A0A087YB30_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087YB30, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 953 aa.

						>A0A087YB30_POEFO|A0A087YB30
MSLEDYERHFDSLNSDLGGGSVVSERSASGTFNGEEEKLHYIPIRILGKGAFGEATLYRRTEDNSLVVWKEVDLNSLSEKTRRDVMNEISILSMLEHNNIIAYFNHFMDKNTLLIEMEYCNGGNLNDKIIQQRGKLFSEEIVIWYLYQITSAVAYIHKAGVIHRDIKTLNIFLTKTNLMKLGDYGLAKKLDSEFSMAETCVGTPYYMSPELCQGAKYNFKSDIWAMGCVLFEVLTLRKTFDATNPLNLCVKIVQGNWTMDVNTDCYTSALIQLVYECLNQDPAKRPTADEILDQPFISCLRQELDERVVMLNLAMKKPKLSTVSETPVAVVTTRSREVYYWGGGKFTPQKLDSFKAGSSPQHVCAGENHFAVVTVEKELYTWADVQGGAKMVGQLGHGDQASYRQPKRVEKLQGKAIRQVACGADFTACVTDEDQLYMFGSDYYGCIGVEREMGNEILEPVLLVFFEERRVRQVSCGDNHVVVLTQNGSIYSWGCGEYGRLGLECEDDFSSPMKVEVPRGASISSVSCGSDGTFFLTEMGKVLACGNNDFNKLGLNQGISGIKNHSGEAYQGIPYITTLTLVKQLARFKIQVITPGKTHTAAIDERGRLITFGCNKYGQLGVKDFKRHQGVQVLLGPFGGKSVSKVSCGDGFTIAATEDSQIFAWGNAGNGRLGMPADKGFGSEVCPAMPRPIFGSLHHVPDLSCRGWHTIIIMEKVLNSKTIRSNSSGISIGLAQEASTSMEDLDVEPGLETECRDGSLGGTREVNTEDLLEAPMMTFGNQTGDSSCPLWLRKELEDAEFIPMPDESEQSDQGQLASFSKSVTQPYEELKELKAAAEAVTNETRRMSYDKVKCLDGGTNGEYGACCKASSEVAQLKETLAHQEKRIEALEKQIKEQQKENERLWAAINRSTLQEKERDRNGNRRSEPMSSKGGSGRRSGFTNHGGRSAGASV
					

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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	40.1	Very low	40.9	Very low	174 Å²	174	105.5 Å²	105.5	86%	0.857	50%	0.501	S	S	*	.				0	112.8	0	-77.9	-172.3	-91.2	0	0	107.7	D5	M1-D5 WeakPolarHBondContact CA-OD2 3.26Å; M1-D5 HydrophobicContact CB-CB 3.93Å; M1-D5 HydrophobicContact CG-CB 3.89Å
2	S	35.7	Very low	40.5	Very low	56 Å²	56	103.8 Å²	103.8	39%	0.392	51%	0.509	S	S	.	.			trans	-67.4	-179.9	164.3	65.3	0	0	0	0	110.6	E4 D5	S2-E4 VanDerWaalsContact C-N 3.34Å; S2-E4 PolarHBondContact OG-N 3.33Å; S2-D5 PolarHBondContact N-OD2 2.66Å; S2-D5 PolarHBondContact OG-N 3.15Å; S2-D5 PolarHBondContact OG-OD2 2.97Å; S2-D5 VanDerWaalsContact OG-OD2 3.13Å
3	L	38.1	Very low	40.3	Very low	67 Å²	67	104.5 Å²	104.5	35%	0.351	52%	0.515	S	S	.	.	H	α-helix	trans	-60.6	-46.8	168.8	-138.3	81.5	0	0	0	110.5	D5 Y6 E7 L581	L3-D5 VanDerWaalsContact C-N 3.28Å; L3-D5 PolarHBondContact O-N 3.42Å; L3-Y6 WeakPolarHBondContact O-CB 3.46Å; L3-Y6 PolarHBondContact O-N 3.48Å; L3-E7 PolarHBondContact O-N 2.65Å; L3-L581 HydrophobicContact CD1-CD2 4.08Å
4	E	39.9	Very low	39.9	Very low	109 Å²	109	103.9 Å²	103.9	51%	0.509	52%	0.515	S	S	.	.	H	α-helix	trans	-62.4	-29.9	-178.7	-50.1	173.1	-162	0	0	113.8	S2 Y6 R8	S2-E4 VanDerWaalsContact C-N 3.34Å; S2-E4 PolarHBondContact OG-N 3.33Å; E4-Y6 VanDerWaalsContact C-N 3.31Å; E4-R8 VanDerWaalsContact CB-NH2 3.35Å; E4-R8 WeakPolarHBondContact O-CG 3.26Å; E4-R8 PolarHBondContact O-N 3.27Å; E4-R8 PolarHBondContact O-NE 3.04Å; E4-R8 IonicContact OE2-NH2 2.68Å; E4-R8 PolarHBondContact OE2-NH2 2.94Å
5	D	40.3	Very low	39.7	Very low	70 Å²	70	102.5 Å²	102.5	37%	0.374	52%	0.52	S	S	.	.	H	α-helix	trans	-70.2	-32.2	175.1	-64.8	-32.4	0	0	0	111.1	M1 S2 L3 H9	M1-D5 WeakPolarHBondContact CA-OD2 3.26Å; M1-D5 HydrophobicContact CB-CB 3.93Å; M1-D5 HydrophobicContact CG-CB 3.89Å; S2-D5 PolarHBondContact N-OD2 2.66Å; S2-D5 PolarHBondContact OG-N 3.15Å; S2-D5 PolarHBondContact OG-OD2 2.97Å; S2-D5 VanDerWaalsContact OG-OD2 3.13Å; L3-D5 VanDerWaalsContact C-N 3.28Å; L3-D5 PolarHBondContact O-N 3.42Å; D5-H9 PolarHBondContact O-N 3.22Å
6	Y	44.4	Very low	39.4	Very low	106 Å²	106	105.1 Å²	105.1	42%	0.416	54%	0.535	S	S	.	.	H	α-helix	trans	-79.8	-39.2	-179.5	-170	-100.9	0	0	0	111.6	L3 E4 H9 F10	L3-Y6 WeakPolarHBondContact O-CB 3.46Å; L3-Y6 PolarHBondContact O-N 3.48Å; E4-Y6 VanDerWaalsContact C-N 3.31Å; Y6-H9 PolarHBondContact O-N 3.41Å; Y6-F10 PolarHBondContact O-N 2.67Å
7	E	45.2	Very low	39.2	Very low	90 Å²	90	108.6 Å²	108.6	42%	0.421	56%	0.555	S	S	.	*	H	α-helix	trans	-60.2	-49.1	174.8	-70	168.3	161.4	0	0	111	L3 H9 F10 D11	L3-E7 PolarHBondContact O-N 2.65Å; E7-H9 PolarHBondContact O-N 3.32Å; E7-F10 WeakPolarHBondContact O-CA 3.19Å; E7-F10 WeakPolarHBondContact O-CB 3.35Å; E7-F10 PolarHBondContact O-N 2.71Å; E7-D11 PolarHBondContact O-N 2.7Å
8	R	44.2	Very low	38.9	Very low	153 Å²	153	107.1 Å²	107.1	58%	0.577	57%	0.57	S	S	*	*	H	α-helix	trans	-58.8	-29.4	174.4	-75.9	178.5	-97.2	-164.9	-13.1	113.8	E4	E4-R8 VanDerWaalsContact CB-NH2 3.35Å; E4-R8 WeakPolarHBondContact O-CG 3.26Å; E4-R8 PolarHBondContact O-N 3.27Å; E4-R8 PolarHBondContact O-NE 3.04Å; E4-R8 IonicContact OE2-NH2 2.68Å; E4-R8 PolarHBondContact OE2-NH2 2.94Å
9	H	39.6	Very low	38.4	Very low	109 Å²	109	105.7 Å²	105.7	51%	0.505	58%	0.584	S	S	.	*	H	α-helix	trans	-80.9	-25.2	174.4	-162.4	-41.5	0	0	0	112.4	D5 Y6 E7 L13	D5-H9 PolarHBondContact O-N 3.22Å; Y6-H9 PolarHBondContact O-N 3.41Å; E7-H9 PolarHBondContact O-N 3.32Å; H9-L13 WeakPolarHBondContact O-CG 3.31Å
10	F	41.4	Very low	37.8	Very low	108 Å²	108	104.3 Å²	104.3	47%	0.474	60%	0.595	S	S	.	*	H	α-helix	trans	-78.1	-41.1	179	-166.5	-107.8	0	0	0	112	Y6 E7 S12 L13 N14	Y6-F10 PolarHBondContact O-N 2.67Å; E7-F10 WeakPolarHBondContact O-CA 3.19Å; E7-F10 WeakPolarHBondContact O-CB 3.35Å; E7-F10 PolarHBondContact O-N 2.71Å; F10-S12 VanDerWaalsContact C-N 3.26Å; F10-S12 PolarHBondContact O-N 3.03Å; F10-L13 PolarHBondContact O-N 3.16Å; F10-N14 VanDerWaalsContact CD1-ND2 3.3Å; F10-N14 WeakPolarHBondContact CD1-ND2 3.45Å; F10-N14 WeakPolarHBondContact CE1-ND2 3.28Å; F10-N14 PolarHBondContact O-N 2.91Å; F10-N14 PolarHBondContact O-ND2 3.21Å; F10-N14 VanDerWaalsContact O-ND2 3.12Å
11	D	41.2	Very low	37.3	Very low	118 Å²	118	104.2 Å²	104.2	63%	0.631	60%	0.6	S	S	*	*	H	α-helix	trans	-60.1	-38.4	174	-68.3	-24.5	0	0	0	111.6	E7 L13 N14	E7-D11 PolarHBondContact O-N 2.7Å; D11-L13 PolarHBondContact O-N 3.21Å; D11-N14 PolarHBondContact O-N 2.63Å
12	S	36.5	Very low	36.9	Very low	86 Å²	86	102.9 Å²	102.9	60%	0.601	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-7.6	174.8	-172.6	0	0	0	0	114.8	F10	F10-S12 VanDerWaalsContact C-N 3.26Å; F10-S12 PolarHBondContact O-N 3.03Å
13	L	37.8	Very low	36.5	Very low	112 Å²	112	106.3 Å²	106.3	59%	0.586	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	-13.2	179.2	-76.5	169.4	0	0	0	113.8	H9 F10 D11	H9-L13 WeakPolarHBondContact O-CG 3.31Å; F10-L13 PolarHBondContact O-N 3.16Å; D11-L13 PolarHBondContact O-N 3.21Å
14	N	34.6	Very low	35.9	Very low	96 Å²	96	108.1 Å²	108.1	51%	0.513	64%	0.638	S	S	.	*	S	Bend	trans	-93.5	-2.5	179.8	-69.7	-51	0	0	0	113.8	F10 D11 D16	F10-N14 VanDerWaalsContact CD1-ND2 3.3Å; F10-N14 WeakPolarHBondContact CD1-ND2 3.45Å; F10-N14 WeakPolarHBondContact CE1-ND2 3.28Å; F10-N14 PolarHBondContact O-N 2.91Å; F10-N14 PolarHBondContact O-ND2 3.21Å; F10-N14 VanDerWaalsContact O-ND2 3.12Å; D11-N14 PolarHBondContact O-N 2.63Å; N14-D16 PolarHBondContact O-N 3.34Å
15	S	36.2	Very low	35.4	Very low	84 Å²	84	111.6 Å²	111.6	59%	0.587	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-25.2	-178.4	57.2	0	0	0	0	114.7
16	D	36	Very low	34.7	Very low	143 Å²	143	119.7 Å²	119.7	77%	0.765	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	13.4	-167.2	-73.9	-3.5	0	0	0	114.9	N14	N14-D16 PolarHBondContact O-N 3.34Å
17	L	35.2	Very low	34.1	Very low	166 Å²	166	120.7 Å²	120.7	87%	0.869	70%	0.702	S	S	*	*			trans	-123.8	35.4	176.2	-70.7	176.5	0	0	0	113.7
18	G	33.4	Very low	33.3	Very low	81 Å²	81	121.2 Å²	121.2	84%	0.835	72%	0.722	S	S	*	*			trans	-86.7	101.4	172.3	0	0	0	0	0	113.5
19	G	29.1	Very low	32.6	Very low	81 Å²	81	119.8 Å²	119.8	84%	0.835	74%	0.735	S	S	*	*			trans	173	105.2	168.5	0	0	0	0	0	115.5
20	G	28	Very low	32	Very low	77 Å²	77	118 Å²	118	79%	0.794	75%	0.746	S	S	*	*			trans	169.6	84.9	174	0	0	0	0	0	116.5
21	S	26.8	Very low	31.2	Very low	102 Å²	102	118.7 Å²	118.7	71%	0.713	76%	0.76	S	S	*	*			trans	51.3	99	156.6	-165.3	0	0	0	0	119.2	V23	S21-V23 PolarHBondContact O-N 3.11Å
22	V	30.8	Very low	30.8	Very low	147 Å²	147	123.1 Å²	123.1	89%	0.891	77%	0.774	S	S	*	*			trans	-65.1	129.6	154.8	178.1	0	0	0	0	109.1
23	V	28.8	Very low	30.5	Very low	127 Å²	127	124.6 Å²	124.6	77%	0.77	78%	0.775	S	S	*	*			trans	-118.1	123.9	167	-178.1	0	0	0	0	107.6	S21	S21-V23 PolarHBondContact O-N 3.11Å
24	S	25.4	Very low	30.7	Very low	105 Å²	105	122 Å²	122	73%	0.734	78%	0.775	S	S	*	*			trans	-63.4	141.5	-173.6	-173.2	0	0	0	0	112.3
25	E	28.8	Very low	31.5	Very low	183 Å²	183	125 Å²	125	86%	0.855	79%	0.786	S	S	*	*			trans	-53.5	144.7	160.3	-60.3	178.2	136.6	0	0	110.2
26	R	26	Very low	32.6	Very low	240 Å²	240	124.7 Å²	124.7	91%	0.906	78%	0.775	S	S	*	*			trans	-125.5	113.8	163.5	-90.6	-172.4	166.7	-171.1	-3.6	108.5	A28	R26-A28 PolarHBondContact O-N 2.84Å
27	S	31.6	Very low	34.3	Very low	127 Å²	127	122.2 Å²	122.2	89%	0.888	76%	0.759	S	S	*	*			trans	-60.2	120.9	175.2	-41.9	0	0	0	0	110.2
28	A	28.3	Very low	36.3	Very low	101 Å²	101	119.2 Å²	119.2	84%	0.835	74%	0.739	S	S	*	*			trans	-102.8	112.6	170	0	0	0	0	0	108.7	R26	R26-A28 PolarHBondContact O-N 2.84Å
29	S	29.1	Very low	38.6	Very low	122 Å²	122	115.9 Å²	115.9	85%	0.853	70%	0.702	S	S	*	*			trans	-98.8	129	179.4	56.1	0	0	0	0	111
30	G	27.4	Very low	41	Very low	71 Å²	71	115 Å²	115	73%	0.732	68%	0.676	S	S	*	*			trans	99	134.9	-176.5	0	0	0	0	0	111.5
31	T	25.3	Very low	43.7	Very low	124 Å²	124	111.3 Å²	111.3	76%	0.761	64%	0.638	S	S	*	*			cis	-137.4	135.5	10.8	-57.3	0	0	0	0	110	N33	T31-N33 PolarHBondContact O-N 2.99Å; T31-N33 VanDerWaalsContact O-N 3.12Å
32	F	30.7	Very low	46.2	Very low	210 Å²	210	106.8 Å²	106.8	92%	0.921	61%	0.606	S	S	*	*			trans	-73.3	98.6	165.9	-103.1	-90.8	0	0	0	108.7
33	N	32.2	Very low	48.7	Very low	118 Å²	118	101.5 Å²	101.5	63%	0.631	58%	0.575	S	S	*	*			trans	-78.1	131.8	155.2	-68.1	-12.8	0	0	0	107.2	T31 E35	T31-N33 PolarHBondContact O-N 2.99Å; T31-N33 VanDerWaalsContact O-N 3.12Å; N33-E35 PolarHBondContact O-N 3.07Å
34	G	40.7	Very low	51.1	Low	57 Å²	57	96.7 Å²	96.7	59%	0.588	54%	0.544	S	S	*	.			trans	-70.8	103.9	162.2	0	0	0	0	0	108.2	E36	G34-E36 PolarHBondContact O-N 3.32Å
35	E	51.1	Low	53.5	Low	159 Å²	159	95.5 Å²	95.5	74%	0.743	52%	0.524	S	S	*	.			trans	-84.3	95.8	175.6	-66.4	-156.4	142.8	0	0	109.4	N33 E37	N33-E35 PolarHBondContact O-N 3.07Å; E35-E37 PolarHBondContact O-N 3.12Å; E35-E37 VanDerWaalsContact O-N 3.13Å
36	E	60.6	Low	56.1	Low	78 Å²	78	90.8 Å²	90.8	36%	0.364	50%	0.503	S	S	.	.			trans	-35	117.1	176.6	-64	176.8	145.9	0	0	111.4	G34 K38 V328 R724	G34-E36 PolarHBondContact O-N 3.32Å; E36-K38 WeakPolarHBondContact O-CG 3.47Å; E36-K38 PolarHBondContact O-N 2.93Å; E36-K38 VanDerWaalsContact O-N 3.07Å; E36-V328 HydrophobicContact CB-CG2 4.06Å; E36-V328 HydrophobicContact CG-CG2 4.48Å; E36-R724 IonicContact OE1-NH2 3.39Å; E36-R724 IonicContact OE2-NH2 3.25Å
37	E	71.4	Confident	58.9	Low	91 Å²	91	82.5 Å²	82.5	43%	0.425	48%	0.477	S	S	.	.			trans	-61.5	114	-176	-172.1	176	179.6	0	0	110.8	E35 L320 P327 V328	E35-E37 PolarHBondContact O-N 3.12Å; E35-E37 VanDerWaalsContact O-N 3.13Å; E37-L320 WeakPolarHBondContact OE2-CD2 3.23Å; E37-P327 CarbonylContact O-C 3.53Å; E37-P327 VanDerWaalsContact O-CA 3.28Å; E37-P327 WeakPolarHBondContact O-CA 3.29Å; E37-V328 PolarHBondContact O-N 3.43Å
38	K	77.1	Confident	60.9	Low	102 Å²	102	78 Å²	78	44%	0.443	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	110.6	-176.2	-75.6	147.8	-164	153.3	0	110.8	E36 H40 V328 V330	E36-K38 WeakPolarHBondContact O-CG 3.47Å; E36-K38 PolarHBondContact O-N 2.93Å; E36-K38 VanDerWaalsContact O-N 3.07Å; K38-H40 PolarHBondContact O-CD2 3.11Å; K38-V328 WeakPolarHBondContact CA-O 3.44Å; K38-V328 HydrophobicContact CG-CB 4.4Å; K38-V330 HydrophobicContact CB-CG2 4.16Å; K38-V330 HydrophobicContact CG-CG2 4.09Å
39	L	80.8	Confident	63.2	Low	11 Å²	11	80.6 Å²	80.6	6%	0.058	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	115.6	172.4	-61.5	177.4	0	0	0	108.2	Y41 P327 V328 A329 V330	L39-Y41 HydrophobicContact CB-CD2 4.38Å; L39-Y41 HydrophobicContact CB-CE2 3.5Å; L39-Y41 WeakPolarHBondContact O-CD2 3.35Å; L39-Y41 WeakPolarHBondContact O-CE2 3.36Å; L39-P327 HydrophobicContact CD1-CB 3.85Å; L39-P327 HydrophobicContact CD1-CG 4.27Å; L39-P327 HydrophobicContact CG-CB 4.15Å; L39-V328 PolarHBondContact N-O 2.74Å; L39-A329 CarbonylContact O-C 3.56Å; L39-A329 WeakPolarHBondContact O-CA 3.17Å; L39-V330 PolarHBondContact O-N 3.33Å
40	H	80.9	Confident	64.8	Low	62 Å²	62	77.4 Å²	77.4	29%	0.287	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	131.9	-176.9	-67.7	-100	0	0	0	111.2	K38 R60 T61 E62 V330	K38-H40 PolarHBondContact O-CD2 3.11Å; H40-R60 WeakPolarHBondContact O-CA 3.38Å; H40-T61 HydrophobicContact CB-CG2 3.83Å; H40-T61 WeakPolarHBondContact CB-OG1 3.37Å; H40-T61 PolarHBondContact O-N 2.94Å; H40-E62 WeakPolarHBondContact CA-OE1 3.37Å; H40-E62 VanDerWaalsContact CB-OE1 3.3Å; H40-E62 WeakPolarHBondContact CB-OE1 3.3Å; H40-E62 IonicContact CD2-OE1 2.68Å; H40-E62 PolarHBondContact N-OE1 2.86Å; H40-V330 WeakPolarHBondContact CA-O 3.47Å; H40-V330 WeakPolarHBondContact ND1-CB 3.24Å; H40-V330 WeakPolarHBondContact ND1-CG1 3.46Å
41	Y	83.3	Confident	66.2	Low	0 Å²	0	78.9 Å²	78.9	0%	0	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.8	-173.7	-67.9	-86.3	0	0	0	111.5	L39 R59 R60 V67 W69 F107 E116 A329 V330 V331 T332	L39-Y41 HydrophobicContact CB-CD2 4.38Å; L39-Y41 HydrophobicContact CB-CE2 3.5Å; L39-Y41 WeakPolarHBondContact O-CD2 3.35Å; L39-Y41 WeakPolarHBondContact O-CE2 3.36Å; Y41-R59 CarbonylContact C-O 3.51Å; Y41-R59 WeakPolarHBondContact CA-O 3.49Å; Y41-R60 HydrophobicContact CD1-CG 3.91Å; Y41-R60 HydrophobicContact CE1-CG 3.46Å; Y41-R60 VanDerWaalsContact CE1-CG 3.46Å; Y41-V67 HydrophobicContact CD1-CG2 4.31Å; Y41-V67 HydrophobicContact CE1-CG2 4.03Å; Y41-W69 AromaticContact CD1-CZ2 3.77Å; Y41-W69 HydrophobicContact CD1-CZ2 3.77Å; Y41-W69 AromaticContact CD1-NE1 3.94Å; Y41-W69 HydrophobicContact CD2-CH2 4.11Å; Y41-W69 AromaticContact CD2-CZ2 3.59Å; Y41-W69 HydrophobicContact CD2-CZ2 3.59Å; Y41-W69 AromaticContact CE1-CZ2 3.86Å; Y41-W69 HydrophobicContact CE1-CZ2 3.86Å; Y41-W69 AromaticContact CE1-NE1 3.67Å; Y41-W69 HydrophobicContact CE2-CH2 4.47Å; Y41-W69 AromaticContact CE2-CZ2 3.68Å; Y41-W69 HydrophobicContact CE2-CZ2 3.68Å; Y41-W69 HydrophobicContact CG-CH2 4.24Å; Y41-W69 AromaticContact CG-CZ2 3.63Å; Y41-W69 HydrophobicContact CG-CZ2 3.63Å; Y41-W69 AromaticContact CZ-CZ2 3.81Å; Y41-F107 HydrophobicContact CE2-CE2 4.47Å; Y41-F107 HydrophobicContact CE2-CZ 4.17Å; Y41-E116 WeakPolarHBondContact CE1-OE1 3.37Å; Y41-E116 PolarHBondContact OH-OE1 2.93Å; Y41-E116 PolarHBondContact OH-OE2 3.22Å; Y41-A329 HydrophobicContact CD2-CB 3.85Å; Y41-A329 HydrophobicContact CE2-CB 3.74Å; Y41-V330 PolarHBondContact N-O 2.93Å; Y41-V331 CarbonylContact O-C 3.53Å; Y41-V331 WeakPolarHBondContact O-CA 3.5Å; Y41-T332 PolarHBondContact O-N 3.49Å
42	I	79.3	Confident	67.7	Low	8 Å²	8	76.4 Å²	76.4	4%	0.041	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	113.3	175	-60.6	166.6	0	0	0	108.5	Y58 R59 T61 T332 R334	I42-Y58 CarbonylContact O-C 3.59Å; I42-Y58 WeakPolarHBondContact O-CA 3.45Å; I42-R59 PolarHBondContact N-O 3.4Å; I42-R59 PolarHBondContact O-N 2.6Å; I42-T61 HydrophobicContact CD1-CG2 3.51Å; I42-T61 HydrophobicContact CG1-CG2 3.79Å; I42-T332 WeakPolarHBondContact CG1-O 3.3Å; I42-R334 HydrophobicContact CD1-CG 4.32Å; I42-R334 HydrophobicContact CG1-CG 4.34Å; I42-R334 HydrophobicContact CG2-CB 4.2Å; I42-R334 HydrophobicContact CG2-CG 4.34Å
43	P	83.3	Confident	69.7	Low	36 Å²	36	68.1 Å²	68.1	23%	0.234	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	143.1	175.8	24.5	-30.4	0	0	0	111	T56 Y58 V331 T333	P43-T56 HydrophobicContact CB-CG2 4.37Å; P43-Y58 HydrophobicContact CB-CD1 3.84Å; P43-Y58 HydrophobicContact CB-CE1 3.53Å; P43-Y58 HydrophobicContact CG-CD1 4.42Å; P43-Y58 HydrophobicContact CG-CE1 3.99Å; P43-V331 HydrophobicContact CG-CG1 4.48Å; P43-T333 HydrophobicContact CG-CG2 3.73Å
44	I	79.1	Confident	72.1	Confident	26 Å²	26	64.7 Å²	64.7	13%	0.133	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-57.4	-178.7	-64.6	159.6	0	0	0	110.4	L57 R59 L66 V375 E376	I44-L57 HydrophobicContact CB-CB 4.49Å; I44-L57 HydrophobicContact CB-CD2 4.3Å; I44-L57 HydrophobicContact CB-CG 4.36Å; I44-L57 HydrophobicContact CD1-CD2 4.07Å; I44-L57 HydrophobicContact CD1-CG 3.99Å; I44-L57 HydrophobicContact CG2-CD2 4.24Å; I44-L57 PolarHBondContact N-O 3.09Å; I44-R59 HydrophobicContact CD1-CB 3.91Å; I44-R59 HydrophobicContact CG1-CB 4.49Å; I44-L66 HydrophobicContact CD1-CD2 3.37Å; I44-V375 HydrophobicContact CD1-CG1 3.7Å; I44-V375 HydrophobicContact CG1-CG1 4.41Å; I44-E376 WeakPolarHBondContact CG2-OE1 3.39Å
45	R	76.8	Confident	74.4	Confident	80 Å²	80	63.4 Å²	63.4	30%	0.302	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	155.4	-177.5	71.1	-169.4	-164.6	177.3	5.7	112.1	L47 L57 G357	R45-L47 HydrophobicContact CG-CD2 4.2Å; R45-L57 HydrophobicContact CG-CB 4.27Å; R45-L57 HydrophobicContact CG-CD2 4.38Å; R45-L57 WeakPolarHBondContact O-CB 3.4Å; R45-L57 PolarHBondContact O-N 3.03Å; R45-G357 PolarHBondContact NH1-O 2.96Å
46	I	83.9	Confident	76.2	Confident	83 Å²	83	56.2 Å²	56.2	43%	0.426	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	132.6	165.3	-53.2	172.8	0	0	0	107.8	K49 E54	I46-K49 HydrophobicContact CG2-CG 4.33Å; I46-E54 VanDerWaalsContact CD1-OE1 3.23Å; I46-E54 WeakPolarHBondContact CD1-OE1 3.2Å; I46-E54 HydrophobicContact CG1-CG 4.48Å; I46-E54 VanDerWaalsContact CG1-OE1 3.3Å; I46-E54 WeakPolarHBondContact CG1-OE1 3.5Å; I46-E54 HydrophobicContact CG2-CG 3.78Å
47	L	83.3	Confident	77.6	Confident	66 Å²	66	52.5 Å²	52.5	35%	0.346	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-33.5	173.7	-63.1	178.9	0	0	0	111.9	R45 A55 L57 V68 Y119	R45-L47 HydrophobicContact CG-CD2 4.2Å; L47-A55 WeakPolarHBondContact CA-O 3.45Å; L47-A55 WeakPolarHBondContact CB-O 3.36Å; L47-A55 PolarHBondContact N-O 3.43Å; L47-L57 HydrophobicContact CD1-CB 4.09Å; L47-L57 HydrophobicContact CD1-CD1 4.46Å; L47-L57 HydrophobicContact CD2-CB 4.04Å; L47-L57 HydrophobicContact CD2-CD2 4.45Å; L47-L57 HydrophobicContact CG-CB 3.95Å; L47-V68 HydrophobicContact CD1-CG1 4.19Å; L47-V68 HydrophobicContact CD1-CG2 3.73Å; L47-Y119 HydrophobicContact CD1-CD2 4.03Å; L47-Y119 HydrophobicContact CD1-CE2 3.83Å; L47-Y119 HydrophobicContact CD2-CE2 4.3Å
48	G	75.4	Confident	78.3	Confident	33 Å²	33	49 Å²	49	34%	0.34	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-175	166.7	176.1	0	0	0	0	0	112.8	A55	G48-A55 PolarHBondContact N-O 3.13Å; G48-A55 PolarHBondContact O-N 3.4Å
49	K	75.3	Confident	78.6	Confident	155 Å²	155	45 Å²	45	67%	0.674	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	131	170.3	-57.3	-172.8	-171.8	-124.5	0	108.1	I46 G53 E54	I46-K49 HydrophobicContact CG2-CG 4.33Å; K49-G53 CarbonylContact C-O 3.5Å; K49-G53 WeakPolarHBondContact CA-O 3.4Å; K49-E54 WeakPolarHBondContact CE-OE2 3.43Å; K49-E54 HydrophobicContact CG-CG 4.27Å; K49-E54 IonicContact NZ-OE2 2.61Å; K49-E54 PolarHBondContact NZ-OE2 3.2Å
50	G	63.8	Low	78.5	Confident	56 Å²	56	46.1 Å²	46.1	58%	0.577	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	-179.2	-179.6	0	0	0	0	0	111.8	F52 G53	G50-F52 PolarHBondContact O-N 3.49Å; G50-G53 PolarHBondContact N-O 3.31Å; G50-G53 PolarHBondContact O-N 2.96Å
51	A	55.4	Low	78.2	Confident	101 Å²	101	45.1 Å²	45.1	84%	0.835	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.9	-176.7	0	0	0	0	0	114.5
52	F	58.1	Low	77.6	Confident	73 Å²	73	49.7 Å²	49.7	32%	0.32	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	0	179.5	-53.4	-66.3	0	0	0	113.9	G50 V72 T81	G50-F52 PolarHBondContact O-N 3.49Å; F52-V72 WeakPolarHBondContact O-CA 3.41Å; F52-V72 WeakPolarHBondContact O-CG1 3.35Å; F52-V72 WeakPolarHBondContact O-CG2 3.46Å; F52-T81 HydrophobicContact CD1-CG2 4.12Å; F52-T81 HydrophobicContact CE1-CG2 3.73Å
53	G	72.1	Confident	77.1	Confident	35 Å²	35	52.8 Å²	52.8	36%	0.361	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	131.5	-144	178.7	0	0	0	0	0	114.5	K49 G50 E71	K49-G53 CarbonylContact C-O 3.5Å; K49-G53 WeakPolarHBondContact CA-O 3.4Å; G50-G53 PolarHBondContact N-O 3.31Å; G50-G53 PolarHBondContact O-N 2.96Å; G53-E71 CarbonylContact C-O 3.35Å; G53-E71 WeakPolarHBondContact CA-O 3.27Å
54	E	83.6	Confident	76.3	Confident	47 Å²	47	55 Å²	55	22%	0.22	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132	-164.5	-174.8	162.4	125.9	0	0	112.3	I46 K49 T56 E71	I46-E54 VanDerWaalsContact CD1-OE1 3.23Å; I46-E54 WeakPolarHBondContact CD1-OE1 3.2Å; I46-E54 HydrophobicContact CG1-CG 4.48Å; I46-E54 VanDerWaalsContact CG1-OE1 3.3Å; I46-E54 WeakPolarHBondContact CG1-OE1 3.5Å; I46-E54 HydrophobicContact CG2-CG 3.78Å; K49-E54 WeakPolarHBondContact CE-OE2 3.43Å; K49-E54 HydrophobicContact CG-CG 4.27Å; K49-E54 IonicContact NZ-OE2 2.61Å; K49-E54 PolarHBondContact NZ-OE2 3.2Å; E54-T56 PolarHBondContact OE1-OG1 2.88Å; E54-E71 PolarHBondContact N-O 3.43Å; E54-E71 PolarHBondContact O-N 2.65Å
55	A	88.5	Confident	76.2	Confident	29 Å²	29	55 Å²	55	24%	0.24	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	114.3	173.4	0	0	0	0	0	109.4	L47 G48 V68 W69	L47-A55 WeakPolarHBondContact CA-O 3.45Å; L47-A55 WeakPolarHBondContact CB-O 3.36Å; L47-A55 PolarHBondContact N-O 3.43Å; G48-A55 PolarHBondContact N-O 3.13Å; G48-A55 PolarHBondContact O-N 3.4Å; A55-V68 HydrophobicContact CB-CG1 4.25Å; A55-W69 WeakPolarHBondContact CA-O 3.19Å
56	T	88.5	Confident	76.6	Confident	8 Å²	8	53.3 Å²	53.3	5%	0.049	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.8	-176.2	-73.2	0	0	0	0	111.5	P43 E54 Y58 W69	P43-T56 HydrophobicContact CB-CG2 4.37Å; E54-T56 PolarHBondContact OE1-OG1 2.88Å; T56-Y58 HydrophobicContact CG2-CD2 3.95Å; T56-Y58 HydrophobicContact CG2-CE2 3.39Å; T56-Y58 WeakPolarHBondContact O-CD2 3.49Å; T56-W69 PolarHBondContact N-O 2.79Å; T56-W69 PolarHBondContact O-N 2.75Å
57	L	89.3	Confident	76.8	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	126.5	177.8	-175.8	64.7	0	0	0	110.3	I44 R45 L47 L66 V67 Y119	I44-L57 HydrophobicContact CB-CB 4.49Å; I44-L57 HydrophobicContact CB-CD2 4.3Å; I44-L57 HydrophobicContact CB-CG 4.36Å; I44-L57 HydrophobicContact CD1-CD2 4.07Å; I44-L57 HydrophobicContact CD1-CG 3.99Å; I44-L57 HydrophobicContact CG2-CD2 4.24Å; I44-L57 PolarHBondContact N-O 3.09Å; R45-L57 HydrophobicContact CG-CB 4.27Å; R45-L57 HydrophobicContact CG-CD2 4.38Å; R45-L57 WeakPolarHBondContact O-CB 3.4Å; R45-L57 PolarHBondContact O-N 3.03Å; L47-L57 HydrophobicContact CD1-CB 4.09Å; L47-L57 HydrophobicContact CD1-CD1 4.46Å; L47-L57 HydrophobicContact CD2-CB 4.04Å; L47-L57 HydrophobicContact CD2-CD2 4.45Å; L47-L57 HydrophobicContact CG-CB 3.95Å; L57-L66 HydrophobicContact CD1-CB 4.08Å; L57-V67 WeakPolarHBondContact CD1-O 3.4Å; L57-Y119 HydrophobicContact CD1-CD1 3.7Å; L57-Y119 HydrophobicContact CD1-CD2 3.66Å; L57-Y119 HydrophobicContact CD1-CE1 4Å; L57-Y119 HydrophobicContact CD1-CE2 4Å; L57-Y119 HydrophobicContact CD1-CG 3.52Å; L57-Y119 HydrophobicContact CD2-CE1 4.3Å
58	Y	87.1	Confident	77.2	Confident	18 Å²	18	47.1 Å²	47.1	7%	0.071	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	148	176.8	-71.9	-99.3	0	0	0	111.2	I42 P43 T56 L66 V67 W69 E71 V331	I42-Y58 CarbonylContact O-C 3.59Å; I42-Y58 WeakPolarHBondContact O-CA 3.45Å; P43-Y58 HydrophobicContact CB-CD1 3.84Å; P43-Y58 HydrophobicContact CB-CE1 3.53Å; P43-Y58 HydrophobicContact CG-CD1 4.42Å; P43-Y58 HydrophobicContact CG-CE1 3.99Å; T56-Y58 HydrophobicContact CG2-CD2 3.95Å; T56-Y58 HydrophobicContact CG2-CE2 3.39Å; T56-Y58 WeakPolarHBondContact O-CD2 3.49Å; Y58-L66 WeakPolarHBondContact O-CA 3.27Å; Y58-V67 PolarHBondContact N-O 3.28Å; Y58-V67 PolarHBondContact O-N 3.21Å; Y58-W69 HydrophobicContact CD2-CB 3.81Å; Y58-W69 AromaticContact CD2-CD2 3.84Å; Y58-W69 HydrophobicContact CD2-CD2 3.84Å; Y58-W69 HydrophobicContact CD2-CE3 4.23Å; Y58-W69 AromaticContact CD2-CG 3.61Å; Y58-W69 HydrophobicContact CD2-CG 3.61Å; Y58-W69 HydrophobicContact CE1-CE3 4.13Å; Y58-W69 HydrophobicContact CE1-CZ3 4.34Å; Y58-W69 HydrophobicContact CE2-CB 3.66Å; Y58-W69 AromaticContact CE2-CD2 3.76Å; Y58-W69 HydrophobicContact CE2-CD2 3.76Å; Y58-W69 AromaticContact CE2-CE3 3.7Å; Y58-W69 HydrophobicContact CE2-CE3 3.7Å; Y58-W69 AromaticContact CE2-CG 3.74Å; Y58-W69 HydrophobicContact CE2-CG 3.74Å; Y58-W69 HydrophobicContact CG-CD2 4.3Å; Y58-W69 HydrophobicContact CG-CG 4.37Å; Y58-W69 AromaticContact CZ-CE3 3.64Å; Y58-E71 PolarHBondContact OH-OE1 3.06Å; Y58-V331 HydrophobicContact CE1-CG1 3.81Å; Y58-V331 HydrophobicContact CE1-CG2 4.49Å
