O 3.54Å; A181-L186 VanDerWaalsContact C-O 3.24Å; A181-L186 HydrophobicContact CB-CB 4.03Å; A181-L186 WeakPolarHBondContact CB-O 3.44Å; A181-L186 WeakPolarHBondContact O-CB 3.46Å; A181-L186 PolarHBondContact O-N 3.47Å; S182-L186 PolarHBondContact N-O 3Å; L186-M191 HydrophobicContact CD2-CB 4.35Å; L186-L192 HydrophobicContact CB-CD1 4.1Å; L186-L192 HydrophobicContact CD1-CD1 3.61Å; L186-A195 HydrophobicContact CD1-CB 3.9Å; L186-A195 HydrophobicContact CD2-CB 4.1Å; L186-F200 HydrophobicContact CD1-CD2 4.03Å; L186-F200 HydrophobicContact CD1-CE2 3.88Å; L186-F218 HydrophobicContact CD2-CD2 4.41Å; L186-F218 HydrophobicContact CD2-CE2 3.62Å; L186-F218 HydrophobicContact CD2-CZ 4.43Å
187	T	79	Confident	83.1	Confident	114 Å²	114	48 Å²	48	70%	0.699	27%	0.274	S	S	*	.			trans	-99	-20.7	-174.2	51.9	0	0	0	0	113.9	G185	G185-T187 PolarHBondContact O-N 3.2Å
188	S	77.9	Confident	82.6	Confident	45 Å²	45	47.1 Å²	47.1	32%	0.315	28%	0.279	S	S	.	.	S	Bend	trans	-109.5	148.1	176.4	75.3	0	0	0	0	112.4	E190 M191 L192	S188-E190 PolarHBondContact O-N 2.77Å; S188-M191 PolarHBondContact O-N 2.91Å; S188-M191 WeakPolarHBondContact OG-CB 3.47Å; S188-M191 WeakPolarHBondContact OG-CG 3.29Å; S188-M191 PolarHBondContact OG-N 2.67Å; S188-M191 PolarHBondContact OG-SD 3.15Å; S188-L192 WeakPolarHBondContact O-CB 3.15Å; S188-L192 PolarHBondContact O-N 3.43Å
189	D	78.1	Confident	82.1	Confident	98 Å²	98	47.2 Å²	47.2	52%	0.524	28%	0.281	S	S	.	.	H	α-helix	trans	-59	-33.3	176.2	-78.3	-17.7	0	0	0	112	L168 L192 S193	L168-D189 WeakPolarHBondContact CD1-OD1 3.28Å; D189-L192 PolarHBondContact O-N 2.84Å; D189-S193 WeakPolarHBondContact O-CB 2.95Å; D189-S193 PolarHBondContact O-N 3.35Å
190	E	78.3	Confident	81.9	Confident	125 Å²	125	47.1 Å²	47.1	58%	0.584	28%	0.28	S	S	*	.	H	α-helix	trans	-69.5	-45.6	178.3	-165.4	-171.7	161.6	0	0	112.2	S188 L192 S193 K194	S188-E190 PolarHBondContact O-N 2.77Å; E190-L192 PolarHBondContact O-N 3.46Å; E190-S193 PolarHBondContact O-N 3.31Å; E190-K194 WeakPolarHBondContact O-CG 3.34Å; E190-K194 PolarHBondContact O-N 2.89Å; E190-K194 VanDerWaalsContact OE1-CE 3.31Å; E190-K194 WeakPolarHBondContact OE1-CE 3.1Å; E190-K194 IonicContact OE1-NZ 2.67Å; E190-K194 PolarHBondContact OE1-NZ 3.21Å
191	M	79.9	Confident	81.6	Confident	57 Å²	57	46.9 Å²	46.9	28%	0.281	28%	0.28	S	S	.	.	H	α-helix	trans	-58.8	-41.7	173.4	-77.2	170.3	78.4	0	0	110.8	L186 S188 A195 F218	L186-M191 HydrophobicContact CD2-CB 4.35Å; S188-M191 PolarHBondContact O-N 2.91Å; S188-M191 WeakPolarHBondContact OG-CB 3.47Å; S188-M191 WeakPolarHBondContact OG-CG 3.29Å; S188-M191 PolarHBondContact OG-N 2.67Å; S188-M191 PolarHBondContact OG-SD 3.15Å; M191-A195 VanDerWaalsContact O-CB 3.3Å; M191-A195 WeakPolarHBondContact O-CB 3.39Å; M191-A195 PolarHBondContact O-N 2.98Å; M191-F218 HydrophobicContact CB-CE2 3.69Å; M191-F218 HydrophobicContact CB-CZ 3.98Å; M191-F218 HydrophobicContact CE-CD2 3.47Å; M191-F218 VanDerWaalsContact CE-CD2 3.47Å; M191-F218 HydrophobicContact CE-CE2 3.52Å; M191-F218 HydrophobicContact CG-CD2 4.43Å; M191-F218 HydrophobicContact CG-CE2 3.76Å; M191-F218 HydrophobicContact CG-CZ 4.14Å
192	L	78.8	Confident	81.7	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-67.1	-44.7	-178.5	-174	60.8	0	0	0	112.4	L168 I170 A181 L186 S188 D189 E190 A195 A196 L233	L168-L192 HydrophobicContact CB-CD2 3.75Å; L168-L192 HydrophobicContact CD1-CD2 3.95Å; L168-L192 HydrophobicContact CD2-CD2 4Å; L168-L192 HydrophobicContact CG-CD2 4.11Å; I170-L192 HydrophobicContact CB-CD1 3.93Å; I170-L192 HydrophobicContact CD1-CD1 3.67Å; I170-L192 HydrophobicContact CG1-CD1 4.34Å; I170-L192 HydrophobicContact CG2-CD1 4.3Å; A181-L192 HydrophobicContact CB-CD1 3.48Å; A181-L192 VanDerWaalsContact CB-CD1 3.48Å; A181-L192 HydrophobicContact CB-CD2 3.8Å; A181-L192 HydrophobicContact CB-CG 4.26Å; L186-L192 HydrophobicContact CB-CD1 4.1Å; L186-L192 HydrophobicContact CD1-CD1 3.61Å; S188-L192 WeakPolarHBondContact O-CB 3.15Å; S188-L192 PolarHBondContact O-N 3.43Å; D189-L192 PolarHBondContact O-N 2.84Å; E190-L192 PolarHBondContact O-N 3.46Å; L192-A195 PolarHBondContact O-N 3.44Å; L192-A196 WeakPolarHBondContact O-CB 3.42Å; L192-A196 PolarHBondContact O-N 2.95Å; L192-L233 HydrophobicContact CD1-CD1 4.13Å; L192-L233 HydrophobicContact CD2-CD1 3.38Å; L192-L233 HydrophobicContact CG-CD1 3.46Å; L192-L233 VanDerWaalsContact CG-CD1 3.46Å
193	S	77	Confident	81.5	Confident	50 Å²	50	46.2 Å²	46.2	35%	0.35	27%	0.273	S	S	.	.	H	α-helix	trans	-61.2	-48.6	174.7	-164.6	0	0	0	0	111.2	D189 E190 A195 A196 D197	D189-S193 WeakPolarHBondContact O-CB 2.95Å; D189-S193 PolarHBondContact O-N 3.35Å; E190-S193 PolarHBondContact O-N 3.31Å; S193-A195 VanDerWaalsContact C-N 3.33Å; S193-A195 PolarHBondContact O-N 3.25Å; S193-A196 PolarHBondContact O-N 2.98Å; S193-A196 VanDerWaalsContact O-N 3.16Å; S193-D197 WeakPolarHBondContact O-CB 3.44Å; S193-D197 VanDerWaalsContact O-CG 3.3Å; S193-D197 PolarHBondContact O-N 3.5Å
194	K	79.2	Confident	81.1	Confident	111 Å²	111	49.1 Å²	49.1	48%	0.483	28%	0.284	S	S	.	.	H	α-helix	trans	-58.7	-43.6	177.3	-73	176.9	-174	169.4	0	112.1	E190 A198	E190-K194 WeakPolarHBondContact O-CG 3.34Å; E190-K194 PolarHBondContact O-N 2.89Å; E190-K194 VanDerWaalsContact OE1-CE 3.31Å; E190-K194 WeakPolarHBondContact OE1-CE 3.1Å; E190-K194 IonicContact OE1-NZ 2.67Å; E190-K194 PolarHBondContact OE1-NZ 3.21Å; K194-A198 WeakPolarHBondContact O-CB 3.39Å; K194-A198 PolarHBondContact O-N 3.39Å
195	A	80.9	Confident	81	Confident	0 Å²	0	50 Å²	50	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65	-39.6	177.3	0	0	0	0	0	112.2	I170 L186 M191 L192 S193 G199 F200	I170-A195 HydrophobicContact CD1-CB 4.26Å; L186-A195 HydrophobicContact CD1-CB 3.9Å; L186-A195 HydrophobicContact CD2-CB 4.1Å; M191-A195 VanDerWaalsContact O-CB 3.3Å; M191-A195 WeakPolarHBondContact O-CB 3.39Å; M191-A195 PolarHBondContact O-N 2.98Å; L192-A195 PolarHBondContact O-N 3.44Å; S193-A195 VanDerWaalsContact C-N 3.33Å; S193-A195 PolarHBondContact O-N 3.25Å; A195-G199 CarbonylContact O-C 3.54Å; A195-G199 PolarHBondContact O-N 3.12Å; A195-F200 HydrophobicContact CB-CB 4.44Å; A195-F200 HydrophobicContact CB-CD2 4.33Å; A195-F200 WeakPolarHBondContact O-CA 3.15Å; A195-F200 WeakPolarHBondContact O-CB 3.37Å; A195-F200 PolarHBondContact O-N 3.41Å
196	A	78.2	Confident	80.8	Confident	7 Å²	7	50.9 Å²	50.9	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-65.3	-47.8	176.8	0	0	0	0	0	111.6	I170 L192 S193 A198 G199 K232 L233	I170-A196 HydrophobicContact CD1-CB 4.14Å; L192-A196 WeakPolarHBondContact O-CB 3.42Å; L192-A196 PolarHBondContact O-N 2.95Å; S193-A196 PolarHBondContact O-N 2.98Å; S193-A196 VanDerWaalsContact O-N 3.16Å; A196-A198 VanDerWaalsContact C-N 3.33Å; A196-A198 PolarHBondContact O-N 3.4Å; A196-G199 PolarHBondContact O-N 3.39Å; A196-K232 HydrophobicContact CB-CB 4.25Å; A196-L233 HydrophobicContact CB-CB 4.4Å
197	D	76.4	Confident	79.9	Confident	131 Å²	131	57 Å²	57	70%	0.701	32%	0.321	S	S	*	.	H	α-helix	trans	-64.9	-37.3	-178.9	-68.8	-30.3	0	0	0	112.1	S193 G199	S193-D197 WeakPolarHBondContact O-CB 3.44Å; S193-D197 VanDerWaalsContact O-CG 3.3Å; S193-D197 PolarHBondContact O-N 3.5Å; D197-G199 VanDerWaalsContact C-N 3.33Å; D197-G199 PolarHBondContact O-N 3.48Å
198	A	79.8	Confident	78.9	Confident	37 Å²	37	54.2 Å²	54.2	31%	0.306	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	7.4	-178	0	0	0	0	0	113.6	K194 A196 V222 K223	K194-A198 WeakPolarHBondContact O-CB 3.39Å; K194-A198 PolarHBondContact O-N 3.39Å; A196-A198 VanDerWaalsContact C-N 3.33Å; A196-A198 PolarHBondContact O-N 3.4Å; A198-V222 HydrophobicContact CB-CB 4.1Å; A198-V222 HydrophobicContact CB-CG1 3.22Å; A198-V222 HydrophobicContact CB-CG2 3.8Å; A198-V222 WeakPolarHBondContact O-CG1 3.32Å; A198-K223 PolarHBondContact O-N 2.85Å; A198-K223 VanDerWaalsContact O-N 3.15Å
199	G	78.5	Confident	77.5	Confident	5 Å²	5	57 Å²	57	5%	0.052	33%	0.333	C	S	.	.			trans	80	83.6	175.8	0	0	0	0	0	113.5	D173 A195 A196 D197 K223	D173-G199 WeakPolarHBondContact OD2-CA 3.04Å; A195-G199 CarbonylContact O-C 3.54Å; A195-G199 PolarHBondContact O-N 3.12Å; A196-G199 PolarHBondContact O-N 3.39Å; D197-G199 VanDerWaalsContact C-N 3.33Å; D197-G199 PolarHBondContact O-N 3.48Å; G199-K223 PolarHBondContact O-N 3.42Å
200	F	86.3	Confident	75.8	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-67.1	131.3	-176.3	168.4	-105.5	0	0	0	113.7	I170 C172 D173 N184 L186 A195 C202	I170-F200 HydrophobicContact CB-CD1 4.34Å; I170-F200 HydrophobicContact CB-CE1 4.44Å; I170-F200 HydrophobicContact CD1-CB 3.6Å; I170-F200 HydrophobicContact CD1-CD1 3.87Å; I170-F200 HydrophobicContact CD1-CD2 4.06Å; I170-F200 HydrophobicContact CD1-CG 3.57Å; I170-F200 HydrophobicContact CG1-CB 4.09Å; I170-F200 HydrophobicContact CG1-CD1 3.63Å; I170-F200 HydrophobicContact CG1-CE1 4.21Å; I170-F200 HydrophobicContact CG1-CG 3.89Å; I170-F200 HydrophobicContact CG2-CD1 3.89Å; I170-F200 HydrophobicContact CG2-CE1 3.54Å; I170-F200 HydrophobicContact CG2-CE2 4.43Å; I170-F200 HydrophobicContact CG2-CG 4.47Å; I170-F200 HydrophobicContact CG2-CZ 3.83Å; C172-F200 WeakPolarHBondContact CA-O 3.48Å; C172-F200 HydrophobicContact CB-CD1 4.3Å; C172-F200 HydrophobicContact CB-CE1 4.2Å; D173-F200 PolarHBondContact N-O 3.43Å; N184-F200 HydrophobicContact CB-CE2 4Å; N184-F200 HydrophobicContact CB-CZ 3.79Å; L186-F200 HydrophobicContact CD1-CD2 4.03Å; L186-F200 HydrophobicContact CD1-CE2 3.88Å; A195-F200 HydrophobicContact CB-CB 4.44Å; A195-F200 HydrophobicContact CB-CD2 4.33Å; A195-F200 WeakPolarHBondContact O-CA 3.15Å; A195-F200 WeakPolarHBondContact O-CB 3.37Å; A195-F200 PolarHBondContact O-N 3.41Å; F200-C202 HydrophobicContact CE1-CB 3.88Å; F200-C202 HydrophobicContact CZ-CB 3.88Å
201	V	85.7	Confident	73.9	Confident	10 Å²	10	54.2 Å²	54.2	6%	0.061	35%	0.354	C	S	.	.			trans	-115.3	117.5	169.9	-174.3	0	0	0	0	110.2	V174 C205 R206 C221 K223	V174-V201 HydrophobicContact CG2-CG1 3.85Å; V174-V201 HydrophobicContact CG2-CG2 3.96Å; V201-C205 HydrophobicContact CG1-CB 3.56Å; V201-R206 HydrophobicContact CG1-CG 4.33Å; V201-R206 PolarHBondContact O-NE 3.24Å; V201-C221 PolarHBondContact N-O 2.96Å; V201-K223 HydrophobicContact CG2-CG 4.45Å
202	C	88.2	Confident	71.9	Confident	6 Å²	6	56.3 Å²	56.3	4%	0.041	38%	0.381	C	S	.	.			trans	-63.8	155.2	178.8	73.7	0	0	0	0	112	F158 C172 N184 F200 L204 C205 R206	F158-C202 HydrophobicContact CE2-CB 4.02Å; F158-C202 HydrophobicContact CZ-CB 4.1Å; C172-C202 HydrophobicContact CB-CB 3.95Å; C172-C202 PolarHBondContact SG-N 2.89Å; C172-C202 VanDerWaalsContact SG-N 3.36Å; N184-C202 WeakPolarHBondContact OD1-CB 3.31Å; F200-C202 HydrophobicContact CE1-CB 3.88Å; F200-C202 HydrophobicContact CZ-CB 3.88Å; C202-L204 PolarHBondContact O-N 3.31Å; C202-C205 PolarHBondContact O-N 2.93Å; C202-R206 PolarHBondContact O-N 3.3Å
203	V	83.8	Confident	69.9	Low	59 Å²	59	65 Å²	65	36%	0.358	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-60.1	-25.8	-172.9	66.2	0	0	0	0	113.6	F158 N184 C205	F158-V203 HydrophobicContact CD1-CG1 4.17Å; F158-V203 HydrophobicContact CE1-CG1 3.11Å; F158-V203 HydrophobicContact CE2-CG1 4.47Å; F158-V203 HydrophobicContact CZ-CB 4.42Å; F158-V203 HydrophobicContact CZ-CG1 3.3Å; N184-V203 PolarHBondContact OD1-N 3.02Å; V203-C205 VanDerWaalsContact C-N 3.32Å; V203-C205 PolarHBondContact O-N 3.14Å
204	L	83.1	Confident	68.1	Low	104 Å²	104	65.6 Å²	65.6	55%	0.545	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-72.5	-20.9	174.7	-61.9	175.4	0	0	0	114.1	R157 F158 C202	R157-L204 HydrophobicContact CG-CD1 4.16Å; F158-L204 HydrophobicContact CE1-CD1 3.92Å; F158-L204 HydrophobicContact CE1-CD2 4.1Å; F158-L204 HydrophobicContact CE1-CG 3.55Å; F158-L204 HydrophobicContact CZ-CB 4.44Å; F158-L204 HydrophobicContact CZ-CD1 4Å; F158-L204 HydrophobicContact CZ-CG 3.68Å; C202-L204 PolarHBondContact O-N 3.31Å
205	C	85.7	Confident	66.1	Low	37 Å²	37	68 Å²	68	25%	0.25	46%	0.457	C	S	.	.	G	3₁₀ helix	trans	-101.3	-0.8	-178.7	-71.4	0	0	0	0	113.3	V174 V201 C202 V203	V174-C205 HydrophobicContact CB-CB 3.9Å; V174-C205 HydrophobicContact CG1-CB 4.03Å; V174-C205 HydrophobicContact CG2-CB 4.37Å; V201-C205 HydrophobicContact CG1-CB 3.56Å; C202-C205 PolarHBondContact O-N 2.93Å; V203-C205 VanDerWaalsContact C-N 3.32Å; V203-C205 PolarHBondContact O-N 3.14Å
206	R	78.7	Confident	64.1	Low	65 Å²	65	75.3 Å²	75.3	25%	0.245	49%	0.491	C	S	.	.	S	Bend	trans	-71.2	134.2	179.8	-66.1	179.4	-169.4	169.9	2.8	110.2	V201 C202 G208	V201-R206 HydrophobicContact CG1-CG 4.33Å; V201-R206 PolarHBondContact O-NE 3.24Å; C202-R206 PolarHBondContact O-N 3.3Å; R206-G208 PolarHBondContact O-N 3.38Å
207	P	64.4	Low	62.4	Low	136 Å²	136	79.8 Å²	79.8	88%	0.883	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	123.7	170.2	-13.7	27	0	0	0	109.1
208	G	57.8	Low	61	Low	54 Å²	54	77.2 Å²	77.2	56%	0.557	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.6	11	174.1	0	0	0	0	0	117.1	R206 G210 A211	R206-G208 PolarHBondContact O-N 3.38Å; G208-G210 PolarHBondContact O-N 3.04Å; G208-A211 PolarHBondContact O-N 2.83Å
209	S	48.5	Very low	59.4	Low	103 Å²	103	80 Å²	80	72%	0.72	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	11.4	176.1	44.1	0	0	0	0	116.3
210	G	42.2	Very low	58	Low	85 Å²	85	83.7 Å²	83.7	88%	0.876	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-5.4	165.7	0	0	0	0	0	114.9	G208	G208-G210 PolarHBondContact O-N 3.04Å
211	A	38.6	Very low	56.2	Low	80 Å²	80	83.9 Å²	83.9	66%	0.661	55%	0.545	S	S	*	.	S	Bend	trans	-111	143.2	-177	0	0	0	0	0	111.5	G208	G208-A211 PolarHBondContact O-N 2.83Å
212	A	38	Very low	54.5	Low	102 Å²	102	86 Å²	86	84%	0.843	56%	0.557	S	S	*	*			trans	-51.4	148.8	-166.5	0	0	0	0	0	115.7	G214	A212-G214 PolarHBondContact O-N 3.09Å
213	I	36.9	Very low	52.8	Low	184 Å²	184	92.1 Å²	92.1	94%	0.944	58%	0.583	S	S	*	*			trans	-64.1	92.7	176.7	-60.1	163.6	0	0	0	108.6
214	G	39.4	Very low	50.8	Low	62 Å²	62	96 Å²	96	64%	0.639	61%	0.608	S	S	*	*			trans	-109	135.3	165.5	0	0	0	0	0	109.1	A212 E216	A212-G214 PolarHBondContact O-N 3.09Å; G214-E216 VanDerWaalsContact C-N 3.26Å; G214-E216 PolarHBondContact O-N 3.01Å
215	D	37.2	Very low	48.7	Very low	160 Å²	160	102.2 Å²	102.2	86%	0.856	62%	0.624	S	S	*	*			trans	-75.6	47.6	-158.7	-150	6	0	0	0	115.3	S217	D215-S217 PolarHBondContact O-N 3.18Å; D215-S217 VanDerWaalsContact O-N 3.13Å
216	E	39.4	Very low	46.4	Very low	155 Å²	155	107 Å²	107	72%	0.724	65%	0.652	S	S	*	*			trans	-86.8	85.9	173.1	-68.5	-147.3	154.5	0	0	111.2	G214	G214-E216 VanDerWaalsContact C-N 3.26Å; G214-E216 PolarHBondContact O-N 3.01Å
217	S	42.3	Very low	44.4	Very low	100 Å²	100	111.1 Å²	111.1	70%	0.699	67%	0.674	S	S	*	*			trans	-58.3	133.1	174.8	52.8	0	0	0	0	112.8	D215 S219	D215-S217 PolarHBondContact O-N 3.18Å; D215-S217 VanDerWaalsContact O-N 3.13Å; S217-S219 VanDerWaalsContact C-N 3.32Å; S217-S219 PolarHBondContact O-N 2.97Å
218	F	46.4	Very low	43	Very low	78 Å²	78	114.7 Å²	114.7	34%	0.342	68%	0.676	S	S	.	*	S	Bend	trans	67.7	-40.3	167.3	-147	-102.8	0	0	0	119.8	L186 M191 T220 C221	L186-F218 HydrophobicContact CD2-CD2 4.41Å; L186-F218 HydrophobicContact CD2-CE2 3.62Å; L186-F218 HydrophobicContact CD2-CZ 4.43Å; M191-F218 HydrophobicContact CB-CE2 3.69Å; M191-F218 HydrophobicContact CB-CZ 3.98Å; M191-F218 HydrophobicContact CE-CD2 3.47Å; M191-F218 VanDerWaalsContact CE-CD2 3.47Å; M191-F218 HydrophobicContact CE-CE2 3.52Å; M191-F218 HydrophobicContact CG-CD2 4.43Å; M191-F218 HydrophobicContact CG-CE2 3.76Å; M191-F218 HydrophobicContact CG-CZ 4.14Å; F218-T220 PolarHBondContact O-N 2.78Å; F218-T220 VanDerWaalsContact O-N 3.11Å; F218-C221 PolarHBondContact O-N 2.9Å; F218-C221 PolarHBondContact O-SG 2.67Å
219	S	46.9	Very low	42.3	Very low	96 Å²	96	121 Å²	121	67%	0.671	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-61	-27.9	-170.9	-178.1	0	0	0	0	114.2	S217 C221	S217-S219 VanDerWaalsContact C-N 3.32Å; S217-S219 PolarHBondContact O-N 2.97Å; S219-C221 PolarHBondContact O-N 3.31Å
220	T	48.7	Very low	42.1	Very low	81 Å²	81	121 Å²	121	50%	0.497	67%	0.674	S	S	.	*	G	3₁₀ helix	trans	-91.1	4.2	-171	70.4	0	0	0	0	115.3	F218	F218-T220 PolarHBondContact O-N 2.78Å; F218-T220 VanDerWaalsContact O-N 3.11Å
221	C	47.4	Very low	42.4	Very low	4 Å²	4	122.8 Å²	122.8	3%	0.027	66%	0.662	C	S	.	*	G	3₁₀ helix	trans	-97.8	0.2	-175.2	69	0	0	0	0	115.2	V201 F218 S219	V201-C221 PolarHBondContact N-O 2.96Å; F218-C221 PolarHBondContact O-N 2.9Å; F218-C221 PolarHBondContact O-SG 2.67Å; S219-C221 PolarHBondContact O-N 3.31Å
222	V	51.7	Low	43.4	Very low	54 Å²	54	120.7 Å²	120.7	33%	0.327	64%	0.638	S	S	.	*	B	Isolated β-bridge	trans	-121.1	138.8	-168.1	161.6	0	0	0	0	111	A198	A198-V222 HydrophobicContact CB-CB 4.1Å; A198-V222 HydrophobicContact CB-CG1 3.22Å; A198-V222 HydrophobicContact CB-CG2 3.8Å; A198-V222 WeakPolarHBondContact O-CG1 3.32Å
223	K	51.5	Low	44.2	Very low	135 Å²	135	118.6 Å²	118.6	59%	0.587	61%	0.613	S	S	*	*			trans	-100.1	133	168.4	-85.3	-170	176.2	-176.7	0	111	A198 G199 V201 R225	A198-K223 PolarHBondContact O-N 2.85Å; A198-K223 VanDerWaalsContact O-N 3.15Å; G199-K223 PolarHBondContact O-N 3.42Å; V201-K223 HydrophobicContact CG2-CG 4.45Å; K223-R225 PolarHBondContact O-N 3.42Å
224	T	41.3	Very low	45.4	Very low	142 Å²	142	112.5 Å²	112.5	87%	0.871	58%	0.58	S	S	*	*			trans	-74.9	86.6	167.3	45.4	0	0	0	0	110.5
225	R	40.5	Very low	46.3	Very low	233 Å²	233	115.9 Å²	115.9	88%	0.879	57%	0.573	S	S	*	*			trans	-159.2	130.2	152.6	-134.8	172.2	173.2	165.9	-3.2	114.1	K223 E227	K223-R225 PolarHBondContact O-N 3.42Å; R225-E227 PolarHBondContact O-N 2.71Å
226	T	35.8	Very low	46.8	Very low	137 Å²	137	109.4 Å²	109.4	84%	0.84	54%	0.537	S	S	*	.			trans	-84.5	95.8	-177.8	46.6	0	0	0	0	111.7
227	E	37.5	Very low	47.3	Very low	152 Å²	152	103.7 Å²	103.7	71%	0.71	51%	0.514	S	S	*	.			trans	-137.6	122.1	153.7	-78.6	-169.5	-169.9	0	0	109.7	R225 R229	R225-E227 PolarHBondContact O-N 2.71Å; E227-R229 PolarHBondContact O-N 3.22Å
228	K	35.7	Very low	47.6	Very low	211 Å²	211	102.3 Å²	102.3	92%	0.917	50%	0.503	S	S	*	.			trans	-56.9	100.3	176.7	-67.7	173.2	171.3	174	0	109.9
229	R	42.1	Very low	47.4	Very low	187 Å²	187	106.5 Å²	106.5	71%	0.706	52%	0.522	S	S	*	.			trans	-167.5	132	174.4	-106.1	147.9	-168.7	-167.6	4.3	113.6	E227	E227-R229 PolarHBondContact O-N 3.22Å
230	L	43.8	Very low	47.3	Very low	102 Å²	102	103.1 Å²	103.1	53%	0.534	50%	0.496	S	S	.	.			trans	73.1	129.3	167.4	-72.2	123.7	0	0	0	118.2	K232 Y247	L230-K232 PolarHBondContact O-N 3.37Å; L230-Y247 HydrophobicContact CD2-CE1 3.31Å; L230-Y247 WeakPolarHBondContact CD2-OH 3.37Å; L230-Y247 WeakPolarHBondContact CG-OH 3.48Å
231	I	48.8	Very low	47.2	Very low	124 Å²	124	101 Å²	101	64%	0.636	48%	0.483	S	S	*	.			trans	-70.7	112.8	170.3	-60.3	169.3	0	0	0	108.4	F234	I231-F234 HydrophobicContact CG2-CE2 4.33Å; I231-F234 HydrophobicContact CG2-CZ 4.31Å
232	K	59.8	Low	46.8	Very low	36 Å²	36	108.9 Å²	108.9	16%	0.157	52%	0.517	C	S	.	.			trans	-102.7	-0.3	-174.1	-65.8	176.8	-170.2	176.5	0	114.6	L171 D173 A196 L230	L171-K232 PolarHBondContact N-O 2.61Å; D173-K232 WeakPolarHBondContact OD1-CD 3.36Å; D173-K232 WeakPolarHBondContact OD1-CE 3.35Å; D173-K232 IonicContact OD1-NZ 2.72Å; D173-K232 PolarHBondContact OD1-NZ 2.87Å; D173-K232 IonicContact OD2-NZ 3.67Å; D173-K232 PolarHBondContact OD2-NZ 2.91Å; A196-K232 HydrophobicContact CB-CB 4.25Å; L230-K232 PolarHBondContact O-N 3.37Å
233	L	55.1	Low	46.2	Very low	58 Å²	58	114.1 Å²	114.1	30%	0.304	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.3	-174.4	-179	62.3	0	0	0	111.2	L192 A196	L192-L233 HydrophobicContact CD1-CD1 4.13Å; L192-L233 HydrophobicContact CD2-CD1 3.38Å; L192-L233 HydrophobicContact CG-CD1 3.46Å; L192-L233 VanDerWaalsContact CG-CD1 3.46Å; A196-L233 HydrophobicContact CB-CB 4.4Å
234	F	61.8	Low	45.8	Very low	56 Å²	56	108.2 Å²	108.2	25%	0.246	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	144.4	166.2	-81	-73.3	0	0	0	112	I169 W178 I231 L240 L244	I169-F234 HydrophobicContact CD1-CB 4.2Å; I169-F234 HydrophobicContact CG1-CB 3.93Å; I169-F234 VanDerWaalsContact CG1-O 3.3Å; I169-F234 WeakPolarHBondContact CG1-O 3.49Å; I169-F234 PolarHBondContact N-O 2.94Å; I169-F234 PolarHBondContact O-N 2.94Å; W178-F234 AromaticContact CH2-CD2 3.56Å; W178-F234 HydrophobicContact CH2-CD2 3.56Å; W178-F234 HydrophobicContact CH2-CE2 4.15Å; W178-F234 HydrophobicContact CZ2-CD2 4.4Å; W178-F234 HydrophobicContact CZ3-CB 4.49Å; W178-F234 HydrophobicContact CZ3-CD2 4.01Å; I231-F234 HydrophobicContact CG2-CE2 4.33Å; I231-F234 HydrophobicContact CG2-CZ 4.31Å; F234-L240 HydrophobicContact CB-CD2 4.43Å; F234-L240 HydrophobicContact CD1-CD1 4.41Å; F234-L240 HydrophobicContact CD1-CD2 3.07Å; F234-L240 HydrophobicContact CD1-CG 4.35Å; F234-L240 HydrophobicContact CD2-CD2 4.38Å; F234-L240 HydrophobicContact CE1-CD2 3.19Å; F234-L240 HydrophobicContact CE2-CD2 4.5Å; F234-L240 HydrophobicContact CG-CD2 3.72Å; F234-L240 HydrophobicContact CZ-CD2 3.94Å; F234-L244 HydrophobicContact CD2-CD1 4.05Å; F234-L244 HydrophobicContact CD2-CD2 4.01Å; F234-L244 HydrophobicContact CD2-CG 4.38Å; F234-L244 HydrophobicContact CE2-CD1 4.27Å; F234-L244 HydrophobicContact CE2-CD2 3.58Å; F234-L244 HydrophobicContact CE2-CG 4.09Å; F234-L244 HydrophobicContact CG-CD1 4.45Å; F234-L244 HydrophobicContact CZ-CD2 4.33Å; F234-L244 HydrophobicContact CZ-CG 4.5Å
235	R	57.7	Low	45.9	Very low	133 Å²	133	102.7 Å²	102.7	50%	0.502	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	115.6	155.2	-169.4	167.7	179.6	126.9	-1.2	106.5	D166 C237 L240	D166-R235 HydrophobicContact CB-CG 4.41Å; D166-R235 VanDerWaalsContact CG-NE 3.34Å; D166-R235 VanDerWaalsContact CG-NH2 3.31Å; D166-R235 IonicContact OD1-CZ 2.69Å; D166-R235 IonicContact OD1-NE 2.91Å; D166-R235 PolarHBondContact OD1-NE 3.42Å; D166-R235 IonicContact OD1-NH2 3.88Å; D166-R235 PolarHBondContact OD1-NH2 2.86Å; D166-R235 IonicContact OD2-NH2 3.75Å; D166-R235 PolarHBondContact OD2-NH2 3.01Å; R235-C237 PolarHBondContact O-N 3.38Å; R235-L240 WeakPolarHBondContact O-CD1 3.47Å
236	F	48.7	Very low	45.8	Very low	23 Å²	23	95.6 Å²	95.6	10%	0.101	46%	0.458	C	S	.	.			trans	-64.1	126.3	-175.2	-174.9	-90.7	0	0	0	109.7	Y163 K164 E165 D166 D167 I169 T241	Y163-F236 AromaticContact CD2-CD2 3.99Å; Y163-F236 HydrophobicContact CD2-CD2 3.99Å; Y163-F236 AromaticContact CD2-CE2 3.95Å; Y163-F236 HydrophobicContact CD2-CE2 3.95Å; Y163-F236 HydrophobicContact CG-CD2 4.02Å; Y163-F236 HydrophobicContact CG-CE2 4.25Å; Y163-F236 HydrophobicContact CG-CG 4.34Å; Y163-F236 WeakPolarHBondContact O-CE1 3.35Å; K164-F236 VanDerWaalsContact O-CD1 3.23Å; K164-F236 WeakPolarHBondContact O-CD1 3.06Å; E165-F236 CarbonylContact C-O 3.58Å; E165-F236 WeakPolarHBondContact CA-O 3.31Å; D166-F236 PolarHBondContact N-O 2.69Å; D167-F236 HydrophobicContact CB-CB 4.24Å; D167-F236 WeakPolarHBondContact O-CB 3.35Å; D167-F236 PolarHBondContact O-N 2.74Å; I169-F236 HydrophobicContact CD1-CB 4.45Å; I169-F236 HydrophobicContact CD1-CD2 4.14Å; I169-F236 HydrophobicContact CG2-CB 4.47Å; F236-T241 HydrophobicContact CE2-CG2 4.35Å; F236-T241 HydrophobicContact CZ-CG2 4.34Å
237	C	49.5	Very low	46	Very low	35 Å²	35	94.5 Å²	94.5	24%	0.236	44%	0.439	C	S	.	.			trans	-134.1	144.9	168.9	162.5	0	0	0	0	107.1	E165 R235 F239 L240	E165-C237 PolarHBondContact OE1-SG 2.98Å; R235-C237 PolarHBondContact O-N 3.38Å; C237-F239 PolarHBondContact O-N 3.29Å; C237-L240 HydrophobicContact CB-CD1 3.75Å; C237-L240 VanDerWaalsContact O-CB 3.29Å; C237-L240 WeakPolarHBondContact O-CB 3.38Å; C237-L240 PolarHBondContact O-N 2.85Å
238	C	48.4	Very low	46	Very low	71 Å²	71	90 Å²	90	48%	0.48	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-28.4	-172.3	56.9	0	0	0	0	114	T241	C238-T241 PolarHBondContact O-OG1 2.84Å; C238-T241 VanDerWaalsContact O-OG1 3.13Å
239	F	41.9	Very low	46.2	Very low	167 Å²	167	86.7 Å²	86.7	73%	0.732	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-19.2	176.4	-67.2	-81	0	0	0	114.9	C237 T241 K242	C237-F239 PolarHBondContact O-N 3.29Å; F239-T241 VanDerWaalsContact C-N 3.32Å; F239-T241 PolarHBondContact O-N 3.2Å; F239-K242 PolarHBondContact O-N 3.14Å
240	L	45.6	Very low	45.6	Very low	24 Å²	24	80.5 Å²	80.5	13%	0.126	39%	0.393	C	S	.	.	H	α-helix	trans	-68.1	-28	-177.6	-89.1	131.4	0	0	0	113.6	F234 R235 C237 K242 K243 L244	F234-L240 HydrophobicContact CB-CD2 4.43Å; F234-L240 HydrophobicContact CD1-CD1 4.41Å; F234-L240 HydrophobicContact CD1-CD2 3.07Å; F234-L240 HydrophobicContact CD1-CG 4.35Å; F234-L240 HydrophobicContact CD2-CD2 4.38Å; F234-L240 HydrophobicContact CE1-CD2 3.19Å; F234-L240 HydrophobicContact CE2-CD2 4.5Å; F234-L240 HydrophobicContact CG-CD2 3.72Å; F234-L240 HydrophobicContact CZ-CD2 3.94Å; R235-L240 WeakPolarHBondContact O-CD1 3.47Å; C237-L240 HydrophobicContact CB-CD1 3.75Å; C237-L240 VanDerWaalsContact O-CB 3.29Å; C237-L240 WeakPolarHBondContact O-CB 3.38Å; C237-L240 PolarHBondContact O-N 2.85Å; L240-K242 PolarHBondContact O-N 3.4Å; L240-K243 PolarHBondContact O-N 2.95Å; L240-K243 VanDerWaalsContact O-N 3.07Å; L240-L244 HydrophobicContact CB-CD1 4.15Å; L240-L244 HydrophobicContact CD2-CD1 3.98Å; L240-L244 HydrophobicContact CD2-CG 4.41Å; L240-L244 WeakPolarHBondContact O-CB 3.38Å; L240-L244 PolarHBondContact O-N 3.02Å
241	T	46.9	Very low	44.7	Very low	37 Å²	37	80.8 Å²	80.8	23%	0.227	40%	0.399	C	S	.	.	H	α-helix	trans	-53.8	-39.7	177.1	52.9	0	0	0	0	110.9	F154 F236 C238 F239 L245	F154-T241 HydrophobicContact CD1-CG2 4.32Å; F154-T241 HydrophobicContact CE1-CG2 3.93Å; F154-T241 HydrophobicContact CZ-CG2 4.46Å; F236-T241 HydrophobicContact CE2-CG2 4.35Å; F236-T241 HydrophobicContact CZ-CG2 4.34Å; C238-T241 PolarHBondContact O-OG1 2.84Å; C238-T241 VanDerWaalsContact O-OG1 3.13Å; F239-T241 VanDerWaalsContact C-N 3.32Å; F239-T241 PolarHBondContact O-N 3.2Å; T241-L245 WeakPolarHBondContact O-CB 3.36Å; T241-L245 WeakPolarHBondContact O-CD1 3.39Å; T241-L245 WeakPolarHBondContact O-CG 3.41Å; T241-L245 PolarHBondContact O-N 2.71Å
242	K	39.3	Very low	43.5	Very low	169 Å²	169	80 Å²	80	74%	0.735	40%	0.402	S	S	*	.	H	α-helix	trans	-69	-44.5	174.8	-77.2	-174.2	177.7	175.6	0	113.9	F239 L240 T246	F239-K242 PolarHBondContact O-N 3.14Å; L240-K242 PolarHBondContact O-N 3.4Å; K242-T246 PolarHBondContact O-N 2.89Å; K242-T246 VanDerWaalsContact O-N 3.08Å; K242-T246 PolarHBondContact O-OG1 2.67Å
243	K	38.2	Very low	41.7	Very low	164 Å²	164	86.3 Å²	86.3	71%	0.713	44%	0.437	S	S	*	.	H	α-helix	trans	-69	-41.5	-179.2	-88.2	-174	175.5	-179.8	0	112.2	L240 T246 Y247	L240-K243 PolarHBondContact O-N 2.95Å; L240-K243 VanDerWaalsContact O-N 3.07Å; K243-T246 WeakPolarHBondContact CA-OG1 3.46Å; K243-T246 PolarHBondContact O-N 3.45Å; K243-T246 PolarHBondContact O-OG1 2.63Å; K243-Y247 PolarHBondContact O-N 3.27Å; K243-Y247 VanDerWaalsContact O-N 3.11Å
244	L	43.8	Very low	40.1	Very low	11 Å²	11	90.3 Å²	90.3	6%	0.058	46%	0.458	C	S	.	.	H	α-helix	trans	-69.4	-39.4	175.5	-84	159	0	0	0	111.8	L153 W178 F234 L240 T246 Y247 F248	L153-L244 HydrophobicContact CD2-CB 3.89Å; L153-L244 HydrophobicContact CD2-CD1 3.8Å; L153-L244 HydrophobicContact CD2-CD2 4.18Å; L153-L244 HydrophobicContact CD2-CG 4.18Å; W178-L244 HydrophobicContact CH2-CD2 4.31Å; W178-L244 HydrophobicContact CZ2-CD2 3.76Å; F234-L244 HydrophobicContact CD2-CD1 4.05Å; F234-L244 HydrophobicContact CD2-CD2 4.01Å; F234-L244 HydrophobicContact CD2-CG 4.38Å; F234-L244 HydrophobicContact CE2-CD1 4.27Å; F234-L244 HydrophobicContact CE2-CD2 3.58Å; F234-L244 HydrophobicContact CE2-CG 4.09Å; F234-L244 HydrophobicContact CG-CD1 4.45Å; F234-L244 HydrophobicContact CZ-CD2 4.33Å; F234-L244 HydrophobicContact CZ-CG 4.5Å; L240-L244 HydrophobicContact CB-CD1 4.15Å; L240-L244 HydrophobicContact CD2-CD1 3.98Å; L240-L244 HydrophobicContact CD2-CG 4.41Å; L240-L244 WeakPolarHBondContact O-CB 3.38Å; L240-L244 PolarHBondContact O-N 3.02Å; L244-T246 VanDerWaalsContact C-N 3.32Å; L244-T246 PolarHBondContact O-N 3.03Å; L244-Y247 WeakPolarHBondContact O-CA 3.49Å; L244-Y247 VanDerWaalsContact O-CB 3.24Å; L244-Y247 WeakPolarHBondContact O-CB 3.43Å; L244-Y247 PolarHBondContact O-N 2.75Å; L244-Y247 VanDerWaalsContact O-N 3.1Å; L244-F248 HydrophobicContact CD2-CE2 4.47Å; L244-F248 VanDerWaalsContact O-CD2 3.27Å; L244-F248 WeakPolarHBondContact O-CD2 3.33Å; L244-F248 PolarHBondContact O-N 2.95Å; L244-F248 VanDerWaalsContact O-N 3.1Å
245	L	43	Very low	38.2	Very low	26 Å²	26	92.8 Å²	92.8	14%	0.136	48%	0.482	C	S	.	.	H	α-helix	trans	-66.3	-33.7	176.4	-75.9	171.7	0	0	0	113.1	F128 L153 F154 T241 Y247 R249	F128-L245 HydrophobicContact CB-CD2 3.5Å; F128-L245 HydrophobicContact CD1-CD1 3.58Å; F128-L245 HydrophobicContact CD1-CD2 3.12Å; F128-L245 HydrophobicContact CD1-CG 3.97Å; F128-L245 HydrophobicContact CD2-CD2 4.4Å; F128-L245 HydrophobicContact CE1-CD1 3.59Å; F128-L245 HydrophobicContact CE1-CD2 3.88Å; F128-L245 HydrophobicContact CE1-CG 4.4Å; F128-L245 HydrophobicContact CG-CD2 3.41Å; F128-L245 VanDerWaalsContact CG-CD2 3.41Å; L153-L245 HydrophobicContact CD1-CD2 4.4Å; F154-L245 HydrophobicContact CZ-CD1 4.23Å; T241-L245 WeakPolarHBondContact O-CB 3.36Å; T241-L245 WeakPolarHBondContact O-CD1 3.39Å; T241-L245 WeakPolarHBondContact O-CG 3.41Å; T241-L245 PolarHBondContact O-N 2.71Å; L245-Y247 VanDerWaalsContact C-N 3.32Å; L245-R249 WeakPolarHBondContact O-CG 3.3Å
246	T	39.4	Very low	36.5	Very low	84 Å²	84	95.1 Å²	95.1	52%	0.515	50%	0.498	S	S	.	.	H	α-helix	trans	-68.2	-34.2	170.9	33	0	0	0	0	111.7	K242 K243 L244 R249	K242-T246 PolarHBondContact O-N 2.89Å; K242-T246 VanDerWaalsContact O-N 3.08Å; K242-T246 PolarHBondContact O-OG1 2.67Å; K243-T246 WeakPolarHBondContact CA-OG1 3.46Å; K243-T246 PolarHBondContact O-N 3.45Å; K243-T246 PolarHBondContact O-OG1 2.63Å; L244-T246 VanDerWaalsContact C-N 3.32Å; L244-T246 PolarHBondContact O-N 3.03Å; T246-R249 PolarHBondContact O-N 3.14Å
247	Y	39.9	Very low	35.2	Very low	114 Å²	114	101.2 Å²	101.2	45%	0.447	53%	0.531	S	S	.	.	H	α-helix	trans	-63.3	-43.2	176.5	-164.5	-94.5	0	0	0	113.2	L230 K243 L244 L245 R249 G250	L230-Y247 HydrophobicContact CD2-CE1 3.31Å; L230-Y247 WeakPolarHBondContact CD2-OH 3.37Å; L230-Y247 WeakPolarHBondContact CG-OH 3.48Å; K243-Y247 PolarHBondContact O-N 3.27Å; K243-Y247 VanDerWaalsContact O-N 3.11Å; L244-Y247 WeakPolarHBondContact O-CA 3.49Å; L244-Y247 VanDerWaalsContact O-CB 3.24Å; L244-Y247 WeakPolarHBondContact O-CB 3.43Å; L244-Y247 PolarHBondContact O-N 2.75Å; L244-Y247 VanDerWaalsContact O-N 3.1Å; L245-Y247 VanDerWaalsContact C-N 3.32Å; Y247-R249 PolarHBondContact O-N 2.81Å; Y247-G250 PolarHBondContact O-N 3.33Å
248	F	37.6	Very low	33.9	Very low	57 Å²	57	106.4 Å²	106.4	25%	0.25	56%	0.557	C	S	.	*	T	Hydrogen-bonded Turn	trans	-71.6	-8.4	176.7	-75.7	-74.7	0	0	0	114.8	L153 W178 L244	L153-F248 HydrophobicContact CD1-CD2 3.85Å; L153-F248 HydrophobicContact CD1-CE2 3.72Å; L153-F248 HydrophobicContact CD2-CE2 4.13Å; L153-F248 HydrophobicContact CG-CE2 4.3Å; W178-F248 AromaticContact NE1-CZ 4Å; L244-F248 HydrophobicContact CD2-CE2 4.47Å; L244-F248 VanDerWaalsContact O-CD2 3.27Å; L244-F248 WeakPolarHBondContact O-CD2 3.33Å; L244-F248 PolarHBondContact O-N 2.95Å; L244-F248 VanDerWaalsContact O-N 3.1Å
249	R	38.8	Very low	32.6	Very low	142 Å²	142	110.3 Å²	110.3	54%	0.536	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.6	-12.4	176.2	-74.4	176	175.1	172.1	-1.5	113.6	L245 T246 Y247	L245-R249 WeakPolarHBondContact O-CG 3.3Å; T246-R249 PolarHBondContact O-N 3.14Å; Y247-R249 PolarHBondContact O-N 2.81Å
250	G	30.1	Very low	31.7	Very low	57 Å²	57	106.9 Å²	106.9	59%	0.588	58%	0.575	S	S	*	*	S	Bend	trans	-102.1	0.4	-165.9	0	0	0	0	0	117.4	Y247 P252	Y247-G250 PolarHBondContact O-N 3.33Å; G250-P252 VanDerWaalsContact O-CD 3.28Å; G250-P252 WeakPolarHBondContact O-CD 3.45Å
251	V	24.6	Very low	30.6	Very low	108 Å²	108	115.3 Å²	115.3	66%	0.655	61%	0.614	S	S	*	*			trans	-115.1	94.8	-177.4	-171.2	0	0	0	0	110.5
252	P	23.1	Very low	29.4	Very low	107 Å²	107	119.2 Å²	119.2	70%	0.695	64%	0.643	S	S	*	*			trans	-61.6	135	159.8	-12.7	27.3	0	0	0	108.8	G250 L254	G250-P252 VanDerWaalsContact O-CD 3.28Å; G250-P252 WeakPolarHBondContact O-CD 3.45Å; P252-L254 PolarHBondContact O-N 3.5Å
253	L	22.6	Very low	28.6	Very low	170 Å²	170	116.1 Å²	116.1	89%	0.89	65%	0.649	S	S	*	*			trans	-54.9	104.5	169.2	-85.9	143.5	0	0	0	109.1	S255	L253-S255 PolarHBondContact O-N 3.14Å
254	L	21.5	Very low	27.9	Very low	142 Å²	142	114.7 Å²	114.7	74%	0.743	65%	0.654	S	S	*	*			trans	-55.6	106.9	169.8	-87.8	131.2	0	0	0	109	P252 L257	P252-L254 PolarHBondContact O-N 3.5Å; L254-L257 HydrophobicContact CD2-CD1 4.06Å
255	S	20.8	Very low	26.7	Very low	108 Å²	108	119.1 Å²	119.1	76%	0.755	69%	0.685	S	S	*	*			trans	-143.5	36.3	166.4	52.4	0	0	0	0	110.6	L253	L253-S255 PolarHBondContact O-N 3.14Å
256	E	21.9	Very low	25.6	Very low	182 Å²	182	127 Å²	127	85%	0.85	72%	0.721	S	S	*	*			trans	-151.5	62	172	-70	-167.6	167	0	0	110
257	L	22	Very low	24.7	Very low	151 Å²	151	128 Å²	128	79%	0.791	74%	0.738	S	S	*	*			trans	-146.5	64.2	160	-77.8	177.3	0	0	0	107.3	L254	L254-L257 HydrophobicContact CD2-CD1 4.06Å
258	N	21.5	Very low	23.8	Very low	144 Å²	144	127.4 Å²	127.4	77%	0.77	76%	0.756	S	S	*	*			trans	-87.7	141.9	152.4	-86.5	8.1	0	0	0	106.7
259	D	22.4	Very low	23	Very low	153 Å²	153	131.3 Å²	131.3	82%	0.818	79%	0.785	S	S	*	*	S	Bend	trans	76.1	90.6	163.7	-43.3	-32.2	0	0	0	115.9
260	A	22.8	Very low	22.1	Very low	95 Å²	95	129.4 Å²	129.4	79%	0.785	79%	0.791	S	S	*	*			trans	167.8	64	131.6	0	0	0	0	0	112.4
261	E	22.3	Very low	21.8	Very low	200 Å²	200	133.3 Å²	133.3	94%	0.935	80%	0.798	S	S	*	*			trans	-141.6	79.6	153.5	-74.2	-166.1	165.9	0	0	109
262	S	21.9	Very low	21.6	Very low	119 Å²	119	134 Å²	134	83%	0.832	80%	0.802	S	S	*	*			trans	-97.4	113.8	156.5	-51.3	0	0	0	0	106.6
263	A	22.7	Very low	21.5	Very low	105 Å²	105	133.8 Å²	133.8	87%	0.868	80%	0.802	S	S	*	*			trans	-132.7	79.2	165.4	0	0	0	0	0	107.5
264	T	22.4	Very low	21.7	Very low	133 Å²	133	132.8 Å²	132.8	82%	0.816	80%	0.803	S	S	*	*			trans	-73.1	147.7	165.8	43.2	0	0	0	0	110
265	C	18.5	Very low	21.7	Very low	105 Å²	105	133.2 Å²	133.2	71%	0.709	81%	0.806	S	S	*	*			trans	-63.6	164.5	169.5	53.8	0	0	0	0	113.3
266	E	20.9	Very low	21.6	Very low	190 Å²	190	135.9 Å²	135.9	89%	0.888	81%	0.811	S	S	*	*			trans	94.1	119.7	156.9	-64.5	-178.2	170.4	0	0	118.9
267	A	19.8	Very low	21.7	Very low	106 Å²	106	132.2 Å²	132.2	88%	0.876	81%	0.806	S	S	*	*			trans	-85.5	129	-178	0	0	0	0	0	110.5
268	A	22	Very low	21.8	Very low	101 Å²	101	130.4 Å²	130.4	84%	0.835	80%	0.801	S	S	*	*			trans	-147	107.9	157.5	0	0	0	0	0	108.1
269	V	19.4	Very low	21.8	Very low	140 Å²	140	131 Å²	131	85%	0.848	80%	0.803	S	S	*	*			trans	-102.8	126.7	167.3	172.6	0	0	0	0	104.9
270	P	21.8	Very low	21.9	Very low	102 Å²	102	131 Å²	131	66%	0.662	80%	0.803	S	S	*	*				-153.3	159.2	98.3	37.6	-17.7	0	0	0	117.4
271	N	22.7	Very low	22	Very low	138 Å²	138	131.5 Å²	131.5	74%	0.738	80%	0.801	S	S	*	*			trans	100.9	106.3	146.1	-68.6	-30.4	0	0	0	121.9
272	V	20.7	Very low	21.9	Very low	123 Å²	123	129.1 Å²	129.1	75%	0.745	80%	0.799	S	S	*	*				62.5	95	124	-172.4	0	0	0	0	116
273	C	19.8	Very low	21.9	Very low	103 Å²	103	127.8 Å²	127.8	70%	0.696	80%	0.796	S	S	*	*				62.7	103.4	78.2	-155.6	0	0	0	0	113.5
274	T	26.8	Very low	21.9	Very low	148 Å²	148	129.9 Å²	129.9	91%	0.908	79%	0.792	S	S	*	*			trans	-145.7	136.2	148.4	43.6	0	0	0	0	110
275	D	22.1	Very low	21.9	Very low	151 Å²	151	135.5 Å²	135.5	81%	0.807	80%	0.798	S	S	*	*			trans	-77.1	162.9	-157.6	-96.7	-47.8	0	0	0	116.9
276	L	19	Very low	22.1	Very low	164 Å²	164	137.7 Å²	137.7	86%	0.859	80%	0.798	S	S	*	*			trans	-69.1	118.6	171.8	-170.5	69.5	0	0	0	111.5
277	S	24.4	Very low	22.2	Very low	106 Å²	106	137 Å²	137	74%	0.741	79%	0.792	S	S	*	*			trans	-140.1	101.2	159.7	62.7	0	0	0	0	109.3
278	T	23.3	Very low	22.2	Very low	112 Å²	112	144 Å²	144	69%	0.687	80%	0.796	S	S	*	*				67.8	100.2	93.9	-40.3	0	0	0	0	114.5
279	I	21	Very low	22.3	Very low	158 Å²	158	144.4 Å²	144.4	81%	0.81	79%	0.793	S	S	*	*			trans	49.6	105.1	140.7	-49.3	169	0	0	0	116.6
280	D	24.8	Very low	22.6	Very low	153 Å²	153	149.3 Å²	149.3	82%	0.818	80%	0.796	S	S	*	*			trans	-137.5	167.6	150.1	-138.9	-19.5	0	0	0	111.9
281	S	24.9	Very low	22.8	Very low	105 Å²	105	150.5 Å²	150.5	73%	0.734	80%	0.802	S	S	*	*			trans	-86.1	157.4	-130.6	-59.5	0	0	0	0	117	A283	S281-A283 PolarHBondContact O-N 3.41Å
282	V	20.7	Very low	22.8	Very low	150 Å²	150	155.5 Å²	155.5	91%	0.909	81%	0.81	S	S	*	*			trans	-64.5	114	174.3	173.3	0	0	0	0	111.2
283	A	21.7	Very low	22.9	Very low	91 Å²	91	159.4 Å²	159.4	75%	0.752	82%	0.817	S	S	*	*			trans	-157.7	129.5	151.9	0	0	0	0	0	111.5	S281	S281-A283 PolarHBondContact O-N 3.41Å
284	D	23.1	Very low	22.9	Very low	148 Å²	148	162.7 Å²	162.7	79%	0.791	82%	0.822	S	S	*	*			trans	72.3	82.2	153.2	-146.6	18.5	0	0	0	119.9
285	R	22.1	Very low	22.7	Very low	251 Å²	251	161.5 Å²	161.5	95%	0.947	82%	0.818	S	S	*	*			trans	-146.8	75.3	154.2	-131.2	174	-173.7	176.9	4.3	111.8
286	Q	22.6	Very low	22.7	Very low	151 Å²	151	163.4 Å²	163.4	71%	0.706	82%	0.819	S	S	*	*			trans	-76.2	136.3	166.1	-79.3	-165.7	3.7	0	0	111.9
287	K	22.4	Very low	22.8	Very low	177 Å²	177	163 Å²	163	77%	0.77	82%	0.817	S	S	*	*			trans	73.4	81.7	149.5	-65	166.6	-176.3	165.4	0	118.5
288	R	21.6	Very low	22.7	Very low	251 Å²	251	161.4 Å²	161.4	95%	0.947	82%	0.817	S	S	*	*			trans	-133.1	72.5	144.7	-77.1	-173.7	175.5	178.2	-1.1	110.5	R290	R288-R290 PolarHBondContact O-N 3.49Å
289	S	24.1	Very low	22.6	Very low	110 Å²	110	163.2 Å²	163.2	77%	0.769	82%	0.821	S	S	*	*			trans	-85.8	103.2	172.3	-176.7	0	0	0	0	110.1	T291	S289-T291 PolarHBondContact O-N 3.38Å
290	R	25.5	Very low	22.7	Very low	243 Å²	243	158.9 Å²	158.9	92%	0.917	82%	0.815	S	S	*	*			trans	-72.1	100.3	169.2	-81.7	174.6	153.5	168.4	-7	108.8	R288 R292	R288-R290 PolarHBondContact O-N 3.49Å; R290-R292 PolarHBondContact O-N 3.24Å
291	T	25	Very low	22.6	Very low	127 Å²	127	154.9 Å²	154.9	78%	0.779	81%	0.81	S	S	*	*			trans	-67.9	100.7	172.1	47	0	0	0	0	110.6	S289 K293	S289-T291 PolarHBondContact O-N 3.38Å; T291-K293 PolarHBondContact O-N 3Å; T291-K293 VanDerWaalsContact O-N 3.14Å
292	R	22.6	Very low	22.4	Very low	243 Å²	243	159.9 Å²	159.9	92%	0.917	82%	0.819	S	S	*	*			trans	-54.9	107.2	168.6	-166.4	174.5	-172.4	165	1.7	109.1	R290 Q294	R290-R292 PolarHBondContact O-N 3.24Å; R292-Q294 PolarHBondContact O-N 2.95Å
293	K	23.1	Very low	22.5	Very low	206 Å²	206	161.2 Å²	161.2	90%	0.896	82%	0.815	S	S	*	*			trans	-62.1	103.1	173.9	-83	179.9	177.6	173	0	108.9	T291 C295	T291-K293 PolarHBondContact O-N 3Å; T291-K293 VanDerWaalsContact O-N 3.14Å; K293-C295 PolarHBondContact O-N 3.32Å
294	Q	21	Very low	22.4	Very low	172 Å²	172	161.7 Å²	161.7	80%	0.804	82%	0.818	S	S	*	*			trans	-69.7	113.5	174.1	-134.6	168.3	7.7	0	0	108.8	R292 K296	R292-Q294 PolarHBondContact O-N 2.95Å; Q294-K296 PolarHBondContact O-N 3.26Å
295	C	21.1	Very low	22.3	Very low	122 Å²	122	165.3 Å²	165.3	82%	0.824	82%	0.821	S	S	*	*			trans	-62.8	103.6	169.8	-87.8	0	0	0	0	109.3	K293 I297	K293-C295 PolarHBondContact O-N 3.32Å; C295-I297 PolarHBondContact O-N 3.39Å
296	K	22.1	Very low	22.2	Very low	191 Å²	191	161.2 Å²	161.2	83%	0.83	82%	0.817	S	S	*	*			trans	-81.6	101.9	170.6	-70.5	-174.5	178.1	-175.6	0	108.8	Q294 G298	Q294-K296 PolarHBondContact O-N 3.26Å; K296-G298 PolarHBondContact O-N 2.86Å; K296-G298 VanDerWaalsContact O-N 3.15Å
297	I	21	Very low	22.1	Very low	156 Å²	156	159.8 Å²	159.8	80%	0.8	82%	0.824	S	S	*	*			trans	-72.6	96.2	167.3	-61.9	166.1	0	0	0	106.5	C295	C295-I297 PolarHBondContact O-N 3.39Å
298	G	22.3	Very low	22	Very low	73 Å²	73	162.6 Å²	162.6	75%	0.753	83%	0.829	S	S	*	*			trans	-90.3	119.7	175.9	0	0	0	0	0	110.8	K296	K296-G298 PolarHBondContact O-N 2.86Å; K296-G298 VanDerWaalsContact O-N 3.15Å
299	I	22	Very low	22	Very low	150 Å²	150	159.7 Å²	159.7	77%	0.769	83%	0.827	S	S	*	*	S	Bend	trans	-98.6	111.9	171.7	-62.1	172.2	0	0	0	108.1
300	G	23.2	Very low	21.8	Very low	67 Å²	67	165.6 Å²	165.6	69%	0.691	83%	0.832	S	S	*	*	S	Bend	trans	91.6	96.3	175.4	0	0	0	0	0	112.9	F302	G300-F302 PolarHBondContact O-N 3.27Å
301	G	21.6	Very low	21.7	Very low	68 Å²	68	159.8 Å²	159.8	70%	0.701	83%	0.826	S	S	*	*			trans	-68.3	118	-176.1	0	0	0	0	0	113.8
302	F	21.2	Very low	21.5	Very low	211 Å²	211	162.7 Å²	162.7	93%	0.925	83%	0.831	S	S	*	*			trans	-140	120.9	148	-81.2	-82.8	0	0	0	107.1	G300	G300-F302 PolarHBondContact O-N 3.27Å
303	H	22.7	Very low	21.5	Very low	178 Å²	178	160.8 Å²	160.8	82%	0.824	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-101.6	118.2	-179.1	-94	-90.7	0	0	0	110.2
304	A	20.7	Very low	21.6	Very low	100 Å²	100	156.7 Å²	156.7	83%	0.826	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-89.4	120.5	156.5	0	0	0	0	0	108.4
305	R	20.7	Very low	21.5	Very low	224 Å²	224	157 Å²	157	85%	0.845	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-71.2	130.4	178.8	-93.8	176.4	168.3	170	-6.7	110.3
306	L	20.8	Very low	21.7	Very low	165 Å²	165	156.2 Å²	156.2	86%	0.864	83%	0.826	S	S	*	*			trans	-110.3	128.2	152.9	-89	162.5	0	0	0	108.1	R308	L306-R308 PolarHBondContact O-N 3.14Å
307	S	20.5	Very low	21.6	Very low	121 Å²	121	155.6 Å²	155.6	85%	0.846	83%	0.825	S	S	*	*			trans	-55.7	124.7	-179.3	-171.7	0	0	0	0	110.6
308	R	18.9	Very low	21.8	Very low	236 Å²	236	154.4 Å²	154.4	89%	0.891	83%	0.826	S	S	*	*			trans	-113.9	116.5	171.2	-77.7	-173.4	176.2	-178.7	-1	108.7	L306	L306-R308 PolarHBondContact O-N 3.14Å
309	Q	21.4	Very low	21.8	Very low	190 Å²	190	157.4 Å²	157.4	89%	0.888	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-60.4	135.8	170.6	-69.1	169.1	-18.9	0	0	109.9
310	R	20.5	Very low	22.1	Very low	235 Å²	235	156 Å²	156	89%	0.887	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-92.5	126	-175	-171.2	178.2	-168.8	165.6	1.1	109.4
311	P	23.8	Very low	22.1	Very low	120 Å²	120	159.5 Å²	159.5	78%	0.779	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-78.2	130.6	167.8	-7	24.2	0	0	0	110
312	E	20.7	Very low	22.4	Very low	189 Å²	189	159.9 Å²	159.9	88%	0.883	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-66.9	143	174.8	-62.5	176.5	162.7	0	0	111
313	K	21.7	Very low	22.4	Very low	202 Å²	202	158 Å²	158	88%	0.878	84%	0.842	S	S	*	*			trans	-138.4	146.7	162.3	-94.6	-166.2	175.6	-173.2	0	110.9
314	P	24.8	Very low	22.6	Very low	120 Å²	120	154 Å²	154	78%	0.779	84%	0.839	S	S	*	*			trans	-87.9	161.4	-155.5	-6.4	27.3	0	0	0	114.1
315	L	20.5	Very low	22.7	Very low	179 Å²	179	156.5 Å²	156.5	94%	0.937	84%	0.844	S	S	*	*			trans	-63	138.4	177	-64.8	138.8	0	0	0	113.1
316	S	24.6	Very low	23.1	Very low	106 Å²	106	150.2 Å²	150.2	74%	0.741	84%	0.84	S	S	*	*			trans	-169.4	102.8	152.3	59.7	0	0	0	0	107
317	E	21.1	Very low	23.3	Very low	177 Å²	177	149.9 Å²	149.9	83%	0.827	84%	0.84	S	S	*	*				78.4	139.8	86.9	-84.2	-169.4	178.1	0	0	115.6
318	T	24.1	Very low	23.4	Very low	132 Å²	132	153.2 Å²	153.2	81%	0.81	84%	0.839	S	S	*	*			trans	88.5	109.7	165.2	70	0	0	0	0	118.6
319	V	22.9	Very low	23.8	Very low	135 Å²	135	147.4 Å²	147.4	82%	0.818	83%	0.831	S	S	*	*			trans	-91.3	124.7	172.7	172.7	0	0	0	0	107.8
320	P	28.6	Very low	24	Very low	122 Å²	122	148.1 Å²	148.1	79%	0.792	83%	0.832	S	S	*	*			trans	-98.7	115.9	163.7	14.9	3.3	0	0	0	109.8
321	T	22.7	Very low	24.2	Very low	139 Å²	139	146 Å²	146	85%	0.853	83%	0.829	S	S	*	*			trans	-65.2	132.5	163	46.6	0	0	0	0	110.2
322	G	26.7	Very low	24.1	Very low	76 Å²	76	150.8 Å²	150.8	78%	0.784	83%	0.831	S	S	*	*			trans	-163.4	94.4	177.2	0	0	0	0	0	111.9
323	D	22	Very low	24.2	Very low	173 Å²	173	151.8 Å²	151.8	93%	0.925	83%	0.833	S	S	*	*			trans	-63.3	130.8	169.4	-75.3	-47.7	0	0	0	111.3
324	A	27.3	Very low	24.2	Very low	93 Å²	93	153.8 Å²	153.8	77%	0.769	84%	0.835	S	S	*	*			trans	-154.7	102.1	157.8	0	0	0	0	0	110.3	A326	A324-A326 PolarHBondContact O-N 2.94Å
325	T	23.5	Very low	24.2	Very low	152 Å²	152	154.5 Å²	154.5	93%	0.933	84%	0.837	S	S	*	*			trans	-60.2	110.8	164.4	49.8	0	0	0	0	109.7
326	A	27.3	Very low	24.2	Very low	92 Å²	92	155.4 Å²	155.4	76%	0.76	83%	0.828	S	S	*	*			trans	-129.9	119.3	171.2	0	0	0	0	0	111	A324	A324-A326 PolarHBondContact O-N 2.94Å
327	D	25.4	Very low	24	Very low	159 Å²	159	161.7 Å²	161.7	85%	0.85	84%	0.836	S	S	*	*			trans	-57.7	145.1	-171.5	-152.7	-10.7	0	0	0	113.5	P329	D327-P329 VanDerWaalsContact O-CD 3.24Å; D327-P329 WeakPolarHBondContact O-CD 3.28Å
328	K	22.5	Very low	24	Very low	190 Å²	190	162 Å²	162	83%	0.826	83%	0.834	S	S	*	*			trans	-90.6	108.8	-173.9	-79.2	177.1	179.9	167	0	111	K330	K328-K330 PolarHBondContact O-N 2.8Å
329	P	28.6	Very low	23.9	Very low	114 Å²	114	160.3 Å²	160.3	74%	0.74	83%	0.833	S	S	*	*			trans	-80.3	124.7	171.9	30	-25.6	0	0	0	110.1	D327 K331	D327-P329 VanDerWaalsContact O-CD 3.24Å; D327-P329 WeakPolarHBondContact O-CD 3.28Å; P329-K331 PolarHBondContact O-N 3.06Å
330	K	25.2	Very low	23.7	Very low	206 Å²	206	161.2 Å²	161.2	90%	0.896	83%	0.833	S	S	*	*			trans	-57.4	100.4	176.9	-67.4	172.6	179.4	171.5	0	111.2	K328 R332	K328-K330 PolarHBondContact O-N 2.8Å; K330-R332 PolarHBondContact O-N 2.87Å; K330-R332 VanDerWaalsContact O-N 3.12Å
331	K	23.3	Very low	23.3	Very low	189 Å²	189	162.1 Å²	162.1	82%	0.822	83%	0.83	S	S	*	*			trans	-72.6	100.2	170.9	-80.9	-179.1	176.7	173	0	110.7	P329 K333	P329-K331 PolarHBondContact O-N 3.06Å; K331-K333 PolarHBondContact O-N 3.38Å
332	R	22.5	Very low	23.2	Very low	221 Å²	221	162.5 Å²	162.5	83%	0.834	82%	0.822	S	S	*	*			trans	-61.9	122.2	166.8	-78.6	170.2	69.5	150.1	-0.5	109.8	K330 R334	K330-R332 PolarHBondContact O-N 2.87Å; K330-R332 VanDerWaalsContact O-N 3.12Å; R332-R334 PolarHBondContact O-N 3.45Å
333	K	23.5	Very low	22.9	Very low	210 Å²	210	164 Å²	164	91%	0.913	81%	0.812	S	S	*	*			trans	-60.7	115.7	171.4	-74.2	-179.5	176.4	179.4	0	109.2	K331	K331-K333 PolarHBondContact O-N 3.38Å
334	R	21.9	Very low	22.9	Very low	245 Å²	245	160 Å²	160	93%	0.925	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-84.8	122.2	-179.6	-152.8	175.3	-175.6	177.5	1.5	109.3	R332	R332-R334 PolarHBondContact O-N 3.45Å
335	T	23	Very low	22.7	Very low	134 Å²	134	156.7 Å²	156.7	82%	0.822	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-65.4	123.3	171.8	18.1	0	0	0	0	110.3	R337	T335-R337 PolarHBondContact O-N 3.44Å
336	R	22.4	Very low	22.9	Very low	199 Å²	199	149.9 Å²	149.9	75%	0.751	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-77.5	119.3	175.6	-158.4	176.3	-172	177.1	2.2	108.9
337	R	19.8	Very low	22.7	Very low	238 Å²	238	146.1 Å²	146.1	90%	0.898	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-75	152.6	173.9	-88.7	178.6	170.9	168.3	-4	111.4	T335	T335-R337 PolarHBondContact O-N 3.44Å
338	K	21.4	Very low	22.5	Very low	184 Å²	184	142.6 Å²	142.6	80%	0.8	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-61.9	134.9	165.8	-86.1	176.3	169.1	174.9	0	112.1
339	A	21.2	Very low	22.5	Very low	95 Å²	95	139.8 Å²	139.8	79%	0.785	65%	0.651	S	S	*	*			trans	-136.8	117.7	145.8	0	0	0	0	0	103.4
340	L	19.7	Very low	22.3	Very low	154 Å²	154	142.7 Å²	142.7	81%	0.806	65%	0.654	S	S	*	*				59.9	119.2	57.8	-113.8	157.2	0	0	0	112.5
341	L	20.3	Very low	22.2	Very low	142 Å²	142	137.8 Å²	137.8	74%	0.743	64%	0.641	S	S	*	*			trans	80.6	105.1	-175	-86.7	66.4	0	0	0	115.4
342	E	19.7	Very low	22.2	Very low	146 Å²	146	139.6 Å²	139.6	68%	0.682	64%	0.643	S	S	*	*				73.1	121.2	70	-82.9	178.3	170.8	0	0	113.5
343	D	21.4	Very low	22.2	Very low	108 Å²	108	134.8 Å²	134.8	58%	0.578	64%	0.644	S	S	*	*			trans	73.1	150.8	142.7	-59.8	-10.9	0	0	0	119.5	N143	N143-D343 PolarHBondContact OD1-O 2.99Å
344	L	21.6	Very low	22.3	Very low	90 Å²	90	131 Å²	131	47%	0.471	63%	0.627	S	S	.	*			cis	168.8	103.3	-33.4	-103.6	175.1	0	0	0	104	N143	N143-L344 VanDerWaalsContact CG-N 3.3Å; N143-L344 VanDerWaalsContact ND2-C 3.3Å; N143-L344 PolarHBondContact ND2-O 3.25Å; N143-L344 PolarHBondContact OD1-N 3.07Å
345	Y	21.7	Very low	22.5	Very low	22 Å²	22	124 Å²	124	9%	0.086	62%	0.615	C	S	.	*			trans	94.6	150.7	141.1	-79.9	-100.9	0	0	0	124.1	L62 N63 Y64 N143 M724	L62-Y345 VanDerWaalsContact CB-OH 3.31Å; L62-Y345 WeakPolarHBondContact CB-OH 3.38Å; L62-Y345 VanDerWaalsContact O-CE2 3.28Å; L62-Y345 WeakPolarHBondContact O-CE2 2.94Å; L62-Y345 PolarHBondContact O-OH 3.05Å; N63-Y345 VanDerWaalsContact CA-CE2 3.43Å; N63-Y345 WeakPolarHBondContact CA-OH 2.88Å; N63-Y345 HydrophobicContact CB-CE2 4.45Å; N63-Y345 PolarHBondContact N-OH 3.22Å; N63-Y345 PolarHBondContact O-OH 2.91Å; N63-Y345 WeakPolarHBondContact OD1-CD2 3.39Å; Y64-Y345 VanDerWaalsContact CD1-N 3.31Å; Y64-Y345 HydrophobicContact CG-CG 4.44Å; N143-Y345 WeakPolarHBondContact CB-O 3.49Å; N143-Y345 PolarHBondContact ND2-O 2.87Å; Y345-M724 HydrophobicContact CD1-CE 3.9Å; Y345-M724 HydrophobicContact CD1-CG 4.27Å; Y345-M724 HydrophobicContact CD1-SD 3.18Å; Y345-M724 WeakPolarHBondContact CD1-SD 3.25Å; Y345-M724 HydrophobicContact CE1-CE 3.26Å; Y345-M724 HydrophobicContact CE1-SD 3.25Å; Y345-M724 WeakPolarHBondContact CE1-SD 2.72Å; Y345-M724 HydrophobicContact CG-SD 4.23Å
346	P	28.2	Very low	22.6	Very low	9 Å²	9	121.8 Å²	121.8	6%	0.058	61%	0.605	C	S	.	*				-100.3	-160.7	-110.7	31.9	-34.5	0	0	0	120.8	Y64 V67 L720 M724	Y64-P346 HydrophobicContact CD2-CB 3.49Å; Y64-P346 VanDerWaalsContact CD2-CB 3.49Å; Y64-P346 HydrophobicContact CE2-CB 4.49Å; Y64-P346 HydrophobicContact CG-CB 3.77Å; Y64-P346 WeakPolarHBondContact O-CB 3.2Å; V67-P346 HydrophobicContact CG2-CG 4.31Å; P346-L720 HydrophobicContact CB-CD2 4.35Å; P346-L720 HydrophobicContact CG-CD2 3.62Å; P346-L720 WeakPolarHBondContact O-CD2 3.22Å; P346-M724 HydrophobicContact CG-CG 4.5Å
347	R	22.5	Very low	22.9	Very low	14 Å²	14	118.4 Å²	118.4	5%	0.053	60%	0.596	C	S	.	*				147.8	152.9	98.2	-138.9	178.5	-144.5	-160.9	20.2	115.9	Q719 L720 W721 E723	R347-Q719 PolarHBondContact NH1-O 3.5Å; R347-Q719 PolarHBondContact NH2-O 3.29Å; R347-L720 HydrophobicContact CB-CD2 3.7Å; R347-L720 HydrophobicContact CG-CD2 4.21Å; R347-L720 VanDerWaalsContact CZ-C 3.44Å; R347-L720 PolarHBondContact NH2-O 3.25Å; R347-W721 VanDerWaalsContact NH2-N 3.18Å; R347-W721 PolarHBondContact NH2-O 3.4Å; R347-E723 WeakPolarHBondContact CD-OE2 3.33Å; R347-E723 WeakPolarHBondContact CG-OE2 3.31Å; R347-E723 VanDerWaalsContact CZ-CA 3.41Å; R347-E723 VanDerWaalsContact CZ-CG 3.46Å; R347-E723 IonicContact CZ-OE1 3.64Å; R347-E723 IonicContact CZ-OE2 2.91Å; R347-E723 IonicContact NE-OE1 3.01Å; R347-E723 IonicContact NE-OE2 2.71Å; R347-E723 PolarHBondContact NE-OE2 3.26Å; R347-E723 VanDerWaalsContact NE-OE2 3.13Å; R347-E723 VanDerWaalsContact NH1-N 3.15Å; R347-E723 IonicContact NH1-OE1 3.85Å; R347-E723 PolarHBondContact NH1-OE1 2.68Å; R347-E723 IonicContact NH1-OE2 3.82Å; R347-E723 PolarHBondContact NH1-OE2 3.2Å
348	Y	22.8	Very low	23.2	Very low	84 Å²	84	111.3 Å²	111.3	33%	0.329	58%	0.578	S	S	.	*			trans	1.3	134.5	155.2	74.3	-36	0	0	0	123.5	N68 Q719 E723	N68-Y348 WeakPolarHBondContact ND2-CA 3.21Å; N68-Y348 PolarHBondContact ND2-N 2.96Å; Y348-Q719 WeakPolarHBondContact OH-CG 3.06Å; Y348-Q719 PolarHBondContact OH-NE2 3.32Å; Y348-E723 WeakPolarHBondContact CD1-OE2 3.24Å; Y348-E723 HydrophobicContact CD2-CG 4.47Å; Y348-E723 WeakPolarHBondContact CD2-OE1 3.47Å; Y348-E723 WeakPolarHBondContact CD2-OE2 3.35Å; Y348-E723 VanDerWaalsContact CE1-OE1 3.23Å; Y348-E723 WeakPolarHBondContact CE1-OE1 3.23Å; Y348-E723 VanDerWaalsContact CE1-OE2 3.23Å; Y348-E723 WeakPolarHBondContact CE1-OE2 3.34Å; Y348-E723 HydrophobicContact CE2-CG 4.41Å; Y348-E723 WeakPolarHBondContact CE2-OE1 3Å; Y348-E723 VanDerWaalsContact CE2-OE2 3.25Å; Y348-E723 WeakPolarHBondContact CE2-OE2 2.83Å; Y348-E723 PolarHBondContact OH-OE1 3.39Å
349	I	22.8	Very low	23.4	Very low	131 Å²	131	110.6 Å²	110.6	67%	0.672	58%	0.575	S	S	*	*				167.8	104	118.5	-79.9	159	0	0	0	103.9
350	Q	23.8	Very low	23.6	Very low	175 Å²	175	114.4 Å²	114.4	82%	0.818	57%	0.571	S	S	*	*			trans	-172.1	68.9	152.7	-103.2	167.1	22	0	0	108.7
351	V	22.9	Very low	24	Very low	103 Å²	103	112.9 Å²	112.9	62%	0.624	56%	0.559	S	S	*	*			trans	-91.9	98.7	150.8	175.9	0	0	0	0	104.9
352	R	23.2	Very low	24.5	Very low	228 Å²	228	111.1 Å²	111.1	86%	0.86	55%	0.554	S	S	*	*			trans	-140	16	168.9	-124.2	-177.7	-175	179.4	1.2	116.8
353	S	23.3	Very low	24.9	Very low	120 Å²	120	107.8 Å²	107.8	84%	0.839	54%	0.544	S	S	*	.	S	Bend	trans	-108.8	6.7	169.8	23.3	0	0	0	0	114.7
354	F	25.3	Very low	25.2	Very low	131 Å²	131	110.4 Å²	110.4	58%	0.575	55%	0.551	S	S	*	*	S	Bend	trans	-111.9	-11.3	176.8	-147.8	-99.8	0	0	0	115.2	S356 F357	F354-S356 PolarHBondContact O-N 2.81Å; F354-F357 HydrophobicContact CE1-CB 4.28Å; F354-F357 HydrophobicContact CE1-CD1 4.26Å; F354-F357 HydrophobicContact CZ-CB 4.27Å; F354-F357 HydrophobicContact CZ-CD1 4.01Å; F354-F357 HydrophobicContact CZ-CG 4.31Å; F354-F357 PolarHBondContact O-N 3.41Å; F354-F357 VanDerWaalsContact O-N 3.15Å
355	C	25.4	Very low	25.6	Very low	97 Å²	97	113.3 Å²	113.3	66%	0.655	57%	0.566	S	S	*	*	H	α-helix	trans	-70.8	-6.5	175.8	-75.4	0	0	0	0	114.2
356	S	26	Very low	25.8	Very low	88 Å²	88	115.7 Å²	115.7	62%	0.615	59%	0.59	S	S	*	*	H	α-helix	trans	-81.6	-20.8	171.4	-158.4	0	0	0	0	112.4	F354 Y360	F354-S356 PolarHBondContact O-N 2.81Å; S356-Y360 WeakPolarHBondContact O-CD2 2.99Å
357	F	27.3	Very low	25.8	Very low	128 Å²	128	121 Å²	121	56%	0.561	62%	0.617	S	S	*	*	H	α-helix	trans	-82.9	-34.6	-176	-163.3	-103.7	0	0	0	113.4	F354 K359 Y360	F354-F357 HydrophobicContact CE1-CB 4.28Å; F354-F357 HydrophobicContact CE1-CD1 4.26Å; F354-F357 HydrophobicContact CZ-CB 4.27Å; F354-F357 HydrophobicContact CZ-CD1 4.01Å; F354-F357 HydrophobicContact CZ-CG 4.31Å; F354-F357 PolarHBondContact O-N 3.41Å; F354-F357 VanDerWaalsContact O-N 3.15Å; F357-K359 VanDerWaalsContact C-N 3.34Å; F357-K359 PolarHBondContact O-N 2.92Å; F357-Y360 PolarHBondContact O-N 2.97Å
358	V	27.6	Very low	26	Very low	88 Å²	88	123.7 Å²	123.7	53%	0.533	65%	0.649	S	S	.	*	H	α-helix	trans	-76.2	-23	-178.5	-176.9	0	0	0	0	112.3	Y360 Q361	V358-Y360 VanDerWaalsContact C-N 3.27Å; V358-Y360 PolarHBondContact O-N 3.47Å; V358-Q361 PolarHBondContact O-N 3.29Å
359	K	24.2	Very low	26.2	Very low	170 Å²	170	128.7 Å²	128.7	74%	0.739	67%	0.673	S	S	*	*	H	α-helix	trans	-68.5	-27.6	175.2	-134.7	179.5	-175.8	-175.3	0	112.5	F357 T363	F357-K359 VanDerWaalsContact C-N 3.34Å; F357-K359 PolarHBondContact O-N 2.92Å; K359-T363 PolarHBondContact O-OG1 2.92Å
360	Y	27.2	Very low	26.3	Very low	175 Å²	175	131 Å²	131	69%	0.686	68%	0.679	S	S	*	*	H	α-helix	trans	-76	-24.4	177.1	-87.6	-79.7	0	0	0	114	S356 F357 V358	S356-Y360 WeakPolarHBondContact O-CD2 2.99Å; F357-Y360 PolarHBondContact O-N 2.97Å; V358-Y360 VanDerWaalsContact C-N 3.27Å; V358-Y360 PolarHBondContact O-N 3.47Å
361	Q	27.6	Very low	26.3	Very low	121 Å²	121	132.4 Å²	132.4	57%	0.565	68%	0.682	S	S	*	*	H	α-helix	trans	-79.1	-35.1	178.2	-83.7	-73.9	-21.4	0	0	112.4	V358 T363 F364	V358-Q361 PolarHBondContact O-N 3.29Å; Q361-T363 VanDerWaalsContact C-N 3.25Å; Q361-T363 PolarHBondContact O-N 2.81Å; Q361-F364 PolarHBondContact O-N 2.88Å; Q361-F364 VanDerWaalsContact O-N 3.16Å
362	V	29.9	Very low	26.3	Very low	105 Å²	105	139.1 Å²	139.1	64%	0.636	70%	0.696	S	S	*	*	H	α-helix	trans	-71	-23.4	178.8	-176.5	0	0	0	0	111.9
363	T	28.5	Very low	26.2	Very low	77 Å²	77	139 Å²	139	47%	0.472	70%	0.697	S	S	.	*	H	α-helix	trans	-76.5	-24.7	173.1	-17.9	0	0	0	0	112.9	K359 Q361 A366 L367	K359-T363 PolarHBondContact O-OG1 2.92Å; Q361-T363 VanDerWaalsContact C-N 3.25Å; Q361-T363 PolarHBondContact O-N 2.81Å; T363-A366 PolarHBondContact O-N 3.02Å; T363-L367 PolarHBondContact O-N 3.43Å
364	F	27.4	Very low	26.2	Very low	162 Å²	162	145 Å²	145	71%	0.711	70%	0.702	S	S	*	*	H	α-helix	trans	-79.4	-25.6	-177.1	-131.7	-93.4	0	0	0	113.3	Q361 A366	Q361-F364 PolarHBondContact O-N 2.88Å; Q361-F364 VanDerWaalsContact O-N 3.16Å; F364-A366 VanDerWaalsContact C-N 3.33Å
365	L	29.4	Very low	26	Very low	151 Å²	151	147.5 Å²	147.5	79%	0.791	71%	0.713	S	S	*	*	H	α-helix	trans	-77.2	-19.8	171.2	-69.7	175.2	0	0	0	113.1
366	A	27.6	Very low	25.9	Very low	72 Å²	72	150.2 Å²	150.2	60%	0.595	72%	0.716	S	S	*	*	H	α-helix	trans	-83.9	-21.2	177.2	0	0	0	0	0	113.7	T363 F364	T363-A366 PolarHBondContact O-N 3.02Å; F364-A366 VanDerWaalsContact C-N 3.33Å
367	L	28	Very low	25.8	Very low	121 Å²	121	152.3 Å²	152.3	63%	0.634	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-94	-3.2	-177.6	-74.2	166.7	0	0	0	114.4	T363 F369	T363-L367 PolarHBondContact O-N 3.43Å; L367-F369 PolarHBondContact O-N 2.96Å
368	G	26.6	Very low	25.7	Very low	70 Å²	70	151 Å²	151	72%	0.722	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-68	-7.8	172.3	0	0	0	0	0	114.6
369	F	25.9	Very low	25.2	Very low	190 Å²	190	157.8 Å²	157.8	83%	0.833	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-93.2	3.3	-174.1	-113.9	-90	0	0	0	115.7	L367	L367-F369 PolarHBondContact O-N 2.96Å
370	F	25	Very low	25.3	Very low	180 Å²	180	157.8 Å²	157.8	79%	0.789	76%	0.762	S	S	*	*	S	Bend	trans	-121.3	7.7	-171.9	-110.6	-86.4	0	0	0	118
371	F	24.3	Very low	25	Very low	203 Å²	203	159.7 Å²	159.7	89%	0.89	77%	0.767	S	S	*	*			trans	-123.3	43.6	176.4	-83.2	-78.6	0	0	0	114.4
372	R	22.7	Very low	24.9	Very low	244 Å²	244	163.5 Å²	163.5	92%	0.921	78%	0.782	S	S	*	*	S	Bend	trans	-102.7	21.4	164.9	-162.4	167.5	162.3	136.9	-3.1	113.1
373	Y	22.1	Very low	24.5	Very low	225 Å²	225	166.1 Å²	166.1	88%	0.882	79%	0.793	S	S	*	*			trans	-135.7	68	179.2	-120.9	-88	0	0	0	112.5
374	R	21.8	Very low	24.2	Very low	248 Å²	248	172 Å²	172	94%	0.936	81%	0.807	S	S	*	*			trans	-169.2	66.7	148.1	-117.7	177.9	173	131.4	-2.7	109.8
375	F	21.1	Very low	24	Very low	182 Å²	182	169.6 Å²	169.6	80%	0.798	81%	0.807	S	S	*	*			trans	-79.7	148.8	155.9	-113.5	-99.6	0	0	0	108.3
376	E	23.6	Very low	23.6	Very low	154 Å²	154	172 Å²	172	72%	0.72	81%	0.807	S	S	*	*			trans	61.1	80.2	161.3	-79.8	127	-175.5	0	0	119
377	S	23.6	Very low	23.4	Very low	132 Å²	132	173.4 Å²	173.4	92%	0.923	81%	0.811	S	S	*	*			trans	-160.2	59.5	147.8	-77.5	0	0	0	0	111.5
378	A	25	Very low	23.1	Very low	100 Å²	100	172.7 Å²	172.7	83%	0.826	82%	0.816	S	S	*	*			trans	-164.6	51	162	0	0	0	0	0	111.6
379	R	18.6	Very low	22.9	Very low	232 Å²	232	176.8 Å²	176.8	88%	0.875	82%	0.821	S	S	*	*			trans	-103.8	92.6	155.1	-80.3	-173.6	179.5	179.7	2	106.6
380	H	24.7	Very low	22.6	Very low	170 Å²	170	179 Å²	179	79%	0.787	82%	0.823	S	S	*	*			trans	-176.4	131.4	148.1	-107.6	-76.3	0	0	0	110.8
381	R	22.5	Very low	22.5	Very low	214 Å²	214	177.5 Å²	177.5	81%	0.808	82%	0.822	S	S	*	*			trans	67	95.5	158	-63.4	175.2	-177.8	168.2	1.7	116.8
382	F	24.6	Very low	22.5	Very low	201 Å²	201	173.2 Å²	173.2	88%	0.882	82%	0.815	S	S	*	*				-163.1	93.6	106.9	-99.5	-72.9	0	0	0	108.5
383	N	21.4	Very low	22.4	Very low	160 Å²	160	166.5 Å²	166.5	86%	0.856	81%	0.812	S	S	*	*			trans	-98.3	103.4	164.8	-155	-1.7	0	0	0	104.9
384	R	22	Very low	22.4	Very low	201 Å²	201	162.4 Å²	162.4	76%	0.758	80%	0.801	S	S	*	*			trans	-141.7	103	172	-154.3	177.9	-167	178.3	3.9	109.4	Y386	R384-Y386 HydrophobicContact CG-CD2 4.5Å
385	P	23.5	Very low	22.5	Very low	111 Å²	111	156.7 Å²	156.7	72%	0.721	80%	0.796	S	S	*	*			trans	-91.3	108.3	166.5	32.4	-23.9	0	0	0	109