59	R	82.3	Confident	78	Confident	16 Å²	16	45.6 Å²	45.6	6%	0.06	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	125.7	163.8	172.5	169.4	66.6	93.6	1.9	110	Y41 I42 I44 N64 S65 L66 E715	Y41-R59 CarbonylContact C-O 3.51Å; Y41-R59 WeakPolarHBondContact CA-O 3.49Å; I42-R59 PolarHBondContact N-O 3.4Å; I42-R59 PolarHBondContact O-N 2.6Å; I44-R59 HydrophobicContact CD1-CB 3.91Å; I44-R59 HydrophobicContact CG1-CB 4.49Å; R59-N64 PolarHBondContact NH1-OD1 3.19Å; R59-S65 CarbonylContact C-O 3.53Å; R59-S65 VanDerWaalsContact CA-O 3.25Å; R59-S65 WeakPolarHBondContact CA-O 3.39Å; R59-L66 HydrophobicContact CB-CD2 4.22Å; R59-E715 IonicContact NH2-OE1 3.91Å
60	R	79.7	Confident	78.6	Confident	35 Å²	35	39.4 Å²	39.4	13%	0.132	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	138.4	164.2	-77.3	-177.5	178.1	-154.7	1.3	109.4	H40 Y41 E62 D63 N64 S65 V67 E116	H40-R60 WeakPolarHBondContact O-CA 3.38Å; Y41-R60 HydrophobicContact CD1-CG 3.91Å; Y41-R60 HydrophobicContact CE1-CG 3.46Å; Y41-R60 VanDerWaalsContact CE1-CG 3.46Å; R60-E62 WeakPolarHBondContact CB-OE2 3.16Å; R60-D63 WeakPolarHBondContact CB-OD1 3.38Å; R60-N64 WeakPolarHBondContact O-CA 3.49Å; R60-N64 PolarHBondContact O-N 3.43Å; R60-S65 PolarHBondContact N-O 2.9Å; R60-V67 HydrophobicContact CG-CG1 4.41Å; R60-E116 IonicContact CZ-OE1 2.8Å; R60-E116 VanDerWaalsContact CZ-OE1 3.25Å; R60-E116 IonicContact CZ-OE2 3.66Å; R60-E116 IonicContact NE-OE1 2.86Å; R60-E116 PolarHBondContact NE-OE1 3.42Å; R60-E116 IonicContact NH2-OE1 3.94Å; R60-E116 PolarHBondContact NH2-OE1 3.36Å; R60-E116 IonicContact NH2-OE2 3.08Å; R60-E116 PolarHBondContact NH2-OE2 2.95Å
61	T	73.9	Confident	79.8	Confident	41 Å²	41	39 Å²	39	25%	0.252	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-20.5	-172.8	78.2	0	0	0	0	114.3	H40 I42	H40-T61 HydrophobicContact CB-CG2 3.83Å; H40-T61 WeakPolarHBondContact CB-OG1 3.37Å; H40-T61 PolarHBondContact O-N 2.94Å; I42-T61 HydrophobicContact CD1-CG2 3.51Å; I42-T61 HydrophobicContact CG1-CG2 3.79Å
62	E	71.1	Confident	81.2	Confident	96 Å²	96	34.1 Å²	34.1	45%	0.449	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-42.8	-173.2	-54.1	65.3	-134.3	0	0	110.5	H40 R60	H40-E62 WeakPolarHBondContact CA-OE1 3.37Å; H40-E62 VanDerWaalsContact CB-OE1 3.3Å; H40-E62 WeakPolarHBondContact CB-OE1 3.3Å; H40-E62 IonicContact CD2-OE1 2.68Å; H40-E62 PolarHBondContact N-OE1 2.86Å; R60-E62 WeakPolarHBondContact CB-OE2 3.16Å
63	D	68.1	Low	82.4	Confident	74 Å²	74	33 Å²	33	40%	0.396	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-1.7	-175.5	64.2	7.3	0	0	0	113.4	R60 S65 K317	R60-D63 WeakPolarHBondContact CB-OD1 3.38Å; D63-S65 PolarHBondContact O-N 2.81Å; D63-S65 VanDerWaalsContact O-N 3.15Å; D63-S65 WeakPolarHBondContact OD1-CB 3.44Å; D63-S65 PolarHBondContact OD1-N 3.26Å; D63-S65 PolarHBondContact OD1-OG 3.19Å; D63-S65 PolarHBondContact OD2-OG 3.27Å; D63-K317 WeakPolarHBondContact OD2-CE 3.47Å; D63-K317 IonicContact OD2-NZ 3.81Å; D63-K317 PolarHBondContact OD2-NZ 2.9Å
64	N	66.9	Low	82.9	Confident	81 Å²	81	32.4 Å²	32.4	43%	0.433	17%	0.169	S	C	.	.			trans	57.9	14	-171.9	-66.8	-83.8	0	0	0	115.5	R59 R60	R59-N64 PolarHBondContact NH1-OD1 3.19Å; R60-N64 WeakPolarHBondContact O-CA 3.49Å; R60-N64 PolarHBondContact O-N 3.43Å
65	S	76.6	Confident	82.7	Confident	26 Å²	26	35.9 Å²	35.9	18%	0.182	19%	0.189	C	C	.	.			trans	-70.3	159.6	-179.8	68.3	0	0	0	0	112.7	R59 R60 D63 K317	R59-S65 CarbonylContact C-O 3.53Å; R59-S65 VanDerWaalsContact CA-O 3.25Å; R59-S65 WeakPolarHBondContact CA-O 3.39Å; R60-S65 PolarHBondContact N-O 2.9Å; D63-S65 PolarHBondContact O-N 2.81Å; D63-S65 VanDerWaalsContact O-N 3.15Å; D63-S65 WeakPolarHBondContact OD1-CB 3.44Å; D63-S65 PolarHBondContact OD1-N 3.26Å; D63-S65 PolarHBondContact OD1-OG 3.19Å; D63-S65 PolarHBondContact OD2-OG 3.27Å; S65-K317 PolarHBondContact OG-NZ 3.44Å
66	L	85.2	Confident	82	Confident	45 Å²	45	39.1 Å²	39.1	24%	0.236	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	134.4	176.4	-60.8	-179	0	0	0	110.5	I44 L57 Y58 R59 Y119 V375	I44-L66 HydrophobicContact CD1-CD2 3.37Å; L57-L66 HydrophobicContact CD1-CB 4.08Å; Y58-L66 WeakPolarHBondContact O-CA 3.27Å; R59-L66 HydrophobicContact CB-CD2 4.22Å; L66-Y119 HydrophobicContact CB-CD1 3.65Å; L66-Y119 HydrophobicContact CB-CG 4.27Å; L66-Y119 HydrophobicContact CD1-CD1 3.77Å; L66-Y119 HydrophobicContact CD1-CE1 3.83Å; L66-Y119 HydrophobicContact CG-CD1 4.38Å; L66-V375 HydrophobicContact CD2-CG1 3.94Å
67	V	89.7	Confident	81.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	155.4	175.5	-57.5	0	0	0	0	109.8	Y41 L57 Y58 R60 F104 E116	Y41-V67 HydrophobicContact CD1-CG2 4.31Å; Y41-V67 HydrophobicContact CE1-CG2 4.03Å; L57-V67 WeakPolarHBondContact CD1-O 3.4Å; Y58-V67 PolarHBondContact N-O 3.28Å; Y58-V67 PolarHBondContact O-N 3.21Å; R60-V67 HydrophobicContact CG-CG1 4.41Å; V67-F104 HydrophobicContact CG1-CD2 3.98Å; V67-F104 HydrophobicContact CG1-CE2 3.91Å; V67-E116 HydrophobicContact CB-CG 4.16Å; V67-E116 HydrophobicContact CG2-CG 4.18Å
68	V	91.5	Very high	80.8	Confident	19 Å²	19	43.4 Å²	43.4	12%	0.115	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	136.1	170.8	-174.9	0	0	0	0	108.6	L47 A55 E116 M117 Y119	L47-V68 HydrophobicContact CD1-CG1 4.19Å; L47-V68 HydrophobicContact CD1-CG2 3.73Å; A55-V68 HydrophobicContact CB-CG1 4.25Å; V68-E116 WeakPolarHBondContact O-CA 3.39Å; V68-M117 PolarHBondContact N-O 3.27Å; V68-M117 PolarHBondContact O-N 3.5Å; V68-Y119 HydrophobicContact CG2-CD2 3.63Å; V68-Y119 HydrophobicContact CG2-CG 4.23Å
69	W	91.3	Very high	80.3	Confident	1 Å²	1	49.2 Å²	49.2	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.6	162.3	-71.1	10.4	0	0	0	108.7	Y41 A55 T56 Y58 F107 L114 I115 A329 V331 I723	Y41-W69 AromaticContact CD1-CZ2 3.77Å; Y41-W69 HydrophobicContact CD1-CZ2 3.77Å; Y41-W69 AromaticContact CD1-NE1 3.94Å; Y41-W69 HydrophobicContact CD2-CH2 4.11Å; Y41-W69 AromaticContact CD2-CZ2 3.59Å; Y41-W69 HydrophobicContact CD2-CZ2 3.59Å; Y41-W69 AromaticContact CE1-CZ2 3.86Å; Y41-W69 HydrophobicContact CE1-CZ2 3.86Å; Y41-W69 AromaticContact CE1-NE1 3.67Å; Y41-W69 HydrophobicContact CE2-CH2 4.47Å; Y41-W69 AromaticContact CE2-CZ2 3.68Å; Y41-W69 HydrophobicContact CE2-CZ2 3.68Å; Y41-W69 HydrophobicContact CG-CH2 4.24Å; Y41-W69 AromaticContact CG-CZ2 3.63Å; Y41-W69 HydrophobicContact CG-CZ2 3.63Å; Y41-W69 AromaticContact CZ-CZ2 3.81Å; A55-W69 WeakPolarHBondContact CA-O 3.19Å; T56-W69 PolarHBondContact N-O 2.79Å; T56-W69 PolarHBondContact O-N 2.75Å; Y58-W69 HydrophobicContact CD2-CB 3.81Å; Y58-W69 AromaticContact CD2-CD2 3.84Å; Y58-W69 HydrophobicContact CD2-CD2 3.84Å; Y58-W69 HydrophobicContact CD2-CE3 4.23Å; Y58-W69 AromaticContact CD2-CG 3.61Å; Y58-W69 HydrophobicContact CD2-CG 3.61Å; Y58-W69 HydrophobicContact CE1-CE3 4.13Å; Y58-W69 HydrophobicContact CE1-CZ3 4.34Å; Y58-W69 HydrophobicContact CE2-CB 3.66Å; Y58-W69 AromaticContact CE2-CD2 3.76Å; Y58-W69 HydrophobicContact CE2-CD2 3.76Å; Y58-W69 AromaticContact CE2-CE3 3.7Å; Y58-W69 HydrophobicContact CE2-CE3 3.7Å; Y58-W69 AromaticContact CE2-CG 3.74Å; Y58-W69 HydrophobicContact CE2-CG 3.74Å; Y58-W69 HydrophobicContact CG-CD2 4.3Å; Y58-W69 HydrophobicContact CG-CG 4.37Å; Y58-W69 AromaticContact CZ-CE3 3.64Å; W69-F107 HydrophobicContact CH2-CD2 4.13Å; W69-F107 HydrophobicContact CH2-CE2 4.35Å; W69-F107 AromaticContact CZ2-CD2 3.82Å; W69-F107 HydrophobicContact CZ2-CD2 3.82Å; W69-F107 AromaticContact CZ2-CE2 3.65Å; W69-F107 HydrophobicContact CZ2-CE2 3.65Å; W69-F107 HydrophobicContact CZ2-CZ 4.48Å; W69-L114 HydrophobicContact CE3-CB 4.26Å; W69-L114 HydrophobicContact CE3-CD1 4.18Å; W69-L114 HydrophobicContact CE3-CD2 4.42Å; W69-L114 HydrophobicContact CZ3-CD1 3.84Å; W69-I115 CarbonylContact C-O 3.56Å; W69-I115 VanDerWaalsContact CA-O 3.29Å; W69-I115 WeakPolarHBondContact CA-O 3.22Å; W69-A329 HydrophobicContact CH2-CB 3.84Å; W69-A329 HydrophobicContact CZ2-CB 4.13Å; W69-V331 HydrophobicContact CH2-CG2 3.4Å; W69-V331 HydrophobicContact CZ2-CG2 4.49Å; W69-V331 HydrophobicContact CZ3-CG2 3.52Å; W69-I723 HydrophobicContact CH2-CD1 4.45Å; W69-I723 HydrophobicContact CZ3-CD1 4.16Å
70	K	88.4	Confident	79.9	Confident	25 Å²	25	53.9 Å²	53.9	11%	0.109	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	105.1	169.6	177.3	177.4	171.7	-176.1	0	107.1	V72 E88 I115 M117 D183	K70-V72 HydrophobicContact CG-CG2 4.3Å; K70-E88 IonicContact NZ-OE1 3.79Å; K70-E88 PolarHBondContact NZ-OE1 2.99Å; K70-E88 IonicContact NZ-OE2 3.64Å; K70-E88 PolarHBondContact NZ-OE2 2.76Å; K70-I115 HydrophobicContact CB-CB 4.3Å; K70-I115 PolarHBondContact N-O 3.25Å; K70-I115 PolarHBondContact O-N 3.39Å; K70-M117 HydrophobicContact CB-SD 4.3Å; K70-M117 HydrophobicContact CD-SD 4.49Å; K70-D183 IonicContact NZ-OD1 3.91Å; K70-D183 PolarHBondContact NZ-OD1 3.27Å
71	E	88.8	Confident	79.5	Confident	47 Å²	47	53.9 Å²	53.9	22%	0.22	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	123.4	-177.2	-45.7	-162	-172.8	0	0	110.4	G53 E54 Y58 T112 L113 L114	G53-E71 CarbonylContact C-O 3.35Å; G53-E71 WeakPolarHBondContact CA-O 3.27Å; E54-E71 PolarHBondContact N-O 3.43Å; E54-E71 PolarHBondContact O-N 2.65Å; Y58-E71 PolarHBondContact OH-OE1 3.06Å; E71-T112 HydrophobicContact CB-CG2 4.37Å; E71-L113 CarbonylContact C-O 3.59Å; E71-L113 WeakPolarHBondContact CA-O 3.33Å; E71-L114 HydrophobicContact CB-CD2 3.74Å; E71-L114 HydrophobicContact CG-CD2 3.46Å; E71-L114 VanDerWaalsContact CG-CD2 3.46Å
72	V	84.4	Confident	79.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	112.2	-174.3	-179.6	0	0	0	0	109.1	F52 K70 L74 L77 V85 T112 L113	F52-V72 WeakPolarHBondContact O-CA 3.41Å; F52-V72 WeakPolarHBondContact O-CG1 3.35Å; F52-V72 WeakPolarHBondContact O-CG2 3.46Å; K70-V72 HydrophobicContact CG-CG2 4.3Å; V72-L74 HydrophobicContact CG1-CD2 4.07Å; V72-L77 HydrophobicContact CG1-CD1 3.81Å; V72-V85 HydrophobicContact CG1-CG1 4.31Å; V72-V85 HydrophobicContact CG1-CG2 4.41Å; V72-T112 CarbonylContact O-C 3.57Å; V72-T112 WeakPolarHBondContact O-CA 3.47Å; V72-L113 HydrophobicContact CB-CB 4.34Å; V72-L113 PolarHBondContact N-O 3.02Å; V72-L113 PolarHBondContact O-N 3.34Å
73	D	84.1	Confident	80	Confident	50 Å²	50	59.9 Å²	59.9	27%	0.267	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	128.1	168.8	166.3	49.9	0	0	0	109.7	N75 S76 L77	D73-N75 WeakPolarHBondContact OD1-CB 3.31Å; D73-N75 PolarHBondContact OD1-N 3.04Å; D73-N75 PolarHBondContact OD1-ND2 2.78Å; D73-N75 PolarHBondContact OD2-N 3.34Å; D73-S76 VanDerWaalsContact OD2-CB 3.3Å; D73-S76 WeakPolarHBondContact OD2-CB 3.28Å; D73-S76 PolarHBondContact OD2-N 3.33Å; D73-S76 PolarHBondContact OD2-OG 3.09Å; D73-L77 WeakPolarHBondContact O-CG 3.31Å
74	L	82.4	Confident	80.3	Confident	21 Å²	21	59.1 Å²	59.1	11%	0.11	30%	0.3	C	S	.	.	S	Bend	trans	-90.7	-6.2	179	-54.2	178.8	0	0	0	113.3	V72 L77 V85 M108 N111 L113	V72-L74 HydrophobicContact CG1-CD2 4.07Å; L74-L77 HydrophobicContact CD2-CD1 4.03Å; L74-V85 HydrophobicContact CD2-CG1 4.47Å; L74-M108 HydrophobicContact CD1-CE 3.92Å; L74-N111 WeakPolarHBondContact CB-ND2 3.49Å; L74-N111 WeakPolarHBondContact CB-O 3.11Å; L74-N111 WeakPolarHBondContact CG-O 3.43Å; L74-N111 PolarHBondContact N-O 3.37Å; L74-L113 HydrophobicContact CD1-CB 4.21Å; L74-L113 HydrophobicContact CD2-CB 4.18Å; L74-L113 HydrophobicContact CD2-CD2 4.09Å; L74-L113 HydrophobicContact CG-CB 4.18Å
75	N	79.4	Confident	80.7	Confident	121 Å²	121	55.5 Å²	55.5	65%	0.647	28%	0.28	S	S	*	.	S	Bend	trans	-78.4	-37.9	178.9	-75.2	-58.8	0	0	0	112.1	D73 L77 N111	D73-N75 WeakPolarHBondContact OD1-CB 3.31Å; D73-N75 PolarHBondContact OD1-N 3.04Å; D73-N75 PolarHBondContact OD1-ND2 2.78Å; D73-N75 PolarHBondContact OD2-N 3.34Å; N75-L77 PolarHBondContact O-N 3.05Å; N75-N111 PolarHBondContact N-ND2 3.44Å; N75-N111 WeakPolarHBondContact ND2-CB 3.44Å; N75-N111 PolarHBondContact ND2-ND2 2.97Å; N75-N111 VanDerWaalsContact ND2-ND2 3.17Å; N75-N111 PolarHBondContact OD1-ND2 3.3Å; N75-N111 VanDerWaalsContact OD1-ND2 3.15Å
76	S	72.6	Confident	80.8	Confident	96 Å²	96	57.1 Å²	57.1	67%	0.671	29%	0.286	S	S	*	.	S	Bend	trans	-78.7	2	179.7	49	0	0	0	0	114.2	D73	D73-S76 VanDerWaalsContact OD2-CB 3.3Å; D73-S76 WeakPolarHBondContact OD2-CB 3.28Å; D73-S76 PolarHBondContact OD2-N 3.33Å; D73-S76 PolarHBondContact OD2-OG 3.09Å
77	L	76.7	Confident	80.6	Confident	35 Å²	35	57.4 Å²	57.4	18%	0.183	29%	0.288	C	S	.	.	S	Bend	trans	-103.1	141.7	-175.4	-62	-174.4	0	0	0	113.4	V72 D73 L74 N75 T81 V85	V72-L77 HydrophobicContact CG1-CD1 3.81Å; D73-L77 WeakPolarHBondContact O-CG 3.31Å; L74-L77 HydrophobicContact CD2-CD1 4.03Å; N75-L77 PolarHBondContact O-N 3.05Å; L77-T81 HydrophobicContact CD1-CG2 4.39Å; L77-T81 HydrophobicContact CD2-CG2 3.94Å; L77-V85 HydrophobicContact CD1-CG2 4.25Å
78	S	77.1	Confident	80.2	Confident	64 Å²	64	57.4 Å²	57.4	45%	0.448	29%	0.288	S	S	.	.			trans	-65.7	157	168.8	80.3	0	0	0	0	111.8	K80 T81 R82	S78-K80 PolarHBondContact O-N 3.41Å; S78-K80 VanDerWaalsContact O-N 3.09Å; S78-K80 PolarHBondContact OG-N 3.06Å; S78-T81 PolarHBondContact O-N 3.43Å; S78-T81 VanDerWaalsContact O-N 3.07Å; S78-T81 PolarHBondContact OG-N 2.76Å; S78-T81 VanDerWaalsContact OG-N 3.15Å; S78-T81 PolarHBondContact OG-OG1 2.97Å; S78-R82 WeakPolarHBondContact O-CB 3.43Å; S78-R82 PolarHBondContact O-N 3.41Å
79	E	75.8	Confident	79.8	Confident	141 Å²	141	57.1 Å²	57.1	66%	0.659	29%	0.286	S	S	*	.	H	α-helix	trans	-58.5	-23.8	174.3	-65.9	-159.9	129.4	0	0	114.3	R83	E79-R83 WeakPolarHBondContact O-CG 3.42Å; E79-R83 PolarHBondContact O-N 2.84Å; E79-R83 PolarHBondContact O-NE 3.37Å
80	K	74.4	Confident	79.5	Confident	113 Å²	113	60.5 Å²	60.5	49%	0.491	31%	0.309	S	S	.	.	H	α-helix	trans	-70.9	-57	171.9	-176.8	-174.1	171.2	-172.5	0	109.3	S78 R82 R83 D84	S78-K80 PolarHBondContact O-N 3.41Å; S78-K80 VanDerWaalsContact O-N 3.09Å; S78-K80 PolarHBondContact OG-N 3.06Å; K80-R82 VanDerWaalsContact C-N 3.27Å; K80-R82 PolarHBondContact O-N 2.91Å; K80-R83 WeakPolarHBondContact O-CA 3.38Å; K80-R83 WeakPolarHBondContact O-CB 3.39Å; K80-R83 PolarHBondContact O-N 3.26Å; K80-D84 PolarHBondContact O-N 2.93Å
81	T	71.5	Confident	79.3	Confident	35 Å²	35	59.4 Å²	59.4	22%	0.215	31%	0.305	C	S	.	.	H	α-helix	trans	-59	-37.4	-179.3	-37.1	0	0	0	0	112.4	F52 L77 S78 R83 D84 V85	F52-T81 HydrophobicContact CD1-CG2 4.12Å; F52-T81 HydrophobicContact CE1-CG2 3.73Å; L77-T81 HydrophobicContact CD1-CG2 4.39Å; L77-T81 HydrophobicContact CD2-CG2 3.94Å; S78-T81 PolarHBondContact O-N 3.43Å; S78-T81 VanDerWaalsContact O-N 3.07Å; S78-T81 PolarHBondContact OG-N 2.76Å; S78-T81 VanDerWaalsContact OG-N 3.15Å; S78-T81 PolarHBondContact OG-OG1 2.97Å; T81-R83 VanDerWaalsContact C-N 3.32Å; T81-R83 PolarHBondContact O-N 3.01Å; T81-D84 PolarHBondContact O-N 3.31Å; T81-V85 WeakPolarHBondContact O-CG2 3.37Å; T81-V85 PolarHBondContact O-N 3.14Å
82	R	77.3	Confident	79.1	Confident	105 Å²	105	57.4 Å²	57.4	40%	0.396	30%	0.295	S	S	.	.	H	α-helix	trans	-63	-35.7	174.5	-166.6	177.3	72.8	86.7	-4.4	112.3	S78 K80 M86	S78-R82 WeakPolarHBondContact O-CB 3.43Å; S78-R82 PolarHBondContact O-N 3.41Å; K80-R82 VanDerWaalsContact C-N 3.27Å; K80-R82 PolarHBondContact O-N 2.91Å; R82-M86 VanDerWaalsContact O-CG 3.32Å; R82-M86 WeakPolarHBondContact O-CG 3.19Å; R82-M86 PolarHBondContact O-N 3.39Å
83	R	77.4	Confident	79.1	Confident	158 Å²	158	60.4 Å²	60.4	60%	0.596	32%	0.316	S	S	*	.	H	α-helix	trans	-71.9	-40.3	172.5	-76.8	176.7	-74.3	166.9	-8.7	111.9	E79 K80 T81 V85 M86 N87	E79-R83 WeakPolarHBondContact O-CG 3.42Å; E79-R83 PolarHBondContact O-N 2.84Å; E79-R83 PolarHBondContact O-NE 3.37Å; K80-R83 WeakPolarHBondContact O-CA 3.38Å; K80-R83 WeakPolarHBondContact O-CB 3.39Å; K80-R83 PolarHBondContact O-N 3.26Å; T81-R83 VanDerWaalsContact C-N 3.32Å; T81-R83 PolarHBondContact O-N 3.01Å; R83-V85 VanDerWaalsContact C-N 3.33Å; R83-V85 PolarHBondContact O-N 3.49Å; R83-M86 PolarHBondContact O-N 3.36Å; R83-N87 WeakPolarHBondContact O-CB 3.34Å; R83-N87 PolarHBondContact O-N 2.82Å
84	D	74	Confident	79.2	Confident	58 Å²	58	61.4 Å²	61.4	31%	0.31	32%	0.32	S	S	.	.	H	α-helix	trans	-59.7	-43.4	177.1	-61.8	-40.2	0	0	0	111	K80 T81 N87 E88	K80-D84 PolarHBondContact O-N 2.93Å; T81-D84 PolarHBondContact O-N 3.31Å; D84-N87 CarbonylContact O-C 3.48Å; D84-N87 WeakPolarHBondContact O-CB 3.46Å; D84-N87 PolarHBondContact O-N 3.28Å; D84-E88 PolarHBondContact O-N 2.95Å
85	V	76.4	Confident	79.5	Confident	5 Å²	5	61 Å²	61	3%	0.03	32%	0.318	C	S	.	.	H	α-helix	trans	-66.7	-40	175.5	171.9	0	0	0	0	113.1	V72 L74 L77 T81 R83 N87 E88 I89 L113	V72-V85 HydrophobicContact CG1-CG1 4.31Å; V72-V85 HydrophobicContact CG1-CG2 4.41Å; L74-V85 HydrophobicContact CD2-CG1 4.47Å; L77-V85 HydrophobicContact CD1-CG2 4.25Å; T81-V85 WeakPolarHBondContact O-CG2 3.37Å; T81-V85 PolarHBondContact O-N 3.14Å; R83-V85 VanDerWaalsContact C-N 3.33Å; R83-V85 PolarHBondContact O-N 3.49Å; V85-N87 VanDerWaalsContact C-N 3.29Å; V85-N87 PolarHBondContact O-N 3.14Å; V85-E88 WeakPolarHBondContact O-CB 3.43Å; V85-E88 PolarHBondContact O-N 3.05Å; V85-I89 PolarHBondContact O-N 3.45Å; V85-L113 HydrophobicContact CG1-CD2 3.52Å
86	M	79.2	Confident	79.9	Confident	61 Å²	61	60.8 Å²	60.8	30%	0.3	31%	0.313	S	S	.	.	H	α-helix	trans	-66.7	-32.9	174.1	-69.9	-59.3	-58	0	0	112	R82 R83 S90 I730	R82-M86 VanDerWaalsContact O-CG 3.32Å; R82-M86 WeakPolarHBondContact O-CG 3.19Å; R82-M86 PolarHBondContact O-N 3.39Å; R83-M86 PolarHBondContact O-N 3.36Å; M86-S90 PolarHBondContact O-N 3.46Å; M86-I730 HydrophobicContact CE-CD1 3.74Å; M86-I730 HydrophobicContact SD-CD1 4.47Å
87	N	79.5	Confident	80.9	Confident	50 Å²	50	58.1 Å²	58.1	27%	0.267	29%	0.29	S	S	.	.	H	α-helix	trans	-69.8	-35.9	172	167.3	84	0	0	0	112	R83 D84 V85 I89 S90 I91 A187	R83-N87 WeakPolarHBondContact O-CB 3.34Å; R83-N87 PolarHBondContact O-N 2.82Å; D84-N87 CarbonylContact O-C 3.48Å; D84-N87 WeakPolarHBondContact O-CB 3.46Å; D84-N87 PolarHBondContact O-N 3.28Å; V85-N87 VanDerWaalsContact C-N 3.29Å; V85-N87 PolarHBondContact O-N 3.14Å; N87-I89 PolarHBondContact O-N 3.49Å; N87-S90 PolarHBondContact O-N 3.24Å; N87-I91 WeakPolarHBondContact O-CB 3.35Å; N87-I91 WeakPolarHBondContact O-CG1 3.23Å; N87-I91 PolarHBondContact O-N 3.45Å; N87-A187 PolarHBondContact ND2-O 3.28Å
88	E	82.4	Confident	81.6	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-55.5	-50.9	170.3	177.2	175.9	-172.8	0	0	111	K70 D84 V85 S90 I91 L92 G185	K70-E88 IonicContact NZ-OE1 3.79Å; K70-E88 PolarHBondContact NZ-OE1 2.99Å; K70-E88 IonicContact NZ-OE2 3.64Å; K70-E88 PolarHBondContact NZ-OE2 2.76Å; D84-E88 PolarHBondContact O-N 2.95Å; V85-E88 WeakPolarHBondContact O-CB 3.43Å; V85-E88 PolarHBondContact O-N 3.05Å; E88-S90 PolarHBondContact O-N 3.24Å; E88-I91 PolarHBondContact O-N 3.05Å; E88-L92 HydrophobicContact CG-CD1 3.75Å; E88-L92 HydrophobicContact CG-CG 4.23Å; E88-L92 WeakPolarHBondContact O-CB 3.42Å; E88-L92 WeakPolarHBondContact O-CG 3.48Å; E88-L92 PolarHBondContact O-N 3.26Å; E88-G185 VanDerWaalsContact CD-CA 3.48Å; E88-G185 VanDerWaalsContact CD-N 3.3Å; E88-G185 PolarHBondContact OE1-N 3.46Å; E88-G185 VanDerWaalsContact OE2-CA 3.24Å; E88-G185 WeakPolarHBondContact OE2-CA 3.45Å
89	I	82.6	Confident	82.5	Confident	13 Å²	13	54.4 Å²	54.4	7%	0.067	27%	0.266	C	S	.	.	H	α-helix	trans	-61.4	-43.7	176.9	-66.8	-177.9	0	0	0	111.5	V85 N87 I91 L92 S93 Y103 H106 L113 I115	V85-I89 PolarHBondContact O-N 3.45Å; N87-I89 PolarHBondContact O-N 3.49Å; I89-I91 VanDerWaalsContact C-N 3.25Å; I89-I91 PolarHBondContact O-N 3.31Å; I89-L92 PolarHBondContact O-N 2.78Å; I89-S93 WeakPolarHBondContact O-CB 3.34Å; I89-S93 PolarHBondContact O-N 2.87Å; I89-S93 PolarHBondContact O-OG 3.36Å; I89-Y103 HydrophobicContact CG2-CE2 4.41Å; I89-H106 HydrophobicContact CD1-CB 4.16Å; I89-L113 HydrophobicContact CD1-CD1 3.72Å; I89-L113 HydrophobicContact CD1-CD2 3.7Å; I89-L113 HydrophobicContact CD1-CG 3.99Å; I89-I115 HydrophobicContact CD1-CD1 3.98Å; I89-I115 HydrophobicContact CD1-CG1 3.8Å; I89-I115 HydrophobicContact CG1-CD1 3.75Å; I89-I115 HydrophobicContact CG1-CG1 3.97Å
90	S	84.6	Confident	83.3	Confident	72 Å²	72	47.9 Å²	47.9	50%	0.503	24%	0.235	S	C	.	.	H	α-helix	trans	-62.8	-32	179.2	-172	0	0	0	0	112.9	M86 N87 E88 S93	M86-S90 PolarHBondContact O-N 3.46Å; N87-S90 PolarHBondContact O-N 3.24Å; E88-S90 PolarHBondContact O-N 3.24Å; S90-S93 PolarHBondContact O-OG 3.44Å
91	I	85.6	Confident	84.1	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-76.7	-51.7	175	-70.6	170.3	0	0	0	109.7	N87 E88 I89 S93 M94 L95 V161 Y184 A187	N87-I91 WeakPolarHBondContact O-CB 3.35Å; N87-I91 WeakPolarHBondContact O-CG1 3.23Å; N87-I91 PolarHBondContact O-N 3.45Å; E88-I91 PolarHBondContact O-N 3.05Å; I89-I91 VanDerWaalsContact C-N 3.25Å; I89-I91 PolarHBondContact O-N 3.31Å; I91-S93 PolarHBondContact O-N 2.67Å; I91-M94 HydrophobicContact CB-CE 4.28Å; I91-M94 HydrophobicContact CG1-CE 3.96Å; I91-M94 HydrophobicContact CG2-CE 4.36Å; I91-M94 WeakPolarHBondContact O-CG 3.28Å; I91-M94 PolarHBondContact O-N 3.43Å; I91-M94 VanDerWaalsContact O-N 3.1Å; I91-L95 HydrophobicContact CG2-CD1 3.8Å; I91-L95 HydrophobicContact CG2-CG 4.38Å; I91-L95 WeakPolarHBondContact O-CG 3.48Å; I91-L95 PolarHBondContact O-N 3.1Å; I91-V161 HydrophobicContact CD1-CG1 4.32Å; I91-V161 HydrophobicContact CG2-CG1 3.95Å; I91-V161 HydrophobicContact CG2-CG2 4.39Å; I91-Y184 HydrophobicContact CG2-CD1 3.84Å; I91-Y184 HydrophobicContact CG2-CG 4.45Å; I91-A187 HydrophobicContact CD1-CB 3.72Å; I91-A187 HydrophobicContact CG2-CB 4.29Å
92	L	84.5	Confident	85	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-54.8	-38.3	179.3	-77.2	176.3	0	0	0	113	E88 I89 M94 L95 Y103 I115 Y184	E88-L92 HydrophobicContact CG-CD1 3.75Å; E88-L92 HydrophobicContact CG-CG 4.23Å; E88-L92 WeakPolarHBondContact O-CB 3.42Å; E88-L92 WeakPolarHBondContact O-CG 3.48Å; E88-L92 PolarHBondContact O-N 3.26Å; I89-L92 PolarHBondContact O-N 2.78Å; L92-M94 VanDerWaalsContact C-N 3.29Å; L92-M94 PolarHBondContact O-N 3.36Å; L92-L95 PolarHBondContact O-N 3.22Å; L92-Y103 HydrophobicContact CB-CD2 3.99Å; L92-Y103 HydrophobicContact CB-CG 4.13Å; L92-Y103 HydrophobicContact CD1-CD2 4.48Å; L92-I115 HydrophobicContact CD1-CG2 4.27Å; L92-Y184 HydrophobicContact CD2-CD2 3.54Å; L92-Y184 HydrophobicContact CD2-CE2 4.26Å; L92-Y184 HydrophobicContact CD2-CG 3.99Å
93	S	84.4	Confident	85.5	Confident	64 Å²	64	39.6 Å²	39.6	45%	0.448	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-20.5	-178.7	70.6	0	0	0	0	114.6	I89 S90 I91	I89-S93 WeakPolarHBondContact O-CB 3.34Å; I89-S93 PolarHBondContact O-N 2.87Å; I89-S93 PolarHBondContact O-OG 3.36Å; S90-S93 PolarHBondContact O-OG 3.44Å; I91-S93 PolarHBondContact O-N 2.67Å
94	M	85.9	Confident	85.9	Confident	71 Å²	71	35.5 Å²	35.5	35%	0.35	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-3.3	178.5	66.4	165.8	177	0	0	114.5	I91 L92 V161 K189	I91-M94 HydrophobicContact CB-CE 4.28Å; I91-M94 HydrophobicContact CG1-CE 3.96Å; I91-M94 HydrophobicContact CG2-CE 4.36Å; I91-M94 WeakPolarHBondContact O-CG 3.28Å; I91-M94 PolarHBondContact O-N 3.43Å; I91-M94 VanDerWaalsContact O-N 3.1Å; L92-M94 VanDerWaalsContact C-N 3.29Å; L92-M94 PolarHBondContact O-N 3.36Å; M94-V161 HydrophobicContact CE-CG2 3.52Å; M94-K189 HydrophobicContact CE-CD 4.02Å
95	L	87.8	Confident	86.4	Confident	11 Å²	11	34.1 Å²	34.1	6%	0.058	18%	0.184	C	C	.	.			trans	-98.1	125.6	179.6	-62	177.5	0	0	0	111.5	I91 L92 Y155 I156 A159 Y184	I91-L95 HydrophobicContact CG2-CD1 3.8Å; I91-L95 HydrophobicContact CG2-CG 4.38Å; I91-L95 WeakPolarHBondContact O-CG 3.48Å; I91-L95 PolarHBondContact O-N 3.1Å; L92-L95 PolarHBondContact O-N 3.22Å; L95-Y155 HydrophobicContact CB-CE1 4.25Å; L95-Y155 HydrophobicContact CD2-CD1 4.12Å; L95-Y155 HydrophobicContact CD2-CE1 3.69Å; L95-I156 HydrophobicContact CD1-CG2 3.91Å; L95-I156 HydrophobicContact CD2-CG2 4Å; L95-A159 HydrophobicContact CD2-CB 4.16Å; L95-Y184 HydrophobicContact CD1-CD1 3.93Å; L95-Y184 HydrophobicContact CD1-CE1 3.44Å; L95-Y184 VanDerWaalsContact CD1-CE1 3.44Å; L95-Y184 HydrophobicContact CD1-CE2 4.48Å