386	Y	21.5	Very low	22.7	Very low	203 Å²	203	157.7 Å²	157.7	80%	0.796	80%	0.796	S	S	*	*			trans	-153.1	136.2	162.5	-92.6	-91	0	0	0	103	R384	R384-Y386 HydrophobicContact CG-CD2 4.5Å
387	C	22.3	Very low	22.6	Very low	101 Å²	101	154.5 Å²	154.5	68%	0.682	80%	0.796	S	S	*	*			cis	-157.8	136.2	22.3	-176.7	0	0	0	0	106.9	L389	C387-L389 PolarHBondContact O-N 2.99Å
388	S	22.8	Very low	22.6	Very low	105 Å²	105	157.7 Å²	157.7	73%	0.734	80%	0.796	S	S	*	*			trans	-63.7	100.6	167.2	47.8	0	0	0	0	110.8	R390	S388-R390 PolarHBondContact O-N 2.88Å
389	L	22.3	Very low	22.6	Very low	156 Å²	156	157.8 Å²	157.8	82%	0.817	80%	0.796	S	S	*	*			trans	-87.3	90.5	157	-87	159.1	0	0	0	108	C387	C387-L389 PolarHBondContact O-N 2.99Å
390	R	20	Very low	22.9	Very low	236 Å²	236	150.6 Å²	150.6	89%	0.891	79%	0.794	S	S	*	*			trans	-70.9	115.7	158.9	-81.9	-179	177	177.8	-0.7	107.5	S388	S388-R390 PolarHBondContact O-N 2.88Å
391	I	23.2	Very low	22.9	Very low	149 Å²	149	150.8 Å²	150.8	76%	0.764	80%	0.8	S	S	*	*			trans	-123.9	123.9	153.2	-60.6	179.3	0	0	0	106.9
392	P	22.7	Very low	23	Very low	113 Å²	113	146 Å²	146	73%	0.734	80%	0.797	S	S	*	*			trans	-86.4	155.3	-168.5	2	18.9	0	0	0	112.2	Q394	P392-Q394 PolarHBondContact O-N 3.07Å
393	A	20.3	Very low	23.1	Very low	104 Å²	104	142.3 Å²	142.3	86%	0.86	80%	0.796	S	S	*	*			trans	-59.4	119.4	168.1	0	0	0	0	0	110.9
394	Q	23.9	Very low	23.4	Very low	139 Å²	139	138.3 Å²	138.3	65%	0.65	79%	0.792	S	S	*	*			trans	-118	131.1	156.7	-85.4	-158	-28.2	0	0	109.9	P392 Y396	P392-Q394 PolarHBondContact O-N 3.07Å; Q394-Y396 HydrophobicContact CB-CD2 4.42Å; Q394-Y396 HydrophobicContact CB-CE2 3.99Å; Q394-Y396 PolarHBondContact O-N 2.94Å; Q394-Y396 PolarHBondContact OE1-OH 2.98Å
395	P	23.3	Very low	23.5	Very low	128 Å²	128	137.5 Å²	137.5	83%	0.831	80%	0.797	S	S	*	*			trans	-82	111.2	174.1	31.4	-27.9	0	0	0	109.2
396	Y	24.3	Very low	23.6	Very low	202 Å²	202	141.2 Å²	141.2	79%	0.792	81%	0.805	S	S	*	*			trans	-90.5	116.6	168.9	-79.8	-87.8	0	0	0	109.8	Q394	Q394-Y396 HydrophobicContact CB-CD2 4.42Å; Q394-Y396 HydrophobicContact CB-CE2 3.99Å; Q394-Y396 PolarHBondContact O-N 2.94Å; Q394-Y396 PolarHBondContact OE1-OH 2.98Å
397	A	22.3	Very low	23.8	Very low	88 Å²	88	140.4 Å²	140.4	73%	0.727	81%	0.808	S	S	*	*			trans	-71.1	146.5	173.2	0	0	0	0	0	111.8
398	H	22.9	Very low	23.9	Very low	199 Å²	199	143.9 Å²	143.9	92%	0.921	82%	0.817	S	S	*	*			trans	15.3	108.1	157	-73.9	-80.4	0	0	0	119
399	A	24.9	Very low	24.1	Very low	101 Å²	101	145.9 Å²	145.9	84%	0.835	82%	0.818	S	S	*	*			trans	-127.9	126.7	149.6	0	0	0	0	0	108.6
400	G	24.6	Very low	24.3	Very low	81 Å²	81	147.9 Å²	147.9	84%	0.835	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-65.9	136.6	-164	0	0	0	0	0	114.9
401	L	24.6	Very low	24.6	Very low	174 Å²	174	148 Å²	148	91%	0.911	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-81.7	127.7	158	-95.1	136.6	0	0	0	108.4
402	P	26.3	Very low	24.7	Very low	115 Å²	115	147.2 Å²	147.2	75%	0.747	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-74.5	145.9	-177.7	29.6	-32	0	0	0	111.6	G404	P402-G404 PolarHBondContact O-N 3.33Å
403	S	25.7	Very low	25	Very low	123 Å²	123	145 Å²	145	86%	0.86	82%	0.817	S	S	*	*			trans	-52.8	111.2	175.8	51.8	0	0	0	0	112.9
404	G	27	Very low	25.5	Very low	75 Å²	75	144.9 Å²	144.9	77%	0.773	81%	0.811	S	S	*	*			trans	-127.5	46.4	168.3	0	0	0	0	0	110.9	P402 E406	P402-G404 PolarHBondContact O-N 3.33Å; G404-E406 VanDerWaalsContact C-N 3.34Å; G404-E406 PolarHBondContact O-N 3.06Å
405	E	24.6	Very low	25.8	Very low	184 Å²	184	147.8 Å²	147.8	86%	0.86	82%	0.824	S	S	*	*			trans	-86.6	8.8	-173.5	-112.7	-176.7	171.2	0	0	114.7
406	E	26.3	Very low	26.2	Very low	189 Å²	189	143.4 Å²	143.4	88%	0.883	80%	0.803	S	S	*	*	S	Bend	trans	-101.1	2.1	-169.5	-106.8	-178.1	169.1	0	0	117.6	G404	G404-E406 VanDerWaalsContact C-N 3.34Å; G404-E406 PolarHBondContact O-N 3.06Å
407	Q	25.7	Very low	26.4	Very low	186 Å²	186	141.1 Å²	141.1	87%	0.869	80%	0.799	S	S	*	*	S	Bend	trans	-113	-4	-177.9	-73	-171.7	0.5	0	0	116.9
408	M	23.6	Very low	27	Very low	175 Å²	175	139.5 Å²	139.5	86%	0.862	79%	0.791	S	S	*	*	S	Bend	trans	-88.7	-6.8	179.4	-72.6	-127.1	83.7	0	0	115.4
409	I	27.4	Very low	27.8	Very low	147 Å²	147	136.4 Å²	136.4	75%	0.754	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-7.5	-172.5	-64.1	179.8	0	0	0	114.5
410	K	27.2	Very low	28.7	Very low	198 Å²	198	137.7 Å²	137.7	86%	0.861	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	0.2	-176.2	-80.8	-174.6	177.9	176.7	0	117.4
411	R	25.8	Very low	30	Very low	238 Å²	238	140.5 Å²	140.5	90%	0.898	76%	0.761	S	S	*	*	S	Bend	trans	-102.9	-8.5	-177	-76	-174.5	178.3	-179.5	0.3	117.1
412	C	26.5	Very low	31.5	Very low	133 Å²	133	136.8 Å²	136.8	90%	0.899	74%	0.742	S	S	*	*	S	Bend	trans	-100	6.5	178.9	-73.6	0	0	0	0	115.2
413	A	28	Very low	33.5	Very low	65 Å²	65	136.8 Å²	136.8	54%	0.537	73%	0.732	S	S	.	*	S	Bend	trans	-105.8	-0.1	-170.3	0	0	0	0	0	116.3
414	S	31.4	Very low	36.1	Very low	103 Å²	103	133.9 Å²	133.9	72%	0.72	71%	0.706	S	S	*	*	S	Bend	trans	-107.4	-1.9	-173.7	57	0	0	0	0	116.4
415	Q	29.9	Very low	38.8	Very low	199 Å²	199	134.4 Å²	134.4	93%	0.93	69%	0.689	S	S	*	*	S	Bend	trans	-112.9	19.2	-176.9	-82.3	-170.3	-20.5	0	0	116
416	G	31.5	Very low	41.8	Very low	37 Å²	37	133.1 Å²	133.1	38%	0.381	68%	0.676	S	S	.	*			trans	-158.1	27.3	-177.6	0	0	0	0	0	117.1	G418	G416-G418 VanDerWaalsContact C-N 3.34Å; G416-G418 PolarHBondContact O-N 3.32Å
417	Q	29.4	Very low	44.9	Very low	153 Å²	153	125.4 Å²	125.4	72%	0.715	64%	0.639	S	S	*	*	H	α-helix	trans	-71.6	-25.3	-177.5	-73.1	-172.8	4.1	0	0	113.7
418	G	34.5	Very low	48.2	Very low	55 Å²	55	121 Å²	121	57%	0.567	62%	0.618	S	S	*	*	H	α-helix	trans	-66.4	-51.9	177.3	0	0	0	0	0	113.1	G416 M420 K421	G416-G418 VanDerWaalsContact C-N 3.34Å; G416-G418 PolarHBondContact O-N 3.32Å; G418-M420 VanDerWaalsContact C-N 3.33Å; G418-M420 PolarHBondContact O-N 3.46Å; G418-K421 PolarHBondContact O-N 2.71Å
419	D	39	Very low	51.5	Low	133 Å²	133	119.9 Å²	119.9	71%	0.711	61%	0.611	S	S	*	*	H	α-helix	trans	-68.6	-31.4	-175.5	-69	-30	0	0	0	113.4	K421 H423	D419-K421 VanDerWaalsContact C-N 3.32Å; D419-K421 PolarHBondContact O-N 3.46Å; D419-H423 PolarHBondContact O-N 3.21Å
420	M	43.8	Very low	54.7	Low	128 Å²	128	113.3 Å²	113.3	63%	0.631	58%	0.577	S	S	*	*	H	α-helix	trans	-66.3	-36.2	178.5	-162.3	82	70.2	0	0	111.6	G418 H423 L424	G418-M420 VanDerWaalsContact C-N 3.33Å; G418-M420 PolarHBondContact O-N 3.46Å; M420-H423 PolarHBondContact O-N 2.95Å; M420-L424 HydrophobicContact CG-CD1 4.02Å; M420-L424 WeakPolarHBondContact O-CD1 3.41Å; M420-L424 WeakPolarHBondContact O-CG 3.23Å; M420-L424 PolarHBondContact O-N 3.41Å
421	K	50.9	Low	57.8	Low	141 Å²	141	104.7 Å²	104.7	61%	0.613	54%	0.54	S	S	*	.	H	α-helix	trans	-66.9	-46.4	-176.1	-160	179.3	179.5	-174	0	111.5	G418 D419 H423 L424 E425	G418-K421 PolarHBondContact O-N 2.71Å; D419-K421 VanDerWaalsContact C-N 3.32Å; D419-K421 PolarHBondContact O-N 3.46Å; K421-H423 VanDerWaalsContact C-N 3.29Å; K421-H423 PolarHBondContact O-N 2.75Å; K421-L424 PolarHBondContact O-N 2.86Å; K421-E425 PolarHBondContact O-N 3.28Å; K421-E425 VanDerWaalsContact O-N 3.12Å
422	N	56.1	Low	61	Low	95 Å²	95	98 Å²	98	51%	0.508	53%	0.527	S	S	.	.	H	α-helix	trans	-61.9	-36.4	176.2	-74.4	-16.3	0	0	0	112.5	L424 R426	N422-L424 VanDerWaalsContact C-N 3.32Å; N422-L424 PolarHBondContact O-N 3.37Å; N422-R426 PolarHBondContact O-N 3.46Å
423	H	69.3	Low	64.2	Low	116 Å²	116	94.1 Å²	94.1	54%	0.537	50%	0.497	S	S	.	.	H	α-helix	trans	-70.9	-29	179.4	-154.7	-74.5	0	0	0	112.5	D419 M420 K421 W427	D419-H423 PolarHBondContact O-N 3.21Å; M420-H423 PolarHBondContact O-N 2.95Å; K421-H423 VanDerWaalsContact C-N 3.29Å; K421-H423 PolarHBondContact O-N 2.75Å; H423-W427 AromaticContact CE1-NE1 3.4Å; H423-W427 PolarHBondContact CE1-NE1 3.22Å; H423-W427 AromaticContact ND1-CE2 3.99Å; H423-W427 AromaticContact ND1-NE1 3.33Å; H423-W427 PolarHBondContact ND1-NE1 3.27Å
424	L	80.6	Confident	67.2	Low	61 Å²	61	92.2 Å²	92.2	32%	0.319	48%	0.484	S	S	.	.	H	α-helix	trans	-79.6	-39.4	178.6	-72.2	160.8	0	0	0	112.5	M420 K421 N422 R426 W427 E428 V463	M420-L424 HydrophobicContact CG-CD1 4.02Å; M420-L424 WeakPolarHBondContact O-CD1 3.41Å; M420-L424 WeakPolarHBondContact O-CG 3.23Å; M420-L424 PolarHBondContact O-N 3.41Å; K421-L424 PolarHBondContact O-N 2.86Å; N422-L424 VanDerWaalsContact C-N 3.32Å; N422-L424 PolarHBondContact O-N 3.37Å; L424-R426 VanDerWaalsContact C-N 3.26Å; L424-R426 PolarHBondContact O-N 3.39Å; L424-W427 WeakPolarHBondContact O-CB 3.49Å; L424-W427 PolarHBondContact O-N 3.36Å; L424-E428 PolarHBondContact O-N 3.45Å; L424-V463 HydrophobicContact CD2-CB 4.29Å; L424-V463 HydrophobicContact CD2-CG1 3.97Å; L424-V463 HydrophobicContact CD2-CG2 3.32Å
425	E	82.5	Confident	70.1	Confident	87 Å²	87	92.6 Å²	92.6	41%	0.407	48%	0.478	S	S	.	.	H	α-helix	trans	-59.9	-37.9	175.2	-75.1	177.1	-170.1	0	0	111.8	K421 W427 E428 Q429	K421-E425 PolarHBondContact O-N 3.28Å; K421-E425 VanDerWaalsContact O-N 3.12Å; E425-W427 VanDerWaalsContact C-N 3.25Å; E425-W427 PolarHBondContact O-N 3.03Å; E425-E428 WeakPolarHBondContact O-CB 3.45Å; E425-E428 PolarHBondContact O-N 2.77Å; E425-E428 VanDerWaalsContact O-N 3.14Å; E425-Q429 PolarHBondContact O-N 2.54Å
426	R	87.7	Confident	73.2	Confident	156 Å²	156	87.9 Å²	87.9	59%	0.589	45%	0.452	S	S	*	.	H	α-helix	trans	-63.7	-30.6	175.6	-160.1	-172.9	172.7	157.8	1.4	112.9	N422 L424 D430 I439	N422-R426 PolarHBondContact O-N 3.46Å; L424-R426 VanDerWaalsContact C-N 3.26Å; L424-R426 PolarHBondContact O-N 3.39Å; R426-D430 WeakPolarHBondContact O-CB 3.45Å; R426-D430 PolarHBondContact O-N 2.66Å; R426-I439 HydrophobicContact CB-CD1 4.41Å; R426-I439 HydrophobicContact CG-CD1 3.95Å; R426-I439 WeakPolarHBondContact O-CD1 2.98Å
427	W	93.3	Very high	76.3	Confident	27 Å²	27	86.1 Å²	86.1	10%	0.102	43%	0.434	C	S	.	.	H	α-helix	trans	-74	-32.7	176.3	-72	28.5	0	0	0	111.2	H423 L424 E425 D430 E431 I439 A441 V442 W459 V463 I466 A467	H423-W427 AromaticContact CE1-NE1 3.4Å; H423-W427 PolarHBondContact CE1-NE1 3.22Å; H423-W427 AromaticContact ND1-CE2 3.99Å; H423-W427 AromaticContact ND1-NE1 3.33Å; H423-W427 PolarHBondContact ND1-NE1 3.27Å; L424-W427 WeakPolarHBondContact O-CB 3.49Å; L424-W427 PolarHBondContact O-N 3.36Å; E425-W427 VanDerWaalsContact C-N 3.25Å; E425-W427 PolarHBondContact O-N 3.03Å; W427-D430 PolarHBondContact O-N 3.2Å; W427-E431 PolarHBondContact O-N 3.13Å; W427-I439 HydrophobicContact CG-CD1 4.34Å; W427-A441 HydrophobicContact CH2-CB 3.48Å; W427-A441 VanDerWaalsContact CH2-CB 3.48Å; W427-A441 HydrophobicContact CZ2-CB 3.77Å; W427-A441 HydrophobicContact CZ3-CB 3.98Å; W427-V442 HydrophobicContact CB-CG2 3.83Å; W427-V442 HydrophobicContact CD2-CG2 3.9Å; W427-V442 HydrophobicContact CE3-CG2 4.14Å; W427-V442 HydrophobicContact CG-CG2 3.77Å; W427-W459 HydrophobicContact CB-CH2 3.97Å; W427-W459 HydrophobicContact CB-CZ2 3.91Å; W427-V463 HydrophobicContact CE3-CG2 4.02Å; W427-I466 HydrophobicContact CE3-CG2 3.86Å; W427-I466 HydrophobicContact CZ3-CB 4.36Å; W427-I466 HydrophobicContact CZ3-CG2 3.65Å; W427-A467 HydrophobicContact CZ3-CB 4.18Å
428	E	94.4	Very high	79.4	Confident	93 Å²	93	79.8 Å²	79.8	44%	0.435	41%	0.407	S	S	.	.	H	α-helix	trans	-64.3	-42.5	177.9	-166	169.9	-170.1	0	0	111.5	L424 E425 D430 P432 W459	L424-E428 PolarHBondContact O-N 3.45Å; E425-E428 WeakPolarHBondContact O-CB 3.45Å; E425-E428 PolarHBondContact O-N 2.77Å; E425-E428 VanDerWaalsContact O-N 3.14Å; E428-D430 VanDerWaalsContact C-N 3.31Å; E428-D430 PolarHBondContact O-N 2.56Å; E428-P432 VanDerWaalsContact O-CD 3.25Å; E428-P432 WeakPolarHBondContact O-CD 3.04Å; E428-W459 HydrophobicContact CB-CD2 4.21Å; E428-W459 VanDerWaalsContact CB-CE2 3.49Å; E428-W459 HydrophobicContact CB-CH2 4.27Å; E428-W459 HydrophobicContact CB-CZ2 3.55Å; E428-W459 HydrophobicContact CG-CD2 3.91Å; E428-W459 HydrophobicContact CG-CG 4.08Å; E428-W459 HydrophobicContact CG-CZ2 4.18Å; E428-W459 PolarHBondContact OE2-NE1 3.2Å
429	Q	92.3	Very high	82.4	Confident	152 Å²	152	78.3 Å²	78.3	71%	0.71	39%	0.386	S	S	*	.	H	α-helix	trans	-71.3	-25.7	177.7	-64.3	177.7	8	0	0	113.2	E425	E425-Q429 PolarHBondContact O-N 2.54Å
430	D	94.7	Very high	85.1	Confident	10 Å²	10	72.7 Å²	72.7	5%	0.053	36%	0.358	C	S	.	.	H	α-helix	trans	-89.5	-25	-176.2	-158.6	72.7	0	0	0	112.5	R426 W427 E428 L433 A437 S438 I439 V442	R426-D430 WeakPolarHBondContact O-CB 3.45Å; R426-D430 PolarHBondContact O-N 2.66Å; W427-D430 PolarHBondContact O-N 3.2Å; E428-D430 VanDerWaalsContact C-N 3.31Å; E428-D430 PolarHBondContact O-N 2.56Å; D430-L433 WeakPolarHBondContact O-CB 2.81Å; D430-L433 PolarHBondContact O-N 2.82Å; D430-L433 WeakPolarHBondContact OD1-CD1 3.36Å; D430-A437 WeakPolarHBondContact OD2-CB 3.44Å; D430-S438 VanDerWaalsContact CG-N 3.3Å; D430-S438 VanDerWaalsContact OD1-CB 3.27Å; D430-S438 WeakPolarHBondContact OD1-CB 3.47Å; D430-S438 PolarHBondContact OD1-N 3.37Å; D430-S438 PolarHBondContact OD1-OG 2.87Å; D430-S438 PolarHBondContact OD2-N 2.7Å; D430-I439 HydrophobicContact CB-CD1 3.86Å; D430-I439 HydrophobicContact CB-CG1 4.18Å; D430-I439 WeakPolarHBondContact OD2-CB 3.16Å; D430-I439 PolarHBondContact OD2-N 3.27Å; D430-V442 HydrophobicContact CB-CG1 4.45Å
431	E	93.4	Very high	87.7	Confident	16 Å²	16	66.8 Å²	66.8	8%	0.075	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-54.4	-47	178.7	179.3	-172.5	-128.2	0	0	113.2	W427 L433 G434 V442 N446 W459 R462	W427-E431 PolarHBondContact O-N 3.13Å; E431-L433 PolarHBondContact O-N 3.09Å; E431-G434 PolarHBondContact O-N 2.77Å; E431-V442 VanDerWaalsContact CA-CG1 3.47Å; E431-V442 HydrophobicContact CB-CG1 4.06Å; E431-N446 PolarHBondContact O-ND2 3.02Å; E431-W459 HydrophobicContact CB-CZ3 4.32Å; E431-R462 VanDerWaalsContact OE1-CD 3.26Å; E431-R462 WeakPolarHBondContact OE1-CD 3.26Å; E431-R462 IonicContact OE1-CZ 3.66Å; E431-R462 IonicContact OE1-NE 3.77Å; E431-R462 PolarHBondContact OE1-NE 3.47Å; E431-R462 IonicContact OE1-NH2 3.48Å; E431-R462 IonicContact OE2-CZ 3.58Å; E431-R462 IonicContact OE2-NE 3.27Å; E431-R462 PolarHBondContact OE2-NE 3.15Å; E431-R462 IonicContact OE2-NH2 3.83Å; E431-R462 PolarHBondContact OE2-NH2 3.49Å
432	P	93.1	Very high	89.8	Confident	97 Å²	97	60.1 Å²	60.1	63%	0.63	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-62.3	-16.7	-178.9	-23.7	34.7	0	0	0	114.8	E428 G434	E428-P432 VanDerWaalsContact O-CD 3.25Å; E428-P432 WeakPolarHBondContact O-CD 3.04Å; P432-G434 PolarHBondContact O-N 3.4Å
433	L	91.8	Very high	91.8	Very high	52 Å²	52	55.6 Å²	55.6	27%	0.272	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-70.5	-10.8	178.4	-62.3	175.6	0	0	0	113.1	D430 E431 N435 R436 A437 M492	D430-L433 WeakPolarHBondContact O-CB 2.81Å; D430-L433 PolarHBondContact O-N 2.82Å; D430-L433 WeakPolarHBondContact OD1-CD1 3.36Å; E431-L433 PolarHBondContact O-N 3.09Å; L433-N435 PolarHBondContact O-N 2.96Å; L433-R436 HydrophobicContact CB-CB 4.29Å; L433-R436 WeakPolarHBondContact O-CA 3.41Å; L433-R436 WeakPolarHBondContact O-CB 3.06Å; L433-R436 PolarHBondContact O-N 3.33Å; L433-A437 HydrophobicContact CB-CB 4.4Å; L433-M492 HydrophobicContact CD1-CE 3.86Å; L433-M492 HydrophobicContact CD2-CE 3.74Å; L433-M492 HydrophobicContact CG-CE 4.48Å
434	G	92.4	Very high	93.2	Very high	26 Å²	26	51.2 Å²	51.2	27%	0.268	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	60.9	-123.7	176.3	0	0	0	0	0	112.2	E431 P432 R436 A437 N446	E431-G434 PolarHBondContact O-N 2.77Å; P432-G434 PolarHBondContact O-N 3.4Å; G434-R436 PolarHBondContact O-N 3.37Å; G434-A437 VanDerWaalsContact O-CB 3.24Å; G434-A437 WeakPolarHBondContact O-CB 3.45Å; G434-A437 PolarHBondContact O-N 2.59Å; G434-N446 WeakPolarHBondContact CA-ND2 3.25Å; G434-N446 PolarHBondContact N-ND2 3Å; G434-N446 PolarHBondContact O-ND2 3.35Å
435	N	92.7	Very high	93.9	Very high	111 Å²	111	48.4 Å²	48.4	59%	0.594	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-69.5	-11.6	175.7	63	-8.9	0	0	0	113.8	L433 L443 L447 N488	L433-N435 PolarHBondContact O-N 2.96Å; N435-L443 VanDerWaalsContact O-CD1 3.25Å; N435-L443 WeakPolarHBondContact O-CD1 3.26Å; N435-L447 HydrophobicContact CB-CD2 3.85Å; N435-N488 PolarHBondContact O-ND2 3.5Å
436	R	94	Very high	94.5	Very high	99 Å²	99	46 Å²	46	37%	0.374	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-93.4	2.8	174.7	-54.6	-179.2	66.9	-152.8	-3.6	113	L433 G434 S438 N488 M492 E495	L433-R436 HydrophobicContact CB-CB 4.29Å; L433-R436 WeakPolarHBondContact O-CA 3.41Å; L433-R436 WeakPolarHBondContact O-CB 3.06Å; L433-R436 PolarHBondContact O-N 3.33Å; G434-R436 PolarHBondContact O-N 3.37Å; R436-S438 PolarHBondContact O-N 2.78Å; R436-N488 VanDerWaalsContact C-ND2 3.3Å; R436-N488 WeakPolarHBondContact CA-ND2 3.21Å; R436-N488 PolarHBondContact O-ND2 3.07Å; R436-M492 PolarHBondContact NH2-SD 2.92Å; R436-M492 VanDerWaalsContact NH2-SD 3.36Å; R436-E495 IonicContact CZ-OE1 3.74Å; R436-E495 IonicContact CZ-OE2 3.09Å; R436-E495 IonicContact NH1-OE2 2.59Å; R436-E495 IonicContact NH2-OE1 2.79Å; R436-E495 PolarHBondContact NH2-OE1 3.09Å; R436-E495 IonicContact NH2-OE2 2.85Å; R436-E495 PolarHBondContact NH2-OE2 3.47Å
437	A	96.6	Very high	94.9	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.			trans	-50.7	133.3	176.9	0	0	0	0	0	111.4	D430 L433 G434 V442 L443 N488	D430-A437 WeakPolarHBondContact OD2-CB 3.44Å; L433-A437 HydrophobicContact CB-CB 4.4Å; G434-A437 VanDerWaalsContact O-CB 3.24Å; G434-A437 WeakPolarHBondContact O-CB 3.45Å; G434-A437 PolarHBondContact O-N 2.59Å; A437-V442 HydrophobicContact CB-CB 4.48Å; A437-V442 HydrophobicContact CB-CG1 4.14Å; A437-L443 HydrophobicContact CB-CB 3.91Å; A437-L443 HydrophobicContact CB-CD1 4.15Å; A437-N488 PolarHBondContact O-ND2 3.36Å
438	S	95.6	Very high	95	Very high	21 Å²	21	44 Å²	44	15%	0.147	23%	0.233	C	C	.	.	S	Bend	trans	-96	-8.2	-171.4	82.1	0	0	0	0	112.6	D430 R436 R489	D430-S438 VanDerWaalsContact CG-N 3.3Å; D430-S438 VanDerWaalsContact OD1-CB 3.27Å; D430-S438 WeakPolarHBondContact OD1-CB 3.47Å; D430-S438 PolarHBondContact OD1-N 3.37Å; D430-S438 PolarHBondContact OD1-OG 2.87Å; D430-S438 PolarHBondContact OD2-N 2.7Å; R436-S438 PolarHBondContact O-N 2.78Å; S438-R489 PolarHBondContact O-NH1 2.76Å
439	I	95.7	Very high	95.1	Very high	24 Å²	24	42.7 Å²	42.7	12%	0.123	23%	0.226	C	C	.	.	S	Bend	trans	-106.7	123.9	175.8	-58.8	176.6	0	0	0	109	R426 W427 D430 A441 V442 L443	R426-I439 HydrophobicContact CB-CD1 4.41Å; R426-I439 HydrophobicContact CG-CD1 3.95Å; R426-I439 WeakPolarHBondContact O-CD1 2.98Å; W427-I439 HydrophobicContact CG-CD1 4.34Å; D430-I439 HydrophobicContact CB-CD1 3.86Å; D430-I439 HydrophobicContact CB-CG1 4.18Å; D430-I439 WeakPolarHBondContact OD2-CB 3.16Å; D430-I439 PolarHBondContact OD2-N 3.27Å; I439-A441 VanDerWaalsContact C-N 3.32Å; I439-A441 PolarHBondContact O-N 2.75Å; I439-V442 HydrophobicContact CB-CB 4.24Å; I439-V442 HydrophobicContact CB-CG2 4.04Å; I439-V442 HydrophobicContact CG2-CG2 4.06Å; I439-V442 PolarHBondContact O-N 3.22Å; I439-V442 VanDerWaalsContact O-N 3.1Å; I439-L443 WeakPolarHBondContact O-CB 3.32Å; I439-L443 PolarHBondContact O-N 3.22Å
440	A	97.2	Very high	94.8	Very high	15 Å²	15	40.7 Å²	40.7	12%	0.124	23%	0.226	C	C	.	.	H	α-helix	trans	-58.6	-38.2	-171.2	0	0	0	0	0	114.3	Y444 W470 V482 A485	A440-Y444 WeakPolarHBondContact O-CB 3.34Å; A440-Y444 PolarHBondContact O-N 2.86Å; A440-W470 HydrophobicContact CB-CH2 3.86Å; A440-W470 HydrophobicContact CB-CZ2 4.14Å; A440-V482 HydrophobicContact CB-CB 4.47Å; A440-V482 HydrophobicContact CB-CG2 3.91Å; A440-A485 HydrophobicContact CB-CB 4.09Å
441	A	97	Very high	94.6	Very high	4 Å²	4	42 Å²	42	3%	0.033	23%	0.233	C	C	.	.	H	α-helix	trans	-66.2	-42	177.9	0	0	0	0	0	112.2	W427 I439 A445 W470	W427-A441 HydrophobicContact CH2-CB 3.48Å; W427-A441 VanDerWaalsContact CH2-CB 3.48Å; W427-A441 HydrophobicContact CZ2-CB 3.77Å; W427-A441 HydrophobicContact CZ3-CB 3.98Å; I439-A441 VanDerWaalsContact C-N 3.32Å; I439-A441 PolarHBondContact O-N 2.75Å; A441-A445 PolarHBondContact O-N 3.39Å; A441-A445 VanDerWaalsContact O-N 3.11Å; A441-W470 HydrophobicContact CB-CB 3.93Å; A441-W470 HydrophobicContact CB-CD2 3.8Å; A441-W470 HydrophobicContact CB-CE3 4.33Å; A441-W470 HydrophobicContact CB-CG 3.6Å
442	V	96.8	Very high	94.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-69.8	-45.7	177.7	-179	0	0	0	0	110.2	W427 D430 E431 A437 I439 Y444 A445 N446	W427-V442 HydrophobicContact CB-CG2 3.83Å; W427-V442 HydrophobicContact CD2-CG2 3.9Å; W427-V442 HydrophobicContact CE3-CG2 4.14Å; W427-V442 HydrophobicContact CG-CG2 3.77Å; D430-V442 HydrophobicContact CB-CG1 4.45Å; E431-V442 VanDerWaalsContact CA-CG1 3.47Å; E431-V442 HydrophobicContact CB-CG1 4.06Å; A437-V442 HydrophobicContact CB-CB 4.48Å; A437-V442 HydrophobicContact CB-CG1 4.14Å; I439-V442 HydrophobicContact CB-CB 4.24Å; I439-V442 HydrophobicContact CB-CG2 4.04Å; I439-V442 HydrophobicContact CG2-CG2 4.06Å; I439-V442 PolarHBondContact O-N 3.22Å; I439-V442 VanDerWaalsContact O-N 3.1Å; V442-Y444 VanDerWaalsContact C-N 3.31Å; V442-Y444 PolarHBondContact O-N 2.78Å; V442-A445 PolarHBondContact O-N 2.71Å; V442-A445 VanDerWaalsContact O-N 3.13Å; V442-N446 WeakPolarHBondContact O-CB 3.28Å; V442-N446 PolarHBondContact O-N 2.84Å
443	L	97.6	Very high	94.5	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-56.2	-44.1	174.1	-179.4	62.6	0	0	0	112	N435 A437 I439 L447 M484 A485	N435-L443 VanDerWaalsContact O-CD1 3.25Å; N435-L443 WeakPolarHBondContact O-CD1 3.26Å; A437-L443 HydrophobicContact CB-CB 3.91Å; A437-L443 HydrophobicContact CB-CD1 4.15Å; I439-L443 WeakPolarHBondContact O-CB 3.32Å; I439-L443 PolarHBondContact O-N 3.22Å; L443-L447 HydrophobicContact CD1-CD1 3.83Å; L443-L447 HydrophobicContact CD1-CG 4.09Å; L443-L447 HydrophobicContact CG-CD1 3.95Å; L443-L447 WeakPolarHBondContact O-CB 3.18Å; L443-L447 VanDerWaalsContact O-CG 3.25Å; L443-L447 WeakPolarHBondContact O-CG 3.5Å; L443-L447 PolarHBondContact O-N 3.08Å; L443-M484 HydrophobicContact CD2-CB 3.71Å; L443-A485 HydrophobicContact CD2-CB 4.03Å
444	Y	97.5	Very high	94.5	Very high	24 Å²	24	49.4 Å²	49.4	9%	0.094	25%	0.248	C	C	.	.	H	α-helix	trans	-60.6	-46.9	175.3	171.4	-111	0	0	0	112.1	A440 V442 L447 N448 F449 L469 W470 L473 Y481	A440-Y444 WeakPolarHBondContact O-CB 3.34Å; A440-Y444 PolarHBondContact O-N 2.86Å; V442-Y444 VanDerWaalsContact C-N 3.31Å; V442-Y444 PolarHBondContact O-N 2.78Å; Y444-L447 PolarHBondContact O-N 3.06Å; Y444-N448 WeakPolarHBondContact CD2-ND2 3.44Å; Y444-N448 HydrophobicContact CE2-CB 4.15Å; Y444-N448 WeakPolarHBondContact CE2-ND2 3.49Å; Y444-N448 PolarHBondContact O-N 3.15Å; Y444-N448 VanDerWaalsContact O-N 3.13Å; Y444-N448 PolarHBondContact O-ND2 3.33Å; Y444-F449 AromaticContact CE1-CE2 3.92Å; Y444-F449 HydrophobicContact CE1-CE2 3.92Å; Y444-F449 AromaticContact CZ-CE2 3.89Å; Y444-L469 HydrophobicContact CE1-CB 4.09Å; Y444-W470 HydrophobicContact CD1-CE3 4.05Å; Y444-W470 HydrophobicContact CG-CE3 4.09Å; Y444-W470 HydrophobicContact CG-CZ3 4.3Å; Y444-L473 HydrophobicContact CD1-CD1 3.45Å; Y444-L473 VanDerWaalsContact CD1-CD1 3.45Å; Y444-L473 HydrophobicContact CD2-CD1 3.61Å; Y444-L473 HydrophobicContact CE1-CD1 3.26Å; Y444-L473 HydrophobicContact CE1-CG 4.05Å; Y444-L473 HydrophobicContact CE2-CD1 3.47Å; Y444-L473 VanDerWaalsContact CE2-CD1 3.47Å; Y444-L473 HydrophobicContact CE2-CD2 4.08Å; Y444-L473 HydrophobicContact CE2-CG 4.06Å; Y444-L473 HydrophobicContact CG-CD1 3.6Å; Y444-Y481 HydrophobicContact CD2-CD1 4.25Å; Y444-Y481 AromaticContact CD2-CD2 3.93Å; Y444-Y481 HydrophobicContact CD2-CD2 3.93Å; Y444-Y481 AromaticContact CD2-CE1 3.86Å; Y444-Y481 HydrophobicContact CD2-CE1 3.86Å; Y444-Y481 AromaticContact CD2-CE2 3.5Å; Y444-Y481 HydrophobicContact CD2-CE2 3.5Å; Y444-Y481 VanDerWaalsContact CD2-CE2 3.5Å; Y444-Y481 HydrophobicContact CD2-CG 4.28Å; Y444-Y481 AromaticContact CD2-CZ 3.47Å; Y444-Y481 VanDerWaalsContact CD2-CZ 3.47Å; Y444-Y481 AromaticContact CE2-CE2 3.98Å; Y444-Y481 HydrophobicContact CE2-CE2 3.98Å; Y444-Y481 AromaticContact CE2-CZ 3.99Å; Y444-Y481 HydrophobicContact CG-CE2 4.48Å
445	A	96.8	Very high	94.5	Very high	2 Å²	2	56.1 Å²	56.1	2%	0.017	27%	0.265	C	S	.	.	H	α-helix	trans	-63.4	-46	178.8	0	0	0	0	0	112.1	A441 V442 L447 N448 F449 L452 I466	A441-A445 PolarHBondContact O-N 3.39Å; A441-A445 VanDerWaalsContact O-N 3.11Å; V442-A445 PolarHBondContact O-N 2.71Å; V442-A445 VanDerWaalsContact O-N 3.13Å; A445-L447 VanDerWaalsContact C-N 3.32Å; A445-L447 PolarHBondContact O-N 2.95Å; A445-N448 PolarHBondContact O-N 2.78Å; A445-F449 CarbonylContact O-C 3.56Å; A445-F449 WeakPolarHBondContact O-CA 3.31Å; A445-F449 PolarHBondContact O-N 2.98Å; A445-L452 HydrophobicContact CB-CD2 4.44Å; A445-I466 HydrophobicContact CB-CB 4.32Å; A445-I466 HydrophobicContact CB-CD1 4.48Å; A445-I466 HydrophobicContact CB-CG1 3.84Å; A445-I466 HydrophobicContact CB-CG2 3.91Å
446	N	94.9	Very high	94.6	Very high	36 Å²	36	54.3 Å²	54.3	19%	0.193	25%	0.251	C	S	.	.	H	α-helix	trans	-59.9	-39.3	178.6	-75.8	-8.1	0	0	0	112.8	E431 G434 V442	E431-N446 PolarHBondContact O-ND2 3.02Å; G434-N446 WeakPolarHBondContact CA-ND2 3.25Å; G434-N446 PolarHBondContact N-ND2 3Å; G434-N446 PolarHBondContact O-ND2 3.35Å; V442-N446 WeakPolarHBondContact O-CB 3.28Å; V442-N446 PolarHBondContact O-N 2.84Å
447	L	95.3	Very high	94.5	Very high	73 Å²	73	54.3 Å²	54.3	38%	0.382	26%	0.264	S	S	.	.	H	α-helix	trans	-77.9	-33.5	-177.8	-71.2	175.5	0	0	0	113.7	N435 L443 Y444 A445 Y481 M484	N435-L447 HydrophobicContact CB-CD2 3.85Å; L443-L447 HydrophobicContact CD1-CD1 3.83Å; L443-L447 HydrophobicContact CD1-CG 4.09Å; L443-L447 HydrophobicContact CG-CD1 3.95Å; L443-L447 WeakPolarHBondContact O-CB 3.18Å; L443-L447 VanDerWaalsContact O-CG 3.25Å; L443-L447 WeakPolarHBondContact O-CG 3.5Å; L443-L447 PolarHBondContact O-N 3.08Å; Y444-L447 PolarHBondContact O-N 3.06Å; A445-L447 VanDerWaalsContact C-N 3.32Å; A445-L447 PolarHBondContact O-N 2.95Å; L447-Y481 HydrophobicContact CD1-CD1 4.37Å; L447-Y481 HydrophobicContact CD1-CE1 4.13Å; L447-M484 HydrophobicContact CD1-CE 3.9Å
448	N	95.2	Very high	94.2	Very high	69 Å²	69	58.3 Å²	58.3	37%	0.369	29%	0.288	S	S	.	.	H	α-helix	trans	-107.6	-17.6	-170.7	-61.3	-92.2	0	0	0	113.6	Y444 A445 Y481	Y444-N448 WeakPolarHBondContact CD2-ND2 3.44Å; Y444-N448 HydrophobicContact CE2-CB 4.15Å; Y444-N448 WeakPolarHBondContact CE2-ND2 3.49Å; Y444-N448 PolarHBondContact O-N 3.15Å; Y444-N448 VanDerWaalsContact O-N 3.13Å; Y444-N448 PolarHBondContact O-ND2 3.33Å; A445-N448 PolarHBondContact O-N 2.78Å; N448-Y481 PolarHBondContact ND2-OH 3.48Å
449	F	95.9	Very high	94.1	Very high	66 Å²	66	58.6 Å²	58.6	29%	0.289	29%	0.286	S	S	.	.			trans	-135.3	63.2	-177.2	-54.3	-84.4	0	0	0	110.6	Y444 A445 D451 L452 L469	Y444-F449 AromaticContact CE1-CE2 3.92Å; Y444-F449 HydrophobicContact CE1-CE2 3.92Å; Y444-F449 AromaticContact CZ-CE2 3.89Å; A445-F449 CarbonylContact O-C 3.56Å; A445-F449 WeakPolarHBondContact O-CA 3.31Å; A445-F449 PolarHBondContact O-N 2.98Å; F449-D451 PolarHBondContact O-N 3.34Å; F449-L452 HydrophobicContact CB-CB 4.2Å; F449-L452 HydrophobicContact CB-CD1 4.32Å; F449-L452 WeakPolarHBondContact O-CB 3.47Å; F449-L452 PolarHBondContact O-N 3.17Å; F449-L452 VanDerWaalsContact O-N 3.1Å; F449-L469 HydrophobicContact CB-CD1 4.43Å; F449-L469 HydrophobicContact CD1-CD1 4.32Å; F449-L469 HydrophobicContact CD1-CD2 4.47Å; F449-L469 HydrophobicContact CD2-CD1 3.56Å; F449-L469 HydrophobicContact CD2-CD2 4.28Å; F449-L469 HydrophobicContact CD2-CG 4.41Å; F449-L469 HydrophobicContact CE1-CD2 3.91Å; F449-L469 HydrophobicContact CE2-CB 4.38Å; F449-L469 HydrophobicContact CE2-CD1 3.81Å; F449-L469 HydrophobicContact CE2-CD2 3.68Å; F449-L469 HydrophobicContact CE2-CG 4.16Å; F449-L469 HydrophobicContact CG-CD1 3.84Å; F449-L469 HydrophobicContact CZ-CD1 4.3Å; F449-L469 HydrophobicContact CZ-CD2 3.48Å; F449-L469 VanDerWaalsContact CZ-CD2 3.48Å; F449-L469 HydrophobicContact CZ-CG 4.42Å
450	P	87.6	Confident	93.9	Very high	109 Å²	109	62.5 Å²	62.5	71%	0.708	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-23.6	-174.2	26.1	-35.1	0	0	0	113.6	L452	P450-L452 VanDerWaalsContact C-N 3.32Å
451	D	90.5	Very high	93.7	Very high	38 Å²	38	65.4 Å²	65.4	20%	0.203	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	5	178.7	73.5	-29.4	0	0	0	114.1	F449 K453 R454 R455	F449-D451 PolarHBondContact O-N 3.34Å; D451-K453 VanDerWaalsContact C-N 3.27Å; D451-K453 PolarHBondContact O-N 2.62Å; D451-R454 WeakPolarHBondContact O-CB 3.48Å; D451-R454 PolarHBondContact O-N 2.89Å; D451-R454 VanDerWaalsContact O-N 3.08Å; D451-R454 IonicContact OD2-NH2 2.58Å; D451-R454 PolarHBondContact OD2-NH2 3.4Å; D451-R455 PolarHBondContact O-N 3.34Å; D451-R455 IonicContact OD1-NE 3.46Å; D451-R455 IonicContact OD1-NH2 3.92Å; D451-R455 IonicContact OD2-CZ 3.15Å; D451-R455 IonicContact OD2-NE 2.7Å; D451-R455 PolarHBondContact OD2-NE 3.03Å; D451-R455 IonicContact OD2-NH2 3.84Å; D451-R455 PolarHBondContact OD2-NH2 3.05Å
452	L	92.7	Very high	93.6	Very high	13 Å²	13	65.9 Å²	65.9	7%	0.068	32%	0.321	C	S	.	.	H	α-helix	trans	-59.1	-38.4	-178.9	-159.6	74.8	0	0	0	112.2	A445 F449 P450 R454 R455 Y456 R462 R465 I466 L469	A445-L452 HydrophobicContact CB-CD2 4.44Å; F449-L452 HydrophobicContact CB-CB 4.2Å; F449-L452 HydrophobicContact CB-CD1 4.32Å; F449-L452 WeakPolarHBondContact O-CB 3.47Å; F449-L452 PolarHBondContact O-N 3.17Å; F449-L452 VanDerWaalsContact O-N 3.1Å; P450-L452 VanDerWaalsContact C-N 3.32Å; L452-R454 VanDerWaalsContact C-N 3.32Å; L452-R454 PolarHBondContact O-N 3.29Å; L452-R455 PolarHBondContact O-N 3.44Å; L452-Y456 HydrophobicContact CD1-CD2 3.94Å; L452-Y456 HydrophobicContact CD1-CE2 4.06Å; L452-Y456 HydrophobicContact CG-CD2 4.26Å; L452-Y456 PolarHBondContact O-N 3.4Å; L452-R462 HydrophobicContact CD2-CG 4.1Å; L452-R462 HydrophobicContact CG-CG 4.24Å; L452-R465 HydrophobicContact CD1-CB 4.47Å; L452-R465 HydrophobicContact CD1-CG 3.82Å; L452-I466 HydrophobicContact CD2-CD1 4.42Å; L452-I466 HydrophobicContact CD2-CG1 3.6Å; L452-L469 HydrophobicContact CD1-CD1 4.15Å; L452-L469 HydrophobicContact CD2-CD1 4.25Å
453	K	90.7	Very high	93.5	Very high	120 Å²	120	66.2 Å²	66.2	52%	0.522	32%	0.323	S	S	.	.	H	α-helix	trans	-65.9	-32.2	177	-173.6	163.1	-175.2	174.4	0	113.2	D451 Y456 P457	D451-K453 VanDerWaalsContact C-N 3.27Å; D451-K453 PolarHBondContact O-N 2.62Å; K453-Y456 CarbonylContact O-C 3.4Å; K453-P457 WeakPolarHBondContact O-CA 3.45Å
454	R	91.5	Very high	93.4	Very high	188 Å²	188	72.6 Å²	72.6	71%	0.709	35%	0.351	S	S	*	.	H	α-helix	trans	-75.4	-42.8	174.5	-175.4	-175	64	-165.2	-2.8	111.6	D451 L452	D451-R454 WeakPolarHBondContact O-CB 3.48Å; D451-R454 PolarHBondContact O-N 2.89Å; D451-R454 VanDerWaalsContact O-N 3.08Å; D451-R454 IonicContact OD2-NH2 2.58Å; D451-R454 PolarHBondContact OD2-NH2 3.4Å; L452-R454 VanDerWaalsContact C-N 3.32Å; L452-R454 PolarHBondContact O-N 3.29Å
455	R	92.9	Very high	93.2	Very high	166 Å²	166	76.2 Å²	76.2	63%	0.626	37%	0.365	S	S	*	.	H	α-helix	trans	-72.3	-31.7	-180	-67.5	-170.1	-161.8	-172.3	6.2	113.4	D451 L452	D451-R455 PolarHBondContact O-N 3.34Å; D451-R455 IonicContact OD1-NE 3.46Å; D451-R455 IonicContact OD1-NH2 3.92Å; D451-R455 IonicContact OD2-CZ 3.15Å; D451-R455 IonicContact OD2-NE 2.7Å; D451-R455 PolarHBondContact OD2-NE 3.03Å; D451-R455 IonicContact OD2-NH2 3.84Å; D451-R455 PolarHBondContact OD2-NH2 3.05Å; L452-R455 PolarHBondContact O-N 3.44Å
456	Y	94.4	Very high	93.2	Very high	74 Å²	74	76.1 Å²	76.1	29%	0.29	36%	0.364	S	S	.	.			trans	-127.7	81.8	179.9	-57.9	-87	0	0	0	108.8	L452 K453 V458 D461 R462 R465	L452-Y456 HydrophobicContact CD1-CD2 3.94Å; L452-Y456 HydrophobicContact CD1-CE2 4.06Å; L452-Y456 HydrophobicContact CG-CD2 4.26Å; L452-Y456 PolarHBondContact O-N 3.4Å; K453-Y456 CarbonylContact O-C 3.4Å; Y456-V458 VanDerWaalsContact C-N 3.31Å; Y456-V458 PolarHBondContact O-N 3.18Å; Y456-D461 HydrophobicContact CD1-CB 4.43Å; Y456-R462 WeakPolarHBondContact O-CD 3.2Å; Y456-R462 PolarHBondContact O-NH1 3.19Å; Y456-R465 HydrophobicContact CD2-CG 4.41Å; Y456-R465 HydrophobicContact CE2-CG 3.99Å
457	P	91.6	Very high	93.2	Very high	99 Å²	99	75.2 Å²	75.2	64%	0.643	36%	0.361	S	S	*	.			trans	-64.7	-36.2	-175.8	-21	32.6	0	0	0	112.7	K453 R462	K453-P457 WeakPolarHBondContact O-CA 3.45Å; P457-R462 PolarHBondContact O-NH1 3.48Å
458	V	91.5	Very high	93.2	Very high	84 Å²	84	78 Å²	78	51%	0.509	37%	0.37	S	S	.	.	S	Bend	trans	-77.1	123.1	-179.8	-177	0	0	0	0	110.3	Y456 N460 D461 R462	Y456-V458 VanDerWaalsContact C-N 3.31Å; Y456-V458 PolarHBondContact O-N 3.18Å; V458-N460 VanDerWaalsContact C-N 3.35Å; V458-N460 HydrophobicContact CG1-CB 4.45Å; V458-N460 PolarHBondContact O-N 2.65Å; V458-D461 PolarHBondContact O-N 3.32Å; V458-D461 VanDerWaalsContact O-N 3.17Å; V458-R462 PolarHBondContact O-N 2.75Å
459	W	92.6	Very high	93.2	Very high	26 Å²	26	75.5 Å²	75.5	10%	0.098	36%	0.357	C	S	.	.	H	α-helix	trans	-56.8	-43.6	-175.8	171.5	-121.9	0	0	0	113.3	W427 E428 E431 D461 R462 V463 I466	W427-W459 HydrophobicContact CB-CH2 3.97Å; W427-W459 HydrophobicContact CB-CZ2 3.91Å; E428-W459 HydrophobicContact CB-CD2 4.21Å; E428-W459 VanDerWaalsContact CB-CE2 3.49Å; E428-W459 HydrophobicContact CB-CH2 4.27Å; E428-W459 HydrophobicContact CB-CZ2 3.55Å; E428-W459 HydrophobicContact CG-CD2 3.91Å; E428-W459 HydrophobicContact CG-CG 4.08Å; E428-W459 HydrophobicContact CG-CZ2 4.18Å; E428-W459 PolarHBondContact OE2-NE1 3.2Å; E431-W459 HydrophobicContact CB-CZ3 4.32Å; W459-D461 PolarHBondContact O-N 3.39Å; W459-D461 VanDerWaalsContact O-N 3.16Å; W459-R462 HydrophobicContact CE3-CB 4.33Å; W459-R462 CarbonylContact O-C 3.59Å; W459-R462 PolarHBondContact O-N 3.17Å; W459-R462 VanDerWaalsContact O-N 3.07Å; W459-V463 HydrophobicContact CD2-CB 4.12Å; W459-V463 HydrophobicContact CE3-CB 4.35Å; W459-V463 HydrophobicContact CH2-CB 3.95Å; W459-V463 HydrophobicContact CH2-CG2 3.8Å; W459-V463 HydrophobicContact CZ2-CB 3.66Å; W459-V463 HydrophobicContact CZ2-CG2 3.45Å; W459-V463 VanDerWaalsContact CZ2-CG2 3.45Å; W459-V463 HydrophobicContact CZ3-CB 4.29Å; W459-V463 WeakPolarHBondContact O-CB 3.35Å; W459-V463 WeakPolarHBondContact O-CG1 3.49Å; W459-V463 PolarHBondContact O-N 3.07Å; W459-I466 HydrophobicContact CH2-CD1 4.18Å; W459-I466 HydrophobicContact CZ3-CD1 3.94Å
460	N	91.4	Very high	93.2	Very high	107 Å²	107	74.2 Å²	74.2	57%	0.572	35%	0.35	S	S	*	.	H	α-helix	trans	-58.5	-30.4	-179.6	-77.8	-41	0	0	0	113.7	V458 K464	V458-N460 VanDerWaalsContact C-N 3.35Å; V458-N460 HydrophobicContact CG1-CB 4.45Å; V458-N460 PolarHBondContact O-N 2.65Å; N460-K464 WeakPolarHBondContact O-CD 3.48Å; N460-K464 WeakPolarHBondContact O-CE 3.19Å; N460-K464 VanDerWaalsContact O-CG 3.25Å; N460-K464 WeakPolarHBondContact O-CG 3.28Å
461	D	93	Very high	93.5	Very high	75 Å²	75	76.7 Å²	76.7	40%	0.401	35%	0.345	S	S	.	.	H	α-helix	trans	-86	-37.5	175.3	-63.5	-34.3	0	0	0	111.4	Y456 V458 W459 K464 R465	Y456-D461 HydrophobicContact CD1-CB 4.43Å; V458-D461 PolarHBondContact O-N 3.32Å; V458-D461 VanDerWaalsContact O-N 3.17Å; W459-D461 PolarHBondContact O-N 3.39Å; W459-D461 VanDerWaalsContact O-N 3.16Å; D461-K464 PolarHBondContact O-N 3.21Å; D461-K464 IonicContact OD1-NZ 3.13Å; D461-R465 PolarHBondContact O-N 3.02Å; D461-R465 VanDerWaalsContact O-N 3.11Å
462	R	95.1	Very high	93.7	Very high	15 Å²	15	79 Å²	79	6%	0.057	36%	0.364	C	S	.	.	H	α-helix	trans	-61.9	-45.1	176.2	-169.9	155.8	69.8	-117.8	1.1	112.1	E431 L452 Y456 P457 V458 W459 K464 R465 I466	E431-R462 VanDerWaalsContact OE1-CD 3.26Å; E431-R462 WeakPolarHBondContact OE1-CD 3.26Å; E431-R462 IonicContact OE1-CZ 3.66Å; E431-R462 IonicContact OE1-NE 3.77Å; E431-R462 PolarHBondContact OE1-NE 3.47Å; E431-R462 IonicContact OE1-NH2 3.48Å; E431-R462 IonicContact OE2-CZ 3.58Å; E431-R462 IonicContact OE2-NE 3.27Å; E431-R462 PolarHBondContact OE2-NE 3.15Å; E431-R462 IonicContact OE2-NH2 3.83Å; E431-R462 PolarHBondContact OE2-NH2 3.49Å; L452-R462 HydrophobicContact CD2-CG 4.1Å; L452-R462 HydrophobicContact CG-CG 4.24Å; Y456-R462 WeakPolarHBondContact O-CD 3.2Å; Y456-R462 PolarHBondContact O-NH1 3.19Å; P457-R462 PolarHBondContact O-NH1 3.48Å; V458-R462 PolarHBondContact O-N 2.75Å; W459-R462 HydrophobicContact CE3-CB 4.33Å; W459-R462 CarbonylContact O-C 3.59Å; W459-R462 PolarHBondContact O-N 3.17Å; W459-R462 VanDerWaalsContact O-N 3.07Å; R462-K464 PolarHBondContact O-N 2.99Å; R462-R465 CarbonylContact O-C 3.33Å; R462-R465 WeakPolarHBondContact O-CA 3.49Å; R462-R465 WeakPolarHBondContact O-CB 3.3Å; R462-R465 PolarHBondContact O-N 3.25Å; R462-I466 HydrophobicContact CG-CD1 4.29Å; R462-I466 WeakPolarHBondContact O-CG1 3.19Å; R462-I466 PolarHBondContact O-N 3.35Å
463	V	95.4	Very high	93.7	Very high	6 Å²	6	79.6 Å²	79.6	4%	0.036	37%	0.367	C	S	.	.	H	α-helix	trans	-66	-37.8	-179.5	75.1	0	0	0	0	112.2	L424 W427 W459 R465 I466 A467	L424-V463 HydrophobicContact CD2-CB 4.29Å; L424-V463 HydrophobicContact CD2-CG1 3.97Å; L424-V463 HydrophobicContact CD2-CG2 3.32Å; W427-V463 HydrophobicContact CE3-CG2 4.02Å; W459-V463 HydrophobicContact CD2-CB 4.12Å; W459-V463 HydrophobicContact CE3-CB 4.35Å; W459-V463 HydrophobicContact CH2-CB 3.95Å; W459-V463 HydrophobicContact CH2-CG2 3.8Å; W459-V463 HydrophobicContact CZ2-CB 3.66Å; W459-V463 HydrophobicContact CZ2-CG2 3.45Å; W459-V463 VanDerWaalsContact CZ2-CG2 3.45Å; W459-V463 HydrophobicContact CZ3-CB 4.29Å; W459-V463 WeakPolarHBondContact O-CB 3.35Å; W459-V463 WeakPolarHBondContact O-CG1 3.49Å; W459-V463 PolarHBondContact O-N 3.07Å; V463-R465 PolarHBondContact O-N 3.02Å; V463-I466 PolarHBondContact O-N 2.87Å; V463-A467 WeakPolarHBondContact O-CB 3.46Å; V463-A467 PolarHBondContact O-N 3.32Å
464	K	94.1	Very high	93.8	Very high	135 Å²	135	82.1 Å²	82.1	59%	0.587	38%	0.378	S	S	*	.	H	α-helix	trans	-59.3	-39.3	170.5	-70.2	169.6	-167	163.9	0	110.7	N460 D461 R462 K468	N460-K464 WeakPolarHBondContact O-CD 3.48Å; N460-K464 WeakPolarHBondContact O-CE 3.19Å; N460-K464 VanDerWaalsContact O-CG 3.25Å; N460-K464 WeakPolarHBondContact O-CG 3.28Å; D461-K464 PolarHBondContact O-N 3.21Å; D461-K464 IonicContact OD1-NZ 3.13Å; R462-K464 PolarHBondContact O-N 2.99Å; K464-K468 WeakPolarHBondContact O-CB 3.43Å; K464-K468 PolarHBondContact O-N 2.85Å
465	R	95	Very high	93.5	Very high	100 Å²	100	80.2 Å²	80.2	38%	0.377	38%	0.377	S	S	.	.	H	α-helix	trans	-69.9	-43.9	178	-160.9	68.1	-170.7	-162.6	2.2	112.5	L452 Y456 D461 R462 V463 A467 K468 L469	L452-R465 HydrophobicContact CD1-CB 4.47Å; L452-R465 HydrophobicContact CD1-CG 3.82Å; Y456-R465 HydrophobicContact CD2-CG 4.41Å; Y456-R465 HydrophobicContact CE2-CG 3.99Å; D461-R465 PolarHBondContact O-N 3.02Å; D461-R465 VanDerWaalsContact O-N 3.11Å; R462-R465 CarbonylContact O-C 3.33Å; R462-R465 WeakPolarHBondContact O-CA 3.49Å; R462-R465 WeakPolarHBondContact O-CB 3.3Å; R462-R465 PolarHBondContact O-N 3.25Å; V463-R465 PolarHBondContact O-N 3.02Å; R465-A467 VanDerWaalsContact C-N 3.32Å; R465-A467 PolarHBondContact O-N 3.16Å; R465-K468 PolarHBondContact O-N 3.48Å; R465-L469 HydrophobicContact CG-CD1 4.41Å; R465-L469 WeakPolarHBondContact O-CG 2.97Å; R465-L469 PolarHBondContact O-N 3.22Å
466	I	96.4	Very high	93.1	Very high	0 Å²	0	78.7 Å²	78.7	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-55.9	-48.3	173.1	-65	171.4	0	0	0	110.1	W427 A445 L452 W459 R462 V463 K468 L469 W470	W427-I466 HydrophobicContact CE3-CG2 3.86Å; W427-I466 HydrophobicContact CZ3-CB 4.36Å; W427-I466 HydrophobicContact CZ3-CG2 3.65Å; A445-I466 HydrophobicContact CB-CB 4.32Å; A445-I466 HydrophobicContact CB-CD1 4.48Å; A445-I466 HydrophobicContact CB-CG1 3.84Å; A445-I466 HydrophobicContact CB-CG2 3.91Å; L452-I466 HydrophobicContact CD2-CD1 4.42Å; L452-I466 HydrophobicContact CD2-CG1 3.6Å; W459-I466 HydrophobicContact CH2-CD1 4.18Å; W459-I466 HydrophobicContact CZ3-CD1 3.94Å; R462-I466 HydrophobicContact CG-CD1 4.29Å; R462-I466 WeakPolarHBondContact O-CG1 3.19Å; R462-I466 PolarHBondContact O-N 3.35Å; V463-I466 PolarHBondContact O-N 2.87Å; I466-K468 VanDerWaalsContact C-N 3.33Å; I466-K468 PolarHBondContact O-N 3.47Å; I466-L469 PolarHBondContact O-N 3.15Å; I466-W470 PolarHBondContact O-N 3.48Å
467	A	95.5	Very high	92.9	Very high	16 Å²	16	76.9 Å²	76.9	13%	0.132	38%	0.382	C	S	.	.	H	α-helix	trans	-62.4	-38.2	179.3	0	0	0	0	0	112.5	W427 V463 R465 R471	W427-A467 HydrophobicContact CZ3-CB 4.18Å; V463-A467 WeakPolarHBondContact O-CB 3.46Å; V463-A467 PolarHBondContact O-N 3.32Å; R465-A467 VanDerWaalsContact C-N 3.32Å; R465-A467 PolarHBondContact O-N 3.16Å; A467-R471 WeakPolarHBondContact O-CB 3.17Å; A467-R471 WeakPolarHBondContact O-CG 3.17Å; A467-R471 PolarHBondContact O-N 2.54Å
468	K	94.4	Very high	93.1	Very high	131 Å²	131	75.4 Å²	75.4	57%	0.57	36%	0.363	S	S	*	.	H	α-helix	trans	-67.6	-44.2	176.2	-166.9	173	-175.9	173.6	0	112	K464 R465 I466 R471 S472	K464-K468 WeakPolarHBondContact O-CB 3.43Å; K464-K468 PolarHBondContact O-N 2.85Å; R465-K468 PolarHBondContact O-N 3.48Å; I466-K468 VanDerWaalsContact C-N 3.33Å; I466-K468 PolarHBondContact O-N 3.47Å; K468-R471 PolarHBondContact O-N 2.92Å; K468-S472 PolarHBondContact O-N 2.68Å
469	L	95.5	Very high	93.1	Very high	17 Å²	17	76.5 Å²	76.5	9%	0.089	36%	0.363	C	S	.	.	H	α-helix	trans	-60.1	-46.7	176	-72.3	170.2	0	0	0	111.3	Y444 F449 L452 R465 I466 R471 S472	Y444-L469 HydrophobicContact CE1-CB 4.09Å; F449-L469 HydrophobicContact CB-CD1 4.43Å; F449-L469 HydrophobicContact CD1-CD1 4.32Å; F449-L469 HydrophobicContact CD1-CD2 4.47Å; F449-L469 HydrophobicContact CD2-CD1 3.56Å; F449-L469 HydrophobicContact CD2-CD2 4.28Å; F449-L469 HydrophobicContact CD2-CG 4.41Å; F449-L469 HydrophobicContact CE1-CD2 3.91Å; F449-L469 HydrophobicContact CE2-CB 4.38Å; F449-L469 HydrophobicContact CE2-CD1 3.81Å; F449-L469 HydrophobicContact CE2-CD2 3.68Å; F449-L469 HydrophobicContact CE2-CG 4.16Å; F449-L469 HydrophobicContact CG-CD1 3.84Å; F449-L469 HydrophobicContact CZ-CD1 4.3Å; F449-L469 HydrophobicContact CZ-CD2 3.48Å; F449-L469 VanDerWaalsContact CZ-CD2 3.48Å; F449-L469 HydrophobicContact CZ-CG 4.42Å; L452-L469 HydrophobicContact CD1-CD1 4.15Å; L452-L469 HydrophobicContact CD2-CD1 4.25Å; R465-L469 HydrophobicContact CG-CD1 4.41Å; R465-L469 WeakPolarHBondContact O-CG 2.97Å; R465-L469 PolarHBondContact O-N 3.22Å; I466-L469 PolarHBondContact O-N 3.15Å; L469-R471 VanDerWaalsContact C-N 3.33Å; L469-R471 PolarHBondContact O-N 3.17Å; L469-S472 PolarHBondContact O-N 3.41Å; L469-S472 VanDerWaalsContact O-N 3.13Å; L469-S472 PolarHBondContact O-OG 3.15Å
470	W	96.2	Very high	93.1	Very high	39 Å²	39	84.6 Å²	84.6	15%	0.148	39%	0.394	C	S	.	.	H	α-helix	trans	-61	-41.6	176.1	-176.4	-118.2	0	0	0	112.5	A440 A441 Y444 I466 S472 L473 R478 Y481 V482	A440-W470 HydrophobicContact CB-CH2 3.86Å; A440-W470 HydrophobicContact CB-CZ2 4.14Å; A441-W470 HydrophobicContact CB-CB 3.93Å; A441-W470 HydrophobicContact CB-CD2 3.8Å; A441-W470 HydrophobicContact CB-CE3 4.33Å; A441-W470 HydrophobicContact CB-CG 3.6Å; Y444-W470 HydrophobicContact CD1-CE3 4.05Å; Y444-W470 HydrophobicContact CG-CE3 4.09Å; Y444-W470 HydrophobicContact CG-CZ3 4.3Å; I466-W470 PolarHBondContact O-N 3.48Å; W470-S472 VanDerWaalsContact C-N 3.28Å; W470-S472 PolarHBondContact O-N 2.84Å; W470-L473 HydrophobicContact CE3-CD1 3.63Å; W470-L473 HydrophobicContact CZ3-CD1 3.85Å; W470-L473 PolarHBondContact O-N 3.29Å; W470-R478 HydrophobicContact CD2-CG 4.47Å; W470-R478 HydrophobicContact CE3-CG 4.37Å; W470-R478 HydrophobicContact CH2-CB 3.5Å; W470-R478 HydrophobicContact CH2-CG 3.71Å; W470-R478 HydrophobicContact CZ2-CB 3.75Å; W470-R478 HydrophobicContact CZ2-CG 3.8Å; W470-R478 HydrophobicContact CZ3-CB 4.18Å; W470-R478 HydrophobicContact CZ3-CG 4Å; W470-R478 VanDerWaalsContact O-CZ 3.3Å; W470-R478 PolarHBondContact O-NE 3.38Å; W470-R478 PolarHBondContact O-NH2 2.87Å; W470-Y481 HydrophobicContact CZ3-CD2 4.34Å; W470-Y481 HydrophobicContact CZ3-CG 4.46Å; W470-V482 HydrophobicContact CH2-CG2 4.3Å; W470-V482 HydrophobicContact CZ2-CG2 4.33Å
471	R	94.2	Very high	93.3	Very high	162 Å²	162	81.6 Å²	81.6	61%	0.611	38%	0.375	S	S	*	.	H	α-helix	trans	-66.1	-27.5	176.1	-75.6	-170.9	-62.9	-98.8	0.2	113.5	A467 K468 L469 L473 R478	A467-R471 WeakPolarHBondContact O-CB 3.17Å; A467-R471 WeakPolarHBondContact O-CG 3.17Å; A467-R471 PolarHBondContact O-N 2.54Å; K468-R471 PolarHBondContact O-N 2.92Å; L469-R471 VanDerWaalsContact C-N 3.33Å; L469-R471 PolarHBondContact O-N 3.17Å; R471-L473 VanDerWaalsContact C-N 3.34Å; R471-R478 PolarHBondContact O-NH2 3.27Å
472	S	93.8	Very high	93.5	Very high	85 Å²	85	80.7 Å²	80.7	59%	0.594	37%	0.372	S	S	*	.	H	α-helix	trans	-74.2	-18.8	178.2	68.1	0	0	0	0	114.9	K468 L469 W470	K468-S472 PolarHBondContact O-N 2.68Å; L469-S472 PolarHBondContact O-N 3.41Å; L469-S472 VanDerWaalsContact O-N 3.13Å; L469-S472 PolarHBondContact O-OG 3.15Å; W470-S472 VanDerWaalsContact C-N 3.28Å; W470-S472 PolarHBondContact O-N 2.84Å
473	L	92.9	Very high	93.3	Very high	26 Å²	26	85.2 Å²	85.2	14%	0.136	39%	0.394	C	S	.	.	S	Bend	trans	-70.7	136.1	174.1	-87.6	148.9	0	0	0	111.8	Y444 W470 R471 A477 R478 Y481	Y444-L473 HydrophobicContact CD1-CD1 3.45Å; Y444-L473 VanDerWaalsContact CD1-CD1 3.45Å; Y444-L473 HydrophobicContact CD2-CD1 3.61Å; Y444-L473 HydrophobicContact CE1-CD1 3.26Å; Y444-L473 HydrophobicContact CE1-CG 4.05Å; Y444-L473 HydrophobicContact CE2-CD1 3.47Å; Y444-L473 VanDerWaalsContact CE2-CD1 3.47Å; Y444-L473 HydrophobicContact CE2-CD2 4.08Å; Y444-L473 HydrophobicContact CE2-CG 4.06Å; Y444-L473 HydrophobicContact CG-CD1 3.6Å; W470-L473 HydrophobicContact CE3-CD1 3.63Å; W470-L473 HydrophobicContact CZ3-CD1 3.85Å; W470-L473 PolarHBondContact O-N 3.29Å; R471-L473 VanDerWaalsContact C-N 3.34Å; L473-A477 HydrophobicContact CD2-CB 3.61Å; L473-R478 HydrophobicContact CB-CG 3.76Å; L473-R478 HydrophobicContact CD1-CG 4.43Å; L473-R478 PolarHBondContact O-NE 3.32Å; L473-R478 PolarHBondContact O-NH2 3.5Å; L473-Y481 HydrophobicContact CD2-CE2 4.45Å
474	K	91.9	Very high	93.3	Very high	174 Å²	174	89.1 Å²	89.1	76%	0.757	41%	0.412	S	S	*	.			trans	-58.2	147.3	165.2	-68.4	-172.9	178.7	-178.5	0	110.8	D476 A477 R478	K474-D476 VanDerWaalsContact C-N 3.31Å; K474-D476 PolarHBondContact O-N 3.01Å; K474-A477 PolarHBondContact O-N 3.26Å; K474-A477 VanDerWaalsContact O-N 3.11Å; K474-R478 PolarHBondContact O-N 3.3Å
475	Q	85.3	Confident	93.5	Very high	148 Å²	148	82.7 Å²	82.7	69%	0.692	38%	0.384	S	S	*	.	H	α-helix	trans	-57.8	-40	-173.1	-174.8	168.2	-13.3	0	0	113.2	A477 R478	Q475-A477 VanDerWaalsContact C-N 3.35Å; Q475-A477 PolarHBondContact O-N 3.23Å; Q475-R478 WeakPolarHBondContact O-CB 3.28Å; Q475-R478 PolarHBondContact O-N 2.89Å
476	D	85.7	Confident	93.6	Very high	133 Å²	133	85.2 Å²	85.2	71%	0.711	39%	0.394	S	S	*	.	H	α-helix	trans	-67	-37.1	179.6	-52.2	-36.7	0	0	0	112.1	K474 R478 Q479	K474-D476 VanDerWaalsContact C-N 3.31Å; K474-D476 PolarHBondContact O-N 3.01Å; D476-R478 VanDerWaalsContact C-N 3.3Å; D476-R478 PolarHBondContact O-N 3.4Å; D476-Q479 WeakPolarHBondContact O-CB 3.46Å; D476-Q479 PolarHBondContact O-N 3.13Å
477	A	88.7	Confident	93.5	Very high	36 Å²	36	89.3 Å²	89.3	30%	0.298	42%	0.419	S	S	.	.	H	α-helix	trans	-68	-30.1	177.2	0	0	0	0	0	112.2	L473 K474 Q475 Q479 Y481	L473-A477 HydrophobicContact CD2-CB 3.61Å; K474-A477 PolarHBondContact O-N 3.26Å; K474-A477 VanDerWaalsContact O-N 3.11Å; Q475-A477 VanDerWaalsContact C-N 3.35Å; Q475-A477 PolarHBondContact O-N 3.23Å; A477-Q479 VanDerWaalsContact C-N 3.3Å; A477-Q479 PolarHBondContact O-N 3.12Å; A477-Y481 WeakPolarHBondContact O-CD2 3.49Å
478	R	96.8	Very high	93.5	Very high	68 Å²	68	90.1 Å²	90.1	26%	0.257	42%	0.421	S	S	.	.	H	α-helix	trans	-64.1	-33.8	175.5	-66	-176.5	-168.7	172.1	9.5	112.4	W470 R471 L473 K474 Q475 D476 R480 Y481 V482	W470-R478 HydrophobicContact CD2-CG 4.47Å; W470-R478 HydrophobicContact CE3-CG 4.37Å; W470-R478 HydrophobicContact CH2-CB 3.5Å; W470-R478 HydrophobicContact CH2-CG 3.71Å; W470-R478 HydrophobicContact CZ2-CB 3.75Å; W470-R478 HydrophobicContact CZ2-CG 3.8Å; W470-R478 HydrophobicContact CZ3-CB 4.18Å; W470-R478 HydrophobicContact CZ3-CG 4Å; W470-R478 VanDerWaalsContact O-CZ 3.3Å; W470-R478 PolarHBondContact O-NE 3.38Å; W470-R478 PolarHBondContact O-NH2 2.87Å; R471-R478 PolarHBondContact O-NH2 3.27Å; L473-R478 HydrophobicContact CB-CG 3.76Å; L473-R478 HydrophobicContact CD1-CG 4.43Å; L473-R478 PolarHBondContact O-NE 3.32Å; L473-R478 PolarHBondContact O-NH2 3.5Å; K474-R478 PolarHBondContact O-N 3.3Å; Q475-R478 WeakPolarHBondContact O-CB 3.28Å; Q475-R478 PolarHBondContact O-N 2.89Å; D476-R478 VanDerWaalsContact C-N 3.3Å; D476-R478 PolarHBondContact O-N 3.4Å; R478-R480 PolarHBondContact O-N 2.81Å; R478-Y481 PolarHBondContact O-N 2.87Å; R478-Y481 VanDerWaalsContact O-N 3.12Å; R478-V482 WeakPolarHBondContact O-CG2 3.39Å; R478-V482 PolarHBondContact O-N 3.17Å
479	Q	91.6	Very high	93.6	Very high	107 Å²	107	88.8 Å²	88.8	50%	0.5	41%	0.412	S	S	.	.	H	α-helix	trans	-58.9	-34.6	-175.9	-66.7	-61.5	-24.9	0	0	112.6	D476 A477 Y481 V482 Q483	D476-Q479 WeakPolarHBondContact O-CB 3.46Å; D476-Q479 PolarHBondContact O-N 3.13Å; A477-Q479 VanDerWaalsContact C-N 3.3Å; A477-Q479 PolarHBondContact O-N 3.12Å; Q479-Y481 PolarHBondContact O-N 2.97Å; Q479-V482 PolarHBondContact O-N 2.66Å; Q479-Q483 PolarHBondContact O-N 2.75Å
480	R	92	Very high	93.4	Very high	197 Å²	197	91.1 Å²	91.1	74%	0.743	43%	0.43	S	S	*	.	H	α-helix	trans	-59.7	-48.2	176.3	-64.8	-176.2	179.6	176.1	-0.5	111.6	R478 Q483 M484	R478-R480 PolarHBondContact O-N 2.81Å; R480-Q483 PolarHBondContact O-N 3.01Å; R480-M484 WeakPolarHBondContact O-CG 3.47Å; R480-M484 PolarHBondContact O-N 2.79Å
481	Y	97.1	Very high	93	Very high	44 Å²	44	91.1 Å²	91.1	17%	0.173	44%	0.438	C	S	.	.	H	α-helix	trans	-71.6	-32.3	178.9	-61.1	-77.3	0	0	0	112.7	Y444 L447 N448 W470 L473 A477 R478 Q479 Q483 M484 A485	Y444-Y481 HydrophobicContact CD2-CD1 4.25Å; Y444-Y481 AromaticContact CD2-CD2 3.93Å; Y444-Y481 HydrophobicContact CD2-CD2 3.93Å; Y444-Y481 AromaticContact CD2-CE1 3.86Å; Y444-Y481 HydrophobicContact CD2-CE1 3.86Å; Y444-Y481 AromaticContact CD2-CE2 3.5Å; Y444-Y481 HydrophobicContact CD2-CE2 3.5Å; Y444-Y481 VanDerWaalsContact CD2-CE2 3.5Å; Y444-Y481 HydrophobicContact CD2-CG 4.28Å; Y444-Y481 AromaticContact CD2-CZ 3.47Å; Y444-Y481 VanDerWaalsContact CD2-CZ 3.47Å; Y444-Y481 AromaticContact CE2-CE2 3.98Å; Y444-Y481 HydrophobicContact CE2-CE2 3.98Å; Y444-Y481 AromaticContact CE2-CZ 3.99Å; Y444-Y481 HydrophobicContact CG-CE2 4.48Å; L447-Y481 HydrophobicContact CD1-CD1 4.37Å; L447-Y481 HydrophobicContact CD1-CE1 4.13Å; N448-Y481 PolarHBondContact ND2-OH 3.48Å; W470-Y481 HydrophobicContact CZ3-CD2 4.34Å; W470-Y481 HydrophobicContact CZ3-CG 4.46Å; L473-Y481 HydrophobicContact CD2-CE2 4.45Å; A477-Y481 WeakPolarHBondContact O-CD2 3.49Å; R478-Y481 PolarHBondContact O-N 2.87Å; R478-Y481 VanDerWaalsContact O-N 3.12Å; Q479-Y481 PolarHBondContact O-N 2.97Å; Y481-Q483 VanDerWaalsContact C-N 3.31Å; Y481-Q483 PolarHBondContact O-N 3.35Å; Y481-M484 HydrophobicContact CD1-SD 4.38Å; Y481-M484 PolarHBondContact O-N 3.31Å; Y481-A485 VanDerWaalsContact O-CB 3.27Å; Y481-A485 WeakPolarHBondContact O-CB 2.98Å; Y481-A485 PolarHBondContact O-N 2.78Å
482	V	96.4	Very high	92.7	Very high	56 Å²	56	86.1 Å²	86.1	34%	0.339	42%	0.422	S	S	.	.	H	α-helix	trans	-60.9	-42.5	172.6	173.1	0	0	0	0	111	A440 W470 R478 Q479 R486	A440-V482 HydrophobicContact CB-CB 4.47Å; A440-V482 HydrophobicContact CB-CG2 3.91Å; W470-V482 HydrophobicContact CH2-CG2 4.3Å; W470-V482 HydrophobicContact CZ2-CG2 4.33Å; R478-V482 WeakPolarHBondContact O-CG2 3.39Å; R478-V482 PolarHBondContact O-N 3.17Å; Q479-V482 PolarHBondContact O-N 2.66Å; V482-R486 PolarHBondContact O-N 3.27Å; V482-R486 VanDerWaalsContact O-N 3.12Å
483	Q	91.4	Very high	92.4	Very high	110 Å²	110	90.1 Å²	90.1	51%	0.514	42%	0.424	S	S	.	.	H	α-helix	trans	-69.8	-43.8	178	-171.7	66	-6.1	0	0	112	Q479 R480 Y481 A485 R486 V487	Q479-Q483 PolarHBondContact O-N 2.75Å; R480-Q483 PolarHBondContact O-N 3.01Å; Y481-Q483 VanDerWaalsContact C-N 3.31Å; Y481-Q483 PolarHBondContact O-N 3.35Å; Q483-A485 PolarHBondContact O-N 2.69Å; Q483-R486 WeakPolarHBondContact O-CB 3.34Å; Q483-R486 PolarHBondContact O-N 3.03Å; Q483-R486 VanDerWaalsContact O-N 3.14Å; Q483-V487 PolarHBondContact O-N 3.14Å; Q483-V487 VanDerWaalsContact O-N 3.1Å
484	M	95.4	Very high	91.9	Very high	87 Å²	87	94.5 Å²	94.5	43%	0.429	45%	0.447	S	S	.	.	H	α-helix	trans	-59.6	-45.5	175.1	-68.3	172.1	69.9	0	0	112	L443 L447 R480 Y481 R486 V487 N488	L443-M484 HydrophobicContact CD2-CB 3.71Å; L447-M484 HydrophobicContact CD1-CE 3.9Å; R480-M484 WeakPolarHBondContact O-CG 3.47Å; R480-M484 PolarHBondContact O-N 2.79Å; Y481-M484 HydrophobicContact CD1-SD 4.38Å; Y481-M484 PolarHBondContact O-N 3.31Å; M484-R486 PolarHBondContact O-N 3.35Å; M484-V487 WeakPolarHBondContact O-CB 3.3Å; M484-V487 PolarHBondContact O-N 3.18Å; M484-N488 PolarHBondContact O-N 2.83Å
485	A	97.9	Very high	91.3	Very high	0 Å²	0	90.8 Å²	90.8	0%	0	43%	0.433	C	S	.	.	H	α-helix	trans	-61.9	-32.1	176.7	0	0	0	0	0	112.4	A440 L443 Y481 Q483 N488 R489	A440-A485 HydrophobicContact CB-CB 4.09Å; L443-A485 HydrophobicContact CD2-CB 4.03Å; Y481-A485 VanDerWaalsContact O-CB 3.27Å; Y481-A485 WeakPolarHBondContact O-CB 2.98Å; Y481-A485 PolarHBondContact O-N 2.78Å; Q483-A485 PolarHBondContact O-N 2.69Å; A485-N488 PolarHBondContact O-N 3.4Å; A485-R489 WeakPolarHBondContact O-CG 3.44Å; A485-R489 PolarHBondContact O-N 3.35Å; A485-R489 PolarHBondContact O-NH1 3.16Å
486	R	96.3	Very high	91.1	Very high	154 Å²	154	87.3 Å²	87.3	58%	0.581	42%	0.422	S	S	*	.	H	α-helix	trans	-66.6	-37.9	173.2	-167.7	-179.9	-170	168.1	3.9	112.3	V482 Q483 M484 S490	V482-R486 PolarHBondContact O-N 3.27Å; V482-R486 VanDerWaalsContact O-N 3.12Å; Q483-R486 WeakPolarHBondContact O-CB 3.34Å; Q483-R486 PolarHBondContact O-N 3.03Å; Q483-R486 VanDerWaalsContact O-N 3.14Å; M484-R486 PolarHBondContact O-N 3.35Å; R486-S490 PolarHBondContact O-N 3.48Å; R486-S490 PolarHBondContact O-OG 3.27Å
487	V	94.3	Very high	90.4	Very high	86 Å²	86	87.3 Å²	87.3	52%	0.521	42%	0.415	S	S	.	.	H	α-helix	trans	-65.7	-45	174.4	177.3	0	0	0	0	110	Q483 M484 R489 S490 A491	Q483-V487 PolarHBondContact O-N 3.14Å; Q483-V487 VanDerWaalsContact O-N 3.1Å; M484-V487 WeakPolarHBondContact O-CB 3.3Å; M484-V487 PolarHBondContact O-N 3.18Å; V487-R489 PolarHBondContact O-N 3.07Å; V487-S490 WeakPolarHBondContact O-CA 3.25Å; V487-S490 WeakPolarHBondContact O-CB 3.46Å; V487-S490 PolarHBondContact O-N 3.29Å; V487-A491 PolarHBondContact O-N 3.29Å
488	N	96.6	Very high	89.6	Confident	32 Å²	32	88.5 Å²	88.5	17%	0.171	43%	0.425	C	S	.	.	H	α-helix	trans	-58	-45.4	175.9	-71.5	-7.9	0	0	0	112.3	N435 R436 A437 M484 A485 S490 A491 M492	N435-N488 PolarHBondContact O-ND2 3.5Å; R436-N488 VanDerWaalsContact C-ND2 3.3Å; R436-N488 WeakPolarHBondContact CA-ND2 3.21Å; R436-N488 PolarHBondContact O-ND2 3.07Å; A437-N488 PolarHBondContact O-ND2 3.36Å; M484-N488 PolarHBondContact O-N 2.83Å; A485-N488 PolarHBondContact O-N 3.4Å; N488-S490 PolarHBondContact O-N 3.13Å; N488-A491 PolarHBondContact O-N 3Å; N488-M492 VanDerWaalsContact O-CG 3.28Å; N488-M492 WeakPolarHBondContact O-CG 3.35Å; N488-M492 PolarHBondContact O-N 2.87Å
489	R	95	Very high	88.4	Confident	104 Å²	104	93.6 Å²	93.6	39%	0.392	44%	0.444	S	S	.	.	H	α-helix	trans	-57.5	-36.9	173.6	-73.7	-173.3	-60.1	-92.1	6.3	112.7	S438 A485 V487 R493	S438-R489 PolarHBondContact O-NH1 2.76Å; A485-R489 WeakPolarHBondContact O-CG 3.44Å; A485-R489 PolarHBondContact O-N 3.35Å; A485-R489 PolarHBondContact O-NH1 3.16Å; V487-R489 PolarHBondContact O-N 3.07Å; R489-R493 WeakPolarHBondContact O-CB 3.48Å; R489-R493 PolarHBondContact O-N 3.48Å
490	S	91.3	Very high	86.9	Confident	66 Å²	66	92.5 Å²	92.5	46%	0.462	44%	0.442	S	S	.	.	H	α-helix	trans	-72.9	-41.7	179.6	-54	0	0	0	0	111.6	R486 V487 N488 R493 L494	R486-S490 PolarHBondContact O-N 3.48Å; R486-S490 PolarHBondContact O-OG 3.27Å; V487-S490 WeakPolarHBondContact O-CA 3.25Å; V487-S490 WeakPolarHBondContact O-CB 3.46Å; V487-S490 PolarHBondContact O-N 3.29Å; N488-S490 PolarHBondContact O-N 3.13Å; S490-R493 WeakPolarHBondContact O-CB 3.22Å; S490-R493 PolarHBondContact O-N 3.27Å; S490-L494 PolarHBondContact O-N 2.89Å; S490-L494 VanDerWaalsContact O-N 3.15Å
491	A	88.8	Confident	85.3	Confident	38 Å²	38	91 Å²	91	31%	0.314	44%	0.441	S	S	.	.	H	α-helix	trans	-63.6	-48.3	176.6	0	0	0	0	0	112.1	V487 N488 R493 L494 E495	V487-A491 PolarHBondContact O-N 3.29Å; N488-A491 PolarHBondContact O-N 3Å; A491-R493 PolarHBondContact O-N 3.31Å; A491-L494 WeakPolarHBondContact O-CB 3.18Å; A491-L494 PolarHBondContact O-N 3.3Å; A491-E495 PolarHBondContact O-N 3.49Å
492	M	87.3	Confident	83.2	Confident	57 Å²	57	92.1 Å²	92.1	28%	0.281	46%	0.459	S	S	.	.	H	α-helix	trans	-57.1	-35.5	176.2	-68.4	-75.8	-95.8	0	0	111.9	L433 R436 N488 T496	L433-M492 HydrophobicContact CD1-CE 3.86Å; L433-M492 HydrophobicContact CD2-CE 3.74Å; L433-M492 HydrophobicContact CG-CE 4.48Å; R436-M492 PolarHBondContact NH2-SD 2.92Å; R436-M492 VanDerWaalsContact NH2-SD 3.36Å; N488-M492 VanDerWaalsContact O-CG 3.28Å; N488-M492 WeakPolarHBondContact O-CG 3.35Å; N488-M492 PolarHBondContact O-N 2.87Å; M492-T496 WeakPolarHBondContact O-CB 3.49Å; M492-T496 PolarHBondContact O-N 3.33Å; M492-T496 PolarHBondContact O-OG1 3.37Å
493	R	88.6	Confident	81.1	Confident	169 Å²	169	94.9 Å²	94.9	64%	0.638	47%	0.47	S	S	*	.	H	α-helix	trans	-70.1	-36.1	177.2	-155.8	177.8	-147.5	-178.6	5.3	112.6	R489 S490 A491 K497	R489-R493 WeakPolarHBondContact O-CB 3.48Å; R489-R493 PolarHBondContact O-N 3.48Å; S490-R493 WeakPolarHBondContact O-CB 3.22Å; S490-R493 PolarHBondContact O-N 3.27Å; A491-R493 PolarHBondContact O-N 3.31Å; R493-K497 WeakPolarHBondContact O-CG 3.46Å; R493-K497 PolarHBondContact O-N 3.13Å; R493-K497 VanDerWaalsContact O-N 3.08Å
494	L	81.7	Confident	79	Confident	119 Å²	119	97.5 Å²	97.5	62%	0.623	49%	0.485	S	S	*	.	H	α-helix	trans	-69.5	-41.7	174.7	-73.8	167.8	0	0	0	111.3	S490 A491 K497 A498	S490-L494 PolarHBondContact O-N 2.89Å; S490-L494 VanDerWaalsContact O-N 3.15Å; A491-L494 WeakPolarHBondContact O-CB 3.18Å; A491-L494 PolarHBondContact O-N 3.3Å; L494-K497 WeakPolarHBondContact O-CB 3.13Å; L494-K497 PolarHBondContact O-N 3.37Å; L494-A498 WeakPolarHBondContact O-CB 3.22Å; L494-A498 PolarHBondContact O-N 3.16Å
495	E	79.8	Confident	76.5	Confident	96 Å²	96	97.3 Å²	97.3	45%	0.449	50%	0.497	S	S	.	.	H	α-helix	trans	-63.1	-42.4	174.4	-73.3	173.3	-152.2	0	0	111.9	R436 A491 K497 A498 R499	R436-E495 IonicContact CZ-OE1 3.74Å; R436-E495 IonicContact CZ-OE2 3.09Å; R436-E495 IonicContact NH1-OE2 2.59Å; R436-E495 IonicContact NH2-OE1 2.79Å; R436-E495 PolarHBondContact NH2-OE1 3.09Å; R436-E495 IonicContact NH2-OE2 2.85Å; R436-E495 PolarHBondContact NH2-OE2 3.47Å; A491-E495 PolarHBondContact O-N 3.49Å; E495-K497 VanDerWaalsContact C-N 3.29Å; E495-K497 PolarHBondContact O-N 3.22Å; E495-A498 PolarHBondContact O-N 3.14Å; E495-R499 WeakPolarHBondContact O-CB 3.45Å; E495-R499 PolarHBondContact O-N 3.2Å
496	T	79.9	Confident	73.5	Confident	75 Å²	75	100.2 Å²	100.2	46%	0.46	53%	0.527	S	S	.	.	H	α-helix	trans	-60.8	-41	175.1	-53.7	0	0	0	0	111	M492 R499 N500	M492-T496 WeakPolarHBondContact O-CB 3.49Å; M492-T496 PolarHBondContact O-N 3.33Å; M492-T496 PolarHBondContact O-OG1 3.37Å; T496-R499 PolarHBondContact O-N 2.93Å; T496-N500 WeakPolarHBondContact O-CB 3.13Å; T496-N500 PolarHBondContact O-N 3.07Å; T496-N500 PolarHBondContact O-OD1 2.98Å
497	K	72.5	Confident	70.7	Confident	133 Å²	133	100.7 Å²	100.7	58%	0.578	54%	0.535	S	S	*	.	H	α-helix	trans	-65.7	-43.1	174.5	-78.9	-178.5	177.9	-174.7	0	112.4	R493 L494 E495 R499 N500 K501	R493-K497 WeakPolarHBondContact O-CG 3.46Å; R493-K497 PolarHBondContact O-N 3.13Å; R493-K497 VanDerWaalsContact O-N 3.08Å; L494-K497 WeakPolarHBondContact O-CB 3.13Å; L494-K497 PolarHBondContact O-N 3.37Å; E495-K497 VanDerWaalsContact C-N 3.29Å; E495-K497 PolarHBondContact O-N 3.22Å; K497-R499 VanDerWaalsContact C-N 3.35Å; K497-N500 PolarHBondContact O-N 2.78Å; K497-K501 WeakPolarHBondContact O-CB 3.21Å; K497-K501 PolarHBondContact O-N 2.86Å
498	A	72	Confident	67.8	Low	60 Å²	60	106 Å²	106	50%	0.496	55%	0.554	S	S	.	*	H	α-helix	trans	-62.7	-43.5	177.4	0	0	0	0	0	110.9	L494 E495 K501 A502	L494-A498 WeakPolarHBondContact O-CB 3.22Å; L494-A498 PolarHBondContact O-N 3.16Å; E495-A498 PolarHBondContact O-N 3.14Å; A498-K501 PolarHBondContact O-N 3.11Å; A498-A502 WeakPolarHBondContact O-CB 3.47Å; A498-A502 PolarHBondContact O-N 2.85Å
499	R	69.7	Low	64.5	Low	175 Å²	175	112.3 Å²	112.3	66%	0.66	59%	0.588	S	S	*	*	H	α-helix	trans	-61	-48.2	175.3	-166.3	175.2	86.9	156.1	4.9	111.8	E495 T496 K497 K501 A502 I503	E495-R499 WeakPolarHBondContact O-CB 3.45Å; E495-R499 PolarHBondContact O-N 3.2Å; T496-R499 PolarHBondContact O-N 2.93Å; K497-R499 VanDerWaalsContact C-N 3.35Å; R499-K501 VanDerWaalsContact C-N 3.3Å; R499-K501 PolarHBondContact O-N 2.77Å; R499-A502 PolarHBondContact O-N 3.07Å; R499-I503 HydrophobicContact CG-CD1 4.3Å; R499-I503 VanDerWaalsContact O-CG1 3.32Å; R499-I503 WeakPolarHBondContact O-CG1 3.23Å; R499-I503 PolarHBondContact O-N 2.87Å
500	N	61	Low	61.1	Low	84 Å²	84	113 Å²	113	45%	0.449	61%	0.609	S	S	.	*	H	α-helix	trans	-66.8	-33.2	179.1	-68.7	-5.3	0	0	0	112.1	T496 K497 I503 M504	T496-N500 WeakPolarHBondContact O-CB 3.13Å; T496-N500 PolarHBondContact O-N 3.07Å; T496-N500 PolarHBondContact O-OD1 2.98Å; K497-N500 PolarHBondContact O-N 2.78Å; N500-I503 PolarHBondContact O-N 2.89Å; N500-M504 WeakPolarHBondContact O-CG 3.46Å; N500-M504 PolarHBondContact O-N 2.92Å; N500-M504 VanDerWaalsContact O-N 3.14Å
501	K	57.4	Low	58.2	Low	166 Å²	166	115.6 Å²	115.6	72%	0.722	63%	0.626	S	S	*	*	H	α-helix	trans	-71.3	-35.6	176	-159.7	178	-174.3	-173	0	112	K497 A498 R499 M504 A505	K497-K501 WeakPolarHBondContact O-CB 3.21Å; K497-K501 PolarHBondContact O-N 2.86Å; A498-K501 PolarHBondContact O-N 3.11Å; R499-K501 VanDerWaalsContact C-N 3.3Å; R499-K501 PolarHBondContact O-N 2.77Å; K501-M504 PolarHBondContact O-N 3.46Å; K501-A505 PolarHBondContact O-N 2.8Å; K501-A505 VanDerWaalsContact O-N 3.14Å
502	A	53.9	Low	55.1	Low	67 Å²	67	119.3 Å²	119.3	55%	0.554	65%	0.65	S	S	*	*	H	α-helix	trans	-67.2	-40.2	173.1	0	0	0	0	0	111.8	A498 R499 M504 A505 G506	A498-A502 WeakPolarHBondContact O-CB 3.47Å; A498-A502 PolarHBondContact O-N 2.85Å; R499-A502 PolarHBondContact O-N 3.07Å; A502-M504 VanDerWaalsContact C-N 3.3Å; A502-M504 PolarHBondContact O-N 3.25Å; A502-A505 PolarHBondContact O-N 3.12Å; A502-G506 PolarHBondContact O-N 3.29Å
503	I	52.9	Low	52.1	Low	114 Å²	114	121.5 Å²	121.5	59%	0.585	67%	0.671	S	S	*	*	H	α-helix	trans	-61.5	-39.3	174.9	-67.1	165.9	0	0	0	111	R499 N500	R499-I503 HydrophobicContact CG-CD1 4.3Å; R499-I503 VanDerWaalsContact O-CG1 3.32Å; R499-I503 WeakPolarHBondContact O-CG1 3.23Å; R499-I503 PolarHBondContact O-N 2.87Å; N500-I503 PolarHBondContact O-N 2.89Å
504	M	46.8	Very low	48.9	Very low	166 Å²	166	118.4 Å²	118.4	82%	0.818	68%	0.676	S	S	*	*	H	α-helix	trans	-72.2	-27	178	-73.9	-89.2	-169.3	0	0	113.9	N500 K501 A502 G506	N500-M504 WeakPolarHBondContact O-CG 3.46Å; N500-M504 PolarHBondContact O-N 2.92Å; N500-M504 VanDerWaalsContact O-N 3.14Å; K501-M504 PolarHBondContact O-N 3.46Å; A502-M504 VanDerWaalsContact C-N 3.3Å; A502-M504 PolarHBondContact O-N 3.25Å; M504-G506 VanDerWaalsContact C-N 3.35Å
505	A	43.4	Very low	46.3	Very low	83 Å²	83	122.8 Å²	122.8	69%	0.686	69%	0.69	S	S	*	*	H	α-helix	trans	-82.9	-10.9	-177.7	0	0	0	0	0	113.7	K501 A502 H507	K501-A505 PolarHBondContact O-N 2.8Å; K501-A505 VanDerWaalsContact O-N 3.14Å; A502-A505 PolarHBondContact O-N 3.12Å; A505-H507 VanDerWaalsContact C-N 3.31Å; A505-H507 PolarHBondContact O-N 2.92Å
506	G	34.8	Very low	43.4	Very low	60 Å²	60	122 Å²	122	62%	0.619	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	15	-176.4	0	0	0	0	0	116	A502 M504	A502-G506 PolarHBondContact O-N 3.29Å; M504-G506 VanDerWaalsContact C-N 3.35Å
507	H	36	Very low	40.8	Very low	165 Å²	165	127.9 Å²	127.9	76%	0.764	73%	0.732	S	S	*	*			trans	-132.4	79.7	176.5	-81.5	53.6	0	0	0	109.7	A505	A505-H507 VanDerWaalsContact C-N 3.31Å; A505-H507 PolarHBondContact O-N 2.92Å
508	H	33.4	Very low	38.5	Very low	196 Å²	196	127.8 Å²	127.8	91%	0.907	74%	0.743	S	S	*	*			trans	-161	106.9	150.2	-105.7	-70.1	0	0	0	108.8
509	D	27.9	Very low	36.1	Very low	165 Å²	165	131.3 Å²	131.3	88%	0.882	76%	0.758	S	S	*	*			trans	-70.3	155.5	-176.1	-81.8	-47.9	0	0	0	114
510	S	23.7	Very low	33.9	Very low	120 Å²	120	127.6 Å²	127.6	84%	0.839	77%	0.765	S	S	*	*			trans	-79.7	123	172.9	-53.6	0	0	0	0	109.9
511	S	30.7	Very low	31.9	Very low	119 Å²	119	132.3 Å²	132.3	83%	0.832	78%	0.784	S	S	*	*			trans	-154.2	112.1	151.9	63.5	0	0	0	0	110.6
512	S	22.8	Very low	30.3	Very low	117 Å²	117	131.3 Å²	131.3	82%	0.818	79%	0.792	S	S	*	*			trans	-63.6	163.1	175.5	48.3	0	0	0	0	115.3
513	S	24.5	Very low	28.8	Very low	103 Å²	103	136.5 Å²	136.5	72%	0.72	81%	0.805	S	S	*	*			trans	109	85.8	142.5	-154.6	0	0	0	0	117.5
514	S	21.8	Very low	27.3	Very low	104 Å²	104	137.5 Å²	137.5	73%	0.727	82%	0.816	S	S	*	*				32.8	117.6	112	-41.4	0	0	0	0	119.6
515	K	26.7	Very low	26.3	Very low	211 Å²	211	136.2 Å²	136.2	92%	0.917	82%	0.818	S	S	*	*			trans	159.9	113.1	141.9	-89	161.2	-176.3	-175.8	0	106.1
516	G	19.9	Very low	25.2	Very low	80 Å²	80	138 Å²	138	83%	0.825	83%	0.825	S	S	*	*			cis	85.3	84.9	45	0	0	0	0	0	108.4
517	M	24.5	Very low	24.7	Very low	197 Å²	197	138.7 Å²	138.7	97%	0.97	83%	0.832	S	S	*	*			trans	-140.3	122.1	175.6	-146.9	155.3	169.2	0	0	110.6
518	T	23.9	Very low	24.1	Very low	131 Å²	131	136.3 Å²	136.3	80%	0.804	83%	0.834	S	S	*	*			trans	-98.1	137.6	-171.1	39.2	0	0	0	0	112.1
519	V	21.7	Very low	23.7	Very low	134 Å²	134	132.5 Å²	132.5	81%	0.812	83%	0.829	S	S	*	*			trans	14.8	118.9	146.4	-169.7	0	0	0	0	118.7
520	A	23.4	Very low	23.6	Very low	98 Å²	98	133.3 Å²	133.3	81%	0.81	83%	0.83	S	S	*	*			trans	-143.5	125.1	144.8	0	0	0	0	0	109.5
521	Q	19.9	Very low	23.8	Very low	183 Å²	183	136.1 Å²	136.1	86%	0.855	83%	0.83	S	S	*	*			trans	-67.5	142.3	177.9	-74.4	159.6	-57.8	0	0	111.1
522	T	24	Very low	23.9	Very low	145 Å²	145	135.8 Å²	135.8	89%	0.89	83%	0.828	S	S	*	*			trans	-137.6	133.1	157.2	-48.2	0	0	0	0	109.1
523	Q	22.2	Very low	24.4	Very low	176 Å²	176	138.9 Å²	138.9	82%	0.822	83%	0.829	S	S	*	*			trans	-72.2	136.4	-166.5	-71.5	164.9	-36	0	0	113.2
524	V	20.7	Very low	25.2	Very low	135 Å²	135	139.1 Å²	139.1	82%	0.818	83%	0.831	S	S	*	*			trans	22.5	105.7	133.8	-166.5	0	0	0	0	117
525	T	25.7	Very low	27	Very low	139 Å²	139	138.8 Å²	138.8	85%	0.853	82%	0.818	S	S	*	*			trans	-124.2	112.7	147.1	55.8	0	0	0	0	108.8
526	S	22	Very low	28.7	Very low	120 Å²	120	131.8 Å²	131.8	84%	0.839	79%	0.794	S	S	*	*			trans	-59.7	128.9	172.3	47.9	0	0	0	0	112
527	G	22.6	Very low	30.7	Very low	75 Å²	75	131.2 Å²	131.2	77%	0.773	77%	0.77	S	S	*	*			trans	146	75.7	161.1	0	0	0	0	0	114.7
528	S	24.5	Very low	32.8	Very low	115 Å²	115	127.1 Å²	127.1	80%	0.804	75%	0.752	S	S	*	*			trans	-165.8	105.3	158.7	45.8	0	0	0	0	111.3
529	S	25.1	Very low	35.3	Very low	115 Å²	115	129.2 Å²	129.2	80%	0.804	75%	0.745	S	S	*	*			trans	40.6	107.4	140.6	-145.8	0	0	0	0	116.7	Q531	S529-Q531 PolarHBondContact O-N 3.26Å
530	M	25.5	Very low	38.3	Very low	182 Å²	182	123.7 Å²	123.7	90%	0.897	71%	0.711	S	S	*	*			trans	-48.6	107.2	171.1	-65.7	-160.5	78.1	0	0	110.3	S532	M530-S532 PolarHBondContact O-N 2.98Å
531	Q	27	Very low	41	Very low	180 Å²	180	124.4 Å²	124.4	84%	0.841	70%	0.699	S	S	*	*			trans	-57.5	124.7	168.6	-80.8	167.7	-33	0	0	108	S529 Q533	S529-Q531 PolarHBondContact O-N 3.26Å; Q531-Q533 PolarHBondContact O-N 3.34Å
532	S	33	Very low	44	Very low	112 Å²	112	120.6 Å²	120.6	78%	0.783	68%	0.681	S	S	*	*			trans	-45.8	111.3	171.7	54.2	0	0	0	0	109.4	M530 S534	M530-S532 PolarHBondContact O-N 2.98Å; S532-S534 VanDerWaalsContact C-N 3.27Å; S532-S534 PolarHBondContact O-N 3.35Å
533	Q	34.8	Very low	47.2	Very low	182 Å²	182	115.9 Å²	115.9	85%	0.85	65%	0.65	S	S	*	*			trans	-62.5	94	168.6	-76.8	177.6	-18.1	0	0	107.5	Q531 E535	Q531-Q533 PolarHBondContact O-N 3.34Å; Q533-E535 PolarHBondContact O-N 3.39Å
534	S	41.4	Very low	50.6	Low	108 Å²	108	110 Å²	110	76%	0.755	62%	0.623	S	S	*	*			trans	-59	129.1	162.9	50.3	0	0	0	0	107.9	S532	S532-S534 VanDerWaalsContact C-N 3.27Å; S532-S534 PolarHBondContact O-N 3.35Å
535	E	58.2	Low	53.9	Low	97 Å²	97	109.9 Å²	109.9	45%	0.453	61%	0.611	S	S	.	*			trans	-59.8	133.7	-163.4	-65.9	-153.4	119.4	0	0	113	Q533 E537 D538 R625	Q533-E535 PolarHBondContact O-N 3.39Å; E535-E537 PolarHBondContact O-N 3.39Å; E535-E537 VanDerWaalsContact O-N 3.1Å; E535-D538 PolarHBondContact O-N 3.47Å; E535-R625 IonicContact OE1-CZ 3.08Å; E535-R625 IonicContact OE1-NH2 2.76Å; E535-R625 PolarHBondContact OE1-NH2 3.37Å
536	P	61.9	Low	57.1	Low	64 Å²	64	106.6 Å²	106.6	42%	0.416	59%	0.589	S	S	.	*	H	α-helix	trans	-54.5	-28.3	178.5	-26.3	33	0	0	0	114.4	W539 L540	P536-W539 PolarHBondContact O-N 3.16Å; P536-L540 WeakPolarHBondContact O-CG 3.34Å; P536-L540 PolarHBondContact O-N 3.18Å
537	E	62.4	Low	60.6	Low	68 Å²	68	101.6 Å²	101.6	32%	0.318	55%	0.552	S	S	.	*	H	α-helix	trans	-66.4	-42.5	-178.4	-70.8	-169.8	176.7	0	0	113.1	E535 W539 L540 M541	E535-E537 PolarHBondContact O-N 3.39Å; E535-E537 VanDerWaalsContact O-N 3.1Å; E537-W539 PolarHBondContact O-N 3.46Å; E537-L540 PolarHBondContact O-N 3.37Å; E537-M541 VanDerWaalsContact O-CB 3.28Å; E537-M541 WeakPolarHBondContact O-CB 3.29Å; E537-M541 PolarHBondContact O-N 3.12Å
538	D	69	Low	64	Low	111 Å²	111	100.7 Å²	100.7	59%	0.594	53%	0.531	S	S	*	.	H	α-helix	trans	-61.5	-38.9	178.8	-84.4	-15.4	0	0	0	110.5	E535 Q542	E535-D538 PolarHBondContact O-N 3.47Å; D538-Q542 VanDerWaalsContact O-CB 3.29Å; D538-Q542 WeakPolarHBondContact O-CB 3.08Å; D538-Q542 PolarHBondContact O-N 3.45Å
539	W	76.2	Confident	67.3	Low	174 Å²	174	103.6 Å²	103.6	66%	0.659	53%	0.525	S	S	*	.	H	α-helix	trans	-67.8	-46	176.4	-175.9	81.4	0	0	0	112	P536 E537 M541 Q542 I543	P536-W539 PolarHBondContact O-N 3.16Å; E537-W539 PolarHBondContact O-N 3.46Å; W539-M541 PolarHBondContact O-N 3.49Å; W539-Q542 PolarHBondContact O-N 3.35Å; W539-I543 HydrophobicContact CD2-CD1 3.61Å; W539-I543 HydrophobicContact CD2-CG1 4.47Å; W539-I543 HydrophobicContact CE3-CD1 3.5Å; W539-I543 HydrophobicContact CH2-CD1 3.33Å; W539-I543 HydrophobicContact CZ2-CD1 3.44Å; W539-I543 VanDerWaalsContact CZ2-CD1 3.44Å; W539-I543 HydrophobicContact CZ3-CD1 3.35Å; W539-I543 WeakPolarHBondContact O-CG1 3.47Å; W539-I543 PolarHBondContact O-N 3.43Å
540	L	85	Confident	70.6	Confident	18 Å²	18	103.1 Å²	103.1	9%	0.094	51%	0.51	C	S	.	.	H	α-helix	trans	-64.2	-37.7	176.5	-70.9	170	0	0	0	112.3	P536 E537 I543 Q544 N614 A617 M618	P536-L540 WeakPolarHBondContact O-CG 3.34Å; P536-L540 PolarHBondContact O-N 3.18Å; E537-L540 PolarHBondContact O-N 3.37Å; L540-I543 WeakPolarHBondContact O-CB 3.42Å; L540-I543 PolarHBondContact O-N 3.37Å; L540-Q544 PolarHBondContact O-N 3.35Å; L540-N614 WeakPolarHBondContact CD2-OD1 3.33Å; L540-N614 PolarHBondContact O-ND2 3.38Å; L540-A617 HydrophobicContact CD2-CB 4.34Å; L540-M618 HydrophobicContact CB-CG 4.11Å; L540-M618 HydrophobicContact CB-SD 3.29Å; L540-M618 WeakPolarHBondContact CB-SD 3.19Å; L540-M618 HydrophobicContact CD1-CG 4.37Å; L540-M618 HydrophobicContact CD1-SD 3.77Å; L540-M618 HydrophobicContact CG-SD 4.16Å
541	M	80.2	Confident	74	Confident	114 Å²	114	96.3 Å²	96.3	56%	0.562	48%	0.476	S	S	*	.	H	α-helix	trans	-68.8	-37.7	176.1	-172.6	147.3	67.1	0	0	111.5	E537 W539 Q544 F545	E537-M541 VanDerWaalsContact O-CB 3.28Å; E537-M541 WeakPolarHBondContact O-CB 3.29Å; E537-M541 PolarHBondContact O-N 3.12Å; W539-M541 PolarHBondContact O-N 3.49Å; M541-Q544 WeakPolarHBondContact O-CB 3.42Å; M541-Q544 PolarHBondContact O-N 3.17Å; M541-F545 PolarHBondContact O-N 3.36Å
542	Q	83.7	Confident	77.2	Confident	103 Å²	103	91 Å²	91	48%	0.481	45%	0.453	S	S	.	.	H	α-helix	trans	-65.5	-38	173.3	-173.3	57.7	76.6	0	0	112.1	D538 W539 N546	D538-Q542 VanDerWaalsContact O-CB 3.29Å; D538-Q542 WeakPolarHBondContact O-CB 3.08Å; D538-Q542 PolarHBondContact O-N 3.45Å; W539-Q542 PolarHBondContact O-N 3.35Å; Q542-N546 PolarHBondContact NE2-ND2 2.85Å; Q542-N546 PolarHBondContact O-N 3.46Å; Q542-N546 VanDerWaalsContact O-N 3.12Å; Q542-N546 PolarHBondContact O-ND2 2.97Å; Q542-N546 VanDerWaalsContact O-ND2 3.08Å
543	I	90.5	Very high	80.1	Confident	46 Å²	46	87.2 Å²	87.2	24%	0.236	43%	0.429	C	S	.	.	H	α-helix	trans	-62.4	-46.7	171.6	-71.4	170.2	0	0	0	110.4	W539 L540 F545 N546 L547	W539-I543 HydrophobicContact CD2-CD1 3.61Å; W539-I543 HydrophobicContact CD2-CG1 4.47Å; W539-I543 HydrophobicContact CE3-CD1 3.5Å; W539-I543 HydrophobicContact CH2-CD1 3.33Å; W539-I543 HydrophobicContact CZ2-CD1 3.44Å; W539-I543 VanDerWaalsContact CZ2-CD1 3.44Å; W539-I543 HydrophobicContact CZ3-CD1 3.35Å; W539-I543 WeakPolarHBondContact O-CG1 3.47Å; W539-I543 PolarHBondContact O-N 3.43Å; L540-I543 WeakPolarHBondContact O-CB 3.42Å; L540-I543 PolarHBondContact O-N 3.37Å; I543-F545 VanDerWaalsContact C-N 3.31Å; I543-F545 PolarHBondContact O-N 3.42Å; I543-N546 PolarHBondContact O-N 3.48Å; I543-N546 VanDerWaalsContact O-N 3.15Å; I543-L547 HydrophobicContact CG2-CD1 3.71Å; I543-L547 HydrophobicContact CG2-CG 4.13Å; I543-L547 WeakPolarHBondContact O-CG 3.46Å; I543-L547 PolarHBondContact O-N 3.13Å
544	Q	92.7	Very high	83	Confident	52 Å²	52	79 Å²	79	24%	0.243	39%	0.391	C	S	.	.	H	α-helix	trans	-55.9	-48.5	178.9	-169.6	74.9	-10.4	0	0	110.9	L540 M541 N546 L547 V548 L611 N614 T615	L540-Q544 PolarHBondContact O-N 3.35Å; M541-Q544 WeakPolarHBondContact O-CB 3.42Å; M541-Q544 PolarHBondContact O-N 3.17Å; Q544-N546 VanDerWaalsContact C-N 3.35Å; Q544-N546 PolarHBondContact O-N 2.92Å; Q544-L547 PolarHBondContact O-N 2.65Å; Q544-V548 WeakPolarHBondContact O-CG2 3.38Å; Q544-V548 PolarHBondContact O-N 3.19Å; Q544-L611 HydrophobicContact CG-CD2 4.49Å; Q544-N614 PolarHBondContact N-ND2 2.85Å; Q544-N614 PolarHBondContact OE1-ND2 2.92Å; Q544-T615 PolarHBondContact NE2-OG1 3.29Å
545	F	90.4	Very high	85.6	Confident	133 Å²	133	77 Å²	77	58%	0.583	37%	0.369	S	S	*	.	H	α-helix	trans	-58.7	-44.8	177.9	179.1	-97.7	0	0	0	112.3	M541 I543 R549	M541-F545 PolarHBondContact O-N 3.36Å; I543-F545 VanDerWaalsContact C-N 3.31Å; I543-F545 PolarHBondContact O-N 3.42Å; F545-R549 WeakPolarHBondContact O-CB 3.45Å; F545-R549 PolarHBondContact O-N 2.97Å
546	N	93.5	Very high	87.3	Confident	70 Å²	70	80.2 Å²	80.2	37%	0.374	38%	0.377	S	S	.	.	H	α-helix	trans	-66	-40.7	179.2	-74.9	-35.9	0	0	0	112.4	Q542 I543 Q544 R549 Q550	Q542-N546 PolarHBondContact NE2-ND2 2.85Å; Q542-N546 PolarHBondContact O-N 3.46Å; Q542-N546 VanDerWaalsContact O-N 3.12Å; Q542-N546 PolarHBondContact O-ND2 2.97Å; Q542-N546 VanDerWaalsContact O-ND2 3.08Å; I543-N546 PolarHBondContact O-N 3.48Å; I543-N546 VanDerWaalsContact O-N 3.15Å; Q544-N546 VanDerWaalsContact C-N 3.35Å; Q544-N546 PolarHBondContact O-N 2.92Å; N546-R549 PolarHBondContact O-N 3.18Å; N546-Q550 WeakPolarHBondContact O-CG 3.1Å; N546-Q550 PolarHBondContact O-N 2.89Å
547	L	94.9	Very high	88.9	Confident	14 Å²	14	81 Å²	81	7%	0.073	38%	0.376	C	S	.	.	H	α-helix	trans	-65.8	-43.5	177.3	-69.9	174.5	0	0	0	111.9	I543 Q544 R549 Q550 Q551 I607 Q610 L611 N614	I543-L547 HydrophobicContact CG2-CD1 3.71Å; I543-L547 HydrophobicContact CG2-CG 4.13Å; I543-L547 WeakPolarHBondContact O-CG 3.46Å; I543-L547 PolarHBondContact O-N 3.13Å; Q544-L547 PolarHBondContact O-N 2.65Å; L547-R549 VanDerWaalsContact C-N 3.29Å; L547-R549 PolarHBondContact O-N 3Å; L547-Q550 PolarHBondContact O-N 3.03Å; L547-Q551 PolarHBondContact O-N 3.09Å; L547-I607 HydrophobicContact CB-CG2 4.48Å; L547-I607 HydrophobicContact CD2-CD1 4.09Å; L547-I607 HydrophobicContact CD2-CG2 4.36Å; L547-Q610 HydrophobicContact CD1-CB 3.94Å; L547-Q610 HydrophobicContact CD2-CB 4.07Å; L547-Q610 VanDerWaalsContact CD2-OE1 3.28Å; L547-L611 HydrophobicContact CB-CD1 3.87Å; L547-L611 HydrophobicContact CB-CG 3.83Å; L547-L611 HydrophobicContact CD1-CG 4.34Å; L547-N614 HydrophobicContact CD1-CB 4.4Å
548	V	95.1	Very high	90.5	Very high	56 Å²	56	78.2 Å²	78.2	34%	0.339	36%	0.362	S	S	.	.	H	α-helix	trans	-60.9	-40.6	175.2	172	0	0	0	0	110.8	Q544 Q550 Q551 N552 L611	Q544-V548 WeakPolarHBondContact O-CG2 3.38Å; Q544-V548 PolarHBondContact O-N 3.19Å; V548-Q550 PolarHBondContact O-N 2.7Å; V548-Q551 PolarHBondContact O-N 2.78Å; V548-N552 PolarHBondContact O-N 2.8Å; V548-N552 PolarHBondContact O-ND2 3.31Å; V548-L611 HydrophobicContact CG2-CD1 4.14Å; V548-L611 HydrophobicContact CG2-CD2 3.88Å
549	R	92.8	Very high	91.7	Very high	177 Å²	177	74.9 Å²	74.9	67%	0.668	35%	0.351	S	S	*	.	H	α-helix	trans	-62.7	-42.1	175.8	-171.8	178.1	179.2	-127.6	-2.4	112.1	F545 N546 L547 A553	F545-R549 WeakPolarHBondContact O-CB 3.45Å; F545-R549 PolarHBondContact O-N 2.97Å; N546-R549 PolarHBondContact O-N 3.18Å; L547-R549 VanDerWaalsContact C-N 3.29Å; L547-R549 PolarHBondContact O-N 3Å; R549-A553 PolarHBondContact O-N 3Å
550	Q	94.6	Very high	92.6	Very high	104 Å²	104	72 Å²	72	49%	0.486	34%	0.344	S	S	.	.	H	α-helix	trans	-67.3	-41.1	175.8	-72.5	-177	27.2	0	0	112.2	N546 L547 V548 N552 A553 L554 I607	N546-Q550 WeakPolarHBondContact O-CG 3.1Å; N546-Q550 PolarHBondContact O-N 2.89Å; L547-Q550 PolarHBondContact O-N 3.03Å; V548-Q550 PolarHBondContact O-N 2.7Å; Q550-N552 PolarHBondContact O-N 3.46Å; Q550-A553 PolarHBondContact O-N 3.31Å; Q550-L554 WeakPolarHBondContact O-CG 3.34Å; Q550-L554 PolarHBondContact O-N 3.31Å; Q550-I607 HydrophobicContact CB-CD1 4.49Å; Q550-I607 VanDerWaalsContact OE1-CD1 3.28Å
551	Q	97	Very high	93.2	Very high	39 Å²	39	71.8 Å²	71.8	18%	0.182	34%	0.344	C	S	.	.	H	α-helix	trans	-55.2	-51.5	175	-175.6	-173	-12.1	0	0	110.9	L547 V548 A553 L554 E555 L604 I607 L611	L547-Q551 PolarHBondContact O-N 3.09Å; V548-Q551 PolarHBondContact O-N 2.78Å; Q551-A553 VanDerWaalsContact C-N 3.26Å; Q551-A553 PolarHBondContact O-N 3.47Å; Q551-L554 PolarHBondContact O-N 2.84Å; Q551-E555 PolarHBondContact NE2-OE1 3.2Å; Q551-E555 WeakPolarHBondContact O-CG 3.38Å; Q551-E555 PolarHBondContact O-N 3.27Å; Q551-L604 HydrophobicContact CB-CD1 4.45Å; Q551-L604 HydrophobicContact CG-CD1 3.63Å; Q551-I607 HydrophobicContact CB-CG2 4.06Å; Q551-L611 HydrophobicContact CB-CD1 4.44Å
552	N	93	Very high	94	Very high	69 Å²	69	72.3 Å²	72.3	37%	0.369	34%	0.339	S	S	.	.	H	α-helix	trans	-62.5	-32.3	-179.6	-71.7	-26.5	0	0	0	112.8	V548 Q550 R556	V548-N552 PolarHBondContact O-N 2.8Å; V548-N552 PolarHBondContact O-ND2 3.31Å; Q550-N552 PolarHBondContact O-N 3.46Å; N552-R556 WeakPolarHBondContact O-CG 3.41Å; N552-R556 PolarHBondContact O-N 2.59Å
553	A	94	Very high	94.6	Very high	32 Å²	32	75.9 Å²	75.9	26%	0.264	35%	0.348	S	S	.	.	H	α-helix	trans	-69.6	-45.6	175.2	0	0	0	0	0	111.9	R549 Q550 Q551 E555 R556 E557	R549-A553 PolarHBondContact O-N 3Å; Q550-A553 PolarHBondContact O-N 3.31Å; Q551-A553 VanDerWaalsContact C-N 3.26Å; Q551-A553 PolarHBondContact O-N 3.47Å; A553-E555 PolarHBondContact O-N 3.09Å; A553-R556 PolarHBondContact O-N 2.9Å; A553-E557 PolarHBondContact O-N 3.31Å; A553-E557 VanDerWaalsContact O-N 3.16Å
554	L	96.3	Very high	94.8	Very high	11 Å²	11	76.4 Å²	76.4	6%	0.058	35%	0.354	C	S	.	.	H	α-helix	trans	-62.1	-41.8	177.8	-73.2	167.6	0	0	0	112.3	Q550 Q551 R556 E557 L558 R600 Q603 L604 I607	Q550-L554 WeakPolarHBondContact O-CG 3.34Å; Q550-L554 PolarHBondContact O-N 3.31Å; Q551-L554 PolarHBondContact O-N 2.84Å; L554-R556 PolarHBondContact O-N 3.22Å; L554-E557 PolarHBondContact O-N 3.33Å; L554-L558 WeakPolarHBondContact O-CB 3.4Å; L554-L558 PolarHBondContact O-N 3.19Å; L554-R600 HydrophobicContact CD2-CG 3.8Å; L554-Q603 HydrophobicContact CD1-CB 4.26Å; L554-Q603 HydrophobicContact CD2-CB 3.98Å; L554-L604 HydrophobicContact CB-CB 4.32Å; L554-L604 HydrophobicContact CB-CD1 4.02Å; L554-L604 HydrophobicContact CD1-CB 4.46Å; L554-I607 HydrophobicContact CD1-CB 4.4Å; L554-I607 HydrophobicContact CD1-CG1 3.73Å
555	E	96.5	Very high	94.9	Very high	64 Å²	64	77.6 Å²	77.6	30%	0.299	36%	0.358	S	S	.	.	H	α-helix	trans	-63	-39.4	178	-73.1	178.1	176.2	0	0	112.3	Q551 A553 A559 L604 R608	Q551-E555 PolarHBondContact NE2-OE1 3.2Å; Q551-E555 WeakPolarHBondContact O-CG 3.38Å; Q551-E555 PolarHBondContact O-N 3.27Å; A553-E555 PolarHBondContact O-N 3.09Å; E555-A559 WeakPolarHBondContact O-CB 3.35Å; E555-A559 PolarHBondContact O-N 2.92Å; E555-L604 HydrophobicContact CG-CD1 3.75Å; E555-L604 HydrophobicContact CG-CD2 3.72Å; E555-L604 HydrophobicContact CG-CG 4.41Å; E555-R608 IonicContact OE1-CZ 3.83Å; E555-R608 IonicContact OE1-NE 3.31Å; E555-R608 IonicContact OE1-NH2 3.61Å; E555-R608 PolarHBondContact OE1-NH2 2.9Å
556	R	93.9	Very high	95.1	Very high	166 Å²	166	78.9 Å²	78.9	63%	0.626	36%	0.363	S	S	*	.	H	α-helix	trans	-64.7	-45	175.4	-75.3	-171.2	-63.9	-97.5	1.4	112.4	N552 A553 L554 A559 Q560	N552-R556 WeakPolarHBondContact O-CG 3.41Å; N552-R556 PolarHBondContact O-N 2.59Å; A553-R556 PolarHBondContact O-N 2.9Å; L554-R556 PolarHBondContact O-N 3.22Å; R556-A559 PolarHBondContact O-N 2.81Å; R556-Q560 PolarHBondContact O-N 3.32Å
557	E	94.7	Very high	95.1	Very high	81 Å²	81	79.5 Å²	79.5	38%	0.379	37%	0.373	S	S	.	.	H	α-helix	trans	-65.7	-40.3	178.5	-74	-175.9	-145.8	0	0	112.4	A553 L554 A559 Q560 L561 R600	A553-E557 PolarHBondContact O-N 3.31Å; A553-E557 VanDerWaalsContact O-N 3.16Å; L554-E557 PolarHBondContact O-N 3.33Å; E557-A559 VanDerWaalsContact C-N 3.32Å; E557-A559 PolarHBondContact O-N 2.88Å; E557-Q560 PolarHBondContact O-N 2.62Å; E557-L561 WeakPolarHBondContact O-CG 3.33Å; E557-L561 PolarHBondContact O-N 2.9Å; E557-R600 HydrophobicContact CB-CG 4.48Å; E557-R600 IonicContact OE1-CZ 3.22Å; E557-R600 IonicContact OE1-NH2 3.05Å; E557-R600 PolarHBondContact OE1-NH2 3.44Å; E557-R600 IonicContact OE2-CZ 2.84Å; E557-R600 IonicContact OE2-NE 3.76Å; E557-R600 PolarHBondContact OE2-NE 3.25Å; E557-R600 IonicContact OE2-NH2 3.96Å; E557-R600 PolarHBondContact OE2-NH2 3.36Å
558	L	96.5	Very high	94.8	Very high	8 Å²	8	79.9 Å²	79.9	4%	0.042	38%	0.376	C	S	.	.	H	α-helix	trans	-61.9	-41.2	175.4	-170.2	75	0	0	0	111.5	L554 Q560 L561 R562 I597 R600 Q601 L604	L554-L558 WeakPolarHBondContact O-CB 3.4Å; L554-L558 PolarHBondContact O-N 3.19Å; L558-Q560 VanDerWaalsContact C-N 3.34Å; L558-Q560 PolarHBondContact O-N 2.85Å; L558-L561 PolarHBondContact O-N 2.97Å; L558-R562 WeakPolarHBondContact O-CB 3.18Å; L558-R562 VanDerWaalsContact O-CG 3.27Å; L558-R562 WeakPolarHBondContact O-CG 3.45Å; L558-R562 PolarHBondContact O-N 3.29Å; L558-I597 HydrophobicContact CD1-CG2 3.95Å; L558-R600 HydrophobicContact CD1-CB 4.4Å; L558-Q601 HydrophobicContact CD1-CB 4.27Å; L558-L604 HydrophobicContact CD2-CD2 4.33Å
559	A	94.2	Very high	94.7	Very high	42 Å²	42	78.4 Å²	78.4	35%	0.347	37%	0.368	S	S	.	.	H	α-helix	trans	-61.5	-42.1	174.4	0	0	0	0	0	111.8	E555 R556 E557 R562 R563	E555-A559 WeakPolarHBondContact O-CB 3.35Å; E555-A559 PolarHBondContact O-N 2.92Å; R556-A559 PolarHBondContact O-N 2.81Å; E557-A559 VanDerWaalsContact C-N 3.32Å; E557-A559 PolarHBondContact O-N 2.88Å; A559-R562 PolarHBondContact O-N 3.01Å; A559-R563 WeakPolarHBondContact O-CG 3.39Å; A559-R563 PolarHBondContact O-N 2.87Å; A559-R563 VanDerWaalsContact O-N 3.08Å
560	Q	94.8	Very high	94.6	Very high	112 Å²	112	73.2 Å²	73.2	52%	0.523	36%	0.359	S	S	.	.	H	α-helix	trans	-65.3	-47.7	177.3	-173.6	65.9	-2.9	0	0	111.9	R556 E557 L558 R562 R563 T564	R556-Q560 PolarHBondContact O-N 3.32Å; E557-Q560 PolarHBondContact O-N 2.62Å; L558-Q560 VanDerWaalsContact C-N 3.34Å; L558-Q560 PolarHBondContact O-N 2.85Å; Q560-R562 VanDerWaalsContact C-N 3.32Å; Q560-R562 PolarHBondContact O-N 3.13Å; Q560-R563 WeakPolarHBondContact O-CB 3.36Å; Q560-R563 PolarHBondContact O-N 2.55Å; Q560-R563 VanDerWaalsContact O-N 3.14Å; Q560-T564 PolarHBondContact O-N 3.44Å; Q560-T564 PolarHBondContact O-OG1 2.88Å; Q560-T564 VanDerWaalsContact O-OG1 3.11Å
561	L	97.7	Very high	94.3	Very high	15 Å²	15	73.2 Å²	73.2	8%	0.079	36%	0.357	C	S	.	.	H	α-helix	trans	-60.4	-40.8	177.7	-70.6	170.8	0	0	0	112	E557 L558 R563 T564 K565 L593 R596 I597 R600	E557-L561 WeakPolarHBondContact O-CG 3.33Å; E557-L561 PolarHBondContact O-N 2.9Å; L558-L561 PolarHBondContact O-N 2.97Å; L561-R563 PolarHBondContact O-N 3.32Å; L561-T564 PolarHBondContact O-N 2.88Å; L561-K565 WeakPolarHBondContact O-CB 3.29Å; L561-K565 PolarHBondContact O-N 3.29Å; L561-L593 HydrophobicContact CD2-CD2 4.12Å; L561-R596 HydrophobicContact CD1-CB 4.23Å; L561-R596 HydrophobicContact CD2-CB 4.45Å; L561-I597 HydrophobicContact CB-CD1 4.21Å; L561-I597 HydrophobicContact CB-CG1 3.58Å; L561-I597 HydrophobicContact CD1-CG1 4.38Å; L561-R600 HydrophobicContact CD1-CB 4.46Å
562	R	97.4	Very high	94	Very high	125 Å²	125	72.1 Å²	72.1	47%	0.472	35%	0.352	S	S	.	.	H	α-helix	trans	-63.9	-37.4	175.6	-74.7	174.5	177.3	178.8	1.3	112.3	L558 A559 Q560 K566 I597	L558-R562 WeakPolarHBondContact O-CB 3.18Å; L558-R562 VanDerWaalsContact O-CG 3.27Å; L558-R562 WeakPolarHBondContact O-CG 3.45Å; L558-R562 PolarHBondContact O-N 3.29Å; A559-R562 PolarHBondContact O-N 3.01Å; Q560-R562 VanDerWaalsContact C-N 3.32Å; Q560-R562 PolarHBondContact O-N 3.13Å; R562-K566 WeakPolarHBondContact O-CG 3.33Å; R562-K566 PolarHBondContact O-N 2.75Å; R562-I597 HydrophobicContact CG-CD1 4.16Å
563	R	95.5	Very high	93.7	Very high	177 Å²	177	77.2 Å²	77.2	67%	0.668	37%	0.366	S	S	*	.	H	α-helix	trans	-65.6	-46.7	174.1	-72.9	173.7	-176	-176.5	0.8	111.4	A559 Q560 L561 K565 K566 S567	A559-R563 WeakPolarHBondContact O-CG 3.39Å; A559-R563 PolarHBondContact O-N 2.87Å; A559-R563 VanDerWaalsContact O-N 3.08Å; Q560-R563 WeakPolarHBondContact O-CB 3.36Å; Q560-R563 PolarHBondContact O-N 2.55Å; Q560-R563 VanDerWaalsContact O-N 3.14Å; L561-R563 PolarHBondContact O-N 3.32Å; R563-K565 PolarHBondContact O-N 3.29Å; R563-K566 PolarHBondContact O-N 3.18Å; R563-S567 PolarHBondContact O-N 3.44Å
564	T	94.4	Very high	93.4	Very high	57 Å²	57	81.7 Å²	81.7	35%	0.35	38%	0.382	S	S	.	.	H	α-helix	trans	-61	-45.8	176.6	-50	0	0	0	0	111.2	Q560 L561 K566 S567 T568 L593	Q560-T564 PolarHBondContact O-N 3.44Å; Q560-T564 PolarHBondContact O-OG1 2.88Å; Q560-T564 VanDerWaalsContact O-OG1 3.11Å; L561-T564 PolarHBondContact O-N 2.88Å; T564-K566 VanDerWaalsContact C-N 3.35Å; T564-K566 PolarHBondContact O-N 3.2Å; T564-S567 PolarHBondContact O-N 2.58Å; T564-S567 VanDerWaalsContact O-N 3.15Å; T564-T568 PolarHBondContact O-N 2.79Å; T564-T568 PolarHBondContact O-OG1 2.87Å; T564-T568 VanDerWaalsContact O-OG1 3.08Å; T564-L593 HydrophobicContact CG2-CD1 3.99Å; T564-L593 HydrophobicContact CG2-CD2 4.11Å
565	K	96.5	Very high	93	Very high	77 Å²	77	83.2 Å²	83.2	34%	0.335	39%	0.389	S	S	.	.	H	α-helix	trans	-58.3	-42.8	175.4	176.9	171.7	173.3	167.7	0	112.5	L561 R563 S569 L590 L593 S594 I597	L561-K565 WeakPolarHBondContact O-CB 3.29Å; L561-K565 PolarHBondContact O-N 3.29Å; R563-K565 PolarHBondContact O-N 3.29Å; K565-S569 VanDerWaalsContact O-CB 3.25Å; K565-S569 WeakPolarHBondContact O-CB 3.45Å; K565-S569 PolarHBondContact O-N 3.05Å; K565-L590 HydrophobicContact CG-CD1 3.89Å; K565-L593 HydrophobicContact CB-CB 4.44Å; K565-S594 WeakPolarHBondContact CE-OG 3.43Å; K565-S594 PolarHBondContact NZ-OG 3.49Å; K565-I597 HydrophobicContact CB-CD1 3.89Å; K565-I597 HydrophobicContact CD-CD1 3.56Å; K565-I597 HydrophobicContact CG-CD1 4.34Å
566	K	94.6	Very high	92.7	Very high	161 Å²	161	88 Å²	88	70%	0.7	40%	0.404	S	S	*	.	H	α-helix	trans	-61.7	-44.1	175.4	-78.3	-177.9	179.7	-172.8	0	111.6	R562 R563 T564 S570	R562-K566 WeakPolarHBondContact O-CG 3.33Å; R562-K566 PolarHBondContact O-N 2.75Å; R563-K566 PolarHBondContact O-N 3.18Å; T564-K566 VanDerWaalsContact C-N 3.35Å; T564-K566 PolarHBondContact O-N 3.2Å; K566-S570 WeakPolarHBondContact O-CB 3.44Å; K566-S570 PolarHBondContact O-N 3.27Å
567	S	92.2	Very high	92.5	Very high	82 Å²	82	88.9 Å²	88.9	57%	0.573	41%	0.413	S	S	*	.	H	α-helix	trans	-63	-49.4	177.7	-177.9	0	0	0	0	112	R563 T564 S569 S570 K571	R563-S567 PolarHBondContact O-N 3.44Å; T564-S567 PolarHBondContact O-N 2.58Å; T564-S567 VanDerWaalsContact O-N 3.15Å; S567-S569 PolarHBondContact O-N 2.83Å; S567-S570 PolarHBondContact O-N 3.43Å; S567-K571 PolarHBondContact O-N 2.73Å
568	T	90	Very high	92.2	Very high	22 Å²	22	90.2 Å²	90.2	14%	0.135	42%	0.423	C	S	.	.	H	α-helix	trans	-62.7	-41.7	177.9	-50.6	0	0	0	0	112	T564 K571 Q572 L590	T564-T568 PolarHBondContact O-N 2.79Å; T564-T568 PolarHBondContact O-OG1 2.87Å; T564-T568 VanDerWaalsContact O-OG1 3.08Å; T568-K571 WeakPolarHBondContact O-CB 3.46Å; T568-K571 PolarHBondContact O-N 3.3Å; T568-Q572 WeakPolarHBondContact O-CG 3.14Å; T568-Q572 PolarHBondContact O-N 3.33Å; T568-L590 HydrophobicContact CG2-CD1 4.44Å
569	S	92.3	Very high	91.7	Very high	25 Å²	25	93.3 Å²	93.3	18%	0.175	46%	0.457	C	S	.	.	H	α-helix	trans	-64.3	-39.3	175.7	179.1	0	0	0	0	112.6	K565 S567 Q572 R573	K565-S569 VanDerWaalsContact O-CB 3.25Å; K565-S569 WeakPolarHBondContact O-CB 3.45Å; K565-S569 PolarHBondContact O-N 3.05Å; S567-S569 PolarHBondContact O-N 2.83Å; S569-Q572 PolarHBondContact O-N 3.44Å; S569-R573 PolarHBondContact O-N 3.25Å; S569-R573 PolarHBondContact OG-NH2 3.2Å
570	S	90.3	Very high	91.5	Very high	68 Å²	68	96.1 Å²	96.1	48%	0.476	47%	0.465	S	S	.	.	H	α-helix	trans	-64.3	-43.4	175.9	-164.6	0	0	0	0	110.9	K566 S567 Q572 R573 Q574	K566-S570 WeakPolarHBondContact O-CB 3.44Å; K566-S570 PolarHBondContact O-N 3.27Å; S567-S570 PolarHBondContact O-N 3.43Å; S570-Q572 PolarHBondContact O-N 2.84Å; S570-R573 PolarHBondContact O-N 3.35Å; S570-Q574 PolarHBondContact O-N 2.84Å
571	K	89.4	Confident	91.1	Very high	104 Å²	104	98.7 Å²	98.7	45%	0.452	48%	0.476	S	S	.	.	H	α-helix	trans	-58.8	-45.3	176.7	-165.6	-165.6	175.2	-146.7	0	111.4	S567 T568 Q574 M575 D586	S567-K571 PolarHBondContact O-N 2.73Å; T568-K571 WeakPolarHBondContact O-CB 3.46Å; T568-K571 PolarHBondContact O-N 3.3Å; K571-Q574 PolarHBondContact O-N 2.99Å; K571-M575 HydrophobicContact CD-CE 4.14Å; K571-M575 HydrophobicContact CG-CE 4.04Å; K571-M575 WeakPolarHBondContact O-CG 3.39Å; K571-M575 PolarHBondContact O-N 3.17Å; K571-M575 VanDerWaalsContact O-N 3.08Å; K571-D586 IonicContact NZ-OD1 3.41Å; K571-D586 IonicContact NZ-OD2 2.72Å; K571-D586 PolarHBondContact NZ-OD2 3.4Å
572	Q	89.9	Confident	90.6	Very high	17 Å²	17	98.1 Å²	98.1	8%	0.079	47%	0.474	C	S	.	.	H	α-helix	trans	-64.2	-40.8	176.5	-71.7	-175.8	2.4	0	0	113.1	T568 S569 S570 Q574 M575 R576 P582 D586	T568-Q572 WeakPolarHBondContact O-CG 3.14Å; T568-Q572 PolarHBondContact O-N 3.33Å; S569-Q572 PolarHBondContact O-N 3.44Å; S570-Q572 PolarHBondContact O-N 2.84Å; Q572-Q574 VanDerWaalsContact C-N 3.3Å; Q572-Q574 PolarHBondContact O-N 3.01Å; Q572-M575 PolarHBondContact O-N 3.39Å; Q572-R576 WeakPolarHBondContact O-CG 3.33Å; Q572-R576 PolarHBondContact O-N 3.48Å; Q572-P582 HydrophobicContact CB-CG 4.25Å; Q572-P582 HydrophobicContact CG-CB 4.12Å; Q572-P582 HydrophobicContact CG-CG 4.36Å; Q572-D586 VanDerWaalsContact NE2-C 3.3Å; Q572-D586 PolarHBondContact NE2-O 3.47Å
573	R	87.1	Confident	90.1	Very high	176 Å²	176	95.5 Å²	95.5	66%	0.664	47%	0.473	S	S	*	.	H	α-helix	trans	-62	-39.7	175.5	-78.2	-176.5	-122	-160.1	-4.3	111.9	S569 S570 R576 K577	S569-R573 PolarHBondContact O-N 3.25Å; S569-R573 PolarHBondContact OG-NH2 3.2Å; S570-R573 PolarHBondContact O-N 3.35Å; R573-R576 PolarHBondContact O-N 3.08Å; R573-K577 WeakPolarHBondContact O-CB 3.24Å; R573-K577 PolarHBondContact O-N 3.07Å
574	Q	87.9	Confident	89.7	Confident	126 Å²	126	94 Å²	94	59%	0.589	47%	0.474	S	S	*	.	H	α-helix	trans	-68.9	-37.4	179.6	-164.4	162	1.8	0	0	112.1	S570 K571 Q572 K577 N578	S570-Q574 PolarHBondContact O-N 2.84Å; K571-Q574 PolarHBondContact O-N 2.99Å; Q572-Q574 VanDerWaalsContact C-N 3.3Å; Q572-Q574 PolarHBondContact O-N 3.01Å; Q574-K577 PolarHBondContact O-N 3.16Å; Q574-N578 PolarHBondContact O-N 3.16Å; Q574-N578 PolarHBondContact O-OD1 3.45Å
575	M	87.9	Confident	89.4	Confident	42 Å²	42	94.5 Å²	94.5	21%	0.207	48%	0.483	C	S	.	.	H	α-helix	trans	-62.9	-46.9	172.1	-68.1	-174.5	-168.9	0	0	112	K571 Q572 K577 N578 G579 I580	K571-M575 HydrophobicContact CD-CE 4.14Å; K571-M575 HydrophobicContact CG-CE 4.04Å; K571-M575 WeakPolarHBondContact O-CG 3.39Å; K571-M575 PolarHBondContact O-N 3.17Å; K571-M575 VanDerWaalsContact O-N 3.08Å; Q572-M575 PolarHBondContact O-N 3.39Å; M575-K577 VanDerWaalsContact C-N 3.29Å; M575-K577 PolarHBondContact O-N 3.05Å; M575-N578 CarbonylContact O-C 3.46Å; M575-N578 WeakPolarHBondContact O-CA 3.42Å; M575-N578 PolarHBondContact O-N 3.17Å; M575-G579 PolarHBondContact O-N 2.82Å; M575-I580 CarbonylContact C-O 3.51Å; M575-I580 HydrophobicContact CB-CB 4.43Å; M575-I580 PolarHBondContact O-N 3.33Å; M575-I580 VanDerWaalsContact O-O 3.13Å
576	R	90.1	Very high	88.8	Confident	165 Å²	165	92.3 Å²	92.3	62%	0.623	48%	0.475	S	S	*	.	H	α-helix	trans	-60.8	-37.9	176.9	-71.9	-178.6	176.6	-168	-1.8	112.3	Q572 R573 N578 G579 I580 P582	Q572-R576 WeakPolarHBondContact O-CG 3.33Å; Q572-R576 PolarHBondContact O-N 3.48Å; R573-R576 PolarHBondContact O-N 3.08Å; R576-N578 PolarHBondContact O-N 3.43Å; R576-G579 PolarHBondContact O-N 3.13Å; R576-G579 VanDerWaalsContact O-N 3.12Å; R576-I580 PolarHBondContact N-O 2.82Å; R576-P582 HydrophobicContact CG-CG 3.95Å
577	K	88.5	Confident	88.5	Confident	184 Å²	184	88.3 Å²	88.3	80%	0.8	46%	0.459	S	S	*	.	H	α-helix	trans	-63.2	-30.4	174.4	-168	178.4	-179.8	-177.3	0	112.3	R573 Q574 M575 G579	R573-K577 WeakPolarHBondContact O-CB 3.24Å; R573-K577 PolarHBondContact O-N 3.07Å; Q574-K577 PolarHBondContact O-N 3.16Å; M575-K577 VanDerWaalsContact C-N 3.29Å; M575-K577 PolarHBondContact O-N 3.05Å; K577-G579 VanDerWaalsContact C-N 3.29Å
578	N	89.2	Confident	88.4	Confident	110 Å²	110	89.6 Å²	89.6	59%	0.588	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	10.5	177.1	-64.6	-0.1	0	0	0	113	Q574 M575 R576 I580	Q574-N578 PolarHBondContact O-N 3.16Å; Q574-N578 PolarHBondContact O-OD1 3.45Å; M575-N578 CarbonylContact O-C 3.46Å; M575-N578 WeakPolarHBondContact O-CA 3.42Å; M575-N578 PolarHBondContact O-N 3.17Å; R576-N578 PolarHBondContact O-N 3.43Å; N578-I580 PolarHBondContact O-N 3.42Å
579	G	86.2	Confident	88.4	Confident	73 Å²	73	90.3 Å²	90.3	75%	0.753	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	11.6	-179.1	0	0	0	0	0	114.8	M575 R576 K577	M575-G579 PolarHBondContact O-N 2.82Å; R576-G579 PolarHBondContact O-N 3.13Å; R576-G579 VanDerWaalsContact O-N 3.12Å; K577-G579 VanDerWaalsContact C-N 3.29Å
580	I	89.1	Confident	88.3	Confident	101 Å²	101	90.7 Å²	90.7	52%	0.518	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-99.3	123.7	179.6	-58.5	171.1	0	0	0	108.8	M575 R576 N578	M575-I580 CarbonylContact C-O 3.51Å; M575-I580 HydrophobicContact CB-CB 4.43Å; M575-I580 PolarHBondContact O-N 3.33Å; M575-I580 VanDerWaalsContact O-O 3.13Å; R576-I580 PolarHBondContact N-O 2.82Å; N578-I580 PolarHBondContact O-N 3.42Å
581	E	87.3	Confident	88.4	Confident	165 Å²	165	90.2 Å²	90.2	77%	0.771	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-70.3	127.7	175	-155.6	177.4	-167.8	0	0	110.1
582	P	85.8	Confident	88.7	Confident	4 Å²	4	89.5 Å²	89.5	3%	0.026	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-60.7	132.2	-179	-20.2	29.9	0	0	0	111	Q572 R576 Q587	Q572-P582 HydrophobicContact CB-CG 4.25Å; Q572-P582 HydrophobicContact CG-CB 4.12Å; Q572-P582 HydrophobicContact CG-CG 4.36Å; R576-P582 HydrophobicContact CG-CG 3.95Å; P582-Q587 HydrophobicContact CB-CG 4.34Å; P582-Q587 PolarHBondContact O-NE2 3.35Å
583	P	88.7	Confident	88.9	Confident	69 Å²	69	89.5 Å²	89.5	45%	0.448	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-54.4	145.5	178.4	-25	32.5	0	0	0	112.2	A585 D586 Q587	P583-A585 PolarHBondContact O-N 2.78Å; P583-D586 PolarHBondContact O-N 3.14Å; P583-Q587 PolarHBondContact O-N 2.79Å
584	Q	86.4	Confident	89.3	Confident	147 Å²	147	83 Å²	83	69%	0.687	45%	0.447	S	S	*	.	H	α-helix	trans	-52.6	-34.2	-179.8	-159.1	-179.7	22.6	0	0	112.5	Q587 Q588	Q584-Q587 PolarHBondContact O-N 3.04Å; Q584-Q588 WeakPolarHBondContact O-CG 3.41Å; Q584-Q588 PolarHBondContact O-N 3.33Å
585	A	86.9	Confident	89.7	Confident	66 Å²	66	83.5 Å²	83.5	55%	0.545	45%	0.449	S	S	.	.	H	α-helix	trans	-62.3	-41.4	174.3	0	0	0	0	0	113.6	P583 Q587 Q588 A589	P583-A585 PolarHBondContact O-N 2.78Å; A585-Q587 VanDerWaalsContact C-N 3.33Å; A585-Q588 PolarHBondContact O-N 3.2Å; A585-A589 WeakPolarHBondContact O-CB 3.48Å; A585-A589 PolarHBondContact O-N 2.86Å
586	D	85	Confident	90.1	Very high	32 Å²	32	88.7 Å²	88.7	17%	0.171	47%	0.467	C	S	.	.	H	α-helix	trans	-70.2	-33.9	177.8	-88.6	3.7	0	0	0	110.3	K571 Q572 P583 A589 L590	K571-D586 IonicContact NZ-OD1 3.41Å; K571-D586 IonicContact NZ-OD2 2.72Å; K571-D586 PolarHBondContact NZ-OD2 3.4Å; Q572-D586 VanDerWaalsContact NE2-C 3.3Å; Q572-D586 PolarHBondContact NE2-O 3.47Å; P583-D586 PolarHBondContact O-N 3.14Å; D586-A589 PolarHBondContact O-N 3.46Å; D586-L590 PolarHBondContact O-N 3.23Å; D586-L590 VanDerWaalsContact O-N 3.16Å
587	Q	87.7	Confident	90.5	Very high	77 Å²	77	81.9 Å²	81.9	36%	0.36	44%	0.442	S	S	.	.	H	α-helix	trans	-65.6	-48.1	174.4	-58.2	-178	20.3	0	0	111.4	P582 P583 Q584 A585 A589 L590 A591	P582-Q587 HydrophobicContact CB-CG 4.34Å; P582-Q587 PolarHBondContact O-NE2 3.35Å; P583-Q587 PolarHBondContact O-N 2.79Å; Q584-Q587 PolarHBondContact O-N 3.04Å; A585-Q587 VanDerWaalsContact C-N 3.33Å; Q587-A589 VanDerWaalsContact C-N 3.33Å; Q587-A589 PolarHBondContact O-N 3Å; Q587-L590 PolarHBondContact O-N 3.39Å; Q587-A591 PolarHBondContact O-N 3.31Å; Q587-A591 VanDerWaalsContact O-N 3.11Å
588	Q	90.6	Very high	90.9	Very high	109 Å²	109	75.6 Å²	75.6	51%	0.509	42%	0.424	S	S	.	.	H	α-helix	trans	-60.8	-39.9	174	-73.7	175.7	-5.3	0	0	111.9	Q584 A585 L590 A591 N592	Q584-Q588 WeakPolarHBondContact O-CG 3.41Å; Q584-Q588 PolarHBondContact O-N 3.33Å; A585-Q588 PolarHBondContact O-N 3.2Å; Q588-L590 VanDerWaalsContact C-N 3.31Å; Q588-L590 PolarHBondContact O-N 2.83Å; Q588-A591 PolarHBondContact O-N 3.4Å; Q588-N592 WeakPolarHBondContact O-CB 3.05Å; Q588-N592 PolarHBondContact O-N 3.4Å; Q588-N592 PolarHBondContact O-OD1 3.17Å
589	A	89.9	Confident	91.2	Very high	36 Å²	36	74 Å²	74	30%	0.298	41%	0.414	S	S	.	.	H	α-helix	trans	-60.9	-39.3	176.6	0	0	0	0	0	112.3	A585 D586 Q587 L593	A585-A589 WeakPolarHBondContact O-CB 3.48Å; A585-A589 PolarHBondContact O-N 2.86Å; D586-A589 PolarHBondContact O-N 3.46Å; Q587-A589 VanDerWaalsContact C-N 3.33Å; Q587-A589 PolarHBondContact O-N 3Å; A589-L593 WeakPolarHBondContact O-CB 3.45Å; A589-L593 WeakPolarHBondContact O-CG 3.2Å; A589-L593 PolarHBondContact O-N 3.47Å
590	L	90.4	Very high	91.7	Very high	33 Å²	33	73.8 Å²	73.8	17%	0.173	39%	0.39	C	S	.	.	H	α-helix	trans	-69.7	-37	177	-171.1	67.9	0	0	0	112.5	K565 T568 D586 Q587 Q588 S594	K565-L590 HydrophobicContact CG-CD1 3.89Å; T568-L590 HydrophobicContact CG2-CD1 4.44Å; D586-L590 PolarHBondContact O-N 3.23Å; D586-L590 VanDerWaalsContact O-N 3.16Å; Q587-L590 PolarHBondContact O-N 3.39Å; Q588-L590 VanDerWaalsContact C-N 3.31Å; Q588-L590 PolarHBondContact O-N 2.83Å; L590-S594 WeakPolarHBondContact O-CB 3.08Å; L590-S594 PolarHBondContact O-N 3.49Å; L590-S594 VanDerWaalsContact O-N 3.08Å; L590-S594 PolarHBondContact O-OG 2.84Å
591	A	92.9	Very high	92.1	Very high	58 Å²	58	71.2 Å²	71.2	48%	0.479	38%	0.376	S	S	.	.	H	α-helix	trans	-63	-51.6	173.1	0	0	0	0	0	110.9	Q587 Q588 L593 S594 E595	Q587-A591 PolarHBondContact O-N 3.31Å; Q587-A591 VanDerWaalsContact O-N 3.11Å; Q588-A591 PolarHBondContact O-N 3.4Å; A591-L593 VanDerWaalsContact C-N 3.33Å; A591-L593 PolarHBondContact O-N 3.33Å; A591-S594 WeakPolarHBondContact O-CA 3.25Å; A591-S594 WeakPolarHBondContact O-CB 3.24Å; A591-S594 PolarHBondContact O-N 2.96Å; A591-E595 PolarHBondContact O-N 3.46Å
592	N	94.3	Very high	92.6	Very high	90 Å²	90	69.3 Å²	69.3	48%	0.481	37%	0.365	S	S	.	.	H	α-helix	trans	-59.3	-40.7	178	-68.3	-5.3	0	0	0	112.3	Q588 S594 E595 R596	Q588-N592 WeakPolarHBondContact O-CB 3.05Å; Q588-N592 PolarHBondContact O-N 3.4Å; Q588-N592 PolarHBondContact O-OD1 3.17Å; N592-S594 VanDerWaalsContact C-N 3.31Å; N592-S594 PolarHBondContact O-N 2.96Å; N592-E595 PolarHBondContact O-N 2.86Å; N592-R596 WeakPolarHBondContact O-CB 3.39Å; N592-R596 VanDerWaalsContact O-CG 3.3Å; N592-R596 WeakPolarHBondContact O-CG 3.35Å; N592-R596 PolarHBondContact O-N 2.91Å
593	L	95.3	Very high	93.1	Very high	17 Å²	17	71.6 Å²	71.6	9%	0.089	38%	0.375	C	S	.	.	H	α-helix	trans	-63.4	-38.3	174.5	-77.1	169.9	0	0	0	111.9	L561 T564 K565 A589 A591 I597	L561-L593 HydrophobicContact CD2-CD2 4.12Å; T564-L593 HydrophobicContact CG2-CD1 3.99Å; T564-L593 HydrophobicContact CG2-CD2 4.11Å; K565-L593 HydrophobicContact CB-CB 4.44Å; A589-L593 WeakPolarHBondContact O-CB 3.45Å; A589-L593 WeakPolarHBondContact O-CG 3.2Å; A589-L593 PolarHBondContact O-N 3.47Å; A591-L593 VanDerWaalsContact C-N 3.33Å; A591-L593 PolarHBondContact O-N 3.33Å; L593-I597 WeakPolarHBondContact O-CD1 3.33Å; L593-I597 WeakPolarHBondContact O-CG1 3.3Å; L593-I597 PolarHBondContact O-N 2.8Å
594	S	95	Very high	93.5	Very high	39 Å²	39	68.5 Å²	68.5	27%	0.273	36%	0.355	S	S	.	.	H	α-helix	trans	-67.4	-41.2	178.6	-60.7	0	0	0	0	111.6	K565 L590 A591 N592 I597 A598	K565-S594 WeakPolarHBondContact CE-OG 3.43Å; K565-S594 PolarHBondContact NZ-OG 3.49Å; L590-S594 WeakPolarHBondContact O-CB 3.08Å; L590-S594 PolarHBondContact O-N 3.49Å; L590-S594 VanDerWaalsContact O-N 3.08Å; L590-S594 PolarHBondContact O-OG 2.84Å; A591-S594 WeakPolarHBondContact O-CA 3.25Å; A591-S594 WeakPolarHBondContact O-CB 3.24Å; A591-S594 PolarHBondContact O-N 2.96Å; N592-S594 VanDerWaalsContact C-N 3.31Å; N592-S594 PolarHBondContact O-N 2.96Å; S594-I597 PolarHBondContact O-N 2.96Å; S594-A598 PolarHBondContact O-N 3.28Å; S594-A598 VanDerWaalsContact O-N 3.09Å
595	E	96.1	Very high	94	Very high	136 Å²	136	65 Å²	65	64%	0.636	34%	0.341	S	S	*	.	H	α-helix	trans	-64.1	-46.5	175	-172.5	177.6	-161.4	0	0	112	A591 N592 I597 A598 E599	A591-E595 PolarHBondContact O-N 3.46Å; N592-E595 PolarHBondContact O-N 2.86Å; E595-I597 VanDerWaalsContact C-N 3.3Å; E595-I597 PolarHBondContact O-N 2.84Å; E595-A598 WeakPolarHBondContact O-CB 3.48Å; E595-A598 PolarHBondContact O-N 2.95Å; E595-A598 VanDerWaalsContact O-N 3.08Å; E595-E599 PolarHBondContact O-N 3.29Å
596	R	97.2	Very high	94.4	Very high	152 Å²	152	68 Å²	68	57%	0.574	34%	0.338	S	S	*	.	H	α-helix	trans	-60.7	-37.9	176.5	-72.7	178	66.8	-172.5	2.5	112.9	L561 N592 R600	L561-R596 HydrophobicContact CD1-CB 4.23Å; L561-R596 HydrophobicContact CD2-CB 4.45Å; N592-R596 WeakPolarHBondContact O-CB 3.39Å; N592-R596 VanDerWaalsContact O-CG 3.3Å; N592-R596 WeakPolarHBondContact O-CG 3.35Å; N592-R596 PolarHBondContact O-N 2.91Å; R596-R600 WeakPolarHBondContact O-CB 3.31Å; R596-R600 PolarHBondContact O-N 3.38Å
597	I	97.9	Very high	95	Very high	22 Å²	22	67.2 Å²	67.2	11%	0.113	33%	0.334	C	S	.	.	H	α-helix	trans	-63.6	-44.3	174.3	-72.2	166.7	0	0	0	110.2	L558 L561 R562 K565 L593 S594 E595 Q601	L558-I597 HydrophobicContact CD1-CG2 3.95Å; L561-I597 HydrophobicContact CB-CD1 4.21Å; L561-I597 HydrophobicContact CB-CG1 3.58Å; L561-I597 HydrophobicContact CD1-CG1 4.38Å; R562-I597 HydrophobicContact CG-CD1 4.16Å; K565-I597 HydrophobicContact CB-CD1 3.89Å; K565-I597 HydrophobicContact CD-CD1 3.56Å; K565-I597 HydrophobicContact CG-CD1 4.34Å; L593-I597 WeakPolarHBondContact O-CD1 3.33Å; L593-I597 WeakPolarHBondContact O-CG1 3.3Å; L593-I597 PolarHBondContact O-N 2.8Å; S594-I597 PolarHBondContact O-N 2.96Å; E595-I597 VanDerWaalsContact C-N 3.3Å; E595-I597 PolarHBondContact O-N 2.84Å; I597-Q601 VanDerWaalsContact O-CB 3.22Å; I597-Q601 WeakPolarHBondContact O-CB 3.43Å; I597-Q601 PolarHBondContact O-N 3.4Å
598	A	96.7	Very high	95.5	Very high	51 Å²	51	68.5 Å²	68.5	42%	0.421	34%	0.335	S	S	.	.	H	α-helix	trans	-63.5	-43.2	178.7	0	0	0	0	0	111.9	S594 E595 Q601 K602	S594-A598 PolarHBondContact O-N 3.28Å; S594-A598 VanDerWaalsContact O-N 3.09Å; E595-A598 WeakPolarHBondContact O-CB 3.48Å; E595-A598 PolarHBondContact O-N 2.95Å; E595-A598 VanDerWaalsContact O-N 3.08Å; A598-Q601 PolarHBondContact O-N 2.87Å; A598-K602 WeakPolarHBondContact O-CG 3.4Å; A598-K602 PolarHBondContact O-N 2.81Å
599	E	95.9	Very high	95.7	Very high	78 Å²	78	70.1 Å²	70.1	36%	0.364	34%	0.341	S	S	.	.	H	α-helix	trans	-67.1	-44.8	178.8	-178	51.7	-143.2	0	0	112.2	E595 Q601 K602 Q603 R606	E595-E599 PolarHBondContact O-N 3.29Å; E599-Q601 VanDerWaalsContact C-N 3.29Å; E599-Q601 PolarHBondContact O-N 3.11Å; E599-K602 WeakPolarHBondContact O-CB 3.45Å; E599-K602 PolarHBondContact O-N 3.05Å; E599-Q603 WeakPolarHBondContact O-CG 3.38Å; E599-Q603 PolarHBondContact O-N 2.84Å; E599-Q603 PolarHBondContact OE1-NE2 3.23Å; E599-R606 IonicContact OE1-NH2 3.93Å; E599-R606 PolarHBondContact OE1-NH2 2.74Å
600	R	97	Very high	96	Very high	68 Å²	68	72.6 Å²	72.6	26%	0.257	35%	0.346	S	S	.	.	H	α-helix	trans	-67.7	-31.6	178.3	-145.6	62.6	161.1	144.8	1.5	111.9	L554 E557 L558 L561 R596 Q603 L604	L554-R600 HydrophobicContact CD2-CG 3.8Å; E557-R600 HydrophobicContact CB-CG 4.48Å; E557-R600 IonicContact OE1-CZ 3.22Å; E557-R600 IonicContact OE1-NH2 3.05Å; E557-R600 PolarHBondContact OE1-NH2 3.44Å; E557-R600 IonicContact OE2-CZ 2.84Å; E557-R600 IonicContact OE2-NE 3.76Å; E557-R600 PolarHBondContact OE2-NE 3.25Å; E557-R600 IonicContact OE2-NH2 3.96Å; E557-R600 PolarHBondContact OE2-NH2 3.36Å; L558-R600 HydrophobicContact CD1-CB 4.4Å; L561-R600 HydrophobicContact CD1-CB 4.46Å; R596-R600 WeakPolarHBondContact O-CB 3.31Å; R596-R600 PolarHBondContact O-N 3.38Å; R600-Q603 PolarHBondContact O-N 2.89Å; R600-L604 PolarHBondContact O-N 3.11Å
601	Q	97.1	Very high	96.2	Very high	46 Å²	46	72 Å²	72	22%	0.215	34%	0.343	C	S	.	.	H	α-helix	trans	-64.2	-47.6	171.2	-175.6	66.6	54.5	0	0	111.2	L558 I597 A598 E599 Q603 L604 D605	L558-Q601 HydrophobicContact CD1-CB 4.27Å; I597-Q601 VanDerWaalsContact O-CB 3.22Å; I597-Q601 WeakPolarHBondContact O-CB 3.43Å; I597-Q601 PolarHBondContact O-N 3.4Å; A598-Q601 PolarHBondContact O-N 2.87Å; E599-Q601 VanDerWaalsContact C-N 3.29Å; E599-Q601 PolarHBondContact O-N 3.11Å; Q601-Q603 VanDerWaalsContact C-N 3.25Å; Q601-Q603 PolarHBondContact O-N 2.52Å; Q601-L604 WeakPolarHBondContact O-CB 3.43Å; Q601-L604 PolarHBondContact O-N 3.21Å; Q601-L604 VanDerWaalsContact O-N 3.1Å; Q601-D605 PolarHBondContact NE2-OD1 2.73Å; Q601-D605 PolarHBondContact NE2-OD2 2.93Å; Q601-D605 PolarHBondContact O-N 2.68Å
602	K	96.7	Very high	96.3	Very high	126 Å²	126	76.8 Å²	76.8	55%	0.548	35%	0.353	S	S	.	.	H	α-helix	trans	-56.6	-39.9	174.4	-74.8	177.9	-178.7	177.6	0	112.2	A598 E599 D605 R606	A598-K602 WeakPolarHBondContact O-CG 3.4Å; A598-K602 PolarHBondContact O-N 2.81Å; E599-K602 WeakPolarHBondContact O-CB 3.45Å; E599-K602 PolarHBondContact O-N 3.05Å; K602-D605 PolarHBondContact O-N 2.68Å; K602-R606 WeakPolarHBondContact O-CG 3.3Å; K602-R606 PolarHBondContact O-N 3.07Å
603	Q	97	Very high	96.2	Very high	52 Å²	52	77.9 Å²	77.9	24%	0.243	36%	0.355	C	S	.	.	H	α-helix	trans	-64.4	-42.8	176	-72.3	174.7	12.5	0	0	112.5	L554 E599 R600 Q601 D605 R606 I607	L554-Q603 HydrophobicContact CD1-CB 4.26Å; L554-Q603 HydrophobicContact CD2-CB 3.98Å; E599-Q603 WeakPolarHBondContact O-CG 3.38Å; E599-Q603 PolarHBondContact O-N 2.84Å; E599-Q603 PolarHBondContact OE1-NE2 3.23Å; R600-Q603 PolarHBondContact O-N 2.89Å; Q601-Q603 VanDerWaalsContact C-N 3.25Å; Q601-Q603 PolarHBondContact O-N 2.52Å; Q603-D605 VanDerWaalsContact C-N 3.32Å; Q603-D605 PolarHBondContact O-N 3.2Å; Q603-R606 PolarHBondContact O-N 2.9Å; Q603-I607 WeakPolarHBondContact O-CG1 3.24Å; Q603-I607 PolarHBondContact O-N 3.26Å
604	L	96.8	Very high	96	Very high	3 Å²	3	77.7 Å²	77.7	2%	0.016	35%	0.354	C	S	.	.	H	α-helix	trans	-61	-41.9	175.9	-179.3	61.5	0	0	0	111.7	Q551 L554 E555 L558 R600 Q601 I607 R608	Q551-L604 HydrophobicContact CB-CD1 4.45Å; Q551-L604 HydrophobicContact CG-CD1 3.63Å; L554-L604 HydrophobicContact CB-CB 4.32Å; L554-L604 HydrophobicContact CB-CD1 4.02Å; L554-L604 HydrophobicContact CD1-CB 4.46Å; E555-L604 HydrophobicContact CG-CD1 3.75Å; E555-L604 HydrophobicContact CG-CD2 3.72Å; E555-L604 HydrophobicContact CG-CG 4.41Å; L558-L604 HydrophobicContact CD2-CD2 4.33Å; R600-L604 PolarHBondContact O-N 3.11Å; Q601-L604 WeakPolarHBondContact O-CB 3.43Å; Q601-L604 PolarHBondContact O-N 3.21Å; Q601-L604 VanDerWaalsContact O-N 3.1Å; L604-I607 PolarHBondContact O-N 2.86Å; L604-R608 WeakPolarHBondContact O-CG 3.38Å; L604-R608 PolarHBondContact O-N 3.32Å
605	D	96.7	Very high	95.7	Very high	75 Å²	75	78.9 Å²	78.9	40%	0.401	36%	0.36	S	S	.	.	H	α-helix	trans	-68.7	-34.8	179.4	-61.1	-33.2	0	0	0	111.9	Q601 K602 Q603 R608 K609	Q601-D605 PolarHBondContact NE2-OD1 2.73Å; Q601-D605 PolarHBondContact NE2-OD2 2.93Å; Q601-D605 PolarHBondContact O-N 2.68Å; K602-D605 PolarHBondContact O-N 2.68Å; Q603-D605 VanDerWaalsContact C-N 3.32Å; Q603-D605 PolarHBondContact O-N 3.2Å; D605-R608 PolarHBondContact O-N 3.14Å; D605-K609 PolarHBondContact O-N 3.31Å
606	R	96.6	Very high	95.4	Very high	129 Å²	129	74.9 Å²	74.9	49%	0.487	35%	0.347	S	S	.	.	H	α-helix	trans	-61	-47.5	170.4	-75.2	-172.5	-75.9	-118.5	2.8	112.2	E599 K602 Q603 K609 Q610	E599-R606 IonicContact OE1-NH2 3.93Å; E599-R606 PolarHBondContact OE1-NH2 2.74Å; K602-R606 WeakPolarHBondContact O-CG 3.3Å; K602-R606 PolarHBondContact O-N 3.07Å; Q603-R606 PolarHBondContact O-N 2.9Å; R606-K609 WeakPolarHBondContact O-CB 3.48Å; R606-K609 PolarHBondContact O-N 2.9Å; R606-Q610 PolarHBondContact O-N 2.5Å
607	I	96.7	Very high	94.9	Very high	15 Å²	15	69.2 Å²	69.2	8%	0.077	33%	0.333	C	S	.	.	H	α-helix	trans	-64.1	-42	178.6	-65.8	-59.2	0	0	0	111.1	L547 Q550 Q551 L554 Q603 L604 K609 Q610 L611	L547-I607 HydrophobicContact CB-CG2 4.48Å; L547-I607 HydrophobicContact CD2-CD1 4.09Å; L547-I607 HydrophobicContact CD2-CG2 4.36Å; Q550-I607 HydrophobicContact CB-CD1 4.49Å; Q550-I607 VanDerWaalsContact OE1-CD1 3.28Å; Q551-I607 HydrophobicContact CB-CG2 4.06Å; L554-I607 HydrophobicContact CD1-CB 4.4Å; L554-I607 HydrophobicContact CD1-CG1 3.73Å; Q603-I607 WeakPolarHBondContact O-CG1 3.24Å; Q603-I607 PolarHBondContact O-N 3.26Å; L604-I607 PolarHBondContact O-N 2.86Å; I607-K609 VanDerWaalsContact C-N 3.29Å; I607-K609 PolarHBondContact O-N 3.36Å; I607-Q610 PolarHBondContact O-N 2.81Å; I607-L611 HydrophobicContact CG2-CD1 4.27Å; I607-L611 WeakPolarHBondContact O-CB 3.45Å; I607-L611 PolarHBondContact O-N 2.93Å
608	R	97.6	Very high	94.2	Very high	104 Å²	104	70.8 Å²	70.8	39%	0.392	34%	0.34	S	S	.	.	H	α-helix	trans	-60.8	-37.9	175.2	-74.2	172.9	174.6	178.1	-3.4	112.3	E555 L604 D605 L611 K612	E555-R608 IonicContact OE1-CZ 3.83Å; E555-R608 IonicContact OE1-NE 3.31Å; E555-R608 IonicContact OE1-NH2 3.61Å; E555-R608 PolarHBondContact OE1-NH2 2.9Å; L604-R608 WeakPolarHBondContact O-CG 3.38Å; L604-R608 PolarHBondContact O-N 3.32Å; D605-R608 PolarHBondContact O-N 3.14Å; R608-L611 PolarHBondContact O-N 2.82Å; R608-K612 PolarHBondContact O-N 3.01Å
609	K	95.7	Very high	93.5	Very high	142 Å²	142	71.5 Å²	71.5	62%	0.617	34%	0.339	S	S	*	.	H	α-helix	trans	-63.9	-44.4	174	-171.4	178.2	179.8	-179.7	0	111.8	D605 R606 I607 K612 Q613	D605-K609 PolarHBondContact O-N 3.31Å; R606-K609 WeakPolarHBondContact O-CB 3.48Å; R606-K609 PolarHBondContact O-N 2.9Å; I607-K609 VanDerWaalsContact C-N 3.29Å; I607-K609 PolarHBondContact O-N 3.36Å; K609-K612 PolarHBondContact O-N 3.34Å; K609-Q613 WeakPolarHBondContact O-CG 3.36Å; K609-Q613 PolarHBondContact O-N 2.93Å
610	Q	96	Very high	92.9	Very high	88 Å²	88	72.8 Å²	72.8	41%	0.411	35%	0.346	S	S	.	.	H	α-helix	trans	-63	-41.3	175.7	-71.6	177.2	-16.5	0	0	112	L547 R606 I607 K612 Q613 N614	L547-Q610 HydrophobicContact CD1-CB 3.94Å; L547-Q610 HydrophobicContact CD2-CB 4.07Å; L547-Q610 VanDerWaalsContact CD2-OE1 3.28Å; R606-Q610 PolarHBondContact O-N 2.5Å; I607-Q610 PolarHBondContact O-N 2.81Å; Q610-K612 VanDerWaalsContact C-N 3.3Å; Q610-K612 PolarHBondContact O-N 3.14Å; Q610-Q613 PolarHBondContact O-N 3.1Å; Q610-N614 WeakPolarHBondContact O-CB 3.45Å; Q610-N614 PolarHBondContact O-N 3.04Å
611	L	96	Very high	92.1	Very high	20 Å²	20	72.3 Å²	72.3	11%	0.105	35%	0.346	C	S	.	.	H	α-helix	trans	-59.4	-41.1	175.5	-115.4	148.9	0	0	0	111.8	Q544 L547 V548 Q551 I607 R608 T615	Q544-L611 HydrophobicContact CG-CD2 4.49Å; L547-L611 HydrophobicContact CB-CD1 3.87Å; L547-L611 HydrophobicContact CB-CG 3.83Å; L547-L611 HydrophobicContact CD1-CG 4.34Å; V548-L611 HydrophobicContact CG2-CD1 4.14Å; V548-L611 HydrophobicContact CG2-CD2 3.88Å; Q551-L611 HydrophobicContact CB-CD1 4.44Å; I607-L611 HydrophobicContact CG2-CD1 4.27Å; I607-L611 WeakPolarHBondContact O-CB 3.45Å; I607-L611 PolarHBondContact O-N 2.93Å; R608-L611 PolarHBondContact O-N 2.82Å; L611-T615 WeakPolarHBondContact O-CB 3.42Å; L611-T615 PolarHBondContact O-N 2.8Å; L611-T615 PolarHBondContact O-OG1 3.01Å
612	K	94.3	Very high	91.1	Very high	160 Å²	160	77 Å²	77	70%	0.696	36%	0.362	S	S	*	.	H	α-helix	trans	-66.1	-45.8	175.3	-168.8	177	-179.7	-178.2	0	111.4	R608 K609 Q610 N614 T615 S616	R608-K612 PolarHBondContact O-N 3.01Å; K609-K612 PolarHBondContact O-N 3.34Å; Q610-K612 VanDerWaalsContact C-N 3.3Å; Q610-K612 PolarHBondContact O-N 3.14Å; K612-N614 VanDerWaalsContact C-N 3.35Å; K612-N614 PolarHBondContact O-N 3.49Å; K612-T615 PolarHBondContact O-N 2.89Å; K612-S616 PolarHBondContact O-N 3.07Å; K612-S616 PolarHBondContact O-OG 2.76Å
613	Q	92.8	Very high	90.2	Very high	112 Å²	112	76.5 Å²	76.5	52%	0.523	36%	0.362	S	S	.	.	H	α-helix	trans	-60.1	-43.4	176.5	-73.3	173.5	-27.1	0	0	112.2	K609 Q610 T615 S616 A617	K609-Q613 WeakPolarHBondContact O-CG 3.36Å; K609-Q613 PolarHBondContact O-N 2.93Å; Q610-Q613 PolarHBondContact O-N 3.1Å; Q613-T615 VanDerWaalsContact C-N 3.35Å; Q613-S616 PolarHBondContact O-N 3.43Å; Q613-A617 PolarHBondContact O-N 3.41Å
614	N	90.2	Very high	89.2	Confident	13 Å²	13	79.2 Å²	79.2	7%	0.07	37%	0.373	C	S	.	.	H	α-helix	trans	-67.5	-37.7	179.4	-161.7	50.2	0	0	0	111.7	L540 Q544 L547 Q610 K612 A617 M618	L540-N614 WeakPolarHBondContact CD2-OD1 3.33Å; L540-N614 PolarHBondContact O-ND2 3.38Å; Q544-N614 PolarHBondContact N-ND2 2.85Å; Q544-N614 PolarHBondContact OE1-ND2 2.92Å; L547-N614 HydrophobicContact CD1-CB 4.4Å; Q610-N614 WeakPolarHBondContact O-CB 3.45Å; Q610-N614 PolarHBondContact O-N 3.04Å; K612-N614 VanDerWaalsContact C-N 3.35Å; K612-N614 PolarHBondContact O-N 3.49Å; N614-A617 PolarHBondContact O-N 2.79Å; N614-M618 VanDerWaalsContact O-CG 3.26Å; N614-M618 WeakPolarHBondContact O-CG 3.46Å; N614-M618 PolarHBondContact O-N 3.39Å
615	T	88.8	Confident	87.6	Confident	64 Å²	64	85.6 Å²	85.6	39%	0.393	40%	0.396	S	S	.	.	H	α-helix	trans	-63.4	-42	172.6	-52.3	0	0	0	0	111.6	Q544 L611 K612 Q613 M618 T619	Q544-T615 PolarHBondContact NE2-OG1 3.29Å; L611-T615 WeakPolarHBondContact O-CB 3.42Å; L611-T615 PolarHBondContact O-N 2.8Å; L611-T615 PolarHBondContact O-OG1 3.01Å; K612-T615 PolarHBondContact O-N 2.89Å; Q613-T615 VanDerWaalsContact C-N 3.35Å; T615-M618 WeakPolarHBondContact O-CB 3.2Å; T615-M618 PolarHBondContact O-N 3.48Å; T615-T619 PolarHBondContact O-N 2.88Å; T615-T619 VanDerWaalsContact O-N 3.08Å; T615-T619 PolarHBondContact O-OG1 3.49Å
616	S	88.8	Confident	85.9	Confident	52 Å²	52	86.9 Å²	86.9	36%	0.364	40%	0.4	S	S	.	.	H	α-helix	trans	-64.9	-40.3	174.8	-68.2	0	0	0	0	112.7	K612 Q613 M618 T619 E620	K612-S616 PolarHBondContact O-N 3.07Å; K612-S616 PolarHBondContact O-OG 2.76Å; Q613-S616 PolarHBondContact O-N 3.43Å; S616-M618 VanDerWaalsContact C-N 3.33Å; S616-M618 PolarHBondContact O-N 2.99Å; S616-T619 WeakPolarHBondContact CA-OG1 3.15Å; S616-T619 PolarHBondContact O-N 3.48Å; S616-T619 PolarHBondContact O-OG1 3.48Å; S616-E620 WeakPolarHBondContact O-CG 3.37Å; S616-E620 PolarHBondContact O-N 3.34Å
617	A	88	Confident	84.2	Confident	33 Å²	33	83.6 Å²	83.6	27%	0.273	40%	0.397	S	S	.	.	H	α-helix	trans	-63.3	-39.8	175.2	0	0	0	0	0	111.8	L540 Q613 N614 T619 E620 E621	L540-A617 HydrophobicContact CD2-CB 4.34Å; Q613-A617 PolarHBondContact O-N 3.41Å; N614-A617 PolarHBondContact O-N 2.79Å; A617-T619 VanDerWaalsContact C-N 3.34Å; A617-T619 PolarHBondContact O-N 3.16Å; A617-E620 PolarHBondContact O-N 2.8Å; A617-E621 WeakPolarHBondContact O-CB 2.98Å; A617-E621 PolarHBondContact O-N 2.62Å
618	M	81.9	Confident	82.2	Confident	56 Å²	56	88.8 Å²	88.8	28%	0.276	43%	0.429	S	S	.	.	H	α-helix	trans	-61.9	-39.4	173.6	-71.7	-73.8	-65.8	0	0	112.2	L540 N614 T615 S616 R622	L540-M618 HydrophobicContact CB-CG 4.11Å; L540-M618 HydrophobicContact CB-SD 3.29Å; L540-M618 WeakPolarHBondContact CB-SD 3.19Å; L540-M618 HydrophobicContact CD1-CG 4.37Å; L540-M618 HydrophobicContact CD1-SD 3.77Å; L540-M618 HydrophobicContact CG-SD 4.16Å; N614-M618 VanDerWaalsContact O-CG 3.26Å; N614-M618 WeakPolarHBondContact O-CG 3.46Å; N614-M618 PolarHBondContact O-N 3.39Å; T615-M618 WeakPolarHBondContact O-CB 3.2Å; T615-M618 PolarHBondContact O-N 3.48Å; S616-M618 VanDerWaalsContact C-N 3.33Å; S616-M618 PolarHBondContact O-N 2.99Å; M618-R622 WeakPolarHBondContact O-CB 3.12Å; M618-R622 PolarHBondContact O-N 3.22Å; M618-R622 VanDerWaalsContact O-N 3.13Å
619	T	82.4	Confident	80	Confident	65 Å²	65	87.1 Å²	87.1	40%	0.399	44%	0.444	S	S	.	.	H	α-helix	trans	-71.8	-41.8	176.7	49.2	0	0	0	0	112.2	T615 S616 A617 E621 R622 E623	T615-T619 PolarHBondContact O-N 2.88Å; T615-T619 VanDerWaalsContact O-N 3.08Å; T615-T619 PolarHBondContact O-OG1 3.49Å; S616-T619 WeakPolarHBondContact CA-OG1 3.15Å; S616-T619 PolarHBondContact O-N 3.48Å; S616-T619 PolarHBondContact O-OG1 3.48Å; A617-T619 VanDerWaalsContact C-N 3.34Å; A617-T619 PolarHBondContact O-N 3.16Å; T619-E621 VanDerWaalsContact C-N 3.31Å; T619-E621 PolarHBondContact O-N 2.81Å; T619-R622 WeakPolarHBondContact O-CB 3.29Å; T619-R622 PolarHBondContact O-N 2.88Å; T619-E623 WeakPolarHBondContact O-CB 3.42Å; T619-E623 WeakPolarHBondContact O-CG 3.34Å; T619-E623 PolarHBondContact O-N 3.35Å
620	E	84.7	Confident	77.3	Confident	106 Å²	106	84.4 Å²	84.4	50%	0.495	44%	0.443	S	S	.	.	H	α-helix	trans	-61.7	-40	176.1	-75.9	174	-161.4	0	0	111.5	S616 A617 R622 E623 K624	S616-E620 WeakPolarHBondContact O-CG 3.37Å; S616-E620 PolarHBondContact O-N 3.34Å; A617-E620 PolarHBondContact O-N 2.8Å; E620-R622 VanDerWaalsContact C-N 3.34Å; E620-E623 PolarHBondContact O-N 2.98Å; E620-K624 WeakPolarHBondContact O-CB 3.48Å; E620-K624 WeakPolarHBondContact O-CG 3.49Å; E620-K624 PolarHBondContact O-N 3.37Å