96	E	88.8	Confident	86.9	Confident	118 Å²	118	36.5 Å²	36.5	55%	0.551	20%	0.195	S	C	*	.			trans	-138.3	98.2	174.7	178.8	157.2	-145.9	0	0	110.5	Y155 K319	E96-Y155 PolarHBondContact N-OH 2.88Å; E96-Y155 WeakPolarHBondContact O-CE2 3.18Å; E96-Y155 VanDerWaalsContact O-CZ 3.25Å; E96-Y155 PolarHBondContact O-OH 3.46Å; E96-Y155 VanDerWaalsContact O-OH 3.07Å; E96-K319 VanDerWaalsContact OE1-CE 3.23Å; E96-K319 WeakPolarHBondContact OE1-CE 3.47Å; E96-K319 IonicContact OE1-NZ 2.67Å; E96-K319 PolarHBondContact OE1-NZ 3.15Å; E96-K319 WeakPolarHBondContact OE2-CE 3.48Å; E96-K319 IonicContact OE2-NZ 3.27Å; E96-K319 PolarHBondContact OE2-NZ 3.3Å
97	H	92.4	Very high	87.2	Confident	39 Å²	39	33.6 Å²	33.6	18%	0.181	18%	0.18	C	C	.	.			trans	-144.8	148.4	-178.2	-171.3	-115.1	0	0	0	112.4	N99 I100 S151 Y155	H97-N99 PolarHBondContact ND1-N 2.9Å; H97-N99 PolarHBondContact O-N 2.85Å; H97-I100 HydrophobicContact CB-CB 4.14Å; H97-I100 HydrophobicContact CB-CD1 3.72Å; H97-I100 HydrophobicContact CB-CG1 3.89Å; H97-I100 PolarHBondContact O-N 3.24Å; H97-S151 PolarHBondContact CE1-OG 3.39Å; H97-S151 VanDerWaalsContact CE1-OG 3.25Å; H97-S151 PolarHBondContact NE2-OG 3.09Å; H97-Y155 HydrophobicContact CB-CD1 3.93Å; H97-Y155 HydrophobicContact CB-CD2 4.05Å; H97-Y155 HydrophobicContact CB-CE1 4.17Å; H97-Y155 HydrophobicContact CB-CE2 4.27Å; H97-Y155 HydrophobicContact CB-CG 3.88Å; H97-Y155 AromaticContact CD2-CD2 3.86Å; H97-Y155 AromaticContact CG-CG 3.95Å
98	N	91.9	Very high	87.3	Confident	20 Å²	20	33.8 Å²	33.8	11%	0.107	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.3	-176.9	-70.4	-21.9	0	0	0	113.8	K180 V308 V309 N312 K316	N98-K180 WeakPolarHBondContact O-CE 3.45Å; N98-K180 PolarHBondContact O-NZ 2.89Å; N98-V308 HydrophobicContact CB-CG1 3.36Å; N98-V309 WeakPolarHBondContact ND2-CG2 3.47Å; N98-N312 PolarHBondContact O-ND2 2.96Å; N98-N312 PolarHBondContact O-OD1 2.94Å; N98-K316 VanDerWaalsContact OD1-CE 3.23Å; N98-K316 WeakPolarHBondContact OD1-CE 3.44Å; N98-K316 PolarHBondContact OD1-NZ 3.21Å
99	N	95.4	Very high	87.2	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.011	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	20.9	179.8	-61.7	109.7	0	0	0	113.7	H97 Q148 A152 M179 K180 L181 V308	H97-N99 PolarHBondContact ND1-N 2.9Å; H97-N99 PolarHBondContact O-N 2.85Å; N99-Q148 HydrophobicContact CB-CB 4.47Å; N99-Q148 WeakPolarHBondContact CB-O 3.24Å; N99-Q148 WeakPolarHBondContact ND2-CG 3.48Å; N99-Q148 PolarHBondContact ND2-OE1 2.79Å; N99-A152 HydrophobicContact CB-CB 4.08Å; N99-M179 WeakPolarHBondContact CA-O 3.49Å; N99-M179 WeakPolarHBondContact CB-O 3.36Å; N99-M179 PolarHBondContact ND2-O 3.44Å; N99-K180 WeakPolarHBondContact O-CA 3.38Å; N99-L181 PolarHBondContact O-N 2.95Å; N99-V308 WeakPolarHBondContact OD1-CG1 3.23Å
100	I	93.9	Very high	87.1	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.015	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-114.5	145.1	168.9	-63.9	175.5	0	0	0	107.9	H97 A102 A152 Y155 I156 K180 Y184	H97-I100 HydrophobicContact CB-CB 4.14Å; H97-I100 HydrophobicContact CB-CD1 3.72Å; H97-I100 HydrophobicContact CB-CG1 3.89Å; H97-I100 PolarHBondContact O-N 3.24Å; I100-A102 PolarHBondContact O-N 3.44Å; I100-A152 HydrophobicContact CG1-CB 3.97Å; I100-Y155 HydrophobicContact CD1-CD1 3.69Å; I100-Y155 HydrophobicContact CD1-CE1 4.31Å; I100-Y155 HydrophobicContact CD1-CG 4.46Å; I100-I156 HydrophobicContact CD1-CG2 3.57Å; I100-K180 WeakPolarHBondContact O-CD 3.32Å; I100-Y184 HydrophobicContact CG2-CE2 4.01Å
101	I	91.3	Very high	87	Confident	8 Å²	8	43 Å²	43	4%	0.041	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-58.5	116.5	171.2	-68.1	-72.5	0	0	0	108.8	Y103 M117 E118 C120 F172 K180 L181	I101-Y103 PolarHBondContact O-N 2.93Å; I101-M117 HydrophobicContact CG2-CB 4.06Å; I101-M117 HydrophobicContact CG2-CE 3.65Å; I101-E118 HydrophobicContact CG2-CB 4.26Å; I101-C120 HydrophobicContact CD1-CB 4.49Å; I101-C120 WeakPolarHBondContact CD1-SG 3.36Å; I101-F172 HydrophobicContact CD1-CB 4.2Å; I101-F172 HydrophobicContact CD1-CD2 3.95Å; I101-F172 HydrophobicContact CD1-CG 4.3Å; I101-F172 HydrophobicContact CG1-CD2 3.95Å; I101-K180 HydrophobicContact CD1-CB 3.57Å; I101-K180 HydrophobicContact CD1-CG 4.39Å; I101-K180 HydrophobicContact CG1-CB 3.96Å; I101-L181 PolarHBondContact N-O 3.01Å
102	A	89.1	Confident	87	Confident	34 Å²	34	44.7 Å²	44.7	28%	0.281	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-68.4	128.8	179.5	0	0	0	0	0	111.3	I100 F104 M117 E118	I100-A102 PolarHBondContact O-N 3.44Å; A102-F104 HydrophobicContact CB-CD1 4.43Å; A102-F104 HydrophobicContact CB-CE1 3.8Å; A102-F104 HydrophobicContact CB-CZ 4.34Å; A102-M117 WeakPolarHBondContact O-CA 3.27Å; A102-E118 HydrophobicContact CB-CB 4.1Å; A102-E118 WeakPolarHBondContact CB-OE2 3.37Å; A102-E118 PolarHBondContact N-OE2 2.92Å; A102-E118 PolarHBondContact O-N 3.23Å
103	Y	88.4	Confident	87	Confident	38 Å²	38	44.7 Å²	44.7	15%	0.149	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	136.2	165	168.7	-90.7	0	0	0	109.6	I89 L92 I101 N105 H106 I115	I89-Y103 HydrophobicContact CG2-CE2 4.41Å; L92-Y103 HydrophobicContact CB-CD2 3.99Å; L92-Y103 HydrophobicContact CB-CG 4.13Å; L92-Y103 HydrophobicContact CD1-CD2 4.48Å; I101-Y103 PolarHBondContact O-N 2.93Å; Y103-N105 VanDerWaalsContact CE2-O 3.24Å; Y103-N105 WeakPolarHBondContact CE2-O 3.47Å; Y103-N105 VanDerWaalsContact CZ-C 3.48Å; Y103-N105 VanDerWaalsContact OH-C 3.24Å; Y103-H106 PolarHBondContact OH-N 2.67Å; Y103-H106 PolarHBondContact OH-ND1 2.73Å; Y103-I115 HydrophobicContact CD2-CG2 4.09Å; Y103-I115 HydrophobicContact CE2-CG2 4.09Å
104	F	85.7	Confident	87.2	Confident	71 Å²	71	41.8 Å²	41.8	31%	0.311	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-48.1	178.8	-61.3	-37.2	0	0	0	112.6	V67 A102 E116 E118	V67-F104 HydrophobicContact CG1-CD2 3.98Å; V67-F104 HydrophobicContact CG1-CE2 3.91Å; A102-F104 HydrophobicContact CB-CD1 4.43Å; A102-F104 HydrophobicContact CB-CE1 3.8Å; A102-F104 HydrophobicContact CB-CZ 4.34Å; F104-E116 HydrophobicContact CB-CB 4.41Å; F104-E116 HydrophobicContact CB-CG 4Å; F104-E116 WeakPolarHBondContact CB-OE2 3.45Å; F104-E116 HydrophobicContact CD2-CG 4.15Å; F104-E116 PolarHBondContact N-O 2.76Å; F104-E118 HydrophobicContact CE2-CB 4.22Å; F104-E118 HydrophobicContact CZ-CB 3.96Å; F104-E118 HydrophobicContact CZ-CG 4.47Å
105	N	84.6	Confident	87.3	Confident	30 Å²	30	38.4 Å²	38.4	16%	0.16	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	177.7	-176.7	-153.3	-4.6	0	0	0	112.2	Y103 F107 E116 P327	Y103-N105 VanDerWaalsContact CE2-O 3.24Å; Y103-N105 WeakPolarHBondContact CE2-O 3.47Å; Y103-N105 VanDerWaalsContact CZ-C 3.48Å; Y103-N105 VanDerWaalsContact OH-C 3.24Å; N105-F107 HydrophobicContact CB-CE2 4.23Å; N105-F107 HydrophobicContact CB-CZ 4.05Å; N105-F107 WeakPolarHBondContact ND2-CE1 3.5Å; N105-F107 WeakPolarHBondContact ND2-CZ 3.34Å; N105-E116 HydrophobicContact CB-CB 4.31Å; N105-E116 WeakPolarHBondContact CB-OE2 3.38Å; N105-E116 PolarHBondContact N-O 3.45Å; N105-E116 PolarHBondContact O-N 3.11Å; N105-P327 WeakPolarHBondContact ND2-CG 2.98Å
106	H	87.4	Confident	87.4	Confident	54 Å²	54	37.9 Å²	37.9	25%	0.25	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	153.7	160	71.4	-73.9	0	0	0	111.7	I89 Y103 L113 L114 S725	I89-H106 HydrophobicContact CD1-CB 4.16Å; Y103-H106 PolarHBondContact OH-N 2.67Å; Y103-H106 PolarHBondContact OH-ND1 2.73Å; H106-L113 HydrophobicContact CB-CD1 4.45Å; H106-L114 CarbonylContact C-O 3.55Å; H106-L114 WeakPolarHBondContact CA-O 3.45Å; H106-S725 PolarHBondContact O-OG 2.79Å
107	F	85.8	Confident	87.5	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	154.7	177.8	-47.8	-84.9	0	0	0	110.4	Y41 W69 N105 L114 E116 A329 I723 S725	Y41-F107 HydrophobicContact CE2-CE2 4.47Å; Y41-F107 HydrophobicContact CE2-CZ 4.17Å; W69-F107 HydrophobicContact CH2-CD2 4.13Å; W69-F107 HydrophobicContact CH2-CE2 4.35Å; W69-F107 AromaticContact CZ2-CD2 3.82Å; W69-F107 HydrophobicContact CZ2-CD2 3.82Å; W69-F107 AromaticContact CZ2-CE2 3.65Å; W69-F107 HydrophobicContact CZ2-CE2 3.65Å; W69-F107 HydrophobicContact CZ2-CZ 4.48Å; N105-F107 HydrophobicContact CB-CE2 4.23Å; N105-F107 HydrophobicContact CB-CZ 4.05Å; N105-F107 WeakPolarHBondContact ND2-CE1 3.5Å; N105-F107 WeakPolarHBondContact ND2-CZ 3.34Å; F107-L114 HydrophobicContact CB-CB 4.2Å; F107-L114 HydrophobicContact CB-CD1 4.29Å; F107-L114 PolarHBondContact N-O 3.31Å; F107-L114 PolarHBondContact O-N 2.86Å; F107-E116 HydrophobicContact CE2-CB 4.28Å; F107-A329 HydrophobicContact CD1-CB 3.66Å; F107-A329 HydrophobicContact CD2-CB 4.32Å; F107-A329 HydrophobicContact CE1-CB 3.6Å; F107-A329 HydrophobicContact CE2-CB 4.25Å; F107-A329 HydrophobicContact CG-CB 4.05Å; F107-A329 HydrophobicContact CZ-CB 3.91Å; F107-I723 HydrophobicContact CB-CG2 3.98Å; F107-S725 WeakPolarHBondContact CD1-OG 3.36Å
108	M	80.7	Confident	87.3	Confident	54 Å²	54	32.2 Å²	32.2	27%	0.266	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	108.2	178.8	-174.5	102.7	-62.9	0	0	109.7	L74 L113	L74-M108 HydrophobicContact CD1-CE 3.92Å; M108-L113 VanDerWaalsContact CE-CA 3.48Å; M108-L113 HydrophobicContact CE-CB 3.63Å; M108-L113 HydrophobicContact CE-CD1 3.68Å; M108-L113 HydrophobicContact CE-CG 4.24Å
109	D	80.1	Confident	87.2	Confident	30 Å²	30	33.1 Å²	33.1	16%	0.16	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	96.2	171.5	-175.5	69.9	0	0	0	110.2	N111 T112 L114 K721 I723	D109-N111 VanDerWaalsContact C-N 3.28Å; D109-N111 PolarHBondContact O-N 3.18Å; D109-T112 PolarHBondContact N-O 3.41Å; D109-T112 PolarHBondContact O-N 2.9Å; D109-L114 HydrophobicContact CB-CD1 4.09Å; D109-K721 WeakPolarHBondContact OD1-CE 3.4Å; D109-K721 IonicContact OD1-NZ 3.55Å; D109-K721 PolarHBondContact OD1-NZ 3.38Å; D109-K721 IonicContact OD2-NZ 3.42Å; D109-K721 PolarHBondContact OD2-NZ 2.94Å; D109-I723 HydrophobicContact CB-CD1 4.39Å; D109-I723 HydrophobicContact CB-CG2 3.94Å
110	K	81.1	Confident	86.9	Confident	193 Å²	193	33.5 Å²	33.5	84%	0.839	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	-82.1	-174.8	-51.3	174.7	-176.9	179.1	0	112.4
111	N	81.7	Confident	86.4	Confident	58 Å²	58	36 Å²	36	31%	0.31	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137	7.7	-180	-150.1	79.5	0	0	0	112.2	L74 N75 D109	L74-N111 WeakPolarHBondContact CB-ND2 3.49Å; L74-N111 WeakPolarHBondContact CB-O 3.11Å; L74-N111 WeakPolarHBondContact CG-O 3.43Å; L74-N111 PolarHBondContact N-O 3.37Å; N75-N111 PolarHBondContact N-ND2 3.44Å; N75-N111 WeakPolarHBondContact ND2-CB 3.44Å; N75-N111 PolarHBondContact ND2-ND2 2.97Å; N75-N111 VanDerWaalsContact ND2-ND2 3.17Å; N75-N111 PolarHBondContact OD1-ND2 3.3Å; N75-N111 VanDerWaalsContact OD1-ND2 3.15Å; D109-N111 VanDerWaalsContact C-N 3.28Å; D109-N111 PolarHBondContact O-N 3.18Å
112	T	85.3	Confident	86	Confident	37 Å²	37	37 Å²	37	23%	0.227	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	124	169.9	-55.5	0	0	0	0	109.1	E71 V72 D109 L114	E71-T112 HydrophobicContact CB-CG2 4.37Å; V72-T112 CarbonylContact O-C 3.57Å; V72-T112 WeakPolarHBondContact O-CA 3.47Å; D109-T112 PolarHBondContact N-O 3.41Å; D109-T112 PolarHBondContact O-N 2.9Å; T112-L114 HydrophobicContact CG2-CD2 3.96Å
113	L	86.2	Confident	86	Confident	3 Å²	3	36.7 Å²	36.7	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	132.4	176.7	-179.6	58.7	0	0	0	109.6	E71 V72 L74 V85 I89 H106 M108 I115	E71-L113 CarbonylContact C-O 3.59Å; E71-L113 WeakPolarHBondContact CA-O 3.33Å; V72-L113 HydrophobicContact CB-CB 4.34Å; V72-L113 PolarHBondContact N-O 3.02Å; V72-L113 PolarHBondContact O-N 3.34Å; L74-L113 HydrophobicContact CD1-CB 4.21Å; L74-L113 HydrophobicContact CD2-CB 4.18Å; L74-L113 HydrophobicContact CD2-CD2 4.09Å; L74-L113 HydrophobicContact CG-CB 4.18Å; V85-L113 HydrophobicContact CG1-CD2 3.52Å; I89-L113 HydrophobicContact CD1-CD1 3.72Å; I89-L113 HydrophobicContact CD1-CD2 3.7Å; I89-L113 HydrophobicContact CD1-CG 3.99Å; H106-L113 HydrophobicContact CB-CD1 4.45Å; M108-L113 VanDerWaalsContact CE-CA 3.48Å; M108-L113 HydrophobicContact CE-CB 3.63Å; M108-L113 HydrophobicContact CE-CD1 3.68Å; M108-L113 HydrophobicContact CE-CG 4.24Å; L113-I115 HydrophobicContact CG-CG1 4.23Å
114	L	88.8	Confident	86.1	Confident	4 Å²	4	36.1 Å²	36.1	2%	0.021	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	102.7	-174	-55.7	169	0	0	0	108.3	W69 E71 H106 F107 D109 T112 I723	W69-L114 HydrophobicContact CE3-CB 4.26Å; W69-L114 HydrophobicContact CE3-CD1 4.18Å; W69-L114 HydrophobicContact CE3-CD2 4.42Å; W69-L114 HydrophobicContact CZ3-CD1 3.84Å; E71-L114 HydrophobicContact CB-CD2 3.74Å; E71-L114 HydrophobicContact CG-CD2 3.46Å; E71-L114 VanDerWaalsContact CG-CD2 3.46Å; H106-L114 CarbonylContact C-O 3.55Å; H106-L114 WeakPolarHBondContact CA-O 3.45Å; F107-L114 HydrophobicContact CB-CB 4.2Å; F107-L114 HydrophobicContact CB-CD1 4.29Å; F107-L114 PolarHBondContact N-O 3.31Å; F107-L114 PolarHBondContact O-N 2.86Å; D109-L114 HydrophobicContact CB-CD1 4.09Å; T112-L114 HydrophobicContact CG2-CD2 3.96Å; L114-I723 HydrophobicContact CD1-CD1 3.68Å; L114-I723 HydrophobicContact CD1-CG2 4.25Å
115	I	87.9	Confident	86.5	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	117.8	-176.1	-56	170.1	0	0	0	109.1	W69 K70 I89 L92 Y103 L113 M117	W69-I115 CarbonylContact C-O 3.56Å; W69-I115 VanDerWaalsContact CA-O 3.29Å; W69-I115 WeakPolarHBondContact CA-O 3.22Å; K70-I115 HydrophobicContact CB-CB 4.3Å; K70-I115 PolarHBondContact N-O 3.25Å; K70-I115 PolarHBondContact O-N 3.39Å; I89-I115 HydrophobicContact CD1-CD1 3.98Å; I89-I115 HydrophobicContact CD1-CG1 3.8Å; I89-I115 HydrophobicContact CG1-CD1 3.75Å; I89-I115 HydrophobicContact CG1-CG1 3.97Å; L92-I115 HydrophobicContact CD1-CG2 4.27Å; Y103-I115 HydrophobicContact CD2-CG2 4.09Å; Y103-I115 HydrophobicContact CE2-CG2 4.09Å; L113-I115 HydrophobicContact CG-CG1 4.23Å; I115-M117 HydrophobicContact CG2-CG 4.05Å; I115-M117 HydrophobicContact CG2-SD 4.07Å
116	E	89.9	Confident	86.9	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	125.7	-178.5	-173.4	-171.1	-151.4	0	0	112	Y41 R60 V67 V68 F104 N105 F107	Y41-E116 WeakPolarHBondContact CE1-OE1 3.37Å; Y41-E116 PolarHBondContact OH-OE1 2.93Å; Y41-E116 PolarHBondContact OH-OE2 3.22Å; R60-E116 IonicContact CZ-OE1 2.8Å; R60-E116 VanDerWaalsContact CZ-OE1 3.25Å; R60-E116 IonicContact CZ-OE2 3.66Å; R60-E116 IonicContact NE-OE1 2.86Å; R60-E116 PolarHBondContact NE-OE1 3.42Å; R60-E116 IonicContact NH2-OE1 3.94Å; R60-E116 PolarHBondContact NH2-OE1 3.36Å; R60-E116 IonicContact NH2-OE2 3.08Å; R60-E116 PolarHBondContact NH2-OE2 2.95Å; V67-E116 HydrophobicContact CB-CG 4.16Å; V67-E116 HydrophobicContact CG2-CG 4.18Å; V68-E116 WeakPolarHBondContact O-CA 3.39Å; F104-E116 HydrophobicContact CB-CB 4.41Å; F104-E116 HydrophobicContact CB-CG 4Å; F104-E116 WeakPolarHBondContact CB-OE2 3.45Å; F104-E116 HydrophobicContact CD2-CG 4.15Å; F104-E116 PolarHBondContact N-O 2.76Å; N105-E116 HydrophobicContact CB-CB 4.31Å; N105-E116 WeakPolarHBondContact CB-OE2 3.38Å; N105-E116 PolarHBondContact N-O 3.45Å; N105-E116 PolarHBondContact O-N 3.11Å; F107-E116 HydrophobicContact CE2-CB 4.28Å
117	M	89.5	Confident	87.1	Confident	20 Å²	20	33.1 Å²	33.1	10%	0.099	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	158.9	-170	-64.6	164.5	62.7	0	0	112.6	V68 K70 I101 A102 I115	V68-M117 PolarHBondContact N-O 3.27Å; V68-M117 PolarHBondContact O-N 3.5Å; K70-M117 HydrophobicContact CB-SD 4.3Å; K70-M117 HydrophobicContact CD-SD 4.49Å; I101-M117 HydrophobicContact CG2-CB 4.06Å; I101-M117 HydrophobicContact CG2-CE 3.65Å; A102-M117 WeakPolarHBondContact O-CA 3.27Å; I115-M117 HydrophobicContact CG2-CG 4.05Å; I115-M117 HydrophobicContact CG2-SD 4.07Å
118	E	89.4	Confident	87.3	Confident	17 Å²	17	35.3 Å²	35.3	8%	0.079	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	135.1	171.7	-176.5	177.7	-168	0	0	112.8	I101 A102 F104 K180 M315	I101-E118 HydrophobicContact CG2-CB 4.26Å; A102-E118 HydrophobicContact CB-CB 4.1Å; A102-E118 WeakPolarHBondContact CB-OE2 3.37Å; A102-E118 PolarHBondContact N-OE2 2.92Å; A102-E118 PolarHBondContact O-N 3.23Å; F104-E118 HydrophobicContact CE2-CB 4.22Å; F104-E118 HydrophobicContact CZ-CB 3.96Å; F104-E118 HydrophobicContact CZ-CG 4.47Å; E118-K180 VanDerWaalsContact OE1-CE 3.23Å; E118-K180 WeakPolarHBondContact OE1-CE 3.31Å; E118-K180 IonicContact OE1-NZ 3.92Å; E118-K180 PolarHBondContact OE1-NZ 3.41Å; E118-K180 WeakPolarHBondContact OE2-CE 3.47Å; E118-K180 IonicContact OE2-NZ 3.36Å; E118-K180 PolarHBondContact OE2-NZ 3Å; E118-M315 HydrophobicContact CG-CE 4.44Å; E118-M315 WeakPolarHBondContact OE1-CE 3.41Å
119	Y	89.6	Confident	87.9	Confident	39 Å²	39	33.4 Å²	33.4	15%	0.153	18%	0.179	C	C	.	.			trans	-93.2	115	176.7	177.4	-123.4	0	0	0	113	L47 L57 L66 V68 N121	L47-Y119 HydrophobicContact CD1-CD2 4.03Å; L47-Y119 HydrophobicContact CD1-CE2 3.83Å; L47-Y119 HydrophobicContact CD2-CE2 4.3Å; L57-Y119 HydrophobicContact CD1-CD1 3.7Å; L57-Y119 HydrophobicContact CD1-CD2 3.66Å; L57-Y119 HydrophobicContact CD1-CE1 4Å; L57-Y119 HydrophobicContact CD1-CE2 4Å; L57-Y119 HydrophobicContact CD1-CG 3.52Å; L57-Y119 HydrophobicContact CD2-CE1 4.3Å; L66-Y119 HydrophobicContact CB-CD1 3.65Å; L66-Y119 HydrophobicContact CB-CG 4.27Å; L66-Y119 HydrophobicContact CD1-CD1 3.77Å; L66-Y119 HydrophobicContact CD1-CE1 3.83Å; L66-Y119 HydrophobicContact CG-CD1 4.38Å; V68-Y119 HydrophobicContact CG2-CD2 3.63Å; V68-Y119 HydrophobicContact CG2-CG 4.23Å; Y119-N121 HydrophobicContact CD1-CB 4.09Å; Y119-N121 HydrophobicContact CE1-CB 3.55Å
120	C	89.1	Confident	88.3	Confident	11 Å²	11	37.3 Å²	37.3	7%	0.074	20%	0.199	C	C	.	.			trans	-87.5	110.3	170.4	-75.7	0	0	0	0	111.5	I101 G122 F172 L173	I101-C120 HydrophobicContact CD1-CB 4.49Å; I101-C120 WeakPolarHBondContact CD1-SG 3.36Å; C120-G122 PolarHBondContact O-N 3.4Å; C120-F172 HydrophobicContact CB-CB 3.58Å; C120-F172 HydrophobicContact CB-CG 4.46Å; C120-L173 CarbonylContact C-O 3.6Å; C120-L173 WeakPolarHBondContact CB-O 3.41Å
121	N	83.3	Confident	88.7	Confident	54 Å²	54	33.7 Å²	33.7	29%	0.289	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	5.3	-171	66.5	-5.5	0	0	0	115.5	Y119 T174 K175	Y119-N121 HydrophobicContact CD1-CB 4.09Å; Y119-N121 HydrophobicContact CE1-CB 3.55Å; N121-T174 WeakPolarHBondContact OD1-CA 3.23Å; N121-K175 HydrophobicContact CB-CG 4.47Å; N121-K175 WeakPolarHBondContact O-CE 3.32Å; N121-K175 WeakPolarHBondContact O-CG 3.4Å; N121-K175 PolarHBondContact OD1-N 2.77Å
122	G	82.9	Confident	89	Confident	29 Å²	29	33.3 Å²	33.3	30%	0.299	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	0.3	-178.9	0	0	0	0	0	115.6	C120 L173	C120-G122 PolarHBondContact O-N 3.4Å; G122-L173 CarbonylContact C-O 3.6Å; G122-L173 WeakPolarHBondContact CA-O 3.37Å; G122-L173 PolarHBondContact N-O 3.3Å
123	G	88.1	Confident	89.1	Confident	29 Å²	29	43 Å²	43	30%	0.299	21%	0.214	S	C	.	.			trans	89.5	-154.6	-177.3	0	0	0	0	0	113	F172 L173	G123-F172 WeakPolarHBondContact O-CA 3.28Å; G123-L173 PolarHBondContact O-N 3.31Å
124	N	91.6	Very high	89.2	Confident	25 Å²	25	45.8 Å²	45.8	13%	0.134	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-114.4	169.1	176.7	68.7	64.9	0	0	0	112.3	N126 D127 K128 I171 F172 L173	N124-N126 VanDerWaalsContact C-N 3.33Å; N124-N126 PolarHBondContact O-N 3.29Å; N124-N126 WeakPolarHBondContact OD1-CA 3.47Å; N124-N126 VanDerWaalsContact OD1-CB 3.24Å; N124-N126 WeakPolarHBondContact OD1-CB 3.37Å; N124-N126 PolarHBondContact OD1-N 3.38Å; N124-D127 VanDerWaalsContact CG-CG 3.43Å; N124-D127 VanDerWaalsContact CG-OD2 3.28Å; N124-D127 PolarHBondContact N-OD2 2.84Å; N124-D127 PolarHBondContact ND2-OD1 3.31Å; N124-D127 PolarHBondContact ND2-OD2 2.95Å; N124-D127 WeakPolarHBondContact O-CB 3.36Å; N124-D127 PolarHBondContact O-N 3.13Å; N124-D127 PolarHBondContact OD1-N 2.88Å; N124-D127 PolarHBondContact OD1-OD1 3.24Å; N124-K128 PolarHBondContact O-N 3.49Å; N124-I171 CarbonylContact C-O 3.53Å; N124-I171 WeakPolarHBondContact CA-O 3.47Å; N124-F172 HydrophobicContact CB-CD1 4.45Å; N124-L173 VanDerWaalsContact C-CD1 3.47Å
125	L	94.7	Very high	89.3	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-67	-30.7	-177.5	-179.5	54.9	0	0	0	113	K128 I129 Y145 I149 T168 I171 L173 M179 V229 V233	L125-K128 HydrophobicContact CD1-CB 4.31Å; L125-K128 WeakPolarHBondContact O-CB 3.33Å; L125-K128 PolarHBondContact O-N 2.9Å; L125-I129 HydrophobicContact CD1-CD1 4.39Å; L125-I129 HydrophobicContact CD1-CG1 4.41Å; L125-I129 HydrophobicContact CG-CD1 4.11Å; L125-I129 WeakPolarHBondContact O-CG1 3.34Å; L125-I129 PolarHBondContact O-N 3.25Å; L125-Y145 HydrophobicContact CD1-CD2 4.48Å; L125-Y145 HydrophobicContact CD1-CE2 4.34Å; L125-I149 HydrophobicContact CD2-CD1 4.36Å; L125-T168 HydrophobicContact CB-CG2 4.49Å; L125-T168 WeakPolarHBondContact CB-O 3.28Å; L125-T168 HydrophobicContact CD2-CG2 4.05Å; L125-T168 HydrophobicContact CG-CG2 4.05Å; L125-T168 PolarHBondContact N-O 3.31Å; L125-T168 VanDerWaalsContact N-O 3.1Å; L125-I171 HydrophobicContact CB-CB 4.14Å; L125-I171 HydrophobicContact CB-CG2 4.15Å; L125-I171 HydrophobicContact CD2-CB 4.33Å; L125-I171 HydrophobicContact CD2-CD1 4.15Å; L125-I171 HydrophobicContact CD2-CG2 4.08Å; L125-I171 PolarHBondContact N-O 2.87Å; L125-L173 HydrophobicContact CB-CD1 3.97Å; L125-L173 VanDerWaalsContact N-CD1 3.35Å; L125-M179 HydrophobicContact CD1-CE 3.57Å; L125-M179 HydrophobicContact CD2-CE 3.79Å; L125-M179 HydrophobicContact CG-CE 4.18Å; L125-V229 HydrophobicContact CD2-CG1 3.76Å; L125-V233 HydrophobicContact CD1-CG2 4.14Å; L125-V233 HydrophobicContact CD2-CG2 4.09Å; L125-V233 HydrophobicContact CG-CG2 4.4Å
126	N	92.4	Very high	89.5	Confident	34 Å²	34	55.5 Å²	55.5	18%	0.182	29%	0.288	C	S	.	.	H	α-helix	trans	-64.2	-42	173.3	175.6	94.4	0	0	0	111.1	N124 K128 I129 I130 T168 L169	N124-N126 VanDerWaalsContact C-N 3.33Å; N124-N126 PolarHBondContact O-N 3.29Å; N124-N126 WeakPolarHBondContact OD1-CA 3.47Å; N124-N126 VanDerWaalsContact OD1-CB 3.24Å; N124-N126 WeakPolarHBondContact OD1-CB 3.37Å; N124-N126 PolarHBondContact OD1-N 3.38Å; N126-K128 VanDerWaalsContact C-N 3.29Å; N126-K128 PolarHBondContact O-N 3.48Å; N126-I129 PolarHBondContact O-N 3.39Å; N126-I130 WeakPolarHBondContact ND2-CD1 3.17Å; N126-I130 WeakPolarHBondContact O-CG1 3.16Å; N126-I130 PolarHBondContact O-N 2.84Å; N126-T168 PolarHBondContact N-O 2.82Å; N126-L169 HydrophobicContact CB-CD2 3.89Å; N126-L169 HydrophobicContact CB-CG 4.31Å
127	D	90.4	Very high	89.7	Confident	58 Å²	58	56 Å²	56	31%	0.31	29%	0.29	S	S	.	.	H	α-helix	trans	-59.2	-42.8	172.7	-49.3	-29	0	0	0	110.9	N124 I129 I130 Q131	N124-D127 VanDerWaalsContact CG-CG 3.43Å; N124-D127 VanDerWaalsContact CG-OD2 3.28Å; N124-D127 PolarHBondContact N-OD2 2.84Å; N124-D127 PolarHBondContact ND2-OD1 3.31Å; N124-D127 PolarHBondContact ND2-OD2 2.95Å; N124-D127 WeakPolarHBondContact O-CB 3.36Å; N124-D127 PolarHBondContact O-N 3.13Å; N124-D127 PolarHBondContact OD1-N 2.88Å; N124-D127 PolarHBondContact OD1-OD1 3.24Å; D127-I129 PolarHBondContact O-N 2.94Å; D127-I130 PolarHBondContact O-N 2.88Å; D127-Q131 WeakPolarHBondContact O-CB 3.19Å; D127-Q131 WeakPolarHBondContact O-CG 3.31Å; D127-Q131 PolarHBondContact O-N 3.09Å; D127-Q131 PolarHBondContact O-NE2 2.9Å
128	K	91.6	Very high	89.9	Confident	47 Å²	47	57.9 Å²	57.9	20%	0.204	31%	0.305	C	S	.	.	H	α-helix	trans	-65.5	-35.5	-180	-167.1	74.5	-176.1	-168.2	0	112.6	N124 L125 N126 F137 L173 N177	N124-K128 PolarHBondContact O-N 3.49Å; L125-K128 HydrophobicContact CD1-CB 4.31Å; L125-K128 WeakPolarHBondContact O-CB 3.33Å; L125-K128 PolarHBondContact O-N 2.9Å; N126-K128 VanDerWaalsContact C-N 3.29Å; N126-K128 PolarHBondContact O-N 3.48Å; K128-F137 HydrophobicContact CG-CE1 4.37Å; K128-F137 HydrophobicContact CG-CZ 4.24Å; K128-L173 HydrophobicContact CD-CD2 4.43Å; K128-L173 HydrophobicContact CG-CD2 4.35Å; K128-N177 PolarHBondContact NZ-OD1 2.88Å