621	E	78.7	Confident	74.3	Confident	57 Å²	57	88.1 Å²	88.1	27%	0.266	47%	0.465	S	S	.	.	H	α-helix	trans	-70.7	-33.6	178.7	-151	63.4	-170	0	0	111.9	A617 T619 K624 R625	A617-E621 WeakPolarHBondContact O-CB 2.98Å; A617-E621 PolarHBondContact O-N 2.62Å; T619-E621 VanDerWaalsContact C-N 3.31Å; T619-E621 PolarHBondContact O-N 2.81Å; E621-K624 IonicContact OE2-NZ 3.87Å; E621-K624 PolarHBondContact OE2-NZ 3.39Å; E621-R625 PolarHBondContact O-N 2.75Å
622	R	75.9	Confident	71.2	Confident	144 Å²	144	91.9 Å²	91.9	54%	0.543	49%	0.493	S	S	.	.	H	α-helix	trans	-65.4	-43.6	170.8	-171.2	178.1	-178.9	-71.1	-16.8	111.5	M618 T619 E620 R625 E626	M618-R622 WeakPolarHBondContact O-CB 3.12Å; M618-R622 PolarHBondContact O-N 3.22Å; M618-R622 VanDerWaalsContact O-N 3.13Å; T619-R622 WeakPolarHBondContact O-CB 3.29Å; T619-R622 PolarHBondContact O-N 2.88Å; E620-R622 VanDerWaalsContact C-N 3.34Å; R622-R625 PolarHBondContact O-N 3.44Å; R622-E626 IonicContact CZ-OE1 2.85Å; R622-E626 IonicContact NH1-OE1 2.9Å; R622-E626 PolarHBondContact NH1-OE1 3.02Å; R622-E626 IonicContact NH1-OE2 2.55Å; R622-E626 IonicContact NH2-OE1 2.87Å; R622-E626 PolarHBondContact NH2-OE1 2.94Å; R622-E626 WeakPolarHBondContact O-CG 3.5Å; R622-E626 PolarHBondContact O-N 3.1Å
623	E	79.2	Confident	68.1	Low	117 Å²	117	90.2 Å²	90.2	55%	0.547	50%	0.501	S	S	.	.	H	α-helix	trans	-68.4	-38.9	177.8	-75.2	174.8	-175.5	0	0	112.4	T619 E620 R625 E626 S627	T619-E623 WeakPolarHBondContact O-CB 3.42Å; T619-E623 WeakPolarHBondContact O-CG 3.34Å; T619-E623 PolarHBondContact O-N 3.35Å; E620-E623 PolarHBondContact O-N 2.98Å; E623-R625 VanDerWaalsContact C-N 3.28Å; E623-R625 PolarHBondContact O-N 3.29Å; E623-E626 CarbonylContact O-C 3.47Å; E623-E626 PolarHBondContact O-N 2.9Å; E623-E626 VanDerWaalsContact O-N 3.15Å; E623-S627 WeakPolarHBondContact O-CB 3.39Å; E623-S627 PolarHBondContact O-N 3.19Å; E623-S627 PolarHBondContact O-OG 3.22Å
624	K	75.4	Confident	65.1	Low	109 Å²	109	90 Å²	90	47%	0.474	51%	0.512	S	S	.	.	H	α-helix	trans	-60	-38.4	172.4	-77.7	178.9	-160.6	155.5	0	111.9	E620 E621 S627 V628	E620-K624 WeakPolarHBondContact O-CB 3.48Å; E620-K624 WeakPolarHBondContact O-CG 3.49Å; E620-K624 PolarHBondContact O-N 3.37Å; E621-K624 IonicContact OE2-NZ 3.87Å; E621-K624 PolarHBondContact OE2-NZ 3.39Å; K624-S627 PolarHBondContact O-N 3.34Å; K624-S627 PolarHBondContact O-OG 3.41Å; K624-V628 WeakPolarHBondContact O-CB 3.44Å; K624-V628 VanDerWaalsContact O-CG2 3.26Å; K624-V628 WeakPolarHBondContact O-CG2 3.49Å; K624-V628 PolarHBondContact O-N 3.33Å
625	R	62.6	Low	62.1	Low	136 Å²	136	94.9 Å²	94.9	51%	0.513	55%	0.547	S	S	.	.	H	α-helix	trans	-68.7	-37.3	174.2	-76.8	-174.4	178.6	-115	14.7	112	E535 E621 R622 E623 G629	E535-R625 IonicContact OE1-CZ 3.08Å; E535-R625 IonicContact OE1-NH2 2.76Å; E535-R625 PolarHBondContact OE1-NH2 3.37Å; E621-R625 PolarHBondContact O-N 2.75Å; R622-R625 PolarHBondContact O-N 3.44Å; E623-R625 VanDerWaalsContact C-N 3.28Å; E623-R625 PolarHBondContact O-N 3.29Å; R625-G629 PolarHBondContact O-N 3.48Å
626	E	62.2	Low	59.4	Low	103 Å²	103	98.8 Å²	98.8	48%	0.481	57%	0.571	S	S	.	*	H	α-helix	trans	-67.6	-34.4	175.2	-71.4	177.4	174.9	0	0	111.9	R622 E623 G629	R622-E626 IonicContact CZ-OE1 2.85Å; R622-E626 IonicContact NH1-OE1 2.9Å; R622-E626 PolarHBondContact NH1-OE1 3.02Å; R622-E626 IonicContact NH1-OE2 2.55Å; R622-E626 IonicContact NH2-OE1 2.87Å; R622-E626 PolarHBondContact NH2-OE1 2.94Å; R622-E626 WeakPolarHBondContact O-CG 3.5Å; R622-E626 PolarHBondContact O-N 3.1Å; E623-E626 CarbonylContact O-C 3.47Å; E623-E626 PolarHBondContact O-N 2.9Å; E623-E626 VanDerWaalsContact O-N 3.15Å; E626-G629 PolarHBondContact O-N 3.02Å
627	S	60.1	Low	56.3	Low	60 Å²	60	103.6 Å²	103.6	42%	0.42	59%	0.592	S	S	.	*	H	α-helix	trans	-81.5	-35.8	179.7	71.7	0	0	0	0	114.3	E623 K624 G629 S630	E623-S627 WeakPolarHBondContact O-CB 3.39Å; E623-S627 PolarHBondContact O-N 3.19Å; E623-S627 PolarHBondContact O-OG 3.22Å; K624-S627 PolarHBondContact O-N 3.34Å; K624-S627 PolarHBondContact O-OG 3.41Å; S627-G629 PolarHBondContact O-N 2.78Å; S627-S630 PolarHBondContact O-N 3.22Å; S627-S630 PolarHBondContact O-OG 2.89Å
628	V	55.2	Low	53.3	Low	124 Å²	124	106.7 Å²	106.7	75%	0.752	61%	0.612	S	S	*	*	H	α-helix	trans	-65.9	-24.3	170.4	176	0	0	0	0	110.7	K624 S630	K624-V628 WeakPolarHBondContact O-CB 3.44Å; K624-V628 VanDerWaalsContact O-CG2 3.26Å; K624-V628 WeakPolarHBondContact O-CG2 3.49Å; K624-V628 PolarHBondContact O-N 3.33Å; V628-S630 VanDerWaalsContact C-N 3.27Å; V628-S630 PolarHBondContact O-N 3.32Å
629	G	50.5	Low	50.7	Low	69 Å²	69	109 Å²	109	71%	0.711	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-7	169.8	0	0	0	0	0	115.6	R625 E626 S627	R625-G629 PolarHBondContact O-N 3.48Å; E626-G629 PolarHBondContact O-N 3.02Å; S627-G629 PolarHBondContact O-N 2.78Å
630	S	39.7	Very low	47.9	Very low	84 Å²	84	113.6 Å²	113.6	59%	0.587	66%	0.655	S	S	*	*			trans	-128	9.5	-168.7	86.6	0	0	0	0	116.7	S627 V628 S632	S627-S630 PolarHBondContact O-N 3.22Å; S627-S630 PolarHBondContact O-OG 2.89Å; V628-S630 VanDerWaalsContact C-N 3.27Å; V628-S630 PolarHBondContact O-N 3.32Å; S630-S632 PolarHBondContact O-N 3.11Å
631	L	32.7	Very low	45	Very low	166 Å²	166	114.7 Å²	114.7	87%	0.869	67%	0.673	S	S	*	*			trans	-91.6	78.2	172.8	-79.6	161.2	0	0	0	111.3
632	S	30.6	Very low	42.4	Very low	100 Å²	100	120.7 Å²	120.7	70%	0.699	70%	0.701	S	S	*	*			trans	-139.6	129.2	149.8	67.7	0	0	0	0	109.4	S630	S630-S632 PolarHBondContact O-N 3.11Å
633	S	29.9	Very low	39.9	Very low	124 Å²	124	120.8 Å²	120.8	87%	0.867	72%	0.717	S	S	*	*			trans	79.2	113.8	172	70.4	0	0	0	0	118.1
634	S	30	Very low	37.4	Very low	109 Å²	109	120.3 Å²	120.3	76%	0.762	72%	0.724	S	S	*	*			trans	-64.6	155.7	169.6	45	0	0	0	0	114.1
635	S	25.9	Very low	35	Very low	115 Å²	115	120.5 Å²	120.5	80%	0.804	74%	0.736	S	S	*	*			trans	-37.4	123.6	167.1	52.5	0	0	0	0	116
636	V	32.6	Very low	33.2	Very low	146 Å²	146	119.1 Å²	119.1	89%	0.885	75%	0.748	S	S	*	*			trans	-143.4	138.8	143.6	-160.5	0	0	0	0	108.6
637	D	23.9	Very low	31.4	Very low	152 Å²	152	121.8 Å²	121.8	81%	0.813	76%	0.764	S	S	*	*			trans	-82.2	158.1	-168.5	-154.9	-4.4	0	0	0	113.2
638	S	25.1	Very low	29.6	Very low	99 Å²	99	124.7 Å²	124.7	69%	0.692	78%	0.781	S	S	*	*			trans	77.3	122	152.8	-137.2	0	0	0	0	122.6
639	S	27.8	Very low	28.2	Very low	104 Å²	104	126.7 Å²	126.7	73%	0.727	79%	0.786	S	S	*	*			trans	88.2	102.9	143.1	69.6	0	0	0	0	121.6
640	L	24.4	Very low	26.9	Very low	161 Å²	161	131.9 Å²	131.9	84%	0.843	79%	0.792	S	S	*	*			trans	54.3	96.1	135.5	-88.4	72.5	0	0	0	121	Q642	L640-Q642 PolarHBondContact O-N 3Å
641	C	22.5	Very low	26.3	Very low	129 Å²	129	133.5 Å²	133.5	87%	0.872	80%	0.8	S	S	*	*				36.2	82.2	123.4	-61.9	0	0	0	0	119.3
642	Q	24.3	Very low	26.1	Very low	184 Å²	184	131.2 Å²	131.2	86%	0.86	80%	0.795	S	S	*	*			trans	-136.6	117.4	145.4	-79.1	-179.3	-25.3	0	0	108.8	L640	L640-Q642 PolarHBondContact O-N 3Å
643	V	23.3	Very low	25.9	Very low	145 Å²	145	132.3 Å²	132.3	88%	0.879	80%	0.8	S	S	*	*			trans	-123.1	110	170.5	178.1	0	0	0	0	109
644	P	26.8	Very low	25.7	Very low	108 Å²	108	135.6 Å²	135.6	70%	0.701	79%	0.794	S	S	*	*			trans	-103.4	171.3	150.6	10.5	11.3	0	0	0	110.8
645	P	25.9	Very low	25.5	Very low	112 Å²	112	134.9 Å²	134.9	73%	0.727	79%	0.789	S	S	*	*			trans	-105.9	160	-138.8	39.3	-35.7	0	0	0	116.8
646	S	23	Very low	25.5	Very low	107 Å²	107	138.3 Å²	138.3	75%	0.748	79%	0.793	S	S	*	*			trans	61.6	112.3	142.4	49.5	0	0	0	0	121.3
647	I	24.9	Very low	25.2	Very low	160 Å²	160	137 Å²	137	82%	0.821	78%	0.779	S	S	*	*			trans	-142.5	139.3	133.5	-61.1	-172.6	0	0	0	109.4
648	P	23.5	Very low	25.2	Very low	120 Å²	120	141.2 Å²	141.2	78%	0.779	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-85.6	129.2	-171.8	3.7	16.6	0	0	0	112.5
649	I	24.6	Very low	25.3	Very low	167 Å²	167	144.9 Å²	144.9	86%	0.856	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-92.8	117.9	174.6	-61.3	171.9	0	0	0	108.7
650	Q	24	Very low	25.5	Very low	178 Å²	178	149.6 Å²	149.6	83%	0.832	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-68.6	137.8	170.9	-71.8	-171.9	-20.8	0	0	110.4
651	P	26.4	Very low	25.7	Very low	118 Å²	118	148.1 Å²	148.1	77%	0.766	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-71.2	144.3	176.2	27.7	-31.7	0	0	0	111.5
652	P	28.2	Very low	26.1	Very low	118 Å²	118	147.9 Å²	147.9	77%	0.766	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-71.3	160.5	-176	28.9	-34	0	0	0	113.1
653	P	27.6	Very low	27.1	Very low	122 Å²	122	143 Å²	143	79%	0.792	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-79.8	122.6	-169.5	30.4	-29.9	0	0	0	111.5	S655	P653-S655 PolarHBondContact O-N 3.37Å
654	Y	24.8	Very low	28	Very low	193 Å²	193	142.6 Å²	142.6	76%	0.757	76%	0.759	S	S	*	*			trans	-81.7	94.8	173.9	-158.9	-97.8	0	0	0	109.5	I657	Y654-I657 HydrophobicContact CE1-CB 4.05Å; Y654-I657 HydrophobicContact CE1-CG1 4.09Å; Y654-I657 WeakPolarHBondContact OH-CD1 3.38Å
655	S	26	Very low	28.8	Very low	94 Å²	94	142.3 Å²	142.3	66%	0.657	75%	0.751	S	S	*	*			trans	-99.5	130.4	168.6	53.2	0	0	0	0	110.2	P653	P653-S655 PolarHBondContact O-N 3.37Å
656	Q	25.6	Very low	29.4	Very low	187 Å²	187	141 Å²	141	87%	0.874	74%	0.735	S	S	*	*			trans	71.8	61.1	158.5	-54.7	179.6	11.8	0	0	118.5
657	I	25.9	Very low	30.3	Very low	118 Å²	118	138.9 Å²	138.9	61%	0.605	72%	0.718	S	S	*	*			trans	-110.3	118.5	143.6	-59.6	-160.5	0	0	0	109.4	Y654 Q659	Y654-I657 HydrophobicContact CE1-CB 4.05Å; Y654-I657 HydrophobicContact CE1-CG1 4.09Å; Y654-I657 WeakPolarHBondContact OH-CD1 3.38Å; I657-Q659 PolarHBondContact O-N 3.04Å
658	R	24.6	Very low	31.3	Very low	241 Å²	241	138.3 Å²	138.3	91%	0.909	71%	0.706	S	S	*	*			trans	-52.4	93	-179.3	-160.4	175.1	-172	178.4	2.2	110.6	K660	R658-K660 PolarHBondContact O-N 3.19Å; R658-K660 VanDerWaalsContact O-N 3.07Å
659	Q	26.9	Very low	32.1	Very low	176 Å²	176	138 Å²	138	82%	0.822	70%	0.695	S	S	*	*			trans	-59.7	112.1	168.8	-73.3	175.7	-8.2	0	0	107.9	I657 T661	I657-Q659 PolarHBondContact O-N 3.04Å; Q659-T661 PolarHBondContact O-N 3.38Å
660	K	31.5	Very low	32.8	Very low	204 Å²	204	135.1 Å²	135.1	89%	0.887	68%	0.678	S	S	*	*			trans	-57.1	108.3	160.6	-108.3	176.4	175.3	174.5	0	105.8	R658 M662	R658-K660 PolarHBondContact O-N 3.19Å; R658-K660 VanDerWaalsContact O-N 3.07Å; K660-M662 PolarHBondContact O-N 3.43Å
661	T	29.2	Very low	33.7	Very low	129 Å²	129	134.6 Å²	134.6	79%	0.791	67%	0.673	S	S	*	*			trans	-60.4	97.8	179.2	43.1	0	0	0	0	108.6	Q659 T663	Q659-T661 PolarHBondContact O-N 3.38Å; T661-T663 PolarHBondContact O-N 2.94Å
662	M	32.2	Very low	34.4	Very low	125 Å²	125	134.8 Å²	134.8	62%	0.616	66%	0.662	S	S	*	*			trans	-58	129.5	157.5	-68.2	-134.1	101.5	0	0	106.6	K660 E666	K660-M662 PolarHBondContact O-N 3.43Å; M662-E666 VanDerWaalsContact CE-OE2 3.28Å; M662-E666 WeakPolarHBondContact CE-OE2 3.25Å
663	T	44.6	Very low	34.8	Very low	80 Å²	80	135.4 Å²	135.4	49%	0.491	66%	0.658	S	S	.	*			trans	-62.9	150.8	-173.9	57.6	0	0	0	0	110.4	T661 D665 E666 T667	T661-T663 PolarHBondContact O-N 2.94Å; T663-D665 PolarHBondContact O-N 3.41Å; T663-E666 PolarHBondContact N-OE2 3.34Å; T663-E666 PolarHBondContact O-N 3.01Å; T663-E666 PolarHBondContact OG1-OE2 3.05Å; T663-T667 PolarHBondContact O-N 2.86Å
664	D	42.2	Very low	35.2	Very low	138 Å²	138	134.2 Å²	134.2	74%	0.738	64%	0.641	S	S	*	*	H	α-helix	trans	-54.7	-22.8	179.2	-76.6	-30.5	0	0	0	112.9	T667 R668	D664-T667 PolarHBondContact O-OG1 2.9Å; D664-R668 WeakPolarHBondContact O-CB 3.46Å; D664-R668 PolarHBondContact O-N 3.28Å; D664-R668 VanDerWaalsContact O-N 3.12Å
665	D	42.6	Very low	35.7	Very low	101 Å²	101	126.7 Å²	126.7	54%	0.54	62%	0.621	S	S	.	*	H	α-helix	trans	-71.5	-36.5	176.1	-77.2	-31	0	0	0	113.2	T663 M669	T663-D665 PolarHBondContact O-N 3.41Å; D665-M669 WeakPolarHBondContact O-CB 3.33Å; D665-M669 WeakPolarHBondContact O-CG 3.49Å; D665-M669 PolarHBondContact O-N 3.18Å
666	E	39.6	Very low	36.2	Very low	84 Å²	84	124.4 Å²	124.4	39%	0.393	61%	0.608	S	S	.	*	H	α-helix	trans	-72.9	-45.8	-179.8	-71.6	175	129.9	0	0	111.6	M662 T663 R668 M669 E670	M662-E666 VanDerWaalsContact CE-OE2 3.28Å; M662-E666 WeakPolarHBondContact CE-OE2 3.25Å; T663-E666 PolarHBondContact N-OE2 3.34Å; T663-E666 PolarHBondContact O-N 3.01Å; T663-E666 PolarHBondContact OG1-OE2 3.05Å; E666-R668 VanDerWaalsContact C-N 3.3Å; E666-R668 PolarHBondContact O-N 3.41Å; E666-M669 PolarHBondContact O-N 2.79Å; E666-E670 PolarHBondContact O-N 3.31Å
667	T	41.5	Very low	36.5	Very low	63 Å²	63	123.1 Å²	123.1	39%	0.387	60%	0.596	S	S	.	*	H	α-helix	trans	-66	-34.3	175.8	42.9	0	0	0	0	112	T663 D664 K671	T663-T667 PolarHBondContact O-N 2.86Å; D664-T667 PolarHBondContact O-OG1 2.9Å; T667-K671 WeakPolarHBondContact O-CB 3.48Å; T667-K671 WeakPolarHBondContact O-CG 3.47Å; T667-K671 PolarHBondContact O-N 2.74Å
668	R	46.8	Very low	36.8	Very low	148 Å²	148	125.3 Å²	125.3	56%	0.558	60%	0.596	S	S	*	*	H	α-helix	trans	-69.8	-37.5	173.4	-174	177	174.8	-156.2	0	111.9	D664 E666 K672	D664-R668 WeakPolarHBondContact O-CB 3.46Å; D664-R668 PolarHBondContact O-N 3.28Å; D664-R668 VanDerWaalsContact O-N 3.12Å; E666-R668 VanDerWaalsContact C-N 3.3Å; E666-R668 PolarHBondContact O-N 3.41Å; R668-K672 HydrophobicContact CG-CD 4.36Å; R668-K672 VanDerWaalsContact O-CB 3.28Å; R668-K672 WeakPolarHBondContact O-CB 3.24Å; R668-K672 WeakPolarHBondContact O-CG 3.33Å; R668-K672 PolarHBondContact O-N 2.86Å
669	M	40.3	Very low	37.4	Very low	115 Å²	115	120.5 Å²	120.5	57%	0.567	58%	0.584	S	S	*	*	H	α-helix	trans	-65.6	-42.9	173.2	-84.5	-166.1	-93	0	0	111.7	D665 E666 K672 L673	D665-M669 WeakPolarHBondContact O-CB 3.33Å; D665-M669 WeakPolarHBondContact O-CG 3.49Å; D665-M669 PolarHBondContact O-N 3.18Å; E666-M669 PolarHBondContact O-N 2.79Å; M669-K672 PolarHBondContact O-N 3.08Å; M669-L673 PolarHBondContact O-N 2.72Å
670	E	38.2	Very low	37.8	Very low	105 Å²	105	117.8 Å²	117.8	49%	0.491	57%	0.574	S	S	.	*	H	α-helix	trans	-67.7	-42.6	179.3	-152.4	-163.7	166.5	0	0	112	E666 K672 L673 K674	E666-E670 PolarHBondContact O-N 3.31Å; E670-K672 VanDerWaalsContact C-N 3.31Å; E670-K672 PolarHBondContact O-N 3.47Å; E670-L673 PolarHBondContact O-N 3.39Å; E670-K674 WeakPolarHBondContact O-CB 3.25Å; E670-K674 WeakPolarHBondContact O-CG 3.42Å; E670-K674 PolarHBondContact O-N 3.31Å; E670-K674 WeakPolarHBondContact OE1-CE 3.43Å; E670-K674 IonicContact OE1-NZ 2.65Å; E670-K674 PolarHBondContact OE1-NZ 2.61Å; E670-K674 IonicContact OE2-NZ 3.88Å
671	K	43.1	Very low	37.7	Very low	167 Å²	167	111 Å²	111	73%	0.726	54%	0.543	S	S	*	.	H	α-helix	trans	-60.5	-40.1	171.6	-82	-179.6	178.3	172.9	0	111.7	T667 G675	T667-K671 WeakPolarHBondContact O-CB 3.48Å; T667-K671 WeakPolarHBondContact O-CG 3.47Å; T667-K671 PolarHBondContact O-N 2.74Å; K671-G675 PolarHBondContact O-N 3.06Å
672	K	40.7	Very low	37.9	Very low	122 Å²	122	106.8 Å²	106.8	53%	0.53	52%	0.519	S	S	.	.	H	α-helix	trans	-67.5	-40.3	175.8	-79.5	175.1	177.9	177.6	0	112.3	R668 M669 E670 G675 A676	R668-K672 HydrophobicContact CG-CD 4.36Å; R668-K672 VanDerWaalsContact O-CB 3.28Å; R668-K672 WeakPolarHBondContact O-CB 3.24Å; R668-K672 WeakPolarHBondContact O-CG 3.33Å; R668-K672 PolarHBondContact O-N 2.86Å; M669-K672 PolarHBondContact O-N 3.08Å; E670-K672 VanDerWaalsContact C-N 3.31Å; E670-K672 PolarHBondContact O-N 3.47Å; K672-G675 PolarHBondContact O-N 2.78Å; K672-A676 VanDerWaalsContact O-CB 3.29Å; K672-A676 WeakPolarHBondContact O-CB 3.49Å; K672-A676 PolarHBondContact O-N 3.2Å
673	L	37.4	Very low	38	Very low	131 Å²	131	103.7 Å²	103.7	69%	0.686	51%	0.507	S	S	*	.	H	α-helix	trans	-65.3	-47	176.9	-117.8	84.5	0	0	0	111.3	M669 E670 G675 A676 R677	M669-L673 PolarHBondContact O-N 2.72Å; E670-L673 PolarHBondContact O-N 3.39Å; L673-G675 VanDerWaalsContact C-N 3.32Å; L673-G675 PolarHBondContact O-N 2.97Å; L673-A676 PolarHBondContact O-N 2.83Å; L673-R677 WeakPolarHBondContact O-CB 3.44Å; L673-R677 PolarHBondContact O-N 2.82Å
674	K	34.9	Very low	37.3	Very low	98 Å²	98	103.1 Å²	103.1	43%	0.426	51%	0.506	S	S	.	.	H	α-helix	trans	-61.7	-41.4	176.3	-72.9	177.4	-175.8	164.9	0	111	E670 W678	E670-K674 WeakPolarHBondContact O-CB 3.25Å; E670-K674 WeakPolarHBondContact O-CG 3.42Å; E670-K674 PolarHBondContact O-N 3.31Å; E670-K674 WeakPolarHBondContact OE1-CE 3.43Å; E670-K674 IonicContact OE1-NZ 2.65Å; E670-K674 PolarHBondContact OE1-NZ 2.61Å; E670-K674 IonicContact OE2-NZ 3.88Å; K674-W678 WeakPolarHBondContact O-CB 3.4Å; K674-W678 PolarHBondContact O-N 3.06Å
675	G	35.6	Very low	36.7	Very low	34 Å²	34	101 Å²	101	35%	0.351	49%	0.492	S	S	.	.	H	α-helix	trans	-65.5	-42.6	175.4	0	0	0	0	0	113.8	K671 K672 L673 W678 Q679	K671-G675 PolarHBondContact O-N 3.06Å; K672-G675 PolarHBondContact O-N 2.78Å; L673-G675 VanDerWaalsContact C-N 3.32Å; L673-G675 PolarHBondContact O-N 2.97Å; G675-W678 PolarHBondContact O-N 3.11Å; G675-Q679 PolarHBondContact O-N 3.18Å
676	A	36.1	Very low	36.2	Very low	47 Å²	47	103.2 Å²	103.2	39%	0.388	50%	0.496	S	S	.	.	H	α-helix	trans	-65.8	-41.1	177.5	0	0	0	0	0	111.7	K672 L673 W678 Q679 I680	K672-A676 VanDerWaalsContact O-CB 3.29Å; K672-A676 WeakPolarHBondContact O-CB 3.49Å; K672-A676 PolarHBondContact O-N 3.2Å; L673-A676 PolarHBondContact O-N 2.83Å; A676-W678 VanDerWaalsContact C-N 3.34Å; A676-W678 PolarHBondContact O-N 3.06Å; A676-Q679 PolarHBondContact O-N 3.25Å; A676-I680 WeakPolarHBondContact O-CG1 3.34Å; A676-I680 PolarHBondContact O-N 2.89Å
677	R	32.5	Very low	35.8	Very low	160 Å²	160	102.5 Å²	102.5	60%	0.604	50%	0.501	S	S	*	.	H	α-helix	trans	-63.3	-40.1	174.6	-169.5	171.5	160.2	148.8	-4.9	111.4	L673 Y681	L673-R677 WeakPolarHBondContact O-CB 3.44Å; L673-R677 PolarHBondContact O-N 2.82Å; R677-Y681 WeakPolarHBondContact O-CB 3.39Å; R677-Y681 PolarHBondContact O-N 3.3Å
678	W	32.8	Very low	35.2	Very low	163 Å²	163	102.3 Å²	102.3	62%	0.617	50%	0.497	S	S	*	.	H	α-helix	trans	-66.2	-37.2	172.6	-105	99.3	0	0	0	113.6	K674 G675 A676 Y681 S682	K674-W678 WeakPolarHBondContact O-CB 3.4Å; K674-W678 PolarHBondContact O-N 3.06Å; G675-W678 PolarHBondContact O-N 3.11Å; A676-W678 VanDerWaalsContact C-N 3.34Å; A676-W678 PolarHBondContact O-N 3.06Å; W678-Y681 HydrophobicContact CE3-CD1 4.31Å; W678-Y681 HydrophobicContact CZ3-CD1 4.25Å; W678-Y681 PolarHBondContact O-N 2.81Å; W678-S682 VanDerWaalsContact O-CB 3.3Å; W678-S682 WeakPolarHBondContact O-CB 3.17Å; W678-S682 PolarHBondContact O-N 2.59Å
679	Q	36.3	Very low	34.5	Very low	141 Å²	141	98.4 Å²	98.4	66%	0.659	49%	0.492	S	S	*	.	H	α-helix	trans	-69.4	-38.9	177	-83.9	-177.8	-23.3	0	0	112.5	G675 A676 Y681 T683	G675-Q679 PolarHBondContact O-N 3.18Å; A676-Q679 PolarHBondContact O-N 3.25Å; Q679-Y681 VanDerWaalsContact C-N 3.35Å; Q679-T683 WeakPolarHBondContact O-CB 3.26Å; Q679-T683 PolarHBondContact O-N 2.72Å; Q679-T683 PolarHBondContact O-OG1 3.44Å
680	I	35.6	Very low	34.1	Very low	118 Å²	118	100.7 Å²	100.7	61%	0.605	50%	0.499	S	S	*	.	H	α-helix	trans	-62.6	-45.9	172.9	-65.6	165.2	0	0	0	109.6	A676 T683 C684	A676-I680 WeakPolarHBondContact O-CG1 3.34Å; A676-I680 PolarHBondContact O-N 2.89Å; I680-T683 PolarHBondContact O-N 3.18Å; I680-C684 PolarHBondContact O-N 3.33Å
681	Y	30.7	Very low	33.7	Very low	62 Å²	62	99.4 Å²	99.4	24%	0.243	50%	0.498	C	S	.	.	H	α-helix	trans	-61.1	-48.2	177.1	-176.1	-98.5	0	0	0	112.9	R677 W678 Q679 T683 C684 Q685 T845 N846	R677-Y681 WeakPolarHBondContact O-CB 3.39Å; R677-Y681 PolarHBondContact O-N 3.3Å; W678-Y681 HydrophobicContact CE3-CD1 4.31Å; W678-Y681 HydrophobicContact CZ3-CD1 4.25Å; W678-Y681 PolarHBondContact O-N 2.81Å; Q679-Y681 VanDerWaalsContact C-N 3.35Å; Y681-T683 VanDerWaalsContact C-N 3.31Å; Y681-T683 PolarHBondContact O-N 2.87Å; Y681-C684 PolarHBondContact O-N 2.96Å; Y681-Q685 WeakPolarHBondContact O-CB 3.18Å; Y681-Q685 PolarHBondContact O-N 2.73Å; Y681-T845 PolarHBondContact OH-OG1 2.85Å; Y681-N846 HydrophobicContact CE2-CB 4.16Å; Y681-N846 WeakPolarHBondContact OH-CB 3.16Å; Y681-N846 PolarHBondContact OH-N 2.98Å
682	S	32.8	Very low	33	Very low	41 Å²	41	98.8 Å²	98.8	29%	0.287	49%	0.491	S	S	.	.	H	α-helix	trans	-62.4	-37.1	176.8	179.6	0	0	0	0	112.4	W678 Q685 K686	W678-S682 VanDerWaalsContact O-CB 3.3Å; W678-S682 WeakPolarHBondContact O-CB 3.17Å; W678-S682 PolarHBondContact O-N 2.59Å; S682-Q685 PolarHBondContact O-N 2.93Å; S682-K686 WeakPolarHBondContact O-CB 3.41Å; S682-K686 WeakPolarHBondContact O-CG 3.25Å; S682-K686 PolarHBondContact O-N 3.48Å
683	T	33.2	Very low	32.6	Very low	59 Å²	59	99.8 Å²	99.8	36%	0.362	50%	0.502	S	S	.	.	H	α-helix	trans	-67.9	-42.4	177.5	-52.7	0	0	0	0	110.7	Q679 I680 Y681 S687	Q679-T683 WeakPolarHBondContact O-CB 3.26Å; Q679-T683 PolarHBondContact O-N 2.72Å; Q679-T683 PolarHBondContact O-OG1 3.44Å; I680-T683 PolarHBondContact O-N 3.18Å; Y681-T683 VanDerWaalsContact C-N 3.31Å; Y681-T683 PolarHBondContact O-N 2.87Å; T683-S687 PolarHBondContact O-N 3.06Å; T683-S687 VanDerWaalsContact O-N 3.14Å; T683-S687 PolarHBondContact O-OG 3.12Å
684	C	29.7	Very low	32.3	Very low	69 Å²	69	96.1 Å²	96.1	47%	0.466	49%	0.49	S	S	.	.	H	α-helix	trans	-63.3	-42.1	172.8	-74.3	0	0	0	0	111.8	I680 Y681 S687 L688	I680-C684 PolarHBondContact O-N 3.33Å; Y681-C684 PolarHBondContact O-N 2.96Å; C684-S687 PolarHBondContact O-N 3.28Å; C684-L688 WeakPolarHBondContact O-CB 3.44Å; C684-L688 WeakPolarHBondContact O-CD1 3.5Å; C684-L688 PolarHBondContact O-N 3.43Å
685	Q	30.8	Very low	32.1	Very low	94 Å²	94	96.1 Å²	96.1	44%	0.439	50%	0.495	S	S	.	.	H	α-helix	trans	-68.2	-36.5	-178.2	-159.1	175	7.7	0	0	113.1	Y681 S682 L688 S689	Y681-Q685 WeakPolarHBondContact O-CB 3.18Å; Y681-Q685 PolarHBondContact O-N 2.73Å; S682-Q685 PolarHBondContact O-N 2.93Å; Q685-L688 PolarHBondContact O-N 3.49Å; Q685-S689 PolarHBondContact O-N 2.81Å; Q685-S689 PolarHBondContact O-OG 3.39Å
686	K	31.5	Very low	31.9	Very low	146 Å²	146	96.4 Å²	96.4	64%	0.635	49%	0.492	S	S	*	.	H	α-helix	trans	-70.9	-31.5	173.3	-76.2	-176.7	179.5	-179.4	0	112.8	S682 S689	S682-K686 WeakPolarHBondContact O-CB 3.41Å; S682-K686 WeakPolarHBondContact O-CG 3.25Å; S682-K686 PolarHBondContact O-N 3.48Å; K686-S689 PolarHBondContact O-OG 3.35Å
687	S	31.4	Very low	31.8	Very low	70 Å²	70	98 Å²	98	49%	0.49	50%	0.498	S	S	.	.	H	α-helix	trans	-70.4	-40.4	170.1	-62.9	0	0	0	0	111.3	T683 C684 S689 K690 V691	T683-S687 PolarHBondContact O-N 3.06Å; T683-S687 VanDerWaalsContact O-N 3.14Å; T683-S687 PolarHBondContact O-OG 3.12Å; C684-S687 PolarHBondContact O-N 3.28Å; S687-S689 PolarHBondContact O-N 3.49Å; S687-K690 PolarHBondContact O-N 2.88Å; S687-V691 WeakPolarHBondContact O-CG2 3.43Å; S687-V691 PolarHBondContact O-N 3.31Å; S687-V691 VanDerWaalsContact O-N 3.14Å
688	L	29.5	Very low	31.9	Very low	58 Å²	58	96.9 Å²	96.9	30%	0.304	50%	0.5	S	S	.	.	H	α-helix	trans	-62.6	-42.2	179	-101.3	140.5	0	0	0	113.1	C684 Q685 K690 V691 R692	C684-L688 WeakPolarHBondContact O-CB 3.44Å; C684-L688 WeakPolarHBondContact O-CD1 3.5Å; C684-L688 PolarHBondContact O-N 3.43Å; Q685-L688 PolarHBondContact O-N 3.49Å; L688-K690 VanDerWaalsContact C-N 3.32Å; L688-K690 PolarHBondContact O-N 3.14Å; L688-V691 PolarHBondContact O-N 3.11Å; L688-R692 WeakPolarHBondContact O-CB 3.23Å; L688-R692 PolarHBondContact O-N 2.91Å
689	S	32	Very low	32	Very low	66 Å²	66	91.4 Å²	91.4	46%	0.462	49%	0.487	S	S	.	.	H	α-helix	trans	-68.6	-29.2	179.2	30	0	0	0	0	113.1	Q685 K686 S687	Q685-S689 PolarHBondContact O-N 2.81Å; Q685-S689 PolarHBondContact O-OG 3.39Å; K686-S689 PolarHBondContact O-OG 3.35Å; S687-S689 PolarHBondContact O-N 3.49Å
690	K	30.7	Very low	31.9	Very low	163 Å²	163	88.7 Å²	88.7	71%	0.709	48%	0.479	S	S	*	.	H	α-helix	trans	-74.6	-41.1	173.5	-74.7	-172.4	174.5	-169.2	0	112.7	S687 L688 L693 A694	S687-K690 PolarHBondContact O-N 2.88Å; L688-K690 VanDerWaalsContact C-N 3.32Å; L688-K690 PolarHBondContact O-N 3.14Å; K690-L693 PolarHBondContact O-N 2.77Å; K690-A694 PolarHBondContact O-N 2.81Å
691	V	30.4	Very low	31.5	Very low	79 Å²	79	90.1 Å²	90.1	48%	0.479	48%	0.481	S	S	.	.	H	α-helix	trans	-71.8	-34.2	-179.4	178.4	0	0	0	0	112	S687 L688 L693 A694 N695	S687-V691 WeakPolarHBondContact O-CG2 3.43Å; S687-V691 PolarHBondContact O-N 3.31Å; S687-V691 VanDerWaalsContact O-N 3.14Å; L688-V691 PolarHBondContact O-N 3.11Å; V691-L693 VanDerWaalsContact C-N 3.28Å; V691-L693 PolarHBondContact O-N 3.33Å; V691-A694 PolarHBondContact O-N 3.39Å; V691-N695 PolarHBondContact O-N 3.08Å
692	R	28.1	Very low	31.4	Very low	153 Å²	153	96.4 Å²	96.4	58%	0.577	51%	0.505	S	S	*	.	H	α-helix	trans	-63.2	-31.8	177.8	-127	176.9	179.5	155.7	-0.2	113.3	L688 E753	L688-R692 WeakPolarHBondContact O-CB 3.23Å; L688-R692 PolarHBondContact O-N 2.91Å; R692-E753 IonicContact CZ-OE1 2.81Å; R692-E753 IonicContact CZ-OE2 3.39Å; R692-E753 VanDerWaalsContact CZ-OE2 3.3Å; R692-E753 VanDerWaalsContact NH1-CD 3.27Å; R692-E753 IonicContact NH1-OE1 3Å; R692-E753 PolarHBondContact NH1-OE1 3.24Å; R692-E753 IonicContact NH1-OE2 3.53Å; R692-E753 PolarHBondContact NH1-OE2 2.83Å; R692-E753 IonicContact NH2-OE1 3.1Å; R692-E753 IonicContact NH2-OE2 2.66Å; R692-E753 PolarHBondContact NH2-OE2 3.21Å
693	L	32.7	Very low	31.3	Very low	143 Å²	143	99.2 Å²	99.2	75%	0.749	52%	0.52	S	S	*	.	H	α-helix	trans	-80.7	-29.3	176.9	-89.8	152.4	0	0	0	112.7	K690 V691	K690-L693 PolarHBondContact O-N 2.77Å; V691-L693 VanDerWaalsContact C-N 3.28Å; V691-L693 PolarHBondContact O-N 3.33Å
694	A	31.3	Very low	31	Very low	54 Å²	54	103.3 Å²	103.3	45%	0.446	53%	0.533	S	S	.	.	H	α-helix	trans	-82.2	-24.7	-175.3	0	0	0	0	0	114.2	K690 V691	K690-A694 PolarHBondContact O-N 2.81Å; V691-A694 PolarHBondContact O-N 3.39Å
695	N	30.6	Very low	30.9	Very low	99 Å²	99	107.8 Å²	107.8	53%	0.529	55%	0.547	S	S	.	.	S	Bend	trans	-122.6	13.3	-164.3	-73	-30.8	0	0	0	116.4	V691 P697	V691-N695 PolarHBondContact O-N 3.08Å; N695-P697 WeakPolarHBondContact O-CD 3.18Å
696	S	31.9	Very low	30.7	Very low	40 Å²	40	107.8 Å²	107.8	28%	0.28	56%	0.557	S	S	.	*			trans	-79.2	126.7	171.5	79.2	0	0	0	0	110.8	E698 S699 V700	S696-E698 PolarHBondContact O-N 3.24Å; S696-S699 PolarHBondContact O-N 2.94Å; S696-S699 PolarHBondContact O-OG 2.94Å; S696-S699 PolarHBondContact OG-N 3.44Å; S696-V700 PolarHBondContact O-N 2.54Å
697	P	33.7	Very low	30.5	Very low	81 Å²	81	103.8 Å²	103.8	53%	0.526	55%	0.548	S	S	.	.	H	α-helix	trans	-58.6	-27.1	175.3	-24.2	33.8	0	0	0	112.8	N695 S699 V700 F701	N695-P697 WeakPolarHBondContact O-CD 3.18Å; P697-S699 VanDerWaalsContact C-N 3.3Å; P697-S699 PolarHBondContact O-N 3.49Å; P697-V700 PolarHBondContact O-N 3.46Å; P697-F701 WeakPolarHBondContact O-CB 3.24Å; P697-F701 PolarHBondContact O-N 3.32Å
698	E	34.1	Very low	30.3	Very low	136 Å²	136	105.6 Å²	105.6	64%	0.636	57%	0.567	S	S	*	*	H	α-helix	trans	-64.1	-32.2	175	-73.1	99.9	-175.1	0	0	112.9	S696 R702	S696-E698 PolarHBondContact O-N 3.24Å; E698-R702 WeakPolarHBondContact O-CB 2.69Å; E698-R702 WeakPolarHBondContact O-CG 3.46Å; E698-R702 PolarHBondContact O-N 2.91Å
699	S	34.2	Very low	30.2	Very low	48 Å²	48	114.9 Å²	114.9	34%	0.336	60%	0.598	S	S	.	*	H	α-helix	trans	-74.1	-40.2	176	78.1	0	0	0	0	111	S696 P697 T703	S696-S699 PolarHBondContact O-N 2.94Å; S696-S699 PolarHBondContact O-OG 2.94Å; S696-S699 PolarHBondContact OG-N 3.44Å; P697-S699 VanDerWaalsContact C-N 3.3Å; P697-S699 PolarHBondContact O-N 3.49Å; S699-T703 WeakPolarHBondContact O-CB 3.49Å; S699-T703 PolarHBondContact O-N 2.72Å; S699-T703 PolarHBondContact O-OG1 2.75Å
700	V	34.1	Very low	29.9	Very low	84 Å²	84	115.1 Å²	115.1	51%	0.509	60%	0.604	S	S	.	*	H	α-helix	trans	-67.9	-41.1	176.8	-176.8	0	0	0	0	111.2	S696 P697	S696-V700 PolarHBondContact O-N 2.54Å; P697-V700 PolarHBondContact O-N 3.46Å
701	F	28.3	Very low	29.9	Very low	147 Å²	147	118.3 Å²	118.3	65%	0.645	61%	0.612	S	S	*	*	H	α-helix	trans	-79.6	-38.8	-176.4	-160.7	-88.9	0	0	0	112.9	P697 T703 F704	P697-F701 WeakPolarHBondContact O-CB 3.24Å; P697-F701 PolarHBondContact O-N 3.32Å; F701-T703 VanDerWaalsContact C-N 3.26Å; F701-T703 PolarHBondContact O-N 2.81Å; F701-F704 WeakPolarHBondContact O-CB 3.32Å; F701-F704 PolarHBondContact O-N 2.76Å; F701-F704 VanDerWaalsContact O-N 3.08Å
702	R	28.8	Very low	29.9	Very low	195 Å²	195	120.5 Å²	120.5	74%	0.736	63%	0.628	S	S	*	*	H	α-helix	trans	-65	-32.8	174.7	-78.6	-172.2	178.6	-158.9	0.6	112.2	E698 F704 H705 S706	E698-R702 WeakPolarHBondContact O-CB 2.69Å; E698-R702 WeakPolarHBondContact O-CG 3.46Å; E698-R702 PolarHBondContact O-N 2.91Å; R702-F704 PolarHBondContact O-N 3.01Å; R702-H705 PolarHBondContact O-N 3.27Å; R702-S706 PolarHBondContact O-N 3.4Å; R702-S706 PolarHBondContact O-OG 2.9Å
703	T	30	Very low	29.9	Very low	100 Å²	100	122.6 Å²	122.6	61%	0.613	64%	0.641	S	S	*	*	H	α-helix	trans	-68.2	-22.3	175.6	-47.2	0	0	0	0	111.9	S699 F701	S699-T703 WeakPolarHBondContact O-CB 3.49Å; S699-T703 PolarHBondContact O-N 2.72Å; S699-T703 PolarHBondContact O-OG1 2.75Å; F701-T703 VanDerWaalsContact C-N 3.26Å; F701-T703 PolarHBondContact O-N 2.81Å
704	F	27	Very low	30.1	Very low	145 Å²	145	120.8 Å²	120.8	64%	0.636	64%	0.636	S	S	*	*	H	α-helix	trans	-74	-29.3	-180	-113.5	-88.2	0	0	0	114.2	F701 R702	F701-F704 WeakPolarHBondContact O-CB 3.32Å; F701-F704 PolarHBondContact O-N 2.76Å; F701-F704 VanDerWaalsContact O-N 3.08Å; R702-F704 PolarHBondContact O-N 3.01Å
705	H	27	Very low	30.3	Very low	163 Å²	163	126.3 Å²	126.3	76%	0.755	65%	0.651	S	S	*	*	H	α-helix	trans	-108.3	-15	-174.2	-103.3	-71.2	0	0	0	115.8	R702	R702-H705 PolarHBondContact O-N 3.27Å
706	S	27.1	Very low	30.9	Very low	94 Å²	94	125.9 Å²	125.9	66%	0.657	65%	0.648	S	S	*	*	S	Bend	trans	-95.7	6.9	-178.1	62.1	0	0	0	0	115	R702	R702-S706 PolarHBondContact O-N 3.4Å; R702-S706 PolarHBondContact O-OG 2.9Å
707	S	27.8	Very low	31.2	Very low	61 Å²	61	127 Å²	127	43%	0.427	66%	0.66	S	S	.	*			trans	-146.2	80.6	-178.8	-61	0	0	0	0	111.8	R709 A710	S707-R709 PolarHBondContact O-N 3.3Å; S707-A710 PolarHBondContact O-N 2.87Å
708	A	26.9	Very low	31.4	Very low	109 Å²	109	128.4 Å²	128.4	90%	0.901	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	13.9	173.4	0	0	0	0	0	115.1
709	R	27.8	Very low	31.9	Very low	252 Å²	252	124.5 Å²	124.5	95%	0.951	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.2	11.5	180	-67.5	-171.5	-177.1	175.4	1.2	115.1	S707	S707-R709 PolarHBondContact O-N 3.3Å
710	A	26.3	Very low	32.3	Very low	72 Å²	72	123 Å²	123	60%	0.595	63%	0.632	S	S	*	*	S	Bend	trans	-112.9	105	-178.5	0	0	0	0	0	112.8	S707	S707-A710 PolarHBondContact O-N 2.87Å
711	R	29.5	Very low	32.8	Very low	230 Å²	230	124.5 Å²	124.5	87%	0.868	63%	0.629	S	S	*	*			trans	28.4	110.8	150.1	-64.3	179.7	-179.1	173.4	1.1	117.1	F713	R711-F713 PolarHBondContact O-N 2.91Å
712	P	31.4	Very low	33.6	Very low	125 Å²	125	123.6 Å²	123.6	81%	0.812	63%	0.625	S	S	*	*			trans	-65.9	111.5	173.3	27	-30.1	0	0	0	109	T714	P712-T714 PolarHBondContact O-N 3.42Å; P712-T714 VanDerWaalsContact O-N 3.15Å
713	F	27.6	Very low	34.3	Very low	197 Å²	197	116.3 Å²	116.3	86%	0.864	60%	0.599	S	S	*	*			trans	-46.3	125.3	159.9	-106.1	-96.8	0	0	0	107.6	R711 F715	R711-F713 PolarHBondContact O-N 2.91Å; F713-F715 PolarHBondContact O-N 3.43Å
714	T	36.4	Very low	35	Very low	105 Å²	105	112.4 Å²	112.4	64%	0.644	57%	0.574	S	S	*	*			trans	-43.3	130.6	-168.3	50.8	0	0	0	0	111.5	P712 D716	P712-T714 PolarHBondContact O-N 3.42Å; P712-T714 VanDerWaalsContact O-N 3.15Å; T714-D716 PolarHBondContact O-N 2.75Å
715	F	36.6	Very low	36	Very low	170 Å²	170	108.9 Å²	108.9	75%	0.746	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-43.1	-12.9	177.2	-169.6	-96.5	0	0	0	115.6	F713 Q719	F713-F715 PolarHBondContact O-N 3.43Å; F715-Q719 WeakPolarHBondContact O-CB 3.46Å; F715-Q719 PolarHBondContact O-N 2.97Å
716	D	41.3	Very low	36.9	Very low	90 Å²	90	105.4 Å²	105.4	48%	0.481	55%	0.554	S	S	.	*	H	α-helix	trans	-67.5	-50	-176.8	-115.7	-12.7	0	0	0	114.4	T714 L718 Q719 L720	T714-D716 PolarHBondContact O-N 2.75Å; D716-L718 VanDerWaalsContact C-N 3.27Å; D716-L718 PolarHBondContact O-N 2.99Å; D716-Q719 PolarHBondContact O-N 3.17Å; D716-L720 HydrophobicContact CB-CD1 4.29Å; D716-L720 WeakPolarHBondContact O-CB 3.32Å; D716-L720 WeakPolarHBondContact O-CD1 3.41Å; D716-L720 WeakPolarHBondContact O-CG 3.4Å; D716-L720 PolarHBondContact O-N 3.27Å
717	A	38.3	Very low	37.9	Very low	64 Å²	64	103.4 Å²	103.4	53%	0.529	54%	0.537	S	S	.	.	H	α-helix	trans	-60	-39.8	-175	0	0	0	0	0	112.4	L720 W721	A717-L720 CarbonylContact O-C 3.55Å; A717-L720 WeakPolarHBondContact O-CB 3.4Å; A717-L720 PolarHBondContact O-N 3.49Å; A717-W721 VanDerWaalsContact O-CD1 3.32Å; A717-W721 PolarHBondContact O-N 3.14Å
718	L	39.6	Very low	38.7	Very low	110 Å²	110	101.2 Å²	101.2	58%	0.576	52%	0.521	S	S	*	.	H	α-helix	trans	-75.5	-37.3	-178.1	-149.3	143.5	0	0	0	111.7	D716 W721	D716-L718 VanDerWaalsContact C-N 3.27Å; D716-L718 PolarHBondContact O-N 2.99Å; L718-W721 PolarHBondContact O-N 3.28Å
719	Q	44.1	Very low	39.6	Very low	53 Å²	53	102.8 Å²	102.8	25%	0.248	50%	0.503	C	S	.	.	H	α-helix	trans	-58.5	-57.1	167.2	-168.3	68	5.5	0	0	107.7	R347 Y348 F715 D716 W721 K722	R347-Q719 PolarHBondContact NH1-O 3.5Å; R347-Q719 PolarHBondContact NH2-O 3.29Å; Y348-Q719 WeakPolarHBondContact OH-CG 3.06Å; Y348-Q719 PolarHBondContact OH-NE2 3.32Å; F715-Q719 WeakPolarHBondContact O-CB 3.46Å; F715-Q719 PolarHBondContact O-N 2.97Å; D716-Q719 PolarHBondContact O-N 3.17Å; Q719-W721 CarbonylContact O-C 3.32Å; Q719-W721 PolarHBondContact O-N 3.08Å; Q719-K722 WeakPolarHBondContact O-CB 3.34Å; Q719-K722 PolarHBondContact O-N 3.22Å
720	L	43.3	Very low	40.5	Very low	17 Å²	17	94.7 Å²	94.7	9%	0.089	48%	0.476	C	S	.	.	H	α-helix	trans	-53.8	-13.8	179.8	-70	169.8	0	0	0	117.4	P346 R347 D716 A717 M724	P346-L720 HydrophobicContact CB-CD2 4.35Å; P346-L720 HydrophobicContact CG-CD2 3.62Å; P346-L720 WeakPolarHBondContact O-CD2 3.22Å; R347-L720 HydrophobicContact CB-CD2 3.7Å; R347-L720 HydrophobicContact CG-CD2 4.21Å; R347-L720 VanDerWaalsContact CZ-C 3.44Å; R347-L720 PolarHBondContact NH2-O 3.25Å; D716-L720 HydrophobicContact CB-CD1 4.29Å; D716-L720 WeakPolarHBondContact O-CB 3.32Å; D716-L720 WeakPolarHBondContact O-CD1 3.41Å; D716-L720 WeakPolarHBondContact O-CG 3.4Å; D716-L720 PolarHBondContact O-N 3.27Å; A717-L720 CarbonylContact O-C 3.55Å; A717-L720 WeakPolarHBondContact O-CB 3.4Å; A717-L720 PolarHBondContact O-N 3.49Å; L720-M724 WeakPolarHBondContact O-CG 3.5Å
721	W	43.8	Very low	41.4	Very low	115 Å²	115	92.9 Å²	92.9	44%	0.436	46%	0.458	S	S	.	.	H	α-helix	trans	-82.8	-44.6	163.6	-92.8	71.2	0	0	0	114.3	Y44 R347 A717 L718 Q719 E723 M724 L725	Y44-W721 HydrophobicContact CD2-CH2 4.25Å; Y44-W721 HydrophobicContact CE1-CH2 4.35Å; Y44-W721 HydrophobicContact CE1-CZ3 4.06Å; Y44-W721 AromaticContact CE2-CH2 3.27Å; Y44-W721 HydrophobicContact CE2-CH2 3.27Å; Y44-W721 HydrophobicContact CE2-CZ2 4.16Å; Y44-W721 AromaticContact CE2-CZ3 3.83Å; Y44-W721 HydrophobicContact CE2-CZ3 3.83Å; Y44-W721 AromaticContact CZ-CH2 3.36Å; Y44-W721 AromaticContact CZ-CZ3 3.41Å; Y44-W721 VanDerWaalsContact CZ-CZ3 3.41Å; Y44-W721 WeakPolarHBondContact OH-CH2 3.12Å; Y44-W721 WeakPolarHBondContact OH-CZ3 3.23Å; R347-W721 VanDerWaalsContact NH2-N 3.18Å; R347-W721 PolarHBondContact NH2-O 3.4Å; A717-W721 VanDerWaalsContact O-CD1 3.32Å; A717-W721 PolarHBondContact O-N 3.14Å; L718-W721 PolarHBondContact O-N 3.28Å; Q719-W721 CarbonylContact O-C 3.32Å; Q719-W721 PolarHBondContact O-N 3.08Å; W721-E723 PolarHBondContact O-N 3.2Å; W721-M724 PolarHBondContact O-N 3.31Å; W721-L725 HydrophobicContact CE3-CD1 4.25Å; W721-L725 WeakPolarHBondContact O-CD1 3.47Å; W721-L725 PolarHBondContact O-N 3.36Å
722	K	44.1	Very low	42	Very low	129 Å²	129	90.2 Å²	90.2	56%	0.561	45%	0.453	S	S	*	.	H	α-helix	trans	-53.7	-40.6	-175	-71.3	179.2	174.7	177.6	0	118.9	Q719 L725	Q719-K722 WeakPolarHBondContact O-CB 3.34Å; Q719-K722 PolarHBondContact O-N 3.22Å; K722-L725 WeakPolarHBondContact O-CB 3.47Å
723	E	44.9	Very low	42.7	Very low	41 Å²	41	88 Å²	88	19%	0.192	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	0.2	166.6	-42.2	141.5	-137.6	0	0	116.8	V67 R347 Y348 W721 L725 P726	V67-E723 WeakPolarHBondContact CG1-O 3.2Å; R347-E723 WeakPolarHBondContact CD-OE2 3.33Å; R347-E723 WeakPolarHBondContact CG-OE2 3.31Å; R347-E723 VanDerWaalsContact CZ-CA 3.41Å; R347-E723 VanDerWaalsContact CZ-CG 3.46Å; R347-E723 IonicContact CZ-OE1 3.64Å; R347-E723 IonicContact CZ-OE2 2.91Å; R347-E723 IonicContact NE-OE1 3.01Å; R347-E723 IonicContact NE-OE2 2.71Å; R347-E723 PolarHBondContact NE-OE2 3.26Å; R347-E723 VanDerWaalsContact NE-OE2 3.13Å; R347-E723 VanDerWaalsContact NH1-N 3.15Å; R347-E723 IonicContact NH1-OE1 3.85Å; R347-E723 PolarHBondContact NH1-OE1 2.68Å; R347-E723 IonicContact NH1-OE2 3.82Å; R347-E723 PolarHBondContact NH1-OE2 3.2Å; Y348-E723 WeakPolarHBondContact CD1-OE2 3.24Å; Y348-E723 HydrophobicContact CD2-CG 4.47Å; Y348-E723 WeakPolarHBondContact CD2-OE1 3.47Å; Y348-E723 WeakPolarHBondContact CD2-OE2 3.35Å; Y348-E723 VanDerWaalsContact CE1-OE1 3.23Å; Y348-E723 WeakPolarHBondContact CE1-OE1 3.23Å; Y348-E723 VanDerWaalsContact CE1-OE2 3.23Å; Y348-E723 WeakPolarHBondContact CE1-OE2 3.34Å; Y348-E723 HydrophobicContact CE2-CG 4.41Å; Y348-E723 WeakPolarHBondContact CE2-OE1 3Å; Y348-E723 VanDerWaalsContact CE2-OE2 3.25Å; Y348-E723 WeakPolarHBondContact CE2-OE2 2.83Å; Y348-E723 PolarHBondContact OH-OE1 3.39Å; W721-E723 PolarHBondContact O-N 3.2Å; E723-L725 VanDerWaalsContact C-N 3.33Å; E723-P726 VanDerWaalsContact CA-CD 3.45Å; E723-P726 VanDerWaalsContact O-CD 3.3Å; E723-P726 WeakPolarHBondContact O-CD 3.27Å
724	M	43.6	Very low	43.9	Very low	19 Å²	19	81.6 Å²	81.6	9%	0.094	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-34.7	156.7	-84.9	-153.8	82.1	0	0	109.4	V67 Y345 P346 L720 W721 P726 V727 L728	V67-M724 HydrophobicContact CG2-CE 4.03Å; V67-M724 HydrophobicContact CG2-CG 3.72Å; V67-M724 HydrophobicContact CG2-SD 4.4Å; Y345-M724 HydrophobicContact CD1-CE 3.9Å; Y345-M724 HydrophobicContact CD1-CG 4.27Å; Y345-M724 HydrophobicContact CD1-SD 3.18Å; Y345-M724 WeakPolarHBondContact CD1-SD 3.25Å; Y345-M724 HydrophobicContact CE1-CE 3.26Å; Y345-M724 HydrophobicContact CE1-SD 3.25Å; Y345-M724 WeakPolarHBondContact CE1-SD 2.72Å; Y345-M724 HydrophobicContact CG-SD 4.23Å; P346-M724 HydrophobicContact CG-CG 4.5Å; L720-M724 WeakPolarHBondContact O-CG 3.5Å; W721-M724 PolarHBondContact O-N 3.31Å; M724-P726 VanDerWaalsContact C-N 3.28Å; M724-P726 VanDerWaalsContact O-N 3.11Å; M724-V727 PolarHBondContact O-N 2.92Å; M724-L728 HydrophobicContact CB-CD1 3.81Å; M724-L728 HydrophobicContact CB-CG 4.16Å; M724-L728 HydrophobicContact CE-CD1 3.71Å; M724-L728 HydrophobicContact CE-CD2 3.8Å; M724-L728 HydrophobicContact CE-CG 3.76Å; M724-L728 WeakPolarHBondContact O-CB 3.5Å; M724-L728 PolarHBondContact O-N 3.24Å; M724-L728 HydrophobicContact SD-CD1 4.15Å
725	L	49.3	Very low	44.8	Very low	70 Å²	70	80.1 Å²	80.1	37%	0.366	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-31.9	178.3	-104.4	106.1	0	0	0	116.2	W721 K722 E723 F732	W721-L725 HydrophobicContact CE3-CD1 4.25Å; W721-L725 WeakPolarHBondContact O-CD1 3.47Å; W721-L725 PolarHBondContact O-N 3.36Å; K722-L725 WeakPolarHBondContact O-CB 3.47Å; E723-L725 VanDerWaalsContact C-N 3.33Å; L725-F732 HydrophobicContact CD2-CE2 4.33Å
726	P	46	Very low	46.2	Very low	91 Å²	91	77 Å²	77	59%	0.591	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-25.9	173.6	-20.6	34.2	0	0	0	114.3	E723 M724	E723-P726 VanDerWaalsContact CA-CD 3.45Å; E723-P726 VanDerWaalsContact O-CD 3.3Å; E723-P726 WeakPolarHBondContact O-CD 3.27Å; M724-P726 VanDerWaalsContact C-N 3.28Å; M724-P726 VanDerWaalsContact O-N 3.11Å
727	V	46.9	Very low	47.7	Very low	51 Å²	51	74.5 Å²	74.5	31%	0.309	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-36.7	-180	-175.8	0	0	0	0	111	V67 M724	V67-V727 HydrophobicContact CG1-CG2 3.87Å; M724-V727 PolarHBondContact O-N 2.92Å
728	L	45.6	Very low	49.7	Very low	16 Å²	16	76.5 Å²	76.5	8%	0.084	41%	0.409	C	S	.	.	S	Bend	trans	-77.2	124	171.9	-63.7	-178.3	0	0	0	108.8	Y44 M45 T57 M724 Q730	Y44-L728 HydrophobicContact CD1-CD1 4.26Å; Y44-L728 HydrophobicContact CG-CD1 4.29Å; M45-L728 WeakPolarHBondContact O-CA 3.42Å; T57-L728 HydrophobicContact CG2-CD2 3.38Å; M724-L728 HydrophobicContact CB-CD1 3.81Å; M724-L728 HydrophobicContact CB-CG 4.16Å; M724-L728 HydrophobicContact CE-CD1 3.71Å; M724-L728 HydrophobicContact CE-CD2 3.8Å; M724-L728 HydrophobicContact CE-CG 3.76Å; M724-L728 WeakPolarHBondContact O-CB 3.5Å; M724-L728 PolarHBondContact O-N 3.24Å; M724-L728 HydrophobicContact SD-CD1 4.15Å; L728-Q730 PolarHBondContact O-N 3.14Å; L728-Q730 VanDerWaalsContact O-N 3.13Å
729	W	44.9	Very low	51.9	Low	142 Å²	142	71.6 Å²	71.6	54%	0.538	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-79.6	99.6	168.2	-143.2	68.1	0	0	0	107.4	M45 P731 L734	M45-W729 HydrophobicContact CE-CE3 4.11Å; M45-W729 PolarHBondContact O-N 3.08Å; W729-P731 HydrophobicContact CD2-CB 4.2Å; W729-P731 HydrophobicContact CD2-CG 4.37Å; W729-P731 HydrophobicContact CE3-CB 3.62Å; W729-P731 HydrophobicContact CE3-CG 3.47Å; W729-P731 VanDerWaalsContact CE3-CG 3.47Å; W729-P731 HydrophobicContact CH2-CB 3.56Å; W729-P731 HydrophobicContact CH2-CG 4.18Å; W729-P731 HydrophobicContact CZ2-CB 4.13Å; W729-P731 HydrophobicContact CZ3-CB 3.3Å; W729-P731 HydrophobicContact CZ3-CG 3.38Å; W729-P731 WeakPolarHBondContact O-CD 3.34Å; W729-L734 HydrophobicContact CH2-CD2 4.24Å; W729-L734 HydrophobicContact CZ3-CD2 4.05Å
730	Q	46.3	Very low	54.1	Low	82 Å²	82	73.9 Å²	73.9	38%	0.383	39%	0.393	S	S	.	.			trans	-103.9	94.9	159.1	-165.6	178.7	18.5	0	0	107.1	Y44 L728 F732	Y44-Q730 HydrophobicContact CD1-CB 4.13Å; Y44-Q730 HydrophobicContact CD1-CG 4.35Å; Y44-Q730 HydrophobicContact CE1-CB 3.79Å; Y44-Q730 HydrophobicContact CE1-CG 3.7Å; Y44-Q730 PolarHBondContact OH-NE2 2.86Å; L728-Q730 PolarHBondContact O-N 3.14Å; L728-Q730 VanDerWaalsContact O-N 3.13Å; Q730-F732 PolarHBondContact O-N 2.85Å
731	P	45.4	Very low	56.5	Low	33 Å²	33	73.1 Å²	73.1	21%	0.214	39%	0.389	C	S	.	.			trans	-68.4	106.6	-179.6	26.6	-33.7	0	0	0	109.9	W729 G733 L734	W729-P731 HydrophobicContact CD2-CB 4.2Å; W729-P731 HydrophobicContact CD2-CG 4.37Å; W729-P731 HydrophobicContact CE3-CB 3.62Å; W729-P731 HydrophobicContact CE3-CG 3.47Å; W729-P731 VanDerWaalsContact CE3-CG 3.47Å; W729-P731 HydrophobicContact CH2-CB 3.56Å; W729-P731 HydrophobicContact CH2-CG 4.18Å; W729-P731 HydrophobicContact CZ2-CB 4.13Å; W729-P731 HydrophobicContact CZ3-CB 3.3Å; W729-P731 HydrophobicContact CZ3-CG 3.38Å; W729-P731 WeakPolarHBondContact O-CD 3.34Å; P731-G733 PolarHBondContact O-N 3.21Å; P731-L734 HydrophobicContact CB-CD1 4.1Å; P731-L734 HydrophobicContact CB-CD2 3.57Å; P731-L734 HydrophobicContact CB-CG 3.47Å; P731-L734 VanDerWaalsContact CB-CG 3.47Å; P731-L734 HydrophobicContact CG-CD1 3.28Å; P731-L734 HydrophobicContact CG-CD2 3.65Å; P731-L734 HydrophobicContact CG-CG 3.26Å
732	F	42.1	Very low	58.9	Low	175 Å²	175	71 Å²	71	77%	0.768	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	122	165.8	-82.6	-90.9	0	0	0	108.2	L725 Q730	L725-F732 HydrophobicContact CD2-CE2 4.33Å; Q730-F732 PolarHBondContact O-N 2.85Å
733	G	46.7	Very low	61.3	Low	77 Å²	77	64.9 Å²	64.9	79%	0.794	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	40.7	176.2	0	0	0	0	0	114.4	P731	P731-G733 PolarHBondContact O-N 3.21Å
734	L	51.9	Low	63.6	Low	64 Å²	64	63.7 Å²	63.7	34%	0.335	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-52.6	142.1	162.3	-79	176.2	0	0	0	109.2	F37 W729 P731	F37-L734 HydrophobicContact CD1-CD1 4.17Å; F37-L734 HydrophobicContact CE1-CD1 3.79Å; W729-L734 HydrophobicContact CH2-CD2 4.24Å; W729-L734 HydrophobicContact CZ3-CD2 4.05Å; P731-L734 HydrophobicContact CB-CD1 4.1Å; P731-L734 HydrophobicContact CB-CD2 3.57Å; P731-L734 HydrophobicContact CB-CG 3.47Å; P731-L734 VanDerWaalsContact CB-CG 3.47Å; P731-L734 HydrophobicContact CG-CD1 3.28Å; P731-L734 HydrophobicContact CG-CD2 3.65Å; P731-L734 HydrophobicContact CG-CG 3.26Å
735	P	56.6	Low	65.9	Low	74 Å²	74	65.8 Å²	65.8	48%	0.481	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-53.7	145.3	161.1	-13.3	25.3	0	0	0	108.8	D737	P735-D737 PolarHBondContact O-N 3.47Å
736	P	66.4	Low	67.9	Low	104 Å²	104	66 Å²	66	68%	0.675	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-52.2	142.2	175.3	22.5	-32.5	0	0	0	110.1	T738	P736-T738 WeakPolarHBondContact O-CG2 3.47Å; P736-T738 PolarHBondContact O-N 3.12Å
737	D	72.2	Confident	70	Confident	37 Å²	37	65.8 Å²	65.8	20%	0.198	37%	0.368	C	S	.	.			trans	-62.7	109.9	173.7	-172.8	-2.6	0	0	0	107.8	F37 P735 R739 V747 G748	F37-D737 HydrophobicContact CD2-CB 4.47Å; F37-D737 WeakPolarHBondContact CD2-OD2 3.41Å; P735-D737 PolarHBondContact O-N 3.47Å; D737-R739 VanDerWaalsContact C-N 3.34Å; D737-R739 WeakPolarHBondContact OD1-CB 3.25Å; D737-R739 VanDerWaalsContact OD1-CG 3.26Å; D737-R739 WeakPolarHBondContact OD1-CG 3.44Å; D737-R739 IonicContact OD1-CZ 3.3Å; D737-R739 PolarHBondContact OD1-N 3.08Å; D737-R739 VanDerWaalsContact OD1-N 3.13Å; D737-R739 IonicContact OD1-NE 2.65Å; D737-R739 PolarHBondContact OD1-NE 3.15Å; D737-R739 IonicContact OD1-NH2 2.89Å; D737-R739 IonicContact OD2-CZ 2.87Å; D737-R739 IonicContact OD2-NE 3.49Å; D737-R739 PolarHBondContact OD2-NE 3.42Å; D737-R739 IonicContact OD2-NH2 2.78Å; D737-R739 PolarHBondContact OD2-NH2 2.98Å; D737-V747 WeakPolarHBondContact O-CG1 3.3Å; D737-G748 WeakPolarHBondContact OD2-CA 3.18Å
738	T	79.3	Confident	71.8	Confident	106 Å²	106	63.6 Å²	63.6	65%	0.65	36%	0.356	S	S	*	.			trans	-89.7	-2	-177.5	55.1	0	0	0	0	112.8	P736 Q740	P736-T738 WeakPolarHBondContact O-CG2 3.47Å; P736-T738 PolarHBondContact O-N 3.12Å; T738-Q740 PolarHBondContact O-N 3.35Å
739	R	86	Confident	73.6	Confident	7 Å²	7	63.1 Å²	63.1	3%	0.026	35%	0.354	C	S	.	.			trans	-71.7	124.7	-177	-59.1	176.4	-61.6	152.3	14.4	109.6	D737 V747 G748 D749 L758 W766	D737-R739 VanDerWaalsContact C-N 3.34Å; D737-R739 WeakPolarHBondContact OD1-CB 3.25Å; D737-R739 VanDerWaalsContact OD1-CG 3.26Å; D737-R739 WeakPolarHBondContact OD1-CG 3.44Å; D737-R739 IonicContact OD1-CZ 3.3Å; D737-R739 PolarHBondContact OD1-N 3.08Å; D737-R739 VanDerWaalsContact OD1-N 3.13Å; D737-R739 IonicContact OD1-NE 2.65Å; D737-R739 PolarHBondContact OD1-NE 3.15Å; D737-R739 IonicContact OD1-NH2 2.89Å; D737-R739 IonicContact OD2-CZ 2.87Å; D737-R739 IonicContact OD2-NE 3.49Å; D737-R739 PolarHBondContact OD2-NE 3.42Å; D737-R739 IonicContact OD2-NH2 2.78Å; D737-R739 PolarHBondContact OD2-NH2 2.98Å; R739-V747 CarbonylContact O-C 3.54Å; R739-V747 WeakPolarHBondContact O-CA 3.02Å; R739-G748 PolarHBondContact O-N 3.24Å; R739-D749 IonicContact NH2-OD1 3.55Å; R739-D749 PolarHBondContact NH2-OD1 3.36Å; R739-D749 VanDerWaalsContact NH2-OD1 3.11Å; R739-D749 IonicContact NH2-OD2 3.91Å; R739-L758 HydrophobicContact CB-CD1 3.5Å; R739-L758 VanDerWaalsContact CB-CD1 3.5Å; R739-L758 WeakPolarHBondContact O-CD1 3.04Å; R739-W766 HydrophobicContact CB-CD2 4.31Å; R739-W766 HydrophobicContact CB-CG 4.05Å; R739-W766 VanDerWaalsContact CD-CE2 3.48Å; R739-W766 HydrophobicContact CG-CD2 4.2Å; R739-W766 HydrophobicContact CG-CG 4.36Å; R739-W766 HydrophobicContact CG-CZ2 4.23Å
740	Q	90.2	Very high	75.4	Confident	102 Å²	102	57.1 Å²	57.1	48%	0.477	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-109.6	138	-179.9	-168.2	179.4	19	0	0	110.7	T738 Q742 S745 V747	T738-Q740 PolarHBondContact O-N 3.35Å; Q740-Q742 PolarHBondContact O-N 3.47Å; Q740-S745 VanDerWaalsContact CG-O 3.3Å; Q740-S745 WeakPolarHBondContact CG-O 3.39Å; Q740-S745 PolarHBondContact NE2-O 2.91Å; Q740-V747 HydrophobicContact CB-CG2 4.38Å; Q740-V747 HydrophobicContact CG-CG2 4.16Å
741	C	94.3	Very high	77.1	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-73.3	119.7	171.6	177.6	0	0	0	0	110.4	L743 C744 S745 D746 L758 W766 H768	C741-L743 PolarHBondContact O-N 2.96Å; C741-L743 VanDerWaalsContact O-N 3.16Å; C741-C744 PolarHBondContact O-N 3.29Å; C741-S745 WeakPolarHBondContact O-CA 3.35Å; C741-S745 PolarHBondContact O-N 3.27Å; C741-D746 PolarHBondContact N-O 3Å; C741-L758 HydrophobicContact CB-CD2 3.77Å; C741-W766 CarbonylContact C-O 3.43Å; C741-W766 VanDerWaalsContact CA-O 3.31Å; C741-W766 WeakPolarHBondContact CA-O 3.49Å; C741-H768 WeakPolarHBondContact CB-CE1 3.47Å; C741-H768 WeakPolarHBondContact CB-ND1 3.36Å; C741-H768 PolarHBondContact SG-N 3.4Å; C741-H768 PolarHBondContact SG-ND1 3.27Å
742	Q	93.8	Very high	78.5	Confident	70 Å²	70	58.7 Å²	58.7	33%	0.327	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-19	179.4	-171.6	167.6	-4.2	0	0	113.5	Q740 M761 W766 V767	Q740-Q742 PolarHBondContact O-N 3.47Å; Q742-M761 HydrophobicContact CB-SD 4.26Å; Q742-M761 PolarHBondContact OE1-SD 2.72Å; Q742-W766 PolarHBondContact N-O 3.13Å; Q742-V767 HydrophobicContact CB-CG1 4.26Å
743	L	95.8	Very high	80.1	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.01	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-41.7	-179.6	-57.6	179.6	0	0	0	112.7	C741 V767 C771 A772 A792 A793 A796 G808 T810 H823	C741-L743 PolarHBondContact O-N 2.96Å; C741-L743 VanDerWaalsContact O-N 3.16Å; L743-V767 HydrophobicContact CD1-CB 4.14Å; L743-V767 HydrophobicContact CD1-CG1 4.09Å; L743-V767 HydrophobicContact CD2-CG1 4.5Å; L743-V767 HydrophobicContact CG-CB 4.26Å; L743-V767 HydrophobicContact CG-CG1 3.79Å; L743-C771 HydrophobicContact CB-CB 4.02Å; L743-C771 VanDerWaalsContact CD1-C 3.48Å; L743-C771 HydrophobicContact CD1-CB 3.74Å; L743-C771 HydrophobicContact CG-CB 4.48Å; L743-A772 HydrophobicContact CD1-CB 4.34Å; L743-A792 HydrophobicContact CD2-CB 4.41Å; L743-A793 HydrophobicContact CD2-CB 4.46Å; L743-A796 HydrophobicContact CD2-CB 3.73Å; L743-G808 CarbonylContact O-C 3.59Å; L743-G808 WeakPolarHBondContact O-CA 3.03Å; L743-T810 HydrophobicContact CD2-CG2 4.24Å; L743-H823 PolarHBondContact O-CD2 2.79Å
744	C	93.3	Very high	82	Confident	15 Å²	15	51 Å²	51	10%	0.101	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115	-3.8	-176.5	68.7	0	0	0	0	114.4	C741 D746 H768 H823	C741-C744 PolarHBondContact O-N 3.29Å; C744-D746 PolarHBondContact O-N 2.91Å; C744-H768 PolarHBondContact SG-ND1 3.39Å; C744-H823 HydrophobicContact CB-CB 4.44Å
745	S	91.3	Very high	83.8	Confident	63 Å²	63	48.1 Å²	48.1	44%	0.441	29%	0.286	S	S	.	.			trans	62	4	-177.8	-56.6	0	0	0	0	115.4	Q740 C741	Q740-S745 VanDerWaalsContact CG-O 3.3Å; Q740-S745 WeakPolarHBondContact CG-O 3.39Å; Q740-S745 PolarHBondContact NE2-O 2.91Å; C741-S745 WeakPolarHBondContact O-CA 3.35Å; C741-S745 PolarHBondContact O-N 3.27Å
746	D	91.3	Very high	85.2	Confident	75 Å²	75	44.7 Å²	44.7	40%	0.401	27%	0.265	S	S	.	.			trans	-70.4	143.3	172.3	-73.7	-17.7	0	0	0	111	C741 C744	C741-D746 PolarHBondContact N-O 3Å; C744-D746 PolarHBondContact O-N 2.91Å
747	V	89.4	Confident	86.1	Confident	86 Å²	86	42.2 Å²	42.2	52%	0.521	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-95.6	137.1	-177.9	179.1	0	0	0	0	110.6	D737 R739 Q740	D737-V747 WeakPolarHBondContact O-CG1 3.3Å; R739-V747 CarbonylContact O-C 3.54Å; R739-V747 WeakPolarHBondContact O-CA 3.02Å; Q740-V747 HydrophobicContact CB-CG2 4.38Å; Q740-V747 HydrophobicContact CG-CG2 4.16Å
748	G	84.1	Confident	86.8	Confident	6 Å²	6	40.5 Å²	40.5	6%	0.062	23%	0.233	C	C	.	.	S	Bend	trans	72.9	-174.8	-178.3	0	0	0	0	0	113.7	D737 R739 L758 H768	D737-G748 WeakPolarHBondContact OD2-CA 3.18Å; R739-G748 PolarHBondContact O-N 3.24Å; G748-L758 WeakPolarHBondContact O-CD1 3.3Å; G748-H768 PolarHBondContact O-NE2 3.21Å
749	D	84	Confident	87.2	Confident	6 Å²	6	35.9 Å²	35.9	3%	0.032	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-67	139.7	178.4	-66.5	-31.4	0	0	0	111.6	S36 F37 K39 R739 L758	S36-D749 WeakPolarHBondContact CA-OD2 3.41Å; S36-D749 VanDerWaalsContact CB-OD2 3.24Å; S36-D749 WeakPolarHBondContact CB-OD2 3.46Å; S36-D749 PolarHBondContact OG-OD2 3.49Å; F37-D749 PolarHBondContact N-OD2 3.45Å; K39-D749 WeakPolarHBondContact CE-O 3.25Å; K39-D749 PolarHBondContact NZ-O 3.06Å; R739-D749 IonicContact NH2-OD1 3.55Å; R739-D749 PolarHBondContact NH2-OD1 3.36Å; R739-D749 VanDerWaalsContact NH2-OD1 3.11Å; R739-D749 IonicContact NH2-OD2 3.91Å; D749-L758 PolarHBondContact OD1-N 3.26Å
750	G	82.4	Confident	87.1	Confident	16 Å²	16	36.6 Å²	36.6	17%	0.165	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-80.9	172.1	174	0	0	0	0	0	113.2	S752 G756 H768	G750-S752 PolarHBondContact O-N 3.46Å; G750-G756 VanDerWaalsContact CA-O 3.31Å; G750-G756 WeakPolarHBondContact CA-O 3.45Å; G750-G756 PolarHBondContact N-O 3.41Å; G750-H768 PolarHBondContact N-NE2 3.15Å
751	V	82.1	Confident	86.9	Confident	81 Å²	81	32.2 Å²	32.2	49%	0.491	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-63.2	131.9	171	-179.3	0	0	0	0	108.9	E753 V754 C755 G756	V751-E753 PolarHBondContact O-N 3.5Å; V751-V754 HydrophobicContact CB-CB 4.4Å; V751-V754 HydrophobicContact CB-CG2 4.3Å; V751-V754 HydrophobicContact CG1-CG2 4.49Å; V751-V754 CarbonylContact O-C 3.59Å; V751-V754 WeakPolarHBondContact O-CA 3.47Å; V751-V754 PolarHBondContact O-N 3.33Å; V751-C755 PolarHBondContact O-N 3.4Å; V751-G756 PolarHBondContact O-N 3.15Å
752	S	76	Confident	86.3	Confident	67 Å²	67	33.4 Å²	33.4	47%	0.469	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-37.1	-175.5	-57.1	0	0	0	0	114.1	G750 V754 A848	G750-S752 PolarHBondContact O-N 3.46Å; S752-V754 VanDerWaalsContact C-N 3.26Å; S752-V754 PolarHBondContact O-N 2.96Å; S752-A848 WeakPolarHBondContact O-CA 3.49Å
753	E	76	Confident	85.4	Confident	57 Å²	57	31 Å²	31	27%	0.266	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-4	179	-60.9	178.5	161.5	0	0	113.5	R692 V751 A848	R692-E753 IonicContact CZ-OE1 2.81Å; R692-E753 IonicContact CZ-OE2 3.39Å; R692-E753 VanDerWaalsContact CZ-OE2 3.3Å; R692-E753 VanDerWaalsContact NH1-CD 3.27Å; R692-E753 IonicContact NH1-OE1 3Å; R692-E753 PolarHBondContact NH1-OE1 3.24Å; R692-E753 IonicContact NH1-OE2 3.53Å; R692-E753 PolarHBondContact NH1-OE2 2.83Å; R692-E753 IonicContact NH2-OE1 3.1Å; R692-E753 IonicContact NH2-OE2 2.66Å; R692-E753 PolarHBondContact NH2-OE2 3.21Å; V751-E753 PolarHBondContact O-N 3.5Å; E753-A848 HydrophobicContact CG-CB 4.38Å
754	V	85.6	Confident	84.5	Confident	32 Å²	32	32.4 Å²	32.4	19%	0.194	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-100.5	179.6	-169.9	0	0	0	0	109.2	V751 S752 N770 L824 K825 V828	V751-V754 HydrophobicContact CB-CB 4.4Å; V751-V754 HydrophobicContact CB-CG2 4.3Å; V751-V754 HydrophobicContact CG1-CG2 4.49Å; V751-V754 CarbonylContact O-C 3.59Å; V751-V754 WeakPolarHBondContact O-CA 3.47Å; V751-V754 PolarHBondContact O-N 3.33Å; S752-V754 VanDerWaalsContact C-N 3.26Å; S752-V754 PolarHBondContact O-N 2.96Å; V754-N770 WeakPolarHBondContact O-CB 3.37Å; V754-N770 PolarHBondContact O-ND2 2.98Å; V754-L824 WeakPolarHBondContact O-CD2 3.45Å; V754-K825 HydrophobicContact CG1-CB 4.22Å; V754-K825 HydrophobicContact CG1-CG 4.41Å; V754-V828 HydrophobicContact CG1-CG2 4.38Å
755	C	89.2	Confident	84.2	Confident	4 Å²	4	37 Å²	37	3%	0.027	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-33.1	-177.9	-54	0	0	0	0	112.8	V751 H768 N770	V751-C755 PolarHBondContact O-N 3.4Å; C755-H768 HydrophobicContact CB-CB 3.84Å; C755-H768 WeakPolarHBondContact O-CB 3.29Å; C755-N770 VanDerWaalsContact O-CB 3.24Å; C755-N770 WeakPolarHBondContact O-CB 3.28Å; C755-N770 PolarHBondContact O-N 3.32Å
756	G	85.8	Confident	84.2	Confident	3 Å²	3	34.8 Å²	34.8	3%	0.031	20%	0.199	C	C	.	.			trans	67.4	-165.5	-173.3	0	0	0	0	0	113.5	G750 V751 H768	G750-G756 VanDerWaalsContact CA-O 3.31Å; G750-G756 WeakPolarHBondContact CA-O 3.45Å; G750-G756 PolarHBondContact N-O 3.41Å; V751-G756 PolarHBondContact O-N 3.15Å; G756-H768 PolarHBondContact O-CD2 3.01Å
757	R	85.8	Confident	84.3	Confident	51 Å²	51	31.2 Å²	31.2	19%	0.192	18%	0.18	C	C	.	.	S	Bend	trans	-67.4	156.9	-174.7	59.5	166.3	-177.8	124.4	4.2	114.7	C34 H768 V769 V853	C34-R757 WeakPolarHBondContact O-CD 3.48Å; C34-R757 PolarHBondContact O-NE 2.67Å; C34-R757 VanDerWaalsContact O-NE 3.11Å; C34-R757 PolarHBondContact O-NH1 3.05Å; R757-H768 CarbonylContact O-C 3.6Å; R757-H768 VanDerWaalsContact O-CA 3.27Å; R757-H768 WeakPolarHBondContact O-CA 3.32Å; R757-V769 HydrophobicContact CG-CB 4.22Å; R757-V769 HydrophobicContact CG-CG1 3.84Å; R757-V769 PolarHBondContact O-N 2.85Å; R757-V853 PolarHBondContact NH2-O 3.11Å
758	L	87.7	Confident	84.5	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	135.3	170.3	-71.4	170.9	0	0	0	112.1	R739 C741 G748 D749 W766 V767 H768	R739-L758 HydrophobicContact CB-CD1 3.5Å; R739-L758 VanDerWaalsContact CB-CD1 3.5Å; R739-L758 WeakPolarHBondContact O-CD1 3.04Å; C741-L758 HydrophobicContact CB-CD2 3.77Å; G748-L758 WeakPolarHBondContact O-CD1 3.3Å; D749-L758 PolarHBondContact OD1-N 3.26Å; L758-W766 HydrophobicContact CB-CB 4.27Å; L758-W766 HydrophobicContact CB-CE3 4.08Å; L758-W766 HydrophobicContact CD1-CB 4.38Å; L758-W766 HydrophobicContact CD2-CB 3.92Å; L758-W766 HydrophobicContact CG-CB 4.43Å; L758-V767 CarbonylContact C-O 3.57Å; L758-V767 WeakPolarHBondContact CA-O 3.19Å; L758-H768 WeakPolarHBondContact CD2-CD2 3.42Å
759	L	86.7	Confident	84.8	Confident	9 Å²	9	27.1 Å²	27.1	5%	0.047	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	132.6	170	-55.6	-176.9	0	0	0	108.1	M761 W766 V767 V769 L786 I855	L759-M761 PolarHBondContact O-N 3.19Å; L759-W766 CarbonylContact O-C 3.56Å; L759-W766 VanDerWaalsContact O-CA 3.25Å; L759-W766 WeakPolarHBondContact O-CA 3.33Å; L759-V767 HydrophobicContact CB-CG2 4.37Å; L759-V767 PolarHBondContact N-O 2.72Å; L759-V767 PolarHBondContact O-N 2.84Å; L759-V769 HydrophobicContact CD1-CB 4Å; L759-V769 HydrophobicContact CD1-CG2 4.09Å; L759-V769 HydrophobicContact CD2-CB 4.4Å; L759-V769 HydrophobicContact CG-CB 4.1Å; L759-L786 HydrophobicContact CD1-CD1 4.03Å; L759-I855 HydrophobicContact CB-CD1 3.78Å; L759-I855 HydrophobicContact CB-CG1 4.14Å; L759-I855 HydrophobicContact CD1-CD1 4.41Å; L759-I855 HydrophobicContact CD1-CG1 4.04Å
760	N	84	Confident	85.1	Confident	21 Å²	21	26.9 Å²	26.9	11%	0.112	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	122.9	170.2	177.7	-54.2	0	0	0	107.5	D762 W766 R857	N760-D762 PolarHBondContact OD1-N 3.26Å; N760-D762 PolarHBondContact OD1-O 3.25Å; N760-W766 HydrophobicContact CB-CD2 4.41Å; N760-W766 HydrophobicContact CB-CE3 3.88Å; N760-W766 HydrophobicContact CB-CH2 3.98Å; N760-W766 HydrophobicContact CB-CZ2 4.48Å; N760-W766 HydrophobicContact CB-CZ3 3.65Å; N760-W766 VanDerWaalsContact N-CE3 3.35Å; N760-R857 VanDerWaalsContact C-NH1 3.34Å; N760-R857 PolarHBondContact O-NH1 3.26Å; N760-R857 PolarHBondContact OD1-NH1 3.41Å; N760-R857 VanDerWaalsContact OD1-NH1 3.11Å