129	I	92.3	Very high	90.1	Very high	13 Å²	13	59.2 Å²	59.2	7%	0.067	31%	0.311	C	S	.	.	H	α-helix	trans	-67.9	-47.5	173.8	-72.9	162.1	0	0	0	110.3	L125 N126 D127 Q131 Q132 F137 T168 E232 V233 L236	L125-I129 HydrophobicContact CD1-CD1 4.39Å; L125-I129 HydrophobicContact CD1-CG1 4.41Å; L125-I129 HydrophobicContact CG-CD1 4.11Å; L125-I129 WeakPolarHBondContact O-CG1 3.34Å; L125-I129 PolarHBondContact O-N 3.25Å; N126-I129 PolarHBondContact O-N 3.39Å; D127-I129 PolarHBondContact O-N 2.94Å; I129-Q131 VanDerWaalsContact C-N 3.29Å; I129-Q131 PolarHBondContact O-N 2.88Å; I129-Q132 WeakPolarHBondContact O-CB 3.37Å; I129-Q132 PolarHBondContact O-N 3.39Å; I129-Q132 VanDerWaalsContact O-N 3.14Å; I129-F137 HydrophobicContact CG1-CE2 4.18Å; I129-T168 HydrophobicContact CD1-CG2 3.8Å; I129-E232 HydrophobicContact CD1-CB 4.14Å; I129-V233 HydrophobicContact CD1-CG2 4.19Å; I129-L236 HydrophobicContact CG2-CB 4.23Å; I129-L236 HydrophobicContact CG2-CD2 3.96Å
130	I	88.3	Confident	90.2	Very high	112 Å²	112	63.3 Å²	63.3	57%	0.574	33%	0.332	S	S	*	.	H	α-helix	trans	-60.8	-38.8	177.9	-67.5	167.6	0	0	0	111.3	N126 D127 Q132 R133	N126-I130 WeakPolarHBondContact ND2-CD1 3.17Å; N126-I130 WeakPolarHBondContact O-CG1 3.16Å; N126-I130 PolarHBondContact O-N 2.84Å; D127-I130 PolarHBondContact O-N 2.88Å; I130-Q132 PolarHBondContact O-N 3.17Å; I130-Q132 VanDerWaalsContact O-N 3.15Å; I130-R133 PolarHBondContact O-N 3.45Å
131	Q	89.2	Confident	90.3	Very high	118 Å²	118	65.5 Å²	65.5	55%	0.551	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.3	177.5	-77.3	165.5	32.8	0	0	114.2	D127 I129 R133	D127-Q131 WeakPolarHBondContact O-CB 3.19Å; D127-Q131 WeakPolarHBondContact O-CG 3.31Å; D127-Q131 PolarHBondContact O-N 3.09Å; D127-Q131 PolarHBondContact O-NE2 2.9Å; I129-Q131 VanDerWaalsContact C-N 3.29Å; I129-Q131 PolarHBondContact O-N 2.88Å; Q131-R133 VanDerWaalsContact C-N 3.27Å; Q131-R133 PolarHBondContact O-N 3.45Å
132	Q	88.4	Confident	90.9	Very high	50 Å²	50	63 Å²	63	23%	0.234	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-18.8	177.8	-69.4	-55.9	-18.9	0	0	114.5	I129 I130 G134 K135 F137 L236	I129-Q132 WeakPolarHBondContact O-CB 3.37Å; I129-Q132 PolarHBondContact O-N 3.39Å; I129-Q132 VanDerWaalsContact O-N 3.14Å; I130-Q132 PolarHBondContact O-N 3.17Å; I130-Q132 VanDerWaalsContact O-N 3.15Å; Q132-G134 PolarHBondContact O-N 3.03Å; Q132-K135 VanDerWaalsContact CB-O 3.29Å; Q132-K135 WeakPolarHBondContact CB-O 3.26Å; Q132-K135 WeakPolarHBondContact O-CB 3.35Å; Q132-K135 PolarHBondContact O-N 2.87Å; Q132-F137 HydrophobicContact CG-CD2 4.19Å; Q132-F137 HydrophobicContact CG-CE1 4.1Å; Q132-F137 HydrophobicContact CG-CE2 3.64Å; Q132-F137 HydrophobicContact CG-CZ 3.59Å; Q132-L236 HydrophobicContact CB-CD1 3.96Å; Q132-L236 HydrophobicContact CB-CD2 4.18Å; Q132-L236 HydrophobicContact CG-CD2 4.18Å
133	R	88.5	Confident	91.4	Very high	239 Å²	239	62.6 Å²	62.6	90%	0.902	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	34.7	178.5	-57.9	179.6	-179.6	-173.5	0.1	114	I130 Q131	I130-R133 PolarHBondContact O-N 3.45Å; Q131-R133 VanDerWaalsContact C-N 3.27Å; Q131-R133 PolarHBondContact O-N 3.45Å
134	G	86.6	Confident	91.7	Very high	62 Å²	62	61.8 Å²	61.8	64%	0.639	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	97	-5.7	179.9	0	0	0	0	0	116	Q132	Q132-G134 PolarHBondContact O-N 3.03Å
135	K	91.8	Very high	91.9	Very high	155 Å²	155	61 Å²	61	67%	0.674	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-81.2	119.4	174.2	-173.4	-173.8	175.5	-175.8	0	111.1	Q132	Q132-K135 VanDerWaalsContact CB-O 3.29Å; Q132-K135 WeakPolarHBondContact CB-O 3.26Å; Q132-K135 WeakPolarHBondContact O-CB 3.35Å; Q132-K135 PolarHBondContact O-N 2.87Å
136	L	92.5	Very high	92	Very high	53 Å²	53	61 Å²	61	28%	0.277	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-61.9	149.4	176.9	-57.1	-171.9	0	0	0	112.2	L236 N262 C265 Y266	L136-L236 HydrophobicContact CD2-CD1 4.19Å; L136-L236 HydrophobicContact CD2-CG 4.08Å; L136-N262 HydrophobicContact CD1-CB 4.42Å; L136-C265 HydrophobicContact CD1-CB 4.38Å; L136-Y266 HydrophobicContact CD1-CE2 4.25Å
137	F	93.7	Very high	92.2	Very high	11 Å²	11	59.8 Å²	59.8	5%	0.048	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-70.1	152	172.6	-69.4	-92.7	0	0	0	110.3	K128 I129 Q132 I141 V142 Y145 V233 L236 Y266	K128-F137 HydrophobicContact CG-CE1 4.37Å; K128-F137 HydrophobicContact CG-CZ 4.24Å; I129-F137 HydrophobicContact CG1-CE2 4.18Å; Q132-F137 HydrophobicContact CG-CD2 4.19Å; Q132-F137 HydrophobicContact CG-CE1 4.1Å; Q132-F137 HydrophobicContact CG-CE2 3.64Å; Q132-F137 HydrophobicContact CG-CZ 3.59Å; F137-I141 HydrophobicContact CD1-CG2 3.81Å; F137-I141 HydrophobicContact CE1-CG2 4.47Å; F137-V142 HydrophobicContact CB-CG2 3.93Å; F137-Y145 HydrophobicContact CD1-CE2 4.1Å; F137-Y145 AromaticContact CE1-CE2 3.78Å; F137-Y145 HydrophobicContact CE1-CE2 3.78Å; F137-Y145 HydrophobicContact CZ-CE2 4.32Å; F137-V233 HydrophobicContact CD2-CG1 4.03Å; F137-V233 WeakPolarHBondContact CD2-O 3.37Å; F137-V233 HydrophobicContact CE2-CG1 4.41Å; F137-V233 HydrophobicContact CG-CG1 4.41Å; F137-L236 HydrophobicContact CD2-CD2 3.91Å; F137-L236 HydrophobicContact CE2-CD2 3.66Å; F137-Y266 WeakPolarHBondContact O-CE1 3.38Å; F137-Y266 PolarHBondContact O-OH 2.95Å
138	S	93.9	Very high	92.5	Very high	60 Å²	60	57 Å²	57	42%	0.42	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-74.5	147.7	170	52	0	0	0	0	110.8	E140 I141 V142	S138-E140 PolarHBondContact O-N 2.82Å; S138-I141 WeakPolarHBondContact O-CB 3.37Å; S138-I141 PolarHBondContact O-N 3.2Å; S138-I141 WeakPolarHBondContact OG-CD1 3.46Å; S138-I141 WeakPolarHBondContact OG-CG1 3.4Å; S138-V142 PolarHBondContact O-N 3.41Å; S138-V142 VanDerWaalsContact O-N 3.11Å
139	E	92.9	Very high	92.8	Very high	44 Å²	44	55.1 Å²	55.1	21%	0.206	27%	0.273	C	S	.	.	H	α-helix	trans	-55	-37.6	-177.5	-172.7	165.5	160.7	0	0	113.2	I141 V142 I143 Y266 T267 L270	E139-I141 VanDerWaalsContact C-N 3.31Å; E139-I141 PolarHBondContact O-N 3.47Å; E139-V142 PolarHBondContact O-N 3.32Å; E139-V142 VanDerWaalsContact O-N 3.11Å; E139-I143 HydrophobicContact CG-CD1 3.93Å; E139-I143 HydrophobicContact CG-CG1 4.34Å; E139-I143 WeakPolarHBondContact O-CG1 3.32Å; E139-I143 PolarHBondContact O-N 2.95Å; E139-Y266 HydrophobicContact CB-CD1 4.25Å; E139-Y266 VanDerWaalsContact OE2-CA 3.29Å; E139-Y266 WeakPolarHBondContact OE2-CA 3.22Å; E139-T267 WeakPolarHBondContact OE1-CB 3.36Å; E139-T267 WeakPolarHBondContact OE1-CG2 3.37Å; E139-T267 PolarHBondContact OE1-OG1 2.86Å; E139-T267 PolarHBondContact OE2-N 3.34Å; E139-L270 HydrophobicContact CG-CD2 3.78Å
140	E	91.1	Very high	93	Very high	126 Å²	126	54.5 Å²	54.5	59%	0.589	27%	0.27	S	S	*	.	H	α-helix	trans	-53.9	-44.4	172.4	-171	-153.4	145	0	0	112.5	S138 I143 W144 R307	S138-E140 PolarHBondContact O-N 2.82Å; E140-I143 PolarHBondContact O-N 2.96Å; E140-W144 WeakPolarHBondContact O-CB 3.43Å; E140-W144 PolarHBondContact O-N 3.14Å; E140-R307 IonicContact OE1-NH1 2.82Å
141	I	92.6	Very high	93.4	Very high	57 Å²	57	49.9 Å²	49.9	29%	0.292	25%	0.247	S	C	.	.	H	α-helix	trans	-71.5	-35.7	179.2	-63.4	173.7	0	0	0	110.4	F137 S138 E139 W144 Y145	F137-I141 HydrophobicContact CD1-CG2 3.81Å; F137-I141 HydrophobicContact CE1-CG2 4.47Å; S138-I141 WeakPolarHBondContact O-CB 3.37Å; S138-I141 PolarHBondContact O-N 3.2Å; S138-I141 WeakPolarHBondContact OG-CD1 3.46Å; S138-I141 WeakPolarHBondContact OG-CG1 3.4Å; E139-I141 VanDerWaalsContact C-N 3.31Å; E139-I141 PolarHBondContact O-N 3.47Å; I141-W144 PolarHBondContact O-N 3Å; I141-Y145 HydrophobicContact CG2-CD1 4.35Å; I141-Y145 HydrophobicContact CG2-CD2 4.07Å; I141-Y145 HydrophobicContact CG2-CE1 3.88Å; I141-Y145 HydrophobicContact CG2-CE2 3.56Å; I141-Y145 HydrophobicContact CG2-CG 4.44Å; I141-Y145 VanDerWaalsContact CG2-CZ 3.45Å; I141-Y145 VanDerWaalsContact O-CG 3.25Å; I141-Y145 PolarHBondContact O-N 3.27Å
142	V	95.1	Very high	93.8	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-65.7	-43	175.1	-172.9	0	0	0	0	110.8	F137 S138 E139 Y145 L146 V233 L234 Y266 L270	F137-V142 HydrophobicContact CB-CG2 3.93Å; S138-V142 PolarHBondContact O-N 3.41Å; S138-V142 VanDerWaalsContact O-N 3.11Å; E139-V142 PolarHBondContact O-N 3.32Å; E139-V142 VanDerWaalsContact O-N 3.11Å; V142-Y145 PolarHBondContact O-N 3.31Å; V142-L146 WeakPolarHBondContact O-CB 3.39Å; V142-L146 PolarHBondContact O-N 3.47Å; V142-V233 HydrophobicContact CG1-CG1 4.18Å; V142-V233 HydrophobicContact CG2-CG1 3.97Å; V142-L234 HydrophobicContact CG1-CD2 3.93Å; V142-L234 HydrophobicContact CG1-CG 4.3Å; V142-L234 HydrophobicContact CG2-CD2 4.31Å; V142-Y266 HydrophobicContact CG2-CE1 3.98Å; V142-L270 HydrophobicContact CB-CD2 4.34Å; V142-L270 HydrophobicContact CG1-CD2 4.06Å
143	I	94.6	Very high	94.1	Very high	20 Å²	20	41.9 Å²	41.9	10%	0.103	21%	0.21	C	C	.	.	H	α-helix	trans	-63.5	-42.3	174.9	-67.6	169.3	0	0	0	110.8	E139 E140 Y145 L146 Y147 F296	E139-I143 HydrophobicContact CG-CD1 3.93Å; E139-I143 HydrophobicContact CG-CG1 4.34Å; E139-I143 WeakPolarHBondContact O-CG1 3.32Å; E139-I143 PolarHBondContact O-N 2.95Å; E140-I143 PolarHBondContact O-N 2.96Å; I143-Y145 VanDerWaalsContact C-N 3.34Å; I143-Y145 PolarHBondContact O-N 3.26Å; I143-L146 PolarHBondContact O-N 3.11Å; I143-Y147 WeakPolarHBondContact O-CB 3.44Å; I143-Y147 PolarHBondContact O-N 3.13Å; I143-F296 HydrophobicContact CD1-CD2 4.06Å; I143-F296 HydrophobicContact CG1-CD2 4.19Å; I143-F296 HydrophobicContact CG1-CE2 4.4Å
144	W	94.5	Very high	94.5	Very high	13 Å²	13	30.9 Å²	30.9	5%	0.049	17%	0.17	C	C	.	.	H	α-helix	trans	-59.7	-40.4	174.3	172.2	-116.6	0	0	0	112.8	E140 I141 Q148 N177 L304 R307 V308 L311	E140-W144 WeakPolarHBondContact O-CB 3.43Å; E140-W144 PolarHBondContact O-N 3.14Å; I141-W144 PolarHBondContact O-N 3Å; W144-Q148 HydrophobicContact CH2-CG 4.5Å; W144-Q148 VanDerWaalsContact NE1-NE2 3.13Å; W144-Q148 WeakPolarHBondContact O-CG 3.42Å; W144-Q148 PolarHBondContact O-N 2.63Å; W144-Q148 PolarHBondContact O-NE2 2.82Å; W144-N177 PolarHBondContact NE1-O 3.05Å; W144-N177 VanDerWaalsContact NE1-O 3.16Å; W144-L304 HydrophobicContact CE3-CD2 3.79Å; W144-L304 HydrophobicContact CZ3-CD2 4.3Å; W144-R307 HydrophobicContact CH2-CB 4.07Å; W144-R307 HydrophobicContact CH2-CG 3.63Å; W144-R307 HydrophobicContact CZ2-CG 4.37Å; W144-R307 HydrophobicContact CZ3-CB 3.99Å; W144-R307 HydrophobicContact CZ3-CG 3.81Å; W144-V308 HydrophobicContact CH2-CB 4.43Å; W144-V308 HydrophobicContact CH2-CG2 3.47Å; W144-V308 VanDerWaalsContact CH2-CG2 3.47Å; W144-V308 HydrophobicContact CZ2-CG2 4.43Å; W144-V308 HydrophobicContact CZ3-CG2 3.76Å; W144-L311 HydrophobicContact CH2-CD1 4.06Å; W144-L311 HydrophobicContact CZ2-CD1 3.72Å
145	Y	95.7	Very high	94.9	Very high	7 Å²	7	31.5 Å²	31.5	3%	0.027	15%	0.154	C	C	.	.	H	α-helix	trans	-73	-46.1	176.3	-66.3	-12.3	0	0	0	112	L125 F137 I141 V142 I143 Y147 Q148 I149 M179 V233	L125-Y145 HydrophobicContact CD1-CD2 4.48Å; L125-Y145 HydrophobicContact CD1-CE2 4.34Å; F137-Y145 HydrophobicContact CD1-CE2 4.1Å; F137-Y145 AromaticContact CE1-CE2 3.78Å; F137-Y145 HydrophobicContact CE1-CE2 3.78Å; F137-Y145 HydrophobicContact CZ-CE2 4.32Å; I141-Y145 HydrophobicContact CG2-CD1 4.35Å; I141-Y145 HydrophobicContact CG2-CD2 4.07Å; I141-Y145 HydrophobicContact CG2-CE1 3.88Å; I141-Y145 HydrophobicContact CG2-CE2 3.56Å; I141-Y145 HydrophobicContact CG2-CG 4.44Å; I141-Y145 VanDerWaalsContact CG2-CZ 3.45Å; I141-Y145 VanDerWaalsContact O-CG 3.25Å; I141-Y145 PolarHBondContact O-N 3.27Å; V142-Y145 PolarHBondContact O-N 3.31Å; I143-Y145 VanDerWaalsContact C-N 3.34Å; I143-Y145 PolarHBondContact O-N 3.26Å; Y145-Y147 PolarHBondContact O-N 2.86Å; Y145-Q148 PolarHBondContact O-N 3.21Å; Y145-I149 VanDerWaalsContact O-CG1 3.3Å; Y145-I149 WeakPolarHBondContact O-CG1 3.36Å; Y145-I149 PolarHBondContact O-N 2.85Å; Y145-M179 HydrophobicContact CD1-CE 3.41Å; Y145-M179 VanDerWaalsContact CD1-CE 3.41Å; Y145-M179 HydrophobicContact CD1-CG 4.41Å; Y145-M179 HydrophobicContact CD1-SD 3.74Å; Y145-M179 HydrophobicContact CD2-CE 3.64Å; Y145-M179 HydrophobicContact CE1-CE 3.83Å; Y145-M179 HydrophobicContact CE2-CE 4.03Å; Y145-M179 HydrophobicContact CG-CE 3.31Å; Y145-M179 HydrophobicContact CG-SD 3.83Å; Y145-V233 HydrophobicContact CD2-CG1 4.12Å
146	L	96.2	Very high	95	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-53.6	-51.8	176.4	170.6	57.9	0	0	0	111.2	V142 I143 Q148 I149 T150 L230 L270 L273 I291 F296 I297	V142-L146 WeakPolarHBondContact O-CB 3.39Å; V142-L146 PolarHBondContact O-N 3.47Å; I143-L146 PolarHBondContact O-N 3.11Å; L146-Q148 PolarHBondContact O-N 3.29Å; L146-I149 PolarHBondContact O-N 3.15Å; L146-T150 WeakPolarHBondContact O-CB 3.24Å; L146-T150 PolarHBondContact O-N 2.94Å; L146-T150 PolarHBondContact O-OG1 3.2Å; L146-L230 HydrophobicContact CB-CD2 3.88Å; L146-L230 HydrophobicContact CD1-CD1 3.6Å; L146-L230 HydrophobicContact CD1-CD2 3.68Å; L146-L230 HydrophobicContact CD1-CG 4.29Å; L146-L230 HydrophobicContact CG-CD2 4.31Å; L146-L270 HydrophobicContact CD2-CD1 3.7Å; L146-L273 HydrophobicContact CD1-CD2 4.49Å; L146-L273 HydrophobicContact CD2-CD2 3.9Å; L146-I291 HydrophobicContact CD1-CG2 4.19Å; L146-F296 HydrophobicContact CD2-CE2 4.12Å; L146-I297 HydrophobicContact CD2-CD1 3.75Å; L146-I297 HydrophobicContact CG-CD1 3.9Å
147	Y	96.7	Very high	95	Very high	8 Å²	8	22.9 Å²	22.9	3%	0.031	11%	0.114	C	C	.	.	H	α-helix	trans	-54.9	-49.5	177.4	171.2	-101.8	0	0	0	112.6	I143 Y145 S151 L292 I297 R301 L304 D305 V308	I143-Y147 WeakPolarHBondContact O-CB 3.44Å; I143-Y147 PolarHBondContact O-N 3.13Å; Y145-Y147 PolarHBondContact O-N 2.86Å; Y147-S151 WeakPolarHBondContact O-CB 3.31Å; Y147-S151 PolarHBondContact O-N 3.43Å; Y147-L292 HydrophobicContact CD2-CD2 3.82Å; Y147-L292 HydrophobicContact CE2-CD2 4.07Å; Y147-I297 HydrophobicContact CD2-CG2 3.95Å; Y147-R301 HydrophobicContact CE2-CG 4.1Å; Y147-L304 HydrophobicContact CD1-CB 3.61Å; Y147-L304 HydrophobicContact CD1-CD1 4.37Å; Y147-L304 HydrophobicContact CD1-CG 4.48Å; Y147-L304 HydrophobicContact CD2-CB 4.31Å; Y147-L304 HydrophobicContact CD2-CD1 4.1Å; Y147-L304 HydrophobicContact CE1-CB 3.67Å; Y147-L304 HydrophobicContact CE2-CB 4.36Å; Y147-L304 HydrophobicContact CG-CB 3.95Å; Y147-L304 HydrophobicContact CG-CD1 3.88Å; Y147-L304 HydrophobicContact CG-CG 4.47Å; Y147-D305 WeakPolarHBondContact OH-CB 3.41Å; Y147-V308 HydrophobicContact CD1-CG2 4.48Å; Y147-V308 HydrophobicContact CE1-CG2 4.02Å
148	Q	96.9	Very high	95	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-66.5	-42	-177	-71.2	173.8	95.6	0	0	112.8	N99 W144 Y145 L146 A152 M179 V308	N99-Q148 HydrophobicContact CB-CB 4.47Å; N99-Q148 WeakPolarHBondContact CB-O 3.24Å; N99-Q148 WeakPolarHBondContact ND2-CG 3.48Å; N99-Q148 PolarHBondContact ND2-OE1 2.79Å; W144-Q148 HydrophobicContact CH2-CG 4.5Å; W144-Q148 VanDerWaalsContact NE1-NE2 3.13Å; W144-Q148 WeakPolarHBondContact O-CG 3.42Å; W144-Q148 PolarHBondContact O-N 2.63Å; W144-Q148 PolarHBondContact O-NE2 2.82Å; Y145-Q148 PolarHBondContact O-N 3.21Å; L146-Q148 PolarHBondContact O-N 3.29Å; Q148-A152 PolarHBondContact O-N 3.22Å; Q148-A152 VanDerWaalsContact O-N 3.11Å; Q148-M179 HydrophobicContact CB-CB 4.06Å; Q148-V308 HydrophobicContact CG-CG2 3.86Å
149	I	96.9	Very high	94.7	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.031	14%	0.143	C	C	.	.	H	α-helix	trans	-67.7	-49.1	178.5	-60.8	163.5	0	0	0	109.3	L125 Y145 L146 S151 A152 V153 I171 M179 M226 V229	L125-I149 HydrophobicContact CD2-CD1 4.36Å; Y145-I149 VanDerWaalsContact O-CG1 3.3Å; Y145-I149 WeakPolarHBondContact O-CG1 3.36Å; Y145-I149 PolarHBondContact O-N 2.85Å; L146-I149 PolarHBondContact O-N 3.15Å; I149-S151 VanDerWaalsContact C-N 3.33Å; I149-S151 PolarHBondContact O-N 2.94Å; I149-A152 PolarHBondContact O-N 3.23Å; I149-V153 HydrophobicContact CG2-CG2 4.43Å; I149-V153 WeakPolarHBondContact O-CG2 3.33Å; I149-V153 PolarHBondContact O-N 3.39Å; I149-I171 HydrophobicContact CD1-CD1 4.04Å; I149-I171 HydrophobicContact CG1-CD1 4.27Å; I149-I171 HydrophobicContact CG2-CD1 4.43Å; I149-M179 HydrophobicContact CD1-CE 4.49Å; I149-M179 HydrophobicContact CD1-SD 3.9Å; I149-M179 HydrophobicContact CG1-SD 3.83Å; I149-M226 HydrophobicContact CG2-CG 3.83Å; I149-M226 HydrophobicContact CG2-SD 3.81Å; I149-V229 HydrophobicContact CD1-CG1 4.06Å
150	T	97.2	Very high	94.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.4	-37.9	178.9	-53.1	0	0	0	0	112.1	L146 A152 V153 A154 M226 A288 I291 L292	L146-T150 WeakPolarHBondContact O-CB 3.24Å; L146-T150 PolarHBondContact O-N 2.94Å; L146-T150 PolarHBondContact O-OG1 3.2Å; T150-A152 PolarHBondContact O-N 3.3Å; T150-V153 PolarHBondContact O-N 3.34Å; T150-A154 WeakPolarHBondContact O-CB 3.46Å; T150-A154 PolarHBondContact O-N 2.92Å; T150-M226 HydrophobicContact CG2-CE 4.31Å; T150-M226 PolarHBondContact OG1-SD 3.43Å; T150-A288 HydrophobicContact CG2-CB 3.97Å; T150-A288 WeakPolarHBondContact CG2-O 3.37Å; T150-I291 HydrophobicContact CG2-CB 3.75Å; T150-I291 HydrophobicContact CG2-CD1 4.45Å; T150-I291 HydrophobicContact CG2-CG2 3.64Å; T150-L292 HydrophobicContact CG2-CD1 4.44Å; T150-L292 HydrophobicContact CG2-CD2 3.95Å; T150-L292 HydrophobicContact CG2-CG 3.73Å
151	S	96.8	Very high	94.4	Very high	15 Å²	15	22.5 Å²	22.5	11%	0.105	12%	0.115	C	C	.	.	H	α-helix	trans	-61.6	-42.9	175.2	-172.9	0	0	0	0	112	H97 Y147 I149 Y155	H97-S151 PolarHBondContact CE1-OG 3.39Å; H97-S151 VanDerWaalsContact CE1-OG 3.25Å; H97-S151 PolarHBondContact NE2-OG 3.09Å; Y147-S151 WeakPolarHBondContact O-CB 3.31Å; Y147-S151 PolarHBondContact O-N 3.43Å; I149-S151 VanDerWaalsContact C-N 3.33Å; I149-S151 PolarHBondContact O-N 2.94Å; S151-Y155 WeakPolarHBondContact O-CB 3.48Å; S151-Y155 PolarHBondContact O-N 3.5Å; S151-Y155 VanDerWaalsContact O-N 3.13Å
152	A	96.3	Very high	94.1	Very high	1 Å²	1	20 Å²	20	1%	0.008	10%	0.102	C	C	.	.	H	α-helix	trans	-63.8	-41.6	172.3	0	0	0	0	0	112.9	N99 I100 Q148 I149 T150 Y155 I156 L181	N99-A152 HydrophobicContact CB-CB 4.08Å; I100-A152 HydrophobicContact CG1-CB 3.97Å; Q148-A152 PolarHBondContact O-N 3.22Å; Q148-A152 VanDerWaalsContact O-N 3.11Å; I149-A152 PolarHBondContact O-N 3.23Å; T150-A152 PolarHBondContact O-N 3.3Å; A152-Y155 PolarHBondContact O-N 3.2Å; A152-I156 PolarHBondContact O-N 3.28Å; A152-L181 HydrophobicContact CB-CB 4.15Å; A152-L181 HydrophobicContact CB-CD2 4.06Å
153	V	96.4	Very high	93.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-66.9	-44.1	178.9	175.5	0	0	0	0	111.7	I149 T150 Y155 I156 H157 I166 L181 I223 M226 A288	I149-V153 HydrophobicContact CG2-CG2 4.43Å; I149-V153 WeakPolarHBondContact O-CG2 3.33Å; I149-V153 PolarHBondContact O-N 3.39Å; T150-V153 PolarHBondContact O-N 3.34Å; V153-Y155 VanDerWaalsContact C-N 3.31Å; V153-Y155 PolarHBondContact O-N 3.25Å; V153-I156 WeakPolarHBondContact O-CG1 3.5Å; V153-I156 PolarHBondContact O-N 2.91Å; V153-H157 WeakPolarHBondContact CG1-CE1 3.42Å; V153-H157 WeakPolarHBondContact O-CB 3.3Å; V153-H157 VanDerWaalsContact O-CG 3.3Å; V153-H157 PolarHBondContact O-N 3.45Å; V153-I166 HydrophobicContact CG2-CD1 3.77Å; V153-L181 HydrophobicContact CG2-CD2 4.34Å; V153-I223 HydrophobicContact CG1-CD1 4.15Å; V153-M226 HydrophobicContact CB-SD 4.49Å; V153-M226 HydrophobicContact CG2-SD 4.13Å; V153-A288 HydrophobicContact CB-CB 4.41Å; V153-A288 HydrophobicContact CG1-CB 4.05Å
154	A	96.1	Very high	93.4	Very high	7 Å²	7	21 Å²	21	6%	0.058	10%	0.104	C	C	.	.	H	α-helix	trans	-58.5	-43	174.9	0	0	0	0	0	111.6	T150 H157 K158 A288 L292	T150-A154 WeakPolarHBondContact O-CB 3.46Å; T150-A154 PolarHBondContact O-N 2.92Å; A154-H157 PolarHBondContact O-N 2.96Å; A154-K158 WeakPolarHBondContact O-CB 3.42Å; A154-K158 PolarHBondContact O-N 3.5Å; A154-A288 HydrophobicContact CB-CB 3.66Å; A154-L292 HydrophobicContact CB-CD1 3.95Å
155	Y	95.6	Very high	93	Very high	76 Å²	76	20.9 Å²	20.9	30%	0.298	10%	0.104	S	C	.	.	H	α-helix	trans	-60.1	-47.3	177.3	-176.7	-86	0	0	0	112.6	L95 E96 H97 I100 S151 A152 V153 A159	L95-Y155 HydrophobicContact CB-CE1 4.25Å; L95-Y155 HydrophobicContact CD2-CD1 4.12Å; L95-Y155 HydrophobicContact CD2-CE1 3.69Å; E96-Y155 PolarHBondContact N-OH 2.88Å; E96-Y155 WeakPolarHBondContact O-CE2 3.18Å; E96-Y155 VanDerWaalsContact O-CZ 3.25Å; E96-Y155 PolarHBondContact O-OH 3.46Å; E96-Y155 VanDerWaalsContact O-OH 3.07Å; H97-Y155 HydrophobicContact CB-CD1 3.93Å; H97-Y155 HydrophobicContact CB-CD2 4.05Å; H97-Y155 HydrophobicContact CB-CE1 4.17Å; H97-Y155 HydrophobicContact CB-CE2 4.27Å; H97-Y155 HydrophobicContact CB-CG 3.88Å; H97-Y155 AromaticContact CD2-CD2 3.86Å; H97-Y155 AromaticContact CG-CG 3.95Å; I100-Y155 HydrophobicContact CD1-CD1 3.69Å; I100-Y155 HydrophobicContact CD1-CE1 4.31Å; I100-Y155 HydrophobicContact CD1-CG 4.46Å; S151-Y155 WeakPolarHBondContact O-CB 3.48Å; S151-Y155 PolarHBondContact O-N 3.5Å; S151-Y155 VanDerWaalsContact O-N 3.13Å; A152-Y155 PolarHBondContact O-N 3.2Å; V153-Y155 VanDerWaalsContact C-N 3.31Å; V153-Y155 PolarHBondContact O-N 3.25Å; Y155-A159 PolarHBondContact O-N 3.35Å; Y155-A159 VanDerWaalsContact O-N 3.11Å
156	I	93.4	Very high	92.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-72	-36.7	-179.4	61.9	171.5	0	0	0	112.6	L95 I100 A152 V153 K158 A159 G160 V161 H163 Y184	L95-I156 HydrophobicContact CD1-CG2 3.91Å; L95-I156 HydrophobicContact CD2-CG2 4Å; I100-I156 HydrophobicContact CD1-CG2 3.57Å; A152-I156 PolarHBondContact O-N 3.28Å; V153-I156 WeakPolarHBondContact O-CG1 3.5Å; V153-I156 PolarHBondContact O-N 2.91Å; I156-K158 VanDerWaalsContact C-N 3.35Å; I156-A159 CarbonylContact O-C 3.49Å; I156-A159 WeakPolarHBondContact O-CB 3.39Å; I156-A159 PolarHBondContact O-N 3.46Å; I156-A159 VanDerWaalsContact O-N 3.12Å; I156-G160 PolarHBondContact O-N 3.12Å; I156-V161 CarbonylContact C-O 3.56Å; I156-V161 HydrophobicContact CB-CB 4.35Å; I156-V161 PolarHBondContact O-N 3.29Å; I156-H163 HydrophobicContact CD1-CB 3.78Å; I156-Y184 HydrophobicContact CG2-CE1 4.08Å
157	H	93.2	Very high	92.7	Very high	26 Å²	26	21.6 Å²	21.6	12%	0.12	11%	0.108	C	C	.	.	H	α-helix	trans	-64.2	-42.2	176	-70.9	-174.8	0	0	0	110.6	V153 A154 A159 G160 V161 F219 D222	V153-H157 WeakPolarHBondContact CG1-CE1 3.42Å; V153-H157 WeakPolarHBondContact O-CB 3.3Å; V153-H157 VanDerWaalsContact O-CG 3.3Å; V153-H157 PolarHBondContact O-N 3.45Å; A154-H157 PolarHBondContact O-N 2.96Å; H157-A159 VanDerWaalsContact C-N 3.26Å; H157-A159 PolarHBondContact O-N 2.87Å; H157-G160 WeakPolarHBondContact O-CA 3.49Å; H157-G160 PolarHBondContact O-N 3.18Å; H157-V161 PolarHBondContact CD2-O 3.41Å; H157-F219 HydrophobicContact CB-CD1 4.01Å; H157-F219 HydrophobicContact CB-CE1 4.42Å; H157-F219 AromaticContact CD2-CD1 3.55Å; H157-F219 PolarHBondContact CE1-O 2.95Å; H157-F219 VanDerWaalsContact CE1-O 3.26Å; H157-F219 AromaticContact CG-CD1 3.69Å; H157-F219 AromaticContact NE2-CD1 3.99Å; H157-D222 IonicContact CD2-OD2 2.88Å; H157-D222 IonicContact CE1-OD2 2.73Å; H157-D222 WeakPolarHBondContact NE2-CB 3.38Å; H157-D222 IonicContact NE2-OD2 2.63Å; H157-D222 PolarHBondContact NE2-OD2 3.23Å
158	K	92.4	Very high	92.5	Very high	180 Å²	180	21.2 Å²	21.2	78%	0.783	11%	0.106	S	C	*	.	H	α-helix	trans	-64.6	-24.8	172.9	-171.2	170.8	-173.7	167.8	0	114	A154 I156 G160	A154-K158 WeakPolarHBondContact O-CB 3.42Å; A154-K158 PolarHBondContact O-N 3.5Å; I156-K158 VanDerWaalsContact C-N 3.35Å; K158-G160 VanDerWaalsContact C-N 3.26Å
159	A	89.3	Confident	92.1	Very high	34 Å²	34	25 Å²	25	28%	0.281	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-0.2	170.5	0	0	0	0	0	113.7	L95 Y155 I156 H157 V161	L95-A159 HydrophobicContact CD2-CB 4.16Å; Y155-A159 PolarHBondContact O-N 3.35Å; Y155-A159 VanDerWaalsContact O-N 3.11Å; I156-A159 CarbonylContact O-C 3.49Å; I156-A159 WeakPolarHBondContact O-CB 3.39Å; I156-A159 PolarHBondContact O-N 3.46Å; I156-A159 VanDerWaalsContact O-N 3.12Å; H157-A159 VanDerWaalsContact C-N 3.26Å; H157-A159 PolarHBondContact O-N 2.87Å; A159-V161 HydrophobicContact CB-CG2 4.32Å