761	M	86	Confident	85.7	Confident	11 Å²	11	26.2 Å²	26.2	5%	0.054	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-42.2	175.3	64.4	174	-69.9	0	0	112.3	Q742 L759 R765 V767 E790 A793 I855 R857	Q742-M761 HydrophobicContact CB-SD 4.26Å; Q742-M761 PolarHBondContact OE1-SD 2.72Å; L759-M761 PolarHBondContact O-N 3.19Å; M761-R765 HydrophobicContact CG-CB 3.49Å; M761-R765 VanDerWaalsContact CG-CB 3.49Å; M761-R765 WeakPolarHBondContact CG-O 3.4Å; M761-R765 PolarHBondContact N-O 2.66Å; M761-R765 HydrophobicContact SD-CB 3.95Å; M761-V767 HydrophobicContact CB-CG2 4.45Å; M761-V767 HydrophobicContact CG-CG1 4.38Å; M761-V767 HydrophobicContact SD-CG1 3.54Å; M761-V767 VanDerWaalsContact SD-CG1 3.54Å; M761-E790 WeakPolarHBondContact CE-OE2 3.42Å; M761-A793 HydrophobicContact CE-CB 3.73Å; M761-A793 HydrophobicContact SD-CB 4.46Å; M761-I855 HydrophobicContact CB-CD1 3.62Å; M761-R857 PolarHBondContact O-NH1 2.94Å
762	D	82.7	Confident	86.2	Confident	25 Å²	25	22.3 Å²	22.3	13%	0.134	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	178.5	177.1	-157.6	-12.3	0	0	0	108.3	N760 G764 R765 L862 K865	N760-D762 PolarHBondContact OD1-N 3.26Å; N760-D762 PolarHBondContact OD1-O 3.25Å; D762-G764 PolarHBondContact O-N 2.94Å; D762-G764 VanDerWaalsContact O-N 3.08Å; D762-R765 HydrophobicContact CB-CB 4.27Å; D762-R765 PolarHBondContact O-N 2.88Å; D762-L862 WeakPolarHBondContact OD1-CD1 3.46Å; D762-K865 IonicContact OD1-NZ 3.01Å; D762-K865 IonicContact OD2-NZ 2.79Å; D762-K865 PolarHBondContact OD2-NZ 2.96Å
763	A	75.2	Confident	86.9	Confident	19 Å²	19	20 Å²	20	16%	0.157	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	116.3	176.8	0	0	0	0	0	111.3	R765 L862 L866	A763-R765 PolarHBondContact O-N 2.71Å; A763-R765 VanDerWaalsContact O-N 3.17Å; A763-L862 HydrophobicContact CB-CD1 4.17Å; A763-L862 VanDerWaalsContact N-CD1 3.35Å; A763-L866 HydrophobicContact CB-CD2 3.47Å; A763-L866 VanDerWaalsContact CB-CD2 3.47Å; A763-L866 HydrophobicContact CB-CG 4.17Å
764	G	75.6	Confident	87.6	Confident	31 Å²	31	18.5 Å²	18.5	32%	0.32	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	2.3	-179.1	0	0	0	0	0	115.6	D762	D762-G764 PolarHBondContact O-N 2.94Å; D762-G764 VanDerWaalsContact O-N 3.08Å
765	R	87.4	Confident	87.9	Confident	112 Å²	112	17 Å²	17	42%	0.423	9%	0.086	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.5	-176.2	-63.5	-177.8	-175.9	-178.2	-0.8	111.1	M761 D762 A763	M761-R765 HydrophobicContact CG-CB 3.49Å; M761-R765 VanDerWaalsContact CG-CB 3.49Å; M761-R765 WeakPolarHBondContact CG-O 3.4Å; M761-R765 PolarHBondContact N-O 2.66Å; M761-R765 HydrophobicContact SD-CB 3.95Å; D762-R765 HydrophobicContact CB-CB 4.27Å; D762-R765 PolarHBondContact O-N 2.88Å; A763-R765 PolarHBondContact O-N 2.71Å; A763-R765 VanDerWaalsContact O-N 3.17Å
766	W	90.6	Very high	87.9	Confident	17 Å²	17	18.4 Å²	18.4	6%	0.064	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	152	-174.1	-54.3	81.6	0	0	0	110.9	T26 R739 C741 Q742 L758 L759 N760	T26-W766 HydrophobicContact CG2-CZ2 4.34Å; R739-W766 HydrophobicContact CB-CD2 4.31Å; R739-W766 HydrophobicContact CB-CG 4.05Å; R739-W766 VanDerWaalsContact CD-CE2 3.48Å; R739-W766 HydrophobicContact CG-CD2 4.2Å; R739-W766 HydrophobicContact CG-CG 4.36Å; R739-W766 HydrophobicContact CG-CZ2 4.23Å; C741-W766 CarbonylContact C-O 3.43Å; C741-W766 VanDerWaalsContact CA-O 3.31Å; C741-W766 WeakPolarHBondContact CA-O 3.49Å; Q742-W766 PolarHBondContact N-O 3.13Å; L758-W766 HydrophobicContact CB-CB 4.27Å; L758-W766 HydrophobicContact CB-CE3 4.08Å; L758-W766 HydrophobicContact CD1-CB 4.38Å; L758-W766 HydrophobicContact CD2-CB 3.92Å; L758-W766 HydrophobicContact CG-CB 4.43Å; L759-W766 CarbonylContact O-C 3.56Å; L759-W766 VanDerWaalsContact O-CA 3.25Å; L759-W766 WeakPolarHBondContact O-CA 3.33Å; N760-W766 HydrophobicContact CB-CD2 4.41Å; N760-W766 HydrophobicContact CB-CE3 3.88Å; N760-W766 HydrophobicContact CB-CH2 3.98Å; N760-W766 HydrophobicContact CB-CZ2 4.48Å; N760-W766 HydrophobicContact CB-CZ3 3.65Å; N760-W766 VanDerWaalsContact N-CE3 3.35Å
767	V	94	Very high	88.1	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	145.3	171.2	-64.1	0	0	0	0	109.3	Q742 L743 L758 L759 M761 A772 V789 I855	Q742-V767 HydrophobicContact CB-CG1 4.26Å; L743-V767 HydrophobicContact CD1-CB 4.14Å; L743-V767 HydrophobicContact CD1-CG1 4.09Å; L743-V767 HydrophobicContact CD2-CG1 4.5Å; L743-V767 HydrophobicContact CG-CB 4.26Å; L743-V767 HydrophobicContact CG-CG1 3.79Å; L758-V767 CarbonylContact C-O 3.57Å; L758-V767 WeakPolarHBondContact CA-O 3.19Å; L759-V767 HydrophobicContact CB-CG2 4.37Å; L759-V767 PolarHBondContact N-O 2.72Å; L759-V767 PolarHBondContact O-N 2.84Å; M761-V767 HydrophobicContact CB-CG2 4.45Å; M761-V767 HydrophobicContact CG-CG1 4.38Å; M761-V767 HydrophobicContact SD-CG1 3.54Å; M761-V767 VanDerWaalsContact SD-CG1 3.54Å; V767-A772 HydrophobicContact CG2-CB 4Å; V767-V789 HydrophobicContact CG2-CG1 3.97Å; V767-I855 HydrophobicContact CG2-CD1 3.59Å
768	H	92.9	Very high	88.5	Confident	1 Å²	1	18 Å²	18	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	144.1	172	-63.2	118.4	0	0	0	110.8	C741 C744 G748 G750 C755 G756 R757 L758 N770 C771 A772	C741-H768 WeakPolarHBondContact CB-CE1 3.47Å; C741-H768 WeakPolarHBondContact CB-ND1 3.36Å; C741-H768 PolarHBondContact SG-N 3.4Å; C741-H768 PolarHBondContact SG-ND1 3.27Å; C744-H768 PolarHBondContact SG-ND1 3.39Å; G748-H768 PolarHBondContact O-NE2 3.21Å; G750-H768 PolarHBondContact N-NE2 3.15Å; C755-H768 HydrophobicContact CB-CB 3.84Å; C755-H768 WeakPolarHBondContact O-CB 3.29Å; G756-H768 PolarHBondContact O-CD2 3.01Å; R757-H768 CarbonylContact O-C 3.6Å; R757-H768 VanDerWaalsContact O-CA 3.27Å; R757-H768 WeakPolarHBondContact O-CA 3.32Å; L758-H768 WeakPolarHBondContact CD2-CD2 3.42Å; H768-N770 VanDerWaalsContact C-N 3.29Å; H768-N770 PolarHBondContact O-N 2.92Å; H768-C771 HydrophobicContact CB-CB 4.02Å; H768-C771 PolarHBondContact O-N 3.31Å; H768-A772 PolarHBondContact O-N 3.01Å
769	V	90.8	Very high	88.5	Confident	5 Å²	5	23.9 Å²	23.9	3%	0.03	12%	0.121	C	C	.	.	H	α-helix	trans	-53.2	-46.3	-179.4	60	0	0	0	0	111.8	R757 L759 A772 L773 V849 V853	R757-V769 HydrophobicContact CG-CB 4.22Å; R757-V769 HydrophobicContact CG-CG1 3.84Å; R757-V769 PolarHBondContact O-N 2.85Å; L759-V769 HydrophobicContact CD1-CB 4Å; L759-V769 HydrophobicContact CD1-CG2 4.09Å; L759-V769 HydrophobicContact CD2-CB 4.4Å; L759-V769 HydrophobicContact CG-CB 4.1Å; V769-A772 PolarHBondContact O-N 3.38Å; V769-L773 VanDerWaalsContact O-CB 3.25Å; V769-L773 WeakPolarHBondContact O-CB 3.26Å; V769-L773 PolarHBondContact O-N 3.11Å; V769-V849 HydrophobicContact CG2-CB 4.48Å; V769-V849 HydrophobicContact CG2-CG1 4.27Å; V769-V853 HydrophobicContact CG2-CB 4Å; V769-V853 HydrophobicContact CG2-CG1 4.01Å; V769-V853 HydrophobicContact CG2-CG2 4.49Å
770	N	90.2	Very high	88.6	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-80.1	-28.8	-177.2	-65.1	-15	0	0	0	112.2	V754 C755 H768 A772 W774 L824 L847 V849	V754-N770 WeakPolarHBondContact O-CB 3.37Å; V754-N770 PolarHBondContact O-ND2 2.98Å; C755-N770 VanDerWaalsContact O-CB 3.24Å; C755-N770 WeakPolarHBondContact O-CB 3.28Å; C755-N770 PolarHBondContact O-N 3.32Å; H768-N770 VanDerWaalsContact C-N 3.29Å; H768-N770 PolarHBondContact O-N 2.92Å; N770-A772 VanDerWaalsContact C-N 3.3Å; N770-A772 PolarHBondContact O-N 3.26Å; N770-W774 WeakPolarHBondContact O-CB 3.5Å; N770-W774 VanDerWaalsContact O-CD1 3.22Å; N770-W774 PolarHBondContact O-N 3.06Å; N770-L824 HydrophobicContact CB-CD2 3.35Å; N770-L847 PolarHBondContact ND2-O 3.22Å; N770-L847 PolarHBondContact OD1-O 3.13Å; N770-V849 WeakPolarHBondContact OD1-CG2 3.34Å
771	C	94.4	Very high	88.7	Confident	2 Å²	2	27.5 Å²	27.5	1%	0.014	14%	0.14	C	C	.	.	H	α-helix	trans	-62.1	-42.5	172.2	-66.7	0	0	0	0	110.6	L743 H768 S775	L743-C771 HydrophobicContact CB-CB 4.02Å; L743-C771 VanDerWaalsContact CD1-C 3.48Å; L743-C771 HydrophobicContact CD1-CB 3.74Å; L743-C771 HydrophobicContact CG-CB 4.48Å; H768-C771 HydrophobicContact CB-CB 4.02Å; H768-C771 PolarHBondContact O-N 3.31Å; C771-S775 PolarHBondContact O-N 3.02Å; C771-S775 PolarHBondContact O-OG 3.44Å
772	A	94.2	Very high	88.4	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-69.3	-53.6	175.1	0	0	0	0	0	111.4	L743 V767 H768 V769 N770 W774 S775 V778 L786 V789	L743-A772 HydrophobicContact CD1-CB 4.34Å; V767-A772 HydrophobicContact CG2-CB 4Å; H768-A772 PolarHBondContact O-N 3.01Å; V769-A772 PolarHBondContact O-N 3.38Å; N770-A772 VanDerWaalsContact C-N 3.3Å; N770-A772 PolarHBondContact O-N 3.26Å; A772-W774 VanDerWaalsContact C-N 3.27Å; A772-W774 PolarHBondContact O-N 2.89Å; A772-S775 WeakPolarHBondContact O-CB 3.38Å; A772-S775 PolarHBondContact O-N 3.43Å; A772-S775 VanDerWaalsContact O-N 3.08Å; A772-V778 WeakPolarHBondContact O-CB 3.49Å; A772-V778 VanDerWaalsContact O-CG1 3.25Å; A772-V778 WeakPolarHBondContact O-CG1 3.27Å; A772-V778 WeakPolarHBondContact O-CG2 3.39Å; A772-L786 HydrophobicContact CB-CD1 3.78Å; A772-V789 HydrophobicContact CB-CG1 4.26Å; A772-V789 HydrophobicContact CB-CG2 4.38Å
773	L	90.5	Very high	88.3	Confident	19 Å²	19	40.4 Å²	40.4	10%	0.099	21%	0.205	C	C	.	.	H	α-helix	trans	-55.5	-40.1	-175.1	-177.4	67.4	0	0	0	113	V769 E780 L786 V849	V769-L773 VanDerWaalsContact O-CB 3.25Å; V769-L773 WeakPolarHBondContact O-CB 3.26Å; V769-L773 PolarHBondContact O-N 3.11Å; L773-E780 HydrophobicContact CD1-CB 4.4Å; L773-L786 HydrophobicContact CD1-CD2 3.66Å; L773-V849 HydrophobicContact CD2-CG2 3.55Å
774	W	89.7	Confident	88.7	Confident	25 Å²	25	39.6 Å²	39.6	10%	0.095	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-0.3	-177.6	-64.4	109.9	0	0	0	114.6	N770 A772 I811 L824 F834 L835 L844 L847	N770-W774 WeakPolarHBondContact O-CB 3.5Å; N770-W774 VanDerWaalsContact O-CD1 3.22Å; N770-W774 PolarHBondContact O-N 3.06Å; A772-W774 VanDerWaalsContact C-N 3.27Å; A772-W774 PolarHBondContact O-N 2.89Å; W774-I811 HydrophobicContact CB-CD1 4.35Å; W774-I811 HydrophobicContact CB-CG1 4.08Å; W774-I811 WeakPolarHBondContact O-CG1 3.4Å; W774-L824 HydrophobicContact CB-CD1 4.1Å; W774-L824 HydrophobicContact CG-CD1 4.24Å; W774-F834 HydrophobicContact CD2-CD1 4.25Å; W774-F834 HydrophobicContact CE3-CD1 4.24Å; W774-F834 HydrophobicContact CG-CD1 4.47Å; W774-L835 VanDerWaalsContact CH2-O 3.29Å; W774-L835 WeakPolarHBondContact CH2-O 3.33Å; W774-L835 WeakPolarHBondContact CZ3-O 3.28Å; W774-L844 HydrophobicContact CH2-CD2 3.6Å; W774-L844 HydrophobicContact CZ2-CD2 3.26Å; W774-L847 HydrophobicContact CD2-CD2 4.26Å; W774-L847 HydrophobicContact CG-CD2 4.46Å; W774-L847 HydrophobicContact CZ2-CD2 4.02Å
775	S	92.4	Very high	89.3	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-62.9	141.3	170.7	-68.9	0	0	0	0	110.6	C771 A772 E777 V778 T810 K838	C771-S775 PolarHBondContact O-N 3.02Å; C771-S775 PolarHBondContact O-OG 3.44Å; A772-S775 WeakPolarHBondContact O-CB 3.38Å; A772-S775 PolarHBondContact O-N 3.43Å; A772-S775 VanDerWaalsContact O-N 3.08Å; S775-E777 PolarHBondContact O-N 2.85Å; S775-V778 PolarHBondContact O-N 3.08Å; S775-T810 WeakPolarHBondContact CA-O 3.46Å; S775-T810 VanDerWaalsContact OG-CB 3.25Å; S775-T810 WeakPolarHBondContact OG-CB 3.35Å; S775-T810 PolarHBondContact OG-OG1 3.27Å; S775-K838 PolarHBondContact O-NZ 3.01Å
776	A	89.3	Confident	89.5	Confident	34 Å²	34	32.8 Å²	32.8	28%	0.281	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-45.7	-169.5	0	0	0	0	0	113.1	T810 P812 K838	A776-T810 PolarHBondContact N-O 3.01Å; A776-T810 VanDerWaalsContact N-O 3.08Å; A776-P812 HydrophobicContact CB-CG 3.93Å; A776-K838 PolarHBondContact O-NZ 3.47Å
777	E	90.3	Very high	89.6	Confident	43 Å²	43	33.1 Å²	33.1	20%	0.201	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-11.3	-176.7	53.6	-82.3	177.9	0	0	115.4	S775 N788 Q791 A792 R795	S775-E777 PolarHBondContact O-N 2.85Å; E777-N788 WeakPolarHBondContact O-CB 3.43Å; E777-N788 PolarHBondContact O-ND2 2.65Å; E777-Q791 HydrophobicContact CG-CB 4.35Å; E777-A792 HydrophobicContact CG-CB 4.08Å; E777-A792 WeakPolarHBondContact OE1-CA 2.8Å; E777-A792 VanDerWaalsContact OE1-CB 3.28Å; E777-A792 WeakPolarHBondContact OE1-CB 3.42Å; E777-R795 WeakPolarHBondContact OE1-CD 3.35Å; E777-R795 IonicContact OE2-CZ 3.11Å; E777-R795 IonicContact OE2-NH1 2.62Å; E777-R795 PolarHBondContact OE2-NH1 2.85Å
778	V	93.5	Very high	89.6	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.006	18%	0.178	C	C	.	.			trans	-84.7	133	179.5	173.8	0	0	0	0	109.8	A772 S775 L786 V787 V789 A792 K838	A772-V778 WeakPolarHBondContact O-CB 3.49Å; A772-V778 VanDerWaalsContact O-CG1 3.25Å; A772-V778 WeakPolarHBondContact O-CG1 3.27Å; A772-V778 WeakPolarHBondContact O-CG2 3.39Å; S775-V778 PolarHBondContact O-N 3.08Å; V778-L786 HydrophobicContact CG1-CB 4.11Å; V778-L786 HydrophobicContact CG1-CD2 4.26Å; V778-V787 WeakPolarHBondContact CA-O 3.04Å; V778-V787 WeakPolarHBondContact CG1-O 3.43Å; V778-V789 HydrophobicContact CG1-CG2 4.24Å; V778-V789 HydrophobicContact CG2-CG2 4.26Å; V778-A792 HydrophobicContact CG2-CB 3.78Å; V778-K838 PolarHBondContact O-NZ 2.65Å
779	Y	89	Confident	89.7	Confident	126 Å²	126	35.5 Å²	35.5	49%	0.494	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	162.4	170.9	60.4	-91	0	0	0	109.8	V787 N788	Y779-V787 HydrophobicContact CD2-CB 4.25Å; Y779-V787 HydrophobicContact CD2-CG2 4.47Å; Y779-V787 HydrophobicContact CE1-CB 4.17Å; Y779-V787 HydrophobicContact CE1-CG1 4.17Å; Y779-V787 HydrophobicContact CE2-CB 3.75Å; Y779-V787 HydrophobicContact CE2-CG1 4.17Å; Y779-V787 HydrophobicContact CE2-CG2 3.9Å; Y779-V787 PolarHBondContact O-N 3.12Å; Y779-V787 WeakPolarHBondContact OH-CG1 3.49Å; Y779-N788 WeakPolarHBondContact CE1-ND2 3.34Å
780	E	88.6	Confident	89.8	Confident	69 Å²	69	39.1 Å²	39.1	32%	0.322	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137.4	-176.2	-169.8	-157.7	157.5	0	0	110.6	L773 G784 G785 L786 R851	L773-E780 HydrophobicContact CD1-CB 4.4Å; E780-G784 WeakPolarHBondContact OE1-CA 2.78Å; E780-G785 CarbonylContact C-O 3.6Å; E780-G785 VanDerWaalsContact CA-O 3.3Å; E780-G785 WeakPolarHBondContact CA-O 3.37Å; E780-L786 HydrophobicContact CB-CD2 4.09Å; E780-L786 HydrophobicContact CG-CD2 4.12Å; E780-R851 IonicContact OE1-CZ 3.87Å; E780-R851 IonicContact OE1-NE 2.68Å; E780-R851 IonicContact OE1-NH1 2.56Å; E780-R851 PolarHBondContact OE1-NH1 2.84Å; E780-R851 IonicContact OE1-NH2 2.68Å; E780-R851 IonicContact OE2-CZ 3.37Å; E780-R851 IonicContact OE2-NE 3.53Å; E780-R851 IonicContact OE2-NH1 3.75Å; E780-R851 PolarHBondContact OE2-NH1 3.16Å; E780-R851 IonicContact OE2-NH2 3.59Å; E780-R851 PolarHBondContact OE2-NH2 2.96Å
781	T	86.4	Confident	90	Very high	38 Å²	38	43.4 Å²	43.4	23%	0.233	22%	0.217	C	C	.	.			trans	-80.4	164.6	170.4	58	0	0	0	0	111.5	D783 G784 G785 V787	T781-D783 WeakPolarHBondContact CB-OD1 3.5Å; T781-D783 PolarHBondContact O-N 3.3Å; T781-D783 VanDerWaalsContact O-N 3.13Å; T781-D783 PolarHBondContact OG1-OD1 3.1Å; T781-G784 PolarHBondContact O-N 3.17Å; T781-G785 PolarHBondContact N-O 3.16Å; T781-G785 VanDerWaalsContact OG1-CA 3.23Å; T781-G785 WeakPolarHBondContact OG1-CA 3.43Å; T781-G785 PolarHBondContact OG1-N 2.87Å; T781-G785 PolarHBondContact OG1-O 2.99Å; T781-G785 VanDerWaalsContact OG1-O 3.1Å; T781-V787 HydrophobicContact CG2-CG2 3.75Å
782	M	78.9	Confident	90.1	Very high	201 Å²	201	43.3 Å²	43.3	99%	0.99	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-22.7	-177.5	59.7	-161.2	-72.7	0	0	115.2
783	D	80	Confident	90.1	Very high	105 Å²	105	43.4 Å²	43.4	56%	0.561	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-1.8	177.6	61.3	-35.8	0	0	0	113.6	T781 F854	T781-D783 WeakPolarHBondContact CB-OD1 3.5Å; T781-D783 PolarHBondContact O-N 3.3Å; T781-D783 VanDerWaalsContact O-N 3.13Å; T781-D783 PolarHBondContact OG1-OD1 3.1Å; D783-F854 WeakPolarHBondContact OD2-CZ 3.26Å
784	G	83.9	Confident	90.3	Very high	3 Å²	3	50.2 Å²	50.2	3%	0.031	24%	0.241	C	C	.	.	S	Bend	trans	96.7	11.6	177	0	0	0	0	0	115.5	E780 T781 V853 F854	E780-G784 WeakPolarHBondContact OE1-CA 2.78Å; T781-G784 PolarHBondContact O-N 3.17Å; G784-V853 WeakPolarHBondContact O-CA 3.29Å; G784-F854 PolarHBondContact O-N 2.66Å
785	G	88.4	Confident	90.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	127.7	175.9	0	0	0	0	0	112.3	E780 T781 F854	E780-G785 CarbonylContact C-O 3.6Å; E780-G785 VanDerWaalsContact CA-O 3.3Å; E780-G785 WeakPolarHBondContact CA-O 3.37Å; T781-G785 PolarHBondContact N-O 3.16Å; T781-G785 VanDerWaalsContact OG1-CA 3.23Å; T781-G785 WeakPolarHBondContact OG1-CA 3.43Å; T781-G785 PolarHBondContact OG1-N 2.87Å; T781-G785 PolarHBondContact OG1-O 2.99Å; T781-G785 VanDerWaalsContact OG1-O 3.1Å; G785-F854 CarbonylContact C-O 3.57Å
786	L	92.6	Very high	90.6	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	118.8	174.9	-59.5	-178.5	0	0	0	110	L759 A772 L773 V778 E780 V789 V853 F854 D856	L759-L786 HydrophobicContact CD1-CD1 4.03Å; A772-L786 HydrophobicContact CB-CD1 3.78Å; L773-L786 HydrophobicContact CD1-CD2 3.66Å; V778-L786 HydrophobicContact CG1-CB 4.11Å; V778-L786 HydrophobicContact CG1-CD2 4.26Å; E780-L786 HydrophobicContact CB-CD2 4.09Å; E780-L786 HydrophobicContact CG-CD2 4.12Å; L786-V789 HydrophobicContact CB-CG2 3.69Å; L786-V853 HydrophobicContact CD1-CG1 3.62Å; L786-V853 HydrophobicContact CD2-CG1 3.76Å; L786-V853 HydrophobicContact CG-CG1 3.5Å; L786-F854 WeakPolarHBondContact CB-O 3.39Å; L786-F854 WeakPolarHBondContact CG-O 3.47Å; L786-F854 PolarHBondContact N-O 2.9Å; L786-D856 PolarHBondContact O-N 3.33Å
787	V	92.3	Very high	90.7	Very high	23 Å²	23	54.8 Å²	54.8	14%	0.139	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	155.7	179.4	-172.6	0	0	0	0	109.7	V778 Y779 T781 V789 D856	V778-V787 WeakPolarHBondContact CA-O 3.04Å; V778-V787 WeakPolarHBondContact CG1-O 3.43Å; Y779-V787 HydrophobicContact CD2-CB 4.25Å; Y779-V787 HydrophobicContact CD2-CG2 4.47Å; Y779-V787 HydrophobicContact CE1-CB 4.17Å; Y779-V787 HydrophobicContact CE1-CG1 4.17Å; Y779-V787 HydrophobicContact CE2-CB 3.75Å; Y779-V787 HydrophobicContact CE2-CG1 4.17Å; Y779-V787 HydrophobicContact CE2-CG2 3.9Å; Y779-V787 PolarHBondContact O-N 3.12Å; Y779-V787 WeakPolarHBondContact OH-CG1 3.49Å; T781-V787 HydrophobicContact CG2-CG2 3.75Å; V787-V789 VanDerWaalsContact C-N 3.26Å; V787-V789 PolarHBondContact O-N 3.43Å; V787-D856 HydrophobicContact CG2-CB 4.09Å
788	N	94.1	Very high	90.8	Very high	46 Å²	46	59.6 Å²	59.6	25%	0.246	29%	0.293	C	S	.	.	S	Bend	trans	65.7	15	179.9	-66	-17.1	0	0	0	116.4	E777 Y779 E790 Q791 A792	E777-N788 WeakPolarHBondContact O-CB 3.43Å; E777-N788 PolarHBondContact O-ND2 2.65Å; Y779-N788 WeakPolarHBondContact CE1-ND2 3.34Å; N788-E790 PolarHBondContact O-N 3.13Å; N788-Q791 HydrophobicContact CB-CB 4.38Å; N788-Q791 HydrophobicContact CB-CG 4.44Å; N788-Q791 WeakPolarHBondContact O-CA 3.48Å; N788-Q791 WeakPolarHBondContact O-CB 3.18Å; N788-Q791 PolarHBondContact O-N 3.35Å; N788-Q791 PolarHBondContact OD1-NE2 3.2Å; N788-A792 PolarHBondContact O-N 3.37Å; N788-A792 VanDerWaalsContact O-N 3.13Å
789	V	94.3	Very high	90.9	Very high	5 Å²	5	60.5 Å²	60.5	3%	0.03	30%	0.299	C	S	.	.	H	α-helix	trans	-58	-36	177.8	-175.6	0	0	0	0	112.2	V767 A772 V778 L786 V787 Q791 A792 A793 I855	V767-V789 HydrophobicContact CG2-CG1 3.97Å; A772-V789 HydrophobicContact CB-CG1 4.26Å; A772-V789 HydrophobicContact CB-CG2 4.38Å; V778-V789 HydrophobicContact CG1-CG2 4.24Å; V778-V789 HydrophobicContact CG2-CG2 4.26Å; L786-V789 HydrophobicContact CB-CG2 3.69Å; V787-V789 VanDerWaalsContact C-N 3.26Å; V787-V789 PolarHBondContact O-N 3.43Å; V789-Q791 VanDerWaalsContact C-N 3.3Å; V789-Q791 PolarHBondContact O-N 3.05Å; V789-A792 WeakPolarHBondContact O-CB 3.3Å; V789-A792 PolarHBondContact O-N 3.11Å; V789-A793 PolarHBondContact O-N 3.46Å; V789-I855 HydrophobicContact CB-CG2 4.21Å; V789-I855 HydrophobicContact CG1-CD1 4.05Å; V789-I855 HydrophobicContact CG2-CG1 4.24Å; V789-I855 HydrophobicContact CG2-CG2 4.1Å
790	E	93.1	Very high	91.2	Very high	81 Å²	81	61.9 Å²	61.9	38%	0.379	30%	0.303	S	S	.	.	H	α-helix	trans	-66	-30.2	175.2	-170.6	62.1	-152.9	0	0	112.9	M761 N788 R794	M761-E790 WeakPolarHBondContact CE-OE2 3.42Å; N788-E790 PolarHBondContact O-N 3.13Å; E790-R794 WeakPolarHBondContact O-CG 3.45Å; E790-R794 PolarHBondContact O-N 3.36Å; E790-R794 VanDerWaalsContact O-N 3.13Å; E790-R794 PolarHBondContact O-NE 3.09Å
791	Q	94.4	Very high	91.6	Very high	91 Å²	91	58.7 Å²	58.7	43%	0.425	29%	0.289	S	S	.	.	H	α-helix	trans	-71.4	-39.5	174	-62.1	179.4	34.9	0	0	110.3	E777 N788 V789 R794 R795	E777-Q791 HydrophobicContact CG-CB 4.35Å; N788-Q791 HydrophobicContact CB-CB 4.38Å; N788-Q791 HydrophobicContact CB-CG 4.44Å; N788-Q791 WeakPolarHBondContact O-CA 3.48Å; N788-Q791 WeakPolarHBondContact O-CB 3.18Å; N788-Q791 PolarHBondContact O-N 3.35Å; N788-Q791 PolarHBondContact OD1-NE2 3.2Å; V789-Q791 VanDerWaalsContact C-N 3.3Å; V789-Q791 PolarHBondContact O-N 3.05Å; Q791-R794 PolarHBondContact O-N 2.86Å; Q791-R795 PolarHBondContact O-N 3.36Å
792	A	95.9	Very high	91.9	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.2	-40.5	173.2	0	0	0	0	0	113.2	L743 E777 V778 N788 V789 R794 R795 A796 T810	L743-A792 HydrophobicContact CD2-CB 4.41Å; E777-A792 HydrophobicContact CG-CB 4.08Å; E777-A792 WeakPolarHBondContact OE1-CA 2.8Å; E777-A792 VanDerWaalsContact OE1-CB 3.28Å; E777-A792 WeakPolarHBondContact OE1-CB 3.42Å; V778-A792 HydrophobicContact CG2-CB 3.78Å; N788-A792 PolarHBondContact O-N 3.37Å; N788-A792 VanDerWaalsContact O-N 3.13Å; V789-A792 WeakPolarHBondContact O-CB 3.3Å; V789-A792 PolarHBondContact O-N 3.11Å; A792-R794 VanDerWaalsContact C-N 3.33Å; A792-R794 PolarHBondContact O-N 3.43Å; A792-R795 PolarHBondContact O-N 3.21Å; A792-A796 WeakPolarHBondContact O-CB 3.32Å; A792-A796 PolarHBondContact O-N 3.36Å; A792-T810 HydrophobicContact CB-CG2 4.44Å; A792-T810 WeakPolarHBondContact O-CG2 3.39Å
793	A	94.2	Very high	92.6	Very high	2 Å²	2	54.8 Å²	54.8	2%	0.017	28%	0.278	C	S	.	.	H	α-helix	trans	-62.4	-38.3	173.5	0	0	0	0	0	112.6	L743 M761 V789 A796 A797	L743-A793 HydrophobicContact CD2-CB 4.46Å; M761-A793 HydrophobicContact CE-CB 3.73Å; M761-A793 HydrophobicContact SD-CB 4.46Å; V789-A793 PolarHBondContact O-N 3.46Å; A793-A796 WeakPolarHBondContact O-CB 3.4Å; A793-A796 PolarHBondContact O-N 2.78Å; A793-A797 PolarHBondContact O-N 2.8Å
794	R	95.2	Very high	93.3	Very high	161 Å²	161	52.1 Å²	52.1	61%	0.608	27%	0.267	S	S	*	.	H	α-helix	trans	-67.1	-41.8	174.8	-77.4	-175.1	-79.6	167.9	-6.7	112.6	E790 Q791 A792 A797	E790-R794 WeakPolarHBondContact O-CG 3.45Å; E790-R794 PolarHBondContact O-N 3.36Å; E790-R794 VanDerWaalsContact O-N 3.13Å; E790-R794 PolarHBondContact O-NE 3.09Å; Q791-R794 PolarHBondContact O-N 2.86Å; A792-R794 VanDerWaalsContact C-N 3.33Å; A792-R794 PolarHBondContact O-N 3.43Å; R794-A797 WeakPolarHBondContact O-CB 3.4Å; R794-A797 PolarHBondContact O-N 3.22Å
795	R	94	Very high	93.8	Very high	81 Å²	81	57 Å²	57	31%	0.306	29%	0.292	S	S	.	.	H	α-helix	trans	-64.4	-43.1	174.4	-178.2	-176.8	175.1	177.4	1.5	111.5	E777 Q791 A792 A797 I798 S799	E777-R795 WeakPolarHBondContact OE1-CD 3.35Å; E777-R795 IonicContact OE2-CZ 3.11Å; E777-R795 IonicContact OE2-NH1 2.62Å; E777-R795 PolarHBondContact OE2-NH1 2.85Å; Q791-R795 PolarHBondContact O-N 3.36Å; A792-R795 PolarHBondContact O-N 3.21Å; R795-A797 PolarHBondContact O-N 2.76Å; R795-I798 PolarHBondContact O-N 3.2Å; R795-I798 VanDerWaalsContact O-N 3.12Å; R795-S799 WeakPolarHBondContact O-CB 3.3Å; R795-S799 PolarHBondContact O-N 2.92Å
796	A	93.9	Very high	94.1	Very high	2 Å²	2	63.1 Å²	63.1	2%	0.017	32%	0.321	C	S	.	.	H	α-helix	trans	-53.8	-36	177.5	0	0	0	0	0	112.1	L743 A792 A793 I798 G808 T810	L743-A796 HydrophobicContact CD2-CB 3.73Å; A792-A796 WeakPolarHBondContact O-CB 3.32Å; A792-A796 PolarHBondContact O-N 3.36Å; A793-A796 WeakPolarHBondContact O-CB 3.4Å; A793-A796 PolarHBondContact O-N 2.78Å; A796-I798 PolarHBondContact O-N 2.81Å; A796-G808 VanDerWaalsContact O-CA 3.3Å; A796-G808 WeakPolarHBondContact O-CA 3.48Å; A796-G808 PolarHBondContact O-N 3.1Å; A796-T810 HydrophobicContact CB-CG2 3.77Å
797	A	92	Very high	94.1	Very high	73 Å²	73	65.2 Å²	65.2	60%	0.603	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-27	-179.9	0	0	0	0	0	114.4	A793 R794 R795	A793-A797 PolarHBondContact O-N 2.8Å; R794-A797 WeakPolarHBondContact O-CB 3.4Å; R794-A797 PolarHBondContact O-N 3.22Å; R795-A797 PolarHBondContact O-N 2.76Å
798	I	92.6	Very high	94.1	Very high	144 Å²	144	64.2 Å²	64.2	74%	0.738	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.2	-19.9	-176.2	61.6	171.4	0	0	0	114	R795 A796	R795-I798 PolarHBondContact O-N 3.2Å; R795-I798 VanDerWaalsContact O-N 3.12Å; A796-I798 PolarHBondContact O-N 2.81Å
799	S	94.7	Very high	94.1	Very high	20 Å²	20	62 Å²	62	14%	0.14	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-82.7	121.5	-175.4	-171.3	0	0	0	0	111.6	R795 A807 G808 A809	R795-S799 WeakPolarHBondContact O-CB 3.3Å; R795-S799 PolarHBondContact O-N 2.92Å; S799-A807 CarbonylContact O-C 3.52Å; S799-A807 WeakPolarHBondContact O-CA 3.45Å; S799-G808 PolarHBondContact O-N 2.87Å; S799-A809 WeakPolarHBondContact CB-O 3.45Å; S799-A809 PolarHBondContact O-N 3.45Å; S799-A809 PolarHBondContact OG-O 3.14Å
800	R	95.6	Very high	94.1	Very high	155 Å²	155	61.9 Å²	61.9	59%	0.585	32%	0.32	S	S	*	.	B	Isolated β-bridge	trans	-93.8	137.3	-176.8	-65.4	-176.2	176.5	-82.1	-0.9	112.2	N805 A809	R800-N805 WeakPolarHBondContact CD-OD1 3.36Å; R800-N805 PolarHBondContact NH1-O 3.21Å; R800-A809 VanDerWaalsContact C-CB 3.44Å
801	C	96.5	Very high	94.1	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.014	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-71.3	130.3	178.8	179.4	0	0	0	0	111.4	L803 C804 N805 H806 A809 H823 C826	C801-L803 PolarHBondContact O-N 3.03Å; C801-C804 VanDerWaalsContact CB-SG 3.53Å; C801-C804 VanDerWaalsContact SG-SG 3.65Å; C801-N805 WeakPolarHBondContact O-CA 3.44Å; C801-N805 PolarHBondContact O-N 3.3Å; C801-H806 PolarHBondContact N-O 2.69Å; C801-A809 VanDerWaalsContact CA-CB 3.42Å; C801-A809 HydrophobicContact CB-CB 3.91Å; C801-H823 WeakPolarHBondContact CB-ND1 3.24Å; C801-C826 VanDerWaalsContact SG-CB 3.57Å
802	A	94	Very high	93.9	Very high	62 Å²	62	55 Å²	55	51%	0.512	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-20.4	179	0	0	0	0	0	113.8	T821 F822	A802-T821 PolarHBondContact N-O 2.74Å; A802-F822 HydrophobicContact CB-CD1 4.12Å; A802-F822 HydrophobicContact CB-CE1 3.65Å; A802-F822 HydrophobicContact CB-CZ 3.92Å
803	L	93.3	Very high	93.5	Very high	95 Å²	95	55.7 Å²	55.7	50%	0.497	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-52.6	177.8	-172.8	69.2	0	0	0	112.7	C801 F822 C826 D829	C801-L803 PolarHBondContact O-N 3.03Å; L803-F822 HydrophobicContact CB-CD1 3.97Å; L803-F822 HydrophobicContact CB-CE1 4.07Å; L803-C826 HydrophobicContact CB-CB 3.96Å; L803-C826 HydrophobicContact CD2-CB 3.73Å; L803-C826 HydrophobicContact CG-CB 4.48Å; L803-D829 HydrophobicContact CD2-CB 4.22Å
804	C	95.4	Very high	92.9	Very high	48 Å²	48	58.6 Å²	58.6	32%	0.324	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-4.1	-172.2	72.2	0	0	0	0	114.2	C801 H806 H823	C801-C804 VanDerWaalsContact CB-SG 3.53Å; C801-C804 VanDerWaalsContact SG-SG 3.65Å; C804-H806 PolarHBondContact O-N 3.44Å; C804-H806 PolarHBondContact O-ND1 3.37Å; C804-H823 PolarHBondContact SG-CE1 2.96Å; C804-H823 PolarHBondContact SG-ND1 3.41Å; C804-H823 VanDerWaalsContact SG-ND1 3.4Å
805	N	93.1	Very high	92.3	Very high	105 Å²	105	57.7 Å²	57.7	56%	0.561	31%	0.307	S	S	*	.			trans	59.3	7.8	-179.1	-159.8	28.2	0	0	0	116.7	R800 C801	R800-N805 WeakPolarHBondContact CD-OD1 3.36Å; R800-N805 PolarHBondContact NH1-O 3.21Å; C801-N805 WeakPolarHBondContact O-CA 3.44Å; C801-N805 PolarHBondContact O-N 3.3Å
806	H	94	Very high	91.5	Very high	129 Å²	129	61.3 Å²	61.3	60%	0.597	33%	0.331	S	S	*	.			trans	-81.6	150.3	173.7	-67.7	78.6	0	0	0	110.9	C801 C804	C801-H806 PolarHBondContact N-O 2.69Å; C804-H806 PolarHBondContact O-N 3.44Å; C804-H806 PolarHBondContact O-ND1 3.37Å
807	A	94.1	Very high	90.9	Very high	44 Å²	44	72.8 Å²	72.8	36%	0.364	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-61.7	154.8	172.1	0	0	0	0	0	110.8	S799 H823	S799-A807 CarbonylContact O-C 3.52Å; S799-A807 WeakPolarHBondContact O-CA 3.45Å; A807-H823 PolarHBondContact O-NE2 3.26Å
808	G	92.6	Very high	90.6	Very high	3 Å²	3	71 Å²	71	3%	0.031	36%	0.357	C	S	.	.			trans	119	1.4	179.6	0	0	0	0	0	115.1	L743 A796 S799 T810 H823	L743-G808 CarbonylContact O-C 3.59Å; L743-G808 WeakPolarHBondContact O-CA 3.03Å; A796-G808 VanDerWaalsContact O-CA 3.3Å; A796-G808 WeakPolarHBondContact O-CA 3.48Å; A796-G808 PolarHBondContact O-N 3.1Å; S799-G808 PolarHBondContact O-N 2.87Å; G808-T810 PolarHBondContact O-N 3.12Å; G808-T810 VanDerWaalsContact O-N 3.11Å; G808-H823 VanDerWaalsContact C-CD2 3.44Å; G808-H823 WeakPolarHBondContact CA-NE2 3.37Å; G808-H823 PolarHBondContact O-CD2 3.01Å
809	A	93.5	Very high	90.4	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.363	C	S	.	.			trans	-79.4	99.7	-172.3	0	0	0	0	0	112.7	S799 R800 C801 F822	S799-A809 WeakPolarHBondContact CB-O 3.45Å; S799-A809 PolarHBondContact O-N 3.45Å; S799-A809 PolarHBondContact OG-O 3.14Å; R800-A809 VanDerWaalsContact C-CB 3.44Å; C801-A809 VanDerWaalsContact CA-CB 3.42Å; C801-A809 HydrophobicContact CB-CB 3.91Å; A809-F822 WeakPolarHBondContact CA-O 3.45Å
810	T	93.8	Very high	90.3	Very high	2 Å²	2	73 Å²	73	1%	0.012	37%	0.371	C	S	.	.			trans	-112.4	-7.3	-177.3	49.7	0	0	0	0	113.9	L743 S775 A776 A792 A796 G808 F822	L743-T810 HydrophobicContact CD2-CG2 4.24Å; S775-T810 WeakPolarHBondContact CA-O 3.46Å; S775-T810 VanDerWaalsContact OG-CB 3.25Å; S775-T810 WeakPolarHBondContact OG-CB 3.35Å; S775-T810 PolarHBondContact OG-OG1 3.27Å; A776-T810 PolarHBondContact N-O 3.01Å; A776-T810 VanDerWaalsContact N-O 3.08Å; A792-T810 HydrophobicContact CB-CG2 4.44Å; A792-T810 WeakPolarHBondContact O-CG2 3.39Å; A796-T810 HydrophobicContact CB-CG2 3.77Å; G808-T810 PolarHBondContact O-N 3.12Å; G808-T810 VanDerWaalsContact O-N 3.11Å; T810-F822 PolarHBondContact N-O 2.73Å
811	I	92.6	Very high	90.2	Very high	1 Å²	1	66.8 Å²	66.8	1%	0.005	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	113	-172.6	-66.9	151.9	0	0	0	109.5	W774 T821 F822 L824 A827 F834	W774-I811 HydrophobicContact CB-CD1 4.35Å; W774-I811 HydrophobicContact CB-CG1 4.08Å; W774-I811 WeakPolarHBondContact O-CG1 3.4Å; I811-T821 CarbonylContact O-C 3.58Å; I811-T821 WeakPolarHBondContact O-CA 3.22Å; I811-F822 WeakPolarHBondContact CB-O 3.46Å; I811-F822 PolarHBondContact N-O 2.92Å; I811-F822 VanDerWaalsContact N-O 3.14Å; I811-F822 PolarHBondContact O-N 3.47Å; I811-L824 HydrophobicContact CD1-CB 3.35Å; I811-L824 HydrophobicContact CD1-CD1 3.56Å; I811-L824 HydrophobicContact CD1-CG 4.01Å; I811-L824 VanDerWaalsContact CD1-N 3.32Å; I811-A827 HydrophobicContact CG2-CB 4.23Å; I811-F834 HydrophobicContact CG2-CE1 3.77Å; I811-F834 HydrophobicContact CG2-CZ 4.44Å
812	P	90.4	Very high	90.2	Very high	26 Å²	26	67.6 Å²	67.6	17%	0.169	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	154.9	178.2	33.7	-33.7	0	0	0	111.1	A776 Y814 T821	A776-P812 HydrophobicContact CB-CG 3.93Å; P812-Y814 HydrophobicContact CG-CE1 4.37Å; P812-Y814 HydrophobicContact CG-CE2 3.9Å; P812-T821 HydrophobicContact CB-CG2 4.44Å
813	C	87.7	Confident	90.2	Very high	15 Å²	15	65.3 Å²	65.3	10%	0.101	33%	0.333	C	S	.	.			trans	-81.3	125.3	165.2	-174.1	0	0	0	0	111	K815 C818 S820 F822 C832	C813-K815 VanDerWaalsContact C-N 3.26Å; C813-K815 PolarHBondContact O-N 2.94Å; C813-K815 VanDerWaalsContact SG-CB 3.55Å; C813-C818 HydrophobicContact CB-CB 4Å; C813-C818 WeakPolarHBondContact CB-SG 3.4Å; C813-C818 VanDerWaalsContact SG-SG 3.66Å; C813-S820 PolarHBondContact N-O 3.42Å; C813-F822 HydrophobicContact CB-CE2 4.24Å; C813-C832 WeakPolarHBondContact CA-SG 3.2Å; C813-C832 VanDerWaalsContact CB-SG 3.54Å; C813-C832 VanDerWaalsContact SG-SG 3.68Å
814	Y	82.7	Confident	90.1	Very high	63 Å²	63	60.8 Å²	60.8	25%	0.247	31%	0.309	C	S	.	.			trans	-87.8	8.7	178.8	-67.1	-84.8	0	0	0	113.4	P812 T833 L835	P812-Y814 HydrophobicContact CG-CE1 4.37Å; P812-Y814 HydrophobicContact CG-CE2 3.9Å; Y814-T833 WeakPolarHBondContact CB-O 3.35Å; Y814-T833 WeakPolarHBondContact CD2-O 3.43Å; Y814-T833 PolarHBondContact N-O 3.4Å; Y814-L835 HydrophobicContact CD1-CD1 3.94Å; Y814-L835 HydrophobicContact CG-CD1 4Å; Y814-L835 HydrophobicContact CG-CG 4.13Å
815	K	81.3	Confident	89.9	Confident	142 Å²	142	63.9 Å²	63.9	62%	0.617	32%	0.317	S	S	*	.	S	Bend	trans	-68.8	132.3	170.8	-170	176.6	-179	-179.2	0	108.9	C813 R817 C818	C813-K815 VanDerWaalsContact C-N 3.26Å; C813-K815 PolarHBondContact O-N 2.94Å; C813-K815 VanDerWaalsContact SG-CB 3.55Å; K815-R817 PolarHBondContact O-N 3.19Å; K815-C818 HydrophobicContact CB-CB 4.12Å; K815-C818 VanDerWaalsContact O-CB 3.28Å; K815-C818 WeakPolarHBondContact O-CB 3.47Å; K815-C818 PolarHBondContact O-N 3.09Å
816	L	76.8	Confident	89.9	Confident	157 Å²	157	59.6 Å²	59.6	82%	0.822	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	132.8	178.6	-160.9	83.8	0	0	0	110.7	C818	L816-C818 VanDerWaalsContact C-N 3.25Å; L816-C818 PolarHBondContact O-N 3.37Å
817	R	82.5	Confident	89.7	Confident	242 Å²	242	53.5 Å²	53.5	91%	0.913	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	12.6	-177	-49.1	-176.3	180	-164.4	-1.3	115.9	K815	K815-R817 PolarHBondContact O-N 3.19Å
818	C	86.4	Confident	89.4	Confident	37 Å²	37	54 Å²	54	25%	0.25	27%	0.265	C	S	.	.			trans	-99.9	113.1	171.3	-169.1	0	0	0	0	110.3	C813 K815 L816	C813-C818 HydrophobicContact CB-CB 4Å; C813-C818 WeakPolarHBondContact CB-SG 3.4Å; C813-C818 VanDerWaalsContact SG-SG 3.66Å; K815-C818 HydrophobicContact CB-CB 4.12Å; K815-C818 VanDerWaalsContact O-CB 3.28Å; K815-C818 WeakPolarHBondContact O-CB 3.47Å; K815-C818 PolarHBondContact O-N 3.09Å; L816-C818 VanDerWaalsContact C-N 3.25Å; L816-C818 PolarHBondContact O-N 3.37Å
819	N	88	Confident	89.1	Confident	159 Å²	159	58.6 Å²	58.6	85%	0.85	29%	0.289	S	S	*	.			trans	-99.6	12.8	175.7	-69.2	0.2	0	0	0	112.5
820	S	92.9	Very high	88.8	Confident	46 Å²	46	60.8 Å²	60.8	32%	0.322	31%	0.305	S	S	.	.			trans	-72.4	139	-179.1	-56.5	0	0	0	0	111	C813 F822	C813-S820 PolarHBondContact N-O 3.42Å; S820-F822 VanDerWaalsContact CB-CE2 3.41Å
821	T	92.9	Very high	88.2	Confident	25 Å²	25	71.5 Å²	71.5	15%	0.153	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.9	175.1	56.9	0	0	0	0	109.9	A802 I811 P812	A802-T821 PolarHBondContact N-O 2.74Å; I811-T821 CarbonylContact O-C 3.58Å; I811-T821 WeakPolarHBondContact O-CA 3.22Å; P812-T821 HydrophobicContact CB-CG2 4.44Å
822	F	95.3	Very high	87.7	Confident	18 Å²	18	72.1 Å²	72.1	8%	0.079	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	164.4	-170.8	-59.3	-89	0	0	0	111.2	A802 L803 A809 T810 I811 C813 S820 C826 A827	A802-F822 HydrophobicContact CB-CD1 4.12Å; A802-F822 HydrophobicContact CB-CE1 3.65Å; A802-F822 HydrophobicContact CB-CZ 3.92Å; L803-F822 HydrophobicContact CB-CD1 3.97Å; L803-F822 HydrophobicContact CB-CE1 4.07Å; A809-F822 WeakPolarHBondContact CA-O 3.45Å; T810-F822 PolarHBondContact N-O 2.73Å; I811-F822 WeakPolarHBondContact CB-O 3.46Å; I811-F822 PolarHBondContact N-O 2.92Å; I811-F822 VanDerWaalsContact N-O 3.14Å; I811-F822 PolarHBondContact O-N 3.47Å; C813-F822 HydrophobicContact CB-CE2 4.24Å; S820-F822 VanDerWaalsContact CB-CE2 3.41Å; F822-C826 HydrophobicContact CB-CB 4.17Å; F822-C826 HydrophobicContact CD1-CB 4.27Å; F822-A827 HydrophobicContact CB-CB 3.83Å; F822-A827 HydrophobicContact CG-CB 4.33Å
823	H	95.1	Very high	87.2	Confident	15 Å²	15	72.7 Å²	72.7	7%	0.069	35%	0.352	C	S	.	.			trans	-69.5	160.4	152.4	-54.6	109.5	0	0	0	109.8	L743 C744 C801 C804 A807 G808 K825 C826 A827	L743-H823 PolarHBondContact O-CD2 2.79Å; C744-H823 HydrophobicContact CB-CB 4.44Å; C801-H823 WeakPolarHBondContact CB-ND1 3.24Å; C804-H823 PolarHBondContact SG-CE1 2.96Å; C804-H823 PolarHBondContact SG-ND1 3.41Å; C804-H823 VanDerWaalsContact SG-ND1 3.4Å; A807-H823 PolarHBondContact O-NE2 3.26Å; G808-H823 VanDerWaalsContact C-CD2 3.44Å; G808-H823 WeakPolarHBondContact CA-NE2 3.37Å; G808-H823 PolarHBondContact O-CD2 3.01Å; H823-K825 PolarHBondContact O-N 3.17Å; H823-C826 HydrophobicContact CB-CB 4.23Å; H823-C826 PolarHBondContact O-N 3.48Å; H823-A827 WeakPolarHBondContact O-CB 3.38Å; H823-A827 PolarHBondContact O-N 3.41Å
824	L	91.1	Very high	86.6	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-61.2	-46	-177.6	-169	67.9	0	0	0	112.7	V754 N770 W774 I811 C826 A827 V828 F834 L847	V754-L824 WeakPolarHBondContact O-CD2 3.45Å; N770-L824 HydrophobicContact CB-CD2 3.35Å; W774-L824 HydrophobicContact CB-CD1 4.1Å; W774-L824 HydrophobicContact CG-CD1 4.24Å; I811-L824 HydrophobicContact CD1-CB 3.35Å; I811-L824 HydrophobicContact CD1-CD1 3.56Å; I811-L824 HydrophobicContact CD1-CG 4.01Å; I811-L824 VanDerWaalsContact CD1-N 3.32Å; L824-C826 PolarHBondContact O-N 3.28Å; L824-A827 WeakPolarHBondContact O-CB 3.41Å; L824-A827 PolarHBondContact O-N 3.44Å; L824-V828 WeakPolarHBondContact O-CG2 3.4Å; L824-V828 PolarHBondContact O-N 2.9Å; L824-F834 HydrophobicContact CD1-CE1 3.57Å; L824-F834 HydrophobicContact CD1-CZ 3.74Å; L824-L847 HydrophobicContact CD1-CD1 4.08Å; L824-L847 HydrophobicContact CG-CD1 4.37Å
825	K	90.3	Very high	85.9	Confident	113 Å²	113	70.6 Å²	70.6	49%	0.491	34%	0.343	S	S	.	.	H	α-helix	trans	-60	-46.9	177.1	-170.5	-174.3	175.3	-145.6	0	111.1	V754 H823 A827 V828 D829	V754-K825 HydrophobicContact CG1-CB 4.22Å; V754-K825 HydrophobicContact CG1-CG 4.41Å; H823-K825 PolarHBondContact O-N 3.17Å; K825-A827 VanDerWaalsContact C-N 3.31Å; K825-A827 PolarHBondContact O-N 2.9Å; K825-V828 PolarHBondContact O-N 2.77Å; K825-V828 VanDerWaalsContact O-N 3.16Å; K825-D829 VanDerWaalsContact O-CG 3.25Å; K825-D829 PolarHBondContact O-N 3.31Å
826	C	93.8	Very high	84.8	Confident	15 Å²	15	66.7 Å²	66.7	10%	0.101	33%	0.329	C	S	.	.	H	α-helix	trans	-61.9	-36.1	176.1	-62.3	0	0	0	0	113.2	C801 L803 F822 H823 L824 D829 S830	C801-C826 VanDerWaalsContact SG-CB 3.57Å; L803-C826 HydrophobicContact CB-CB 3.96Å; L803-C826 HydrophobicContact CD2-CB 3.73Å; L803-C826 HydrophobicContact CG-CB 4.48Å; F822-C826 HydrophobicContact CB-CB 4.17Å; F822-C826 HydrophobicContact CD1-CB 4.27Å; H823-C826 HydrophobicContact CB-CB 4.23Å; H823-C826 PolarHBondContact O-N 3.48Å; L824-C826 PolarHBondContact O-N 3.28Å; C826-D829 PolarHBondContact O-N 3.02Å; C826-S830 VanDerWaalsContact O-CB 3.25Å; C826-S830 WeakPolarHBondContact O-CB 3.25Å; C826-S830 PolarHBondContact O-N 3.37Å; C826-S830 PolarHBondContact O-OG 2.87Å
827	A	90.3	Very high	83.9	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.7	-44.9	174.9	0	0	0	0	0	110.6	I811 F822 H823 L824 K825 S830 R831 C832 F834	I811-A827 HydrophobicContact CG2-CB 4.23Å; F822-A827 HydrophobicContact CB-CB 3.83Å; F822-A827 HydrophobicContact CG-CB 4.33Å; H823-A827 WeakPolarHBondContact O-CB 3.38Å; H823-A827 PolarHBondContact O-N 3.41Å; L824-A827 WeakPolarHBondContact O-CB 3.41Å; L824-A827 PolarHBondContact O-N 3.44Å; K825-A827 VanDerWaalsContact C-N 3.31Å; K825-A827 PolarHBondContact O-N 2.9Å; A827-S830 CarbonylContact O-C 3.5Å; A827-S830 PolarHBondContact O-N 2.9Å; A827-R831 PolarHBondContact O-N 3.38Å; A827-C832 HydrophobicContact CB-CB 3.7Å; A827-C832 WeakPolarHBondContact O-CB 3.47Å; A827-C832 PolarHBondContact O-N 3.49Å; A827-F834 HydrophobicContact CB-CE1 4.42Å; A827-F834 HydrophobicContact CB-CE2 4.37Å; A827-F834 HydrophobicContact CB-CZ 3.63Å
828	V	87.3	Confident	82.8	Confident	55 Å²	55	55.9 Å²	55.9	33%	0.333	29%	0.287	S	S	.	.	H	α-helix	trans	-62.4	-47.8	175.2	174	0	0	0	0	110.9	V754 L824 K825 S830 R831 F834 L847	V754-V828 HydrophobicContact CG1-CG2 4.38Å; L824-V828 WeakPolarHBondContact O-CG2 3.4Å; L824-V828 PolarHBondContact O-N 2.9Å; K825-V828 PolarHBondContact O-N 2.77Å; K825-V828 VanDerWaalsContact O-N 3.16Å; V828-S830 VanDerWaalsContact C-N 3.27Å; V828-S830 PolarHBondContact O-N 3.41Å; V828-R831 PolarHBondContact O-N 3.07Å; V828-F834 HydrophobicContact CG2-CE2 4.16Å; V828-F834 HydrophobicContact CG2-CZ 4.29Å; V828-L847 HydrophobicContact CG2-CD1 3.54Å
829	D	86.7	Confident	81.3	Confident	99 Å²	99	60.5 Å²	60.5	53%	0.529	31%	0.313	S	S	.	.	H	α-helix	trans	-61.7	-35.6	179.1	-65.1	-22.4	0	0	0	111.8	L803 K825 C826 R831	L803-D829 HydrophobicContact CD2-CB 4.22Å; K825-D829 VanDerWaalsContact O-CG 3.25Å; K825-D829 PolarHBondContact O-N 3.31Å; C826-D829 PolarHBondContact O-N 3.02Å; D829-R831 VanDerWaalsContact C-N 3.26Å; D829-R831 PolarHBondContact O-N 3.48Å
830	S	86	Confident	79.8	Confident	47 Å²	47	54.3 Å²	54.3	33%	0.329	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	4.2	176.2	-51.1	0	0	0	0	113.8	C826 A827 V828 C832	C826-S830 VanDerWaalsContact O-CB 3.25Å; C826-S830 WeakPolarHBondContact O-CB 3.25Å; C826-S830 PolarHBondContact O-N 3.37Å; C826-S830 PolarHBondContact O-OG 2.87Å; A827-S830 CarbonylContact O-C 3.5Å; A827-S830 PolarHBondContact O-N 2.9Å; V828-S830 VanDerWaalsContact C-N 3.27Å; V828-S830 PolarHBondContact O-N 3.41Å; S830-C832 VanDerWaalsContact C-N 3.25Å; S830-C832 PolarHBondContact O-N 2.87Å
831	R	82	Confident	78.1	Confident	227 Å²	227	59.5 Å²	59.5	86%	0.857	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	40.5	-176.2	-54.4	-174.6	-179.3	-153.5	1.1	113.5	A827 V828 D829	A827-R831 PolarHBondContact O-N 3.38Å; V828-R831 PolarHBondContact O-N 3.07Å; D829-R831 VanDerWaalsContact C-N 3.26Å; D829-R831 PolarHBondContact O-N 3.48Å
832	C	81.4	Confident	76.6	Confident	14 Å²	14	61.9 Å²	61.9	10%	0.095	32%	0.319	C	S	.	.			trans	-58.1	143.3	174.4	-176.4	0	0	0	0	111.5	C813 A827 S830 F834	C813-C832 WeakPolarHBondContact CA-SG 3.2Å; C813-C832 VanDerWaalsContact CB-SG 3.54Å; C813-C832 VanDerWaalsContact SG-SG 3.68Å; A827-C832 HydrophobicContact CB-CB 3.7Å; A827-C832 WeakPolarHBondContact O-CB 3.47Å; A827-C832 PolarHBondContact O-N 3.49Å; S830-C832 VanDerWaalsContact C-N 3.25Å; S830-C832 PolarHBondContact O-N 2.87Å; C832-F834 HydrophobicContact CB-CE2 4.29Å; C832-F834 WeakPolarHBondContact O-CD2 3.34Å
833	T	80.1	Confident	75.2	Confident	37 Å²	37	65.5 Å²	65.5	23%	0.227	34%	0.342	C	S	.	.			trans	-81.5	122.7	176.3	-55.4	0	0	0	0	110.5	Y814 L835 V843	Y814-T833 WeakPolarHBondContact CB-O 3.35Å; Y814-T833 WeakPolarHBondContact CD2-O 3.43Å; Y814-T833 PolarHBondContact N-O 3.4Å; T833-L835 HydrophobicContact CG2-CD2 4.3Å; T833-V843 HydrophobicContact CG2-CG1 4.31Å; T833-V843 HydrophobicContact CG2-CG2 3.95Å
834	F	75.2	Confident	73.8	Confident	11 Å²	11	66.4 Å²	66.4	5%	0.048	35%	0.347	C	S	.	.			trans	-105.5	137.6	170	-61.4	-88.3	0	0	0	110.2	W774 I811 L824 A827 V828 C832 V843 L844 L847	W774-F834 HydrophobicContact CD2-CD1 4.25Å; W774-F834 HydrophobicContact CE3-CD1 4.24Å; W774-F834 HydrophobicContact CG-CD1 4.47Å; I811-F834 HydrophobicContact CG2-CE1 3.77Å; I811-F834 HydrophobicContact CG2-CZ 4.44Å; L824-F834 HydrophobicContact CD1-CE1 3.57Å; L824-F834 HydrophobicContact CD1-CZ 3.74Å; A827-F834 HydrophobicContact CB-CE1 4.42Å; A827-F834 HydrophobicContact CB-CE2 4.37Å; A827-F834 HydrophobicContact CB-CZ 3.63Å; V828-F834 HydrophobicContact CG2-CE2 4.16Å; V828-F834 HydrophobicContact CG2-CZ 4.29Å; C832-F834 HydrophobicContact CB-CE2 4.29Å; C832-F834 WeakPolarHBondContact O-CD2 3.34Å; F834-V843 WeakPolarHBondContact O-CA 3.35Å; F834-L844 HydrophobicContact CB-CB 4.27Å; F834-L844 PolarHBondContact O-N 3.02Å; F834-L847 HydrophobicContact CB-CD2 4.4Å; F834-L847 HydrophobicContact CD1-CD2 3.95Å; F834-L847 HydrophobicContact CD2-CD2 4.24Å; F834-L847 HydrophobicContact CE1-CD2 4.23Å; F834-L847 HydrophobicContact CE2-CD1 4.2Å; F834-L847 HydrophobicContact CG-CD2 3.94Å; F834-L847 HydrophobicContact CZ-CD1 4.17Å; F834-L847 HydrophobicContact CZ-CD2 4.49Å
835	L	68.5	Low	72.4	Confident	23 Å²	23	71.1 Å²	71.1	12%	0.12	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-101.4	139.2	177	-60.1	177.1	0	0	0	110.5	W774 Y814 T833 D837 S840 N842	W774-L835 VanDerWaalsContact CH2-O 3.29Å; W774-L835 WeakPolarHBondContact CH2-O 3.33Å; W774-L835 WeakPolarHBondContact CZ3-O 3.28Å; Y814-L835 HydrophobicContact CD1-CD1 3.94Å; Y814-L835 HydrophobicContact CG-CD1 4Å; Y814-L835 HydrophobicContact CG-CG 4.13Å; T833-L835 HydrophobicContact CG2-CD2 4.3Å; L835-D837 WeakPolarHBondContact CB-O 3.47Å; L835-D837 PolarHBondContact O-N 3.28Å; L835-S840 WeakPolarHBondContact CD1-O 3.47Å; L835-S840 WeakPolarHBondContact CD2-O 3.25Å; L835-N842 CarbonylContact C-O 3.56Å; L835-N842 WeakPolarHBondContact CA-O 3.38Å
836	L	58.5	Low	71.4	Confident	60 Å²	60	67 Å²	67	31%	0.314	36%	0.359	S	S	.	.	S	Bend	trans	-56.2	-34.5	-178.3	-173.1	74.1	0	0	0	112.7	N842 L844	L836-N842 HydrophobicContact CB-CB 3.89Å; L836-N842 WeakPolarHBondContact CB-O 3.46Å; L836-N842 HydrophobicContact CD2-CB 4.15Å; L836-N842 PolarHBondContact N-O 3.3Å; L836-L844 HydrophobicContact CD1-CD1 3.43Å; L836-L844 VanDerWaalsContact CD1-CD1 3.43Å
837	D	58.7	Low	70.7	Confident	102 Å²	102	66.9 Å²	66.9	55%	0.545	36%	0.358	S	S	.	.	S	Bend	trans	-142.4	140.6	170.7	-165.2	-13	0	0	0	105.5	L835 V839 S840	L835-D837 WeakPolarHBondContact CB-O 3.47Å; L835-D837 PolarHBondContact O-N 3.28Å; D837-V839 PolarHBondContact O-N 2.69Å; D837-S840 PolarHBondContact N-OG 3.36Å; D837-S840 PolarHBondContact O-N 3.31Å; D837-S840 PolarHBondContact O-OG 3.2Å; D837-S840 VanDerWaalsContact O-OG 3.12Å
838	K	58	Low	69.9	Low	71 Å²	71	67.7 Å²	67.7	31%	0.309	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-3.4	-171.5	-67.5	179	173.2	-176.7	0	114.1	S775 A776 V778	S775-K838 PolarHBondContact O-NZ 3.01Å; A776-K838 PolarHBondContact O-NZ 3.47Å; V778-K838 PolarHBondContact O-NZ 2.65Å
839	V	54.8	Low	69.2	Low	133 Å²	133	67 Å²	67	81%	0.806	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	-18	-179.9	-145.3	0	0	0	0	112.7	D837	D837-V839 PolarHBondContact O-N 2.69Å
840	S	57.6	Low	68.3	Low	30 Å²	30	69.3 Å²	69.3	21%	0.21	36%	0.363	C	S	.	.	S	Bend	trans	-97.7	149.3	-172.5	75.1	0	0	0	0	112.5	L835 D837 N842	L835-S840 WeakPolarHBondContact CD1-O 3.47Å; L835-S840 WeakPolarHBondContact CD2-O 3.25Å; D837-S840 PolarHBondContact N-OG 3.36Å; D837-S840 PolarHBondContact O-N 3.31Å; D837-S840 PolarHBondContact O-OG 3.2Å; D837-S840 VanDerWaalsContact O-OG 3.12Å; S840-N842 PolarHBondContact O-N 3.33Å
841	N	56.6	Low	67.5	Low	155 Å²	155	72.3 Å²	72.3	83%	0.829	37%	0.367	S	S	*	.			trans	-80.6	9.1	176.6	-69.2	-18.7	0	0	0	114.3	V843	N841-V843 PolarHBondContact O-N 2.97Å
842	N	61.5	Low	67	Low	75 Å²	75	68 Å²	68	40%	0.401	35%	0.354	S	S	.	.			trans	-85.2	115.3	-175.9	-71.2	-31	0	0	0	110.5	L835 L836 S840	L835-N842 CarbonylContact C-O 3.56Å; L835-N842 WeakPolarHBondContact CA-O 3.38Å; L836-N842 HydrophobicContact CB-CB 3.89Å; L836-N842 WeakPolarHBondContact CB-O 3.46Å; L836-N842 HydrophobicContact CD2-CB 4.15Å; L836-N842 PolarHBondContact N-O 3.3Å; S840-N842 PolarHBondContact O-N 3.33Å
843	V	66.5	Low	66.9	Low	93 Å²	93	67.4 Å²	67.4	56%	0.564	35%	0.35	S	S	*	.	B	Isolated β-bridge	trans	-71.6	130	177	-177.1	0	0	0	0	110.5	T833 F834 N841	T833-V843 HydrophobicContact CG2-CG1 4.31Å; T833-V843 HydrophobicContact CG2-CG2 3.95Å; F834-V843 WeakPolarHBondContact O-CA 3.35Å; N841-V843 PolarHBondContact O-N 2.97Å
844	L	64.5	Low	67.1	Low	34 Å²	34	69 Å²	69	18%	0.178	35%	0.354	C	S	.	.			trans	-87.2	132.2	175.5	-169.6	75.2	0	0	0	110.6	W774 F834 L836 N846 L847	W774-L844 HydrophobicContact CH2-CD2 3.6Å; W774-L844 HydrophobicContact CZ2-CD2 3.26Å; F834-L844 HydrophobicContact CB-CB 4.27Å; F834-L844 PolarHBondContact O-N 3.02Å; L836-L844 HydrophobicContact CD1-CD1 3.43Å; L836-L844 VanDerWaalsContact CD1-CD1 3.43Å; L844-N846 WeakPolarHBondContact CD2-O 3.41Å; L844-N846 WeakPolarHBondContact CG-O 3.37Å; L844-L847 HydrophobicContact CD2-CD2 3.93Å
845	T	61.9	Low	67.7	Low	99 Å²	99	69.3 Å²	69.3	61%	0.607	36%	0.356	S	S	*	.	S	Bend	trans	-103.5	-14.4	-178.9	53.3	0	0	0	0	114.5	Y681	Y681-T845 PolarHBondContact OH-OG1 2.85Å
846	N	70.7	Confident	68.6	Low	27 Å²	27	72.4 Å²	72.4	14%	0.144	37%	0.372	C	S	.	.			trans	-138.6	125.5	177.5	-176.8	-6.8	0	0	0	109.6	Y681 L844 A848	Y681-N846 HydrophobicContact CE2-CB 4.16Å; Y681-N846 WeakPolarHBondContact OH-CB 3.16Å; Y681-N846 PolarHBondContact OH-N 2.98Å; L844-N846 WeakPolarHBondContact CD2-O 3.41Å; L844-N846 WeakPolarHBondContact CG-O 3.37Å; N846-A848 VanDerWaalsContact C-N 3.35Å; N846-A848 WeakPolarHBondContact OD1-CB 3.28Å; N846-A848 PolarHBondContact OD1-N 3.15Å
847	L	77.3	Confident	69.7	Low	12 Å²	12	72.7 Å²	72.7	6%	0.063	37%	0.37	C	S	.	.			trans	-89.3	0	-177.9	-60.4	162	0	0	0	112.7	N770 W774 L824 V828 F834 L844 V849	N770-L847 PolarHBondContact ND2-O 3.22Å; N770-L847 PolarHBondContact OD1-O 3.13Å; W774-L847 HydrophobicContact CD2-CD2 4.26Å; W774-L847 HydrophobicContact CG-CD2 4.46Å; W774-L847 HydrophobicContact CZ2-CD2 4.02Å; L824-L847 HydrophobicContact CD1-CD1 4.08Å; L824-L847 HydrophobicContact CG-CD1 4.37Å; V828-L847 HydrophobicContact CG2-CD1 3.54Å; F834-L847 HydrophobicContact CB-CD2 4.4Å; F834-L847 HydrophobicContact CD1-CD2 3.95Å; F834-L847 HydrophobicContact CD2-CD2 4.24Å; F834-L847 HydrophobicContact CE1-CD2 4.23Å; F834-L847 HydrophobicContact CE2-CD1 4.2Å; F834-L847 HydrophobicContact CG-CD2 3.94Å; F834-L847 HydrophobicContact CZ-CD1 4.17Å; F834-L847 HydrophobicContact CZ-CD2 4.49Å; L844-L847 HydrophobicContact CD2-CD2 3.93Å; L847-V849 PolarHBondContact O-N 3.01Å
848	A	75.3	Confident	70.7	Confident	17 Å²	17	72.3 Å²	72.3	14%	0.14	37%	0.367	C	S	.	.			trans	-61.1	125.1	-178.8	0	0	0	0	0	112.4	S752 E753 N846 Y850	S752-A848 WeakPolarHBondContact O-CA 3.49Å; E753-A848 HydrophobicContact CG-CB 4.38Å; N846-A848 VanDerWaalsContact C-N 3.35Å; N846-A848 WeakPolarHBondContact OD1-CB 3.28Å; N846-A848 PolarHBondContact OD1-N 3.15Å; A848-Y850 HydrophobicContact CB-CD2 4.37Å; A848-Y850 HydrophobicContact CB-CE1 4.28Å; A848-Y850 HydrophobicContact CB-CE2 3.6Å
849	V	72.6	Confident	71.6	Confident	41 Å²	41	71.2 Å²	71.2	25%	0.248	36%	0.363	C	S	.	.			trans	-101.8	103.4	178.9	174.7	0	0	0	0	109.3	V769 N770 L773 L847 R851 V853	V769-V849 HydrophobicContact CG2-CB 4.48Å; V769-V849 HydrophobicContact CG2-CG1 4.27Å; N770-V849 WeakPolarHBondContact OD1-CG2 3.34Å; L773-V849 HydrophobicContact CD2-CG2 3.55Å; L847-V849 PolarHBondContact O-N 3.01Å; V849-R851 HydrophobicContact CG1-CG 4.03Å; V849-V853 HydrophobicContact CG1-CB 4.46Å; V849-V853 HydrophobicContact CG1-CG2 3.46Å; V849-V853 VanDerWaalsContact CG1-CG2 3.46Å
850	Y	66.8	Low	72.5	Confident	148 Å²	148	67.9 Å²	67.9	58%	0.58	34%	0.341	S	S	*	.			trans	-93.1	-8.3	-179.9	-60.6	-69.6	0	0	0	114.1	A848	A848-Y850 HydrophobicContact CB-CD2 4.37Å; A848-Y850 HydrophobicContact CB-CE1 4.28Å; A848-Y850 HydrophobicContact CB-CE2 3.6Å
851	R	69.8	Low	73.4	Confident	110 Å²	110	73 Å²	73	42%	0.415	36%	0.36	S	S	.	.	S	Bend	trans	-89	161.2	177.3	59.8	-176.8	166.5	72	4	111.4	E780 V849 V853	E780-R851 IonicContact OE1-CZ 3.87Å; E780-R851 IonicContact OE1-NE 2.68Å; E780-R851 IonicContact OE1-NH1 2.56Å; E780-R851 PolarHBondContact OE1-NH1 2.84Å; E780-R851 IonicContact OE1-NH2 2.68Å; E780-R851 IonicContact OE2-CZ 3.37Å; E780-R851 IonicContact OE2-NE 3.53Å; E780-R851 IonicContact OE2-NH1 3.75Å; E780-R851 PolarHBondContact OE2-NH1 3.16Å; E780-R851 IonicContact OE2-NH2 3.59Å; E780-R851 PolarHBondContact OE2-NH2 2.96Å; V849-R851 HydrophobicContact CG1-CG 4.03Å; R851-V853 HydrophobicContact CG-CG2 4.01Å; R851-V853 PolarHBondContact O-N 2.92Å
852	K	71.6	Confident	74.3	Confident	136 Å²	136	66.2 Å²	66.2	59%	0.591	32%	0.323	S	S	*	.			trans	-70.3	120.8	175.2	-171.1	-178.9	177.5	-169.2	0	108.8
853	V	77.7	Confident	74.8	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.012	31%	0.313	C	S	.	.			trans	-128.7	137.6	178.4	-176.3	0	0	0	0	108.8	R757 V769 G784 L786 V849 R851	R757-V853 PolarHBondContact NH2-O 3.11Å; V769-V853 HydrophobicContact CG2-CB 4Å; V769-V853 HydrophobicContact CG2-CG1 4.01Å; V769-V853 HydrophobicContact CG2-CG2 4.49Å; G784-V853 WeakPolarHBondContact O-CA 3.29Å; L786-V853 HydrophobicContact CD1-CG1 3.62Å; L786-V853 HydrophobicContact CD2-CG1 3.76Å; L786-V853 HydrophobicContact CG-CG1 3.5Å; V849-V853 HydrophobicContact CG1-CB 4.46Å; V849-V853 HydrophobicContact CG1-CG2 3.46Å; V849-V853 VanDerWaalsContact CG1-CG2 3.46Å; R851-V853 HydrophobicContact CG-CG2 4.01Å; R851-V853 PolarHBondContact O-N 2.92Å
854	F	84.8	Confident	75	Confident	71 Å²	71	61.5 Å²	61.5	31%	0.311	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	168.8	178.4	63.3	-84.2	0	0	0	110	D783 G784 G785 L786	D783-F854 WeakPolarHBondContact OD2-CZ 3.26Å; G784-F854 PolarHBondContact O-N 2.66Å; G785-F854 CarbonylContact C-O 3.57Å; L786-F854 WeakPolarHBondContact CB-O 3.39Å; L786-F854 WeakPolarHBondContact CG-O 3.47Å; L786-F854 PolarHBondContact N-O 2.9Å
855	I	88.5	Confident	75.3	Confident	16 Å²	16	63.8 Å²	63.8	8%	0.082	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121.7	176.2	-64.3	177.2	0	0	0	107.4	L759 M761 V767 V789	L759-I855 HydrophobicContact CB-CD1 3.78Å; L759-I855 HydrophobicContact CB-CG1 4.14Å; L759-I855 HydrophobicContact CD1-CD1 4.41Å; L759-I855 HydrophobicContact CD1-CG1 4.04Å; M761-I855 HydrophobicContact CB-CD1 3.62Å; V767-I855 HydrophobicContact CG2-CD1 3.59Å; V789-I855 HydrophobicContact CB-CG2 4.21Å; V789-I855 HydrophobicContact CG1-CD1 4.05Å; V789-I855 HydrophobicContact CG2-CG1 4.24Å; V789-I855 HydrophobicContact CG2-CG2 4.1Å
856	D	86.1	Confident	75.6	Confident	88 Å²	88	60 Å²	60	47%	0.471	28%	0.283	S	S	.	.			trans	-75.3	124.9	175.9	-177.7	24.6	0	0	0	109.8	L786 V787	L786-D856 PolarHBondContact O-N 3.33Å; V787-D856 HydrophobicContact CG2-CB 4.09Å
857	R	82.2	Confident	75.5	Confident	67 Å²	67	63.2 Å²	63.2	25%	0.253	29%	0.294	S	S	.	.			trans	-164.4	165.1	-173.8	62.8	174.2	175.3	-134.3	-6.6	112	N760 M761 E859	N760-R857 VanDerWaalsContact C-NH1 3.34Å; N760-R857 PolarHBondContact O-NH1 3.26Å; N760-R857 PolarHBondContact OD1-NH1 3.41Å; N760-R857 VanDerWaalsContact OD1-NH1 3.11Å; M761-R857 PolarHBondContact O-NH1 2.94Å; R857-E859 HydrophobicContact CG-CG 4.47Å; R857-E859 PolarHBondContact O-N 3.26Å; R857-E859 VanDerWaalsContact O-N 3.16Å
858	D	80.5	Confident	75.1	Confident	93 Å²	93	69.1 Å²	69.1	50%	0.497	32%	0.321	S	S	.	.			trans	-78	96	168.2	-173.5	-15.7	0	0	0	110.9	N860 K861 L862	D858-N860 VanDerWaalsContact C-N 3.31Å; D858-N860 PolarHBondContact O-N 2.92Å; D858-N860 PolarHBondContact OD1-N 2.77Å; D858-N860 VanDerWaalsContact OD1-N 3.1Å; D858-K861 HydrophobicContact CB-CB 3.96Å; D858-K861 PolarHBondContact O-N 3.48Å; D858-K861 PolarHBondContact OD1-N 3.33Å; D858-K861 VanDerWaalsContact OD1-N 3.15Å; D858-L862 PolarHBondContact O-N 3.16Å
859	E	75.8	Confident	74.5	Confident	48 Å²	48	73 Å²	73	22%	0.224	34%	0.336	C	S	.	.	H	α-helix	trans	-63.1	-32.6	179	-67.4	-153.2	158.7	0	0	113.8	I20 R857 K861 L862 L863	I20-E859 HydrophobicContact CG2-CG 4.45Å; I20-E859 WeakPolarHBondContact CG2-OE1 3.42Å; I20-E859 WeakPolarHBondContact CG2-OE2 3.46Å; R857-E859 HydrophobicContact CG-CG 4.47Å; R857-E859 PolarHBondContact O-N 3.26Å; R857-E859 VanDerWaalsContact O-N 3.16Å; E859-K861 VanDerWaalsContact C-N 3.28Å; E859-K861 PolarHBondContact O-N 2.8Å; E859-L862 WeakPolarHBondContact O-CB 3.47Å; E859-L862 PolarHBondContact O-N 3.44Å; E859-L863 WeakPolarHBondContact O-CB 3.47Å; E859-L863 VanDerWaalsContact O-CG 3.32Å; E859-L863 WeakPolarHBondContact O-CG 3.49Å; E859-L863 PolarHBondContact O-N 2.94Å
860	N	74.8	Confident	73.8	Confident	63 Å²	63	71.4 Å²	71.4	34%	0.337	33%	0.328	S	S	.	.	H	α-helix	trans	-66.5	-37.8	179	-64.8	-61.4	0	0	0	110.6	D858 L863 A864 A995	D858-N860 VanDerWaalsContact C-N 3.31Å; D858-N860 PolarHBondContact O-N 2.92Å; D858-N860 PolarHBondContact OD1-N 2.77Å; D858-N860 VanDerWaalsContact OD1-N 3.1Å; N860-L863 PolarHBondContact O-N 3.41Å; N860-A864 WeakPolarHBondContact O-CB 3.32Å; N860-A864 PolarHBondContact O-N 3.22Å; N860-A995 HydrophobicContact CB-CB 3.91Å; N860-A995 VanDerWaalsContact CG-CB 3.47Å
861	K	76.9	Confident	73.2	Confident	139 Å²	139	71.5 Å²	71.5	60%	0.604	33%	0.334	S	S	*	.	H	α-helix	trans	-67.2	-38.2	175.6	-160.8	175.8	-172.7	177.5	0	111.8	D858 E859 K865	D858-K861 HydrophobicContact CB-CB 3.96Å; D858-K861 PolarHBondContact O-N 3.48Å; D858-K861 PolarHBondContact OD1-N 3.33Å; D858-K861 VanDerWaalsContact OD1-N 3.15Å; E859-K861 VanDerWaalsContact C-N 3.28Å; E859-K861 PolarHBondContact O-N 2.8Å; K861-K865 WeakPolarHBondContact O-CG 3.38Å; K861-K865 PolarHBondContact O-N 3.2Å; K861-K865 VanDerWaalsContact O-N 3.16Å
862	L	75.2	Confident	72.3	Confident	11 Å²	11	71.3 Å²	71.3	6%	0.058	35%	0.35	C	S	.	.	H	α-helix	trans	-62.6	-49.8	172.3	174	62.2	0	0	0	111.3	D762 A763 D858 E859 A864 K865 L866	D762-L862 WeakPolarHBondContact OD1-CD1 3.46Å; A763-L862 HydrophobicContact CB-CD1 4.17Å; A763-L862 VanDerWaalsContact N-CD1 3.35Å; D858-L862 PolarHBondContact O-N 3.16Å; E859-L862 WeakPolarHBondContact O-CB 3.47Å; E859-L862 PolarHBondContact O-N 3.44Å; L862-A864 VanDerWaalsContact C-N 3.33Å; L862-A864 PolarHBondContact O-N 3.13Å; L862-K865 WeakPolarHBondContact O-CB 3.31Å; L862-K865 PolarHBondContact O-N 3.03Å; L862-L866 HydrophobicContact CD1-CD1 4.13Å; L862-L866 HydrophobicContact CD1-CG 4.37Å; L862-L866 HydrophobicContact CG-CD1 3.94Å; L862-L866 WeakPolarHBondContact O-CD1 3.43Å; L862-L866 VanDerWaalsContact O-CG 3.29Å; L862-L866 WeakPolarHBondContact O-CG 3.19Å; L862-L866 PolarHBondContact O-N 2.79Å
863	L	70.7	Confident	71.2	Confident	38 Å²	38	68.2 Å²	68.2	20%	0.199	36%	0.357	C	S	.	.	H	α-helix	trans	-56.7	-44.9	176.6	-72.6	172.4	0	0	0	111.9	A23 E859 N860 K865 L866 Y867 M878	A23-L863 HydrophobicContact CB-CD2 3.75Å; E859-L863 WeakPolarHBondContact O-CB 3.47Å; E859-L863 VanDerWaalsContact O-CG 3.32Å; E859-L863 WeakPolarHBondContact O-CG 3.49Å; E859-L863 PolarHBondContact O-N 2.94Å; N860-L863 PolarHBondContact O-N 3.41Å; L863-K865 PolarHBondContact O-N 3.42Å; L863-L866 HydrophobicContact CD2-CD1 4.4Å; L863-L866 WeakPolarHBondContact O-CB 3.48Å; L863-L866 PolarHBondContact O-N 3.32Å; L863-Y867 HydrophobicContact CB-CE2 4.32Å; L863-Y867 WeakPolarHBondContact O-CD2 3.39Å; L863-Y867 PolarHBondContact O-N 3.11Å; L863-M878 HydrophobicContact CD2-SD 3.52Å; L863-M878 VanDerWaalsContact CD2-SD 3.52Å
864	A	70.6	Confident	70.1	Confident	32 Å²	32	69.5 Å²	69.5	26%	0.264	37%	0.37	S	S	.	.	H	α-helix	trans	-59.5	-44	177.2	0	0	0	0	0	112.5	N860 L862 L866 Y867 Q868	N860-A864 WeakPolarHBondContact O-CB 3.32Å; N860-A864 PolarHBondContact O-N 3.22Å; L862-A864 VanDerWaalsContact C-N 3.33Å; L862-A864 PolarHBondContact O-N 3.13Å; A864-L866 VanDerWaalsContact C-N 3.33Å; A864-L866 PolarHBondContact O-N 2.91Å; A864-Y867 PolarHBondContact O-N 2.86Å; A864-Q868 WeakPolarHBondContact O-CG 3.43Å; A864-Q868 PolarHBondContact O-N 3.36Å
865	K	71	Confident	69	Low	82 Å²	82	74.3 Å²	74.3	36%	0.357	39%	0.393	S	S	.	.	H	α-helix	trans	-60.8	-42.5	175.4	-72	178.6	-177	179.8	0	112	D762 K861 L862 L863 Q868 Q869	D762-K865 IonicContact OD1-NZ 3.01Å; D762-K865 IonicContact OD2-NZ 2.79Å; D762-K865 PolarHBondContact OD2-NZ 2.96Å; K861-K865 WeakPolarHBondContact O-CG 3.38Å; K861-K865 PolarHBondContact O-N 3.2Å; K861-K865 VanDerWaalsContact O-N 3.16Å; L862-K865 WeakPolarHBondContact O-CB 3.31Å; L862-K865 PolarHBondContact O-N 3.03Å; L863-K865 PolarHBondContact O-N 3.42Å; K865-Q868 PolarHBondContact O-N 3.05Å; K865-Q869 WeakPolarHBondContact O-CG 3.4Å; K865-Q869 PolarHBondContact O-N 3.31Å