160	G	88.2	Confident	91.9	Very high	20 Å²	20	25.3 Å²	25.3	21%	0.206	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	24.9	-176.6	0	0	0	0	0	113.7	I156 H157 K158 K189 L190	I156-G160 PolarHBondContact O-N 3.12Å; H157-G160 WeakPolarHBondContact O-CA 3.49Å; H157-G160 PolarHBondContact O-N 3.18Å; K158-G160 VanDerWaalsContact C-N 3.26Å; G160-K189 CarbonylContact O-C 3.55Å; G160-K189 WeakPolarHBondContact O-CA 3.45Å; G160-L190 PolarHBondContact O-N 3.48Å
161	V	88.3	Confident	91.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.3	-176	179.9	0	0	0	0	110.7	I91 M94 I156 H157 A159 A187 K188 K189	I91-V161 HydrophobicContact CD1-CG1 4.32Å; I91-V161 HydrophobicContact CG2-CG1 3.95Å; I91-V161 HydrophobicContact CG2-CG2 4.39Å; M94-V161 HydrophobicContact CE-CG2 3.52Å; I156-V161 CarbonylContact C-O 3.56Å; I156-V161 HydrophobicContact CB-CB 4.35Å; I156-V161 PolarHBondContact O-N 3.29Å; H157-V161 PolarHBondContact CD2-O 3.41Å; A159-V161 HydrophobicContact CB-CG2 4.32Å; V161-A187 HydrophobicContact CG1-CB 4.12Å; V161-K188 WeakPolarHBondContact CA-O 3.17Å; V161-K189 HydrophobicContact CG2-CG 4.47Å
162	I	87.4	Confident	91.7	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.015	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	135.2	166.6	-57.1	175.6	0	0	0	108.2	R164 A187 K188 L190 N218 F219 D222	I162-R164 HydrophobicContact CB-CG 4.25Å; I162-R164 HydrophobicContact CG2-CG 3.53Å; I162-A187 CarbonylContact O-C 3.58Å; I162-A187 VanDerWaalsContact O-CA 3.28Å; I162-A187 WeakPolarHBondContact O-CA 3.28Å; I162-K188 PolarHBondContact N-O 2.9Å; I162-K188 PolarHBondContact O-N 3.01Å; I162-L190 HydrophobicContact CD1-CD1 3.53Å; I162-L190 HydrophobicContact CD1-CD2 4.43Å; I162-L190 HydrophobicContact CD1-CG 4.03Å; I162-L190 HydrophobicContact CG1-CD1 4.13Å; I162-L190 HydrophobicContact CG1-CG 4.4Å; I162-N218 VanDerWaalsContact CD1-C 3.49Å; I162-F219 HydrophobicContact CD1-CD1 4.31Å; I162-F219 HydrophobicContact CG1-CD1 3.53Å; I162-F219 HydrophobicContact CG1-CE1 3.7Å; I162-F219 HydrophobicContact CG1-CG 4.25Å; I162-D222 WeakPolarHBondContact CA-OD2 3.35Å; I162-D222 WeakPolarHBondContact CG2-OD2 3.48Å
163	H	89	Confident	91.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.137	C	C	.	.			trans	-82.2	-40.7	-176.4	-163.9	-45.9	0	0	0	113.2	I156 D165 I166 G182 D183 Y184 L186 D222	I156-H163 HydrophobicContact CD1-CB 3.78Å; H163-D165 PolarHBondContact O-N 3.19Å; H163-I166 HydrophobicContact CB-CD1 4.16Å; H163-I166 HydrophobicContact CB-CG1 3.85Å; H163-G182 PolarHBondContact CE1-O 2.92Å; H163-G182 VanDerWaalsContact CE1-O 3.3Å; H163-G182 PolarHBondContact NE2-O 3.05Å; H163-D183 PolarHBondContact CE1-O 2.97Å; H163-D183 VanDerWaalsContact CE1-O 3.31Å; H163-Y184 AromaticContact CD2-CE1 3.88Å; H163-Y184 AromaticContact CD2-CZ 3.93Å; H163-Y184 AromaticContact NE2-CZ 3.92Å; H163-L186 CarbonylContact O-C 3.49Å; H163-D222 PolarHBondContact N-OD1 3.38Å; H163-D222 PolarHBondContact N-OD2 3.18Å
164	R	85.6	Confident	90.9	Very high	42 Å²	42	27.8 Å²	27.8	16%	0.158	14%	0.137	C	C	.	.	S	Bend	trans	61.5	5.4	178.1	-49.1	-170.8	-64.8	168	0.6	116.7	I162 L186 T199 Y217 D222	I162-R164 HydrophobicContact CB-CG 4.25Å; I162-R164 HydrophobicContact CG2-CG 3.53Å; R164-L186 HydrophobicContact CB-CB 4.48Å; R164-L186 PolarHBondContact NE-O 3.46Å; R164-L186 PolarHBondContact NH2-O 2.75Å; R164-T199 PolarHBondContact NH1-OG1 3.05Å; R164-Y217 VanDerWaalsContact CD-CE2 3.48Å; R164-Y217 WeakPolarHBondContact CD-OH 3.45Å; R164-Y217 HydrophobicContact CG-CE2 4.2Å; R164-Y217 PolarHBondContact NH1-OH 3.13Å; R164-D222 PolarHBondContact N-OD1 3.12Å
165	D	86.1	Confident	90	Very high	11 Å²	11	29.7 Å²	29.7	6%	0.059	14%	0.144	C	C	.	.			trans	-150.8	42	178.5	-159.6	32.7	0	0	0	112.8	H163 K167 N170 L186	H163-D165 PolarHBondContact O-N 3.19Å; D165-K167 PolarHBondContact O-N 2.91Å; D165-K167 WeakPolarHBondContact OD1-CE 3.42Å; D165-K167 IonicContact OD1-NZ 2.77Å; D165-K167 PolarHBondContact OD1-NZ 3.06Å; D165-K167 WeakPolarHBondContact OD2-CE 3.41Å; D165-K167 IonicContact OD2-NZ 3.84Å; D165-K167 PolarHBondContact OD2-NZ 3.29Å; D165-N170 PolarHBondContact O-ND2 3.2Å; D165-N170 PolarHBondContact OD2-ND2 3.23Å; D165-L186 HydrophobicContact CB-CB 4.26Å; D165-L186 HydrophobicContact CB-CD1 4.05Å
166	I	92.5	Very high	89.2	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.005	15%	0.145	C	C	.	.			trans	-73.1	114.5	173.4	-60.9	177.3	0	0	0	108.6	V153 H163 I171 D222 A225 V229	V153-I166 HydrophobicContact CG2-CD1 3.77Å; H163-I166 HydrophobicContact CB-CD1 4.16Å; H163-I166 HydrophobicContact CB-CG1 3.85Å; I166-I171 HydrophobicContact CG2-CD1 4.48Å; I166-D222 HydrophobicContact CD1-CB 3.7Å; I166-A225 HydrophobicContact CB-CB 4Å; I166-V229 HydrophobicContact CG2-CG2 4.3Å
167	K	91.6	Very high	88.7	Confident	22 Å²	22	31 Å²	31	10%	0.096	16%	0.158	C	C	.	.			trans	-154.6	162.1	180	61.4	-169.1	178.5	-147.5	0	111.8	D165 L169 N170 I171 T203 Y206	D165-K167 PolarHBondContact O-N 2.91Å; D165-K167 WeakPolarHBondContact OD1-CE 3.42Å; D165-K167 IonicContact OD1-NZ 2.77Å; D165-K167 PolarHBondContact OD1-NZ 3.06Å; D165-K167 WeakPolarHBondContact OD2-CE 3.41Å; D165-K167 IonicContact OD2-NZ 3.84Å; D165-K167 PolarHBondContact OD2-NZ 3.29Å; K167-L169 HydrophobicContact CG-CB 4.29Å; K167-L169 PolarHBondContact O-N 3.27Å; K167-L169 VanDerWaalsContact O-N 3.07Å; K167-N170 VanDerWaalsContact CE-CG 3.49Å; K167-N170 WeakPolarHBondContact CE-ND2 3.36Å; K167-N170 WeakPolarHBondContact CE-OD1 3.3Å; K167-N170 HydrophobicContact CG-CB 4.02Å; K167-N170 PolarHBondContact O-N 3.33Å; K167-I171 PolarHBondContact O-N 2.95Å; K167-T203 PolarHBondContact NZ-OG1 3.43Å; K167-Y206 HydrophobicContact CB-CD1 4.14Å; K167-Y206 HydrophobicContact CB-CD2 3.55Å; K167-Y206 HydrophobicContact CB-CE1 4.04Å; K167-Y206 HydrophobicContact CB-CE2 3.4Å; K167-Y206 VanDerWaalsContact CB-CE2 3.4Å; K167-Y206 HydrophobicContact CB-CG 3.93Å; K167-Y206 HydrophobicContact CD-CD2 4.47Å; K167-Y206 HydrophobicContact CD-CE2 4.44Å
168	T	93	Very high	88.5	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.006	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-15.7	-178.2	47	0	0	0	0	114.4	L125 N126 I129 Y206 V229 E232	L125-T168 HydrophobicContact CB-CG2 4.49Å; L125-T168 WeakPolarHBondContact CB-O 3.28Å; L125-T168 HydrophobicContact CD2-CG2 4.05Å; L125-T168 HydrophobicContact CG-CG2 4.05Å; L125-T168 PolarHBondContact N-O 3.31Å; L125-T168 VanDerWaalsContact N-O 3.1Å; N126-T168 PolarHBondContact N-O 2.82Å; I129-T168 HydrophobicContact CD1-CG2 3.8Å; T168-Y206 PolarHBondContact OG1-OH 3.29Å; T168-Y206 VanDerWaalsContact OG1-OH 3.08Å; T168-V229 HydrophobicContact CG2-CB 4.4Å; T168-V229 HydrophobicContact CG2-CG1 4.01Å; T168-V229 HydrophobicContact CG2-CG2 4.12Å; T168-E232 HydrophobicContact CG2-CB 4.35Å; T168-E232 VanDerWaalsContact CG2-OE2 3.28Å; T168-E232 WeakPolarHBondContact CG2-OE2 3.47Å; T168-E232 PolarHBondContact OG1-OE2 2.8Å
169	L	89.5	Confident	88.6	Confident	81 Å²	81	21.3 Å²	21.3	42%	0.424	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-26.6	171.6	-66.6	168.3	0	0	0	114	N126 K167	N126-L169 HydrophobicContact CB-CD2 3.89Å; N126-L169 HydrophobicContact CB-CG 4.31Å; K167-L169 HydrophobicContact CG-CB 4.29Å; K167-L169 PolarHBondContact O-N 3.27Å; K167-L169 VanDerWaalsContact O-N 3.07Å
170	N	91.9	Very high	88.8	Confident	12 Å²	12	20 Å²	20	6%	0.064	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-2.7	-176.8	-69.5	10.4	0	0	0	112.8	D165 K167 F172 G182	D165-N170 PolarHBondContact O-ND2 3.2Å; D165-N170 PolarHBondContact OD2-ND2 3.23Å; K167-N170 VanDerWaalsContact CE-CG 3.49Å; K167-N170 WeakPolarHBondContact CE-ND2 3.36Å; K167-N170 WeakPolarHBondContact CE-OD1 3.3Å; K167-N170 HydrophobicContact CG-CB 4.02Å; K167-N170 PolarHBondContact O-N 3.33Å; N170-F172 WeakPolarHBondContact O-CD2 3.35Å; N170-F172 WeakPolarHBondContact O-CE2 3.32Å; N170-G182 PolarHBondContact O-N 3.39Å
171	I	95.4	Very high	89.1	Confident	2 Å²	2	19.2 Å²	19.2	1%	0.01	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	103.8	171.7	-63.4	163	0	0	0	107.1	N124 L125 I149 I166 K167 M179 L181 V229	N124-I171 CarbonylContact C-O 3.53Å; N124-I171 WeakPolarHBondContact CA-O 3.47Å; L125-I171 HydrophobicContact CB-CB 4.14Å; L125-I171 HydrophobicContact CB-CG2 4.15Å; L125-I171 HydrophobicContact CD2-CB 4.33Å; L125-I171 HydrophobicContact CD2-CD1 4.15Å; L125-I171 HydrophobicContact CD2-CG2 4.08Å; L125-I171 PolarHBondContact N-O 2.87Å; I149-I171 HydrophobicContact CD1-CD1 4.04Å; I149-I171 HydrophobicContact CG1-CD1 4.27Å; I149-I171 HydrophobicContact CG2-CD1 4.43Å; I166-I171 HydrophobicContact CG2-CD1 4.48Å; K167-I171 PolarHBondContact O-N 2.95Å; I171-M179 HydrophobicContact CG2-CB 4.4Å; I171-M179 HydrophobicContact CG2-CE 4.28Å; I171-M179 HydrophobicContact CG2-CG 4.3Å; I171-M179 HydrophobicContact CG2-SD 4.14Å; I171-L181 HydrophobicContact CG1-CD1 3.86Å; I171-V229 HydrophobicContact CD1-CG1 3.71Å; I171-V229 HydrophobicContact CD1-CG2 4.15Å
172	F	94	Very high	89.2	Confident	62 Å²	62	19.2 Å²	19.2	27%	0.272	10%	0.095	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	154.4	-178.2	-57	-83.2	0	0	0	111.2	I101 C120 G123 N124 N170 M179 K180	I101-F172 HydrophobicContact CD1-CB 4.2Å; I101-F172 HydrophobicContact CD1-CD2 3.95Å; I101-F172 HydrophobicContact CD1-CG 4.3Å; I101-F172 HydrophobicContact CG1-CD2 3.95Å; C120-F172 HydrophobicContact CB-CB 3.58Å; C120-F172 HydrophobicContact CB-CG 4.46Å; G123-F172 WeakPolarHBondContact O-CA 3.28Å; N124-F172 HydrophobicContact CB-CD1 4.45Å; N170-F172 WeakPolarHBondContact O-CD2 3.35Å; N170-F172 WeakPolarHBondContact O-CE2 3.32Å; F172-M179 WeakPolarHBondContact O-CA 3.29Å; F172-K180 PolarHBondContact N-O 3.28Å; F172-K180 PolarHBondContact O-N 3.07Å
173	L	90.3	Very high	88.9	Confident	2 Å²	2	21.3 Å²	21.3	1%	0.01	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	147.2	176.9	-68.1	91.3	0	0	0	111.5	C120 G122 G123 N124 L125 K128 L178 M179	C120-L173 CarbonylContact C-O 3.6Å; C120-L173 WeakPolarHBondContact CB-O 3.41Å; G122-L173 CarbonylContact C-O 3.6Å; G122-L173 WeakPolarHBondContact CA-O 3.37Å; G122-L173 PolarHBondContact N-O 3.3Å; G123-L173 PolarHBondContact O-N 3.31Å; N124-L173 VanDerWaalsContact C-CD1 3.47Å; L125-L173 HydrophobicContact CB-CD1 3.97Å; L125-L173 VanDerWaalsContact N-CD1 3.35Å; K128-L173 HydrophobicContact CD-CD2 4.43Å; K128-L173 HydrophobicContact CG-CD2 4.35Å; L173-L178 WeakPolarHBondContact CA-O 3.41Å; L173-M179 HydrophobicContact CD2-CE 4.33Å; L173-M179 HydrophobicContact CD2-CG 4.49Å; L173-M179 HydrophobicContact CG-CG 4.26Å
174	T	85.9	Confident	88.4	Confident	2 Å²	2	21.3 Å²	21.3	1%	0.012	11%	0.106	C	C	.	.			trans	-79.1	164.9	159.6	67.4	0	0	0	0	110.6	N121 T176 N177 L178 M315	N121-T174 WeakPolarHBondContact OD1-CA 3.23Å; T174-T176 PolarHBondContact O-N 3.31Å; T174-T176 PolarHBondContact OG1-N 3.14Å; T174-T176 PolarHBondContact OG1-OG1 2.99Å; T174-N177 PolarHBondContact O-N 2.81Å; T174-N177 PolarHBondContact OG1-N 3.41Å; T174-L178 HydrophobicContact CG2-CB 3.96Å; T174-L178 HydrophobicContact CG2-CD2 4.16Å; T174-L178 PolarHBondContact N-O 3.4Å; T174-L178 WeakPolarHBondContact OG1-CB 3.47Å; T174-L178 PolarHBondContact OG1-N 3.48Å; T174-M315 HydrophobicContact CG2-CE 3.93Å; T174-M315 HydrophobicContact CG2-SD 3.67Å
175	K	78.4	Confident	87.4	Confident	46 Å²	46	19.8 Å²	19.8	20%	0.2	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.1	168	-72.2	177.5	178	-176.6	0	112.5	N121 N177 E376 G414 A416	N121-K175 HydrophobicContact CB-CG 4.47Å; N121-K175 WeakPolarHBondContact O-CE 3.32Å; N121-K175 WeakPolarHBondContact O-CG 3.4Å; N121-K175 PolarHBondContact OD1-N 2.77Å; K175-N177 VanDerWaalsContact C-N 3.28Å; K175-N177 PolarHBondContact O-N 2.89Å; K175-E376 PolarHBondContact NZ-O 2.76Å; K175-G414 WeakPolarHBondContact CD-O 3.5Å; K175-A416 HydrophobicContact CD-CB 3.79Å
176	T	77.8	Confident	86.5	Confident	51 Å²	51	20.8 Å²	20.8	31%	0.313	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	2.4	173.6	53.8	0	0	0	0	114.6	T174 L178 L311	T174-T176 PolarHBondContact O-N 3.31Å; T174-T176 PolarHBondContact OG1-N 3.14Å; T174-T176 PolarHBondContact OG1-OG1 2.99Å; T176-L178 VanDerWaalsContact C-N 3.32Å; T176-L178 PolarHBondContact O-N 3.21Å; T176-L311 HydrophobicContact CG2-CD2 4.49Å
177	N	82.1	Confident	85.6	Confident	52 Å²	52	20.8 Å²	20.8	28%	0.278	11%	0.109	S	C	.	.			trans	63.7	28.8	-178.6	-43.7	-90.2	0	0	0	114.9	K128 W144 T174 K175	K128-N177 PolarHBondContact NZ-OD1 2.88Å; W144-N177 PolarHBondContact NE1-O 3.05Å; W144-N177 VanDerWaalsContact NE1-O 3.16Å; T174-N177 PolarHBondContact O-N 2.81Å; T174-N177 PolarHBondContact OG1-N 3.41Å; K175-N177 VanDerWaalsContact C-N 3.28Å; K175-N177 PolarHBondContact O-N 2.89Å
178	L	89.8	Confident	84.9	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.			trans	-77	131.8	161.7	176.8	75.8	0	0	0	108.5	L173 T174 T176 V308 L311 N312	L173-L178 WeakPolarHBondContact CA-O 3.41Å; T174-L178 HydrophobicContact CG2-CB 3.96Å; T174-L178 HydrophobicContact CG2-CD2 4.16Å; T174-L178 PolarHBondContact N-O 3.4Å; T174-L178 WeakPolarHBondContact OG1-CB 3.47Å; T174-L178 PolarHBondContact OG1-N 3.48Å; T176-L178 VanDerWaalsContact C-N 3.32Å; T176-L178 PolarHBondContact O-N 3.21Å; L178-V308 HydrophobicContact CD1-CG1 4.3Å; L178-V308 HydrophobicContact CD1-CG2 4.36Å; L178-L311 HydrophobicContact CB-CB 4.42Å; L178-L311 HydrophobicContact CB-CD1 4.38Å; L178-L311 HydrophobicContact CD1-CB 4.22Å; L178-L311 HydrophobicContact CD2-CB 4.46Å; L178-N312 WeakPolarHBondContact CD2-ND2 3.34Å
179	M	94.5	Very high	83.8	Confident	4 Å²	4	28.1 Å²	28.1	2%	0.02	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	141.4	178.8	-73.7	-175.3	156.1	0	0	112.6	N99 L125 Y145 Q148 I149 I171 F172 L173	N99-M179 WeakPolarHBondContact CA-O 3.49Å; N99-M179 WeakPolarHBondContact CB-O 3.36Å; N99-M179 PolarHBondContact ND2-O 3.44Å; L125-M179 HydrophobicContact CD1-CE 3.57Å; L125-M179 HydrophobicContact CD2-CE 3.79Å; L125-M179 HydrophobicContact CG-CE 4.18Å; Y145-M179 HydrophobicContact CD1-CE 3.41Å; Y145-M179 VanDerWaalsContact CD1-CE 3.41Å; Y145-M179 HydrophobicContact CD1-CG 4.41Å; Y145-M179 HydrophobicContact CD1-SD 3.74Å; Y145-M179 HydrophobicContact CD2-CE 3.64Å; Y145-M179 HydrophobicContact CE1-CE 3.83Å; Y145-M179 HydrophobicContact CE2-CE 4.03Å; Y145-M179 HydrophobicContact CG-CE 3.31Å; Y145-M179 HydrophobicContact CG-SD 3.83Å; Q148-M179 HydrophobicContact CB-CB 4.06Å; I149-M179 HydrophobicContact CD1-CE 4.49Å; I149-M179 HydrophobicContact CD1-SD 3.9Å; I149-M179 HydrophobicContact CG1-SD 3.83Å; I171-M179 HydrophobicContact CG2-CB 4.4Å; I171-M179 HydrophobicContact CG2-CE 4.28Å; I171-M179 HydrophobicContact CG2-CG 4.3Å; I171-M179 HydrophobicContact CG2-SD 4.14Å; F172-M179 WeakPolarHBondContact O-CA 3.29Å; L173-M179 HydrophobicContact CD2-CE 4.33Å; L173-M179 HydrophobicContact CD2-CG 4.49Å; L173-M179 HydrophobicContact CG-CG 4.26Å
180	K	94.1	Very high	82.6	Confident	5 Å²	5	24.8 Å²	24.8	2%	0.022	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	114	-179.9	-66.8	-86.7	179.4	157.7	0	110	N98 N99 I100 I101 E118 F172 N312	N98-K180 WeakPolarHBondContact O-CE 3.45Å; N98-K180 PolarHBondContact O-NZ 2.89Å; N99-K180 WeakPolarHBondContact O-CA 3.38Å; I100-K180 WeakPolarHBondContact O-CD 3.32Å; I101-K180 HydrophobicContact CD1-CB 3.57Å; I101-K180 HydrophobicContact CD1-CG 4.39Å; I101-K180 HydrophobicContact CG1-CB 3.96Å; E118-K180 VanDerWaalsContact OE1-CE 3.23Å; E118-K180 WeakPolarHBondContact OE1-CE 3.31Å; E118-K180 IonicContact OE1-NZ 3.92Å; E118-K180 PolarHBondContact OE1-NZ 3.41Å; E118-K180 WeakPolarHBondContact OE2-CE 3.47Å; E118-K180 IonicContact OE2-NZ 3.36Å; E118-K180 PolarHBondContact OE2-NZ 3Å; F172-K180 PolarHBondContact N-O 3.28Å; F172-K180 PolarHBondContact O-N 3.07Å; K180-N312 PolarHBondContact NZ-OD1 3.29Å
181	L	95	Very high	80.8	Confident	5 Å²	5	31.3 Å²	31.3	3%	0.026	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	133.8	176.1	-176.5	60.7	0	0	0	110.7	N99 I101 A152 V153 I171	N99-L181 PolarHBondContact O-N 2.95Å; I101-L181 PolarHBondContact N-O 3.01Å; A152-L181 HydrophobicContact CB-CB 4.15Å; A152-L181 HydrophobicContact CB-CD2 4.06Å; V153-L181 HydrophobicContact CG2-CD2 4.34Å; I171-L181 HydrophobicContact CG1-CD1 3.86Å
182	G	89.9	Confident	78.8	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.178	C	C	.	.			trans	-149.3	-173.7	-174.6	0	0	0	0	0	115.3	H163 N170	H163-G182 PolarHBondContact CE1-O 2.92Å; H163-G182 VanDerWaalsContact CE1-O 3.3Å; H163-G182 PolarHBondContact NE2-O 3.05Å; N170-G182 PolarHBondContact O-N 3.39Å
183	D	81.2	Confident	76.5	Confident	46 Å²	46	38.6 Å²	38.6	25%	0.246	20%	0.2	C	C	.	.			trans	58.3	77.3	-172.4	-156.9	24.3	0	0	0	114.6	K70 H163 G185	K70-D183 IonicContact NZ-OD1 3.91Å; K70-D183 PolarHBondContact NZ-OD1 3.27Å; H163-D183 PolarHBondContact CE1-O 2.97Å; H163-D183 VanDerWaalsContact CE1-O 3.31Å; D183-G185 PolarHBondContact O-N 2.86Å
184	Y	78.9	Confident	74.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-87.1	15.5	-179.6	-71.9	-102.4	0	0	0	112.5	I91 L92 L95 I100 I156 H163 L186 A187	I91-Y184 HydrophobicContact CG2-CD1 3.84Å; I91-Y184 HydrophobicContact CG2-CG 4.45Å; L92-Y184 HydrophobicContact CD2-CD2 3.54Å; L92-Y184 HydrophobicContact CD2-CE2 4.26Å; L92-Y184 HydrophobicContact CD2-CG 3.99Å; L95-Y184 HydrophobicContact CD1-CD1 3.93Å; L95-Y184 HydrophobicContact CD1-CE1 3.44Å; L95-Y184 VanDerWaalsContact CD1-CE1 3.44Å; L95-Y184 HydrophobicContact CD1-CE2 4.48Å; I100-Y184 HydrophobicContact CG2-CE2 4.01Å; I156-Y184 HydrophobicContact CG2-CE1 4.08Å; H163-Y184 AromaticContact CD2-CE1 3.88Å; H163-Y184 AromaticContact CD2-CZ 3.93Å; H163-Y184 AromaticContact NE2-CZ 3.92Å; Y184-L186 PolarHBondContact O-N 3.4Å; Y184-L186 VanDerWaalsContact O-N 3.12Å; Y184-A187 HydrophobicContact CD1-CB 3.69Å; Y184-A187 HydrophobicContact CG-CB 4.25Å; Y184-A187 VanDerWaalsContact O-CB 3.31Å; Y184-A187 WeakPolarHBondContact O-CB 3.43Å; Y184-A187 PolarHBondContact O-N 3.03Å
185	G	63.8	Low	71.8	Confident	10 Å²	10	48 Å²	48	10%	0.103	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-60.2	-20.3	178.3	0	0	0	0	0	114.5	E88 D183	E88-G185 VanDerWaalsContact CD-CA 3.48Å; E88-G185 VanDerWaalsContact CD-N 3.3Å; E88-G185 PolarHBondContact OE1-N 3.46Å; E88-G185 VanDerWaalsContact OE2-CA 3.24Å; E88-G185 WeakPolarHBondContact OE2-CA 3.45Å; D183-G185 PolarHBondContact O-N 2.86Å
186	L	66.1	Low	70.3	Confident	33 Å²	33	50.1 Å²	50.1	17%	0.173	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-107.7	5.6	170.2	-63.6	-178.1	0	0	0	113.7	H163 R164 D165 Y184 V201	H163-L186 CarbonylContact O-C 3.49Å; R164-L186 HydrophobicContact CB-CB 4.48Å; R164-L186 PolarHBondContact NE-O 3.46Å; R164-L186 PolarHBondContact NH2-O 2.75Å; D165-L186 HydrophobicContact CB-CB 4.26Å; D165-L186 HydrophobicContact CB-CD1 4.05Å; Y184-L186 PolarHBondContact O-N 3.4Å; Y184-L186 VanDerWaalsContact O-N 3.12Å; L186-V201 HydrophobicContact CD1-CB 4.13Å; L186-V201 HydrophobicContact CD1-CG1 3.66Å; L186-V201 HydrophobicContact CD2-CB 4.24Å; L186-V201 HydrophobicContact CD2-CG1 3.75Å; L186-V201 HydrophobicContact CG-CG1 4.4Å
187	A	74	Confident	68.8	Low	1 Å²	1	47.9 Å²	47.9	1%	0.008	24%	0.243	C	C	.	.			trans	-69.6	154.4	-179.9	0	0	0	0	0	112.7	N87 I91 V161 I162 Y184	N87-A187 PolarHBondContact ND2-O 3.28Å; I91-A187 HydrophobicContact CD1-CB 3.72Å; I91-A187 HydrophobicContact CG2-CB 4.29Å; V161-A187 HydrophobicContact CG1-CB 4.12Å; I162-A187 CarbonylContact O-C 3.58Å; I162-A187 VanDerWaalsContact O-CA 3.28Å; I162-A187 WeakPolarHBondContact O-CA 3.28Å; Y184-A187 HydrophobicContact CD1-CB 3.69Å; Y184-A187 HydrophobicContact CG-CB 4.25Å; Y184-A187 VanDerWaalsContact O-CB 3.31Å; Y184-A187 WeakPolarHBondContact O-CB 3.43Å; Y184-A187 PolarHBondContact O-N 3.03Å
188	K	76.3	Confident	66.9	Low	75 Å²	75	52.1 Å²	52.1	33%	0.326	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	135.5	173.3	-162.7	-166	170.9	-169.5	0	111.2	V161 I162 A197	V161-K188 WeakPolarHBondContact CA-O 3.17Å; I162-K188 PolarHBondContact N-O 2.9Å; I162-K188 PolarHBondContact O-N 3.01Å; K188-A197 HydrophobicContact CD-CB 4.22Å
189	K	69.9	Low	65	Low	101 Å²	101	54.6 Å²	54.6	44%	0.439	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	143.1	167.3	-163.1	171.6	-169.3	165.2	0	111	M94 G160 V161	M94-K189 HydrophobicContact CE-CD 4.02Å; G160-K189 CarbonylContact O-C 3.55Å; G160-K189 WeakPolarHBondContact O-CA 3.45Å; V161-K189 HydrophobicContact CG2-CG 4.47Å
190	L	65.8	Low	62.7	Low	11 Å²	11	58.2 Å²	58.2	6%	0.058	30%	0.301	C	S	.	.			trans	-107	137.5	173.8	-69.7	-172.3	0	0	0	111	G160 I162 S192 S195 F219	G160-L190 PolarHBondContact O-N 3.48Å; I162-L190 HydrophobicContact CD1-CD1 3.53Å; I162-L190 HydrophobicContact CD1-CD2 4.43Å; I162-L190 HydrophobicContact CD1-CG 4.03Å; I162-L190 HydrophobicContact CG1-CD1 4.13Å; I162-L190 HydrophobicContact CG1-CG 4.4Å; L190-S192 VanDerWaalsContact C-N 3.26Å; L190-S192 PolarHBondContact O-N 3.35Å; L190-S195 VanDerWaalsContact CD1-O 3.26Å; L190-S195 WeakPolarHBondContact CD1-O 3.48Å; L190-F219 HydrophobicContact CD1-CE1 4.39Å; L190-F219 HydrophobicContact CD1-CE2 4.01Å; L190-F219 HydrophobicContact CD1-CZ 3.84Å
191	D	52.8	Low	60.7	Low	150 Å²	150	61 Å²	61	80%	0.802	32%	0.318	S	S	*	.	S	Bend	trans	-77.1	-11.2	179.6	-48.2	-72	0	0	0	113.5
192	S	54.3	Low	58.8	Low	62 Å²	62	62.4 Å²	62.4	43%	0.434	33%	0.333	S	S	.	.	S	Bend	trans	-163	163.8	170.5	65.1	0	0	0	0	110.7	L190 F194 S195	L190-S192 VanDerWaalsContact C-N 3.26Å; L190-S192 PolarHBondContact O-N 3.35Å; S192-F194 PolarHBondContact O-N 3.39Å; S192-F194 VanDerWaalsContact O-N 3.15Å; S192-S195 VanDerWaalsContact O-CB 3.26Å; S192-S195 WeakPolarHBondContact O-CB 3.48Å; S192-S195 PolarHBondContact O-N 3.41Å; S192-S195 PolarHBondContact OG-N 3.13Å
193	E	45.3	Very low	57.6	Low	154 Å²	154	64.5 Å²	64.5	72%	0.72	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.4	176	-63	178.7	151.8	0	0	113.6
194	F	41.2	Very low	57.1	Low	173 Å²	173	64.1 Å²	64.1	76%	0.759	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-2.2	177.4	-55	-77.5	0	0	0	113.3	S192	S192-F194 PolarHBondContact O-N 3.39Å; S192-F194 VanDerWaalsContact O-N 3.15Å
195	S	37.5	Very low	57.3	Low	30 Å²	30	67.6 Å²	67.6	21%	0.21	36%	0.36	C	S	.	.			trans	-73.1	149.2	175.9	-168.9	0	0	0	0	110.5	L190 S192	L190-S195 VanDerWaalsContact CD1-O 3.26Å; L190-S195 WeakPolarHBondContact CD1-O 3.48Å; S192-S195 VanDerWaalsContact O-CB 3.26Å; S192-S195 WeakPolarHBondContact O-CB 3.48Å; S192-S195 PolarHBondContact O-N 3.41Å; S192-S195 PolarHBondContact OG-N 3.13Å
196	M	45.8	Very low	58.4	Low	89 Å²	89	68 Å²	68	44%	0.438	36%	0.359	S	S	.	.			trans	-135.3	159.2	-169.1	-66.6	171.4	-176.1	0	0	110.5	K216	M196-K216 HydrophobicContact CB-CB 4.01Å; M196-K216 HydrophobicContact CB-CD 4.08Å; M196-K216 HydrophobicContact CB-CG 4.5Å; M196-K216 HydrophobicContact CG-CB 4.14Å; M196-K216 HydrophobicContact CG-CD 4.45Å; M196-K216 HydrophobicContact SD-CB 3.55Å; M196-K216 VanDerWaalsContact SD-CB 3.55Å; M196-K216 HydrophobicContact SD-CD 3.55Å; M196-K216 VanDerWaalsContact SD-CD 3.55Å; M196-K216 HydrophobicContact SD-CG 4.17Å
197	A	46.1	Very low	59.4	Low	4 Å²	4	68 Å²	68	3%	0.033	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-123.9	155.3	175.4	0	0	0	0	0	111.8	K188 Y217	K188-A197 HydrophobicContact CD-CB 4.22Å; A197-Y217 HydrophobicContact CB-CD2 4.34Å; A197-Y217 HydrophobicContact CB-CE1 4.33Å; A197-Y217 HydrophobicContact CB-CE2 3.55Å; A197-Y217 WeakPolarHBondContact O-CD1 3.45Å; A197-Y217 WeakPolarHBondContact O-CE1 3.45Å
198	E	42.4	Very low	60.1	Low	141 Å²	141	68 Å²	68	66%	0.659	36%	0.358	S	S	*	.			trans	-129.1	5.8	-161.6	-59.2	-179.2	156.4	0	0	112.8	K216	E198-K216 VanDerWaalsContact OE1-CE 3.24Å; E198-K216 WeakPolarHBondContact OE1-CE 3.4Å; E198-K216 IonicContact OE1-NZ 2.66Å; E198-K216 PolarHBondContact OE1-NZ 2.83Å
199	T	50.5	Low	60.7	Low	52 Å²	52	64.6 Å²	64.6	32%	0.319	34%	0.343	S	S	.	.			trans	-102.1	117.5	179.1	58.1	0	0	0	0	111.2	R164 V201 Y217	R164-T199 PolarHBondContact NH1-OG1 3.05Å; T199-V201 PolarHBondContact O-N 2.93Å; T199-Y217 WeakPolarHBondContact O-CE1 3.38Å; T199-Y217 PolarHBondContact O-OH 3.13Å; T199-Y217 PolarHBondContact OG1-OH 3.01Å
200	C	46.8	Very low	61.5	Low	80 Å²	80	60.5 Å²	60.5	54%	0.541	33%	0.326	S	S	.	.			trans	-75.5	115.5	171	-54.3	0	0	0	0	110.3	L211	C200-L211 HydrophobicContact CB-CD2 4.36Å
201	V	51.2	Low	62.3	Low	65 Å²	65	60.8 Å²	60.8	39%	0.394	33%	0.327	S	S	.	.			trans	-150.8	145.7	174.2	-157.5	0	0	0	0	108.1	L186 T199	L186-V201 HydrophobicContact CD1-CB 4.13Å; L186-V201 HydrophobicContact CD1-CG1 3.66Å; L186-V201 HydrophobicContact CD2-CB 4.24Å; L186-V201 HydrophobicContact CD2-CG1 3.75Å; L186-V201 HydrophobicContact CG-CG1 4.4Å; T199-V201 PolarHBondContact O-N 2.93Å
202	G	55.3	Low	63.6	Low	33 Å²	33	55.2 Å²	55.2	34%	0.34	30%	0.3	S	S	.	.	S	Bend	trans	153	172.9	173.3	0	0	0	0	0	113.3
203	T	64.1	Low	64.7	Low	45 Å²	45	58.2 Å²	58.2	28%	0.276	31%	0.307	S	S	.	.			trans	-81	125.6	167.5	-61.2	0	0	0	0	109.2	K167 Y205 Y206	K167-T203 PolarHBondContact NZ-OG1 3.43Å; T203-Y205 VanDerWaalsContact C-N 3.27Å; T203-Y205 HydrophobicContact CG2-CD2 4.36Å; T203-Y205 PolarHBondContact O-N 3.2Å; T203-Y206 HydrophobicContact CG2-CD2 4.13Å; T203-Y206 HydrophobicContact CG2-CE2 4.13Å; T203-Y206 PolarHBondContact O-N 3.01Å; T203-Y206 VanDerWaalsContact O-N 3.09Å
204	P	71.9	Confident	65.9	Low	37 Å²	37	53.5 Å²	53.5	24%	0.24	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-65.4	-23.7	-157	24.5	-36.4	0	0	0	115.3	Y206 M207 L248 I252	P204-Y206 PolarHBondContact O-N 2.97Å; P204-M207 HydrophobicContact CB-CE 3.85Å; P204-M207 PolarHBondContact O-N 2.82Å; P204-L248 HydrophobicContact CB-CD2 3.95Å; P204-L248 HydrophobicContact CG-CD2 4.22Å; P204-I252 WeakPolarHBondContact O-CD1 3.43Å
205	Y	81.6	Confident	67.2	Low	74 Å²	74	47.2 Å²	47.2	29%	0.29	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-66.6	-17.3	177.3	-61.7	-82.7	0	0	0	114.9	T203 K238 F240 L248	T203-Y205 VanDerWaalsContact C-N 3.27Å; T203-Y205 HydrophobicContact CG2-CD2 4.36Å; T203-Y205 PolarHBondContact O-N 3.2Å; Y205-K238 HydrophobicContact CD1-CB 4.25Å; Y205-K238 HydrophobicContact CD1-CG 4.25Å; Y205-F240 WeakPolarHBondContact CD1-O 3.34Å; Y205-L248 HydrophobicContact CD1-CD1 4.22Å; Y205-L248 HydrophobicContact CD1-CD2 3.61Å; Y205-L248 HydrophobicContact CD2-CD2 4.36Å; Y205-L248 HydrophobicContact CE1-CD1 4.42Å; Y205-L248 HydrophobicContact CE1-CD2 3.66Å; Y205-L248 HydrophobicContact CE2-CD2 4.38Å; Y205-L248 HydrophobicContact CG-CD2 3.98Å
206	Y	87.9	Confident	68.6	Low	18 Å²	18	51.7 Å²	51.7	7%	0.071	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-109.6	-1.4	-178.5	-53.5	-81.8	0	0	0	113.1	K167 T168 T203 P204 C228 V229 E232 K238	K167-Y206 HydrophobicContact CB-CD1 4.14Å; K167-Y206 HydrophobicContact CB-CD2 3.55Å; K167-Y206 HydrophobicContact CB-CE1 4.04Å; K167-Y206 HydrophobicContact CB-CE2 3.4Å; K167-Y206 VanDerWaalsContact CB-CE2 3.4Å; K167-Y206 HydrophobicContact CB-CG 3.93Å; K167-Y206 HydrophobicContact CD-CD2 4.47Å; K167-Y206 HydrophobicContact CD-CE2 4.44Å; T168-Y206 PolarHBondContact OG1-OH 3.29Å; T168-Y206 VanDerWaalsContact OG1-OH 3.08Å; T203-Y206 HydrophobicContact CG2-CD2 4.13Å; T203-Y206 HydrophobicContact CG2-CE2 4.13Å; T203-Y206 PolarHBondContact O-N 3.01Å; T203-Y206 VanDerWaalsContact O-N 3.09Å; P204-Y206 PolarHBondContact O-N 2.97Å; Y206-C228 HydrophobicContact CD1-CB 3.84Å; Y206-C228 HydrophobicContact CE1-CB 4.28Å; Y206-V229 HydrophobicContact CD1-CG2 4.31Å; Y206-V229 HydrophobicContact CE1-CG2 4.06Å; Y206-E232 WeakPolarHBondContact CE1-OE1 3.19Å; Y206-E232 PolarHBondContact OH-OE1 3.41Å; Y206-E232 PolarHBondContact OH-OE2 2.92Å; Y206-K238 PolarHBondContact OH-NZ 3.41Å
207	M	86.9	Confident	69.7	Low	32 Å²	32	47.7 Å²	47.7	16%	0.158	28%	0.276	C	S	.	.			trans	-67.9	141.3	179.3	-63.1	-166.3	-53.4	0	0	110.6	P204 L211 W224 C249	P204-M207 HydrophobicContact CB-CE 3.85Å; P204-M207 PolarHBondContact O-N 2.82Å; M207-L211 HydrophobicContact CB-CD2 4.13Å; M207-L211 HydrophobicContact CG-CD2 3.92Å; M207-L211 HydrophobicContact SD-CD2 3.59Å; M207-L211 VanDerWaalsContact SD-CD2 3.59Å; M207-W224 PolarHBondContact O-NE1 2.84Å; M207-C249 VanDerWaalsContact CE-SG 3.59Å
208	S	89.4	Confident	71.3	Confident	2 Å²	2	50 Å²	50	1%	0.014	29%	0.287	C	S	.	.			trans	-88.9	158	177.4	59.8	0	0	0	0	112.1	E210 L211 C212 W224	S208-E210 VanDerWaalsContact C-N 3.28Å; S208-E210 VanDerWaalsContact CB-CD 3.49Å; S208-E210 WeakPolarHBondContact CB-OE1 3.44Å; S208-E210 WeakPolarHBondContact CB-OE2 3.46Å; S208-E210 PolarHBondContact O-N 3.46Å; S208-E210 PolarHBondContact OG-OE1 3.45Å; S208-E210 PolarHBondContact OG-OE2 2.95Å; S208-L211 PolarHBondContact O-N 3.21Å; S208-C212 PolarHBondContact O-N 3.11Å; S208-W224 VanDerWaalsContact CA-CD1 3.49Å
209	P	88.9	Confident	73.6	Confident	3 Å²	3	45 Å²	45	2%	0.019	26%	0.264	C	S	.	.	H	α-helix	trans	-53.5	-42.3	-177.4	-28.1	35.8	0	0	0	113.4	L211 C212 Q213 W224 I252 V253	P209-L211 VanDerWaalsContact C-N 3.33Å; P209-L211 PolarHBondContact O-N 3.14Å; P209-C212 PolarHBondContact O-N 3.11Å; P209-Q213 WeakPolarHBondContact O-CB 3.43Å; P209-Q213 VanDerWaalsContact O-CG 3.22Å; P209-Q213 WeakPolarHBondContact O-CG 3.39Å; P209-Q213 PolarHBondContact O-N 3.34Å; P209-W224 HydrophobicContact CG-CE3 4.32Å; P209-W224 HydrophobicContact CG-CH2 3.57Å; P209-W224 HydrophobicContact CG-CZ2 3.97Å; P209-W224 HydrophobicContact CG-CZ3 3.75Å; P209-I252 HydrophobicContact CG-CG2 4.08Å; P209-V253 HydrophobicContact CB-CG2 4.44Å
210	E	86.1	Confident	75.6	Confident	15 Å²	15	44.3 Å²	44.3	7%	0.07	26%	0.256	C	S	.	.	H	α-helix	trans	-63.9	-36.1	177.1	66.7	-78.3	-177.9	0	0	112.6	S208 Q213 G214 A215 S221 P282 R285	S208-E210 VanDerWaalsContact C-N 3.28Å; S208-E210 VanDerWaalsContact CB-CD 3.49Å; S208-E210 WeakPolarHBondContact CB-OE1 3.44Å; S208-E210 WeakPolarHBondContact CB-OE2 3.46Å; S208-E210 PolarHBondContact O-N 3.46Å; S208-E210 PolarHBondContact OG-OE1 3.45Å; S208-E210 PolarHBondContact OG-OE2 2.95Å; E210-Q213 PolarHBondContact O-N 2.92Å; E210-G214 PolarHBondContact O-N 3.21Å; E210-A215 HydrophobicContact CB-CB 4.2Å; E210-A215 WeakPolarHBondContact O-CA 3.35Å; E210-A215 WeakPolarHBondContact O-CB 3.46Å; E210-A215 PolarHBondContact O-N 3.26Å; E210-S221 WeakPolarHBondContact OE1-CB 3.13Å; E210-S221 PolarHBondContact OE1-OG 3.17Å; E210-P282 HydrophobicContact CB-CG 4.45Å; E210-P282 HydrophobicContact CG-CG 4.29Å; E210-R285 IonicContact OE1-CZ 3.75Å; E210-R285 IonicContact OE1-NH1 2.75Å; E210-R285 PolarHBondContact OE1-NH1 2.97Å; E210-R285 IonicContact OE1-NH2 3.46Å; E210-R285 IonicContact OE2-CZ 3.74Å; E210-R285 IonicContact OE2-NH1 2.79Å; E210-R285 PolarHBondContact OE2-NH1 3.45Å; E210-R285 IonicContact OE2-NH2 3.78Å; E210-R285 PolarHBondContact OE2-NH2 2.97Å
211	L	81.4	Confident	77.7	Confident	17 Å²	17	41 Å²	41	9%	0.089	23%	0.234	C	C	.	.	H	α-helix	trans	-75.9	-36.9	178.4	-165.7	148	0	0	0	111.4	C200 M207 S208 P209 Q213 G214 Y217	C200-L211 HydrophobicContact CB-CD2 4.36Å; M207-L211 HydrophobicContact CB-CD2 4.13Å; M207-L211 HydrophobicContact CG-CD2 3.92Å; M207-L211 HydrophobicContact SD-CD2 3.59Å; M207-L211 VanDerWaalsContact SD-CD2 3.59Å; S208-L211 PolarHBondContact O-N 3.21Å; P209-L211 VanDerWaalsContact C-N 3.33Å; P209-L211 PolarHBondContact O-N 3.14Å; L211-Q213 PolarHBondContact O-N 2.91Å; L211-G214 PolarHBondContact O-N 3.19Å; L211-Y217 HydrophobicContact CD1-CD1 4Å; L211-Y217 HydrophobicContact CD1-CE1 4.03Å; L211-Y217 HydrophobicContact CD1-CG 4.35Å; L211-Y217 HydrophobicContact CG-CD1 4.34Å
212	C	80.1	Confident	79.7	Confident	33 Å²	33	38 Å²	38	22%	0.223	22%	0.216	C	C	.	.	H	α-helix	trans	-62.4	-28.3	169.5	-71.9	0	0	0	0	113.2	S208 P209 C249 V253	S208-C212 PolarHBondContact O-N 3.11Å; P209-C212 PolarHBondContact O-N 3.11Å; C212-C249 HydrophobicContact CB-CB 4.2Å; C212-V253 HydrophobicContact CB-CG2 3.75Å
213	Q	78.4	Confident	81.6	Confident	125 Å²	125	36.5 Å²	36.5	58%	0.584	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-4.7	176.6	-71	168.7	10.1	0	0	113.7	P209 E210 L211 A215 V253	P209-Q213 WeakPolarHBondContact O-CB 3.43Å; P209-Q213 VanDerWaalsContact O-CG 3.22Å; P209-Q213 WeakPolarHBondContact O-CG 3.39Å; P209-Q213 PolarHBondContact O-N 3.34Å; E210-Q213 PolarHBondContact O-N 2.92Å; L211-Q213 PolarHBondContact O-N 2.91Å; Q213-A215 HydrophobicContact CB-CB 4.45Å; Q213-A215 PolarHBondContact O-N 3.15Å; Q213-V253 HydrophobicContact CG-CG1 4.5Å; Q213-V253 HydrophobicContact CG-CG2 3.92Å
214	G	69.6	Low	83.1	Confident	55 Å²	55	34.3 Å²	34.3	57%	0.567	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.9	19	-171.4	0	0	0	0	0	113.6	E210 L211	E210-G214 PolarHBondContact O-N 3.21Å; L211-G214 PolarHBondContact O-N 3.19Å
215	A	70	Confident	84.2	Confident	42 Å²	42	33 Å²	33	35%	0.347	18%	0.178	S	C	.	.			trans	-80	163.2	176.6	0	0	0	0	0	111.4	E210 Q213 Y217	E210-A215 HydrophobicContact CB-CB 4.2Å; E210-A215 WeakPolarHBondContact O-CA 3.35Å; E210-A215 WeakPolarHBondContact O-CB 3.46Å; E210-A215 PolarHBondContact O-N 3.26Å; Q213-A215 HydrophobicContact CB-CB 4.45Å; Q213-A215 PolarHBondContact O-N 3.15Å; A215-Y217 PolarHBondContact O-N 3.45Å
216	K	67	Low	84.9	Confident	123 Å²	123	29.4 Å²	29.4	54%	0.535	17%	0.165	S	C	.	.			trans	-70.1	126.3	-179.3	-63.2	-162	-174.8	-145.3	0	110.8	M196 E198	M196-K216 HydrophobicContact CB-CB 4.01Å; M196-K216 HydrophobicContact CB-CD 4.08Å; M196-K216 HydrophobicContact CB-CG 4.5Å; M196-K216 HydrophobicContact CG-CB 4.14Å; M196-K216 HydrophobicContact CG-CD 4.45Å; M196-K216 HydrophobicContact SD-CB 3.55Å; M196-K216 VanDerWaalsContact SD-CB 3.55Å; M196-K216 HydrophobicContact SD-CD 3.55Å; M196-K216 VanDerWaalsContact SD-CD 3.55Å; M196-K216 HydrophobicContact SD-CG 4.17Å; E198-K216 VanDerWaalsContact OE1-CE 3.24Å; E198-K216 WeakPolarHBondContact OE1-CE 3.4Å; E198-K216 IonicContact OE1-NZ 2.66Å; E198-K216 PolarHBondContact OE1-NZ 2.83Å
217	Y	67.5	Low	85.2	Confident	5 Å²	5	28.6 Å²	28.6	2%	0.02	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-113.2	161.7	-173.5	61.6	-102.7	0	0	0	113.2	R164 A197 T199 L211 A215 S221	R164-Y217 VanDerWaalsContact CD-CE2 3.48Å; R164-Y217 WeakPolarHBondContact CD-OH 3.45Å; R164-Y217 HydrophobicContact CG-CE2 4.2Å; R164-Y217 PolarHBondContact NH1-OH 3.13Å; A197-Y217 HydrophobicContact CB-CD2 4.34Å; A197-Y217 HydrophobicContact CB-CE1 4.33Å; A197-Y217 HydrophobicContact CB-CE2 3.55Å; A197-Y217 WeakPolarHBondContact O-CD1 3.45Å; A197-Y217 WeakPolarHBondContact O-CE1 3.45Å; T199-Y217 WeakPolarHBondContact O-CE1 3.38Å; T199-Y217 PolarHBondContact O-OH 3.13Å; T199-Y217 PolarHBondContact OG1-OH 3.01Å; L211-Y217 HydrophobicContact CD1-CD1 4Å; L211-Y217 HydrophobicContact CD1-CE1 4.03Å; L211-Y217 HydrophobicContact CD1-CG 4.35Å; L211-Y217 HydrophobicContact CG-CD1 4.34Å; A215-Y217 PolarHBondContact O-N 3.45Å; Y217-S221 WeakPolarHBondContact CB-OG 3.43Å
218	N	81.1	Confident	85.6	Confident	52 Å²	52	27 Å²	27	28%	0.278	15%	0.154	S	C	.	.			trans	-148.1	-166.5	-174.3	69.5	21.2	0	0	0	111.7	I162 K220 S221	I162-N218 VanDerWaalsContact CD1-C 3.49Å; N218-K220 PolarHBondContact O-N 3.35Å; N218-K220 VanDerWaalsContact O-N 3.09Å; N218-K220 VanDerWaalsContact OD1-CB 3.27Å; N218-K220 WeakPolarHBondContact OD1-CB 3.23Å; N218-K220 WeakPolarHBondContact OD1-CG 3.15Å; N218-K220 PolarHBondContact OD1-N 3Å; N218-S221 WeakPolarHBondContact O-CB 3.49Å; N218-S221 PolarHBondContact O-N 3.26Å; N218-S221 PolarHBondContact O-OG 2.93Å
219	F	89.3	Confident	85.9	Confident	37 Å²	37	27 Å²	27	16%	0.162	15%	0.153	C	C	.	.	H	α-helix	trans	-52.1	-29.5	179	-55.9	-71	0	0	0	114.8	H157 I162 L190 S221 D222 I223	H157-F219 HydrophobicContact CB-CD1 4.01Å; H157-F219 HydrophobicContact CB-CE1 4.42Å; H157-F219 AromaticContact CD2-CD1 3.55Å; H157-F219 PolarHBondContact CE1-O 2.95Å; H157-F219 VanDerWaalsContact CE1-O 3.26Å; H157-F219 AromaticContact CG-CD1 3.69Å; H157-F219 AromaticContact NE2-CD1 3.99Å; I162-F219 HydrophobicContact CD1-CD1 4.31Å; I162-F219 HydrophobicContact CG1-CD1 3.53Å; I162-F219 HydrophobicContact CG1-CE1 3.7Å; I162-F219 HydrophobicContact CG1-CG 4.25Å; L190-F219 HydrophobicContact CD1-CE1 4.39Å; L190-F219 HydrophobicContact CD1-CE2 4.01Å; L190-F219 HydrophobicContact CD1-CZ 3.84Å; F219-S221 PolarHBondContact O-N 3.13Å; F219-D222 PolarHBondContact O-N 3.26Å; F219-I223 PolarHBondContact O-N 3.33Å
220	K	92.5	Very high	86.2	Confident	37 Å²	37	27 Å²	27	16%	0.161	15%	0.153	C	C	.	.	H	α-helix	trans	-69.2	-11.9	179.8	-57.9	-74.8	-174.1	170.7	0	112.9	N218 W224 P282 R285 P286 T287	N218-K220 PolarHBondContact O-N 3.35Å; N218-K220 VanDerWaalsContact O-N 3.09Å; N218-K220 VanDerWaalsContact OD1-CB 3.27Å; N218-K220 WeakPolarHBondContact OD1-CB 3.23Å; N218-K220 WeakPolarHBondContact OD1-CG 3.15Å; N218-K220 PolarHBondContact OD1-N 3Å; K220-W224 PolarHBondContact O-N 2.85Å; K220-P282 HydrophobicContact CB-CB 4.1Å; K220-P282 WeakPolarHBondContact CB-O 3.12Å; K220-P282 WeakPolarHBondContact CD-O 3.39Å; K220-P282 VanDerWaalsContact CG-O 3.28Å; K220-P282 WeakPolarHBondContact CG-O 3.37Å; K220-R285 HydrophobicContact CD-CB 4.27Å; K220-R285 PolarHBondContact NZ-O 3.35Å; K220-R285 VanDerWaalsContact O-CD 3.3Å; K220-R285 WeakPolarHBondContact O-CD 3.43Å; K220-R285 PolarHBondContact O-NH1 3.43Å; K220-P286 PolarHBondContact NZ-O 3.14Å; K220-T287 VanDerWaalsContact NZ-CG2 3.3Å
221	S	91.1	Very high	86.6	Confident	11 Å²	11	26.2 Å²	26.2	8%	0.077	15%	0.15	C	C	.	.	H	α-helix	trans	-79.8	-33.8	173.5	-47.6	0	0	0	0	112.1	E210 Y217 N218 F219 I223 W224 A225	E210-S221 WeakPolarHBondContact OE1-CB 3.13Å; E210-S221 PolarHBondContact OE1-OG 3.17Å; Y217-S221 WeakPolarHBondContact CB-OG 3.43Å; N218-S221 WeakPolarHBondContact O-CB 3.49Å; N218-S221 PolarHBondContact O-N 3.26Å; N218-S221 PolarHBondContact O-OG 2.93Å; F219-S221 PolarHBondContact O-N 3.13Å; S221-I223 VanDerWaalsContact C-N 3.32Å; S221-W224 PolarHBondContact O-N 3.3Å; S221-A225 PolarHBondContact O-N 3.23Å; S221-A225 VanDerWaalsContact O-N 3.13Å
222	D	93.2	Very high	87.2	Confident	2 Å²	2	25.7 Å²	25.7	1%	0.011	15%	0.146	C	C	.	.	H	α-helix	trans	-66	-36.3	169.1	-76.9	-19	0	0	0	110.8	H157 I162 H163 R164 I166 F219 W224 A225 M226	H157-D222 IonicContact CD2-OD2 2.88Å; H157-D222 IonicContact CE1-OD2 2.73Å; H157-D222 WeakPolarHBondContact NE2-CB 3.38Å; H157-D222 IonicContact NE2-OD2 2.63Å; H157-D222 PolarHBondContact NE2-OD2 3.23Å; I162-D222 WeakPolarHBondContact CA-OD2 3.35Å; I162-D222 WeakPolarHBondContact CG2-OD2 3.48Å; H163-D222 PolarHBondContact N-OD1 3.38Å; H163-D222 PolarHBondContact N-OD2 3.18Å; R164-D222 PolarHBondContact N-OD1 3.12Å; I166-D222 HydrophobicContact CD1-CB 3.7Å; F219-D222 PolarHBondContact O-N 3.26Å; D222-W224 VanDerWaalsContact C-N 3.35Å; D222-W224 PolarHBondContact O-N 3.13Å; D222-A225 PolarHBondContact O-N 2.84Å; D222-M226 WeakPolarHBondContact O-CB 3.36Å; D222-M226 PolarHBondContact O-N 3.43Å
223	I	96.4	Very high	87.9	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-63.1	-39.6	175.3	-57.7	-62.8	0	0	0	111.6	V153 F219 S221 M226 G227 C277 R285 A288 I291	V153-I223 HydrophobicContact CG1-CD1 4.15Å; F219-I223 PolarHBondContact O-N 3.33Å; S221-I223 VanDerWaalsContact C-N 3.32Å; I223-M226 HydrophobicContact CD1-CE 4.15Å; I223-M226 PolarHBondContact O-N 2.84Å; I223-G227 PolarHBondContact O-N 3.15Å; I223-C277 HydrophobicContact CG2-CB 4.06Å; I223-R285 HydrophobicContact CG2-CB 4.25Å; I223-A288 HydrophobicContact CD1-CB 4.13Å; I223-I291 HydrophobicContact CD1-CD1 4.3Å; I223-I291 HydrophobicContact CG2-CD1 4.26Å
224	W	95	Very high	88.6	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.2	-47.7	172.9	172.7	-81.8	0	0	0	111.8	M207 S208 P209 K220 S221 D222 M226 G227 C228 F240 I252 W257 L278	M207-W224 PolarHBondContact O-NE1 2.84Å; S208-W224 VanDerWaalsContact CA-CD1 3.49Å; P209-W224 HydrophobicContact CG-CE3 4.32Å; P209-W224 HydrophobicContact CG-CH2 3.57Å; P209-W224 HydrophobicContact CG-CZ2 3.97Å; P209-W224 HydrophobicContact CG-CZ3 3.75Å; K220-W224 PolarHBondContact O-N 2.85Å; S221-W224 PolarHBondContact O-N 3.3Å; D222-W224 VanDerWaalsContact C-N 3.35Å; D222-W224 PolarHBondContact O-N 3.13Å; W224-M226 VanDerWaalsContact C-N 3.3Å; W224-M226 PolarHBondContact O-N 3.26Å; W224-G227 CarbonylContact O-C 3.58Å; W224-G227 WeakPolarHBondContact O-CA 3.37Å; W224-G227 PolarHBondContact O-N 3.2Å; W224-C228 PolarHBondContact O-N 3.07Å; W224-F240 HydrophobicContact CH2-CE2 4.11Å; W224-F240 AromaticContact CH2-CZ 3.75Å; W224-F240 HydrophobicContact CH2-CZ 3.75Å; W224-F240 AromaticContact CZ2-CE2 3.39Å; W224-F240 HydrophobicContact CZ2-CE2 3.39Å; W224-F240 AromaticContact CZ2-CZ 3.49Å; W224-F240 HydrophobicContact CZ2-CZ 3.49Å; W224-F240 VanDerWaalsContact CZ2-CZ 3.49Å; W224-I252 HydrophobicContact CZ2-CG2 3.98Å; W224-W257 AromaticContact CH2-CH2 3.98Å; W224-W257 HydrophobicContact CH2-CH2 3.98Å; W224-W257 HydrophobicContact CH2-CZ3 4.26Å; W224-W257 HydrophobicContact CZ3-CH2 4.32Å; W224-L278 HydrophobicContact CD2-CD2 3.94Å; W224-L278 HydrophobicContact CE3-CB 4.5Å; W224-L278 HydrophobicContact CE3-CD2 4.13Å; W224-L278 HydrophobicContact CG-CD2 4.4Å; W224-L278 HydrophobicContact CZ2-CD2 4.42Å; W224-L278 HydrophobicContact CZ3-CB 4.4Å; W224-L278 HydrophobicContact CZ3-CD2 4.46Å; W224-L278 WeakPolarHBondContact CZ3-O 3.41Å
225	A	94.3	Very high	89.7	Confident	8 Å²	8	16.7 Å²	16.7	7%	0.066	9%	0.088	C	C	.	.	H	α-helix	trans	-61.4	-39.1	178.4	0	0	0	0	0	111.9	I166 S221 D222 C228 V229	I166-A225 HydrophobicContact CB-CB 4Å; S221-A225 PolarHBondContact O-N 3.23Å; S221-A225 VanDerWaalsContact O-N 3.13Å; D222-A225 PolarHBondContact O-N 2.84Å; A225-C228 PolarHBondContact O-N 2.93Å; A225-V229 PolarHBondContact O-N 2.89Å
226	M	95.9	Very high	90.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.6	-41.8	170.1	-174.5	175.8	71	0	0	111.9	I149 T150 V153 D222 I223 W224 C228 V229 L230 I291	I149-M226 HydrophobicContact CG2-CG 3.83Å; I149-M226 HydrophobicContact CG2-SD 3.81Å; T150-M226 HydrophobicContact CG2-CE 4.31Å; T150-M226 PolarHBondContact OG1-SD 3.43Å; V153-M226 HydrophobicContact CB-SD 4.49Å; V153-M226 HydrophobicContact CG2-SD 4.13Å; D222-M226 WeakPolarHBondContact O-CB 3.36Å; D222-M226 PolarHBondContact O-N 3.43Å; I223-M226 HydrophobicContact CD1-CE 4.15Å; I223-M226 PolarHBondContact O-N 2.84Å; W224-M226 VanDerWaalsContact C-N 3.3Å; W224-M226 PolarHBondContact O-N 3.26Å; M226-C228 VanDerWaalsContact C-N 3.3Å; M226-C228 PolarHBondContact O-N 3.07Å; M226-V229 WeakPolarHBondContact O-CB 3.41Å; M226-V229 PolarHBondContact O-N 2.81Å; M226-V229 VanDerWaalsContact O-N 3.13Å; M226-L230 HydrophobicContact CG-CD1 4.04Å; M226-L230 HydrophobicContact CG-CG 4.44Å; M226-L230 VanDerWaalsContact O-CG 3.28Å; M226-L230 WeakPolarHBondContact O-CG 3.43Å; M226-L230 PolarHBondContact O-N 2.84Å; M226-I291 HydrophobicContact CE-CD1 3.4Å
227	G	95.5	Very high	91.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-55.5	-42.3	171.9	0	0	0	0	0	112.8	I223 W224 L230 F231	I223-G227 PolarHBondContact O-N 3.15Å; W224-G227 CarbonylContact O-C 3.58Å; W224-G227 WeakPolarHBondContact O-CA 3.37Å; W224-G227 PolarHBondContact O-N 3.2Å; G227-L230 PolarHBondContact O-N 2.68Å; G227-F231 WeakPolarHBondContact O-CB 3.44Å; G227-F231 PolarHBondContact O-N 3.25Å
228	C	94.6	Very high	92.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.9	-41.1	174	-75.8	0	0	0	0	112.9	Y206 W224 A225 M226 L230 F231 E232 T239	Y206-C228 HydrophobicContact CD1-CB 3.84Å; Y206-C228 HydrophobicContact CE1-CB 4.28Å; W224-C228 PolarHBondContact O-N 3.07Å; A225-C228 PolarHBondContact O-N 2.93Å; M226-C228 VanDerWaalsContact C-N 3.3Å; M226-C228 PolarHBondContact O-N 3.07Å; C228-L230 VanDerWaalsContact C-N 3.33Å; C228-L230 PolarHBondContact O-N 2.83Å; C228-F231 PolarHBondContact O-N 2.77Å; C228-E232 PolarHBondContact O-N 3.47Å; C228-T239 WeakPolarHBondContact CA-OG1 3.48Å; C228-T239 PolarHBondContact O-OG1 2.83Å
229	V	95.7	Very high	93.1	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.5	-41.4	174.4	168.2	0	0	0	0	111.5	L125 I149 I166 T168 I171 Y206 A225 M226 E232 V233	L125-V229 HydrophobicContact CD2-CG1 3.76Å; I149-V229 HydrophobicContact CD1-CG1 4.06Å; I166-V229 HydrophobicContact CG2-CG2 4.3Å; T168-V229 HydrophobicContact CG2-CB 4.4Å; T168-V229 HydrophobicContact CG2-CG1 4.01Å; T168-V229 HydrophobicContact CG2-CG2 4.12Å; I171-V229 HydrophobicContact CD1-CG1 3.71Å; I171-V229 HydrophobicContact CD1-CG2 4.15Å; Y206-V229 HydrophobicContact CD1-CG2 4.31Å; Y206-V229 HydrophobicContact CE1-CG2 4.06Å; A225-V229 PolarHBondContact O-N 2.89Å; M226-V229 WeakPolarHBondContact O-CB 3.41Å; M226-V229 PolarHBondContact O-N 2.81Å; M226-V229 VanDerWaalsContact O-N 3.13Å; V229-E232 WeakPolarHBondContact O-CB 3.15Å; V229-E232 PolarHBondContact O-N 2.86Å; V229-V233 WeakPolarHBondContact O-CG2 3.42Å; V229-V233 PolarHBondContact O-N 2.91Å
230	L	95.2	Very high	93.1	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.016	7%	0.073	C	C	.	.	H	α-helix	trans	-68.3	-42.3	179	-67.5	164.2	0	0	0	111.8	L146 M226 G227 C228 E232 V233 L234 V274	L146-L230 HydrophobicContact CB-CD2 3.88Å; L146-L230 HydrophobicContact CD1-CD1 3.6Å; L146-L230 HydrophobicContact CD1-CD2 3.68Å; L146-L230 HydrophobicContact CD1-CG 4.29Å; L146-L230 HydrophobicContact CG-CD2 4.31Å; M226-L230 HydrophobicContact CG-CD1 4.04Å; M226-L230 HydrophobicContact CG-CG 4.44Å; M226-L230 VanDerWaalsContact O-CG 3.28Å; M226-L230 WeakPolarHBondContact O-CG 3.43Å; M226-L230 PolarHBondContact O-N 2.84Å; G227-L230 PolarHBondContact O-N 2.68Å; C228-L230 VanDerWaalsContact C-N 3.33Å; C228-L230 PolarHBondContact O-N 2.83Å; L230-E232 VanDerWaalsContact C-N 3.32Å; L230-E232 PolarHBondContact O-N 2.75Å; L230-V233 PolarHBondContact O-N 3.21Å; L230-L234 WeakPolarHBondContact O-CB 3.44Å; L230-L234 WeakPolarHBondContact O-CG 3.45Å; L230-L234 PolarHBondContact O-N 2.93Å; L230-V274 HydrophobicContact CB-CG2 3.8Å; L230-V274 HydrophobicContact CD1-CG2 4.32Å
231	F	94.3	Very high	92.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59.7	-41.5	172.6	-175.1	-78.9	0	0	0	111.8	G227 C228 V233 L234 T235 T239 M259 V261 V274 L278	G227-F231 WeakPolarHBondContact O-CB 3.44Å; G227-F231 PolarHBondContact O-N 3.25Å; C228-F231 PolarHBondContact O-N 2.77Å; F231-V233 PolarHBondContact O-N 2.89Å; F231-L234 PolarHBondContact O-N 3.31Å; F231-T235 HydrophobicContact CD1-CG2 4.12Å; F231-T235 WeakPolarHBondContact CD1-OG1 3.17Å; F231-T235 HydrophobicContact CD2-CG2 4.46Å; F231-T235 HydrophobicContact CE1-CG2 3.77Å; F231-T235 WeakPolarHBondContact CE1-OG1 3.43Å; F231-T235 HydrophobicContact CE2-CG2 4.15Å; F231-T235 HydrophobicContact CG-CG2 4.45Å; F231-T235 HydrophobicContact CZ-CG2 3.79Å; F231-T235 WeakPolarHBondContact O-CB 3.28Å; F231-T235 WeakPolarHBondContact O-CG2 3.15Å; F231-T235 PolarHBondContact O-N 3.03Å; F231-T235 PolarHBondContact O-OG1 3.34Å; F231-T239 HydrophobicContact CB-CG2 4.25Å; F231-T239 VanDerWaalsContact CD1-CA 3.48Å; F231-T239 HydrophobicContact CD1-CG2 4.11Å; F231-T239 HydrophobicContact CD2-CG2 4.23Å; F231-T239 HydrophobicContact CG-CG2 3.93Å; F231-M259 VanDerWaalsContact CZ-O 3.3Å; F231-M259 WeakPolarHBondContact CZ-O 3.45Å; F231-V261 HydrophobicContact CD2-CG2 4.02Å; F231-V261 HydrophobicContact CE2-CG2 3.97Å; F231-V274 HydrophobicContact CB-CG1 4.18Å; F231-L278 HydrophobicContact CB-CD1 4.43Å
232	E	93.8	Very high	91.8	Very high	5 Å²	5	19 Å²	19	2%	0.023	9%	0.091	C	C	.	.	H	α-helix	trans	-60.6	-40.9	173.6	-90.5	-178.6	-129.2	0	0	113.1	I129 T168 Y206 C228 V229 L230 L236 R237 K238	I129-E232 HydrophobicContact CD1-CB 4.14Å; T168-E232 HydrophobicContact CG2-CB 4.35Å; T168-E232 VanDerWaalsContact CG2-OE2 3.28Å; T168-E232 WeakPolarHBondContact CG2-OE2 3.47Å; T168-E232 PolarHBondContact OG1-OE2 2.8Å; Y206-E232 WeakPolarHBondContact CE1-OE1 3.19Å; Y206-E232 PolarHBondContact OH-OE1 3.41Å; Y206-E232 PolarHBondContact OH-OE2 2.92Å; C228-E232 PolarHBondContact O-N 3.47Å; V229-E232 WeakPolarHBondContact O-CB 3.15Å; V229-E232 PolarHBondContact O-N 2.86Å; L230-E232 VanDerWaalsContact C-N 3.32Å; L230-E232 PolarHBondContact O-N 2.75Å; E232-L236 WeakPolarHBondContact O-CA 3.3Å; E232-L236 PolarHBondContact O-N 3.09Å; E232-R237 WeakPolarHBondContact CA-O 3.49Å; E232-R237 VanDerWaalsContact CG-O 3.3Å; E232-R237 WeakPolarHBondContact CG-O 3.44Å; E232-K238 VanDerWaalsContact CD-CD 3.42Å; E232-K238 HydrophobicContact CG-CD 3.96Å; E232-K238 WeakPolarHBondContact OE1-CD 3.37Å; E232-K238 IonicContact OE1-NZ 2.71Å; E232-K238 PolarHBondContact OE1-NZ 3.41Å; E232-K238 VanDerWaalsContact OE1-NZ 3.11Å; E232-K238 IonicContact OE2-NZ 2.83Å; E232-K238 PolarHBondContact OE2-NZ 3Å