866	L	69.3	Low	67.9	Low	18 Å²	18	78.7 Å²	78.7	9%	0.094	41%	0.409	C	S	.	.	H	α-helix	trans	-63.5	-44.3	-179.8	-69.5	160.4	0	0	0	112	V25 A763 L862 L863 A864 Q869 G870	V25-L866 HydrophobicContact CB-CD1 4.49Å; V25-L866 HydrophobicContact CB-CD2 4.02Å; V25-L866 HydrophobicContact CG1-CD2 3.34Å; V25-L866 HydrophobicContact CG2-CD1 3.2Å; V25-L866 HydrophobicContact CG2-CD2 3.46Å; V25-L866 VanDerWaalsContact CG2-CD2 3.46Å; V25-L866 HydrophobicContact CG2-CG 3.93Å; A763-L866 HydrophobicContact CB-CD2 3.47Å; A763-L866 VanDerWaalsContact CB-CD2 3.47Å; A763-L866 HydrophobicContact CB-CG 4.17Å; L862-L866 HydrophobicContact CD1-CD1 4.13Å; L862-L866 HydrophobicContact CD1-CG 4.37Å; L862-L866 HydrophobicContact CG-CD1 3.94Å; L862-L866 WeakPolarHBondContact O-CD1 3.43Å; L862-L866 VanDerWaalsContact O-CG 3.29Å; L862-L866 WeakPolarHBondContact O-CG 3.19Å; L862-L866 PolarHBondContact O-N 2.79Å; L863-L866 HydrophobicContact CD2-CD1 4.4Å; L863-L866 WeakPolarHBondContact O-CB 3.48Å; L863-L866 PolarHBondContact O-N 3.32Å; A864-L866 VanDerWaalsContact C-N 3.33Å; A864-L866 PolarHBondContact O-N 2.91Å; L866-Q869 PolarHBondContact O-N 3.44Å; L866-G870 PolarHBondContact O-N 2.82Å
867	Y	67.7	Low	67.1	Low	96 Å²	96	74.8 Å²	74.8	38%	0.376	39%	0.389	S	S	.	.	H	α-helix	trans	-65.6	-38.3	177	-73.2	-57.9	0	0	0	112.4	L863 A864 Q871 M878 V888	L863-Y867 HydrophobicContact CB-CE2 4.32Å; L863-Y867 WeakPolarHBondContact O-CD2 3.39Å; L863-Y867 PolarHBondContact O-N 3.11Å; A864-Y867 PolarHBondContact O-N 2.86Å; Y867-Q871 PolarHBondContact O-N 3.48Å; Y867-M878 WeakPolarHBondContact OH-CE 3.34Å; Y867-V888 HydrophobicContact CD1-CG2 3.99Å; Y867-V888 HydrophobicContact CE1-CG2 3.35Å
868	Q	68.5	Low	66.4	Low	136 Å²	136	72.6 Å²	72.6	64%	0.636	38%	0.382	S	S	*	.	H	α-helix	trans	-67.3	-42.1	176.6	-73	175.2	0.7	0	0	112.3	A864 K865	A864-Q868 WeakPolarHBondContact O-CG 3.43Å; A864-Q868 PolarHBondContact O-N 3.36Å; K865-Q868 PolarHBondContact O-N 3.05Å
869	Q	63.6	Low	65.8	Low	97 Å²	97	69.7 Å²	69.7	45%	0.453	36%	0.364	S	S	.	.	H	α-helix	trans	-75	-31.7	178.5	-73.3	-178.2	-13.8	0	0	113.2	K865 L866 Q871 S872	K865-Q869 WeakPolarHBondContact O-CG 3.4Å; K865-Q869 PolarHBondContact O-N 3.31Å; L866-Q869 PolarHBondContact O-N 3.44Å; Q869-Q871 VanDerWaalsContact C-N 3.26Å; Q869-Q871 PolarHBondContact O-N 3.4Å; Q869-S872 WeakPolarHBondContact O-CB 3.16Å; Q869-S872 PolarHBondContact O-N 3.49Å; Q869-S872 VanDerWaalsContact O-N 3.1Å
870	G	56.7	Low	65.3	Low	8 Å²	8	69.8 Å²	69.8	8%	0.082	37%	0.366	C	S	.	.	H	α-helix	trans	-65.4	-26.8	177	0	0	0	0	0	113.5	L866 S872	L866-G870 PolarHBondContact O-N 2.82Å; G870-S872 VanDerWaalsContact C-N 3.25Å; G870-S872 PolarHBondContact O-N 3.19Å
871	Q	54.3	Low	64.8	Low	151 Å²	151	67 Å²	67	71%	0.706	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-25.2	172.2	-74.8	-179.4	-18.8	0	0	112.8	Y867 Q869 G873	Y867-Q871 PolarHBondContact O-N 3.48Å; Q869-Q871 VanDerWaalsContact C-N 3.26Å; Q869-Q871 PolarHBondContact O-N 3.4Å; Q871-G873 PolarHBondContact O-N 3.01Å; Q871-G873 VanDerWaalsContact O-N 3.07Å
872	S	51.7	Low	64.4	Low	106 Å²	106	62 Å²	62	74%	0.741	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	19.4	-179.1	-50.5	0	0	0	0	114	Q869 G870 G874	Q869-S872 WeakPolarHBondContact O-CB 3.16Å; Q869-S872 PolarHBondContact O-N 3.49Å; Q869-S872 VanDerWaalsContact O-N 3.1Å; G870-S872 VanDerWaalsContact C-N 3.25Å; G870-S872 PolarHBondContact O-N 3.19Å; S872-G874 VanDerWaalsContact C-N 3.33Å
873	G	49.3	Very low	64.1	Low	71 Å²	71	61.8 Å²	61.8	73%	0.732	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	15.6	-177.5	0	0	0	0	0	114.4	Q871	Q871-G873 PolarHBondContact O-N 3.01Å; Q871-G873 VanDerWaalsContact O-N 3.07Å
874	G	53.5	Low	64.3	Low	28 Å²	28	60.9 Å²	60.9	29%	0.289	33%	0.327	S	S	.	.			trans	-72	140	179.2	0	0	0	0	0	112.9	S872 W876	S872-G874 VanDerWaalsContact C-N 3.33Å; G874-W876 PolarHBondContact O-N 3.4Å
875	E	61.4	Low	64.5	Low	172 Å²	172	60.5 Å²	60.5	80%	0.804	32%	0.319	S	S	*	.			trans	-63.1	13.8	175.7	-67.5	-176.3	132.7	0	0	115	V27	V27-E875 WeakPolarHBondContact CG2-O 3.31Å
876	W	66.5	Low	65	Low	108 Å²	108	59.4 Å²	59.4	41%	0.409	32%	0.315	S	S	.	.			trans	-88.7	124.9	-171.7	-51.8	108	0	0	0	111.3	V25 T26 G874	V25-W876 HydrophobicContact CG1-CE3 4.1Å; T26-W876 HydrophobicContact CG2-CZ3 4.33Å; G874-W876 PolarHBondContact O-N 3.4Å
877	A	68.4	Low	65.4	Low	6 Å²	6	62.8 Å²	62.8	5%	0.05	33%	0.33	C	S	.	.			trans	-120.8	146.1	172.7	0	0	0	0	0	110.9	T26 I884 F885	T26-A877 PolarHBondContact N-O 2.79Å; A877-I884 HydrophobicContact CB-CG2 3.53Å; A877-F885 CarbonylContact C-O 3.58Å; A877-F885 VanDerWaalsContact CA-O 3.26Å; A877-F885 WeakPolarHBondContact CA-O 3.48Å; A877-F885 WeakPolarHBondContact CB-O 3.45Å
878	M	67.7	Low	65.9	Low	21 Å²	21	61.2 Å²	61.2	10%	0.103	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	121.1	174	176.2	-177.8	68.6	0	0	110	A23 A24 L863 Y867 I880 I884 F885	A23-M878 HydrophobicContact CB-CG 3.89Å; A23-M878 HydrophobicContact CB-SD 3.71Å; A24-M878 WeakPolarHBondContact O-CA 3.21Å; L863-M878 HydrophobicContact CD2-SD 3.52Å; L863-M878 VanDerWaalsContact CD2-SD 3.52Å; Y867-M878 WeakPolarHBondContact OH-CE 3.34Å; M878-I880 HydrophobicContact CE-CD1 3.75Å; M878-I880 HydrophobicContact CE-CG1 4.28Å; M878-I880 HydrophobicContact CG-CG1 4.41Å; M878-I880 HydrophobicContact SD-CD1 4.32Å; M878-I884 CarbonylContact O-C 3.43Å; M878-F885 HydrophobicContact CB-CB 4.29Å; M878-F885 HydrophobicContact CE-CB 4.19Å; M878-F885 HydrophobicContact CE-CD2 3.64Å; M878-F885 HydrophobicContact CE-CE2 4.21Å; M878-F885 HydrophobicContact CE-CG 4.07Å; M878-F885 PolarHBondContact N-O 2.9Å; M878-F885 PolarHBondContact O-N 3.36Å
879	R	69.2	Low	66.6	Low	32 Å²	32	56.2 Å²	56.2	12%	0.121	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.6	177.8	-175.3	174	176.6	161	-6.6	112.7	A24 G881 L883 I884	A24-R879 HydrophobicContact CB-CB 4.41Å; A24-R879 PolarHBondContact N-O 3.05Å; A24-R879 PolarHBondContact O-N 3.06Å; R879-G881 PolarHBondContact NE-O 2.81Å; R879-G881 PolarHBondContact NH2-O 2.67Å; R879-L883 CarbonylContact C-O 3.55Å; R879-L883 VanDerWaalsContact CA-O 3.31Å; R879-L883 WeakPolarHBondContact CA-O 3.42Å; R879-L883 WeakPolarHBondContact CG-O 3.4Å; R879-I884 HydrophobicContact CB-CG1 4.27Å; R879-I884 HydrophobicContact CG-CG1 3.92Å
880	I	64.5	Low	67.6	Low	51 Å²	51	57.4 Å²	57.4	26%	0.262	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	92.4	171.6	-53.7	-178.4	0	0	0	108.1	M878 T882 L883 F885	M878-I880 HydrophobicContact CE-CD1 3.75Å; M878-I880 HydrophobicContact CE-CG1 4.28Å; M878-I880 HydrophobicContact CG-CG1 4.41Å; M878-I880 HydrophobicContact SD-CD1 4.32Å; I880-T882 PolarHBondContact O-N 2.82Å; I880-L883 CarbonylContact C-O 3.51Å; I880-L883 PolarHBondContact N-O 3.37Å; I880-L883 WeakPolarHBondContact O-CB 3.23Å; I880-L883 PolarHBondContact O-N 3Å; I880-F885 HydrophobicContact CD1-CD2 4.37Å; I880-F885 HydrophobicContact CD1-CE2 4.11Å
881	G	64.1	Low	68.8	Low	5 Å²	5	59.2 Å²	59.2	5%	0.052	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	-119.3	179.7	0	0	0	0	0	112.9	Q53 R879 L883	Q53-G881 VanDerWaalsContact CD-CA 3.4Å; Q53-G881 VanDerWaalsContact NE2-N 3.15Å; R879-G881 PolarHBondContact NE-O 2.81Å; R879-G881 PolarHBondContact NH2-O 2.67Å; G881-L883 VanDerWaalsContact C-N 3.27Å
882	T	68.5	Low	70.2	Confident	34 Å²	34	55.6 Å²	55.6	21%	0.209	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-10.2	173.4	52.9	0	0	0	0	113.9	C51 G52 I880 R914 V915	C51-T882 PolarHBondContact O-N 3.42Å; G52-T882 VanDerWaalsContact CA-CG2 3.43Å; I880-T882 PolarHBondContact O-N 2.82Å; T882-R914 CarbonylContact O-C 3.54Å; T882-R914 WeakPolarHBondContact O-CA 3.5Å; T882-V915 VanDerWaalsContact CB-O 3.28Å; T882-V915 WeakPolarHBondContact CB-O 3.31Å; T882-V915 HydrophobicContact CG2-CB 4.42Å; T882-V915 WeakPolarHBondContact CG2-O 3.17Å; T882-V915 PolarHBondContact O-N 2.79Å
883	L	69.8	Low	71.7	Confident	5 Å²	5	53.4 Å²	53.4	3%	0.026	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	130.6	-175	151.2	51.8	0	0	0	110.6	R879 I880 G881 F885 V912 S913 R914 L985	R879-L883 CarbonylContact C-O 3.55Å; R879-L883 VanDerWaalsContact CA-O 3.31Å; R879-L883 WeakPolarHBondContact CA-O 3.42Å; R879-L883 WeakPolarHBondContact CG-O 3.4Å; I880-L883 CarbonylContact C-O 3.51Å; I880-L883 PolarHBondContact N-O 3.37Å; I880-L883 WeakPolarHBondContact O-CB 3.23Å; I880-L883 PolarHBondContact O-N 3Å; G881-L883 VanDerWaalsContact C-N 3.27Å; L883-F885 HydrophobicContact CD1-CD1 4.35Å; L883-F885 HydrophobicContact CD1-CD2 3.5Å; L883-F885 HydrophobicContact CD1-CE1 4.47Å; L883-F885 HydrophobicContact CD1-CE2 3.68Å; L883-F885 HydrophobicContact CD1-CG 3.88Å; L883-F885 HydrophobicContact CD1-CZ 4.16Å; L883-F885 HydrophobicContact CD2-CD2 3.85Å; L883-F885 HydrophobicContact CD2-CE2 3.16Å; L883-F885 HydrophobicContact CD2-CZ 3.65Å; L883-F885 HydrophobicContact CG-CD2 3.65Å; L883-F885 HydrophobicContact CG-CE2 3.54Å; L883-F885 HydrophobicContact CG-CZ 4.29Å; L883-V912 HydrophobicContact CD1-CB 3.76Å; L883-V912 HydrophobicContact CD1-CG1 3.87Å; L883-V912 HydrophobicContact CD1-CG2 4.47Å; L883-S913 CarbonylContact C-O 3.48Å; L883-S913 WeakPolarHBondContact CA-O 3.25Å; L883-R914 VanDerWaalsContact CG-NH1 3.33Å; L883-L985 HydrophobicContact CD2-CD1 3.14Å; L883-L985 HydrophobicContact CD2-CD2 4.17Å; L883-L985 HydrophobicContact CD2-CG 4.21Å
884	I	74.4	Confident	73.3	Confident	20 Å²	20	57 Å²	57	10%	0.103	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	114.7	174.1	-55.5	167	0	0	0	106.9	A877 M878 R879 V912 S913	A877-I884 HydrophobicContact CB-CG2 3.53Å; M878-I884 CarbonylContact O-C 3.43Å; R879-I884 HydrophobicContact CB-CG1 4.27Å; R879-I884 HydrophobicContact CG-CG1 3.92Å; I884-V912 CarbonylContact O-C 3.54Å; I884-V912 WeakPolarHBondContact O-CA 3.48Å; I884-V912 WeakPolarHBondContact O-CB 3.48Å; I884-S913 PolarHBondContact N-O 2.81Å; I884-S913 PolarHBondContact O-N 2.81Å
885	F	75.1	Confident	74.8	Confident	23 Å²	23	56.8 Å²	56.8	10%	0.101	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	120.9	177.1	-83.1	-84.9	0	0	0	109.9	A877 M878 I880 L883 Y910 V912 L985	A877-F885 CarbonylContact C-O 3.58Å; A877-F885 VanDerWaalsContact CA-O 3.26Å; A877-F885 WeakPolarHBondContact CA-O 3.48Å; A877-F885 WeakPolarHBondContact CB-O 3.45Å; M878-F885 HydrophobicContact CB-CB 4.29Å; M878-F885 HydrophobicContact CE-CB 4.19Å; M878-F885 HydrophobicContact CE-CD2 3.64Å; M878-F885 HydrophobicContact CE-CE2 4.21Å; M878-F885 HydrophobicContact CE-CG 4.07Å; M878-F885 PolarHBondContact N-O 2.9Å; M878-F885 PolarHBondContact O-N 3.36Å; I880-F885 HydrophobicContact CD1-CD2 4.37Å; I880-F885 HydrophobicContact CD1-CE2 4.11Å; L883-F885 HydrophobicContact CD1-CD1 4.35Å; L883-F885 HydrophobicContact CD1-CD2 3.5Å; L883-F885 HydrophobicContact CD1-CE1 4.47Å; L883-F885 HydrophobicContact CD1-CE2 3.68Å; L883-F885 HydrophobicContact CD1-CG 3.88Å; L883-F885 HydrophobicContact CD1-CZ 4.16Å; L883-F885 HydrophobicContact CD2-CD2 3.85Å; L883-F885 HydrophobicContact CD2-CE2 3.16Å; L883-F885 HydrophobicContact CD2-CZ 3.65Å; L883-F885 HydrophobicContact CG-CD2 3.65Å; L883-F885 HydrophobicContact CG-CE2 3.54Å; L883-F885 HydrophobicContact CG-CZ 4.29Å; F885-Y910 HydrophobicContact CD1-CE2 4.39Å; F885-Y910 AromaticContact CE1-CE2 3.81Å; F885-Y910 HydrophobicContact CE1-CE2 3.81Å; F885-V912 HydrophobicContact CD1-CG1 3.5Å; F885-V912 HydrophobicContact CE1-CG1 3.86Å; F885-V912 HydrophobicContact CG-CG1 4.11Å; F885-L985 HydrophobicContact CZ-CB 4.4Å; F885-L985 HydrophobicContact CZ-CD2 4.39Å
886	H	80.5	Confident	75.7	Confident	60 Å²	60	52.8 Å²	52.8	28%	0.278	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-52.6	173.7	-53	-63	0	0	0	109.8	S911 S913	H886-S911 WeakPolarHBondContact CA-O 2.93Å; H886-S911 WeakPolarHBondContact CB-O 3.46Å; H886-S911 PolarHBondContact N-O 3.5Å; H886-S913 PolarHBondContact NE2-N 3.1Å; H886-S913 PolarHBondContact NE2-OG 3.32Å
887	H	78	Confident	76.4	Confident	88 Å²	88	51.8 Å²	51.8	41%	0.407	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	133.6	179.7	-58.7	-70.6	0	0	0	110.8	G889 G909 Y910 S911	H887-G889 PolarHBondContact O-N 2.99Å; H887-G909 WeakPolarHBondContact CB-O 2.73Å; H887-Y910 CarbonylContact O-C 3.21Å; H887-Y910 WeakPolarHBondContact O-CA 3.48Å; H887-S911 PolarHBondContact N-O 2.81Å; H887-S911 PolarHBondContact O-N 2.61Å
888	V	77.9	Confident	77.2	Confident	64 Å²	64	55 Å²	55	39%	0.388	29%	0.294	S	S	.	.			trans	-75.2	-18.2	175	176.9	0	0	0	0	111.3	Y867 P907 Y910	Y867-V888 HydrophobicContact CD1-CG2 3.99Å; Y867-V888 HydrophobicContact CE1-CG2 3.35Å; V888-P907 WeakPolarHBondContact O-CB 3.46Å; V888-Y910 WeakPolarHBondContact O-CD2 3.33Å
889	G	83.7	Confident	78	Confident	31 Å²	31	54.1 Å²	54.1	32%	0.32	29%	0.289	S	S	.	.			trans	73.8	-178.8	-170.8	0	0	0	0	0	112.3	H887 V908	H887-G889 PolarHBondContact O-N 2.99Å; G889-V908 CarbonylContact C-O 3.56Å; G889-V908 WeakPolarHBondContact CA-O 3.43Å
890	Q	84.5	Confident	78.4	Confident	121 Å²	121	56.9 Å²	56.9	57%	0.565	30%	0.304	S	S	*	.	B	Isolated β-bridge	trans	-140.7	156.7	177.4	64.8	-174.9	11.4	0	0	109.6	V908	Q890-V908 PolarHBondContact N-O 3.5Å; Q890-V908 PolarHBondContact O-N 3.39Å
891	L	82	Confident	78.7	Confident	46 Å²	46	57.1 Å²	57.1	24%	0.241	31%	0.307	C	S	.	.			trans	-127.4	114.8	175.8	-171.1	66.2	0	0	0	108.6	Q895 L896 F899 V905	L891-Q895 HydrophobicContact CD1-CB 3.5Å; L891-Q895 VanDerWaalsContact CD1-CB 3.5Å; L891-Q895 HydrophobicContact CG-CB 4.36Å; L891-L896 HydrophobicContact CD2-CD2 3.54Å; L891-L896 HydrophobicContact CD2-CG 4.13Å; L891-L896 HydrophobicContact CG-CD2 4.31Å; L891-L896 HydrophobicContact CG-CG 4.42Å; L891-F899 HydrophobicContact CD1-CB 3.44Å; L891-F899 VanDerWaalsContact CD1-CB 3.44Å; L891-F899 HydrophobicContact CD1-CG 4.04Å; L891-V905 HydrophobicContact CD2-CG1 3.8Å
892	L	83.1	Confident	78.6	Confident	76 Å²	76	67.1 Å²	67.1	40%	0.398	34%	0.344	S	S	.	.			trans	-78.9	154	177.8	-58.8	176.6	0	0	0	110.3	E894 Q895 L896	L892-E894 WeakPolarHBondContact CB-OE2 3.42Å; L892-E894 PolarHBondContact O-N 3Å; L892-Q895 HydrophobicContact CB-CG 4.31Å; L892-Q895 WeakPolarHBondContact O-CB 3.42Å; L892-Q895 PolarHBondContact O-N 3.28Å; L892-L896 PolarHBondContact O-N 2.98Å
893	P	83.7	Confident	78.1	Confident	59 Å²	59	68.7 Å²	68.7	38%	0.383	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-37.5	179.5	-27.8	36.3	0	0	0	113.9	Q895 L896 L1009	P893-Q895 VanDerWaalsContact C-N 3.25Å; P893-Q895 PolarHBondContact O-N 3.33Å; P893-L896 WeakPolarHBondContact O-CB 3.37Å; P893-L896 PolarHBondContact O-N 3.47Å; P893-L1009 HydrophobicContact CG-CD1 4.45Å
894	E	83.6	Confident	78.1	Confident	146 Å²	146	70.9 Å²	70.9	68%	0.682	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-24.6	-179.7	-55.4	74.4	-158.3	0	0	112.4	L892 P897	L892-E894 WeakPolarHBondContact CB-OE2 3.42Å; L892-E894 PolarHBondContact O-N 3Å; E894-P897 WeakPolarHBondContact O-CD 3.24Å
895	Q	84.9	Confident	78.3	Confident	24 Å²	24	71.8 Å²	71.8	11%	0.112	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-20.6	-179.1	-65.9	170.8	-33.2	0	0	112.6	L891 L892 P893 P897 N898 F899 D934	L891-Q895 HydrophobicContact CD1-CB 3.5Å; L891-Q895 VanDerWaalsContact CD1-CB 3.5Å; L891-Q895 HydrophobicContact CG-CB 4.36Å; L892-Q895 HydrophobicContact CB-CG 4.31Å; L892-Q895 WeakPolarHBondContact O-CB 3.42Å; L892-Q895 PolarHBondContact O-N 3.28Å; P893-Q895 VanDerWaalsContact C-N 3.25Å; P893-Q895 PolarHBondContact O-N 3.33Å; Q895-P897 VanDerWaalsContact C-N 3.32Å; Q895-P897 VanDerWaalsContact O-N 3.14Å; Q895-N898 PolarHBondContact O-N 3.37Å; Q895-N898 VanDerWaalsContact O-N 3.16Å; Q895-F899 HydrophobicContact CB-CD2 3.7Å; Q895-F899 HydrophobicContact CB-CE2 4.12Å; Q895-F899 HydrophobicContact CB-CG 4.21Å; Q895-F899 HydrophobicContact CG-CD2 4.26Å; Q895-F899 HydrophobicContact CG-CE2 4.17Å; Q895-F899 WeakPolarHBondContact O-CB 3.45Å; Q895-F899 VanDerWaalsContact O-CD2 3.24Å; Q895-F899 WeakPolarHBondContact O-CD2 3.33Å; Q895-F899 PolarHBondContact O-N 3.08Å; Q895-D934 PolarHBondContact NE2-OD2 3.47Å
896	L	80.2	Confident	78.6	Confident	88 Å²	88	71.5 Å²	71.5	46%	0.461	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-41	-177.6	-81.2	163.6	0	0	0	115.1	L891 L892 P893 N898 H900	L891-L896 HydrophobicContact CD2-CD2 3.54Å; L891-L896 HydrophobicContact CD2-CG 4.13Å; L891-L896 HydrophobicContact CG-CD2 4.31Å; L891-L896 HydrophobicContact CG-CG 4.42Å; L892-L896 PolarHBondContact O-N 2.98Å; P893-L896 WeakPolarHBondContact O-CB 3.37Å; P893-L896 PolarHBondContact O-N 3.47Å; L896-N898 VanDerWaalsContact C-N 3.33Å; L896-N898 PolarHBondContact O-N 3.38Å; L896-H900 PolarHBondContact O-CD2 3.13Å; L896-H900 PolarHBondContact O-CE1 2.76Å; L896-H900 PolarHBondContact O-ND1 3Å; L896-H900 PolarHBondContact O-NE2 2.96Å
897	P	81.3	Confident	78.8	Confident	87 Å²	87	69.6 Å²	69.6	57%	0.565	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-36.4	-177.8	-24.4	35.4	0	0	0	114.2	E894 Q895 H900	E894-P897 WeakPolarHBondContact O-CD 3.24Å; Q895-P897 VanDerWaalsContact C-N 3.32Å; Q895-P897 VanDerWaalsContact O-N 3.14Å; P897-H900 PolarHBondContact O-CE1 2.93Å
898	N	84.5	Confident	79.2	Confident	75 Å²	75	66.6 Å²	66.6	40%	0.401	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-22.9	-170.2	-64.8	-22	0	0	0	113.6	Q895 L896 H900 G937 Q938	Q895-N898 PolarHBondContact O-N 3.37Å; Q895-N898 VanDerWaalsContact O-N 3.16Å; L896-N898 VanDerWaalsContact C-N 3.33Å; L896-N898 PolarHBondContact O-N 3.38Å; N898-H900 VanDerWaalsContact C-N 3.31Å; N898-H900 PolarHBondContact O-N 3.48Å; N898-G937 WeakPolarHBondContact CB-O 3.2Å; N898-G937 PolarHBondContact ND2-O 3.21Å; N898-Q938 PolarHBondContact ND2-NE2 3.45Å
899	F	84.8	Confident	79.7	Confident	1 Å²	1	64.8 Å²	64.8	0%	0.004	34%	0.34	C	S	.	.	S	Bend	trans	-98.1	33.2	-172.6	-74	-103.4	0	0	0	112.9	L891 Q895 Y906 V908 D934 G937 P939	L891-F899 HydrophobicContact CD1-CB 3.44Å; L891-F899 VanDerWaalsContact CD1-CB 3.44Å; L891-F899 HydrophobicContact CD1-CG 4.04Å; Q895-F899 HydrophobicContact CB-CD2 3.7Å; Q895-F899 HydrophobicContact CB-CE2 4.12Å; Q895-F899 HydrophobicContact CB-CG 4.21Å; Q895-F899 HydrophobicContact CG-CD2 4.26Å; Q895-F899 HydrophobicContact CG-CE2 4.17Å; Q895-F899 WeakPolarHBondContact O-CB 3.45Å; Q895-F899 VanDerWaalsContact O-CD2 3.24Å; Q895-F899 WeakPolarHBondContact O-CD2 3.33Å; Q895-F899 PolarHBondContact O-N 3.08Å; F899-Y906 VanDerWaalsContact C-CD2 3.49Å; F899-Y906 WeakPolarHBondContact CD1-O 3.31Å; F899-Y906 PolarHBondContact O-N 2.83Å; F899-V908 HydrophobicContact CD1-CG2 3.57Å; F899-V908 HydrophobicContact CE1-CG2 3.27Å; F899-V908 HydrophobicContact CG-CG2 4.42Å; F899-V908 HydrophobicContact CZ-CG2 3.92Å; F899-D934 HydrophobicContact CE1-CB 4.32Å; F899-D934 HydrophobicContact CZ-CB 3.86Å; F899-D934 VanDerWaalsContact CZ-CG 3.46Å; F899-G937 WeakPolarHBondContact CE2-O 3.46Å; F899-P939 HydrophobicContact CD1-CB 3.65Å; F899-P939 HydrophobicContact CD1-CG 4.22Å; F899-P939 HydrophobicContact CE1-CB 3.64Å; F899-P939 HydrophobicContact CE1-CG 4.38Å
900	H	78.3	Confident	79.8	Confident	91 Å²	91	63.5 Å²	63.5	42%	0.421	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-149.8	161.4	172.8	71.2	-0.2	0	0	0	111.4	L896 P897 N898 F904 V905	L896-H900 PolarHBondContact O-CD2 3.13Å; L896-H900 PolarHBondContact O-CE1 2.76Å; L896-H900 PolarHBondContact O-ND1 3Å; L896-H900 PolarHBondContact O-NE2 2.96Å; P897-H900 PolarHBondContact O-CE1 2.93Å; N898-H900 VanDerWaalsContact C-N 3.31Å; N898-H900 PolarHBondContact O-N 3.48Å; H900-F904 CarbonylContact C-O 3.58Å; H900-F904 VanDerWaalsContact CA-O 3.28Å; H900-F904 WeakPolarHBondContact CA-O 3.44Å; H900-F904 WeakPolarHBondContact CB-O 3.37Å; H900-V905 HydrophobicContact CB-CG2 4.42Å
901	T	70	Confident	79.9	Confident	55 Å²	55	59 Å²	59	34%	0.337	31%	0.307	S	S	.	.			trans	-123.4	177.5	161.5	56.1	0	0	0	0	108.4	D903 F904 Y906	T901-D903 PolarHBondContact O-N 3.43Å; T901-F904 PolarHBondContact N-O 3.43Å; T901-F904 PolarHBondContact O-N 3.34Å; T901-F904 PolarHBondContact OG1-N 2.84Å; T901-Y906 HydrophobicContact CG2-CE2 3.97Å; T901-Y906 WeakPolarHBondContact CG2-OH 3.28Å; T901-Y906 PolarHBondContact OG1-OH 3.23Å
902	R	62.1	Low	80	Confident	216 Å²	216	56.8 Å²	56.8	82%	0.815	30%	0.296	S	S	*	.	S	Bend	trans	-49.1	-33.9	173.3	-172	-170.7	67.2	-160.6	-9.6	113
903	D	56.8	Low	80	Confident	67 Å²	67	53.3 Å²	53.3	36%	0.358	28%	0.278	S	S	.	.	S	Bend	trans	-113.3	-9.5	-169	-57.3	-36.3	0	0	0	113.8	T901 L988	T901-D903 PolarHBondContact O-N 3.43Å; D903-L988 VanDerWaalsContact C-CD1 3.45Å; D903-L988 WeakPolarHBondContact O-CD1 3.4Å
904	F	71.5	Confident	79.6	Confident	50 Å²	50	50.9 Å²	50.9	22%	0.219	26%	0.261	C	S	.	.			trans	-145.9	153.2	-173.2	-56.2	-78.1	0	0	0	113.4	H900 T901 Y906 R983	H900-F904 CarbonylContact C-O 3.58Å; H900-F904 VanDerWaalsContact CA-O 3.28Å; H900-F904 WeakPolarHBondContact CA-O 3.44Å; H900-F904 WeakPolarHBondContact CB-O 3.37Å; T901-F904 PolarHBondContact N-O 3.43Å; T901-F904 PolarHBondContact O-N 3.34Å; T901-F904 PolarHBondContact OG1-N 2.84Å; F904-Y906 HydrophobicContact CB-CD1 4.47Å; F904-Y906 HydrophobicContact CB-CE1 3.59Å; F904-Y906 HydrophobicContact CG-CE1 4.47Å; F904-R983 HydrophobicContact CD1-CB 4.25Å; F904-R983 WeakPolarHBondContact CD1-O 3.3Å; F904-R983 HydrophobicContact CE1-CB 3.85Å; F904-R983 WeakPolarHBondContact CE1-O 3.38Å; F904-R983 HydrophobicContact CZ-CB 4.26Å
905	V	77.4	Confident	78.9	Confident	39 Å²	39	45.3 Å²	45.3	24%	0.236	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-116.4	146.1	169.9	179.1	0	0	0	0	109.2	L891 H900 P907 L986 L988	L891-V905 HydrophobicContact CD2-CG1 3.8Å; H900-V905 HydrophobicContact CB-CG2 4.42Å; V905-P907 HydrophobicContact CG1-CG 4.44Å; V905-P907 WeakPolarHBondContact O-CD 3.33Å; V905-L986 WeakPolarHBondContact O-CB 3.35Å; V905-L988 HydrophobicContact CG2-CD1 4.47Å; V905-L988 HydrophobicContact CG2-CD2 4.13Å; V905-L988 HydrophobicContact CG2-CG 3.98Å
906	Y	81.8	Confident	78.1	Confident	18 Å²	18	48 Å²	48	7%	0.071	25%	0.246	C	C	.	.			trans	-121	81.4	-177.3	-47.1	-50	0	0	0	110.3	F899 T901 F904 V908 P939 F941 L960 L986	F899-Y906 VanDerWaalsContact C-CD2 3.49Å; F899-Y906 WeakPolarHBondContact CD1-O 3.31Å; F899-Y906 PolarHBondContact O-N 2.83Å; T901-Y906 HydrophobicContact CG2-CE2 3.97Å; T901-Y906 WeakPolarHBondContact CG2-OH 3.28Å; T901-Y906 PolarHBondContact OG1-OH 3.23Å; F904-Y906 HydrophobicContact CB-CD1 4.47Å; F904-Y906 HydrophobicContact CB-CE1 3.59Å; F904-Y906 HydrophobicContact CG-CE1 4.47Å; Y906-V908 PolarHBondContact O-N 3.38Å; Y906-P939 HydrophobicContact CD2-CB 4.42Å; Y906-P939 HydrophobicContact CD2-CG 4.04Å; Y906-F941 AromaticContact CD1-CE1 3.88Å; Y906-F941 HydrophobicContact CD1-CE1 3.88Å; Y906-F941 AromaticContact CD1-CZ 3.81Å; Y906-F941 HydrophobicContact CD1-CZ 3.81Å; Y906-F941 HydrophobicContact CD2-CZ 4.13Å; Y906-F941 HydrophobicContact CE1-CE1 4.4Å; Y906-F941 HydrophobicContact CE1-CZ 4.13Å; Y906-F941 HydrophobicContact CE2-CZ 4.43Å; Y906-F941 HydrophobicContact CG-CE1 4.16Å; Y906-F941 AromaticContact CG-CZ 3.81Å; Y906-F941 HydrophobicContact CG-CZ 3.81Å; Y906-L960 HydrophobicContact CE1-CD1 4.15Å; Y906-L986 HydrophobicContact CD1-CD1 4.37Å
907	P	85.6	Confident	77.4	Confident	19 Å²	19	47.4 Å²	47.4	12%	0.123	24%	0.238	C	C	.	.			trans	-64.4	131.4	179.4	-16.9	30.3	0	0	0	110.9	V888 V905 Y910 L986	V888-P907 WeakPolarHBondContact O-CB 3.46Å; V905-P907 HydrophobicContact CG1-CG 4.44Å; V905-P907 WeakPolarHBondContact O-CD 3.33Å; P907-Y910 VanDerWaalsContact O-CB 3.25Å; P907-Y910 WeakPolarHBondContact O-CB 3.02Å; P907-Y910 PolarHBondContact O-N 2.83Å; P907-L986 VanDerWaalsContact CD-CD2 3.47Å; P907-L986 HydrophobicContact CG-CD2 4.01Å
908	V	86.6	Confident	76.8	Confident	26 Å²	26	44 Å²	44	16%	0.158	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-72.6	137.7	175.6	177.4	0	0	0	0	109.5	G889 Q890 F899 Y906 Y910 D934	G889-V908 CarbonylContact C-O 3.56Å; G889-V908 WeakPolarHBondContact CA-O 3.43Å; Q890-V908 PolarHBondContact N-O 3.5Å; Q890-V908 PolarHBondContact O-N 3.39Å; F899-V908 HydrophobicContact CD1-CG2 3.57Å; F899-V908 HydrophobicContact CE1-CG2 3.27Å; F899-V908 HydrophobicContact CG-CG2 4.42Å; F899-V908 HydrophobicContact CZ-CG2 3.92Å; Y906-V908 PolarHBondContact O-N 3.38Å; V908-Y910 VanDerWaalsContact C-N 3.28Å; V908-D934 HydrophobicContact CG1-CB 3.89Å; V908-D934 HydrophobicContact CG2-CB 4.02Å
909	G	86.5	Confident	75.8	Confident	26 Å²	26	42 Å²	42	27%	0.268	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	4.8	-173.9	0	0	0	0	0	113.7	H887 S911 I932	H887-G909 WeakPolarHBondContact CB-O 2.73Å; G909-S911 PolarHBondContact O-N 3.03Å; G909-I932 PolarHBondContact N-O 3.29Å
910	Y	86.1	Confident	75	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.016	22%	0.224	C	C	.	.			trans	-58.6	124.8	172.6	177.2	-89.8	0	0	0	109.8	F885 H887 V888 P907 V908 V912 H931 I932 V982 L986	F885-Y910 HydrophobicContact CD1-CE2 4.39Å; F885-Y910 AromaticContact CE1-CE2 3.81Å; F885-Y910 HydrophobicContact CE1-CE2 3.81Å; H887-Y910 CarbonylContact O-C 3.21Å; H887-Y910 WeakPolarHBondContact O-CA 3.48Å; V888-Y910 WeakPolarHBondContact O-CD2 3.33Å; P907-Y910 VanDerWaalsContact O-CB 3.25Å; P907-Y910 WeakPolarHBondContact O-CB 3.02Å; P907-Y910 PolarHBondContact O-N 2.83Å; V908-Y910 VanDerWaalsContact C-N 3.28Å; Y910-V912 HydrophobicContact CD1-CG1 4.32Å; Y910-V912 HydrophobicContact CE1-CB 4.2Å; Y910-V912 HydrophobicContact CE1-CG1 3.54Å; Y910-V912 HydrophobicContact CE1-CG2 3.58Å; Y910-V912 HydrophobicContact CE2-CG1 3.98Å; Y910-V912 WeakPolarHBondContact OH-CG1 3.35Å; Y910-H931 CarbonylContact O-C 3.43Å; Y910-H931 VanDerWaalsContact O-CA 3.25Å; Y910-H931 WeakPolarHBondContact O-CA 3.26Å; Y910-H931 PolarHBondContact O-ND1 3.2Å; Y910-I932 HydrophobicContact CD1-CD1 3.97Å; Y910-I932 HydrophobicContact CD1-CG1 4.1Å; Y910-I932 HydrophobicContact CG-CD1 4.15Å; Y910-I932 HydrophobicContact CG-CG1 4.49Å; Y910-I932 PolarHBondContact O-N 3.42Å; Y910-V982 HydrophobicContact CE1-CG1 3.72Å; Y910-L986 HydrophobicContact CD2-CD2 3.71Å; Y910-L986 HydrophobicContact CE2-CD2 3.62Å; Y910-L986 HydrophobicContact CE2-CG 4.32Å; Y910-L986 HydrophobicContact CG-CD2 4.33Å
911	S	87.1	Confident	74.3	Confident	26 Å²	26	44.6 Å²	44.6	18%	0.182	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	122.6	-176.2	-177.3	0	0	0	0	110.6	H886 H887 G909 C930	H886-S911 WeakPolarHBondContact CA-O 2.93Å; H886-S911 WeakPolarHBondContact CB-O 3.46Å; H886-S911 PolarHBondContact N-O 3.5Å; H887-S911 PolarHBondContact N-O 2.81Å; H887-S911 PolarHBondContact O-N 2.61Å; G909-S911 PolarHBondContact O-N 3.03Å; S911-C930 WeakPolarHBondContact CA-O 3.43Å
912	V	83.8	Confident	73.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	151.7	179.4	-58.9	0	0	0	0	111.1	L883 I884 F885 Y910 C930	L883-V912 HydrophobicContact CD1-CB 3.76Å; L883-V912 HydrophobicContact CD1-CG1 3.87Å; L883-V912 HydrophobicContact CD1-CG2 4.47Å; I884-V912 CarbonylContact O-C 3.54Å; I884-V912 WeakPolarHBondContact O-CA 3.48Å; I884-V912 WeakPolarHBondContact O-CB 3.48Å; F885-V912 HydrophobicContact CD1-CG1 3.5Å; F885-V912 HydrophobicContact CE1-CG1 3.86Å; F885-V912 HydrophobicContact CG-CG1 4.11Å; Y910-V912 HydrophobicContact CD1-CG1 4.32Å; Y910-V912 HydrophobicContact CE1-CB 4.2Å; Y910-V912 HydrophobicContact CE1-CG1 3.54Å; Y910-V912 HydrophobicContact CE1-CG2 3.58Å; Y910-V912 HydrophobicContact CE2-CG1 3.98Å; Y910-V912 WeakPolarHBondContact OH-CG1 3.35Å; V912-C930 HydrophobicContact CG2-CB 3.76Å; V912-C930 PolarHBondContact N-O 3.13Å; V912-C930 PolarHBondContact O-N 3.35Å
913	S	82.5	Confident	73.4	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	142.7	162.4	-62.8	0	0	0	0	110.8	L883 I884 H886 Y928 H929	L883-S913 CarbonylContact C-O 3.48Å; L883-S913 WeakPolarHBondContact CA-O 3.25Å; I884-S913 PolarHBondContact N-O 2.81Å; I884-S913 PolarHBondContact O-N 2.81Å; H886-S913 PolarHBondContact NE2-N 3.1Å; H886-S913 PolarHBondContact NE2-OG 3.32Å; S913-Y928 CarbonylContact C-O 3.59Å; S913-Y928 VanDerWaalsContact CA-O 3.23Å; S913-Y928 WeakPolarHBondContact CA-O 3.21Å; S913-H929 PolarHBondContact OG-CE1 2.82Å; S913-H929 PolarHBondContact OG-ND1 3.33Å
914	R	75.8	Confident	73.5	Confident	8 Å²	8	49.6 Å²	49.6	3%	0.03	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.1	172.2	-76.3	-70.7	-170.8	-67.5	-0.2	109.4	T882 L883 V927 Y928 M978 S981 V982	T882-R914 CarbonylContact O-C 3.54Å; T882-R914 WeakPolarHBondContact O-CA 3.5Å; L883-R914 VanDerWaalsContact CG-NH1 3.33Å; R914-V927 WeakPolarHBondContact O-CA 3.02Å; R914-Y928 PolarHBondContact N-O 2.92Å; R914-Y928 PolarHBondContact O-N 2.85Å; R914-M978 HydrophobicContact CB-CG 4.46Å; R914-S981 PolarHBondContact NH2-O 3.46Å; R914-V982 HydrophobicContact CG-CG2 4.5Å
915	V	69.9	Low	73.2	Confident	28 Å²	28	50.6 Å²	50.6	17%	0.17	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	114.6	167.6	-174.4	0	0	0	0	108.3	T882 R925 Q926 V927	T882-V915 VanDerWaalsContact CB-O 3.28Å; T882-V915 WeakPolarHBondContact CB-O 3.31Å; T882-V915 HydrophobicContact CG2-CB 4.42Å; T882-V915 WeakPolarHBondContact CG2-O 3.17Å; T882-V915 PolarHBondContact O-N 2.79Å; V915-R925 HydrophobicContact CG1-CB 4.25Å; V915-Q926 WeakPolarHBondContact CA-O 3.48Å; V915-V927 HydrophobicContact CG2-CG2 4.41Å
916	Y	67.6	Low	72.8	Confident	81 Å²	81	50 Å²	50	32%	0.318	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	173.2	-177.7	-160.6	-108.9	0	0	0	112.1	R925 Q926	Y916-R925 CarbonylContact O-C 3.55Å; Y916-R925 VanDerWaalsContact O-CA 3.24Å; Y916-R925 WeakPolarHBondContact O-CA 3.39Å; Y916-Q926 PolarHBondContact N-O 3.17Å; Y916-Q926 PolarHBondContact O-N 3.24Å
917	W	65.3	Low	72.6	Confident	76 Å²	76	52.2 Å²	52.2	29%	0.288	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	137.9	177	-66.2	101.7	0	0	0	111.1	M49 R925 Y928	M49-W917 HydrophobicContact CE-CH2 4.18Å; M49-W917 HydrophobicContact CE-CZ2 3.29Å; M49-W917 HydrophobicContact SD-CH2 4.04Å; M49-W917 HydrophobicContact SD-CZ2 3.24Å; M49-W917 WeakPolarHBondContact SD-CZ2 3.05Å; W917-R925 HydrophobicContact CD2-CG 4.43Å; W917-R925 HydrophobicContact CE3-CG 4.17Å; W917-R925 HydrophobicContact CH2-CG 4.33Å; W917-R925 HydrophobicContact CZ3-CG 4.14Å; W917-Y928 PolarHBondContact O-OH 2.84Å
918	S	67.8	Low	72.2	Confident	14 Å²	14	51.5 Å²	51.5	10%	0.098	26%	0.257	C	S	.	.			trans	-68.1	133.4	175	-180	0	0	0	0	110.3	S920 H921 R924 Q926	S918-S920 VanDerWaalsContact C-N 3.31Å; S918-S920 PolarHBondContact OG-N 3.41Å; S918-S920 PolarHBondContact OG-OG 2.97Å; S918-H921 WeakPolarHBondContact CB-O 3.3Å; S918-H921 PolarHBondContact OG-N 2.73Å; S918-H921 VanDerWaalsContact OG-N 3.08Å; S918-R924 WeakPolarHBondContact CB-O 3.5Å; S918-R924 PolarHBondContact N-O 3.02Å; S918-Q926 VanDerWaalsContact CA-CD 3.48Å; S918-Q926 VanDerWaalsContact CB-OE1 3.27Å; S918-Q926 PolarHBondContact OG-OE1 3.43Å
919	I	64.8	Low	72.2	Confident	33 Å²	33	53.8 Å²	53.8	17%	0.169	27%	0.266	C	S	.	.	S	Bend	trans	-70.5	-28.5	172.6	53.9	171.2	0	0	0	112	Y928 F955 E972 I975	I919-Y928 PolarHBondContact N-OH 2.78Å; I919-F955 HydrophobicContact CD1-CE2 4.29Å; I919-F955 HydrophobicContact CD1-CZ 3.98Å; I919-E972 VanDerWaalsContact CA-OE2 3.3Å; I919-E972 WeakPolarHBondContact CA-OE2 3.48Å; I919-E972 WeakPolarHBondContact CB-OE2 3.37Å; I919-E972 WeakPolarHBondContact CG2-OE2 3.44Å; I919-I975 HydrophobicContact CD1-CD1 4.36Å; I919-I975 HydrophobicContact CG2-CG1 4.24Å
920	S	68	Low	72.1	Confident	57 Å²	57	52.8 Å²	52.8	40%	0.399	26%	0.255	S	S	.	.	S	Bend	trans	-98.6	-26.1	-176.1	48.3	0	0	0	0	113.5	S918	S918-S920 VanDerWaalsContact C-N 3.31Å; S918-S920 PolarHBondContact OG-N 3.41Å; S918-S920 PolarHBondContact OG-OG 2.97Å
921	H	64	Low	72.1	Confident	90 Å²	90	55.4 Å²	55.4	42%	0.417	27%	0.267	S	S	.	.	S	Bend	trans	-125.1	102	-172.6	-61	86.4	0	0	0	111.9	S918 K923 R924	S918-H921 WeakPolarHBondContact CB-O 3.3Å; S918-H921 PolarHBondContact OG-N 2.73Å; S918-H921 VanDerWaalsContact OG-N 3.08Å; H921-K923 PolarHBondContact O-N 3.11Å; H921-R924 HydrophobicContact CB-CB 3.95Å; H921-R924 HydrophobicContact CB-CG 4.08Å; H921-R924 PolarHBondContact O-N 3.22Å; H921-R924 VanDerWaalsContact O-N 3.13Å
922	P	57.2	Low	72.2	Confident	115 Å²	115	54.3 Å²	54.3	75%	0.747	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	141.1	175.2	-24.5	32.6	0	0	0	111.6	R924	P922-R924 PolarHBondContact O-N 3.27Å; P922-R924 VanDerWaalsContact O-N 3.16Å
923	K	54.6	Low	72.4	Confident	159 Å²	159	56.6 Å²	56.6	69%	0.691	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	7.1	-179.2	-49.8	178.7	-180	-179.3	0	115.7	H921	H921-K923 PolarHBondContact O-N 3.11Å
924	R	59.9	Low	72.8	Confident	170 Å²	170	59.4 Å²	59.4	64%	0.642	29%	0.286	S	S	*	.			trans	-103.4	148.3	170.2	-66.6	-166	173.7	-167.1	-2	111.2	S918 H921 P922	S918-R924 WeakPolarHBondContact CB-O 3.5Å; S918-R924 PolarHBondContact N-O 3.02Å; H921-R924 HydrophobicContact CB-CB 3.95Å; H921-R924 HydrophobicContact CB-CG 4.08Å; H921-R924 PolarHBondContact O-N 3.22Å; H921-R924 VanDerWaalsContact O-N 3.13Å; P922-R924 PolarHBondContact O-N 3.27Å; P922-R924 VanDerWaalsContact O-N 3.16Å
925	R	65	Low	73.4	Confident	71 Å²	71	60.8 Å²	60.8	27%	0.268	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	149.2	168.3	-68	-176.3	173.1	-168.2	-1.2	109.6	C48 V915 Y916 W917	C48-R925 PolarHBondContact O-NH2 3.41Å; V915-R925 HydrophobicContact CG1-CB 4.25Å; Y916-R925 CarbonylContact O-C 3.55Å; Y916-R925 VanDerWaalsContact O-CA 3.24Å; Y916-R925 WeakPolarHBondContact O-CA 3.39Å; W917-R925 HydrophobicContact CD2-CG 4.43Å; W917-R925 HydrophobicContact CE3-CG 4.17Å; W917-R925 HydrophobicContact CH2-CG 4.33Å; W917-R925 HydrophobicContact CZ3-CG 4.14Å
926	Q	69.4	Low	74.3	Confident	27 Å²	27	65.8 Å²	65.8	13%	0.126	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	164.9	177.6	69.5	-168.9	16.5	0	0	111.1	V915 Y916 S918 Y928 V945	V915-Q926 WeakPolarHBondContact CA-O 3.48Å; Y916-Q926 PolarHBondContact N-O 3.17Å; Y916-Q926 PolarHBondContact O-N 3.24Å; S918-Q926 VanDerWaalsContact CA-CD 3.48Å; S918-Q926 VanDerWaalsContact CB-OE1 3.27Å; S918-Q926 PolarHBondContact OG-OE1 3.43Å; Q926-Y928 HydrophobicContact CG-CD2 4.14Å; Q926-Y928 HydrophobicContact CG-CE1 4.3Å; Q926-Y928 HydrophobicContact CG-CE2 3.43Å; Q926-Y928 VanDerWaalsContact CG-CE2 3.43Å; Q926-Y928 PolarHBondContact NE2-OH 2.93Å; Q926-V945 HydrophobicContact CG-CG2 4.07Å
927	V	76.9	Confident	75.2	Confident	63 Å²	63	63.3 Å²	63.3	38%	0.382	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	127.7	179.6	-174.4	0	0	0	0	109.3	R914 V915	R914-V927 WeakPolarHBondContact O-CA 3.02Å; V915-V927 HydrophobicContact CG2-CG2 4.41Å
928	Y	78.1	Confident	76.2	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.016	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	123.1	174.7	-62.8	-93.1	0	0	0	109	S913 R914 W917 I919 Q926 V943 V945 M978	S913-Y928 CarbonylContact C-O 3.59Å; S913-Y928 VanDerWaalsContact CA-O 3.23Å; S913-Y928 WeakPolarHBondContact CA-O 3.21Å; R914-Y928 PolarHBondContact N-O 2.92Å; R914-Y928 PolarHBondContact O-N 2.85Å; W917-Y928 PolarHBondContact O-OH 2.84Å; I919-Y928 PolarHBondContact N-OH 2.78Å; Q926-Y928 HydrophobicContact CG-CD2 4.14Å; Q926-Y928 HydrophobicContact CG-CE1 4.3Å; Q926-Y928 HydrophobicContact CG-CE2 3.43Å; Q926-Y928 VanDerWaalsContact CG-CE2 3.43Å; Q926-Y928 PolarHBondContact NE2-OH 2.93Å; Y928-V943 HydrophobicContact CD1-CG1 4.03Å; Y928-V945 HydrophobicContact CD1-CB 4.06Å; Y928-V945 HydrophobicContact CD1-CG2 4.41Å; Y928-V945 HydrophobicContact CE1-CB 4.26Å; Y928-V945 HydrophobicContact CE1-CG2 4.37Å; Y928-M978 WeakPolarHBondContact CB-SD 2.99Å; Y928-M978 HydrophobicContact CD1-CE 4.28Å; Y928-M978 HydrophobicContact CD1-SD 3.74Å; Y928-M978 HydrophobicContact CD2-SD 3.83Å; Y928-M978 HydrophobicContact CE1-SD 4.41Å; Y928-M978 HydrophobicContact CE2-SD 4.48Å; Y928-M978 HydrophobicContact CG-CE 4.4Å; Y928-M978 HydrophobicContact CG-SD 3.38Å
929	H	85.4	Confident	76.9	Confident	75 Å²	75	63.2 Å²	63.2	35%	0.347	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	120.2	174.7	-62.8	-90.2	0	0	0	108.2	S913 V943 T944	S913-H929 PolarHBondContact OG-CE1 2.82Å; S913-H929 PolarHBondContact OG-ND1 3.33Å; H929-V943 CarbonylContact O-C 3.53Å; H929-V943 VanDerWaalsContact O-CA 3.25Å; H929-V943 WeakPolarHBondContact O-CA 3.45Å; H929-T944 PolarHBondContact N-O 3.04Å; H929-T944 PolarHBondContact O-N 3.02Å
930	C	85.4	Confident	78	Confident	5 Å²	5	62.8 Å²	62.8	3%	0.034	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.4	-178.8	-51	0	0	0	0	108.7	S911 V912 S942 V982	S911-C930 WeakPolarHBondContact CA-O 3.43Å; V912-C930 HydrophobicContact CG2-CB 3.76Å; V912-C930 PolarHBondContact N-O 3.13Å; V912-C930 PolarHBondContact O-N 3.35Å; C930-S942 CarbonylContact C-O 3.46Å; C930-S942 VanDerWaalsContact CA-O 3.3Å; C930-S942 WeakPolarHBondContact CA-O 3.42Å; C930-V982 HydrophobicContact CB-CG2 4.28Å
931	H	86.9	Confident	78.8	Confident	58 Å²	58	60.8 Å²	60.8	27%	0.269	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	152.9	-178.5	-165.4	51.8	0	0	0	111.9	Y910 D933 S942	Y910-H931 CarbonylContact O-C 3.43Å; Y910-H931 VanDerWaalsContact O-CA 3.25Å; Y910-H931 WeakPolarHBondContact O-CA 3.26Å; Y910-H931 PolarHBondContact O-ND1 3.2Å; H931-D933 IonicContact CD2-OD1 3.7Å; H931-D933 PolarHBondContact CD2-OD1 3.46Å; H931-D933 IonicContact CD2-OD2 2.9Å; H931-D933 PolarHBondContact CD2-OD2 3.43Å; H931-D933 VanDerWaalsContact CD2-OD2 3.22Å; H931-D933 IonicContact NE2-OD1 3.78Å; H931-D933 PolarHBondContact NE2-OD1 3.25Å; H931-S942 WeakPolarHBondContact CB-OG 3.3Å; H931-S942 PolarHBondContact N-O 3.34Å; H931-S942 PolarHBondContact O-N 3.12Å
932	I	87.6	Confident	79.8	Confident	4 Å²	4	56.9 Å²	56.9	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	115.1	172.8	-55.9	179.2	0	0	0	108.3	G909 Y910 P939 M940 F941 L986	G909-I932 PolarHBondContact N-O 3.29Å; Y910-I932 HydrophobicContact CD1-CD1 3.97Å; Y910-I932 HydrophobicContact CD1-CG1 4.1Å; Y910-I932 HydrophobicContact CG-CD1 4.15Å; Y910-I932 HydrophobicContact CG-CG1 4.49Å; Y910-I932 PolarHBondContact O-N 3.42Å; I932-P939 HydrophobicContact CG2-CB 4.33Å; I932-M940 WeakPolarHBondContact CA-O 3.07Å; I932-F941 HydrophobicContact CD1-CD1 4.02Å; I932-F941 HydrophobicContact CD1-CE1 3.81Å; I932-F941 HydrophobicContact CG1-CD1 3.85Å; I932-F941 HydrophobicContact CG1-CE1 4.1Å; I932-F941 HydrophobicContact CG2-CE1 4.46Å; I932-L986 HydrophobicContact CD1-CD1 3.69Å
933	D	89.1	Confident	81.1	Confident	48 Å²	48	51.5 Å²	51.5	26%	0.257	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	158.7	176.9	-66.4	-65.7	0	0	0	111	H931 V935 M940	H931-D933 IonicContact CD2-OD1 3.7Å; H931-D933 PolarHBondContact CD2-OD1 3.46Å; H931-D933 IonicContact CD2-OD2 2.9Å; H931-D933 PolarHBondContact CD2-OD2 3.43Å; H931-D933 VanDerWaalsContact CD2-OD2 3.22Å; H931-D933 IonicContact NE2-OD1 3.78Å; H931-D933 PolarHBondContact NE2-OD1 3.25Å; D933-V935 HydrophobicContact CB-CG2 4.38Å; D933-M940 HydrophobicContact CB-CB 4.3Å; D933-M940 PolarHBondContact N-O 3.5Å; D933-M940 PolarHBondContact O-N 3.48Å
934	D	90.8	Very high	82.5	Confident	61 Å²	61	45.3 Å²	45.3	33%	0.326	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	118.3	165.1	-172	-18.1	0	0	0	108.7	Q895 F899 V908 G937	Q895-D934 PolarHBondContact NE2-OD2 3.47Å; F899-D934 HydrophobicContact CE1-CB 4.32Å; F899-D934 HydrophobicContact CZ-CB 3.86Å; F899-D934 VanDerWaalsContact CZ-CG 3.46Å; V908-D934 HydrophobicContact CG1-CB 3.89Å; V908-D934 HydrophobicContact CG2-CB 4.02Å; D934-G937 WeakPolarHBondContact OD1-CA 3.28Å; D934-G937 PolarHBondContact OD1-N 3.33Å
935	V	88.8	Confident	83.6	Confident	38 Å²	38	37.2 Å²	37.2	23%	0.23	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	113.7	174.1	-178	0	0	0	0	108.5	D933 G937 Q938 M940	D933-V935 HydrophobicContact CB-CG2 4.38Å; V935-G937 VanDerWaalsContact C-N 3.27Å; V935-G937 PolarHBondContact O-N 2.95Å; V935-Q938 PolarHBondContact N-O 3.05Å; V935-Q938 PolarHBondContact O-N 2.76Å; V935-M940 HydrophobicContact CB-CB 4.21Å; V935-M940 HydrophobicContact CB-CE 3.74Å; V935-M940 HydrophobicContact CG1-CE 3.75Å; V935-M940 HydrophobicContact CG2-CB 3.73Å; V935-M940 HydrophobicContact CG2-CE 3.57Å; V935-M940 HydrophobicContact CG2-CG 4.32Å; V935-M940 HydrophobicContact CG2-SD 3.72Å
936	D	88.7	Confident	83.9	Confident	133 Å²	133	40.5 Å²	40.5	71%	0.711	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	35.9	-178.3	-47.7	-44.5	0	0	0	113.2	Q938 R958	D936-Q938 VanDerWaalsContact C-N 3.29Å; D936-Q938 PolarHBondContact O-N 2.92Å; D936-R958 IonicContact OD2-CZ 2.9Å; D936-R958 IonicContact OD2-NH1 3.2Å; D936-R958 IonicContact OD2-NH2 3.9Å; D936-R958 PolarHBondContact OD2-NH2 3.1Å
937	G	85.8	Confident	83.6	Confident	29 Å²	29	40.7 Å²	40.7	30%	0.299	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	18.6	179.9	0	0	0	0	0	113.9	N898 F899 D934 V935	N898-G937 WeakPolarHBondContact CB-O 3.2Å; N898-G937 PolarHBondContact ND2-O 3.21Å; F899-G937 WeakPolarHBondContact CE2-O 3.46Å; D934-G937 WeakPolarHBondContact OD1-CA 3.28Å; D934-G937 PolarHBondContact OD1-N 3.33Å; V935-G937 VanDerWaalsContact C-N 3.27Å; V935-G937 PolarHBondContact O-N 2.95Å
938	Q	85.8	Confident	82.7	Confident	81 Å²	81	43.1 Å²	43.1	38%	0.379	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.4	178.3	-65.6	-66.5	-26.2	0	0	111	N898 V935 D936 M940	N898-Q938 PolarHBondContact ND2-NE2 3.45Å; V935-Q938 PolarHBondContact N-O 3.05Å; V935-Q938 PolarHBondContact O-N 2.76Å; D936-Q938 VanDerWaalsContact C-N 3.29Å; D936-Q938 PolarHBondContact O-N 2.92Å; Q938-M940 PolarHBondContact O-N 2.93Å
939	P	84.1	Confident	81.8	Confident	6 Å²	6	46.9 Å²	46.9	4%	0.039	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	123.7	178.9	26.7	-33.2	0	0	0	111.8	F899 Y906 I932 F941	F899-P939 HydrophobicContact CD1-CB 3.65Å; F899-P939 HydrophobicContact CD1-CG 4.22Å; F899-P939 HydrophobicContact CE1-CB 3.64Å; F899-P939 HydrophobicContact CE1-CG 4.38Å; Y906-P939 HydrophobicContact CD2-CB 4.42Å; Y906-P939 HydrophobicContact CD2-CG 4.04Å; I932-P939 HydrophobicContact CG2-CB 4.33Å; P939-F941 HydrophobicContact CB-CE2 3.94Å; P939-F941 HydrophobicContact CB-CZ 3.86Å; P939-F941 HydrophobicContact CG-CE2 4.11Å; P939-F941 HydrophobicContact CG-CZ 4.19Å
940	M	87.7	Confident	80.5	Confident	24 Å²	24	47.4 Å²	47.4	12%	0.118	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	113	169.3	-176.2	173	-69.5	0	0	110.2	I932 D933 V935 Q938 Q956 R958	I932-M940 WeakPolarHBondContact CA-O 3.07Å; D933-M940 HydrophobicContact CB-CB 4.3Å; D933-M940 PolarHBondContact N-O 3.5Å; D933-M940 PolarHBondContact O-N 3.48Å; V935-M940 HydrophobicContact CB-CB 4.21Å; V935-M940 HydrophobicContact CB-CE 3.74Å; V935-M940 HydrophobicContact CG1-CE 3.75Å; V935-M940 HydrophobicContact CG2-CB 3.73Å; V935-M940 HydrophobicContact CG2-CE 3.57Å; V935-M940 HydrophobicContact CG2-CG 4.32Å; V935-M940 HydrophobicContact CG2-SD 3.72Å; Q938-M940 PolarHBondContact O-N 2.93Å; M940-Q956 HydrophobicContact CG-CB 4.49Å; M940-Q956 HydrophobicContact SD-CB 4.35Å; M940-Q956 HydrophobicContact SD-CG 4.46Å; M940-Q956 PolarHBondContact SD-NE2 2.99Å; M940-R958 HydrophobicContact CE-CG 4.34Å
941	F	84.5	Confident	79.6	Confident	16 Å²	16	51.9 Å²	51.9	7%	0.07	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	123.1	175.5	-54.2	-85.8	0	0	0	108.9	Y906 I932 P939 Q956 S957 L960	Y906-F941 AromaticContact CD1-CE1 3.88Å; Y906-F941 HydrophobicContact CD1-CE1 3.88Å; Y906-F941 AromaticContact CD1-CZ 3.81Å; Y906-F941 HydrophobicContact CD1-CZ 3.81Å; Y906-F941 HydrophobicContact CD2-CZ 4.13Å; Y906-F941 HydrophobicContact CE1-CE1 4.4Å; Y906-F941 HydrophobicContact CE1-CZ 4.13Å; Y906-F941 HydrophobicContact CE2-CZ 4.43Å; Y906-F941 HydrophobicContact CG-CE1 4.16Å; Y906-F941 AromaticContact CG-CZ 3.81Å; Y906-F941 HydrophobicContact CG-CZ 3.81Å; I932-F941 HydrophobicContact CD1-CD1 4.02Å; I932-F941 HydrophobicContact CD1-CE1 3.81Å; I932-F941 HydrophobicContact CG1-CD1 3.85Å; I932-F941 HydrophobicContact CG1-CE1 4.1Å; I932-F941 HydrophobicContact CG2-CE1 4.46Å; P939-F941 HydrophobicContact CB-CE2 3.94Å; P939-F941 HydrophobicContact CB-CZ 3.86Å; P939-F941 HydrophobicContact CG-CE2 4.11Å; P939-F941 HydrophobicContact CG-CZ 4.19Å; F941-Q956 CarbonylContact O-C 3.56Å; F941-Q956 VanDerWaalsContact O-CA 3.29Å; F941-Q956 WeakPolarHBondContact O-CA 3.38Å; F941-S957 WeakPolarHBondContact CD2-O 3.33Å; F941-S957 PolarHBondContact N-O 2.98Å; F941-S957 PolarHBondContact O-N 3.46Å; F941-L960 HydrophobicContact CD1-CD1 4.02Å; F941-L960 HydrophobicContact CD1-CG 4.48Å; F941-L960 HydrophobicContact CD2-CD1 4.18Å; F941-L960 HydrophobicContact CD2-CG 3.93Å; F941-L960 HydrophobicContact CE1-CD1 3.55Å; F941-L960 HydrophobicContact CE1-CG 4.35Å; F941-L960 HydrophobicContact CE2-CD1 3.74Å; F941-L960 HydrophobicContact CE2-CG 3.79Å; F941-L960 HydrophobicContact CG-CD1 4.31Å; F941-L960 HydrophobicContact CG-CD2 4.49Å; F941-L960 HydrophobicContact CG-CG 4.29Å; F941-L960 HydrophobicContact CZ-CD1 3.41Å; F941-L960 VanDerWaalsContact CZ-CD1 3.41Å; F941-L960 HydrophobicContact CZ-CG 4.01Å
942	S	84.7	Confident	78.7	Confident	7 Å²	7	53 Å²	53	5%	0.049	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	142.2	176.5	69	0	0	0	0	112.2	C930 H931 F955	C930-S942 CarbonylContact C-O 3.46Å; C930-S942 VanDerWaalsContact CA-O 3.3Å; C930-S942 WeakPolarHBondContact CA-O 3.42Å; H931-S942 WeakPolarHBondContact CB-OG 3.3Å; H931-S942 PolarHBondContact N-O 3.34Å; H931-S942 PolarHBondContact O-N 3.12Å; S942-F955 CarbonylContact C-O 3.58Å; S942-F955 VanDerWaalsContact CA-O 3.27Å; S942-F955 WeakPolarHBondContact CA-O 3.45Å
943	V	84.3	Confident	78.2	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.018	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	123.5	174.5	175.4	0	0	0	0	108.1	Y928 H929 K954 F955 M978 L979	Y928-V943 HydrophobicContact CD1-CG1 4.03Å; H929-V943 CarbonylContact O-C 3.53Å; H929-V943 VanDerWaalsContact O-CA 3.25Å; H929-V943 WeakPolarHBondContact O-CA 3.45Å; V943-K954 CarbonylContact O-C 3.57Å; V943-K954 WeakPolarHBondContact O-CA 3.13Å; V943-F955 HydrophobicContact CB-CB 4.4Å; V943-F955 PolarHBondContact N-O 3.27Å; V943-F955 PolarHBondContact O-N 3.19Å; V943-M978 HydrophobicContact CB-CE 3.98Å; V943-M978 HydrophobicContact CG1-CE 3.27Å; V943-M978 HydrophobicContact CG1-SD 4.39Å; V943-M978 HydrophobicContact CG2-CE 3.47Å; V943-M978 VanDerWaalsContact CG2-CE 3.47Å; V943-L979 HydrophobicContact CG2-CD2 3.84Å
944	T	85	Confident	77.9	Confident	29 Å²	29	60 Å²	60	18%	0.178	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	136	177	-47.7	0	0	0	0	110.3	H929 D952 Q953	H929-T944 PolarHBondContact N-O 3.04Å; H929-T944 PolarHBondContact O-N 3.02Å; T944-D952 HydrophobicContact CG2-CB 3.98Å; T944-Q953 WeakPolarHBondContact CA-O 3.19Å
945	V	81	Confident	77.4	Confident	0 Å²	0	59 Å²	59	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.7	171.7	61.7	0	0	0	0	110.5	Q926 Y928 Q953 F955	Q926-V945 HydrophobicContact CG-CG2 4.07Å; Y928-V945 HydrophobicContact CD1-CB 4.06Å; Y928-V945 HydrophobicContact CD1-CG2 4.41Å; Y928-V945 HydrophobicContact CE1-CB 4.26Å; Y928-V945 HydrophobicContact CE1-CG2 4.37Å; V945-Q953 HydrophobicContact CG1-CB 3.74Å; V945-Q953 PolarHBondContact N-O 2.94Å; V945-Q953 PolarHBondContact O-N 2.77Å; V945-F955 HydrophobicContact CG1-CE2 4.28Å
946	K	71.4	Confident	77	Confident	139 Å²	139	61.1 Å²	61.1	60%	0.604	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	115.8	173.1	-53.5	-152.4	168.7	-178.5	0	109.2	D952	K946-D952 VanDerWaalsContact CG-OD1 3.25Å; K946-D952 WeakPolarHBondContact CG-OD1 3.46Å
947	N	63.4	Low	76.1	Confident	31 Å²	31	56 Å²	56	17%	0.166	33%	0.33	C	S	.	.			trans	-90.4	162.3	173.8	-73	-54.6	0	0	0	111.1	A949 A950 Q953	N947-A949 PolarHBondContact O-N 3.21Å; N947-A949 VanDerWaalsContact O-N 3.12Å; N947-A950 PolarHBondContact O-N 3.34Å; N947-Q953 PolarHBondContact ND2-OE1 2.84Å
948	A	58.8	Low	75.4	Confident	115 Å²	115	61.3 Å²	61.3	95%	0.95	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.6	177.3	0	0	0	0	0	113.5	A950	A948-A950 PolarHBondContact O-N 3.01Å; A948-A950 VanDerWaalsContact O-N 3.16Å
949	A	58.9	Low	73.9	Confident	82 Å²	82	60.5 Å²	60.5	68%	0.678	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	8.3	174.7	0	0	0	0	0	113.9	N947 V951	N947-A949 PolarHBondContact O-N 3.21Å; N947-A949 VanDerWaalsContact O-N 3.12Å; A949-V951 PolarHBondContact O-N 3.45Å
950	A	57.3	Low	72.4	Confident	87 Å²	87	61 Å²	61	72%	0.719	35%	0.346	S	S	*	.	S	Bend	trans	58.9	3.3	-177.8	0	0	0	0	0	116.1	N947 A948	N947-A950 PolarHBondContact O-N 3.34Å; A948-A950 PolarHBondContact O-N 3.01Å; A948-A950 VanDerWaalsContact O-N 3.16Å
951	V	66.8	Low	70.4	Confident	99 Å²	99	64.1 Å²	64.1	60%	0.6	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-86.9	117.8	171	-176.1	0	0	0	0	109.4	A949 Q953	A949-V951 PolarHBondContact O-N 3.45Å; V951-Q953 PolarHBondContact O-N 2.93Å
952	D	68.7	Low	68.1	Low	81 Å²	81	66.5 Å²	66.5	43%	0.433	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	118.9	174.8	-75.8	-2.7	0	0	0	109.6	T944 K946	T944-D952 HydrophobicContact CG2-CB 3.98Å; K946-D952 VanDerWaalsContact CG-OD1 3.25Å; K946-D952 WeakPolarHBondContact CG-OD1 3.46Å
953	Q	77.4	Confident	65.8	Low	83 Å²	83	71.4 Å²	71.4	39%	0.388	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	116.6	169.7	-73.1	179	-32.8	0	0	108.5	T944 V945 N947 V951 F955	T944-Q953 WeakPolarHBondContact CA-O 3.19Å; V945-Q953 HydrophobicContact CG1-CB 3.74Å; V945-Q953 PolarHBondContact N-O 2.94Å; V945-Q953 PolarHBondContact O-N 2.77Å; N947-Q953 PolarHBondContact ND2-OE1 2.84Å; V951-Q953 PolarHBondContact O-N 2.93Å; Q953-F955 HydrophobicContact CB-CE2 4.1Å; Q953-F955 HydrophobicContact CB-CZ 4.33Å
954	K	81.9	Confident	63.2	Low	115 Å²	115	73.6 Å²	73.6	50%	0.5	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.9	179.1	-168	-178.9	-172.5	-173.4	0	110.5	V943 Q956	V943-K954 CarbonylContact O-C 3.57Å; V943-K954 WeakPolarHBondContact O-CA 3.13Å; K954-Q956 HydrophobicContact CD-CG 4.21Å; K954-Q956 VanDerWaalsContact CE-NE2 3.35Å; K954-Q956 HydrophobicContact CG-CG 4.13Å; K954-Q956 VanDerWaalsContact NZ-NE2 3.12Å
955	F	79.7	Confident	60.7	Low	40 Å²	40	82.4 Å²	82.4	18%	0.175	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129	175.3	-53.8	-89.2	0	0	0	108.2	I919 S942 V943 V945 Q953 F968 T971 I975	I919-F955 HydrophobicContact CD1-CE2 4.29Å; I919-F955 HydrophobicContact CD1-CZ 3.98Å; S942-F955 CarbonylContact C-O 3.58Å; S942-F955 VanDerWaalsContact CA-O 3.27Å; S942-F955 WeakPolarHBondContact CA-O 3.45Å; V943-F955 HydrophobicContact CB-CB 4.4Å; V943-F955 PolarHBondContact N-O 3.27Å; V943-F955 PolarHBondContact O-N 3.19Å; V945-F955 HydrophobicContact CG1-CE2 4.28Å; Q953-F955 HydrophobicContact CB-CE2 4.1Å; Q953-F955 HydrophobicContact CB-CZ 4.33Å; F955-F968 HydrophobicContact CB-CZ 4.15Å; F955-T971 HydrophobicContact CD1-CG2 4.05Å; F955-T971 HydrophobicContact CE1-CG2 4.14Å; F955-I975 HydrophobicContact CD1-CD1 3.95Å; F955-I975 HydrophobicContact CD2-CD1 4.08Å; F955-I975 HydrophobicContact CE1-CD1 3.82Å; F955-I975 HydrophobicContact CE2-CD1 3.96Å; F955-I975 HydrophobicContact CG-CD1 4.08Å; F955-I975 HydrophobicContact CZ-CD1 3.83Å
956	Q	81	Confident	58.3	Low	84 Å²	84	85 Å²	85	39%	0.393	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	136.7	-178.4	-65	-177.8	-68.1	0	0	112.3	M940 F941 K954 F968	M940-Q956 HydrophobicContact CG-CB 4.49Å; M940-Q956 HydrophobicContact SD-CB 4.35Å; M940-Q956 HydrophobicContact SD-CG 4.46Å; M940-Q956 PolarHBondContact SD-NE2 2.99Å; F941-Q956 CarbonylContact O-C 3.56Å; F941-Q956 VanDerWaalsContact O-CA 3.29Å; F941-Q956 WeakPolarHBondContact O-CA 3.38Å; K954-Q956 HydrophobicContact CD-CG 4.21Å; K954-Q956 VanDerWaalsContact CE-NE2 3.35Å; K954-Q956 HydrophobicContact CG-CG 4.13Å; K954-Q956 VanDerWaalsContact NZ-NE2 3.12Å; Q956-F968 VanDerWaalsContact C-CZ 3.47Å; Q956-F968 WeakPolarHBondContact O-CE1 3.36Å; Q956-F968 WeakPolarHBondContact O-CZ 3.18Å
957	S	70.3	Confident	56.5	Low	24 Å²	24	80.3 Å²	80.3	17%	0.168	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	144.4	176.7	-179.1	0	0	0	0	112	F941 C959	F941-S957 WeakPolarHBondContact CD2-O 3.33Å; F941-S957 PolarHBondContact N-O 2.98Å; F941-S957 PolarHBondContact O-N 3.46Å; S957-C959 PolarHBondContact OG-N 3.03Å; S957-C959 VanDerWaalsContact OG-N 3.1Å; S957-C959 PolarHBondContact OG-O 3.25Å
958	R	70.1	Confident	55.1	Low	141 Å²	141	82.4 Å²	82.4	53%	0.532	51%	0.508	S	S	.	.	S	Bend	trans	-91.8	-9.2	171.3	-68.4	-178.8	175.3	-169.7	-8.8	113.2	D936 M940	D936-R958 IonicContact OD2-CZ 2.9Å; D936-R958 IonicContact OD2-NH1 3.2Å; D936-R958 IonicContact OD2-NH2 3.9Å; D936-R958 PolarHBondContact OD2-NH2 3.1Å; M940-R958 HydrophobicContact CE-CG 4.34Å
959	C	55.4	Low	54	Low	64 Å²	64	80.5 Å²	80.5	43%	0.432	50%	0.499	S	S	.	.			trans	-136.1	132.9	-174.9	-169.6	0	0	0	0	111.6	S957 T961	S957-C959 PolarHBondContact OG-N 3.03Å; S957-C959 VanDerWaalsContact OG-N 3.1Å; S957-C959 PolarHBondContact OG-O 3.25Å; C959-T961 PolarHBondContact SG-N 3.28Å; C959-T961 PolarHBondContact SG-OG1 3.06Å
960	L	52.4	Low	52.7	Low	18 Å²	18	84.8 Å²	84.8	9%	0.094	51%	0.51	C	S	.	.			trans	-98.1	-18.9	173.1	-79.8	171.2	0	0	0	112.7	Y906 F941 G962 L979 R983	Y906-L960 HydrophobicContact CE1-CD1 4.15Å; F941-L960 HydrophobicContact CD1-CD1 4.02Å; F941-L960 HydrophobicContact CD1-CG 4.48Å; F941-L960 HydrophobicContact CD2-CD1 4.18Å; F941-L960 HydrophobicContact CD2-CG 3.93Å; F941-L960 HydrophobicContact CE1-CD1 3.55Å; F941-L960 HydrophobicContact CE1-CG 4.35Å; F941-L960 HydrophobicContact CE2-CD1 3.74Å; F941-L960 HydrophobicContact CE2-CG 3.79Å; F941-L960 HydrophobicContact CG-CD1 4.31Å; F941-L960 HydrophobicContact CG-CD2 4.49Å; F941-L960 HydrophobicContact CG-CG 4.29Å; F941-L960 HydrophobicContact CZ-CD1 3.41Å; F941-L960 VanDerWaalsContact CZ-CD1 3.41Å; F941-L960 HydrophobicContact CZ-CG 4.01Å; L960-G962 PolarHBondContact O-N 3.07Å; L960-L979 HydrophobicContact CD2-CB 4.28Å; L960-L979 HydrophobicContact CD2-CD1 4.35Å; L960-R983 HydrophobicContact CD1-CG 4.32Å; L960-R983 VanDerWaalsContact CD2-NH2 3.27Å; L960-R983 PolarHBondContact O-NH2 3.16Å
961	T	44.9	Very low	52	Low	89 Å²	89	82.4 Å²	82.4	55%	0.546	49%	0.487	S	S	.	.			trans	-78.3	110.6	-176.5	52.4	0	0	0	0	110	C959 S963	C959-T961 PolarHBondContact SG-N 3.28Å; C959-T961 PolarHBondContact SG-OG1 3.06Å; T961-S963 PolarHBondContact O-N 2.93Å
962	G	36.4	Very low	51.1	Low	65 Å²	65	82.2 Å²	82.2	67%	0.67	48%	0.479	S	S	*	.			trans	-70.9	38.9	178.1	0	0	0	0	0	114.8	L960	L960-G962 PolarHBondContact O-N 3.07Å
963	S	36.6	Very low	49.9	Very low	110 Å²	110	82.9 Å²	82.9	77%	0.769	49%	0.488	S	S	*	.	S	Bend	trans	-96.4	6.1	-175.9	55.7	0	0	0	0	114.9	T961	T961-S963 PolarHBondContact O-N 2.93Å
964	G	30.1	Very low	48.3	Very low	50 Å²	50	80 Å²	80	52%	0.515	48%	0.48	S	S	.	.	S	Bend	trans	-163.3	112.7	172.5	0	0	0	0	0	110.1	G966	G964-G966 WeakPolarHBondContact O-CA 3.37Å; G964-G966 PolarHBondContact O-N 2.92Å
965	E	32.9	Very low	46.7	Very low	213 Å²	213	74.8 Å²	74.8	100%	0.995	46%	0.458	S	S	*	.	S	Bend	trans	32	12	154.5	-58.9	-169.6	148.7	0	0	121.6
966	G	29.2	Very low	45.2	Very low	55 Å²	55	76.4 Å²	76.4	57%	0.567	47%	0.466	S	S	*	.			trans	-142.2	20.1	-160.1	0	0	0	0	0	114.6	G964 F968	G964-G966 WeakPolarHBondContact O-CA 3.37Å; G964-G966 PolarHBondContact O-N 2.92Å; G966-F968 PolarHBondContact O-N 3.1Å
967	L	33.9	Very low	43.8	Very low	41 Å²	41	77.2 Å²	77.2	22%	0.215	47%	0.468	C	S	.	.	S	Bend	trans	-73.4	37.1	173.2	-154.9	87.3	0	0	0	112.3	T971 Q976	L967-T971 PolarHBondContact O-OG1 3.01Å; L967-Q976 HydrophobicContact CD2-CB 4.01Å; L967-Q976 HydrophobicContact CD2-CG 3.68Å
968	F	34.9	Very low	42.7	Very low	74 Å²	74	76.2 Å²	76.2	33%	0.325	46%	0.461	S	S	.	.			trans	59.2	108.9	-153.7	-46.5	-88.4	0	0	0	111.4	F955 Q956 G966 L970 T971	F955-F968 HydrophobicContact CB-CZ 4.15Å; Q956-F968 VanDerWaalsContact C-CZ 3.47Å; Q956-F968 WeakPolarHBondContact O-CE1 3.36Å; Q956-F968 WeakPolarHBondContact O-CZ 3.18Å; G966-F968 PolarHBondContact O-N 3.1Å; F968-L970 PolarHBondContact O-N 2.98Å; F968-T971 HydrophobicContact CB-CG2 3.48Å; F968-T971 VanDerWaalsContact CB-CG2 3.48Å; F968-T971 WeakPolarHBondContact CB-OG1 3.26Å; F968-T971 HydrophobicContact CD2-CG2 4.01Å; F968-T971 HydrophobicContact CG-CG2 3.79Å; F968-T971 PolarHBondContact O-N 3.21Å
969	G	34.4	Very low	41.9	Very low	75 Å²	75	70.6 Å²	70.6	77%	0.773	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	12.6	176.3	0	0	0	0	0	116
970	L	33.5	Very low	41.7	Very low	173 Å²	173	71.4 Å²	71.4	91%	0.906	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.7	0.1	177	-71.2	174.1	0	0	0	115.6	F968	F968-L970 PolarHBondContact O-N 2.98Å
971	T	41.2	Very low	41.4	Very low	36 Å²	36	72.7 Å²	72.7	22%	0.221	45%	0.45	C	S	.	.			trans	-92.2	124.1	-169.8	58.8	0	0	0	0	114.4	F955 L967 F968 I975	F955-T971 HydrophobicContact CD1-CG2 4.05Å; F955-T971 HydrophobicContact CE1-CG2 4.14Å; L967-T971 PolarHBondContact O-OG1 3.01Å; F968-T971 HydrophobicContact CB-CG2 3.48Å; F968-T971 VanDerWaalsContact CB-CG2 3.48Å; F968-T971 WeakPolarHBondContact CB-OG1 3.26Å; F968-T971 HydrophobicContact CD2-CG2 4.01Å; F968-T971 HydrophobicContact CG-CG2 3.79Å; F968-T971 PolarHBondContact O-N 3.21Å; T971-I975 HydrophobicContact CG2-CD1 4.17Å
972	E	47.6	Very low	41.5	Very low	96 Å²	96	69 Å²	69	45%	0.449	43%	0.427	S	S	.	.			trans	-44.8	145.4	178.5	-61.9	-174.6	154.2	0	0	114.7	I919 G974 I975	I919-E972 VanDerWaalsContact CA-OE2 3.3Å; I919-E972 WeakPolarHBondContact CA-OE2 3.48Å; I919-E972 WeakPolarHBondContact CB-OE2 3.37Å; I919-E972 WeakPolarHBondContact CG2-OE2 3.44Å; E972-G974 PolarHBondContact O-N 3.25Å; E972-I975 PolarHBondContact O-N 2.97Å
973	P	44.5	Very low	42.1	Very low	95 Å²	95	68.1 Å²	68.1	62%	0.617	40%	0.403	S	S	*	.	H	α-helix	trans	-48.6	-18.3	174.7	-28.3	33.4	0	0	0	115.7	K977	P973-K977 WeakPolarHBondContact O-CB 3.46Å; P973-K977 VanDerWaalsContact O-CG 3.32Å; P973-K977 WeakPolarHBondContact O-CG 3.35Å; P973-K977 PolarHBondContact O-N 3.39Å
974	G	43.4	Very low	42.5	Very low	22 Å²	22	65.6 Å²	65.6	23%	0.227	39%	0.389	C	S	.	.	H	α-helix	trans	-64.9	-42.6	175.6	0	0	0	0	0	114	E972 M978	E972-G974 PolarHBondContact O-N 3.25Å; G974-M978 WeakPolarHBondContact O-CB 3.48Å; G974-M978 PolarHBondContact O-N 3.1Å
975	I	48.7	Very low	43.2	Very low	6 Å²	6	67.1 Å²	67.1	3%	0.031	39%	0.385	C	S	.	.	H	α-helix	trans	-71.7	-42.5	-177.6	-61.4	-176	0	0	0	110.3	I919 F955 T971 E972 K977 M978 L979	I919-I975 HydrophobicContact CD1-CD1 4.36Å; I919-I975 HydrophobicContact CG2-CG1 4.24Å; F955-I975 HydrophobicContact CD1-CD1 3.95Å; F955-I975 HydrophobicContact CD2-CD1 4.08Å; F955-I975 HydrophobicContact CE1-CD1 3.82Å; F955-I975 HydrophobicContact CE2-CD1 3.96Å; F955-I975 HydrophobicContact CG-CD1 4.08Å; F955-I975 HydrophobicContact CZ-CD1 3.83Å; T971-I975 HydrophobicContact CG2-CD1 4.17Å; E972-I975 PolarHBondContact O-N 2.97Å; I975-K977 PolarHBondContact O-N 3.43Å; I975-M978 HydrophobicContact CG2-CE 4.49Å; I975-M978 WeakPolarHBondContact O-CB 3.35Å; I975-M978 PolarHBondContact O-N 3.25Å; I975-L979 HydrophobicContact CG2-CD1 4.18Å; I975-L979 HydrophobicContact CG2-CG 4.47Å; I975-L979 WeakPolarHBondContact O-CG 3.27Å; I975-L979 PolarHBondContact O-N 3.18Å