233	V	94.8	Very high	91	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-66.7	-42.2	175.2	170	0	0	0	0	111	L125 I129 F137 V142 Y145 V229 L230 F231	L125-V233 HydrophobicContact CD1-CG2 4.14Å; L125-V233 HydrophobicContact CD2-CG2 4.09Å; L125-V233 HydrophobicContact CG-CG2 4.4Å; I129-V233 HydrophobicContact CD1-CG2 4.19Å; F137-V233 HydrophobicContact CD2-CG1 4.03Å; F137-V233 WeakPolarHBondContact CD2-O 3.37Å; F137-V233 HydrophobicContact CE2-CG1 4.41Å; F137-V233 HydrophobicContact CG-CG1 4.41Å; V142-V233 HydrophobicContact CG1-CG1 4.18Å; V142-V233 HydrophobicContact CG2-CG1 3.97Å; Y145-V233 HydrophobicContact CD2-CG1 4.12Å; V229-V233 WeakPolarHBondContact O-CG2 3.42Å; V229-V233 PolarHBondContact O-N 2.91Å; L230-V233 PolarHBondContact O-N 3.21Å; F231-V233 PolarHBondContact O-N 2.89Å
234	L	93.9	Very high	90	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-67.6	-36	-179	-73.8	166.8	0	0	0	113.4	V142 L230 F231 V261 Y266 L270 V274	V142-L234 HydrophobicContact CG1-CD2 3.93Å; V142-L234 HydrophobicContact CG1-CG 4.3Å; V142-L234 HydrophobicContact CG2-CD2 4.31Å; L230-L234 WeakPolarHBondContact O-CB 3.44Å; L230-L234 WeakPolarHBondContact O-CG 3.45Å; L230-L234 PolarHBondContact O-N 2.93Å; F231-L234 PolarHBondContact O-N 3.31Å; L234-V261 HydrophobicContact CB-CG1 4.15Å; L234-V261 HydrophobicContact CD1-CG1 4.23Å; L234-V261 HydrophobicContact CD1-CG2 4.39Å; L234-V261 HydrophobicContact CD2-CG1 4.48Å; L234-Y266 WeakPolarHBondContact CA-OH 3.4Å; L234-Y266 HydrophobicContact CB-CE2 4.15Å; L234-Y266 HydrophobicContact CD2-CD1 3.67Å; L234-Y266 HydrophobicContact CD2-CD2 3.7Å; L234-Y266 HydrophobicContact CD2-CE1 3.59Å; L234-Y266 HydrophobicContact CD2-CE2 3.6Å; L234-Y266 HydrophobicContact CD2-CG 3.7Å; L234-Y266 VanDerWaalsContact O-CE2 3.32Å; L234-Y266 WeakPolarHBondContact O-CE2 3.48Å; L234-Y266 PolarHBondContact O-OH 3.49Å; L234-L270 HydrophobicContact CD2-CD2 4.1Å; L234-L270 HydrophobicContact CD2-CG 4.48Å; L234-V274 HydrophobicContact CD1-CB 4.37Å; L234-V274 HydrophobicContact CD1-CG1 4.45Å; L234-V274 HydrophobicContact CD1-CG2 3.78Å
235	T	92	Very high	89.1	Confident	23 Å²	23	32.7 Å²	32.7	14%	0.141	17%	0.174	C	C	.	.	H	α-helix	trans	-114.6	-13	-168.9	66.2	0	0	0	0	115	F231 R237 V261	F231-T235 HydrophobicContact CD1-CG2 4.12Å; F231-T235 WeakPolarHBondContact CD1-OG1 3.17Å; F231-T235 HydrophobicContact CD2-CG2 4.46Å; F231-T235 HydrophobicContact CE1-CG2 3.77Å; F231-T235 WeakPolarHBondContact CE1-OG1 3.43Å; F231-T235 HydrophobicContact CE2-CG2 4.15Å; F231-T235 HydrophobicContact CG-CG2 4.45Å; F231-T235 HydrophobicContact CZ-CG2 3.79Å; F231-T235 WeakPolarHBondContact O-CB 3.28Å; F231-T235 WeakPolarHBondContact O-CG2 3.15Å; F231-T235 PolarHBondContact O-N 3.03Å; F231-T235 PolarHBondContact O-OG1 3.34Å; T235-R237 PolarHBondContact O-N 3.29Å; T235-R237 PolarHBondContact OG1-N 3.37Å; T235-R237 PolarHBondContact OG1-O 3.4Å; T235-V261 HydrophobicContact CG2-CG2 4.19Å
236	L	92.3	Very high	88.2	Confident	35 Å²	35	38.1 Å²	38.1	18%	0.183	20%	0.202	C	C	.	.	S	Bend	trans	58.5	20.9	-168	-45.7	176.4	0	0	0	114	I129 Q132 L136 F137 E232	I129-L236 HydrophobicContact CG2-CB 4.23Å; I129-L236 HydrophobicContact CG2-CD2 3.96Å; Q132-L236 HydrophobicContact CB-CD1 3.96Å; Q132-L236 HydrophobicContact CB-CD2 4.18Å; Q132-L236 HydrophobicContact CG-CD2 4.18Å; L136-L236 HydrophobicContact CD2-CD1 4.19Å; L136-L236 HydrophobicContact CD2-CG 4.08Å; F137-L236 HydrophobicContact CD2-CD2 3.91Å; F137-L236 HydrophobicContact CE2-CD2 3.66Å; E232-L236 WeakPolarHBondContact O-CA 3.3Å; E232-L236 PolarHBondContact O-N 3.09Å
237	R	88.9	Confident	87.5	Confident	155 Å²	155	42.1 Å²	42.1	59%	0.585	22%	0.223	S	C	*	.	S	Bend	trans	-135.6	155.2	-176.8	-65.4	-177.1	179.1	-149.9	-3.3	111.6	E232 T235 M259	E232-R237 WeakPolarHBondContact CA-O 3.49Å; E232-R237 VanDerWaalsContact CG-O 3.3Å; E232-R237 WeakPolarHBondContact CG-O 3.44Å; T235-R237 PolarHBondContact O-N 3.29Å; T235-R237 PolarHBondContact OG1-N 3.37Å; T235-R237 PolarHBondContact OG1-O 3.4Å; R237-M259 PolarHBondContact NH1-SD 3.37Å
238	K	88.5	Confident	86.9	Confident	57 Å²	57	42.2 Å²	42.2	25%	0.248	22%	0.223	C	C	.	.			trans	-68.3	135	174.2	-56.7	-56.9	-178.4	-175.9	0	110.6	Y205 Y206 E232 F240 T258	Y205-K238 HydrophobicContact CD1-CB 4.25Å; Y205-K238 HydrophobicContact CD1-CG 4.25Å; Y206-K238 PolarHBondContact OH-NZ 3.41Å; E232-K238 VanDerWaalsContact CD-CD 3.42Å; E232-K238 HydrophobicContact CG-CD 3.96Å; E232-K238 WeakPolarHBondContact OE1-CD 3.37Å; E232-K238 IonicContact OE1-NZ 2.71Å; E232-K238 PolarHBondContact OE1-NZ 3.41Å; E232-K238 VanDerWaalsContact OE1-NZ 3.11Å; E232-K238 IonicContact OE2-NZ 2.83Å; E232-K238 PolarHBondContact OE2-NZ 3Å; K238-F240 WeakPolarHBondContact CB-O 3.48Å; K238-F240 PolarHBondContact O-N 2.9Å; K238-T258 PolarHBondContact O-OG1 3.16Å
239	T	88.9	Confident	86.3	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.006	23%	0.233	C	C	.	.	S	Bend	trans	-53.2	-40.8	178.2	-40.1	0	0	0	0	113	C228 F231 W257 T258 L278	C228-T239 WeakPolarHBondContact CA-OG1 3.48Å; C228-T239 PolarHBondContact O-OG1 2.83Å; F231-T239 HydrophobicContact CB-CG2 4.25Å; F231-T239 VanDerWaalsContact CD1-CA 3.48Å; F231-T239 HydrophobicContact CD1-CG2 4.11Å; F231-T239 HydrophobicContact CD2-CG2 4.23Å; F231-T239 HydrophobicContact CG-CG2 3.93Å; T239-W257 HydrophobicContact CG2-CE3 3.79Å; T239-W257 HydrophobicContact CG2-CZ3 4.01Å; T239-T258 PolarHBondContact O-N 2.88Å; T239-T258 VanDerWaalsContact O-N 3.11Å; T239-T258 PolarHBondContact O-OG1 3.05Å; T239-L278 HydrophobicContact CG2-CD1 3.82Å; T239-L278 HydrophobicContact CG2-CD2 4.47Å
240	F	87.6	Confident	85.8	Confident	1 Å²	1	46.9 Å²	46.9	0%	0.004	25%	0.253	C	S	.	.	S	Bend	trans	-126.6	140.1	174.1	-55.5	-83.5	0	0	0	108.3	Y205 W224 K238 L248 K251 I252 W257	Y205-F240 WeakPolarHBondContact CD1-O 3.34Å; W224-F240 HydrophobicContact CH2-CE2 4.11Å; W224-F240 AromaticContact CH2-CZ 3.75Å; W224-F240 HydrophobicContact CH2-CZ 3.75Å; W224-F240 AromaticContact CZ2-CE2 3.39Å; W224-F240 HydrophobicContact CZ2-CE2 3.39Å; W224-F240 AromaticContact CZ2-CZ 3.49Å; W224-F240 HydrophobicContact CZ2-CZ 3.49Å; W224-F240 VanDerWaalsContact CZ2-CZ 3.49Å; K238-F240 WeakPolarHBondContact CB-O 3.48Å; K238-F240 PolarHBondContact O-N 2.9Å; F240-L248 HydrophobicContact CB-CD1 3.5Å; F240-L248 VanDerWaalsContact CB-CD1 3.5Å; F240-K251 HydrophobicContact CD1-CB 4.38Å; F240-I252 HydrophobicContact CB-CG1 4.14Å; F240-I252 HydrophobicContact CD1-CG1 4.11Å; F240-I252 HydrophobicContact CD2-CG1 3.68Å; F240-I252 HydrophobicContact CE1-CG1 4.42Å; F240-I252 HydrophobicContact CE2-CG1 4.05Å; F240-I252 HydrophobicContact CG-CG1 3.71Å; F240-I252 HydrophobicContact CZ-CG1 4.37Å; F240-W257 HydrophobicContact CE1-CD2 4.46Å; F240-W257 AromaticContact CE1-CE3 3.78Å; F240-W257 HydrophobicContact CE1-CE3 3.78Å; F240-W257 AromaticContact CE1-CZ3 3.86Å; F240-W257 HydrophobicContact CE1-CZ3 3.86Å; F240-W257 HydrophobicContact CE2-CE3 4.24Å; F240-W257 AromaticContact CE2-CZ3 3.85Å; F240-W257 HydrophobicContact CE2-CZ3 3.85Å; F240-W257 AromaticContact CZ-CE3 3.53Å; F240-W257 HydrophobicContact CZ-CE3 3.53Å; F240-W257 AromaticContact CZ-CH2 3.91Å; F240-W257 HydrophobicContact CZ-CH2 3.91Å; F240-W257 AromaticContact CZ-CZ3 3.16Å; F240-W257 HydrophobicContact CZ-CZ3 3.16Å
241	D	80.6	Confident	85.3	Confident	87 Å²	87	50.5 Å²	50.5	47%	0.465	27%	0.268	S	S	.	.			trans	-142	140.4	175.6	-174.1	28.5	0	0	0	110.5	K251 T258	D241-K251 WeakPolarHBondContact O-CD 3.45Å; D241-K251 WeakPolarHBondContact O-CE 3.38Å; D241-K251 PolarHBondContact O-NZ 2.9Å; D241-T258 HydrophobicContact CB-CG2 3.71Å; D241-T258 VanDerWaalsContact N-CG2 3.35Å
242	A	77.4	Confident	85	Confident	18 Å²	18	50.5 Å²	50.5	15%	0.149	27%	0.268	C	S	.	.			trans	-161.1	153.4	-177.4	0	0	0	0	0	111.6	N244 N247 L248 K251	A242-N244 PolarHBondContact O-N 2.96Å; A242-N247 HydrophobicContact CB-CB 3.9Å; A242-L248 HydrophobicContact CB-CB 4Å; A242-L248 HydrophobicContact CB-CD1 4.46Å; A242-K251 HydrophobicContact CB-CD 4.44Å
243	T	76.3	Confident	84.6	Confident	141 Å²	141	52.7 Å²	52.7	87%	0.865	28%	0.282	S	S	*	.	S	Bend	trans	-70.4	-8.7	-179.4	51.1	0	0	0	0	115.1
244	N	75.6	Confident	84.2	Confident	71 Å²	71	58.2 Å²	58.2	38%	0.38	31%	0.308	S	S	.	.	S	Bend	trans	-154.9	141.5	-177.5	-178.6	-60.9	0	0	0	109.9	A242 L246 N247 L248	A242-N244 PolarHBondContact O-N 2.96Å; N244-L246 VanDerWaalsContact C-N 3.26Å; N244-L246 PolarHBondContact O-N 3.31Å; N244-L246 WeakPolarHBondContact OD1-CB 3.49Å; N244-L246 PolarHBondContact OD1-N 3.01Å; N244-N247 WeakPolarHBondContact O-CB 3.42Å; N244-N247 PolarHBondContact O-N 2.68Å; N244-N247 VanDerWaalsContact O-N 3.07Å; N244-L248 PolarHBondContact O-N 2.78Å
245	P	74.2	Confident	83.6	Confident	80 Å²	80	58.7 Å²	58.7	52%	0.519	31%	0.313	S	S	.	.	H	α-helix	trans	-53	-32.1	177	-29.6	36.7	0	0	0	116.1	L248 C249	P245-L248 WeakPolarHBondContact O-CB 3.47Å; P245-L248 PolarHBondContact O-N 3.09Å; P245-C249 PolarHBondContact O-N 2.87Å; P245-C249 PolarHBondContact O-SG 3.07Å
246	L	76	Confident	82.9	Confident	122 Å²	122	61.7 Å²	61.7	64%	0.639	33%	0.328	S	S	*	.	H	α-helix	trans	-68.2	-44.9	175.4	-66.3	173.9	0	0	0	111.3	N244 L248 C249 V250	N244-L246 VanDerWaalsContact C-N 3.26Å; N244-L246 PolarHBondContact O-N 3.31Å; N244-L246 WeakPolarHBondContact OD1-CB 3.49Å; N244-L246 PolarHBondContact OD1-N 3.01Å; L246-L248 PolarHBondContact O-N 3.04Å; L246-C249 PolarHBondContact O-N 3.03Å; L246-V250 WeakPolarHBondContact O-CG2 3.3Å; L246-V250 PolarHBondContact O-N 2.91Å
247	N	81.4	Confident	82.1	Confident	83 Å²	83	64.3 Å²	64.3	44%	0.444	34%	0.336	S	S	.	.	H	α-helix	trans	-63.9	-31.3	173.6	-71.5	-21.8	0	0	0	111.9	A242 N244 K251	A242-N247 HydrophobicContact CB-CB 3.9Å; N244-N247 WeakPolarHBondContact O-CB 3.42Å; N244-N247 PolarHBondContact O-N 2.68Å; N244-N247 VanDerWaalsContact O-N 3.07Å; N247-K251 PolarHBondContact O-N 2.54Å
248	L	83.5	Confident	80.9	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-66.3	-48.3	174.3	-173.8	53.3	0	0	0	111.4	P204 Y205 F240 A242 N244 P245 L246 V250 K251 I252	P204-L248 HydrophobicContact CB-CD2 3.95Å; P204-L248 HydrophobicContact CG-CD2 4.22Å; Y205-L248 HydrophobicContact CD1-CD1 4.22Å; Y205-L248 HydrophobicContact CD1-CD2 3.61Å; Y205-L248 HydrophobicContact CD2-CD2 4.36Å; Y205-L248 HydrophobicContact CE1-CD1 4.42Å; Y205-L248 HydrophobicContact CE1-CD2 3.66Å; Y205-L248 HydrophobicContact CE2-CD2 4.38Å; Y205-L248 HydrophobicContact CG-CD2 3.98Å; F240-L248 HydrophobicContact CB-CD1 3.5Å; F240-L248 VanDerWaalsContact CB-CD1 3.5Å; A242-L248 HydrophobicContact CB-CB 4Å; A242-L248 HydrophobicContact CB-CD1 4.46Å; N244-L248 PolarHBondContact O-N 2.78Å; P245-L248 WeakPolarHBondContact O-CB 3.47Å; P245-L248 PolarHBondContact O-N 3.09Å; L246-L248 PolarHBondContact O-N 3.04Å; L248-V250 VanDerWaalsContact C-N 3.31Å; L248-V250 PolarHBondContact O-N 3.29Å; L248-K251 PolarHBondContact O-N 3.08Å; L248-I252 HydrophobicContact CD1-CD1 4.25Å; L248-I252 HydrophobicContact CG-CD1 4.03Å; L248-I252 WeakPolarHBondContact O-CG1 3.42Å; L248-I252 PolarHBondContact O-N 3.28Å
249	C	82.5	Confident	79.9	Confident	29 Å²	29	61.2 Å²	61.2	20%	0.196	33%	0.334	C	S	.	.	H	α-helix	trans	-57.9	-42	173.5	-65.3	0	0	0	0	112.2	M207 C212 P245 L246 I252 V253	M207-C249 VanDerWaalsContact CE-SG 3.59Å; C212-C249 HydrophobicContact CB-CB 4.2Å; P245-C249 PolarHBondContact O-N 2.87Å; P245-C249 PolarHBondContact O-SG 3.07Å; L246-C249 PolarHBondContact O-N 3.03Å; C249-I252 PolarHBondContact O-N 2.91Å; C249-V253 WeakPolarHBondContact O-CB 3.34Å; C249-V253 WeakPolarHBondContact O-CG2 3.4Å; C249-V253 PolarHBondContact O-N 3.31Å
250	V	83.3	Confident	79.3	Confident	70 Å²	70	67.4 Å²	67.4	42%	0.424	37%	0.366	S	S	.	.	H	α-helix	trans	-62.2	-44.9	175.9	171.1	0	0	0	0	111.4	L246 L248 V253 Q254	L246-V250 WeakPolarHBondContact O-CG2 3.3Å; L246-V250 PolarHBondContact O-N 2.91Å; L248-V250 VanDerWaalsContact C-N 3.31Å; L248-V250 PolarHBondContact O-N 3.29Å; V250-V253 PolarHBondContact O-N 3.35Å; V250-Q254 HydrophobicContact CG1-CG 4.4Å; V250-Q254 WeakPolarHBondContact O-CB 3.49Å; V250-Q254 VanDerWaalsContact O-CG 3.23Å; V250-Q254 WeakPolarHBondContact O-CG 3.32Å; V250-Q254 PolarHBondContact O-N 2.97Å
251	K	85.7	Confident	79	Confident	78 Å²	78	67.6 Å²	67.6	34%	0.339	37%	0.368	S	S	.	.	H	α-helix	trans	-63.6	-41.3	176.2	-77.1	-170.4	179.1	-171.2	0	113	F240 D241 A242 N247 L248 Q254 G255 N256	F240-K251 HydrophobicContact CD1-CB 4.38Å; D241-K251 WeakPolarHBondContact O-CD 3.45Å; D241-K251 WeakPolarHBondContact O-CE 3.38Å; D241-K251 PolarHBondContact O-NZ 2.9Å; A242-K251 HydrophobicContact CB-CD 4.44Å; N247-K251 PolarHBondContact O-N 2.54Å; L248-K251 PolarHBondContact O-N 3.08Å; K251-Q254 PolarHBondContact O-N 3.07Å; K251-G255 PolarHBondContact O-N 3.29Å; K251-N256 HydrophobicContact CG-CB 4.49Å; K251-N256 PolarHBondContact O-N 3.24Å
252	I	87.9	Confident	79.1	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-58.4	-50.4	175.8	-74.1	163.7	0	0	0	110.1	P204 P209 W224 F240 L248 C249 Q254 G255 Q280	P204-I252 WeakPolarHBondContact O-CD1 3.43Å; P209-I252 HydrophobicContact CG-CG2 4.08Å; W224-I252 HydrophobicContact CZ2-CG2 3.98Å; F240-I252 HydrophobicContact CB-CG1 4.14Å; F240-I252 HydrophobicContact CD1-CG1 4.11Å; F240-I252 HydrophobicContact CD2-CG1 3.68Å; F240-I252 HydrophobicContact CE1-CG1 4.42Å; F240-I252 HydrophobicContact CE2-CG1 4.05Å; F240-I252 HydrophobicContact CG-CG1 3.71Å; F240-I252 HydrophobicContact CZ-CG1 4.37Å; L248-I252 HydrophobicContact CD1-CD1 4.25Å; L248-I252 HydrophobicContact CG-CD1 4.03Å; L248-I252 WeakPolarHBondContact O-CG1 3.42Å; L248-I252 PolarHBondContact O-N 3.28Å; C249-I252 PolarHBondContact O-N 2.91Å; I252-Q254 VanDerWaalsContact C-N 3.31Å; I252-Q254 PolarHBondContact O-N 2.98Å; I252-G255 PolarHBondContact O-N 3.36Å; I252-Q280 PolarHBondContact O-NE2 3.48Å; I252-Q280 PolarHBondContact O-OE1 2.93Å
253	V	86.1	Confident	79.4	Confident	52 Å²	52	70.8 Å²	70.8	32%	0.315	39%	0.386	S	S	.	.	H	α-helix	trans	-68	-26.9	179.4	166.8	0	0	0	0	113.3	P209 C212 Q213 C249 V250 Q280	P209-V253 HydrophobicContact CB-CG2 4.44Å; C212-V253 HydrophobicContact CB-CG2 3.75Å; Q213-V253 HydrophobicContact CG-CG1 4.5Å; Q213-V253 HydrophobicContact CG-CG2 3.92Å; C249-V253 WeakPolarHBondContact O-CB 3.34Å; C249-V253 WeakPolarHBondContact O-CG2 3.4Å; C249-V253 PolarHBondContact O-N 3.31Å; V250-V253 PolarHBondContact O-N 3.35Å; V253-Q280 PolarHBondContact O-OE1 2.89Å
254	Q	85.3	Confident	79.8	Confident	116 Å²	116	71.1 Å²	71.1	54%	0.542	38%	0.383	S	S	.	.	H	α-helix	trans	-83.9	-15	174.6	-72	172.9	-9.4	0	0	113.7	V250 K251 I252 N256	V250-Q254 HydrophobicContact CG1-CG 4.4Å; V250-Q254 WeakPolarHBondContact O-CB 3.49Å; V250-Q254 VanDerWaalsContact O-CG 3.23Å; V250-Q254 WeakPolarHBondContact O-CG 3.32Å; V250-Q254 PolarHBondContact O-N 2.97Å; K251-Q254 PolarHBondContact O-N 3.07Å; I252-Q254 VanDerWaalsContact C-N 3.31Å; I252-Q254 PolarHBondContact O-N 2.98Å; Q254-N256 VanDerWaalsContact C-N 3.32Å; Q254-N256 HydrophobicContact CB-CB 4.44Å; Q254-N256 WeakPolarHBondContact CB-ND2 3.25Å; Q254-N256 PolarHBondContact OE1-ND2 3.19Å
255	G	81.3	Confident	80.3	Confident	12 Å²	12	70.8 Å²	70.8	12%	0.124	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	27.3	-172.1	0	0	0	0	0	114	K251 I252 W257	K251-G255 PolarHBondContact O-N 3.29Å; I252-G255 PolarHBondContact O-N 3.36Å; G255-W257 PolarHBondContact O-N 3.47Å; G255-W257 PolarHBondContact O-NE1 2.85Å; G255-W257 VanDerWaalsContact O-NE1 3.14Å
256	N	78.1	Confident	81.2	Confident	85 Å²	85	67.4 Å²	67.4	46%	0.455	36%	0.362	S	S	.	.			trans	-88	84.4	-178.1	-78.5	-32.9	0	0	0	111	K251 Q254	K251-N256 HydrophobicContact CG-CB 4.49Å; K251-N256 PolarHBondContact O-N 3.24Å; Q254-N256 VanDerWaalsContact C-N 3.32Å; Q254-N256 HydrophobicContact CB-CB 4.44Å; Q254-N256 WeakPolarHBondContact CB-ND2 3.25Å; Q254-N256 PolarHBondContact OE1-ND2 3.19Å
257	W	75.6	Confident	82	Confident	91 Å²	91	64.6 Å²	64.6	35%	0.345	35%	0.351	S	S	.	.			trans	-56.5	156.4	175	-36.9	105.2	0	0	0	112.6	W224 T239 F240 G255 L278	W224-W257 AromaticContact CH2-CH2 3.98Å; W224-W257 HydrophobicContact CH2-CH2 3.98Å; W224-W257 HydrophobicContact CH2-CZ3 4.26Å; W224-W257 HydrophobicContact CZ3-CH2 4.32Å; T239-W257 HydrophobicContact CG2-CE3 3.79Å; T239-W257 HydrophobicContact CG2-CZ3 4.01Å; F240-W257 HydrophobicContact CE1-CD2 4.46Å; F240-W257 AromaticContact CE1-CE3 3.78Å; F240-W257 HydrophobicContact CE1-CE3 3.78Å; F240-W257 AromaticContact CE1-CZ3 3.86Å; F240-W257 HydrophobicContact CE1-CZ3 3.86Å; F240-W257 HydrophobicContact CE2-CE3 4.24Å; F240-W257 AromaticContact CE2-CZ3 3.85Å; F240-W257 HydrophobicContact CE2-CZ3 3.85Å; F240-W257 AromaticContact CZ-CE3 3.53Å; F240-W257 HydrophobicContact CZ-CE3 3.53Å; F240-W257 AromaticContact CZ-CH2 3.91Å; F240-W257 HydrophobicContact CZ-CH2 3.91Å; F240-W257 AromaticContact CZ-CZ3 3.16Å; F240-W257 HydrophobicContact CZ-CZ3 3.16Å; G255-W257 PolarHBondContact O-N 3.47Å; G255-W257 PolarHBondContact O-NE1 2.85Å; G255-W257 VanDerWaalsContact O-NE1 3.14Å; W257-L278 HydrophobicContact CE3-CD1 4.45Å; W257-L278 HydrophobicContact CH2-CB 3.67Å; W257-L278 VanDerWaalsContact CH2-O 3.26Å; W257-L278 WeakPolarHBondContact CH2-O 3.46Å; W257-L278 HydrophobicContact CZ3-CB 3.8Å; W257-L278 HydrophobicContact CZ3-CD1 3.9Å; W257-L278 HydrophobicContact CZ3-CD2 4.32Å; W257-L278 HydrophobicContact CZ3-CG 4.23Å
258	T	62.6	Low	82.4	Confident	50 Å²	50	65.4 Å²	65.4	31%	0.307	36%	0.362	S	S	.	.	S	Bend	trans	-77.2	-39.6	176.2	50.1	0	0	0	0	113.7	K238 T239 D241	K238-T258 PolarHBondContact O-OG1 3.16Å; T239-T258 PolarHBondContact O-N 2.88Å; T239-T258 VanDerWaalsContact O-N 3.11Å; T239-T258 PolarHBondContact O-OG1 3.05Å; D241-T258 HydrophobicContact CB-CG2 3.71Å; D241-T258 VanDerWaalsContact N-CG2 3.35Å
259	M	68.7	Low	82.9	Confident	97 Å²	97	67.2 Å²	67.2	48%	0.478	38%	0.378	S	S	.	.			trans	-157	160.9	-177.7	-64.1	-171.2	68.7	0	0	110.5	F231 R237	F231-M259 VanDerWaalsContact CZ-O 3.3Å; F231-M259 WeakPolarHBondContact CZ-O 3.45Å; R237-M259 PolarHBondContact NH1-SD 3.37Å
260	D	75.5	Confident	83.4	Confident	130 Å²	130	65.8 Å²	65.8	70%	0.695	37%	0.368	S	S	*	.			trans	-78.1	154.9	166.2	-74.4	-68.8	0	0	0	112.6	Y275	D260-Y275 PolarHBondContact OD1-OH 3.29Å
261	V	82.2	Confident	83.8	Confident	6 Å²	6	63.1 Å²	63.1	4%	0.036	35%	0.351	C	S	.	.			trans	-75.2	140.9	171.4	-176.9	0	0	0	0	110.5	F231 L234 T235 T263 Y266 I271 Y275	F231-V261 HydrophobicContact CD2-CG2 4.02Å; F231-V261 HydrophobicContact CE2-CG2 3.97Å; L234-V261 HydrophobicContact CB-CG1 4.15Å; L234-V261 HydrophobicContact CD1-CG1 4.23Å; L234-V261 HydrophobicContact CD1-CG2 4.39Å; L234-V261 HydrophobicContact CD2-CG1 4.48Å; T235-V261 HydrophobicContact CG2-CG2 4.19Å; V261-T263 PolarHBondContact O-N 3.45Å; V261-T263 VanDerWaalsContact O-N 3.13Å; V261-Y266 HydrophobicContact CG1-CD2 3.72Å; V261-Y266 HydrophobicContact CG1-CE2 4.15Å; V261-I271 HydrophobicContact CB-CD1 4.31Å; V261-I271 HydrophobicContact CB-CG1 4.17Å; V261-I271 HydrophobicContact CB-CG2 4.18Å; V261-I271 HydrophobicContact CG1-CD1 4.04Å; V261-I271 HydrophobicContact CG1-CG1 3.82Å; V261-Y275 HydrophobicContact CG2-CE1 4.1Å; V261-Y275 PolarHBondContact N-OH 2.92Å
262	N	82.9	Confident	84.2	Confident	66 Å²	66	64.7 Å²	64.7	35%	0.353	36%	0.36	S	S	.	.			trans	-69.2	107.7	-177.7	-173.6	-13.1	0	0	0	112.5	L136 D264 C265 Y266	L136-N262 HydrophobicContact CD1-CB 4.42Å; N262-D264 VanDerWaalsContact C-N 3.27Å; N262-D264 PolarHBondContact O-N 3.11Å; N262-D264 WeakPolarHBondContact OD1-CB 3.49Å; N262-D264 PolarHBondContact OD1-N 3.43Å; N262-C265 HydrophobicContact CB-CB 4.32Å; N262-C265 PolarHBondContact ND2-SG 3.29Å; N262-C265 VanDerWaalsContact ND2-SG 3.37Å; N262-C265 PolarHBondContact O-N 2.97Å; N262-Y266 WeakPolarHBondContact O-CD2 3.46Å; N262-Y266 PolarHBondContact O-N 3.29Å
263	T	83.6	Confident	84.5	Confident	106 Å²	106	64.8 Å²	64.8	65%	0.65	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-16	179.4	50.7	0	0	0	0	115	V261 C265 I271	V261-T263 PolarHBondContact O-N 3.45Å; V261-T263 VanDerWaalsContact O-N 3.13Å; T263-C265 VanDerWaalsContact C-N 3.33Å; T263-I271 HydrophobicContact CG2-CD1 3.92Å
264	D	84	Confident	84.9	Confident	148 Å²	148	62.3 Å²	62.3	79%	0.791	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-12.6	176.5	-58	-27.4	0	0	0	112	N262	N262-D264 VanDerWaalsContact C-N 3.27Å; N262-D264 PolarHBondContact O-N 3.11Å; N262-D264 WeakPolarHBondContact OD1-CB 3.49Å; N262-D264 PolarHBondContact OD1-N 3.43Å
265	C	86.5	Confident	85.3	Confident	64 Å²	64	60.3 Å²	60.3	43%	0.432	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-19.1	-174.7	-70	0	0	0	0	114.6	L136 N262 T263	L136-C265 HydrophobicContact CD1-CB 4.38Å; N262-C265 HydrophobicContact CB-CB 4.32Å; N262-C265 PolarHBondContact ND2-SG 3.29Å; N262-C265 VanDerWaalsContact ND2-SG 3.37Å; N262-C265 PolarHBondContact O-N 2.97Å; T263-C265 VanDerWaalsContact C-N 3.33Å
266	Y	92.9	Very high	85.9	Confident	8 Å²	8	62.5 Å²	62.5	3%	0.031	34%	0.34	C	S	.	.	S	Bend	trans	-140.3	145.6	-173.8	-53.2	-69.7	0	0	0	111.9	L136 F137 E139 V142 L234 V261 N262 L270	L136-Y266 HydrophobicContact CD1-CE2 4.25Å; F137-Y266 WeakPolarHBondContact O-CE1 3.38Å; F137-Y266 PolarHBondContact O-OH 2.95Å; E139-Y266 HydrophobicContact CB-CD1 4.25Å; E139-Y266 VanDerWaalsContact OE2-CA 3.29Å; E139-Y266 WeakPolarHBondContact OE2-CA 3.22Å; V142-Y266 HydrophobicContact CG2-CE1 3.98Å; L234-Y266 WeakPolarHBondContact CA-OH 3.4Å; L234-Y266 HydrophobicContact CB-CE2 4.15Å; L234-Y266 HydrophobicContact CD2-CD1 3.67Å; L234-Y266 HydrophobicContact CD2-CD2 3.7Å; L234-Y266 HydrophobicContact CD2-CE1 3.59Å; L234-Y266 HydrophobicContact CD2-CE2 3.6Å; L234-Y266 HydrophobicContact CD2-CG 3.7Å; L234-Y266 VanDerWaalsContact O-CE2 3.32Å; L234-Y266 WeakPolarHBondContact O-CE2 3.48Å; L234-Y266 PolarHBondContact O-OH 3.49Å; V261-Y266 HydrophobicContact CG1-CD2 3.72Å; V261-Y266 HydrophobicContact CG1-CE2 4.15Å; N262-Y266 WeakPolarHBondContact O-CD2 3.46Å; N262-Y266 PolarHBondContact O-N 3.29Å; Y266-L270 HydrophobicContact CD1-CD2 4.42Å
267	T	92.6	Very high	86.7	Confident	64 Å²	64	58.5 Å²	58.5	39%	0.393	32%	0.319	S	S	.	.			trans	-61.1	146.5	176.5	61.1	0	0	0	0	113	E139 A269 L270 I271	E139-T267 WeakPolarHBondContact OE1-CB 3.36Å; E139-T267 WeakPolarHBondContact OE1-CG2 3.37Å; E139-T267 PolarHBondContact OE1-OG1 2.86Å; E139-T267 PolarHBondContact OE2-N 3.34Å; T267-A269 PolarHBondContact O-N 3.21Å; T267-L270 PolarHBondContact O-N 3.19Å; T267-L270 VanDerWaalsContact O-N 3.13Å; T267-I271 PolarHBondContact O-N 2.95Å; T267-I271 VanDerWaalsContact O-N 3.15Å
268	S	90.8	Very high	87.6	Confident	99 Å²	99	54.2 Å²	54.2	69%	0.692	30%	0.303	S	S	*	.	H	α-helix	trans	-58.6	-30.3	176.2	52.2	0	0	0	0	113.2	Q272	S268-Q272 WeakPolarHBondContact O-CB 3.19Å; S268-Q272 PolarHBondContact O-N 3.28Å
269	A	92.1	Very high	89.1	Confident	40 Å²	40	54.2 Å²	54.2	33%	0.331	30%	0.301	S	S	.	.	H	α-helix	trans	-65.7	-42.4	176	0	0	0	0	0	112.4	T267 L273 F296	T267-A269 PolarHBondContact O-N 3.21Å; A269-L273 WeakPolarHBondContact O-CB 3.38Å; A269-L273 PolarHBondContact O-N 2.75Å; A269-F296 HydrophobicContact CB-CD1 4.08Å; A269-F296 HydrophobicContact CB-CE1 3.95Å