976	Q	48.9	Very low	43.7	Very low	74 Å²	74	57.8 Å²	57.8	35%	0.346	34%	0.342	S	S	.	.	H	α-helix	trans	-60.7	-45.8	176.7	-177.2	167.8	-0.2	0	0	111.9	L967 M978 L979 E980	L967-Q976 HydrophobicContact CD2-CB 4.01Å; L967-Q976 HydrophobicContact CD2-CG 3.68Å; Q976-M978 VanDerWaalsContact C-N 3.29Å; Q976-M978 PolarHBondContact O-N 3.43Å; Q976-L979 PolarHBondContact O-N 3.49Å; Q976-E980 WeakPolarHBondContact O-CB 3.43Å; Q976-E980 WeakPolarHBondContact O-CG 3.16Å; Q976-E980 PolarHBondContact O-N 2.92Å
977	K	49.7	Very low	44.1	Very low	101 Å²	101	58.7 Å²	58.7	44%	0.439	33%	0.333	S	S	.	.	H	α-helix	trans	-62.1	-37.3	174.8	-77.6	-179.4	178.5	-176	0	112.5	P973 I975 E980 S981	P973-K977 WeakPolarHBondContact O-CB 3.46Å; P973-K977 VanDerWaalsContact O-CG 3.32Å; P973-K977 WeakPolarHBondContact O-CG 3.35Å; P973-K977 PolarHBondContact O-N 3.39Å; I975-K977 PolarHBondContact O-N 3.43Å; K977-E980 PolarHBondContact O-N 2.86Å; K977-S981 PolarHBondContact O-N 3.41Å
978	M	48.8	Very low	44.2	Very low	3 Å²	3	59.3 Å²	59.3	2%	0.015	34%	0.337	C	S	.	.	H	α-helix	trans	-67.2	-44.6	176.6	-176.2	-168.1	69.5	0	0	111.1	R914 Y928 V943 G974 I975 Q976 E980 S981 V982	R914-M978 HydrophobicContact CB-CG 4.46Å; Y928-M978 WeakPolarHBondContact CB-SD 2.99Å; Y928-M978 HydrophobicContact CD1-CE 4.28Å; Y928-M978 HydrophobicContact CD1-SD 3.74Å; Y928-M978 HydrophobicContact CD2-SD 3.83Å; Y928-M978 HydrophobicContact CE1-SD 4.41Å; Y928-M978 HydrophobicContact CE2-SD 4.48Å; Y928-M978 HydrophobicContact CG-CE 4.4Å; Y928-M978 HydrophobicContact CG-SD 3.38Å; V943-M978 HydrophobicContact CB-CE 3.98Å; V943-M978 HydrophobicContact CG1-CE 3.27Å; V943-M978 HydrophobicContact CG1-SD 4.39Å; V943-M978 HydrophobicContact CG2-CE 3.47Å; V943-M978 VanDerWaalsContact CG2-CE 3.47Å; G974-M978 WeakPolarHBondContact O-CB 3.48Å; G974-M978 PolarHBondContact O-N 3.1Å; I975-M978 HydrophobicContact CG2-CE 4.49Å; I975-M978 WeakPolarHBondContact O-CB 3.35Å; I975-M978 PolarHBondContact O-N 3.25Å; Q976-M978 VanDerWaalsContact C-N 3.29Å; Q976-M978 PolarHBondContact O-N 3.43Å; M978-E980 VanDerWaalsContact C-N 3.31Å; M978-E980 PolarHBondContact O-N 2.96Å; M978-S981 WeakPolarHBondContact O-CB 3.5Å; M978-S981 PolarHBondContact O-N 3.04Å; M978-S981 VanDerWaalsContact O-N 3.08Å; M978-S981 PolarHBondContact O-OG 3.2Å; M978-V982 WeakPolarHBondContact O-CG2 3.48Å; M978-V982 PolarHBondContact O-N 3.15Å
979	L	52	Low	43.9	Very low	23 Å²	23	58.9 Å²	58.9	12%	0.12	34%	0.341	C	S	.	.	H	α-helix	trans	-60.5	-40.4	173.1	-72.4	171.3	0	0	0	111.3	V943 L960 I975 Q976 S981 V982 R983	V943-L979 HydrophobicContact CG2-CD2 3.84Å; L960-L979 HydrophobicContact CD2-CB 4.28Å; L960-L979 HydrophobicContact CD2-CD1 4.35Å; I975-L979 HydrophobicContact CG2-CD1 4.18Å; I975-L979 HydrophobicContact CG2-CG 4.47Å; I975-L979 WeakPolarHBondContact O-CG 3.27Å; I975-L979 PolarHBondContact O-N 3.18Å; Q976-L979 PolarHBondContact O-N 3.49Å; L979-S981 VanDerWaalsContact C-N 3.32Å; L979-S981 PolarHBondContact O-N 3.29Å; L979-V982 WeakPolarHBondContact O-CB 3.21Å; L979-V982 PolarHBondContact O-N 3.08Å; L979-V982 VanDerWaalsContact O-N 3.11Å; L979-R983 WeakPolarHBondContact O-CG 3.25Å; L979-R983 PolarHBondContact O-N 3.17Å
980	E	51.5	Low	44	Very low	80 Å²	80	61.1 Å²	61.1	37%	0.374	33%	0.331	S	S	.	.	H	α-helix	trans	-61.3	-37.2	172	-75.5	167.3	-176.8	0	0	112.8	Q976 K977 M978 V982 R983 A984	Q976-E980 WeakPolarHBondContact O-CB 3.43Å; Q976-E980 WeakPolarHBondContact O-CG 3.16Å; Q976-E980 PolarHBondContact O-N 2.92Å; K977-E980 PolarHBondContact O-N 2.86Å; M978-E980 VanDerWaalsContact C-N 3.31Å; M978-E980 PolarHBondContact O-N 2.96Å; E980-V982 VanDerWaalsContact C-N 3.29Å; E980-V982 PolarHBondContact O-N 3.13Å; E980-R983 VanDerWaalsContact O-CB 3.31Å; E980-R983 WeakPolarHBondContact O-CB 3.25Å; E980-R983 PolarHBondContact O-N 2.68Å; E980-R983 IonicContact OE1-NH1 3.78Å; E980-A984 PolarHBondContact O-N 3.33Å
981	S	46.7	Very low	43.9	Very low	46 Å²	46	59.9 Å²	59.9	32%	0.322	32%	0.319	S	S	.	.	H	α-helix	trans	-68.9	-27.9	173.8	84.3	0	0	0	0	113	R914 K977 M978 L979	R914-S981 PolarHBondContact NH2-O 3.46Å; K977-S981 PolarHBondContact O-N 3.41Å; M978-S981 WeakPolarHBondContact O-CB 3.5Å; M978-S981 PolarHBondContact O-N 3.04Å; M978-S981 VanDerWaalsContact O-N 3.08Å; M978-S981 PolarHBondContact O-OG 3.2Å; L979-S981 VanDerWaalsContact C-N 3.32Å; L979-S981 PolarHBondContact O-N 3.29Å
982	V	46.3	Very low	43.5	Very low	11 Å²	11	61.5 Å²	61.5	7%	0.067	33%	0.325	C	S	.	.	H	α-helix	trans	-73	-39.4	170.4	177.9	0	0	0	0	109.8	Y910 R914 C930 M978 L979 E980 A984 L985 L986	Y910-V982 HydrophobicContact CE1-CG1 3.72Å; R914-V982 HydrophobicContact CG-CG2 4.5Å; C930-V982 HydrophobicContact CB-CG2 4.28Å; M978-V982 WeakPolarHBondContact O-CG2 3.48Å; M978-V982 PolarHBondContact O-N 3.15Å; L979-V982 WeakPolarHBondContact O-CB 3.21Å; L979-V982 PolarHBondContact O-N 3.08Å; L979-V982 VanDerWaalsContact O-N 3.11Å; E980-V982 VanDerWaalsContact C-N 3.29Å; E980-V982 PolarHBondContact O-N 3.13Å; V982-A984 VanDerWaalsContact C-N 3.31Å; V982-A984 PolarHBondContact O-N 3.49Å; V982-L985 PolarHBondContact O-N 3.3Å; V982-L986 HydrophobicContact CG1-CD1 4.41Å; V982-L986 PolarHBondContact O-N 3.48Å
983	R	49	Very low	42.9	Very low	46 Å²	46	61.5 Å²	61.5	17%	0.174	33%	0.329	C	S	.	.	H	α-helix	trans	-56.7	-40.7	173.8	-66.8	175.7	-167.6	163.3	1.1	112.7	F904 L960 L979 E980 L985 L986	F904-R983 HydrophobicContact CD1-CB 4.25Å; F904-R983 WeakPolarHBondContact CD1-O 3.3Å; F904-R983 HydrophobicContact CE1-CB 3.85Å; F904-R983 WeakPolarHBondContact CE1-O 3.38Å; F904-R983 HydrophobicContact CZ-CB 4.26Å; L960-R983 HydrophobicContact CD1-CG 4.32Å; L960-R983 VanDerWaalsContact CD2-NH2 3.27Å; L960-R983 PolarHBondContact O-NH2 3.16Å; L979-R983 WeakPolarHBondContact O-CG 3.25Å; L979-R983 PolarHBondContact O-N 3.17Å; E980-R983 VanDerWaalsContact O-CB 3.31Å; E980-R983 WeakPolarHBondContact O-CB 3.25Å; E980-R983 PolarHBondContact O-N 2.68Å; E980-R983 IonicContact OE1-NH1 3.78Å; R983-L985 PolarHBondContact O-N 2.76Å; R983-L985 VanDerWaalsContact O-N 3.09Å; R983-L986 PolarHBondContact O-N 2.75Å
984	A	45.2	Very low	42.5	Very low	58 Å²	58	58.6 Å²	58.6	48%	0.479	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-16	-178	0	0	0	0	0	114.4	E980 V982 L987	E980-A984 PolarHBondContact O-N 3.33Å; V982-A984 VanDerWaalsContact C-N 3.31Å; V982-A984 PolarHBondContact O-N 3.49Å; A984-L987 WeakPolarHBondContact O-CD1 3.22Å
985	L	45.9	Very low	42	Very low	81 Å²	81	59.5 Å²	59.5	42%	0.424	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-15.8	-176.9	-75.7	148	0	0	0	114	L883 F885 V982 R983 L987	L883-L985 HydrophobicContact CD2-CD1 3.14Å; L883-L985 HydrophobicContact CD2-CD2 4.17Å; L883-L985 HydrophobicContact CD2-CG 4.21Å; F885-L985 HydrophobicContact CZ-CB 4.4Å; F885-L985 HydrophobicContact CZ-CD2 4.39Å; V982-L985 PolarHBondContact O-N 3.3Å; R983-L985 PolarHBondContact O-N 2.76Å; R983-L985 VanDerWaalsContact O-N 3.09Å; L985-L987 PolarHBondContact O-N 3.19Å
986	L	43.3	Very low	41.3	Very low	17 Å²	17	61 Å²	61	9%	0.089	33%	0.328	C	S	.	.	S	Bend	trans	-78.6	18.9	162.6	-68.3	173.8	0	0	0	111.8	V905 Y906 P907 Y910 I932 V982 R983 L988	V905-L986 WeakPolarHBondContact O-CB 3.35Å; Y906-L986 HydrophobicContact CD1-CD1 4.37Å; P907-L986 VanDerWaalsContact CD-CD2 3.47Å; P907-L986 HydrophobicContact CG-CD2 4.01Å; Y910-L986 HydrophobicContact CD2-CD2 3.71Å; Y910-L986 HydrophobicContact CE2-CD2 3.62Å; Y910-L986 HydrophobicContact CE2-CG 4.32Å; Y910-L986 HydrophobicContact CG-CD2 4.33Å; I932-L986 HydrophobicContact CD1-CD1 3.69Å; V982-L986 HydrophobicContact CG1-CD1 4.41Å; V982-L986 PolarHBondContact O-N 3.48Å; R983-L986 PolarHBondContact O-N 2.75Å; L986-L988 PolarHBondContact O-N 3.29Å
987	L	37.1	Very low	40.7	Very low	75 Å²	75	59.3 Å²	59.3	39%	0.393	33%	0.326	S	S	.	.			trans	-59.8	127.6	174.1	-120.9	96	0	0	0	109.2	A984 L985 K991	A984-L987 WeakPolarHBondContact O-CD1 3.22Å; L985-L987 PolarHBondContact O-N 3.19Å; L987-K991 HydrophobicContact CD2-CD 4.03Å; L987-K991 HydrophobicContact CD2-CG 4.29Å
988	L	34.8	Very low	40	Very low	54 Å²	54	60.5 Å²	60.5	28%	0.283	33%	0.333	S	S	.	.			trans	-46	155.2	171.9	-85.8	120.3	0	0	0	112.9	D903 V905 L986 H990	D903-L988 VanDerWaalsContact C-CD1 3.45Å; D903-L988 WeakPolarHBondContact O-CD1 3.4Å; V905-L988 HydrophobicContact CG2-CD1 4.47Å; V905-L988 HydrophobicContact CG2-CD2 4.13Å; V905-L988 HydrophobicContact CG2-CG 3.98Å; L986-L988 PolarHBondContact O-N 3.29Å; L988-H990 PolarHBondContact O-N 3.23Å
989	P	29.6	Very low	39.3	Very low	65 Å²	65	62.8 Å²	62.8	42%	0.422	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-65.8	10.6	-167.8	25.6	-34.6	0	0	0	116.6	K991 L992	P989-K991 PolarHBondContact O-N 3.37Å; P989-L992 HydrophobicContact CB-CB 4.18Å; P989-L992 HydrophobicContact CB-CD1 4.09Å; P989-L992 PolarHBondContact O-N 2.94Å; P989-L992 VanDerWaalsContact O-N 3.09Å
990	H	35.7	Very low	38.4	Very low	122 Å²	122	65.2 Å²	65.2	57%	0.565	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-70.1	-21.6	175.5	-64.3	-55.8	0	0	0	113.4	L988	L988-H990 PolarHBondContact O-N 3.23Å
991	K	32	Very low	37.7	Very low	146 Å²	146	67.6 Å²	67.6	64%	0.635	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-96.6	-4.3	167	-66.9	-161.9	176.7	-166.1	0	114.1	L987 P989	L987-K991 HydrophobicContact CD2-CD 4.03Å; L987-K991 HydrophobicContact CD2-CG 4.29Å; P989-K991 PolarHBondContact O-N 3.37Å
992	L	33.4	Very low	37.1	Very low	70 Å²	70	68.9 Å²	68.9	37%	0.366	38%	0.382	S	S	.	.	S	Bend	trans	-83	124	176.8	-79.4	165.6	0	0	0	109.8	P989 T996 I1000	P989-L992 HydrophobicContact CB-CB 4.18Å; P989-L992 HydrophobicContact CB-CD1 4.09Å; P989-L992 PolarHBondContact O-N 2.94Å; P989-L992 VanDerWaalsContact O-N 3.09Å; L992-T996 HydrophobicContact CD2-CG2 4.49Å; L992-I1000 HydrophobicContact CD1-CD1 4.42Å
993	N	34.3	Very low	36.5	Very low	97 Å²	97	74.1 Å²	74.1	52%	0.519	41%	0.409	S	S	.	.			trans	-49.9	143.8	176.5	-36.4	17.2	0	0	0	108.7	A995 T996 A997	N993-A995 PolarHBondContact O-N 3.22Å; N993-T996 PolarHBondContact O-N 3.2Å; N993-T996 PolarHBondContact O-OG1 3.12Å; N993-A997 PolarHBondContact O-N 3.39Å
994	A	36.6	Very low	35.7	Very low	34 Å²	34	77.3 Å²	77.3	28%	0.281	43%	0.428	S	S	.	.	H	α-helix	trans	-58.4	-21.1	-177.3	0	0	0	0	0	114.2	H998	A994-H998 PolarHBondContact O-N 2.96Å; A994-H998 VanDerWaalsContact O-N 3.1Å
995	A	33.4	Very low	35.1	Very low	40 Å²	40	78.4 Å²	78.4	33%	0.331	44%	0.437	S	S	.	.	H	α-helix	trans	-64.3	-41.7	173.7	0	0	0	0	0	112.2	N860 N993 H998 S999	N860-A995 HydrophobicContact CB-CB 3.91Å; N860-A995 VanDerWaalsContact CG-CB 3.47Å; N993-A995 PolarHBondContact O-N 3.22Å; A995-H998 WeakPolarHBondContact O-CB 3.08Å; A995-H998 PolarHBondContact O-N 2.91Å; A995-S999 PolarHBondContact O-N 3.01Å; A995-S999 PolarHBondContact O-OG 3.2Å
996	T	33.5	Very low	34.4	Very low	39 Å²	39	83.8 Å²	83.8	24%	0.239	46%	0.458	C	S	.	.	H	α-helix	trans	-78.9	-30.1	177.3	-1.2	0	0	0	0	112.2	L992 N993 H998 S999 I1000	L992-T996 HydrophobicContact CD2-CG2 4.49Å; N993-T996 PolarHBondContact O-N 3.2Å; N993-T996 PolarHBondContact O-OG1 3.12Å; T996-H998 PolarHBondContact O-N 2.8Å; T996-S999 WeakPolarHBondContact O-CB 3.45Å; T996-S999 PolarHBondContact O-N 3.45Å; T996-I1000 PolarHBondContact O-N 2.85Å
997	A	35.9	Very low	33.9	Very low	38 Å²	38	85.5 Å²	85.5	31%	0.314	47%	0.471	S	S	.	.	H	α-helix	trans	-60.6	-36.6	170	0	0	0	0	0	111.4	N993 S999 I1000 Q1001	N993-A997 PolarHBondContact O-N 3.39Å; A997-S999 VanDerWaalsContact C-N 3.33Å; A997-S999 PolarHBondContact O-N 2.79Å; A997-I1000 PolarHBondContact O-N 2.91Å; A997-Q1001 VanDerWaalsContact O-CB 3.27Å; A997-Q1001 WeakPolarHBondContact O-CB 3.33Å; A997-Q1001 PolarHBondContact O-N 3.19Å
998	H	35.4	Very low	33.5	Very low	126 Å²	126	85.4 Å²	85.4	58%	0.583	49%	0.489	S	S	*	.	H	α-helix	trans	-63.7	-36.7	171.9	-106.7	-75.2	0	0	0	112.6	A994 A995 T996 Q1001 S1002	A994-H998 PolarHBondContact O-N 2.96Å; A994-H998 VanDerWaalsContact O-N 3.1Å; A995-H998 WeakPolarHBondContact O-CB 3.08Å; A995-H998 PolarHBondContact O-N 2.91Å; T996-H998 PolarHBondContact O-N 2.8Å; H998-Q1001 PolarHBondContact O-N 3.39Å; H998-S1002 WeakPolarHBondContact O-CB 3.43Å; H998-S1002 PolarHBondContact O-N 3.4Å; H998-S1002 PolarHBondContact O-OG 3.2Å
999	S	33.7	Very low	33.4	Very low	51 Å²	51	89 Å²	89	36%	0.357	51%	0.508	S	S	.	.	H	α-helix	trans	-65.3	-41.2	174.7	-54.2	0	0	0	0	112.3	A995 T996 A997 S1002 L1003	A995-S999 PolarHBondContact O-N 3.01Å; A995-S999 PolarHBondContact O-OG 3.2Å; T996-S999 WeakPolarHBondContact O-CB 3.45Å; T996-S999 PolarHBondContact O-N 3.45Å; A997-S999 VanDerWaalsContact C-N 3.33Å; A997-S999 PolarHBondContact O-N 2.79Å; S999-S1002 PolarHBondContact O-N 3.28Å; S999-L1003 WeakPolarHBondContact O-CG 3.48Å; S999-L1003 PolarHBondContact O-N 2.71Å
1000	I	34.3	Very low	33.3	Very low	74 Å²	74	90.7 Å²	90.7	38%	0.379	52%	0.521	S	S	.	.	H	α-helix	trans	-71.6	-37.1	176.3	-62	174.4	0	0	0	111.1	L992 T996 A997 S1002 L1003 L1004	L992-I1000 HydrophobicContact CD1-CD1 4.42Å; T996-I1000 PolarHBondContact O-N 2.85Å; A997-I1000 PolarHBondContact O-N 2.91Å; I1000-S1002 VanDerWaalsContact C-N 3.26Å; I1000-S1002 PolarHBondContact O-N 3.05Å; I1000-L1003 WeakPolarHBondContact O-CB 3.42Å; I1000-L1003 PolarHBondContact O-N 3.07Å; I1000-L1004 HydrophobicContact CG2-CD1 4.17Å; I1000-L1004 HydrophobicContact CG2-CG 4.44Å; I1000-L1004 WeakPolarHBondContact O-CG 3.25Å; I1000-L1004 PolarHBondContact O-N 3Å
1001	Q	36.1	Very low	33	Very low	130 Å²	130	89.6 Å²	89.6	61%	0.607	53%	0.527	S	S	*	.	H	α-helix	trans	-67.9	-30	176.4	-161.3	164.3	8.8	0	0	111.9	A997 H998 A1005	A997-Q1001 VanDerWaalsContact O-CB 3.27Å; A997-Q1001 WeakPolarHBondContact O-CB 3.33Å; A997-Q1001 PolarHBondContact O-N 3.19Å; H998-Q1001 PolarHBondContact O-N 3.39Å; Q1001-A1005 WeakPolarHBondContact O-CB 3.39Å; Q1001-A1005 PolarHBondContact O-N 2.89Å
1002	S	34.3	Very low	32.9	Very low	73 Å²	73	88.8 Å²	88.8	51%	0.51	53%	0.53	S	S	.	.	H	α-helix	trans	-72.4	-35.2	172.2	-55.2	0	0	0	0	111.7	H998 S999 I1000	H998-S1002 WeakPolarHBondContact O-CB 3.43Å; H998-S1002 PolarHBondContact O-N 3.4Å; H998-S1002 PolarHBondContact O-OG 3.2Å; S999-S1002 PolarHBondContact O-N 3.28Å; I1000-S1002 VanDerWaalsContact C-N 3.26Å; I1000-S1002 PolarHBondContact O-N 3.05Å
1003	L	33.2	Very low	32.6	Very low	120 Å²	120	90.7 Å²	90.7	63%	0.628	55%	0.549	S	S	*	.	H	α-helix	trans	-67.6	-40.1	173.4	-78.7	160.7	0	0	0	112.1	S999 I1000 F1006	S999-L1003 WeakPolarHBondContact O-CG 3.48Å; S999-L1003 PolarHBondContact O-N 2.71Å; I1000-L1003 WeakPolarHBondContact O-CB 3.42Å; I1000-L1003 PolarHBondContact O-N 3.07Å; L1003-F1006 PolarHBondContact O-N 2.84Å
1004	L	31.6	Very low	32.2	Very low	113 Å²	113	91.8 Å²	91.8	59%	0.592	55%	0.554	S	S	*	*	H	α-helix	trans	-73.1	-31.3	177.9	-67	173.6	0	0	0	112.5	I1000 F1006 S1007	I1000-L1004 HydrophobicContact CG2-CD1 4.17Å; I1000-L1004 HydrophobicContact CG2-CG 4.44Å; I1000-L1004 WeakPolarHBondContact O-CG 3.25Å; I1000-L1004 PolarHBondContact O-N 3Å; L1004-F1006 PolarHBondContact O-N 3.43Å; L1004-S1007 PolarHBondContact O-N 3.23Å; L1004-S1007 VanDerWaalsContact O-N 3.13Å; L1004-S1007 PolarHBondContact O-OG 3.31Å
1005	A	32.5	Very low	31.7	Very low	81 Å²	81	98.6 Å²	98.6	67%	0.669	58%	0.578	S	S	*	*	H	α-helix	trans	-64.1	-19.5	174	0	0	0	0	0	113.3	Q1001 S1007	Q1001-A1005 WeakPolarHBondContact O-CB 3.39Å; Q1001-A1005 PolarHBondContact O-N 2.89Å; A1005-S1007 VanDerWaalsContact C-N 3.3Å
1006	F	31.6	Very low	31.3	Very low	194 Å²	194	107.6 Å²	107.6	85%	0.851	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-13.1	176.5	-128.9	-90.3	0	0	0	113.7	L1003 L1004 G1008	L1003-F1006 PolarHBondContact O-N 2.84Å; L1004-F1006 PolarHBondContact O-N 3.43Å; F1006-G1008 PolarHBondContact O-N 3.47Å
1007	S	33.9	Very low	31	Very low	53 Å²	53	110.9 Å²	110.9	37%	0.371	63%	0.629	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.4	9.4	-175.4	62.2	0	0	0	0	115.2	L1004 A1005 L1009	L1004-S1007 PolarHBondContact O-N 3.23Å; L1004-S1007 VanDerWaalsContact O-N 3.13Å; L1004-S1007 PolarHBondContact O-OG 3.31Å; A1005-S1007 VanDerWaalsContact C-N 3.3Å; S1007-L1009 PolarHBondContact O-N 2.88Å
1008	G	27.5	Very low	30.5	Very low	74 Å²	74	113.8 Å²	113.8	76%	0.763	64%	0.635	S	S	*	*			trans	64.3	10.5	167.1	0	0	0	0	0	116.4	F1006 S1010	F1006-G1008 PolarHBondContact O-N 3.47Å; G1008-S1010 PolarHBondContact O-N 3.26Å
1009	L	32.4	Very low	30.1	Very low	129 Å²	129	111.5 Å²	111.5	68%	0.675	65%	0.646	S	S	*	*			trans	-74.4	123.4	-177.6	-74.4	162.5	0	0	0	111.5	P893 S1007	P893-L1009 HydrophobicContact CG-CD1 4.45Å; S1007-L1009 PolarHBondContact O-N 2.88Å
1010	S	28.1	Very low	30	Very low	100 Å²	100	115.4 Å²	115.4	70%	0.699	66%	0.663	S	S	*	*			trans	-68.7	146.3	173.5	57.5	0	0	0	0	111.3	G1008 D1012	G1008-S1010 PolarHBondContact O-N 3.26Å; S1010-D1012 PolarHBondContact O-N 3.31Å
1011	S	30.1	Very low	29.9	Very low	100 Å²	100	117.8 Å²	117.8	70%	0.699	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-5.4	-165.3	48.1	0	0	0	0	116.8
1012	D	29.2	Very low	29.9	Very low	128 Å²	128	119.5 Å²	119.5	68%	0.684	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-19.5	-156	-68.9	-1.1	0	0	0	114.1	S1010 L1014	S1010-D1012 PolarHBondContact O-N 3.31Å; D1012-L1014 PolarHBondContact O-N 2.87Å
1013	S	26.9	Very low	30.3	Very low	110 Å²	110	118.9 Å²	118.9	77%	0.769	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-4.9	-177.4	86.5	0	0	0	0	115.3
1014	L	26.1	Very low	31	Very low	120 Å²	120	118.7 Å²	118.7	63%	0.628	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	7.2	-178.5	-69.9	175.3	0	0	0	114.6	D1012 Y1016 F1018	D1012-L1014 PolarHBondContact O-N 2.87Å; L1014-Y1016 VanDerWaalsContact C-N 3.29Å; L1014-Y1016 PolarHBondContact O-N 2.77Å; L1014-F1018 HydrophobicContact CB-CD2 4.46Å
1015	F	25.4	Very low	31.9	Very low	178 Å²	178	117.4 Å²	117.4	78%	0.781	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-22.1	-171.4	-154.8	-98.1	0	0	0	114.4	S1017	F1015-S1017 PolarHBondContact O-N 2.96Å
1016	Y	25.8	Very low	33.3	Very low	228 Å²	228	115.8 Å²	115.8	89%	0.894	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-12	-169	-128.4	-92.1	0	0	0	116.2	L1014	L1014-Y1016 VanDerWaalsContact C-N 3.29Å; L1014-Y1016 PolarHBondContact O-N 2.77Å
1017	S	26.4	Very low	35	Very low	109 Å²	109	110 Å²	110	76%	0.762	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.8	2.6	-175.7	-65.3	0	0	0	0	115.9	F1015	F1015-S1017 PolarHBondContact O-N 2.96Å
1018	F	26.5	Very low	36.7	Very low	98 Å²	98	109.5 Å²	109.5	43%	0.43	62%	0.621	S	S	.	*			trans	-98.7	-2.4	-176	-90	-85	0	0	0	116	L1014 N1020 R1021	L1014-F1018 HydrophobicContact CB-CD2 4.46Å; F1018-N1020 PolarHBondContact O-N 3.34Å; F1018-R1021 HydrophobicContact CD1-CB 3.93Å; F1018-R1021 HydrophobicContact CE1-CB 4.41Å; F1018-R1021 PolarHBondContact O-N 3.37Å
1019	G	26.5	Very low	38.8	Very low	79 Å²	79	108 Å²	108	81%	0.814	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	-24.4	-175.4	0	0	0	0	0	115.4
1020	N	32.5	Very low	41.1	Very low	133 Å²	133	105.6 Å²	105.6	71%	0.711	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	-8	-179	-139.6	3.8	0	0	0	114.6	F1018	F1018-N1020 PolarHBondContact O-N 3.34Å
1021	R	30.9	Very low	43.8	Very low	123 Å²	123	102.1 Å²	102.1	46%	0.464	56%	0.557	S	S	.	*	H	α-helix	trans	-90.2	-28.9	-174.8	-82.7	-175.2	176.3	-177.6	-0.8	114.5	F1018 S1023 M1024 V1025	F1018-R1021 HydrophobicContact CD1-CB 3.93Å; F1018-R1021 HydrophobicContact CE1-CB 4.41Å; F1018-R1021 PolarHBondContact O-N 3.37Å; R1021-S1023 PolarHBondContact O-N 3.48Å; R1021-M1024 PolarHBondContact O-N 2.88Å; R1021-V1025 WeakPolarHBondContact O-CG2 3.27Å; R1021-V1025 PolarHBondContact O-N 3.42Å; R1021-V1025 VanDerWaalsContact O-N 3.07Å
1022	Q	37.3	Very low	46.3	Very low	167 Å²	167	102.2 Å²	102.2	78%	0.78	54%	0.542	S	S	*	.	H	α-helix	trans	-59.3	-34.8	173.8	-79.6	-178.5	-4.4	0	0	111.5	A1026	Q1022-A1026 WeakPolarHBondContact O-CB 3.38Å; Q1022-A1026 PolarHBondContact O-N 3.17Å; Q1022-A1026 VanDerWaalsContact O-N 3.1Å
1023	S	41.9	Very low	48.8	Very low	59 Å²	59	101.3 Å²	101.3	41%	0.413	53%	0.532	S	S	.	.	H	α-helix	trans	-63.5	-50.5	175	176.9	0	0	0	0	112.4	R1021 A1026 K1027	R1021-S1023 PolarHBondContact O-N 3.48Å; S1023-A1026 PolarHBondContact O-N 3.31Å; S1023-K1027 WeakPolarHBondContact O-CG 3.33Å; S1023-K1027 PolarHBondContact O-N 2.85Å
1024	M	47.1	Very low	51.9	Low	116 Å²	116	96.3 Å²	96.3	57%	0.571	50%	0.497	S	S	*	.	H	α-helix	trans	-65.5	-45.6	-178.3	-109.2	-160.4	-76.7	0	0	112.8	R1021 A1026 K1027 C1028	R1021-M1024 PolarHBondContact O-N 2.88Å; M1024-A1026 VanDerWaalsContact C-N 3.3Å; M1024-A1026 PolarHBondContact O-N 3.31Å; M1024-K1027 PolarHBondContact O-N 2.8Å; M1024-C1028 PolarHBondContact O-N 3.47Å; M1024-C1028 PolarHBondContact O-SG 2.8Å
1025	V	52.4	Low	54.8	Low	86 Å²	86	95.2 Å²	95.2	52%	0.521	49%	0.487	S	S	.	.	H	α-helix	trans	-64.3	-38.7	179.3	177.8	0	0	0	0	110.9	R1021 T1029	R1021-V1025 WeakPolarHBondContact O-CG2 3.27Å; R1021-V1025 PolarHBondContact O-N 3.42Å; R1021-V1025 VanDerWaalsContact O-N 3.07Å; V1025-T1029 WeakPolarHBondContact O-CB 3.4Å; V1025-T1029 PolarHBondContact O-N 3.35Å; V1025-T1029 PolarHBondContact O-OG1 2.78Å
1026	A	60.9	Low	57.5	Low	47 Å²	47	93.8 Å²	93.8	39%	0.388	48%	0.483	S	S	.	.	H	α-helix	trans	-63.7	-44.2	173.4	0	0	0	0	0	111.8	Q1022 S1023 M1024 T1029 N1030	Q1022-A1026 WeakPolarHBondContact O-CB 3.38Å; Q1022-A1026 PolarHBondContact O-N 3.17Å; Q1022-A1026 VanDerWaalsContact O-N 3.1Å; S1023-A1026 PolarHBondContact O-N 3.31Å; M1024-A1026 VanDerWaalsContact C-N 3.3Å; M1024-A1026 PolarHBondContact O-N 3.31Å; A1026-T1029 PolarHBondContact O-N 3.4Å; A1026-N1030 WeakPolarHBondContact O-CB 3.42Å; A1026-N1030 PolarHBondContact O-N 3.35Å; A1026-N1030 PolarHBondContact O-ND2 3.37Å
1027	K	67.9	Low	60.4	Low	73 Å²	73	87.1 Å²	87.1	32%	0.317	46%	0.46	S	S	.	.	H	α-helix	trans	-60.2	-48.3	176.6	-75.7	-168.8	-177.9	-158.7	0	112.1	S1023 M1024 T1029 N1030 Y1031 E1127	S1023-K1027 WeakPolarHBondContact O-CG 3.33Å; S1023-K1027 PolarHBondContact O-N 2.85Å; M1024-K1027 PolarHBondContact O-N 2.8Å; K1027-T1029 VanDerWaalsContact C-N 3.33Å; K1027-T1029 PolarHBondContact O-N 3.02Å; K1027-N1030 PolarHBondContact O-N 3.36Å; K1027-Y1031 WeakPolarHBondContact O-CB 3.38Å; K1027-Y1031 PolarHBondContact O-N 2.86Å; K1027-E1127 IonicContact NZ-OE1 2.75Å; K1027-E1127 PolarHBondContact NZ-OE1 2.9Å
1028	C	68.7	Low	63.6	Low	42 Å²	42	85.5 Å²	85.5	28%	0.284	44%	0.437	S	S	.	.	H	α-helix	trans	-62.5	-38.8	177.2	-66.5	0	0	0	0	112.5	M1024 Y1031 R1032 L1131	M1024-C1028 PolarHBondContact O-N 3.47Å; M1024-C1028 PolarHBondContact O-SG 2.8Å; C1028-Y1031 PolarHBondContact O-N 2.92Å; C1028-R1032 PolarHBondContact O-N 3.48Å; C1028-R1032 VanDerWaalsContact O-N 3.07Å; C1028-L1131 HydrophobicContact CB-CD2 4.3Å; C1028-L1131 WeakPolarHBondContact SG-CD2 3.35Å
1029	T	72.6	Confident	66.7	Low	42 Å²	42	83.5 Å²	83.5	26%	0.258	43%	0.434	S	S	.	.	H	α-helix	trans	-70	-41.5	179.3	-56.3	0	0	0	0	111.6	V1025 A1026 K1027 Y1031 R1032 K1033	V1025-T1029 WeakPolarHBondContact O-CB 3.4Å; V1025-T1029 PolarHBondContact O-N 3.35Å; V1025-T1029 PolarHBondContact O-OG1 2.78Å; A1026-T1029 PolarHBondContact O-N 3.4Å; K1027-T1029 VanDerWaalsContact C-N 3.33Å; K1027-T1029 PolarHBondContact O-N 3.02Å; T1029-Y1031 VanDerWaalsContact C-N 3.33Å; T1029-R1032 PolarHBondContact O-N 3.49Å; T1029-K1033 PolarHBondContact O-N 3.1Å; T1029-K1033 VanDerWaalsContact O-N 3.12Å
1030	N	79.5	Confident	69.8	Low	79 Å²	79	84.3 Å²	84.3	42%	0.422	42%	0.42	S	S	.	.	H	α-helix	trans	-65.3	-37.7	175.2	-70.8	-15.2	0	0	0	111.6	A1026 K1027 K1033 L1034 M1065	A1026-N1030 WeakPolarHBondContact O-CB 3.42Å; A1026-N1030 PolarHBondContact O-N 3.35Å; A1026-N1030 PolarHBondContact O-ND2 3.37Å; K1027-N1030 PolarHBondContact O-N 3.36Å; N1030-K1033 PolarHBondContact O-N 3.09Å; N1030-L1034 WeakPolarHBondContact O-CB 3.48Å; N1030-L1034 PolarHBondContact O-N 2.98Å; N1030-M1065 HydrophobicContact CB-CE 4Å; N1030-M1065 HydrophobicContact CB-SD 3.95Å
1031	Y	86.1	Confident	72.6	Confident	28 Å²	28	78.2 Å²	78.2	11%	0.11	39%	0.387	C	S	.	.	H	α-helix	trans	-64.1	-40.7	174.7	-177.4	-98	0	0	0	112.6	K1027 C1028 T1029 K1033 L1034 K1035 E1068 L1131 V1138	K1027-Y1031 WeakPolarHBondContact O-CB 3.38Å; K1027-Y1031 PolarHBondContact O-N 2.86Å; C1028-Y1031 PolarHBondContact O-N 2.92Å; T1029-Y1031 VanDerWaalsContact C-N 3.33Å; Y1031-K1033 PolarHBondContact O-N 3.25Å; Y1031-L1034 HydrophobicContact CD2-CD2 4.03Å; Y1031-L1034 HydrophobicContact CE2-CD2 4.32Å; Y1031-L1034 VanDerWaalsContact O-CB 3.3Å; Y1031-L1034 WeakPolarHBondContact O-CB 3.25Å; Y1031-L1034 PolarHBondContact O-N 2.82Å; Y1031-K1035 HydrophobicContact CD1-CG 4.29Å; Y1031-K1035 HydrophobicContact CE1-CD 4.25Å; Y1031-K1035 HydrophobicContact CE1-CG 3.97Å; Y1031-K1035 WeakPolarHBondContact O-CG 3.5Å; Y1031-K1035 PolarHBondContact O-N 3.49Å; Y1031-E1068 HydrophobicContact CE2-CG 4.44Å; Y1031-E1068 PolarHBondContact OH-OE1 3.45Å; Y1031-E1068 VanDerWaalsContact OH-OE1 3.09Å; Y1031-E1068 PolarHBondContact OH-OE2 3.01Å; Y1031-L1131 HydrophobicContact CD1-CD1 3.37Å; Y1031-L1131 HydrophobicContact CD2-CD1 3.43Å; Y1031-L1131 VanDerWaalsContact CD2-CD1 3.43Å; Y1031-L1131 HydrophobicContact CE1-CD1 3.54Å; Y1031-L1131 HydrophobicContact CE2-CD1 3.6Å; Y1031-L1131 HydrophobicContact CG-CD1 3.28Å; Y1031-V1138 HydrophobicContact CD2-CG2 3.97Å; Y1031-V1138 HydrophobicContact CE2-CG2 3.83Å
1032	R	81.3	Confident	75.8	Confident	101 Å²	101	72.7 Å²	72.7	38%	0.381	37%	0.367	S	S	.	.	H	α-helix	trans	-61.9	-43.4	173.4	-83.2	-171.9	-100.7	101.8	-2.4	112.4	C1028 T1029 L1034 K1035 Q1036	C1028-R1032 PolarHBondContact O-N 3.48Å; C1028-R1032 VanDerWaalsContact O-N 3.07Å; T1029-R1032 PolarHBondContact O-N 3.49Å; R1032-L1034 VanDerWaalsContact C-N 3.34Å; R1032-L1034 PolarHBondContact O-N 2.83Å; R1032-K1035 PolarHBondContact O-N 3.03Å; R1032-Q1036 PolarHBondContact O-N 3.46Å
1033	K	82	Confident	78.6	Confident	109 Å²	109	69.3 Å²	69.3	47%	0.474	35%	0.348	S	S	.	.	H	α-helix	trans	-60.7	-43.6	174.3	-72	-178.1	178.9	-179.2	0	111.8	T1029 N1030 Y1031 K1035 Q1036 E1037	T1029-K1033 PolarHBondContact O-N 3.1Å; T1029-K1033 VanDerWaalsContact O-N 3.12Å; N1030-K1033 PolarHBondContact O-N 3.09Å; Y1031-K1033 PolarHBondContact O-N 3.25Å; K1033-K1035 VanDerWaalsContact C-N 3.33Å; K1033-K1035 PolarHBondContact O-N 3.06Å; K1033-Q1036 PolarHBondContact O-N 3.42Å; K1033-E1037 WeakPolarHBondContact O-CB 3.18Å; K1033-E1037 WeakPolarHBondContact O-CG 3.4Å; K1033-E1037 PolarHBondContact O-N 3.43Å
1034	L	91.8	Very high	81.2	Confident	5 Å²	5	70.3 Å²	70.3	3%	0.026	35%	0.348	C	S	.	.	H	α-helix	trans	-52.8	-49.7	174.5	168.7	73.3	0	0	0	111.6	N1030 Y1031 R1032 Q1036 E1037 W1038 M1065 V1066 V1138	N1030-L1034 WeakPolarHBondContact O-CB 3.48Å; N1030-L1034 PolarHBondContact O-N 2.98Å; Y1031-L1034 HydrophobicContact CD2-CD2 4.03Å; Y1031-L1034 HydrophobicContact CE2-CD2 4.32Å; Y1031-L1034 VanDerWaalsContact O-CB 3.3Å; Y1031-L1034 WeakPolarHBondContact O-CB 3.25Å; Y1031-L1034 PolarHBondContact O-N 2.82Å; R1032-L1034 VanDerWaalsContact C-N 3.34Å; R1032-L1034 PolarHBondContact O-N 2.83Å; L1034-Q1036 PolarHBondContact O-N 3.39Å; L1034-E1037 PolarHBondContact O-N 3.35Å; L1034-W1038 HydrophobicContact CD1-CB 4.29Å; L1034-W1038 WeakPolarHBondContact O-CB 3.39Å; L1034-W1038 PolarHBondContact O-N 3.35Å; L1034-M1065 HydrophobicContact CB-CB 4.03Å; L1034-M1065 HydrophobicContact CB-SD 4.49Å; L1034-M1065 HydrophobicContact CD1-CB 3.86Å; L1034-M1065 WeakPolarHBondContact CD1-O 3.42Å; L1034-M1065 HydrophobicContact CD2-CB 3.98Å; L1034-M1065 HydrophobicContact CD2-SD 4.36Å; L1034-M1065 HydrophobicContact CG-CB 4.17Å; L1034-V1066 VanDerWaalsContact CD1-O 3.25Å; L1034-V1066 WeakPolarHBondContact CD1-O 3.32Å; L1034-V1138 HydrophobicContact CD2-CG1 3.71Å; L1034-V1138 HydrophobicContact CD2-CG2 4.33Å
1035	K	88	Confident	83.4	Confident	97 Å²	97	66.3 Å²	66.3	42%	0.422	33%	0.333	S	S	.	.	H	α-helix	trans	-60	-32.3	-177	-67.7	-73.1	-87.5	-171.6	0	112.9	Y1031 R1032 K1033 E1068	Y1031-K1035 HydrophobicContact CD1-CG 4.29Å; Y1031-K1035 HydrophobicContact CE1-CD 4.25Å; Y1031-K1035 HydrophobicContact CE1-CG 3.97Å; Y1031-K1035 WeakPolarHBondContact O-CG 3.5Å; Y1031-K1035 PolarHBondContact O-N 3.49Å; R1032-K1035 PolarHBondContact O-N 3.03Å; K1033-K1035 VanDerWaalsContact C-N 3.33Å; K1033-K1035 PolarHBondContact O-N 3.06Å; K1035-E1068 WeakPolarHBondContact CD-OE2 3.47Å; K1035-E1068 IonicContact NZ-OE2 2.76Å; K1035-E1068 PolarHBondContact NZ-OE2 2.95Å
1036	Q	82.2	Confident	85.4	Confident	148 Å²	148	72.5 Å²	72.5	69%	0.692	35%	0.347	S	S	*	.	H	α-helix	trans	-85.2	-36	178.4	-65.2	176.3	-3.5	0	0	112.7	R1032 K1033 L1034	R1032-Q1036 PolarHBondContact O-N 3.46Å; K1033-Q1036 PolarHBondContact O-N 3.42Å; L1034-Q1036 PolarHBondContact O-N 3.39Å
1037	E	86.7	Confident	87	Confident	89 Å²	89	71 Å²	71	42%	0.416	33%	0.334	S	S	.	.	H	α-helix	trans	-99.2	-13.6	-169.2	-65.1	178.9	-172.5	0	0	114.4	K1033 L1034 P1039 N1040 N1041	K1033-E1037 WeakPolarHBondContact O-CB 3.18Å; K1033-E1037 WeakPolarHBondContact O-CG 3.4Å; K1033-E1037 PolarHBondContact O-N 3.43Å; L1034-E1037 PolarHBondContact O-N 3.35Å; E1037-P1039 VanDerWaalsContact C-N 3.31Å; E1037-P1039 VanDerWaalsContact O-N 3.15Å; E1037-N1040 WeakPolarHBondContact O-CA 3.26Å; E1037-N1040 WeakPolarHBondContact O-CB 3.39Å; E1037-N1040 PolarHBondContact O-N 3Å; E1037-N1041 PolarHBondContact O-N 3.46Å; E1037-N1041 PolarHBondContact O-OD1 2.71Å
1038	W	93.1	Very high	88	Confident	75 Å²	75	76.6 Å²	76.6	28%	0.284	36%	0.358	S	S	.	.	H	α-helix	trans	-53.3	-35.9	-177.1	80	-94.3	0	0	0	114.6	L1034 N1040 N1041 V1042 I1067 P1112	L1034-W1038 HydrophobicContact CD1-CB 4.29Å; L1034-W1038 WeakPolarHBondContact O-CB 3.39Å; L1034-W1038 PolarHBondContact O-N 3.35Å; W1038-N1040 PolarHBondContact O-N 3.44Å; W1038-N1040 VanDerWaalsContact O-N 3.14Å; W1038-N1041 WeakPolarHBondContact O-CB 3.47Å; W1038-N1041 PolarHBondContact O-N 2.88Å; W1038-V1042 HydrophobicContact CE3-CG2 3.89Å; W1038-V1042 HydrophobicContact CZ3-CG2 4.2Å; W1038-V1042 PolarHBondContact O-N 2.95Å; W1038-I1067 HydrophobicContact CD2-CD1 4.29Å; W1038-I1067 HydrophobicContact CD2-CG1 4.44Å; W1038-I1067 HydrophobicContact CE3-CD1 3.63Å; W1038-I1067 HydrophobicContact CE3-CG1 4.22Å; W1038-I1067 HydrophobicContact CZ3-CD1 4.02Å; W1038-P1112 HydrophobicContact CH2-CG 3.79Å; W1038-P1112 HydrophobicContact CZ3-CB 4.44Å; W1038-P1112 HydrophobicContact CZ3-CG 3.67Å
1039	P	91.9	Very high	89.2	Confident	55 Å²	55	76.2 Å²	76.2	36%	0.357	35%	0.353	S	S	.	.	H	α-helix	trans	-65.6	-18.2	177.9	-19.8	34	0	0	0	113.5	E1037 K1057	E1037-P1039 VanDerWaalsContact C-N 3.31Å; E1037-P1039 VanDerWaalsContact O-N 3.15Å; P1039-K1057 PolarHBondContact O-NZ 3.07Å
1040	N	91.3	Very high	89.8	Confident	97 Å²	97	79.9 Å²	79.9	52%	0.519	37%	0.367	S	S	.	.	H	α-helix	trans	-93.8	-10.9	174.2	-66.2	-37.5	0	0	0	112.7	E1037 W1038	E1037-N1040 WeakPolarHBondContact O-CA 3.26Å; E1037-N1040 WeakPolarHBondContact O-CB 3.39Å; E1037-N1040 PolarHBondContact O-N 3Å; W1038-N1040 PolarHBondContact O-N 3.44Å; W1038-N1040 VanDerWaalsContact O-N 3.14Å
1041	N	91.7	Very high	90.4	Very high	4 Å²	4	78.7 Å²	78.7	2%	0.021	37%	0.374	C	S	.	.	H	α-helix	trans	-86.6	-35.5	178.1	-62.9	-12.6	0	0	0	111.6	E1037 W1038 K1057 R1058 V1066	E1037-N1041 PolarHBondContact O-N 3.46Å; E1037-N1041 PolarHBondContact O-OD1 2.71Å; W1038-N1041 WeakPolarHBondContact O-CB 3.47Å; W1038-N1041 PolarHBondContact O-N 2.88Å; N1041-K1057 PolarHBondContact O-N 2.86Å; N1041-R1058 PolarHBondContact OD1-NE 3.47Å; N1041-R1058 PolarHBondContact OD1-NH2 3.2Å; N1041-V1066 HydrophobicContact CB-CG1 4.45Å; N1041-V1066 PolarHBondContact ND2-O 3.07Å
1042	V	96.8	Very high	90.8	Very high	8 Å²	8	81 Å²	81	5%	0.048	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	156.8	-167.7	-56.9	0	0	0	0	114.2	W1038 L1054 F1055 V1066 I1067 L1151	W1038-V1042 HydrophobicContact CE3-CG2 3.89Å; W1038-V1042 HydrophobicContact CZ3-CG2 4.2Å; W1038-V1042 PolarHBondContact O-N 2.95Å; V1042-L1054 HydrophobicContact CB-CD1 4.08Å; V1042-L1054 HydrophobicContact CB-CD2 4Å; V1042-L1054 HydrophobicContact CB-CG 3.85Å; V1042-L1054 HydrophobicContact CG1-CD2 3.99Å; V1042-L1054 HydrophobicContact CG1-CG 4.21Å; V1042-L1054 HydrophobicContact CG2-CD1 4.07Å; V1042-L1054 HydrophobicContact CG2-CD2 4.06Å; V1042-L1054 HydrophobicContact CG2-CG 4.22Å; V1042-F1055 CarbonylContact C-O 3.55Å; V1042-F1055 WeakPolarHBondContact CA-O 3.47Å; V1042-V1066 HydrophobicContact CG1-CG1 3.61Å; V1042-I1067 HydrophobicContact CG2-CD1 4.03Å; V1042-L1151 HydrophobicContact CG1-CD1 3.53Å
1043	Y	96.8	Very high	91.5	Very high	95 Å²	95	76.2 Å²	76.2	37%	0.373	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	157.6	166.6	70.9	-79	0	0	0	110.3	A1045 F1055 A1056 K1057	Y1043-A1045 HydrophobicContact CD2-CB 4.27Å; Y1043-A1045 HydrophobicContact CE2-CB 3.88Å; Y1043-F1055 HydrophobicContact CD1-CB 3.94Å; Y1043-F1055 WeakPolarHBondContact CD1-O 3.4Å; Y1043-F1055 HydrophobicContact CD2-CB 4.47Å; Y1043-F1055 HydrophobicContact CE1-CB 3.41Å; Y1043-F1055 VanDerWaalsContact CE1-CB 3.41Å; Y1043-F1055 HydrophobicContact CE2-CB 4.01Å; Y1043-F1055 HydrophobicContact CE2-CG 4.43Å; Y1043-F1055 HydrophobicContact CG-CB 4.45Å; Y1043-F1055 VanDerWaalsContact CZ-CB 3.44Å; Y1043-F1055 PolarHBondContact N-O 2.98Å; Y1043-F1055 PolarHBondContact O-N 3.46Å; Y1043-A1056 WeakPolarHBondContact CE1-O 3.15Å; Y1043-K1057 HydrophobicContact CD1-CB 3.89Å; Y1043-K1057 HydrophobicContact CD1-CG 4.24Å
1044	L	96	Very high	92.3	Very high	81 Å²	81	71.1 Å²	71.1	42%	0.424	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	133.6	-178.9	-167.5	72.5	0	0	0	109.6	L1052 L1054 Y1115	L1044-L1052 HydrophobicContact CD1-CB 4.23Å; L1044-L1052 HydrophobicContact CD2-CD1 4.03Å; L1044-L1052 HydrophobicContact CG-CD1 4.48Å; L1044-L1054 HydrophobicContact CD1-CD1 4.27Å; L1044-Y1115 HydrophobicContact CD1-CD1 4.45Å; L1044-Y1115 HydrophobicContact CD1-CD2 3.65Å; L1044-Y1115 HydrophobicContact CD1-CE2 4.48Å; L1044-Y1115 HydrophobicContact CD1-CG 3.64Å; L1044-Y1115 HydrophobicContact CD2-CD2 4.39Å; L1044-Y1115 HydrophobicContact CD2-CE2 4.44Å
1045	A	93.7	Very high	92.6	Very high	32 Å²	32	71.9 Å²	71.9	26%	0.264	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	178	173.8	0	0	0	0	0	110.9	Y1043 S1047 L1052 G1053 F1055	Y1043-A1045 HydrophobicContact CD2-CB 4.27Å; Y1043-A1045 HydrophobicContact CE2-CB 3.88Å; A1045-S1047 PolarHBondContact O-N 3.43Å; A1045-L1052 WeakPolarHBondContact O-CA 3.32Å; A1045-G1053 PolarHBondContact N-O 2.95Å; A1045-G1053 PolarHBondContact O-N 3.02Å; A1045-G1053 VanDerWaalsContact O-O 3.13Å; A1045-F1055 HydrophobicContact CB-CD2 3.71Å; A1045-F1055 HydrophobicContact CB-CE2 3.68Å; A1045-F1055 HydrophobicContact CB-CZ 4.46Å
1046	R	93.9	Very high	93	Very high	216 Å²	216	67.2 Å²	67.2	82%	0.815	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	129.4	175.8	-169.7	170.8	-176.6	150.2	-0.6	109.8	F1055	R1046-F1055 WeakPolarHBondContact O-CZ 3.46Å
1047	S	95.4	Very high	93.7	Very high	14 Å²	14	64.7 Å²	64.7	10%	0.098	32%	0.317	C	S	.	.			trans	-78.6	151	179.4	178.2	0	0	0	0	111.6	A1045 I1049 Q1050 G1051 N1117 E1150	A1045-S1047 PolarHBondContact O-N 3.43Å; S1047-I1049 WeakPolarHBondContact OG-CB 3.04Å; S1047-I1049 PolarHBondContact OG-N 3.5Å; S1047-Q1050 WeakPolarHBondContact CB-O 3.46Å; S1047-Q1050 PolarHBondContact OG-N 3.2Å; S1047-G1051 PolarHBondContact N-O 3.46Å; S1047-N1117 VanDerWaalsContact CB-ND2 3.3Å; S1047-N1117 WeakPolarHBondContact CB-ND2 3.36Å; S1047-N1117 PolarHBondContact OG-ND2 3.36Å; S1047-E1150 WeakPolarHBondContact CB-OE1 3.15Å; S1047-E1150 VanDerWaalsContact OG-CD 3.24Å; S1047-E1150 PolarHBondContact OG-OE1 3.16Å; S1047-E1150 PolarHBondContact OG-OE2 2.85Å
1048	K	89.5	Confident	94.1	Very high	191 Å²	191	65.1 Å²	65.1	83%	0.83	32%	0.315	S	S	*	.	S	Bend	trans	-83.3	-14.9	166.4	-65.6	-176.3	-179.3	-179.2	0	112.9	E1150	K1048-E1150 PolarHBondContact N-OE2 3.05Å
1049	I	92.7	Very high	94	Very high	34 Å²	34	66.7 Å²	66.7	17%	0.174	33%	0.329	C	S	.	.	S	Bend	trans	-90.7	-65.7	179.9	-57.5	175.7	0	0	0	108.9	S1047 N1117 T1152 L1169 C1170	S1047-I1049 WeakPolarHBondContact OG-CB 3.04Å; S1047-I1049 PolarHBondContact OG-N 3.5Å; I1049-N1117 HydrophobicContact CB-CB 4.43Å; I1049-N1117 HydrophobicContact CD1-CB 4.26Å; I1049-N1117 HydrophobicContact CG2-CB 4.43Å; I1049-T1152 HydrophobicContact CD1-CG2 3.75Å; I1049-L1169 HydrophobicContact CG2-CB 4.43Å; I1049-C1170 HydrophobicContact CD1-CB 4.38Å
1050	Q	86.5	Confident	94.2	Very high	120 Å²	120	64.3 Å²	64.3	56%	0.561	31%	0.313	S	S	*	.	S	Bend	trans	-158.6	133.8	-179.2	-167.6	179.4	5.2	0	0	111.7	S1047 L1052 N1117	S1047-Q1050 WeakPolarHBondContact CB-O 3.46Å; S1047-Q1050 PolarHBondContact OG-N 3.2Å; Q1050-L1052 PolarHBondContact O-N 3.33Å; Q1050-N1117 PolarHBondContact O-ND2 2.97Å; Q1050-N1117 PolarHBondContact O-OD1 2.98Å
1051	G	91.5	Very high	93.9	Very high	54 Å²	54	67 Å²	67	56%	0.557	32%	0.323	S	S	*	.	S	Bend	trans	56.3	-122.3	170.6	0	0	0	0	0	114.1	S1047	S1047-G1051 PolarHBondContact N-O 3.46Å
1052	L	94.3	Very high	93.8	Very high	77 Å²	77	71.6 Å²	71.6	40%	0.403	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	146.5	175.2	-63.5	176.5	0	0	0	109.7	L1044 A1045 Q1050 Y1115 N1117	L1044-L1052 HydrophobicContact CD1-CB 4.23Å; L1044-L1052 HydrophobicContact CD2-CD1 4.03Å; L1044-L1052 HydrophobicContact CG-CD1 4.48Å; A1045-L1052 WeakPolarHBondContact O-CA 3.32Å; Q1050-L1052 PolarHBondContact O-N 3.33Å; L1052-Y1115 HydrophobicContact CB-CD1 4.04Å; L1052-Y1115 HydrophobicContact CD1-CD1 4.34Å; L1052-Y1115 HydrophobicContact CD1-CE1 4.19Å; L1052-N1117 PolarHBondContact O-ND2 2.83Å; L1052-N1117 VanDerWaalsContact O-ND2 3.07Å
1053	G	95.8	Very high	93.3	Very high	0 Å²	0	76.1 Å²	76.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	156.7	177.1	0	0	0	0	0	110.6	A1045 F1055 Y1115	A1045-G1053 PolarHBondContact N-O 2.95Å; A1045-G1053 PolarHBondContact O-N 3.02Å; A1045-G1053 VanDerWaalsContact O-O 3.13Å; G1053-F1055 VanDerWaalsContact O-CD2 3.29Å; G1053-F1055 WeakPolarHBondContact O-CD2 3.44Å; G1053-F1055 WeakPolarHBondContact O-CE2 3.29Å; G1053-Y1115 WeakPolarHBondContact CA-O 3.24Å
1054	L	97.8	Very high	92.9	Very high	1 Å²	1	73 Å²	73	1%	0.005	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.6	172.3	-159.6	70.5	0	0	0	109.4	V1042 L1044 I1067 P1112 Y1115 I1116 L1151	V1042-L1054 HydrophobicContact CB-CD1 4.08Å; V1042-L1054 HydrophobicContact CB-CD2 4Å; V1042-L1054 HydrophobicContact CB-CG 3.85Å; V1042-L1054 HydrophobicContact CG1-CD2 3.99Å; V1042-L1054 HydrophobicContact CG1-CG 4.21Å; V1042-L1054 HydrophobicContact CG2-CD1 4.07Å; V1042-L1054 HydrophobicContact CG2-CD2 4.06Å; V1042-L1054 HydrophobicContact CG2-CG 4.22Å; L1044-L1054 HydrophobicContact CD1-CD1 4.27Å; L1054-I1067 HydrophobicContact CD2-CD1 4.19Å; L1054-I1067 HydrophobicContact CD2-CG2 4.12Å; L1054-P1112 HydrophobicContact CD1-CB 3.74Å; L1054-Y1115 PolarHBondContact N-O 3.23Å; L1054-I1116 HydrophobicContact CB-CG1 3.71Å; L1054-I1116 HydrophobicContact CD2-CD1 3.91Å; L1054-I1116 HydrophobicContact CD2-CG1 3.73Å; L1054-I1116 HydrophobicContact CG-CG1 4.38Å; L1054-L1151 HydrophobicContact CD2-CD1 4.18Å; L1054-L1151 HydrophobicContact CG-CD1 4.32Å; L1054-L1151 WeakPolarHBondContact O-CB 3.19Å; L1054-L1151 PolarHBondContact O-N 3.36Å
1055	F	98.3	Very high	92.8	Very high	21 Å²	21	70.3 Å²	70.3	9%	0.092	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	149.4	-170.8	-67.4	-100.7	0	0	0	111.5	V1042 Y1043 A1045 R1046 G1053 K1057 G1148 E1149 E1150	V1042-F1055 CarbonylContact C-O 3.55Å; V1042-F1055 WeakPolarHBondContact CA-O 3.47Å; Y1043-F1055 HydrophobicContact CD1-CB 3.94Å; Y1043-F1055 WeakPolarHBondContact CD1-O 3.4Å; Y1043-F1055 HydrophobicContact CD2-CB 4.47Å; Y1043-F1055 HydrophobicContact CE1-CB 3.41Å; Y1043-F1055 VanDerWaalsContact CE1-CB 3.41Å; Y1043-F1055 HydrophobicContact CE2-CB 4.01Å; Y1043-F1055 HydrophobicContact CE2-CG 4.43Å; Y1043-F1055 HydrophobicContact CG-CB 4.45Å; Y1043-F1055 VanDerWaalsContact CZ-CB 3.44Å; Y1043-F1055 PolarHBondContact N-O 2.98Å; Y1043-F1055 PolarHBondContact O-N 3.46Å; A1045-F1055 HydrophobicContact CB-CD2 3.71Å; A1045-F1055 HydrophobicContact CB-CE2 3.68Å; A1045-F1055 HydrophobicContact CB-CZ 4.46Å; R1046-F1055 WeakPolarHBondContact O-CZ 3.46Å; G1053-F1055 VanDerWaalsContact O-CD2 3.29Å; G1053-F1055 WeakPolarHBondContact O-CD2 3.44Å; G1053-F1055 WeakPolarHBondContact O-CE2 3.29Å; F1055-K1057 PolarHBondContact O-N 3.04Å; F1055-G1148 WeakPolarHBondContact CD1-O 3.46Å; F1055-E1149 WeakPolarHBondContact CA-O 3.43Å; F1055-E1150 HydrophobicContact CD1-CB 3.8Å; F1055-E1150 HydrophobicContact CD1-CG 4.25Å; F1055-E1150 HydrophobicContact CE1-CB 3.48Å; F1055-E1150 VanDerWaalsContact CE1-CB 3.48Å; F1055-E1150 HydrophobicContact CE1-CG 3.83Å; F1055-E1150 HydrophobicContact CE2-CG 4.21Å; F1055-E1150 HydrophobicContact CZ-CB 3.99Å; F1055-E1150 HydrophobicContact CZ-CG 3.79Å
1056	A	98.1	Very high	92.9	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	117.4	175.9	0	0	0	0	0	110.9	Y1043 R1058 I1060 I1145 C1146 G1148 E1149 L1151	Y1043-A1056 WeakPolarHBondContact CE1-O 3.15Å; A1056-R1058 VanDerWaalsContact C-N 3.28Å; A1056-I1060 HydrophobicContact CB-CD1 3.82Å; A1056-I1060 HydrophobicContact CB-CG1 4.32Å; A1056-I1145 HydrophobicContact CB-CG2 3.85Å; A1056-C1146 WeakPolarHBondContact CB-O 3.48Å; A1056-G1148 PolarHBondContact O-N 3.44Å; A1056-E1149 PolarHBondContact N-O 2.98Å; A1056-L1151 HydrophobicContact CB-CD2 4.3Å
1057	K	96	Very high	93.1	Very high	95 Å²	95	58.7 Å²	58.7	41%	0.413	30%	0.298	S	S	.	.	S	Bend	trans	-77.2	-18.3	178.4	-165.6	177.8	-178.2	-176	0	112.8	P1039 N1041 Y1043 F1055 K1147	P1039-K1057 PolarHBondContact O-NZ 3.07Å; N1041-K1057 PolarHBondContact O-N 2.86Å; Y1043-K1057 HydrophobicContact CD1-CB 3.89Å; Y1043-K1057 HydrophobicContact CD1-CG 4.24Å; F1055-K1057 PolarHBondContact O-N 3.04Å; K1057-K1147 WeakPolarHBondContact O-CD 3.1Å; K1057-K1147 WeakPolarHBondContact O-CE 3.42Å; K1057-K1147 WeakPolarHBondContact O-CG 3.5Å
1058	R	95	Very high	93.1	Very high	97 Å²	97	58.6 Å²	58.6	37%	0.366	30%	0.296	S	S	.	.	S	Bend	trans	-146.5	171.6	179.7	62.4	179.6	-175.4	96.9	-15	109.3	N1041 A1056 I1060	N1041-R1058 PolarHBondContact OD1-NE 3.47Å; N1041-R1058 PolarHBondContact OD1-NH2 3.2Å; A1056-R1058 VanDerWaalsContact C-N 3.28Å; R1058-I1060 PolarHBondContact O-N 3.42Å
1059	D	91.7	Very high	93.4	Very high	108 Å²	108	50 Å²	50	58%	0.578	26%	0.258	S	S	*	.			trans	-64.9	131.7	168.6	-60.4	-28.7	0	0	0	109.6	I1145 C1146 K1147	D1059-I1145 WeakPolarHBondContact CA-O 3.45Å; D1059-C1146 WeakPolarHBondContact OD1-CA 3.45Å; D1059-K1147 PolarHBondContact OD1-N 2.98Å
1060	I	94.5	Very high	93.5	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.026	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-114.8	123.2	-179.4	-56.2	174.8	0	0	0	107.8	A1056 R1058 A1064 V1066 P1144 I1145 L1151	A1056-I1060 HydrophobicContact CB-CD1 3.82Å; A1056-I1060 HydrophobicContact CB-CG1 4.32Å; R1058-I1060 PolarHBondContact O-N 3.42Å; I1060-A1064 HydrophobicContact CG2-CB 3.87Å; I1060-V1066 HydrophobicContact CD1-CG1 3.96Å; I1060-V1066 HydrophobicContact CD1-CG2 4.34Å; I1060-V1066 HydrophobicContact CG2-CG2 3.99Å; I1060-P1144 WeakPolarHBondContact O-CA 3.48Å; I1060-I1145 HydrophobicContact CB-CB 4.16Å; I1060-I1145 PolarHBondContact N-O 3.33Å; I1060-I1145 PolarHBondContact O-N 2.87Å; I1060-L1151 HydrophobicContact CD1-CD2 4.33Å
1061	E	86.8	Confident	93.8	Very high	155 Å²	155	47.3 Å²	47.3	72%	0.724	25%	0.254	S	S	*	.			trans	-67.4	156.2	176.4	-62.7	-178.2	175.7	0	0	111	A1064 S1141	E1061-A1064 VanDerWaalsContact O-CB 3.3Å; E1061-A1064 WeakPolarHBondContact O-CB 3.45Å; E1061-A1064 PolarHBondContact O-N 2.96Å; E1061-S1141 WeakPolarHBondContact O-CB 3.3Å; E1061-S1141 PolarHBondContact O-OG 3.22Å
1062	M	88	Confident	93.9	Very high	99 Å²	99	47.7 Å²	47.7	49%	0.488	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	143.9	173.2	-176.9	179.3	70.9	0	0	111.4	A1064 P1144	M1062-A1064 PolarHBondContact O-N 3.01Å; M1062-P1144 HydrophobicContact CB-CG 4.26Å
1063	N	86	Confident	93.9	Very high	103 Å²	103	47.5 Å²	47.5	55%	0.551	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	17.1	-177.9	-52.9	-34.4	0	0	0	114.6	S1141	N1063-S1141 WeakPolarHBondContact CA-O 3.21Å; N1063-S1141 PolarHBondContact N-O 3.49Å; N1063-S1141 PolarHBondContact N-OG 2.79Å
1064	A	89.9	Confident	93.7	Very high	30 Å²	30	47.9 Å²	47.9	25%	0.248	25%	0.246	C	C	.	.			trans	-78.5	140	172.8	0	0	0	0	0	109.9	I1060 E1061 M1062 V1066 M1140 S1141	I1060-A1064 HydrophobicContact CG2-CB 3.87Å; E1061-A1064 VanDerWaalsContact O-CB 3.3Å; E1061-A1064 WeakPolarHBondContact O-CB 3.45Å; E1061-A1064 PolarHBondContact O-N 2.96Å; M1062-A1064 PolarHBondContact O-N 3.01Å; A1064-V1066 PolarHBondContact O-N 3.05Å; A1064-M1140 CarbonylContact O-C 3.49Å; A1064-M1140 VanDerWaalsContact O-CA 3.26Å; A1064-M1140 WeakPolarHBondContact O-CA 3.27Å; A1064-S1141 PolarHBondContact N-OG 3.16Å; A1064-S1141 PolarHBondContact O-N 3.48Å; A1064-S1141 PolarHBondContact O-OG 3.1Å
1065	M	94	Very high	93.5	Very high	25 Å²	25	53.7 Å²	53.7	12%	0.123	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	126.2	166.2	-63.5	-178.5	-179.6	0	0	108.5	N1030 L1034 I1129 V1138 M1140	N1030-M1065 HydrophobicContact CB-CE 4Å; N1030-M1065 HydrophobicContact CB-SD 3.95Å; L1034-M1065 HydrophobicContact CB-CB 4.03Å; L1034-M1065 HydrophobicContact CB-SD 4.49Å; L1034-M1065 HydrophobicContact CD1-CB 3.86Å; L1034-M1065 WeakPolarHBondContact CD1-O 3.42Å; L1034-M1065 HydrophobicContact CD2-CB 3.98Å; L1034-M1065 HydrophobicContact CD2-SD 4.36Å; L1034-M1065 HydrophobicContact CG-CB 4.17Å; M1065-I1129 HydrophobicContact CE-CD1 3.54Å; M1065-I1129 HydrophobicContact SD-CD1 4.38Å; M1065-V1138 HydrophobicContact CB-CG1 3.98Å; M1065-V1138 HydrophobicContact CG-CG1 3.95Å; M1065-V1138 HydrophobicContact SD-CG1 4.27Å; M1065-M1140 HydrophobicContact CG-CG 4.24Å; M1065-M1140 HydrophobicContact CG-SD 4.15Å
1066	V	95.5	Very high	93.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-54.6	-172.2	-176.8	0	0	0	0	111.6	L1034 N1041 V1042 I1060 A1064 I1139 L1151	L1034-V1066 VanDerWaalsContact CD1-O 3.25Å; L1034-V1066 WeakPolarHBondContact CD1-O 3.32Å; N1041-V1066 HydrophobicContact CB-CG1 4.45Å; N1041-V1066 PolarHBondContact ND2-O 3.07Å; V1042-V1066 HydrophobicContact CG1-CG1 3.61Å; I1060-V1066 HydrophobicContact CD1-CG1 3.96Å; I1060-V1066 HydrophobicContact CD1-CG2 4.34Å; I1060-V1066 HydrophobicContact CG2-CG2 3.99Å; A1064-V1066 PolarHBondContact O-N 3.05Å; V1066-I1139 WeakPolarHBondContact CB-O 3.4Å; V1066-I1139 PolarHBondContact N-O 2.89Å; V1066-L1151 HydrophobicContact CG1-CD1 3.68Å
1067	I	96.9	Very high	92.7	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	150.3	179.2	-168.8	165	0	0	0	110.9	W1038 V1042 L1054 P1112 A1113 I1116 I1139	W1038-I1067 HydrophobicContact CD2-CD1 4.29Å; W1038-I1067 HydrophobicContact CD2-CG1 4.44Å; W1038-I1067 HydrophobicContact CE3-CD1 3.63Å; W1038-I1067 HydrophobicContact CE3-CG1 4.22Å; W1038-I1067 HydrophobicContact CZ3-CD1 4.02Å; V1042-I1067 HydrophobicContact CG2-CD1 4.03Å; L1054-I1067 HydrophobicContact CD2-CD1 4.19Å; L1054-I1067 HydrophobicContact CD2-CG2 4.12Å; I1067-P1112 HydrophobicContact CD1-CB 3.96Å; I1067-P1112 HydrophobicContact CD1-CG 4.35Å; I1067-A1113 HydrophobicContact CD1-CB 4.17Å; I1067-A1113 HydrophobicContact CG1-CB 4.15Å; I1067-A1113 HydrophobicContact CG2-CB 3.81Å; I1067-I1116 HydrophobicContact CG2-CD1 4.06Å; I1067-I1139 HydrophobicContact CG2-CB 3.96Å; I1067-I1139 HydrophobicContact CG2-CG1 3.96Å; I1067-I1139 WeakPolarHBondContact O-CB 3.22Å; I1067-I1139 PolarHBondContact O-N 3.3Å
1068	E	96.4	Very high	92.6	Very high	12 Å²	12	56.7 Å²	56.7	6%	0.056	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	137.7	171.2	-172.9	-170.5	173.1	0	0	110.5	Y1031 K1035 I1070 A1113 R1136	Y1031-E1068 HydrophobicContact CE2-CG 4.44Å; Y1031-E1068 PolarHBondContact OH-OE1 3.45Å; Y1031-E1068 VanDerWaalsContact OH-OE1 3.09Å; Y1031-E1068 PolarHBondContact OH-OE2 3.01Å; K1035-E1068 WeakPolarHBondContact CD-OE2 3.47Å; K1035-E1068 IonicContact NZ-OE2 2.76Å; K1035-E1068 PolarHBondContact NZ-OE2 2.95Å; E1068-I1070 HydrophobicContact CB-CG2 3.95Å; E1068-I1070 HydrophobicContact CG-CG2 3.58Å; E1068-I1070 PolarHBondContact O-N 3.48Å; E1068-A1113 WeakPolarHBondContact O-CB 3.44Å; E1068-R1136 IonicContact OE1-NH1 2.93Å; E1068-R1136 PolarHBondContact OE1-NH1 3.29Å
1069	Y	96.7	Very high	92.5	Very high	9 Å²	9	52.4 Å²	52.4	4%	0.035	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	98.8	169.9	-164.8	-76.7	0	0	0	109.3	F1096 I1104 A1106 A1113 R1114 I1137	Y1069-F1096 HydrophobicContact CD1-CB 3.79Å; Y1069-F1096 HydrophobicContact CD1-CD2 4.1Å; Y1069-F1096 HydrophobicContact CD1-CG 4.22Å; Y1069-F1096 AromaticContact CD2-CD2 3.79Å; Y1069-F1096 HydrophobicContact CD2-CD2 3.79Å; Y1069-F1096 HydrophobicContact CD2-CE2 4.43Å; Y1069-F1096 HydrophobicContact CE1-CB 3.5Å; Y1069-F1096 VanDerWaalsContact CE1-CB 3.5Å; Y1069-F1096 HydrophobicContact CE1-CD2 4.2Å; Y1069-F1096 HydrophobicContact CE1-CG 4.28Å; Y1069-F1096 AromaticContact CE2-CD2 3.87Å; Y1069-F1096 HydrophobicContact CE2-CD2 3.87Å; Y1069-F1096 HydrophobicContact CG-CB 4.46Å; Y1069-F1096 AromaticContact CG-CD2 3.91Å; Y1069-F1096 HydrophobicContact CG-CD2 3.91Å; Y1069-F1096 HydrophobicContact CG-CG 4.44Å; Y1069-I1104 HydrophobicContact CD1-CB 4.44Å; Y1069-I1104 HydrophobicContact CD1-CG2 4.05Å; Y1069-I1104 HydrophobicContact CE1-CG2 4.2Å; Y1069-A1106 HydrophobicContact CE1-CB 3.82Å; Y1069-A1113 HydrophobicContact CD2-CB 3.97Å; Y1069-A1113 HydrophobicContact CG-CB 4.41Å; Y1069-R1114 HydrophobicContact CE2-CB 4.29Å; Y1069-I1137 PolarHBondContact N-O 3.38Å
1070	I	94.3	Very high	92.4	Very high	69 Å²	69	53.4 Å²	53.4	35%	0.354	27%	0.273	S	S	.	.			trans	-103.7	141.9	-176.6	66.5	-178.8	0	0	0	111.9	E1068 A1106 G1110 G1111	E1068-I1070 HydrophobicContact CB-CG2 3.95Å; E1068-I1070 HydrophobicContact CG-CG2 3.58Å; E1068-I1070 PolarHBondContact O-N 3.48Å; I1070-A1106 WeakPolarHBondContact O-CB 3.39Å; I1070-G1110 VanDerWaalsContact O-CA 3.23Å; I1070-G1110 WeakPolarHBondContact O-CA 3.2Å; I1070-G1111 VanDerWaalsContact CG1-CA 3.47Å; I1070-G1111 PolarHBondContact O-N 3.33Å
1071	G	93.3	Very high	92.4	Very high	29 Å²	29	59.9 Å²	59.9	30%	0.299	30%	0.297	S	S	.	.	S	Bend	trans	-178	-174.2	176.2	0	0	0	0	0	110.2	D1105 A1109	G1071-D1105 CarbonylContact C-O 3.54Å; G1071-D1105 WeakPolarHBondContact CA-O 3.43Å; G1071-A1109 WeakPolarHBondContact CA-O 3.43Å
1072	E	93.8	Very high	92.8	Very high	62 Å²	62	53.9 Å²	53.9	29%	0.29	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	120.9	178.6	-166.6	-175.6	159.4	0	0	110.6	I1074 R1082 I1104 D1105	E1072-I1074 HydrophobicContact CB-CG2 4.37Å; E1072-I1074 HydrophobicContact CG-CG2 3.84Å; E1072-I1074 PolarHBondContact O-N 3.03Å; E1072-R1082 IonicContact OE1-CZ 2.61Å; E1072-R1082 IonicContact OE1-NH1 3.3Å; E1072-R1082 IonicContact OE1-NH2 2.86Å; E1072-R1082 PolarHBondContact OE1-NH2 3.05Å; E1072-R1082 IonicContact OE2-CZ 2.63Å; E1072-R1082 VanDerWaalsContact OE2-CZ 3.3Å; E1072-R1082 IonicContact OE2-NH1 3.92Å; E1072-R1082 PolarHBondContact OE2-NH1 2.85Å; E1072-R1082 IonicContact OE2-NH2 3.8Å; E1072-R1082 PolarHBondContact OE2-NH2 3.44Å; E1072-I1104 CarbonylContact O-C 3.57Å; E1072-D1105 PolarHBondContact N-O 2.89Å; E1072-D1105 PolarHBondContact O-N 3.47Å
1073	V	92.4	Very high	92.9	Very high	73 Å²	73	52.9 Å²	52.9	44%	0.442	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	111.5	177.2	-177.4	0	0	0	0	109.2	L1098 W1102 V1103 I1104	V1073-L1098 HydrophobicContact CG1-CD1 4.03Å; V1073-L1098 HydrophobicContact CG2-CD1 4.36Å; V1073-W1102 HydrophobicContact CG1-CB 4.49Å; V1073-W1102 HydrophobicContact CG1-CD2 4.41Å; V1073-W1102 HydrophobicContact CG1-CE3 3.72Å; V1073-W1102 HydrophobicContact CG1-CZ3 4.32Å; V1073-V1103 CarbonylContact C-O 3.58Å; V1073-V1103 WeakPolarHBondContact CA-O 3.37Å; V1073-I1104 HydrophobicContact CG2-CG1 4.32Å
1074	I	93.1	Very high	93.1	Very high	9 Å²	9	54.3 Å²	54.3	5%	0.046	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	159.2	-176.2	61.4	175.9	0	0	0	110.6	E1072 V1078 A1079 W1102 V1103 D1105	E1072-I1074 HydrophobicContact CB-CG2 4.37Å; E1072-I1074 HydrophobicContact CG-CG2 3.84Å; E1072-I1074 PolarHBondContact O-N 3.03Å; I1074-V1078 HydrophobicContact CB-CB 4.17Å; I1074-V1078 HydrophobicContact CB-CG1 4.22Å; I1074-V1078 HydrophobicContact CD1-CB 4.36Å; I1074-V1078 HydrophobicContact CD1-CG1 4.15Å; I1074-V1078 HydrophobicContact CG2-CG1 4.43Å; I1074-A1079 HydrophobicContact CD1-CB 3.83Å; I1074-A1079 HydrophobicContact CG1-CB 4.22Å; I1074-W1102 WeakPolarHBondContact O-CA 3.46Å; I1074-V1103 PolarHBondContact N-O 3.41Å; I1074-V1103 PolarHBondContact O-N 3Å; I1074-V1103 VanDerWaalsContact O-O 3.13Å; I1074-D1105 HydrophobicContact CD1-CB 3.67Å; I1074-D1105 HydrophobicContact CG1-CB 4.2Å
1075	R	93.5	Very high	93.2	Very high	123 Å²	123	57.5 Å²	57.5	46%	0.464	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	154.4	173.2	-62	-174	177.2	176.5	2.3	111.5	E1077 V1078 A1079 D1101 W1102	R1075-E1077 VanDerWaalsContact C-N 3.26Å; R1075-E1077 WeakPolarHBondContact CB-OE2 3.44Å; R1075-E1077 PolarHBondContact O-N 2.84Å; R1075-V1078 HydrophobicContact CB-CG2 4.36Å; R1075-V1078 WeakPolarHBondContact O-CA 3.47Å; R1075-V1078 WeakPolarHBondContact O-CB 3.47Å; R1075-V1078 PolarHBondContact O-N 3.41Å; R1075-A1079 PolarHBondContact O-N 3.44Å; R1075-D1101 CarbonylContact C-O 3.59Å; R1075-D1101 VanDerWaalsContact CA-O 3.28Å; R1075-D1101 WeakPolarHBondContact CA-O 3.27Å; R1075-W1102 HydrophobicContact CG-CE3 4.15Å; R1075-W1102 HydrophobicContact CG-CH2 4.13Å; R1075-W1102 HydrophobicContact CG-CZ3 3.89Å
1076	N	89.6	Confident	93.2	Very high	30 Å²	30	57 Å²	57	16%	0.16	27%	0.266	C	S	.	.	H	α-helix	trans	-52.8	-40.6	178.7	-82.4	-4.9	0	0	0	113.3	V1078 A1079 E1080 S1100 D1101 V1103	N1076-V1078 PolarHBondContact O-N 3.24Å; N1076-A1079 WeakPolarHBondContact O-CB 3.34Å; N1076-A1079 PolarHBondContact O-N 3.01Å; N1076-A1079 VanDerWaalsContact O-N 3.09Å; N1076-E1080 WeakPolarHBondContact O-CG 3.4Å; N1076-E1080 PolarHBondContact O-N 3.37Å; N1076-S1100 PolarHBondContact ND2-O 2.98Å; N1076-D1101 PolarHBondContact N-O 3.05Å; N1076-V1103 WeakPolarHBondContact OD1-CG2 3.33Å
1077	E	88.9	Confident	92.9	Very high	110 Å²	110	62.2 Å²	62.2	51%	0.514	29%	0.29	S	S	.	.	H	α-helix	trans	-69.5	-19.2	180	-42.8	91.5	162.3	0	0	113	R1075 R1081	R1075-E1077 VanDerWaalsContact C-N 3.26Å; R1075-E1077 WeakPolarHBondContact CB-OE2 3.44Å; R1075-E1077 PolarHBondContact O-N 2.84Å; E1077-R1081 PolarHBondContact O-NE 3.22Å; E1077-R1081 PolarHBondContact O-NH2 3.39Å
1078	V	93.7	Very high	92.5	Very high	39 Å²	39	68.4 Å²	68.4	24%	0.236	32%	0.319	C	S	.	.	H	α-helix	trans	-84.1	-39.9	172.2	-174.9	0	0	0	0	110.1	I1074 R1075 N1076 R1081 R1082	I1074-V1078 HydrophobicContact CB-CB 4.17Å; I1074-V1078 HydrophobicContact CB-CG1 4.22Å; I1074-V1078 HydrophobicContact CD1-CB 4.36Å; I1074-V1078 HydrophobicContact CD1-CG1 4.15Å; I1074-V1078 HydrophobicContact CG2-CG1 4.43Å; R1075-V1078 HydrophobicContact CB-CG2 4.36Å; R1075-V1078 WeakPolarHBondContact O-CA 3.47Å; R1075-V1078 WeakPolarHBondContact O-CB 3.47Å; R1075-V1078 PolarHBondContact O-N 3.41Å; N1076-V1078 PolarHBondContact O-N 3.24Å; V1078-R1081 PolarHBondContact O-N 3.34Å; V1078-R1082 HydrophobicContact CG1-CG 4.39Å; V1078-R1082 WeakPolarHBondContact O-CG 3.47Å; V1078-R1082 PolarHBondContact O-N 3.34Å
1079	A	93.2	Very high	92.2	Very high	6 Å²	6	76 Å²	76	5%	0.05	35%	0.347	C	S	.	.	H	α-helix	trans	-59.4	-50.5	178.7	0	0	0	0	0	111.4	I1074 R1075 N1076 R1081 R1082 E1083 M1095 V1103	I1074-A1079 HydrophobicContact CD1-CB 3.83Å; I1074-A1079 HydrophobicContact CG1-CB 4.22Å; R1075-A1079 PolarHBondContact O-N 3.44Å; N1076-A1079 WeakPolarHBondContact O-CB 3.34Å; N1076-A1079 PolarHBondContact O-N 3.01Å; N1076-A1079 VanDerWaalsContact O-N 3.09Å; A1079-R1081 VanDerWaalsContact C-N 3.32Å; A1079-R1081 PolarHBondContact O-N 3.01Å; A1079-R1082 PolarHBondContact O-N 2.85Å; A1079-E1083 WeakPolarHBondContact O-CB 3.45Å; A1079-E1083 PolarHBondContact O-N 3.2Å; A1079-M1095 HydrophobicContact CB-SD 4.02Å; A1079-V1103 HydrophobicContact CB-CB 4.03Å; A1079-V1103 HydrophobicContact CB-CG1 3.97Å; A1079-V1103 HydrophobicContact CB-CG2 4.28Å
1080	E	90.9	Very high	91.7	Very high	130 Å²	130	83.2 Å²	83.2	61%	0.607	39%	0.386	S	S	*	.	H	α-helix	trans	-55.8	-44.2	177.8	-69.6	169.2	-171.8	0	0	112.4	N1076 R1082 K1084	N1076-E1080 WeakPolarHBondContact O-CG 3.4Å; N1076-E1080 PolarHBondContact O-N 3.37Å; E1080-R1082 PolarHBondContact O-N 3.16Å; E1080-K1084 PolarHBondContact O-N 3.05Å; E1080-K1084 VanDerWaalsContact O-N 3.15Å
1081	R	94.2	Very high	91.3	Very high	140 Å²	140	85.6 Å²	85.6	53%	0.528	39%	0.391	S	S	.	.	H	α-helix	trans	-67.6	-34.3	177.3	-77	-177.7	-69.5	127.3	-2.7	112.9	E1077 V1078 A1079 R1085	E1077-R1081 PolarHBondContact O-NE 3.22Å; E1077-R1081 PolarHBondContact O-NH2 3.39Å; V1078-R1081 PolarHBondContact O-N 3.34Å; A1079-R1081 VanDerWaalsContact C-N 3.32Å; A1079-R1081 PolarHBondContact O-N 3.01Å; R1081-R1085 PolarHBondContact O-N 2.83Å
1082	R	94.1	Very high	90.9	Very high	30 Å²	30	86.5 Å²	86.5	11%	0.113	40%	0.4	C	S	.	.	H	α-helix	trans	-73.4	-42.1	177.7	-77.5	-172.5	-175.2	-167.2	1.3	111.1	E1072 V1078 A1079 E1080 R1085 Y1086 M1095 D1105	E1072-R1082 IonicContact OE1-CZ 2.61Å; E1072-R1082 IonicContact OE1-NH1 3.3Å; E1072-R1082 IonicContact OE1-NH2 2.86Å; E1072-R1082 PolarHBondContact OE1-NH2 3.05Å; E1072-R1082 IonicContact OE2-CZ 2.63Å; E1072-R1082 VanDerWaalsContact OE2-CZ 3.3Å; E1072-R1082 IonicContact OE2-NH1 3.92Å; E1072-R1082 PolarHBondContact OE2-NH1 2.85Å; E1072-R1082 IonicContact OE2-NH2 3.8Å; E1072-R1082 PolarHBondContact OE2-NH2 3.44Å; V1078-R1082 HydrophobicContact CG1-CG 4.39Å; V1078-R1082 WeakPolarHBondContact O-CG 3.47Å; V1078-R1082 PolarHBondContact O-N 3.34Å; A1079-R1082 PolarHBondContact O-N 2.85Å; E1080-R1082 PolarHBondContact O-N 3.16Å; R1082-R1085 PolarHBondContact O-N 2.92Å; R1082-Y1086 HydrophobicContact CB-CD2 4.32Å; R1082-Y1086 HydrophobicContact CB-CE2 3.82Å; R1082-Y1086 WeakPolarHBondContact O-CD2 3.33Å; R1082-Y1086 PolarHBondContact O-N 3.18Å; R1082-M1095 HydrophobicContact CB-CE 3.65Å; R1082-D1105 WeakPolarHBondContact CD-OD2 3.47Å; R1082-D1105 IonicContact CZ-OD2 3.5Å; R1082-D1105 IonicContact NE-OD2 2.81Å; R1082-D1105 IonicContact NH1-OD2 3.84Å; R1082-D1105 PolarHBondContact NH1-OD2 3.42Å
1083	E	91.2	Very high	90.7	Very high	78 Å²	78	85.8 Å²	85.8	36%	0.364	40%	0.4	S	S	.	.	H	α-helix	trans	-55.9	-51.9	175.8	178	167.2	-154.4	0	0	111.3	A1079 R1085 Y1086 Q1087 V1093 M1095	A1079-E1083 WeakPolarHBondContact O-CB 3.45Å; A1079-E1083 PolarHBondContact O-N 3.2Å; E1083-R1085 VanDerWaalsContact C-N 3.29Å; E1083-R1085 PolarHBondContact O-N 3.41Å; E1083-Y1086 PolarHBondContact O-N 3.23Å; E1083-Q1087 HydrophobicContact CG-CG 4.48Å; E1083-Q1087 WeakPolarHBondContact O-CG 3.47Å; E1083-Q1087 PolarHBondContact O-N 2.82Å; E1083-V1093 HydrophobicContact CG-CG1 4.42Å; E1083-V1093 HydrophobicContact CG-CG2 4.34Å; E1083-M1095 HydrophobicContact CB-CE 4.4Å; E1083-M1095 HydrophobicContact CB-SD 4.37Å
1084	K	90.6	Very high	90.7	Very high	133 Å²	133	85.6 Å²	85.6	58%	0.578	39%	0.391	S	S	*	.	H	α-helix	trans	-54.6	-45	175.5	-173.7	175.1	179.9	175	0	112.3	E1080 Y1086 Q1087 E1088	E1080-K1084 PolarHBondContact O-N 3.05Å; E1080-K1084 VanDerWaalsContact O-N 3.15Å; K1084-Y1086 VanDerWaalsContact C-N 3.33Å; K1084-Y1086 PolarHBondContact O-N 2.9Å; K1084-Q1087 PolarHBondContact O-N 3.4Å; K1084-E1088 WeakPolarHBondContact CE-OE1 3.49Å; K1084-E1088 WeakPolarHBondContact O-CB 3.48Å; K1084-E1088 VanDerWaalsContact O-CG 3.28Å; K1084-E1088 WeakPolarHBondContact O-CG 3.48Å; K1084-E1088 PolarHBondContact O-N 3.46Å
1085	R	91.4	Very high	90.7	Very high	96 Å²	96	87.4 Å²	87.4	36%	0.362	40%	0.4	S	S	.	.	H	α-helix	trans	-67.9	-31	179	-165.1	-171.8	-58	135.8	2.6	113.1	R1081 R1082 E1083 R1089	R1081-R1085 PolarHBondContact O-N 2.83Å; R1082-R1085 PolarHBondContact O-N 2.92Å; E1083-R1085 VanDerWaalsContact C-N 3.29Å; E1083-R1085 PolarHBondContact O-N 3.41Å; R1085-R1089 WeakPolarHBondContact O-CD 3.28Å; R1085-R1089 VanDerWaalsContact O-CG 3.26Å; R1085-R1089 WeakPolarHBondContact O-CG 3.29Å; R1085-R1089 PolarHBondContact O-N 3.04Å
1086	Y	94.6	Very high	90.8	Very high	15 Å²	15	83.3 Å²	83.3	6%	0.059	39%	0.386	C	S	.	.	H	α-helix	trans	-74.8	-41.1	176.1	-65.4	-35.7	0	0	0	111.1	R1082 E1083 K1084 R1089 N1090 R1091 V1093 M1095 D1105 T1107 M1108	R1082-Y1086 HydrophobicContact CB-CD2 4.32Å; R1082-Y1086 HydrophobicContact CB-CE2 3.82Å; R1082-Y1086 WeakPolarHBondContact O-CD2 3.33Å; R1082-Y1086 PolarHBondContact O-N 3.18Å; E1083-Y1086 PolarHBondContact O-N 3.23Å; K1084-Y1086 VanDerWaalsContact C-N 3.33Å; K1084-Y1086 PolarHBondContact O-N 2.9Å; Y1086-R1089 CarbonylContact O-C 3.56Å; Y1086-R1089 WeakPolarHBondContact O-CA 3.25Å; Y1086-R1089 PolarHBondContact O-N 3.39Å; Y1086-R1089 VanDerWaalsContact O-N 3.09Å; Y1086-N1090 PolarHBondContact O-N 3.1Å; Y1086-R1091 PolarHBondContact O-N 3.05Å; Y1086-V1093 HydrophobicContact CD2-CG2 4.45Å; Y1086-M1095 HydrophobicContact CD2-CE 4.03Å; Y1086-M1095 HydrophobicContact CE2-CE 3.78Å; Y1086-D1105 PolarHBondContact OH-OD2 3.05Å; Y1086-T1107 HydrophobicContact CD1-CG2 4.29Å; Y1086-T1107 HydrophobicContact CD2-CG2 3.7Å; Y1086-T1107 HydrophobicContact CE1-CG2 4.23Å; Y1086-T1107 HydrophobicContact CE2-CG2 3.63Å; Y1086-T1107 HydrophobicContact CG-CG2 4.05Å; Y1086-M1108 HydrophobicContact CE1-CG 4.03Å; Y1086-M1108 HydrophobicContact CE1-SD 4.17Å; Y1086-M1108 WeakPolarHBondContact OH-CG 3.41Å
1087	Q	87.4	Confident	90.8	Very high	110 Å²	110	89.1 Å²	89.1	51%	0.514	41%	0.406	S	S	.	.	H	α-helix	trans	-61	-46.7	173.2	-69.4	171.5	-8.7	0	0	111.6	E1083 K1084 R1089 N1090	E1083-Q1087 HydrophobicContact CG-CG 4.48Å; E1083-Q1087 WeakPolarHBondContact O-CG 3.47Å; E1083-Q1087 PolarHBondContact O-N 2.82Å; K1084-Q1087 PolarHBondContact O-N 3.4Å; Q1087-R1089 PolarHBondContact O-N 3.07Å; Q1087-N1090 PolarHBondContact O-N 3.11Å; Q1087-N1090 PolarHBondContact O-OD1 3.36Å
1088	E	89.9	Confident	90.8	Very high	133 Å²	133	84.6 Å²	84.6	62%	0.621	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-22.3	173.6	-75.3	168.6	-173	0	0	113.4	K1084	K1084-E1088 WeakPolarHBondContact CE-OE1 3.49Å; K1084-E1088 WeakPolarHBondContact O-CB 3.48Å; K1084-E1088 VanDerWaalsContact O-CG 3.28Å; K1084-E1088 WeakPolarHBondContact O-CG 3.48Å; K1084-E1088 PolarHBondContact O-N 3.46Å
1089	R	90.6	Very high	90.6	Very high	173 Å²	173	85.2 Å²	85.2	65%	0.653	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	11.4	179.4	-65.7	176	-177.4	-173.5	0.6	112.8	R1085 Y1086 Q1087 R1091	R1085-R1089 WeakPolarHBondContact O-CD 3.28Å; R1085-R1089 VanDerWaalsContact O-CG 3.26Å; R1085-R1089 WeakPolarHBondContact O-CG 3.29Å; R1085-R1089 PolarHBondContact O-N 3.04Å; Y1086-R1089 CarbonylContact O-C 3.56Å; Y1086-R1089 WeakPolarHBondContact O-CA 3.25Å; Y1086-R1089 PolarHBondContact O-N 3.39Å; Y1086-R1089 VanDerWaalsContact O-N 3.09Å; Q1087-R1089 PolarHBondContact O-N 3.07Å; R1089-R1091 PolarHBondContact O-N 3.44Å
1090	N	84.8	Confident	90.2	Very high	160 Å²	160	89.4 Å²	89.4	86%	0.856	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	42.2	-175.9	-69.5	-27	0	0	0	112.8	Y1086 Q1087	Y1086-N1090 PolarHBondContact O-N 3.1Å; Q1087-N1090 PolarHBondContact O-N 3.11Å; Q1087-N1090 PolarHBondContact O-OD1 3.36Å
1091	R	86.9	Confident	90	Very high	119 Å²	119	87.9 Å²	87.9	45%	0.449	41%	0.412	S	S	.	.			trans	-104.5	132.4	179.5	176.1	175	-65.3	-89.8	-5.9	109.9	Y1086 R1089 V1093 T1107	Y1086-R1091 PolarHBondContact O-N 3.05Å; R1089-R1091 PolarHBondContact O-N 3.44Å; R1091-V1093 PolarHBondContact O-N 2.97Å; R1091-T1107 HydrophobicContact CG-CG2 4.11Å
1092	G	83.7	Confident	89.9	Confident	47 Å²	47	86 Å²	86	49%	0.485	41%	0.405	S	S	.	.			trans	-58.9	134	171.8	0	0	0	0	0	111.7	T1107	G1092-T1107 VanDerWaalsContact O-CG2 3.31Å; G1092-T1107 WeakPolarHBondContact O-CG2 3.42Å
1093	V	89.8	Confident	89.9	Confident	48 Å²	48	85 Å²	85	29%	0.291	40%	0.402	S	S	.	.			trans	-96.5	130.9	-177.5	-178.8	0	0	0	0	108.9	E1083 Y1086 R1091 M1095	E1083-V1093 HydrophobicContact CG-CG1 4.42Å; E1083-V1093 HydrophobicContact CG-CG2 4.34Å; Y1086-V1093 HydrophobicContact CD2-CG2 4.45Å; R1091-V1093 PolarHBondContact O-N 2.97Å; V1093-M1095 HydrophobicContact CG1-CB 4.25Å; V1093-M1095 HydrophobicContact CG1-CE 4.22Å; V1093-M1095 HydrophobicContact CG1-CG 3.77Å; V1093-M1095 HydrophobicContact CG1-SD 3.93Å
1094	Y	93.2	Very high	90.1	Very high	68 Å²	68	81.6 Å²	81.6	27%	0.267	39%	0.386	S	S	.	.			trans	-126.1	79	178.3	-63	-86.9	0	0	0	109	A1106 T1107 R1114	Y1094-A1106 WeakPolarHBondContact O-CA 3.25Å; Y1094-A1106 WeakPolarHBondContact O-CB 3.33Å; Y1094-A1106 PolarHBondContact O-N 3Å; Y1094-T1107 PolarHBondContact N-OG1 3.25Å; Y1094-R1114 HydrophobicContact CD1-CB 3.84Å; Y1094-R1114 HydrophobicContact CD1-CG 4.1Å; Y1094-R1114 WeakPolarHBondContact CD1-O 3.46Å; Y1094-R1114 HydrophobicContact CE1-CG 4.39Å; Y1094-R1114 VanDerWaalsContact CE1-O 3.26Å; Y1094-R1114 WeakPolarHBondContact CE1-O 3.41Å; Y1094-R1114 HydrophobicContact CG-CB 4.23Å; Y1094-R1114 HydrophobicContact CG-CG 4.45Å
1095	M	93.2	Very high	90.4	Very high	48 Å²	48	75.3 Å²	75.3	24%	0.236	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.4	-178.5	-70.3	-177.3	-177.5	0	0	110.6	A1079 R1082 E1083 Y1086 V1093 V1103 I1104 D1105	A1079-M1095 HydrophobicContact CB-SD 4.02Å; R1082-M1095 HydrophobicContact CB-CE 3.65Å; E1083-M1095 HydrophobicContact CB-CE 4.4Å; E1083-M1095 HydrophobicContact CB-SD 4.37Å; Y1086-M1095 HydrophobicContact CD2-CE 4.03Å; Y1086-M1095 HydrophobicContact CE2-CE 3.78Å; V1093-M1095 HydrophobicContact CG1-CB 4.25Å; V1093-M1095 HydrophobicContact CG1-CE 4.22Å; V1093-M1095 HydrophobicContact CG1-CG 3.77Å; V1093-M1095 HydrophobicContact CG1-SD 3.93Å; M1095-V1103 HydrophobicContact CB-CG1 3.83Å; M1095-V1103 HydrophobicContact CG-CG1 4.22Å; M1095-V1103 HydrophobicContact SD-CG1 4.44Å; M1095-I1104 CarbonylContact C-O 3.54Å; M1095-I1104 VanDerWaalsContact CA-O 3.32Å; M1095-I1104 WeakPolarHBondContact CA-O 3.49Å; M1095-D1105 HydrophobicContact CE-CB 4.32Å; M1095-D1105 HydrophobicContact CG-CB 4.24Å
1096	F	94.1	Very high	90.6	Very high	36 Å²	36	70.8 Å²	70.8	16%	0.158	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	118	179.5	-158.9	-58.1	0	0	0	109.7	Y1069 L1098 V1103 I1104 A1126 I1137 Y1153	Y1069-F1096 HydrophobicContact CD1-CB 3.79Å; Y1069-F1096 HydrophobicContact CD1-CD2 4.1Å; Y1069-F1096 HydrophobicContact CD1-CG 4.22Å; Y1069-F1096 AromaticContact CD2-CD2 3.79Å; Y1069-F1096 HydrophobicContact CD2-CD2 3.79Å; Y1069-F1096 HydrophobicContact CD2-CE2 4.43Å; Y1069-F1096 HydrophobicContact CE1-CB 3.5Å; Y1069-F1096 VanDerWaalsContact CE1-CB 3.5Å; Y1069-F1096 HydrophobicContact CE1-CD2 4.2Å; Y1069-F1096 HydrophobicContact CE1-CG 4.28Å; Y1069-F1096 AromaticContact CE2-CD2 3.87Å; Y1069-F1096 HydrophobicContact CE2-CD2 3.87Å; Y1069-F1096 HydrophobicContact CG-CB 4.46Å; Y1069-F1096 AromaticContact CG-CD2 3.91Å; Y1069-F1096 HydrophobicContact CG-CD2 3.91Å; Y1069-F1096 HydrophobicContact CG-CG 4.44Å; F1096-L1098 PolarHBondContact O-N 2.87Å; F1096-V1103 CarbonylContact O-C 3.58Å; F1096-V1103 WeakPolarHBondContact O-CA 3.06Å; F1096-I1104 HydrophobicContact CB-CB 4.31Å; F1096-I1104 PolarHBondContact N-O 2.98Å; F1096-I1104 PolarHBondContact O-N 3.49Å; F1096-A1126 HydrophobicContact CE2-CB 3.99Å; F1096-A1126 HydrophobicContact CZ-CB 3.5Å; F1096-I1137 HydrophobicContact CD1-CD1 4.3Å; F1096-I1137 HydrophobicContact CD1-CG1 3.88Å; F1096-I1137 HydrophobicContact CD1-CG2 4.25Å; F1096-I1137 HydrophobicContact CD2-CG2 4.3Å; F1096-I1137 HydrophobicContact CE1-CD1 3.98Å; F1096-I1137 HydrophobicContact CE1-CG1 3.98Å; F1096-I1137 HydrophobicContact CE1-CG2 3.91Å; F1096-I1137 HydrophobicContact CE2-CG2 3.93Å; F1096-I1137 HydrophobicContact CG-CG2 4.48Å; F1096-I1137 HydrophobicContact CZ-CG2 3.76Å; F1096-Y1153 AromaticContact CE2-CE2 3.9Å; F1096-Y1153 HydrophobicContact CE2-CE2 3.9Å; F1096-Y1153 AromaticContact CE2-CZ 3.84Å; F1096-Y1153 WeakPolarHBondContact CE2-OH 3.42Å; F1096-Y1153 HydrophobicContact CZ-CE2 4.45Å
1097	R	91.4	Very high	90.5	Very high	153 Å²	153	70.2 Å²	70.2	58%	0.577	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	122.1	-179.2	-168	176.6	-76.5	160.9	-3.1	110.8	D1099 V1103 D1158	R1097-D1099 VanDerWaalsContact CG-O 3.25Å; R1097-D1099 WeakPolarHBondContact CG-O 3.06Å; R1097-V1103 HydrophobicContact CB-CG2 4.23Å; R1097-V1103 HydrophobicContact CG-CG2 4.18Å; R1097-D1158 IonicContact NH1-OD2 3.67Å; R1097-D1158 PolarHBondContact NH1-OD2 3.2Å
1098	L	88.7	Confident	90.5	Very high	15 Å²	15	70.5 Å²	70.5	8%	0.079	34%	0.343	C	S	.	.			trans	-84.7	-44.5	176.7	-98	156.8	0	0	0	111.1	V1073 F1096 W1102 I1104 A1135 I1137	V1073-L1098 HydrophobicContact CG1-CD1 4.03Å; V1073-L1098 HydrophobicContact CG2-CD1 4.36Å; F1096-L1098 PolarHBondContact O-N 2.87Å; L1098-W1102 HydrophobicContact CB-CB 4.1Å; L1098-W1102 WeakPolarHBondContact CB-O 3.39Å; L1098-W1102 HydrophobicContact CD1-CB 4.41Å; L1098-W1102 PolarHBondContact N-O 3.38Å; L1098-I1104 HydrophobicContact CD1-CD1 3.73Å; L1098-I1104 HydrophobicContact CD1-CG1 3.31Å; L1098-I1104 HydrophobicContact CD2-CD1 4.36Å; L1098-I1104 HydrophobicContact CG-CD1 3.83Å; L1098-I1104 HydrophobicContact CG-CG1 3.78Å; L1098-A1135 HydrophobicContact CD2-CB 3.65Å; L1098-A1135 WeakPolarHBondContact CD2-O 3.44Å; L1098-I1137 HydrophobicContact CD2-CD1 4.1Å; L1098-I1137 HydrophobicContact CD2-CG1 4.04Å; L1098-I1137 HydrophobicContact CG-CG1 4.33Å
1099	D	87.9	Confident	90.2	Very high	52 Å²	52	67.5 Å²	67.5	28%	0.278	34%	0.34	S	S	.	.	S	Bend	trans	-162.5	-164.6	178.3	55.2	48	0	0	0	110.9	R1097 D1101 W1102 R1128	R1097-D1099 VanDerWaalsContact CG-O 3.25Å; R1097-D1099 WeakPolarHBondContact CG-O 3.06Å; D1099-D1101 PolarHBondContact O-N 3.14Å; D1099-D1101 WeakPolarHBondContact OD1-CA 3.38Å; D1099-D1101 PolarHBondContact OD1-N 3.08Å; D1099-W1102 PolarHBondContact N-O 3.49Å; D1099-W1102 PolarHBondContact OD1-N 3.48Å; D1099-R1128 IonicContact OD2-NH2 3.7Å
1100	S	84.8	Confident	90.2	Very high	94 Å²	94	61 Å²	61	66%	0.657	33%	0.328	S	S	*	.	S	Bend	trans	-67.3	-14.4	-179.9	61.3	0	0	0	0	114.4	N1076	N1076-S1100 PolarHBondContact ND2-O 2.98Å
1101	D	87.1	Confident	90.4	Very high	97 Å²	97	53.8 Å²	53.8	52%	0.519	29%	0.291	S	S	.	.	S	Bend	trans	-119.2	-26.4	-172.6	-64.2	-0.8	0	0	0	111.9	R1075 N1076 D1099	R1075-D1101 CarbonylContact C-O 3.59Å; R1075-D1101 VanDerWaalsContact CA-O 3.28Å; R1075-D1101 WeakPolarHBondContact CA-O 3.27Å; N1076-D1101 PolarHBondContact N-O 3.05Å; D1099-D1101 PolarHBondContact O-N 3.14Å; D1099-D1101 WeakPolarHBondContact OD1-CA 3.38Å; D1099-D1101 PolarHBondContact OD1-N 3.08Å
1102	W	91.9	Very high	90.8	Very high	102 Å²	102	50.1 Å²	50.1	39%	0.386	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	143.2	-170.8	-60.1	95.4	0	0	0	114.2	V1073 I1074 R1075 L1098 D1099	V1073-W1102 HydrophobicContact CG1-CB 4.49Å; V1073-W1102 HydrophobicContact CG1-CD2 4.41Å; V1073-W1102 HydrophobicContact CG1-CE3 3.72Å; V1073-W1102 HydrophobicContact CG1-CZ3 4.32Å; I1074-W1102 WeakPolarHBondContact O-CA 3.46Å; R1075-W1102 HydrophobicContact CG-CE3 4.15Å; R1075-W1102 HydrophobicContact CG-CH2 4.13Å; R1075-W1102 HydrophobicContact CG-CZ3 3.89Å; L1098-W1102 HydrophobicContact CB-CB 4.1Å; L1098-W1102 WeakPolarHBondContact CB-O 3.39Å; L1098-W1102 HydrophobicContact CD1-CB 4.41Å; L1098-W1102 PolarHBondContact N-O 3.38Å; D1099-W1102 PolarHBondContact N-O 3.49Å; D1099-W1102 PolarHBondContact OD1-N 3.48Å
1103	V	94.1	Very high	91.4	Very high	8 Å²	8	47.9 Å²	47.9	5%	0.048	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	143.9	177.4	163.7	0	0	0	0	109.8	V1073 I1074 N1076 A1079 M1095 F1096 R1097	V1073-V1103 CarbonylContact C-O 3.58Å; V1073-V1103 WeakPolarHBondContact CA-O 3.37Å; I1074-V1103 PolarHBondContact N-O 3.41Å; I1074-V1103 PolarHBondContact O-N 3Å; I1074-V1103 VanDerWaalsContact O-O 3.13Å; N1076-V1103 WeakPolarHBondContact OD1-CG2 3.33Å; A1079-V1103 HydrophobicContact CB-CB 4.03Å; A1079-V1103 HydrophobicContact CB-CG1 3.97Å; A1079-V1103 HydrophobicContact CB-CG2 4.28Å; M1095-V1103 HydrophobicContact CB-CG1 3.83Å; M1095-V1103 HydrophobicContact CG-CG1 4.22Å; M1095-V1103 HydrophobicContact SD-CG1 4.44Å; F1096-V1103 CarbonylContact O-C 3.58Å; F1096-V1103 WeakPolarHBondContact O-CA 3.06Å; R1097-V1103 HydrophobicContact CB-CG2 4.23Å; R1097-V1103 HydrophobicContact CG-CG2 4.18Å
1104	I	96	Very high	91.7	Very high	6 Å²	6	47.5 Å²	47.5	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	112.1	171.3	-53.4	173.7	0	0	0	108.7	Y1069 E1072 V1073 M1095 F1096 L1098 I1137	Y1069-I1104 HydrophobicContact CD1-CB 4.44Å; Y1069-I1104 HydrophobicContact CD1-CG2 4.05Å; Y1069-I1104 HydrophobicContact CE1-CG2 4.2Å; E1072-I1104 CarbonylContact O-C 3.57Å; V1073-I1104 HydrophobicContact CG2-CG1 4.32Å; M1095-I1104 CarbonylContact C-O 3.54Å; M1095-I1104 VanDerWaalsContact CA-O 3.32Å; M1095-I1104 WeakPolarHBondContact CA-O 3.49Å; F1096-I1104 HydrophobicContact CB-CB 4.31Å; F1096-I1104 PolarHBondContact N-O 2.98Å; F1096-I1104 PolarHBondContact O-N 3.49Å; L1098-I1104 HydrophobicContact CD1-CD1 3.73Å; L1098-I1104 HydrophobicContact CD1-CG1 3.31Å; L1098-I1104 HydrophobicContact CD2-CD1 4.36Å; L1098-I1104 HydrophobicContact CG-CD1 3.83Å; L1098-I1104 HydrophobicContact CG-CG1 3.78Å; I1104-I1137 HydrophobicContact CD1-CB 4.12Å; I1104-I1137 HydrophobicContact CD1-CG1 3.74Å
1105	D	96.3	Very high	91.8	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.011	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	103.3	175.6	180	11.6	0	0	0	111.2	G1071 E1072 I1074 R1082 Y1086 M1095 T1107	G1071-D1105 CarbonylContact C-O 3.54Å; G1071-D1105 WeakPolarHBondContact CA-O 3.43Å; E1072-D1105 PolarHBondContact N-O 2.89Å; E1072-D1105 PolarHBondContact O-N 3.47Å; I1074-D1105 HydrophobicContact CD1-CB 3.67Å; I1074-D1105 HydrophobicContact CG1-CB 4.2Å; R1082-D1105 WeakPolarHBondContact CD-OD2 3.47Å; R1082-D1105 IonicContact CZ-OD2 3.5Å; R1082-D1105 IonicContact NE-OD2 2.81Å; R1082-D1105 IonicContact NH1-OD2 3.84Å; R1082-D1105 PolarHBondContact NH1-OD2 3.42Å; Y1086-D1105 PolarHBondContact OH-OD2 3.05Å; M1095-D1105 HydrophobicContact CE-CB 4.32Å; M1095-D1105 HydrophobicContact CG-CB 4.24Å; D1105-T1107 WeakPolarHBondContact OD1-CB 3.44Å; D1105-T1107 PolarHBondContact OD1-N 3.34Å; D1105-T1107 PolarHBondContact OD1-OG1 2.91Å
1106	A	96.6	Very high	92	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.24	C	C	.	.			trans	-96.2	10.2	177.6	0	0	0	0	0	113	Y1069 I1070 Y1094 A1109 R1114	Y1069-A1106 HydrophobicContact CE1-CB 3.82Å; I1070-A1106 WeakPolarHBondContact O-CB 3.39Å; Y1094-A1106 WeakPolarHBondContact O-CA 3.25Å; Y1094-A1106 WeakPolarHBondContact O-CB 3.33Å; Y1094-A1106 PolarHBondContact O-N 3Å; A1106-A1109 WeakPolarHBondContact CA-O 3.33Å; A1106-R1114 HydrophobicContact CB-CB 4.15Å; A1106-R1114 PolarHBondContact O-NH1 3.42Å
1107	T	91.5	Very high	92.1	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.018	24%	0.237	C	C	.	.	S	Bend	trans	-66.1	-48.4	-169.9	-54.5	0	0	0	0	112.3	Y1086 R1091 G1092 Y1094 D1105 R1114	Y1086-T1107 HydrophobicContact CD1-CG2 4.29Å; Y1086-T1107 HydrophobicContact CD2-CG2 3.7Å; Y1086-T1107 HydrophobicContact CE1-CG2 4.23Å; Y1086-T1107 HydrophobicContact CE2-CG2 3.63Å; Y1086-T1107 HydrophobicContact CG-CG2 4.05Å; R1091-T1107 HydrophobicContact CG-CG2 4.11Å; G1092-T1107 VanDerWaalsContact O-CG2 3.31Å; G1092-T1107 WeakPolarHBondContact O-CG2 3.42Å; Y1094-T1107 PolarHBondContact N-OG1 3.25Å; D1105-T1107 WeakPolarHBondContact OD1-CB 3.44Å; D1105-T1107 PolarHBondContact OD1-N 3.34Å; D1105-T1107 PolarHBondContact OD1-OG1 2.91Å; T1107-R1114 PolarHBondContact O-NH1 3.01Å
1108	M	88.4	Confident	92.3	Very high	117 Å²	117	37 Å²	37	58%	0.576	21%	0.211	S	C	*	.	S	Bend	trans	-96.1	-37.7	-178.5	-65	-60.4	-61.4	0	0	112.8	Y1086	Y1086-M1108 HydrophobicContact CE1-CG 4.03Å; Y1086-M1108 HydrophobicContact CE1-SD 4.17Å; Y1086-M1108 WeakPolarHBondContact OH-CG 3.41Å
1109	A	84.2	Confident	92.6	Very high	69 Å²	69	36.6 Å²	36.6	57%	0.57	21%	0.21	S	C	*	.	S	Bend	trans	-136.7	113.7	178.9	0	0	0	0	0	108.6	G1071 A1106	G1071-A1109 WeakPolarHBondContact CA-O 3.43Å; A1106-A1109 WeakPolarHBondContact CA-O 3.33Å
1110	G	89	Confident	92.8	Very high	38 Å²	38	34.6 Å²	34.6	39%	0.392	20%	0.199	S	C	.	.			trans	-165.9	167.2	-177.2	0	0	0	0	0	112.3	I1070	I1070-G1110 VanDerWaalsContact O-CA 3.23Å; I1070-G1110 WeakPolarHBondContact O-CA 3.2Å
1111	G	90.5	Very high	93.2	Very high	8 Å²	8	34.3 Å²	34.3	8%	0.082	19%	0.191	C	C	.	.			trans	-89.8	175.9	-177.4	0	0	0	0	0	113.2	I1070 A1113 R1114	I1070-G1111 VanDerWaalsContact CG1-CA 3.47Å; I1070-G1111 PolarHBondContact O-N 3.33Å; G1111-A1113 PolarHBondContact O-N 3.08Å; G1111-A1113 VanDerWaalsContact O-N 3.09Å; G1111-R1114 VanDerWaalsContact O-CG 3.28Å; G1111-R1114 WeakPolarHBondContact O-CG 3.4Å; G1111-R1114 PolarHBondContact O-N 3.4Å
1112	P	94.8	Very high	93.6	Very high	41 Å²	41	31.1 Å²	31.1	27%	0.266	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-59.7	-21.2	178.1	-26.5	37.4	0	0	0	114.5	W1038 L1054 I1067 R1114 Y1115	W1038-P1112 HydrophobicContact CH2-CG 3.79Å; W1038-P1112 HydrophobicContact CZ3-CB 4.44Å; W1038-P1112 HydrophobicContact CZ3-CG 3.67Å; L1054-P1112 HydrophobicContact CD1-CB 3.74Å; I1067-P1112 HydrophobicContact CD1-CB 3.96Å; I1067-P1112 HydrophobicContact CD1-CG 4.35Å; P1112-R1114 PolarHBondContact O-N 2.99Å; P1112-R1114 VanDerWaalsContact O-N 3.16Å; P1112-Y1115 PolarHBondContact O-N 3.31Å; P1112-Y1115 VanDerWaalsContact O-N 3.11Å
1113	A	96.7	Very high	93.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-57.6	-25.8	176.9	0	0	0	0	0	113.7	I1067 E1068 Y1069 G1111 Y1115 I1116	I1067-A1113 HydrophobicContact CD1-CB 4.17Å; I1067-A1113 HydrophobicContact CG1-CB 4.15Å; I1067-A1113 HydrophobicContact CG2-CB 3.81Å; E1068-A1113 WeakPolarHBondContact O-CB 3.44Å; Y1069-A1113 HydrophobicContact CD2-CB 3.97Å; Y1069-A1113 HydrophobicContact CG-CB 4.41Å; G1111-A1113 PolarHBondContact O-N 3.08Å; G1111-A1113 VanDerWaalsContact O-N 3.09Å; A1113-Y1115 PolarHBondContact O-N 3.43Å; A1113-Y1115 VanDerWaalsContact O-N 3.14Å; A1113-I1116 HydrophobicContact CB-CD1 4.35Å; A1113-I1116 WeakPolarHBondContact O-CG1 3.35Å; A1113-I1116 PolarHBondContact O-N 2.96Å
1114	R	95	Very high	94.1	Very high	41 Å²	41	26 Å²	26	16%	0.155	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-64.2	-14.7	176.8	78.6	-178.4	-118.6	-174.4	-4.3	114.2	Y1069 Y1094 A1106 T1107 G1111 P1112	Y1069-R1114 HydrophobicContact CE2-CB 4.29Å; Y1094-R1114 HydrophobicContact CD1-CB 3.84Å; Y1094-R1114 HydrophobicContact CD1-CG 4.1Å; Y1094-R1114 WeakPolarHBondContact CD1-O 3.46Å; Y1094-R1114 HydrophobicContact CE1-CG 4.39Å; Y1094-R1114 VanDerWaalsContact CE1-O 3.26Å; Y1094-R1114 WeakPolarHBondContact CE1-O 3.41Å; Y1094-R1114 HydrophobicContact CG-CB 4.23Å; Y1094-R1114 HydrophobicContact CG-CG 4.45Å; A1106-R1114 HydrophobicContact CB-CB 4.15Å; A1106-R1114 PolarHBondContact O-NH1 3.42Å; T1107-R1114 PolarHBondContact O-NH1 3.01Å; G1111-R1114 VanDerWaalsContact O-CG 3.28Å; G1111-R1114 WeakPolarHBondContact O-CG 3.4Å; G1111-R1114 PolarHBondContact O-N 3.4Å; P1112-R1114 PolarHBondContact O-N 2.99Å; P1112-R1114 VanDerWaalsContact O-N 3.16Å
1115	Y	95.8	Very high	94	Very high	59 Å²	59	29.3 Å²	29.3	23%	0.231	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-99.2	12.5	179.6	-59	-76	0	0	0	112.9	L1044 L1052 G1053 L1054 P1112 A1113	L1044-Y1115 HydrophobicContact CD1-CD1 4.45Å; L1044-Y1115 HydrophobicContact CD1-CD2 3.65Å; L1044-Y1115 HydrophobicContact CD1-CE2 4.48Å; L1044-Y1115 HydrophobicContact CD1-CG 3.64Å; L1044-Y1115 HydrophobicContact CD2-CD2 4.39Å; L1044-Y1115 HydrophobicContact CD2-CE2 4.44Å; L1052-Y1115 HydrophobicContact CB-CD1 4.04Å; L1052-Y1115 HydrophobicContact CD1-CD1 4.34Å; L1052-Y1115 HydrophobicContact CD1-CE1 4.19Å; G1053-Y1115 WeakPolarHBondContact CA-O 3.24Å; L1054-Y1115 PolarHBondContact N-O 3.23Å; P1112-Y1115 PolarHBondContact O-N 3.31Å; P1112-Y1115 VanDerWaalsContact O-N 3.11Å; A1113-Y1115 PolarHBondContact O-N 3.43Å; A1113-Y1115 VanDerWaalsContact O-N 3.14Å
1116	I	97.3	Very high	94	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-79.4	122.9	173.2	-65.9	164.6	0	0	0	108.6	L1054 I1067 A1113 I1139 L1151 Y1153 Y1155	L1054-I1116 HydrophobicContact CB-CG1 3.71Å; L1054-I1116 HydrophobicContact CD2-CD1 3.91Å; L1054-I1116 HydrophobicContact CD2-CG1 3.73Å; L1054-I1116 HydrophobicContact CG-CG1 4.38Å; I1067-I1116 HydrophobicContact CG2-CD1 4.06Å; A1113-I1116 HydrophobicContact CB-CD1 4.35Å; A1113-I1116 WeakPolarHBondContact O-CG1 3.35Å; A1113-I1116 PolarHBondContact O-N 2.96Å; I1116-I1139 HydrophobicContact CD1-CB 4.37Å; I1116-I1139 HydrophobicContact CD1-CG1 3.84Å; I1116-I1139 HydrophobicContact CD1-CG2 4.02Å; I1116-L1151 WeakPolarHBondContact CG2-O 3.46Å; I1116-Y1153 HydrophobicContact CB-CD1 4.09Å; I1116-Y1153 HydrophobicContact CB-CE1 3.81Å; I1116-Y1153 HydrophobicContact CD1-CE1 4.49Å; I1116-Y1153 HydrophobicContact CG2-CD1 3.32Å; I1116-Y1153 HydrophobicContact CG2-CE1 3.55Å; I1116-Y1153 HydrophobicContact CG2-CG 4.46Å; I1116-Y1155 WeakPolarHBondContact O-CE1 3.36Å; I1116-Y1155 PolarHBondContact O-OH 3.01Å
1117	N	95.9	Very high	93.7	Very high	17 Å²	17	33.6 Å²	33.6	9%	0.091	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	161.8	-177.1	-71.2	-51.4	0	0	0	113.1	S1047 I1049 Q1050 L1052 E1150 T1152 Y1153 Y1155	S1047-N1117 VanDerWaalsContact CB-ND2 3.3Å; S1047-N1117 WeakPolarHBondContact CB-ND2 3.36Å; S1047-N1117 PolarHBondContact OG-ND2 3.36Å; I1049-N1117 HydrophobicContact CB-CB 4.43Å; I1049-N1117 HydrophobicContact CD1-CB 4.26Å; I1049-N1117 HydrophobicContact CG2-CB 4.43Å; Q1050-N1117 PolarHBondContact O-ND2 2.97Å; Q1050-N1117 PolarHBondContact O-OD1 2.98Å; L1052-N1117 PolarHBondContact O-ND2 2.83Å; L1052-N1117 VanDerWaalsContact O-ND2 3.07Å; N1117-E1150 PolarHBondContact ND2-OE1 3.37Å; N1117-T1152 VanDerWaalsContact O-CA 3.29Å; N1117-T1152 WeakPolarHBondContact O-CA 3.4Å; N1117-T1152 WeakPolarHBondContact O-CB 3.43Å; N1117-Y1153 PolarHBondContact O-N 2.99Å; N1117-Y1155 WeakPolarHBondContact CA-OH 3.46Å
1118	H	95.5	Very high	93.6	Very high	7 Å²	7	39.1 Å²	39.1	3%	0.032	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	141.3	172	176.6	92.4	0	0	0	111.8	C1120 Y1153 D1154 Y1155 C1168 M1179	H1118-C1120 PolarHBondContact NE2-SG 3.41Å; H1118-Y1153 WeakPolarHBondContact CA-O 3.38Å; H1118-D1154 IonicContact CE1-OD1 2.69Å; H1118-D1154 PolarHBondContact CE1-OD1 3.45Å; H1118-D1154 VanDerWaalsContact CE1-OD1 3.27Å; H1118-D1154 IonicContact ND1-OD1 3.87Å; H1118-Y1155 HydrophobicContact CB-CD1 4.01Å; H1118-Y1155 HydrophobicContact CB-CD2 3.81Å; H1118-Y1155 HydrophobicContact CB-CE1 4.14Å; H1118-Y1155 HydrophobicContact CB-CE2 3.94Å; H1118-Y1155 HydrophobicContact CB-CG 3.87Å; H1118-Y1155 AromaticContact ND1-CG 3.87Å; H1118-Y1155 PolarHBondContact ND1-N 3.31Å; H1118-C1168 VanDerWaalsContact CD2-SG 3.52Å; H1118-M1179 HydrophobicContact CB-SD 3.88Å
1119	S	94.8	Very high	93.6	Very high	8 Å²	8	33.8 Å²	33.8	6%	0.056	19%	0.193	C	C	.	.			trans	-142.2	140.8	161.5	179.3	0	0	0	0	111.4	D1121 P1122 T1152 Y1153	S1119-D1121 VanDerWaalsContact C-N 3.26Å; S1119-D1121 VanDerWaalsContact OG-C 3.27Å; S1119-D1121 PolarHBondContact OG-N 3.03Å; S1119-D1121 VanDerWaalsContact OG-N 3.09Å; S1119-D1121 PolarHBondContact OG-O 3.18Å; S1119-D1121 VanDerWaalsContact OG-O 3.13Å; S1119-P1122 WeakPolarHBondContact O-CD 3.43Å; S1119-T1152 VanDerWaalsContact CB-CB 3.48Å; S1119-T1152 WeakPolarHBondContact CB-OG1 3.48Å; S1119-Y1153 PolarHBondContact N-O 3.45Å
1120	C	92.7	Very high	93.4	Very high	9 Å²	9	36.3 Å²	36.3	6%	0.061	19%	0.193	C	C	.	.	S	Bend	trans	-73	-17.5	170.4	-68.4	0	0	0	0	113	H1118 A1172 N1174 R1176	H1118-C1120 PolarHBondContact NE2-SG 3.41Å; C1120-A1172 HydrophobicContact CB-CB 4.36Å; C1120-N1174 PolarHBondContact O-ND2 3.4Å; C1120-R1176 PolarHBondContact SG-N 3.37Å; C1120-R1176 VanDerWaalsContact SG-N 3.37Å
1121	D	92.9	Very high	92.8	Very high	89 Å²	89	35.2 Å²	35.2	48%	0.476	18%	0.178	S	C	.	.	S	Bend	trans	-124.4	74.1	168.5	-170	31.2	0	0	0	109.7	S1119 A1172 N1174	S1119-D1121 VanDerWaalsContact C-N 3.26Å; S1119-D1121 VanDerWaalsContact OG-C 3.27Å; S1119-D1121 PolarHBondContact OG-N 3.03Å; S1119-D1121 VanDerWaalsContact OG-N 3.09Å; S1119-D1121 PolarHBondContact OG-O 3.18Å; S1119-D1121 VanDerWaalsContact OG-O 3.13Å; D1121-A1172 HydrophobicContact CB-CB 3.91Å; D1121-N1174 WeakPolarHBondContact CB-OD1 3.48Å
1122	P	96.4	Very high	91.8	Very high	29 Å²	29	39.9 Å²	39.9	19%	0.188	20%	0.201	C	C	.	.			trans	-77.9	156.2	-172.1	30.8	-34.1	0	0	0	112.9	S1119 C1142 T1152 Y1153 D1154	S1119-P1122 WeakPolarHBondContact O-CD 3.43Å; P1122-C1142 PolarHBondContact O-SG 2.96Å; P1122-T1152 VanDerWaalsContact CB-O 3.24Å; P1122-T1152 WeakPolarHBondContact CB-O 3.49Å; P1122-Y1153 VanDerWaalsContact CB-CA 3.48Å; P1122-D1154 HydrophobicContact CG-CB 4.37Å
1123	N	97.1	Very high	90.6	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.016	23%	0.227	C	C	.	.	S	Bend	trans	-101.6	-7.3	171.3	58.7	14.4	0	0	0	113.6	C1142 R1143 I1145 E1149 E1150 L1151 T1152	N1123-C1142 PolarHBondContact O-N 3.37Å; N1123-C1142 PolarHBondContact O-SG 3.41Å; N1123-R1143 HydrophobicContact CB-CG 4.06Å; N1123-I1145 HydrophobicContact CB-CD1 4.11Å; N1123-I1145 HydrophobicContact CB-CG1 4.18Å; N1123-E1149 PolarHBondContact ND2-OE1 2.72Å; N1123-E1150 PolarHBondContact ND2-O 3.13Å; N1123-L1151 WeakPolarHBondContact OD1-CA 3.37Å; N1123-T1152 PolarHBondContact N-O 2.97Å; N1123-T1152 PolarHBondContact OD1-N 3.44Å; N1123-T1152 PolarHBondContact OD1-O 3.47Å
1124	C	98	Very high	89.7	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.007	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	161.8	173.8	-66.9	0	0	0	0	112.7	I1139 M1140 T1152 Y1153	C1124-I1139 HydrophobicContact CB-CG2 3.67Å; C1124-M1140 CarbonylContact C-O 3.58Å; C1124-M1140 WeakPolarHBondContact CA-O 3.49Å; C1124-M1140 WeakPolarHBondContact CB-O 3.47Å; C1124-T1152 WeakPolarHBondContact CA-O 3.25Å; C1124-T1152 WeakPolarHBondContact CB-O 3.39Å; C1124-T1152 PolarHBondContact N-O 3.04Å; C1124-Y1153 WeakPolarHBondContact O-CB 3.34Å
1125	I	95.8	Very high	89.2	Confident	75 Å²	75	52.4 Å²	52.4	39%	0.385	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	150.3	169.4	56.6	170.1	0	0	0	109.3	I1139 M1140 C1142	I1125-I1139 WeakPolarHBondContact O-CA 3.41Å; I1125-M1140 HydrophobicContact CD1-CE 4.01Å; I1125-M1140 HydrophobicContact CG1-CB 4.15Å; I1125-M1140 HydrophobicContact CG1-CE 4.48Å; I1125-M1140 PolarHBondContact N-O 3.21Å; I1125-M1140 PolarHBondContact O-N 3.44Å; I1125-C1142 HydrophobicContact CG2-CB 3.96Å
1126	A	94.6	Very high	89	Confident	39 Å²	39	53.7 Å²	53.7	32%	0.322	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	116.4	169.3	0	0	0	0	0	109.3	F1096 I1137 I1139 Y1153	F1096-A1126 HydrophobicContact CE2-CB 3.99Å; F1096-A1126 HydrophobicContact CZ-CB 3.5Å; A1126-I1137 HydrophobicContact CB-CG2 4.08Å; A1126-I1139 HydrophobicContact CB-CD1 3.97Å; A1126-Y1153 HydrophobicContact CB-CD2 4.49Å
1127	E	90.2	Very high	88.9	Confident	53 Å²	53	54 Å²	54	25%	0.248	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	133	175.2	-172.4	176.9	152.6	0	0	110.2	K1027 I1129 V1138 M1140	K1027-E1127 IonicContact NZ-OE1 2.75Å; K1027-E1127 PolarHBondContact NZ-OE1 2.9Å; E1127-I1129 HydrophobicContact CB-CG1 4.45Å; E1127-I1129 HydrophobicContact CG-CG1 4.18Å; E1127-I1129 PolarHBondContact O-N 2.96Å; E1127-V1138 PolarHBondContact N-O 3.32Å; E1127-V1138 PolarHBondContact O-N 3.03Å; E1127-M1140 HydrophobicContact CB-CE 4.19Å; E1127-M1140 HydrophobicContact CB-SD 4.49Å; E1127-M1140 WeakPolarHBondContact OE2-CE 3.4Å
1128	R	90.8	Very high	88.8	Confident	119 Å²	119	53.2 Å²	53.2	45%	0.449	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	115.2	166.8	-175.5	-178.7	-177.1	-85.4	8.2	109.2	D1099 A1135 R1136 I1137	D1099-R1128 IonicContact OD2-NH2 3.7Å; R1128-A1135 HydrophobicContact CG-CB 4.38Å; R1128-A1135 VanDerWaalsContact CZ-CB 3.43Å; R1128-A1135 VanDerWaalsContact NH2-CB 3.32Å; R1128-R1136 CarbonylContact C-O 3.57Å; R1128-R1136 WeakPolarHBondContact CA-O 3.47Å; R1128-I1137 HydrophobicContact CB-CD1 3.99Å; R1128-I1137 HydrophobicContact CG-CD1 4.33Å
1129	I	86.9	Confident	88.9	Confident	5 Å²	5	52.9 Å²	52.9	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.9	177.6	-47.8	-173.2	0	0	0	108.3	M1065 E1127 L1131 R1136 V1138	M1065-I1129 HydrophobicContact CE-CD1 3.54Å; M1065-I1129 HydrophobicContact SD-CD1 4.38Å; E1127-I1129 HydrophobicContact CB-CG1 4.45Å; E1127-I1129 HydrophobicContact CG-CG1 4.18Å; E1127-I1129 PolarHBondContact O-N 2.96Å; I1129-L1131 HydrophobicContact CG2-CD1 4.26Å; I1129-L1131 HydrophobicContact CG2-CD2 4.13Å; I1129-L1131 HydrophobicContact CG2-CG 3.87Å; I1129-R1136 PolarHBondContact N-O 2.95Å; I1129-R1136 PolarHBondContact O-N 3.15Å; I1129-V1138 HydrophobicContact CD1-CB 3.7Å; I1129-V1138 HydrophobicContact CD1-CG1 4.23Å; I1129-V1138 HydrophobicContact CD1-CG2 3.72Å; I1129-V1138 HydrophobicContact CG1-CB 4.25Å; I1129-V1138 HydrophobicContact CG1-CG2 4.22Å
1130	E	80.2	Confident	88.9	Confident	122 Å²	122	53.4 Å²	53.4	57%	0.57	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	113.9	172.7	-166.8	174.5	167.9	0	0	108.9
1131	L	76.5	Confident	89.1	Confident	14 Å²	14	53 Å²	53	7%	0.073	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.7	179.1	-66.6	168.8	0	0	0	107.7	C1028 Y1031 I1129 R1133 E1134	C1028-L1131 HydrophobicContact CB-CD2 4.3Å; C1028-L1131 WeakPolarHBondContact SG-CD2 3.35Å; Y1031-L1131 HydrophobicContact CD1-CD1 3.37Å; Y1031-L1131 HydrophobicContact CD2-CD1 3.43Å; Y1031-L1131 VanDerWaalsContact CD2-CD1 3.43Å; Y1031-L1131 HydrophobicContact CE1-CD1 3.54Å; Y1031-L1131 HydrophobicContact CE2-CD1 3.6Å; Y1031-L1131 HydrophobicContact CG-CD1 3.28Å; I1129-L1131 HydrophobicContact CG2-CD1 4.26Å; I1129-L1131 HydrophobicContact CG2-CD2 4.13Å; I1129-L1131 HydrophobicContact CG2-CG 3.87Å; L1131-R1133 PolarHBondContact O-N 3.24Å; L1131-R1133 VanDerWaalsContact O-N 3.11Å; L1131-E1134 PolarHBondContact N-O 2.89Å; L1131-E1134 PolarHBondContact O-N 3.45Å; L1131-E1134 VanDerWaalsContact O-O 3.14Å
1132	D	70.3	Confident	89.1	Confident	106 Å²	106	50.4 Å²	50.4	57%	0.567	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	32.8	-178.9	-61.7	-40.5	0	0	0	114.6	E1134	D1132-E1134 PolarHBondContact O-N 3.08Å
1133	R	69	Low	88.8	Confident	218 Å²	218	53.3 Å²	53.3	82%	0.823	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.1	13.3	-174.7	-50.4	178.6	178.5	-178.2	-1	114.6	L1131	L1131-R1133 PolarHBondContact O-N 3.24Å; L1131-R1133 VanDerWaalsContact O-N 3.11Å
1134	E	78.4	Confident	88.5	Confident	105 Å²	105	57.1 Å²	57.1	49%	0.491	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	128.8	169.8	-67	179.2	179	0	0	109.4	L1131 D1132 R1136	L1131-E1134 PolarHBondContact N-O 2.89Å; L1131-E1134 PolarHBondContact O-N 3.45Å; L1131-E1134 VanDerWaalsContact O-O 3.14Å; D1132-E1134 PolarHBondContact O-N 3.08Å; E1134-R1136 IonicContact OE2-CZ 3.45Å; E1134-R1136 IonicContact OE2-NE 2.69Å; E1134-R1136 IonicContact OE2-NH2 3.43Å; E1134-R1136 PolarHBondContact OE2-NH2 2.92Å
1135	A	85.1	Confident	88.5	Confident	23 Å²	23	57.2 Å²	57.2	19%	0.19	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	125.2	174.9	0	0	0	0	0	109.6	L1098 R1128	L1098-A1135 HydrophobicContact CD2-CB 3.65Å; L1098-A1135 WeakPolarHBondContact CD2-O 3.44Å; R1128-A1135 HydrophobicContact CG-CB 4.38Å; R1128-A1135 VanDerWaalsContact CZ-CB 3.43Å; R1128-A1135 VanDerWaalsContact NH2-CB 3.32Å
1136	R	90.8	Very high	88.3	Confident	85 Å²	85	57.5 Å²	57.5	32%	0.321	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	150.4	-179.6	-57.5	-73.9	-177.3	163.1	-7.6	108.9	E1068 R1128 I1129 E1134	E1068-R1136 IonicContact OE1-NH1 2.93Å; E1068-R1136 PolarHBondContact OE1-NH1 3.29Å; R1128-R1136 CarbonylContact C-O 3.57Å; R1128-R1136 WeakPolarHBondContact CA-O 3.47Å; I1129-R1136 PolarHBondContact N-O 2.95Å; I1129-R1136 PolarHBondContact O-N 3.15Å; E1134-R1136 IonicContact OE2-CZ 3.45Å; E1134-R1136 IonicContact OE2-NE 2.69Å; E1134-R1136 IonicContact OE2-NH2 3.43Å; E1134-R1136 PolarHBondContact OE2-NH2 2.92Å
1137	I	94.3	Very high	88.4	Confident	8 Å²	8	62.7 Å²	62.7	4%	0.041	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	123.1	172.8	-61.4	-61.5	0	0	0	109	Y1069 F1096 L1098 I1104 A1126 R1128	Y1069-I1137 PolarHBondContact N-O 3.38Å; F1096-I1137 HydrophobicContact CD1-CD1 4.3Å; F1096-I1137 HydrophobicContact CD1-CG1 3.88Å; F1096-I1137 HydrophobicContact CD1-CG2 4.25Å; F1096-I1137 HydrophobicContact CD2-CG2 4.3Å; F1096-I1137 HydrophobicContact CE1-CD1 3.98Å; F1096-I1137 HydrophobicContact CE1-CG1 3.98Å; F1096-I1137 HydrophobicContact CE1-CG2 3.91Å; F1096-I1137 HydrophobicContact CE2-CG2 3.93Å; F1096-I1137 HydrophobicContact CG-CG2 4.48Å; F1096-I1137 HydrophobicContact CZ-CG2 3.76Å; L1098-I1137 HydrophobicContact CD2-CD1 4.1Å; L1098-I1137 HydrophobicContact CD2-CG1 4.04Å; L1098-I1137 HydrophobicContact CG-CG1 4.33Å; I1104-I1137 HydrophobicContact CD1-CB 4.12Å; I1104-I1137 HydrophobicContact CD1-CG1 3.74Å; A1126-I1137 HydrophobicContact CB-CG2 4.08Å; R1128-I1137 HydrophobicContact CB-CD1 3.99Å; R1128-I1137 HydrophobicContact CG-CD1 4.33Å
1138	V	95.5	Very high	88.6	Confident	0 Å²	0	62 Å²	62	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.9	178.4	176.9	0	0	0	0	109.8	Y1031 L1034 M1065 E1127 I1129 M1140	Y1031-V1138 HydrophobicContact CD2-CG2 3.97Å; Y1031-V1138 HydrophobicContact CE2-CG2 3.83Å; L1034-V1138 HydrophobicContact CD2-CG1 3.71Å; L1034-V1138 HydrophobicContact CD2-CG2 4.33Å; M1065-V1138 HydrophobicContact CB-CG1 3.98Å; M1065-V1138 HydrophobicContact CG-CG1 3.95Å; M1065-V1138 HydrophobicContact SD-CG1 4.27Å; E1127-V1138 PolarHBondContact N-O 3.32Å; E1127-V1138 PolarHBondContact O-N 3.03Å; I1129-V1138 HydrophobicContact CD1-CB 3.7Å; I1129-V1138 HydrophobicContact CD1-CG1 4.23Å; I1129-V1138 HydrophobicContact CD1-CG2 3.72Å; I1129-V1138 HydrophobicContact CG1-CB 4.25Å; I1129-V1138 HydrophobicContact CG1-CG2 4.22Å; V1138-M1140 HydrophobicContact CG1-CG 4.26Å
1139	I	96.7	Very high	88.9	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	121.9	175	-51	-55.2	0	0	0	108.5	V1066 I1067 I1116 C1124 I1125 A1126 Y1153	V1066-I1139 WeakPolarHBondContact CB-O 3.4Å; V1066-I1139 PolarHBondContact N-O 2.89Å; I1067-I1139 HydrophobicContact CG2-CB 3.96Å; I1067-I1139 HydrophobicContact CG2-CG1 3.96Å; I1067-I1139 WeakPolarHBondContact O-CB 3.22Å; I1067-I1139 PolarHBondContact O-N 3.3Å; I1116-I1139 HydrophobicContact CD1-CB 4.37Å; I1116-I1139 HydrophobicContact CD1-CG1 3.84Å; I1116-I1139 HydrophobicContact CD1-CG2 4.02Å; C1124-I1139 HydrophobicContact CB-CG2 3.67Å; I1125-I1139 WeakPolarHBondContact O-CA 3.41Å; A1126-I1139 HydrophobicContact CB-CD1 3.97Å; I1139-Y1153 HydrophobicContact CD1-CD1 4.16Å; I1139-Y1153 HydrophobicContact CD1-CE1 4.07Å
1140	M	95.4	Very high	89.4	Confident	18 Å²	18	59.6 Å²	59.6	9%	0.089	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	147.7	178	-56.7	-159.2	-44.5	0	0	111.6	A1064 M1065 C1124 I1125 E1127 V1138	A1064-M1140 CarbonylContact O-C 3.49Å; A1064-M1140 VanDerWaalsContact O-CA 3.26Å; A1064-M1140 WeakPolarHBondContact O-CA 3.27Å; M1065-M1140 HydrophobicContact CG-CG 4.24Å; M1065-M1140 HydrophobicContact CG-SD 4.15Å; C1124-M1140 CarbonylContact C-O 3.58Å; C1124-M1140 WeakPolarHBondContact CA-O 3.49Å; C1124-M1140 WeakPolarHBondContact CB-O 3.47Å; I1125-M1140 HydrophobicContact CD1-CE 4.01Å; I1125-M1140 HydrophobicContact CG1-CB 4.15Å; I1125-M1140 HydrophobicContact CG1-CE 4.48Å; I1125-M1140 PolarHBondContact N-O 3.21Å; I1125-M1140 PolarHBondContact O-N 3.44Å; E1127-M1140 HydrophobicContact CB-CE 4.19Å; E1127-M1140 HydrophobicContact CB-SD 4.49Å; E1127-M1140 WeakPolarHBondContact OE2-CE 3.4Å; V1138-M1140 HydrophobicContact CG1-CG 4.26Å
1141	S	95.5	Very high	90.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	133.7	173.3	58	0	0	0	0	110.9	E1061 N1063 A1064	E1061-S1141 WeakPolarHBondContact O-CB 3.3Å; E1061-S1141 PolarHBondContact O-OG 3.22Å; N1063-S1141 WeakPolarHBondContact CA-O 3.21Å; N1063-S1141 PolarHBondContact N-O 3.49Å; N1063-S1141 PolarHBondContact N-OG 2.79Å; A1064-S1141 PolarHBondContact N-OG 3.16Å; A1064-S1141 PolarHBondContact O-N 3.48Å; A1064-S1141 PolarHBondContact O-OG 3.1Å
1142	C	93.2	Very high	91.3	Very high	36 Å²	36	53.6 Å²	53.6	24%	0.243	27%	0.268	C	S	.	.	S	Bend	trans	-101.2	-5.6	175.3	68.6	0	0	0	0	112.9	P1122 N1123 I1125	P1122-C1142 PolarHBondContact O-SG 2.96Å; N1123-C1142 PolarHBondContact O-N 3.37Å; N1123-C1142 PolarHBondContact O-SG 3.41Å; I1125-C1142 HydrophobicContact CG2-CB 3.96Å
1143	R	91.6	Very high	92.6	Very high	90 Å²	90	49.3 Å²	49.3	34%	0.34	25%	0.245	S	C	.	.	S	Bend	trans	-148.9	168.8	170.2	63	168.1	174.6	88.5	-10.4	110.1	N1123 I1145 E1149	N1123-R1143 HydrophobicContact CB-CG 4.06Å; R1143-I1145 WeakPolarHBondContact O-CG1 3.22Å; R1143-E1149 IonicContact CZ-OE1 3.84Å; R1143-E1149 IonicContact NH1-OE1 3.33Å; R1143-E1149 PolarHBondContact NH1-OE1 2.85Å; R1143-E1149 IonicContact NH1-OE2 3.4Å; R1143-E1149 PolarHBondContact NH1-OE2 3.23Å; R1143-E1149 IonicContact NH2-OE1 2.73Å; R1143-E1149 PolarHBondContact NH2-OE1 3.08Å
1144	P	89.7	Confident	93.7	Very high	83 Å²	83	40.5 Å²	40.5	54%	0.539	21%	0.214	S	C	.	.			trans	-59.7	138.2	167.1	-20.8	34.4	0	0	0	110.6	I1060 M1062	I1060-P1144 WeakPolarHBondContact O-CA 3.48Å; M1062-P1144 HydrophobicContact CB-CG 4.26Å
1145	I	97.1	Very high	94.4	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-122	127.3	-178.1	-49.4	-178.4	0	0	0	107.9	A1056 D1059 I1060 N1123 R1143 E1149 L1151	A1056-I1145 HydrophobicContact CB-CG2 3.85Å; D1059-I1145 WeakPolarHBondContact CA-O 3.45Å; I1060-I1145 HydrophobicContact CB-CB 4.16Å; I1060-I1145 PolarHBondContact N-O 3.33Å; I1060-I1145 PolarHBondContact O-N 2.87Å; N1123-I1145 HydrophobicContact CB-CD1 4.11Å; N1123-I1145 HydrophobicContact CB-CG1 4.18Å; R1143-I1145 WeakPolarHBondContact O-CG1 3.22Å; I1145-E1149 HydrophobicContact CG2-CB 3.77Å; I1145-E1149 HydrophobicContact CG2-CG 4.17Å; I1145-L1151 HydrophobicContact CD1-CD2 3.54Å; I1145-L1151 HydrophobicContact CG2-CD2 3.97Å
1146	C	92.8	Very high	94.4	Very high	81 Å²	81	44.7 Å²	44.7	55%	0.547	23%	0.227	S	C	.	.			trans	-78.8	149.3	179.7	-70.7	0	0	0	0	111.1	A1056 D1059 G1148 E1149	A1056-C1146 WeakPolarHBondContact CB-O 3.48Å; D1059-C1146 WeakPolarHBondContact OD1-CA 3.45Å; C1146-G1148 PolarHBondContact O-N 3.47Å; C1146-E1149 PolarHBondContact N-OE2 3.09Å; C1146-E1149 WeakPolarHBondContact O-CB 3.43Å; C1146-E1149 PolarHBondContact O-N 2.98Å
1147	K	96.5	Very high	94	Very high	149 Å²	149	45.1 Å²	45.1	65%	0.648	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.7	129.7	169.1	178.3	178.8	177	-168.3	0	110.4	K1057 D1059	K1057-K1147 WeakPolarHBondContact O-CD 3.1Å; K1057-K1147 WeakPolarHBondContact O-CE 3.42Å; K1057-K1147 WeakPolarHBondContact O-CG 3.5Å; D1059-K1147 PolarHBondContact OD1-N 2.98Å
1148	G	94.9	Very high	93.3	Very high	37 Å²	37	50.1 Å²	50.1	38%	0.381	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	-6.8	-180	0	0	0	0	0	114.4	F1055 A1056 C1146	F1055-G1148 WeakPolarHBondContact CD1-O 3.46Å; A1056-G1148 PolarHBondContact O-N 3.44Å; C1146-G1148 PolarHBondContact O-N 3.47Å
1149	E	96.9	Very high	92.4	Very high	48 Å²	48	58.6 Å²	58.6	22%	0.224	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-74.8	141.7	177	-163.2	-175.5	150.1	0	0	111.5	F1055 A1056 N1123 R1143 I1145 C1146	F1055-E1149 WeakPolarHBondContact CA-O 3.43Å; A1056-E1149 PolarHBondContact N-O 2.98Å; N1123-E1149 PolarHBondContact ND2-OE1 2.72Å; R1143-E1149 IonicContact CZ-OE1 3.84Å; R1143-E1149 IonicContact NH1-OE1 3.33Å; R1143-E1149 PolarHBondContact NH1-OE1 2.85Å; R1143-E1149 IonicContact NH1-OE2 3.4Å; R1143-E1149 PolarHBondContact NH1-OE2 3.23Å; R1143-E1149 IonicContact NH2-OE1 2.73Å; R1143-E1149 PolarHBondContact NH2-OE1 3.08Å; I1145-E1149 HydrophobicContact CG2-CB 3.77Å; I1145-E1149 HydrophobicContact CG2-CG 4.17Å; C1146-E1149 PolarHBondContact N-OE2 3.09Å; C1146-E1149 WeakPolarHBondContact O-CB 3.43Å; C1146-E1149 PolarHBondContact O-N 2.98Å
1150	E	97.9	Very high	91.4	Very high	26 Å²	26	63 Å²	63	12%	0.121	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-73.9	129.4	176.5	-166.3	168.5	170.6	0	0	110.2	S1047 K1048 F1055 N1117 N1123 T1152	S1047-E1150 WeakPolarHBondContact CB-OE1 3.15Å; S1047-E1150 VanDerWaalsContact OG-CD 3.24Å; S1047-E1150 PolarHBondContact OG-OE1 3.16Å; S1047-E1150 PolarHBondContact OG-OE2 2.85Å; K1048-E1150 PolarHBondContact N-OE2 3.05Å; F1055-E1150 HydrophobicContact CD1-CB 3.8Å; F1055-E1150 HydrophobicContact CD1-CG 4.25Å; F1055-E1150 HydrophobicContact CE1-CB 3.48Å; F1055-E1150 VanDerWaalsContact CE1-CB 3.48Å; F1055-E1150 HydrophobicContact CE1-CG 3.83Å; F1055-E1150 HydrophobicContact CE2-CG 4.21Å; F1055-E1150 HydrophobicContact CZ-CB 3.99Å; F1055-E1150 HydrophobicContact CZ-CG 3.79Å; N1117-E1150 PolarHBondContact ND2-OE1 3.37Å; N1123-E1150 PolarHBondContact ND2-O 3.13Å; E1150-T1152 HydrophobicContact CG-CG2 4.45Å
1151	L	98.4	Very high	90.5	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-78.3	133.1	174.4	-56.4	179.2	0	0	0	109	V1042 L1054 A1056 I1060 V1066 I1116 N1123 I1145	V1042-L1151 HydrophobicContact CG1-CD1 3.53Å; L1054-L1151 HydrophobicContact CD2-CD1 4.18Å; L1054-L1151 HydrophobicContact CG-CD1 4.32Å; L1054-L1151 WeakPolarHBondContact O-CB 3.19Å; L1054-L1151 PolarHBondContact O-N 3.36Å; A1056-L1151 HydrophobicContact CB-CD2 4.3Å; I1060-L1151 HydrophobicContact CD1-CD2 4.33Å; V1066-L1151 HydrophobicContact CG1-CD1 3.68Å; I1116-L1151 WeakPolarHBondContact CG2-O 3.46Å; N1123-L1151 WeakPolarHBondContact OD1-CA 3.37Å; I1145-L1151 HydrophobicContact CD1-CD2 3.54Å; I1145-L1151 HydrophobicContact CG2-CD2 3.97Å
1152	T	97.9	Very high	89.3	Confident	10 Å²	10	74.9 Å²	74.9	6%	0.061	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	146	179.7	54.1	0	0	0	0	111	I1049 N1117 S1119 P1122 N1123 C1124 E1150	I1049-T1152 HydrophobicContact CD1-CG2 3.75Å; N1117-T1152 VanDerWaalsContact O-CA 3.29Å; N1117-T1152 WeakPolarHBondContact O-CA 3.4Å; N1117-T1152 WeakPolarHBondContact O-CB 3.43Å; S1119-T1152 VanDerWaalsContact CB-CB 3.48Å; S1119-T1152 WeakPolarHBondContact CB-OG1 3.48Å; P1122-T1152 VanDerWaalsContact CB-O 3.24Å; P1122-T1152 WeakPolarHBondContact CB-O 3.49Å; N1123-T1152 PolarHBondContact N-O 2.97Å; N1123-T1152 PolarHBondContact OD1-N 3.44Å; N1123-T1152 PolarHBondContact OD1-O 3.47Å; C1124-T1152 WeakPolarHBondContact CA-O 3.25Å; C1124-T1152 WeakPolarHBondContact CB-O 3.39Å; C1124-T1152 PolarHBondContact N-O 3.04Å; E1150-T1152 HydrophobicContact CG-CG2 4.45Å
1153	Y	96.3	Very high	88.3	Confident	17 Å²	17	79.4 Å²	79.4	7%	0.067	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	160.7	170.4	68.8	-93.4	0	0	0	110.8	F1096 I1116 N1117 H1118 S1119 P1122 C1124 A1126 I1139 Y1155	F1096-Y1153 AromaticContact CE2-CE2 3.9Å; F1096-Y1153 HydrophobicContact CE2-CE2 3.9Å; F1096-Y1153 AromaticContact CE2-CZ 3.84Å; F1096-Y1153 WeakPolarHBondContact CE2-OH 3.42Å; F1096-Y1153 HydrophobicContact CZ-CE2 4.45Å; I1116-Y1153 HydrophobicContact CB-CD1 4.09Å; I1116-Y1153 HydrophobicContact CB-CE1 3.81Å; I1116-Y1153 HydrophobicContact CD1-CE1 4.49Å; I1116-Y1153 HydrophobicContact CG2-CD1 3.32Å; I1116-Y1153 HydrophobicContact CG2-CE1 3.55Å; I1116-Y1153 HydrophobicContact CG2-CG 4.46Å; N1117-Y1153 PolarHBondContact O-N 2.99Å; H1118-Y1153 WeakPolarHBondContact CA-O 3.38Å; S1119-Y1153 PolarHBondContact N-O 3.45Å; P1122-Y1153 VanDerWaalsContact CB-CA 3.48Å; C1124-Y1153 WeakPolarHBondContact O-CB 3.34Å; A1126-Y1153 HydrophobicContact CB-CD2 4.49Å; I1139-Y1153 HydrophobicContact CD1-CD1 4.16Å; I1139-Y1153 HydrophobicContact CD1-CE1 4.07Å; Y1153-Y1155 AromaticContact CD2-CD1 3.94Å; Y1153-Y1155 HydrophobicContact CD2-CD1 3.94Å; Y1153-Y1155 HydrophobicContact CD2-CE1 4.39Å; Y1153-Y1155 HydrophobicContact CE1-CE1 4.13Å; Y1153-Y1155 AromaticContact CE2-CD1 3.45Å; Y1153-Y1155 HydrophobicContact CE2-CD1 3.45Å; Y1153-Y1155 VanDerWaalsContact CE2-CD1 3.45Å; Y1153-Y1155 AromaticContact CE2-CE1 3.8Å; Y1153-Y1155 HydrophobicContact CE2-CE1 3.8Å; Y1153-Y1155 AromaticContact CZ-CD1 3.78Å; Y1153-Y1155 AromaticContact CZ-CE1 3.61Å; Y1153-Y1155 PolarHBondContact O-N 3.34Å
1154	D	92.3	Very high	87.5	Confident	32 Å²	32	77.8 Å²	77.8	17%	0.171	41%	0.409	C	S	.	.			trans	-77.5	120.1	175	-175.9	-1.3	0	0	0	109.6	H1118 P1122 Q1156 R1176	H1118-D1154 IonicContact CE1-OD1 2.69Å; H1118-D1154 PolarHBondContact CE1-OD1 3.45Å; H1118-D1154 VanDerWaalsContact CE1-OD1 3.27Å; H1118-D1154 IonicContact ND1-OD1 3.87Å; P1122-D1154 HydrophobicContact CG-CB 4.37Å; D1154-Q1156 HydrophobicContact CB-CG 4.4Å; D1154-Q1156 PolarHBondContact O-N 3.26Å; D1154-Q1156 PolarHBondContact OD1-N 3.08Å; D1154-R1176 IonicContact OD2-CZ 3.7Å; D1154-R1176 IonicContact OD2-NH1 3.48Å; D1154-R1176 PolarHBondContact OD2-NH1 3.06Å; D1154-R1176 IonicContact OD2-NH2 3.89Å; D1154-R1176 PolarHBondContact OD2-NH2 3.43Å
1155	Y	92.7	Very high	87.2	Confident	63 Å²	63	77 Å²	77	25%	0.247	40%	0.397	C	S	.	.			trans	-68.2	-20.5	-178.8	-75.3	3	0	0	0	113.6	I1116 N1117 H1118 Y1153 F1157	I1116-Y1155 WeakPolarHBondContact O-CE1 3.36Å; I1116-Y1155 PolarHBondContact O-OH 3.01Å; N1117-Y1155 WeakPolarHBondContact CA-OH 3.46Å; H1118-Y1155 HydrophobicContact CB-CD1 4.01Å; H1118-Y1155 HydrophobicContact CB-CD2 3.81Å; H1118-Y1155 HydrophobicContact CB-CE1 4.14Å; H1118-Y1155 HydrophobicContact CB-CE2 3.94Å; H1118-Y1155 HydrophobicContact CB-CG 3.87Å; H1118-Y1155 AromaticContact ND1-CG 3.87Å; H1118-Y1155 PolarHBondContact ND1-N 3.31Å; Y1153-Y1155 AromaticContact CD2-CD1 3.94Å; Y1153-Y1155 HydrophobicContact CD2-CD1 3.94Å; Y1153-Y1155 HydrophobicContact CD2-CE1 4.39Å; Y1153-Y1155 HydrophobicContact CE1-CE1 4.13Å; Y1153-Y1155 AromaticContact CE2-CD1 3.45Å; Y1153-Y1155 HydrophobicContact CE2-CD1 3.45Å; Y1153-Y1155 VanDerWaalsContact CE2-CD1 3.45Å; Y1153-Y1155 AromaticContact CE2-CE1 3.8Å; Y1153-Y1155 HydrophobicContact CE2-CE1 3.8Å; Y1153-Y1155 AromaticContact CZ-CD1 3.78Å; Y1153-Y1155 AromaticContact CZ-CE1 3.61Å; Y1153-Y1155 PolarHBondContact O-N 3.34Å; Y1155-F1157 VanDerWaalsContact C-N 3.28Å; Y1155-F1157 HydrophobicContact CD2-CE1 4.11Å; Y1155-F1157 AromaticContact CD2-CE2 3.77Å; Y1155-F1157 HydrophobicContact CD2-CE2 3.77Å; Y1155-F1157 AromaticContact CD2-CZ 3.47Å; Y1155-F1157 HydrophobicContact CD2-CZ 3.47Å; Y1155-F1157 VanDerWaalsContact CD2-CZ 3.47Å; Y1155-F1157 HydrophobicContact CE2-CZ 4.28Å; Y1155-F1157 HydrophobicContact CG-CE1 4.45Å; Y1155-F1157 HydrophobicContact CG-CZ 4.23Å; Y1155-F1157 PolarHBondContact O-N 2.87Å
1156	Q	85.6	Confident	86.5	Confident	154 Å²	154	80.6 Å²	80.6	72%	0.72	42%	0.416	S	S	*	.			trans	52.1	45.6	178.7	-58.3	-179.5	-17.5	0	0	112.7	D1154	D1154-Q1156 HydrophobicContact CB-CG 4.4Å; D1154-Q1156 PolarHBondContact O-N 3.26Å; D1154-Q1156 PolarHBondContact OD1-N 3.08Å
1157	F	84	Confident	86.3	Confident	94 Å²	94	80.4 Å²	80.4	41%	0.412	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-64.2	146.8	172.5	-66.3	-29.4	0	0	0	110.8	Y1155 L1166 M1179 N1180	Y1155-F1157 VanDerWaalsContact C-N 3.28Å; Y1155-F1157 HydrophobicContact CD2-CE1 4.11Å; Y1155-F1157 AromaticContact CD2-CE2 3.77Å; Y1155-F1157 HydrophobicContact CD2-CE2 3.77Å; Y1155-F1157 AromaticContact CD2-CZ 3.47Å; Y1155-F1157 HydrophobicContact CD2-CZ 3.47Å; Y1155-F1157 VanDerWaalsContact CD2-CZ 3.47Å; Y1155-F1157 HydrophobicContact CE2-CZ 4.28Å; Y1155-F1157 HydrophobicContact CG-CE1 4.45Å; Y1155-F1157 HydrophobicContact CG-CZ 4.23Å; Y1155-F1157 PolarHBondContact O-N 2.87Å; F1157-L1166 HydrophobicContact CE2-CD1 4.42Å; F1157-M1179 HydrophobicContact CD2-CB 4.11Å; F1157-N1180 HydrophobicContact CB-CB 3.75Å; F1157-N1180 HydrophobicContact CD2-CB 4.39Å
1158	D	78.7	Confident	86.1	Confident	112 Å²	112	73.9 Å²	73.9	60%	0.599	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-65.1	146.2	174.9	-65.7	-43.8	0	0	0	109.2	R1097 E1160 N1180	R1097-D1158 IonicContact NH1-OD2 3.67Å; R1097-D1158 PolarHBondContact NH1-OD2 3.2Å; D1158-E1160 PolarHBondContact O-N 3.06Å; D1158-N1180 WeakPolarHBondContact O-CB 3.4Å
1159	F	76.3	Confident	85.9	Confident	179 Å²	179	76.6 Å²	76.6	79%	0.785	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-67.9	127.7	-178.8	-72	-69.9	0	0	0	111.6	N1180	F1159-N1180 WeakPolarHBondContact CA-OXT 3.46Å
1160	E	76.8	Confident	85.6	Confident	93 Å²	93	74.9 Å²	74.9	44%	0.435	39%	0.385	S	S	.	.			trans	-109.7	156.3	177	-70.3	-170.3	-129.1	0	0	113	D1158 S1164 N1180	D1158-E1160 PolarHBondContact O-N 3.06Å; E1160-S1164 WeakPolarHBondContact OE2-CB 3.44Å; E1160-N1180 HydrophobicContact CG-CB 4.44Å; E1160-N1180 PolarHBondContact N-OXT 2.82Å; E1160-N1180 PolarHBondContact OE1-ND2 3.12Å
1161	D	75.4	Confident	85.1	Confident	136 Å²	136	80.3 Å²	80.3	73%	0.727	42%	0.415	S	S	*	.			trans	-61.9	159	175.4	-64.2	-26.1	0	0	0	111.2	T1163 S1164	D1161-T1163 PolarHBondContact O-N 3.3Å; D1161-S1164 PolarHBondContact O-N 3.2Å
1162	D	71.5	Confident	84.7	Confident	131 Å²	131	81 Å²	81	70%	0.701	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-52.2	-25.6	-175.3	-75.9	-31.7	0	0	0	114.5	S1164 K1165	D1162-S1164 VanDerWaalsContact C-N 3.34Å; D1162-S1164 PolarHBondContact O-N 2.94Å; D1162-K1165 WeakPolarHBondContact OD1-CE 3.49Å; D1162-K1165 IonicContact OD1-NZ 2.69Å; D1162-K1165 PolarHBondContact OD1-NZ 2.87Å
1163	T	72	Confident	83.9	Confident	131 Å²	131	87 Å²	87	80%	0.804	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-72.4	-21.6	178.9	49.2	0	0	0	0	114.6	D1161	D1161-T1163 PolarHBondContact O-N 3.3Å
1164	S	75	Confident	83.5	Confident	56 Å²	56	90.6 Å²	90.6	39%	0.392	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-120.8	14.3	-171.7	-51.3	0	0	0	0	113.2	E1160 D1161 D1162 N1180	E1160-S1164 WeakPolarHBondContact OE2-CB 3.44Å; D1161-S1164 PolarHBondContact O-N 3.2Å; D1162-S1164 VanDerWaalsContact C-N 3.34Å; D1162-S1164 PolarHBondContact O-N 2.94Å; S1164-N1180 PolarHBondContact O-ND2 3.11Å
1165	K	81.5	Confident	83.4	Confident	66 Å²	66	90.7 Å²	90.7	29%	0.287	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-68.6	133.4	-179.4	-70	-173.5	171	174.7	0	112.7	D1162 W1178 N1180	D1162-K1165 WeakPolarHBondContact OD1-CE 3.49Å; D1162-K1165 IonicContact OD1-NZ 2.69Å; D1162-K1165 PolarHBondContact OD1-NZ 2.87Å; K1165-W1178 HydrophobicContact CB-CD2 3.98Å; K1165-W1178 HydrophobicContact CB-CE3 3.46Å; K1165-W1178 VanDerWaalsContact CB-CE3 3.46Å; K1165-W1178 HydrophobicContact CB-CH2 4.35Å; K1165-W1178 HydrophobicContact CB-CZ3 3.66Å; K1165-W1178 HydrophobicContact CD-CD2 4.06Å; K1165-W1178 HydrophobicContact CD-CE3 4.39Å; K1165-W1178 HydrophobicContact CD-CG 4.28Å; K1165-W1178 HydrophobicContact CG-CE3 4.47Å; K1165-N1180 WeakPolarHBondContact CA-OD1 3.45Å
1166	L	83.9	Confident	83.2	Confident	77 Å²	77	94 Å²	94	40%	0.403	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-102.5	116.4	179.9	-64.1	173.8	0	0	0	109.7	F1157 C1168 W1178 M1179 N1180	F1157-L1166 HydrophobicContact CE2-CD1 4.42Å; L1166-C1168 PolarHBondContact O-N 3.32Å; L1166-W1178 CarbonylContact O-C 3.39Å; L1166-W1178 WeakPolarHBondContact O-CA 3.39Å; L1166-M1179 HydrophobicContact CB-CB 4.42Å; L1166-M1179 HydrophobicContact CB-CE 3.93Å; L1166-M1179 PolarHBondContact O-N 2.99Å; L1166-N1180 VanDerWaalsContact CB-OD1 3.32Å; L1166-N1180 WeakPolarHBondContact CB-OD1 3.47Å; L1166-N1180 PolarHBondContact N-OD1 3.29Å
1167	P	87.7	Confident	83.2	Confident	77 Å²	77	94.1 Å²	94.1	50%	0.5	49%	0.493	S	S	.	.	B	Isolated β-bridge	trans	-66.3	134	-177.6	26.6	-33.8	0	0	0	111.2	W1178	P1167-W1178 HydrophobicContact CB-CE3 4.33Å; P1167-W1178 HydrophobicContact CB-CZ3 4.13Å
1168	C	92.2	Very high	83.4	Confident	13 Å²	13	95 Å²	95	9%	0.088	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-88.4	120.8	177.9	-175.1	0	0	0	0	111.1	H1118 L1166 C1170 K1177 M1179	H1118-C1168 VanDerWaalsContact CD2-SG 3.52Å; L1166-C1168 PolarHBondContact O-N 3.32Å; C1168-C1170 PolarHBondContact SG-SG 3.44Å; C1168-K1177 PolarHBondContact N-O 3.07Å; C1168-M1179 HydrophobicContact CB-CG 3.75Å
1169	L	90.3	Very high	83.6	Confident	93 Å²	93	91.4 Å²	91.4	49%	0.487	47%	0.474	S	S	.	.			trans	-103.4	16.2	-178	-57.3	178.1	0	0	0	113.2	I1049 N1171	I1049-L1169 HydrophobicContact CG2-CB 4.43Å; L1169-N1171 PolarHBondContact O-N 3.18Å; L1169-N1171 VanDerWaalsContact O-N 3.15Å
1170	C	92.3	Very high	84	Confident	13 Å²	13	83.2 Å²	83.2	9%	0.088	44%	0.439	C	S	.	.			trans	-68.6	-14.2	-172.4	72.8	0	0	0	0	114.5	I1049 C1168 A1172	I1049-C1170 HydrophobicContact CD1-CB 4.38Å; C1168-C1170 PolarHBondContact SG-SG 3.44Å; C1170-A1172 PolarHBondContact O-N 3.37Å; C1170-A1172 VanDerWaalsContact SG-CB 3.58Å
1171	N	87.3	Confident	84.3	Confident	139 Å²	139	82.8 Å²	82.8	74%	0.743	44%	0.439	S	S	*	.			trans	54.2	17.2	-177.3	-62	-33.7	0	0	0	114.8	L1169	L1169-N1171 PolarHBondContact O-N 3.18Å; L1169-N1171 VanDerWaalsContact O-N 3.15Å
1172	A	89	Confident	84.8	Confident	15 Å²	15	79.9 Å²	79.9	12%	0.124	42%	0.424	C	S	.	.			trans	-64.8	143.2	174.3	0	0	0	0	0	109.9	C1120 D1121 C1170 N1174 C1175	C1120-A1172 HydrophobicContact CB-CB 4.36Å; D1121-A1172 HydrophobicContact CB-CB 3.91Å; C1170-A1172 PolarHBondContact O-N 3.37Å; C1170-A1172 VanDerWaalsContact SG-CB 3.58Å; A1172-N1174 WeakPolarHBondContact CB-OD1 3.39Å; A1172-N1174 PolarHBondContact O-N 2.99Å; A1172-N1174 VanDerWaalsContact O-N 3.07Å; A1172-C1175 WeakPolarHBondContact O-CB 3.49Å; A1172-C1175 PolarHBondContact O-N 3.49Å
1173	P	81.8	Confident	85.5	Confident	137 Å²	137	77.1 Å²	77.1	89%	0.89	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.5	179.7	-24.4	33.1	0	0	0	113.7
1174	N	87.3	Confident	86.3	Confident	91 Å²	91	73.9 Å²	73.9	49%	0.487	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	27	177.8	66.4	-22.6	0	0	0	112.3	C1120 D1121 A1172 R1176	C1120-N1174 PolarHBondContact O-ND2 3.4Å; D1121-N1174 WeakPolarHBondContact CB-OD1 3.48Å; A1172-N1174 WeakPolarHBondContact CB-OD1 3.39Å; A1172-N1174 PolarHBondContact O-N 2.99Å; A1172-N1174 VanDerWaalsContact O-N 3.07Å; N1174-R1176 PolarHBondContact O-N 2.95Å
1175	C	91.2	Very high	87	Confident	35 Å²	35	75.1 Å²	75.1	24%	0.236	39%	0.385	C	S	.	.			trans	-55.8	129.3	178.3	-177.8	0	0	0	0	111	A1172 K1177	A1172-C1175 WeakPolarHBondContact O-CB 3.49Å; A1172-C1175 PolarHBondContact O-N 3.49Å; C1175-K1177 PolarHBondContact O-N 3.38Å; C1175-K1177 VanDerWaalsContact O-N 3.17Å; C1175-K1177 PolarHBondContact SG-N 3.45Å
1176	R	88	Confident	87.4	Confident	132 Å²	132	75.7 Å²	75.7	50%	0.498	39%	0.391	S	S	.	.			trans	-72.2	-1.9	177.1	-58.8	177.1	-154.4	161.4	11.5	113.2	C1120 D1154 N1174 W1178	C1120-R1176 PolarHBondContact SG-N 3.37Å; C1120-R1176 VanDerWaalsContact SG-N 3.37Å; D1154-R1176 IonicContact OD2-CZ 3.7Å; D1154-R1176 IonicContact OD2-NH1 3.48Å; D1154-R1176 PolarHBondContact OD2-NH1 3.06Å; D1154-R1176 IonicContact OD2-NH2 3.89Å; D1154-R1176 PolarHBondContact OD2-NH2 3.43Å; N1174-R1176 PolarHBondContact O-N 2.95Å; R1176-W1178 PolarHBondContact O-N 2.89Å
1177	K	85.3	Confident	87.7	Confident	156 Å²	156	75.6 Å²	75.6	68%	0.678	39%	0.39	S	S	*	.	S	Bend	trans	66	-24	-172.6	-54.3	-178.3	178.8	-179.6	0	115.2	C1168 C1175	C1168-K1177 PolarHBondContact N-O 3.07Å; C1175-K1177 PolarHBondContact O-N 3.38Å; C1175-K1177 VanDerWaalsContact O-N 3.17Å; C1175-K1177 PolarHBondContact SG-N 3.45Å
1178	W	88	Confident	87.7	Confident	114 Å²	114	75.5 Å²	75.5	43%	0.432	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-127.5	145.7	178.6	-52.3	103.2	0	0	0	110.6	K1165 L1166 P1167 R1176 N1180	K1165-W1178 HydrophobicContact CB-CD2 3.98Å; K1165-W1178 HydrophobicContact CB-CE3 3.46Å; K1165-W1178 VanDerWaalsContact CB-CE3 3.46Å; K1165-W1178 HydrophobicContact CB-CH2 4.35Å; K1165-W1178 HydrophobicContact CB-CZ3 3.66Å; K1165-W1178 HydrophobicContact CD-CD2 4.06Å; K1165-W1178 HydrophobicContact CD-CE3 4.39Å; K1165-W1178 HydrophobicContact CD-CG 4.28Å; K1165-W1178 HydrophobicContact CG-CE3 4.47Å; L1166-W1178 CarbonylContact O-C 3.39Å; L1166-W1178 WeakPolarHBondContact O-CA 3.39Å; P1167-W1178 HydrophobicContact CB-CE3 4.33Å; P1167-W1178 HydrophobicContact CB-CZ3 4.13Å; R1176-W1178 PolarHBondContact O-N 2.89Å; W1178-N1180 VanDerWaalsContact CB-O 3.31Å; W1178-N1180 WeakPolarHBondContact CB-O 3.39Å
1179	M	83.8	Confident	87.3	Confident	36 Å²	36	80.7 Å²	80.7	18%	0.177	41%	0.406	C	S	.	.			trans	-88.8	-31.6	178.5	-70.7	-172	-69.1	0	0	112.9	H1118 F1157 L1166 C1168	H1118-M1179 HydrophobicContact CB-SD 3.88Å; F1157-M1179 HydrophobicContact CD2-CB 4.11Å; L1166-M1179 HydrophobicContact CB-CB 4.42Å; L1166-M1179 HydrophobicContact CB-CE 3.93Å; L1166-M1179 PolarHBondContact O-N 2.99Å; C1168-M1179 HydrophobicContact CB-CG 3.75Å
1180	N	83.4	Confident	87	Confident	7 Å²	7	79.5 Å²	79.5	4%	0.037	40%	0.399	C	S	.	.			trans	-123.4	0	172.4	63.5	-18.1	0	0	0	109.6	F1157 D1158 F1159 E1160 S1164 K1165 L1166 W1178	F1157-N1180 HydrophobicContact CB-CB 3.75Å; F1157-N1180 HydrophobicContact CD2-CB 4.39Å; D1158-N1180 WeakPolarHBondContact O-CB 3.4Å; F1159-N1180 WeakPolarHBondContact CA-OXT 3.46Å; E1160-N1180 HydrophobicContact CG-CB 4.44Å; E1160-N1180 PolarHBondContact N-OXT 2.82Å; E1160-N1180 PolarHBondContact OE1-ND2 3.12Å; S1164-N1180 PolarHBondContact O-ND2 3.11Å; K1165-N1180 WeakPolarHBondContact CA-OD1 3.45Å; L1166-N1180 VanDerWaalsContact CB-OD1 3.32Å; L1166-N1180 WeakPolarHBondContact CB-OD1 3.47Å; L1166-N1180 PolarHBondContact N-OD1 3.29Å; W1178-N1180 VanDerWaalsContact CB-O 3.31Å; W1178-N1180 WeakPolarHBondContact CB-O 3.39Å

Retrieved 1,180 of 1,180 residues in 2694.3 ms (Link to these results)

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