270	L	93.2	Very high	90.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-68.1	-40.5	176.5	179.5	58.7	0	0	0	111.8	E139 V142 L146 L234 Y266 T267 L273 V274 F296	E139-L270 HydrophobicContact CG-CD2 3.78Å; V142-L270 HydrophobicContact CB-CD2 4.34Å; V142-L270 HydrophobicContact CG1-CD2 4.06Å; L146-L270 HydrophobicContact CD2-CD1 3.7Å; L234-L270 HydrophobicContact CD2-CD2 4.1Å; L234-L270 HydrophobicContact CD2-CG 4.48Å; Y266-L270 HydrophobicContact CD1-CD2 4.42Å; T267-L270 PolarHBondContact O-N 3.19Å; T267-L270 VanDerWaalsContact O-N 3.13Å; L270-L273 PolarHBondContact O-N 2.94Å; L270-V274 PolarHBondContact O-N 2.91Å; L270-F296 HydrophobicContact CB-CZ 4.45Å; L270-F296 HydrophobicContact CD1-CE2 4.12Å; L270-F296 HydrophobicContact CD1-CZ 4.3Å
271	I	93.1	Very high	90.8	Very high	13 Å²	13	49 Å²	49	7%	0.067	27%	0.274	C	S	.	.	H	α-helix	trans	-64.6	-47	176	-61.8	174.4	0	0	0	110.6	V261 T263 T267 L273 V274 Y275	V261-I271 HydrophobicContact CB-CD1 4.31Å; V261-I271 HydrophobicContact CB-CG1 4.17Å; V261-I271 HydrophobicContact CB-CG2 4.18Å; V261-I271 HydrophobicContact CG1-CD1 4.04Å; V261-I271 HydrophobicContact CG1-CG1 3.82Å; T263-I271 HydrophobicContact CG2-CD1 3.92Å; T267-I271 PolarHBondContact O-N 2.95Å; T267-I271 VanDerWaalsContact O-N 3.15Å; I271-L273 PolarHBondContact O-N 3.11Å; I271-V274 PolarHBondContact O-N 3.46Å; I271-Y275 HydrophobicContact CG2-CD2 4.13Å; I271-Y275 HydrophobicContact CG2-CE2 3.77Å; I271-Y275 PolarHBondContact O-N 2.9Å; I271-Y275 VanDerWaalsContact O-N 3.11Å
272	Q	93.5	Very high	91.3	Very high	111 Å²	111	50.5 Å²	50.5	52%	0.519	28%	0.283	S	S	.	.	H	α-helix	trans	-57.8	-46.9	176.7	177.6	177.8	-22.7	0	0	111.4	S268 V274 Y275 E276	S268-Q272 WeakPolarHBondContact O-CB 3.19Å; S268-Q272 PolarHBondContact O-N 3.28Å; Q272-V274 VanDerWaalsContact C-N 3.29Å; Q272-V274 PolarHBondContact O-N 2.79Å; Q272-Y275 CarbonylContact O-C 3.49Å; Q272-Y275 PolarHBondContact O-N 3.05Å; Q272-Y275 VanDerWaalsContact O-N 3.14Å; Q272-E276 HydrophobicContact CG-CG 4.29Å; Q272-E276 WeakPolarHBondContact CG-OE1 3.3Å; Q272-E276 PolarHBondContact NE2-OE1 3.43Å; Q272-E276 WeakPolarHBondContact O-CG 3.45Å; Q272-E276 PolarHBondContact O-N 3.43Å
273	L	94.9	Very high	91.6	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-57.2	-40.8	179	-178.3	67.3	0	0	0	112.6	L146 A269 L270 I271 E276 C277 I291 Q294 F296	L146-L273 HydrophobicContact CD1-CD2 4.49Å; L146-L273 HydrophobicContact CD2-CD2 3.9Å; A269-L273 WeakPolarHBondContact O-CB 3.38Å; A269-L273 PolarHBondContact O-N 2.75Å; L270-L273 PolarHBondContact O-N 2.94Å; I271-L273 PolarHBondContact O-N 3.11Å; L273-E276 PolarHBondContact O-N 2.99Å; L273-C277 PolarHBondContact O-N 3.41Å; L273-C277 PolarHBondContact O-SG 3.22Å; L273-I291 HydrophobicContact CD1-CG1 4.1Å; L273-I291 HydrophobicContact CD1-CG2 4.39Å; L273-I291 HydrophobicContact CD2-CG2 4.05Å; L273-Q294 HydrophobicContact CD1-CG 3.9Å; L273-Q294 HydrophobicContact CD2-CG 4.44Å; L273-F296 HydrophobicContact CB-CZ 4.48Å; L273-F296 HydrophobicContact CD2-CE1 4.5Å; L273-F296 HydrophobicContact CD2-CE2 4.42Å; L273-F296 HydrophobicContact CD2-CZ 3.65Å
274	V	93.7	Very high	92.1	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.006	30%	0.295	C	S	.	.	H	α-helix	trans	-68.9	-40.2	177.9	171	0	0	0	0	111.2	L230 F231 L234 L270 I271 Q272 E276 C277 L278	L230-V274 HydrophobicContact CB-CG2 3.8Å; L230-V274 HydrophobicContact CD1-CG2 4.32Å; F231-V274 HydrophobicContact CB-CG1 4.18Å; L234-V274 HydrophobicContact CD1-CB 4.37Å; L234-V274 HydrophobicContact CD1-CG1 4.45Å; L234-V274 HydrophobicContact CD1-CG2 3.78Å; L270-V274 PolarHBondContact O-N 2.91Å; I271-V274 PolarHBondContact O-N 3.46Å; Q272-V274 VanDerWaalsContact C-N 3.29Å; Q272-V274 PolarHBondContact O-N 2.79Å; V274-E276 VanDerWaalsContact C-N 3.32Å; V274-E276 PolarHBondContact O-N 3.33Å; V274-C277 PolarHBondContact O-N 2.97Å; V274-L278 HydrophobicContact CG1-CD1 3.93Å; V274-L278 WeakPolarHBondContact O-CB 3.43Å; V274-L278 VanDerWaalsContact O-CG 3.31Å; V274-L278 WeakPolarHBondContact O-CG 3.36Å; V274-L278 PolarHBondContact O-N 3.37Å
275	Y	92.8	Very high	92.7	Very high	73 Å²	73	45.5 Å²	45.5	29%	0.286	26%	0.258	S	S	.	.	H	α-helix	trans	-68.8	-28.1	174.1	-66	-10.2	0	0	0	112.9	D260 V261 I271 Q272 L278 N279	D260-Y275 PolarHBondContact OD1-OH 3.29Å; V261-Y275 HydrophobicContact CG2-CE1 4.1Å; V261-Y275 PolarHBondContact N-OH 2.92Å; I271-Y275 HydrophobicContact CG2-CD2 4.13Å; I271-Y275 HydrophobicContact CG2-CE2 3.77Å; I271-Y275 PolarHBondContact O-N 2.9Å; I271-Y275 VanDerWaalsContact O-N 3.11Å; Q272-Y275 CarbonylContact O-C 3.49Å; Q272-Y275 PolarHBondContact O-N 3.05Å; Q272-Y275 VanDerWaalsContact O-N 3.14Å; Y275-L278 CarbonylContact O-C 3.6Å; Y275-L278 PolarHBondContact O-N 3.26Å; Y275-N279 PolarHBondContact O-N 3.07Å
276	E	94.9	Very high	93.2	Very high	58 Å²	58	43.1 Å²	43.1	27%	0.271	24%	0.242	S	C	.	.	H	α-helix	trans	-71.5	-43.3	170.8	-74.6	174.2	-179.5	0	0	111.9	Q272 L273 V274 L278 N279 R285	Q272-E276 HydrophobicContact CG-CG 4.29Å; Q272-E276 WeakPolarHBondContact CG-OE1 3.3Å; Q272-E276 PolarHBondContact NE2-OE1 3.43Å; Q272-E276 WeakPolarHBondContact O-CG 3.45Å; Q272-E276 PolarHBondContact O-N 3.43Å; L273-E276 PolarHBondContact O-N 2.99Å; V274-E276 VanDerWaalsContact C-N 3.32Å; V274-E276 PolarHBondContact O-N 3.33Å; E276-L278 PolarHBondContact O-N 2.96Å; E276-N279 WeakPolarHBondContact O-CB 3.37Å; E276-N279 PolarHBondContact O-N 2.99Å; E276-N279 VanDerWaalsContact O-N 3.14Å; E276-R285 WeakPolarHBondContact O-CA 3.42Å
277	C	95	Very high	93.3	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.007	26%	0.255	C	S	.	.	H	α-helix	trans	-59.9	-33	171.6	-65.7	0	0	0	0	112.1	I223 L273 V274 N279 R285	I223-C277 HydrophobicContact CG2-CB 4.06Å; L273-C277 PolarHBondContact O-N 3.41Å; L273-C277 PolarHBondContact O-SG 3.22Å; V274-C277 PolarHBondContact O-N 2.97Å; C277-N279 VanDerWaalsContact C-N 3.35Å; C277-R285 WeakPolarHBondContact O-CD 3.32Å; C277-R285 WeakPolarHBondContact O-CG 3.42Å
278	L	93.6	Very high	93.5	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	24	177.2	-66.4	172	0	0	0	113.3	W224 F231 T239 W257 V274 Y275 E276 Q280	W224-L278 HydrophobicContact CD2-CD2 3.94Å; W224-L278 HydrophobicContact CE3-CB 4.5Å; W224-L278 HydrophobicContact CE3-CD2 4.13Å; W224-L278 HydrophobicContact CG-CD2 4.4Å; W224-L278 HydrophobicContact CZ2-CD2 4.42Å; W224-L278 HydrophobicContact CZ3-CB 4.4Å; W224-L278 HydrophobicContact CZ3-CD2 4.46Å; W224-L278 WeakPolarHBondContact CZ3-O 3.41Å; F231-L278 HydrophobicContact CB-CD1 4.43Å; T239-L278 HydrophobicContact CG2-CD1 3.82Å; T239-L278 HydrophobicContact CG2-CD2 4.47Å; W257-L278 HydrophobicContact CE3-CD1 4.45Å; W257-L278 HydrophobicContact CH2-CB 3.67Å; W257-L278 VanDerWaalsContact CH2-O 3.26Å; W257-L278 WeakPolarHBondContact CH2-O 3.46Å; W257-L278 HydrophobicContact CZ3-CB 3.8Å; W257-L278 HydrophobicContact CZ3-CD1 3.9Å; W257-L278 HydrophobicContact CZ3-CD2 4.32Å; W257-L278 HydrophobicContact CZ3-CG 4.23Å; V274-L278 HydrophobicContact CG1-CD1 3.93Å; V274-L278 WeakPolarHBondContact O-CB 3.43Å; V274-L278 VanDerWaalsContact O-CG 3.31Å; V274-L278 WeakPolarHBondContact O-CG 3.36Å; V274-L278 PolarHBondContact O-N 3.37Å; Y275-L278 CarbonylContact O-C 3.6Å; Y275-L278 PolarHBondContact O-N 3.26Å; E276-L278 PolarHBondContact O-N 2.96Å; L278-Q280 PolarHBondContact O-N 3.45Å
279	N	93.7	Very high	93.7	Very high	50 Å²	50	41 Å²	41	27%	0.267	22%	0.223	S	C	.	.			trans	-65.5	135.4	174.4	-154.3	-65.5	0	0	0	111.2	Y275 E276 C277 D281 K284 R285	Y275-N279 PolarHBondContact O-N 3.07Å; E276-N279 WeakPolarHBondContact O-CB 3.37Å; E276-N279 PolarHBondContact O-N 2.99Å; E276-N279 VanDerWaalsContact O-N 3.14Å; C277-N279 VanDerWaalsContact C-N 3.35Å; N279-D281 PolarHBondContact O-N 3.19Å; N279-D281 PolarHBondContact OD1-N 2.76Å; N279-D281 VanDerWaalsContact OD1-N 3.09Å; N279-K284 HydrophobicContact CB-CB 4.08Å; N279-R285 HydrophobicContact CB-CG 3.92Å; N279-R285 PolarHBondContact O-NE 3.42Å; N279-R285 PolarHBondContact O-NH2 2.83Å
280	Q	91.1	Very high	93.9	Very high	60 Å²	60	44.1 Å²	44.1	28%	0.28	23%	0.231	S	C	.	.	S	Bend	trans	-57.9	-39.2	175.4	-75.4	-66.7	-40.4	0	0	111.8	I252 V253 L278 P282 R285	I252-Q280 PolarHBondContact O-NE2 3.48Å; I252-Q280 PolarHBondContact O-OE1 2.93Å; V253-Q280 PolarHBondContact O-OE1 2.89Å; L278-Q280 PolarHBondContact O-N 3.45Å; Q280-P282 WeakPolarHBondContact O-CD 3.39Å; Q280-R285 PolarHBondContact O-NH2 2.92Å
281	D	90.7	Very high	94	Very high	59 Å²	59	44.1 Å²	44.1	32%	0.316	23%	0.231	S	C	.	.	S	Bend	trans	-80.8	115.2	176	-177.9	-13.7	0	0	0	110.6	N279 A283 K284	N279-D281 PolarHBondContact O-N 3.19Å; N279-D281 PolarHBondContact OD1-N 2.76Å; N279-D281 VanDerWaalsContact OD1-N 3.09Å; D281-A283 PolarHBondContact O-N 3.15Å; D281-A283 VanDerWaalsContact O-N 3.16Å; D281-A283 WeakPolarHBondContact OD1-CB 3.47Å; D281-A283 PolarHBondContact OD1-N 3.03Å; D281-K284 HydrophobicContact CB-CB 4.22Å; D281-K284 HydrophobicContact CB-CD 4.13Å; D281-K284 HydrophobicContact CB-CG 3.98Å; D281-K284 PolarHBondContact O-N 3.32Å; D281-K284 IonicContact OD2-NZ 2.76Å; D281-K284 PolarHBondContact OD2-NZ 2.88Å
282	P	91	Very high	94.1	Very high	36 Å²	36	43.8 Å²	43.8	23%	0.234	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.8	180	-20.8	31.8	0	0	0	113.7	E210 K220 Q280 K284	E210-P282 HydrophobicContact CB-CG 4.45Å; E210-P282 HydrophobicContact CG-CG 4.29Å; K220-P282 HydrophobicContact CB-CB 4.1Å; K220-P282 WeakPolarHBondContact CB-O 3.12Å; K220-P282 WeakPolarHBondContact CD-O 3.39Å; K220-P282 VanDerWaalsContact CG-O 3.28Å; K220-P282 WeakPolarHBondContact CG-O 3.37Å; Q280-P282 WeakPolarHBondContact O-CD 3.39Å; P282-K284 VanDerWaalsContact C-N 3.29Å; P282-K284 PolarHBondContact O-N 3.17Å
283	A	90.4	Very high	94.2	Very high	85 Å²	85	43.1 Å²	43.1	70%	0.702	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-19.9	179	0	0	0	0	0	112.9	D281	D281-A283 PolarHBondContact O-N 3.15Å; D281-A283 VanDerWaalsContact O-N 3.16Å; D281-A283 WeakPolarHBondContact OD1-CB 3.47Å; D281-A283 PolarHBondContact OD1-N 3.03Å
284	K	93.9	Very high	94.2	Very high	128 Å²	128	45.5 Å²	45.5	56%	0.557	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-14.7	177.1	-66.1	-170.5	-174.8	79.4	0	114	N279 D281 P282	N279-K284 HydrophobicContact CB-CB 4.08Å; D281-K284 HydrophobicContact CB-CB 4.22Å; D281-K284 HydrophobicContact CB-CD 4.13Å; D281-K284 HydrophobicContact CB-CG 3.98Å; D281-K284 PolarHBondContact O-N 3.32Å; D281-K284 IonicContact OD2-NZ 2.76Å; D281-K284 PolarHBondContact OD2-NZ 2.88Å; P282-K284 VanDerWaalsContact C-N 3.29Å; P282-K284 PolarHBondContact O-N 3.17Å
285	R	95.8	Very high	94.2	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.008	27%	0.27	C	S	.	.	S	Bend	trans	-68.1	141.2	172.7	-55.6	174.4	-162.4	147.6	11.7	108.7	E210 K220 I223 E276 C277 N279 Q280	E210-R285 IonicContact OE1-CZ 3.75Å; E210-R285 IonicContact OE1-NH1 2.75Å; E210-R285 PolarHBondContact OE1-NH1 2.97Å; E210-R285 IonicContact OE1-NH2 3.46Å; E210-R285 IonicContact OE2-CZ 3.74Å; E210-R285 IonicContact OE2-NH1 2.79Å; E210-R285 PolarHBondContact OE2-NH1 3.45Å; E210-R285 IonicContact OE2-NH2 3.78Å; E210-R285 PolarHBondContact OE2-NH2 2.97Å; K220-R285 HydrophobicContact CD-CB 4.27Å; K220-R285 PolarHBondContact NZ-O 3.35Å; K220-R285 VanDerWaalsContact O-CD 3.3Å; K220-R285 WeakPolarHBondContact O-CD 3.43Å; K220-R285 PolarHBondContact O-NH1 3.43Å; I223-R285 HydrophobicContact CG2-CB 4.25Å; E276-R285 WeakPolarHBondContact O-CA 3.42Å; C277-R285 WeakPolarHBondContact O-CD 3.32Å; C277-R285 WeakPolarHBondContact O-CG 3.42Å; N279-R285 HydrophobicContact CB-CG 3.92Å; N279-R285 PolarHBondContact O-NE 3.42Å; N279-R285 PolarHBondContact O-NH2 2.83Å; Q280-R285 PolarHBondContact O-NH2 2.92Å
286	P	96.7	Very high	94.1	Very high	14 Å²	14	48.3 Å²	48.3	9%	0.091	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-66.4	167.8	174	27.4	-34.3	0	0	0	112	K220 E290 I291	K220-P286 PolarHBondContact NZ-O 3.14Å; P286-E290 HydrophobicContact CB-CB 4.14Å; P286-I291 HydrophobicContact CB-CD1 4.49Å; P286-I291 HydrophobicContact CB-CG1 3.94Å; P286-I291 HydrophobicContact CG-CD1 3.98Å; P286-I291 HydrophobicContact CG-CG1 3.72Å
287	T	96.4	Very high	94	Very high	51 Å²	51	45.6 Å²	45.6	31%	0.313	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-86.6	165.5	163.8	57.7	0	0	0	0	110.5	K220 D289 E290 I291	K220-T287 VanDerWaalsContact NZ-CG2 3.3Å; T287-D289 VanDerWaalsContact C-N 3.31Å; T287-D289 PolarHBondContact O-N 2.91Å; T287-E290 VanDerWaalsContact CB-OE2 3.31Å; T287-E290 WeakPolarHBondContact CB-OE2 3.37Å; T287-E290 WeakPolarHBondContact CG2-OE2 3.14Å; T287-E290 PolarHBondContact N-OE2 2.76Å; T287-E290 PolarHBondContact O-N 2.96Å; T287-E290 WeakPolarHBondContact OG1-CB 3.29Å; T287-E290 VanDerWaalsContact OG1-CD 3.27Å; T287-E290 VanDerWaalsContact OG1-CG 3.23Å; T287-E290 WeakPolarHBondContact OG1-CG 3.44Å; T287-E290 PolarHBondContact OG1-N 2.82Å; T287-E290 PolarHBondContact OG1-OE2 2.95Å; T287-I291 VanDerWaalsContact O-CG1 3.27Å; T287-I291 WeakPolarHBondContact O-CG1 2.98Å; T287-I291 PolarHBondContact O-N 3.04Å
288	A	95.7	Very high	93.8	Very high	2 Å²	2	48.2 Å²	48.2	2%	0.017	27%	0.269	C	S	.	.	H	α-helix	trans	-63.3	-35.4	177.7	0	0	0	0	0	112.8	T150 V153 A154 I223 I291 L292	T150-A288 HydrophobicContact CG2-CB 3.97Å; T150-A288 WeakPolarHBondContact CG2-O 3.37Å; V153-A288 HydrophobicContact CB-CB 4.41Å; V153-A288 HydrophobicContact CG1-CB 4.05Å; A154-A288 HydrophobicContact CB-CB 3.66Å; I223-A288 HydrophobicContact CD1-CB 4.13Å; A288-I291 PolarHBondContact O-N 2.8Å; A288-L292 WeakPolarHBondContact O-CG 3.42Å; A288-L292 PolarHBondContact O-N 2.68Å
289	D	95.3	Very high	93.7	Very high	73 Å²	73	53 Å²	53	39%	0.39	30%	0.301	S	S	.	.	H	α-helix	trans	-68.1	-43.3	174	-66.6	-77.7	0	0	0	112.1	T287 I291 L292 D293	T287-D289 VanDerWaalsContact C-N 3.31Å; T287-D289 PolarHBondContact O-N 2.91Å; D289-I291 PolarHBondContact O-N 2.93Å; D289-L292 PolarHBondContact O-N 2.87Å; D289-D293 PolarHBondContact O-N 2.74Å
290	E	96.3	Very high	93.6	Very high	107 Å²	107	53.7 Å²	53.7	50%	0.5	31%	0.305	S	S	.	.	H	α-helix	trans	-60.2	-27.9	173.4	-73	164.8	133.7	0	0	112.9	P286 T287	P286-E290 HydrophobicContact CB-CB 4.14Å; T287-E290 VanDerWaalsContact CB-OE2 3.31Å; T287-E290 WeakPolarHBondContact CB-OE2 3.37Å; T287-E290 WeakPolarHBondContact CG2-OE2 3.14Å; T287-E290 PolarHBondContact N-OE2 2.76Å; T287-E290 PolarHBondContact O-N 2.96Å; T287-E290 WeakPolarHBondContact OG1-CB 3.29Å; T287-E290 VanDerWaalsContact OG1-CD 3.27Å; T287-E290 VanDerWaalsContact OG1-CG 3.23Å; T287-E290 WeakPolarHBondContact OG1-CG 3.44Å; T287-E290 PolarHBondContact OG1-N 2.82Å; T287-E290 PolarHBondContact OG1-OE2 2.95Å
291	I	96.4	Very high	93.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-74	-44	172.1	-64.8	165.3	0	0	0	110.8	L146 T150 I223 M226 L273 P286 T287 A288 D289 D293 Q294 I297	L146-I291 HydrophobicContact CD1-CG2 4.19Å; T150-I291 HydrophobicContact CG2-CB 3.75Å; T150-I291 HydrophobicContact CG2-CD1 4.45Å; T150-I291 HydrophobicContact CG2-CG2 3.64Å; I223-I291 HydrophobicContact CD1-CD1 4.3Å; I223-I291 HydrophobicContact CG2-CD1 4.26Å; M226-I291 HydrophobicContact CE-CD1 3.4Å; L273-I291 HydrophobicContact CD1-CG1 4.1Å; L273-I291 HydrophobicContact CD1-CG2 4.39Å; L273-I291 HydrophobicContact CD2-CG2 4.05Å; P286-I291 HydrophobicContact CB-CD1 4.49Å; P286-I291 HydrophobicContact CB-CG1 3.94Å; P286-I291 HydrophobicContact CG-CD1 3.98Å; P286-I291 HydrophobicContact CG-CG1 3.72Å; T287-I291 VanDerWaalsContact O-CG1 3.27Å; T287-I291 WeakPolarHBondContact O-CG1 2.98Å; T287-I291 PolarHBondContact O-N 3.04Å; A288-I291 PolarHBondContact O-N 2.8Å; D289-I291 PolarHBondContact O-N 2.93Å; I291-D293 PolarHBondContact O-N 2.85Å; I291-Q294 VanDerWaalsContact O-CB 3.28Å; I291-Q294 WeakPolarHBondContact O-CB 3.46Å; I291-Q294 VanDerWaalsContact O-CG 3.31Å; I291-Q294 WeakPolarHBondContact O-CG 3.13Å; I291-Q294 PolarHBondContact O-N 2.59Å; I291-I297 HydrophobicContact CG2-CD1 4.3Å; I291-I297 WeakPolarHBondContact O-CD1 3.4Å
292	L	95.2	Very high	93.6	Very high	5 Å²	5	58.5 Å²	58.5	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-66.8	-24.4	177.8	-68.4	171.4	0	0	0	113.4	Y147 T150 A154 A288 D289 Q294 I297	Y147-L292 HydrophobicContact CD2-CD2 3.82Å; Y147-L292 HydrophobicContact CE2-CD2 4.07Å; T150-L292 HydrophobicContact CG2-CD1 4.44Å; T150-L292 HydrophobicContact CG2-CD2 3.95Å; T150-L292 HydrophobicContact CG2-CG 3.73Å; A154-L292 HydrophobicContact CB-CD1 3.95Å; A288-L292 WeakPolarHBondContact O-CG 3.42Å; A288-L292 PolarHBondContact O-N 2.68Å; D289-L292 PolarHBondContact O-N 2.87Å; L292-Q294 VanDerWaalsContact C-N 3.34Å; L292-I297 HydrophobicContact CD2-CG2 4.33Å
293	D	95.4	Very high	93.6	Very high	97 Å²	97	62.3 Å²	62.3	52%	0.519	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-4.5	177.7	-71.4	-2	0	0	0	113.1	D289 I291 R301	D289-D293 PolarHBondContact O-N 2.74Å; I291-D293 PolarHBondContact O-N 2.85Å; D293-R301 IonicContact OD1-CZ 3.84Å; D293-R301 IonicContact OD1-NH1 2.65Å; D293-R301 PolarHBondContact OD1-NH1 3.15Å
294	Q	95.2	Very high	93.7	Very high	52 Å²	52	58.7 Å²	58.7	24%	0.243	31%	0.306	C	S	.	.	S	Bend	trans	-56.2	137.8	173.8	-73.8	-70.2	-14.5	0	0	111.4	L273 I291 L292 F296 I297 S298	L273-Q294 HydrophobicContact CD1-CG 3.9Å; L273-Q294 HydrophobicContact CD2-CG 4.44Å; I291-Q294 VanDerWaalsContact O-CB 3.28Å; I291-Q294 WeakPolarHBondContact O-CB 3.46Å; I291-Q294 VanDerWaalsContact O-CG 3.31Å; I291-Q294 WeakPolarHBondContact O-CG 3.13Å; I291-Q294 PolarHBondContact O-N 2.59Å; L292-Q294 VanDerWaalsContact C-N 3.34Å; Q294-F296 VanDerWaalsContact C-N 3.27Å; Q294-F296 HydrophobicContact CB-CD1 4.32Å; Q294-F296 HydrophobicContact CB-CE1 4.03Å; Q294-F296 HydrophobicContact CB-CZ 4.48Å; Q294-F296 PolarHBondContact O-N 2.72Å; Q294-I297 HydrophobicContact CB-CD1 4.49Å; Q294-I297 PolarHBondContact O-N 2.84Å; Q294-S298 WeakPolarHBondContact O-CB 3.43Å; Q294-S298 PolarHBondContact O-N 2.91Å
295	P	92.8	Very high	93.6	Very high	98 Å²	98	55.7 Å²	55.7	64%	0.636	30%	0.296	S	S	*	.	H	α-helix	trans	-55.7	-35	-168.3	-29.7	36	0	0	0	115.5	C299	P295-C299 WeakPolarHBondContact O-CB 3.44Å; P295-C299 PolarHBondContact O-N 3.07Å; P295-C299 PolarHBondContact O-SG 3.48Å
296	F	91.2	Very high	93.2	Very high	36 Å²	36	60.9 Å²	60.9	16%	0.158	32%	0.32	C	S	.	.	H	α-helix	trans	-82	-9.1	-178.7	64.9	-91.4	0	0	0	114.5	I143 L146 A269 L270 L273 Q294	I143-F296 HydrophobicContact CD1-CD2 4.06Å; I143-F296 HydrophobicContact CG1-CD2 4.19Å; I143-F296 HydrophobicContact CG1-CE2 4.4Å; L146-F296 HydrophobicContact CD2-CE2 4.12Å; A269-F296 HydrophobicContact CB-CD1 4.08Å; A269-F296 HydrophobicContact CB-CE1 3.95Å; L270-F296 HydrophobicContact CB-CZ 4.45Å; L270-F296 HydrophobicContact CD1-CE2 4.12Å; L270-F296 HydrophobicContact CD1-CZ 4.3Å; L273-F296 HydrophobicContact CB-CZ 4.48Å; L273-F296 HydrophobicContact CD2-CE1 4.5Å; L273-F296 HydrophobicContact CD2-CE2 4.42Å; L273-F296 HydrophobicContact CD2-CZ 3.65Å; Q294-F296 VanDerWaalsContact C-N 3.27Å; Q294-F296 HydrophobicContact CB-CD1 4.32Å; Q294-F296 HydrophobicContact CB-CE1 4.03Å; Q294-F296 HydrophobicContact CB-CZ 4.48Å; Q294-F296 PolarHBondContact O-N 2.72Å
297	I	92.3	Very high	92.8	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-101.7	-48.4	169.8	-64.4	166.4	0	0	0	109.1	L146 Y147 I291 L292 Q294 C299 L300 R301	L146-I297 HydrophobicContact CD2-CD1 3.75Å; L146-I297 HydrophobicContact CG-CD1 3.9Å; Y147-I297 HydrophobicContact CD2-CG2 3.95Å; I291-I297 HydrophobicContact CG2-CD1 4.3Å; I291-I297 WeakPolarHBondContact O-CD1 3.4Å; L292-I297 HydrophobicContact CD2-CG2 4.33Å; Q294-I297 HydrophobicContact CB-CD1 4.49Å; Q294-I297 PolarHBondContact O-N 2.84Å; I297-C299 VanDerWaalsContact C-N 3.29Å; I297-C299 PolarHBondContact O-N 2.89Å; I297-L300 CarbonylContact O-C 3.6Å; I297-L300 PolarHBondContact O-N 2.88Å; I297-R301 PolarHBondContact O-N 3.36Å
298	S	91.8	Very high	92.5	Very high	56 Å²	56	62.4 Å²	62.4	39%	0.392	32%	0.318	S	S	.	.	H	α-helix	trans	-57.3	-37.9	-176.2	-169.8	0	0	0	0	112.9	Q294 L300 R301	Q294-S298 WeakPolarHBondContact O-CB 3.43Å; Q294-S298 PolarHBondContact O-N 2.91Å; S298-L300 VanDerWaalsContact C-N 3.31Å; S298-L300 PolarHBondContact O-N 3.06Å; S298-R301 WeakPolarHBondContact O-CB 3.24Å; S298-R301 PolarHBondContact O-N 3.18Å
299	C	91.1	Very high	92.2	Very high	101 Å²	101	64.7 Å²	64.7	68%	0.682	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-22.7	177.1	69.4	0	0	0	0	114.6	P295 I297	P295-C299 WeakPolarHBondContact O-CB 3.44Å; P295-C299 PolarHBondContact O-N 3.07Å; P295-C299 PolarHBondContact O-SG 3.48Å; I297-C299 VanDerWaalsContact C-N 3.29Å; I297-C299 PolarHBondContact O-N 2.89Å
300	L	91.4	Very high	91.6	Very high	66 Å²	66	67.3 Å²	67.3	35%	0.346	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-7.2	178	-62.3	178	0	0	0	112.7	I297 S298 Q302 E303 L304	I297-L300 CarbonylContact O-C 3.6Å; I297-L300 PolarHBondContact O-N 2.88Å; S298-L300 VanDerWaalsContact C-N 3.31Å; S298-L300 PolarHBondContact O-N 3.06Å; L300-Q302 VanDerWaalsContact C-N 3.25Å; L300-Q302 PolarHBondContact O-N 3.29Å; L300-E303 PolarHBondContact O-N 3.32Å; L300-L304 HydrophobicContact CB-CD1 3.65Å; L300-L304 HydrophobicContact CB-CG 3.95Å; L300-L304 WeakPolarHBondContact O-CG 3.3Å; L300-L304 PolarHBondContact O-N 3.49Å
301	R	91.3	Very high	90.9	Very high	77 Å²	77	64.1 Å²	64.1	29%	0.291	33%	0.33	S	S	.	.	H	α-helix	trans	-53	-36	-166.8	-171.5	171.9	-175	164.4	-0.5	114.5	Y147 D293 I297 S298 D305	Y147-R301 HydrophobicContact CE2-CG 4.1Å; D293-R301 IonicContact OD1-CZ 3.84Å; D293-R301 IonicContact OD1-NH1 2.65Å; D293-R301 PolarHBondContact OD1-NH1 3.15Å; I297-R301 PolarHBondContact O-N 3.36Å; S298-R301 WeakPolarHBondContact O-CB 3.24Å; S298-R301 PolarHBondContact O-N 3.18Å; R301-D305 WeakPolarHBondContact O-CB 3.36Å; R301-D305 PolarHBondContact O-N 3.05Å
302	Q	90.9	Very high	90.2	Very high	142 Å²	142	64.2 Å²	64.2	66%	0.664	33%	0.33	S	S	*	.	H	α-helix	trans	-69.9	-48.2	175.9	-178.3	178.2	-15.3	0	0	112	L300 L304 D305 E306	L300-Q302 VanDerWaalsContact C-N 3.25Å; L300-Q302 PolarHBondContact O-N 3.29Å; Q302-L304 VanDerWaalsContact C-N 3.29Å; Q302-L304 PolarHBondContact O-N 3.18Å; Q302-D305 PolarHBondContact O-N 2.96Å; Q302-E306 HydrophobicContact CG-CG 4.42Å; Q302-E306 VanDerWaalsContact CG-OE1 3.31Å; Q302-E306 WeakPolarHBondContact CG-OE1 3.44Å; Q302-E306 PolarHBondContact NE2-OE1 2.77Å; Q302-E306 WeakPolarHBondContact O-CB 3.43Å; Q302-E306 WeakPolarHBondContact O-CG 3.32Å; Q302-E306 PolarHBondContact O-N 3.03Å
303	E	90.6	Very high	89	Confident	116 Å²	116	69.8 Å²	69.8	54%	0.542	36%	0.36	S	S	.	.	H	α-helix	trans	-61.1	-41.2	177.8	-171.7	-167.3	144.9	0	0	111	L300 R307	L300-E303 PolarHBondContact O-N 3.32Å; E303-R307 WeakPolarHBondContact O-CB 3.49Å; E303-R307 PolarHBondContact O-N 2.83Å
304	L	91.6	Very high	87.1	Confident	9 Å²	9	69.6 Å²	69.6	5%	0.047	37%	0.371	C	S	.	.	H	α-helix	trans	-65.8	-41.8	178.5	-61.1	168.5	0	0	0	111.7	W144 Y147 L300 Q302 V308	W144-L304 HydrophobicContact CE3-CD2 3.79Å; W144-L304 HydrophobicContact CZ3-CD2 4.3Å; Y147-L304 HydrophobicContact CD1-CB 3.61Å; Y147-L304 HydrophobicContact CD1-CD1 4.37Å; Y147-L304 HydrophobicContact CD1-CG 4.48Å; Y147-L304 HydrophobicContact CD2-CB 4.31Å; Y147-L304 HydrophobicContact CD2-CD1 4.1Å; Y147-L304 HydrophobicContact CE1-CB 3.67Å; Y147-L304 HydrophobicContact CE2-CB 4.36Å; Y147-L304 HydrophobicContact CG-CB 3.95Å; Y147-L304 HydrophobicContact CG-CD1 3.88Å; Y147-L304 HydrophobicContact CG-CG 4.47Å; L300-L304 HydrophobicContact CB-CD1 3.65Å; L300-L304 HydrophobicContact CB-CG 3.95Å; L300-L304 WeakPolarHBondContact O-CG 3.3Å; L300-L304 PolarHBondContact O-N 3.49Å; Q302-L304 VanDerWaalsContact C-N 3.29Å; Q302-L304 PolarHBondContact O-N 3.18Å; L304-V308 WeakPolarHBondContact O-CB 3.3Å; L304-V308 WeakPolarHBondContact O-CG2 3.37Å; L304-V308 PolarHBondContact O-N 2.87Å
305	D	92.2	Very high	85.2	Confident	66 Å²	66	70.3 Å²	70.3	35%	0.353	38%	0.375	S	S	.	.	H	α-helix	trans	-68.9	-44.8	175	-167.6	40.4	0	0	0	111.9	Y147 R301 Q302 R307 V308 V309	Y147-D305 WeakPolarHBondContact OH-CB 3.41Å; R301-D305 WeakPolarHBondContact O-CB 3.36Å; R301-D305 PolarHBondContact O-N 3.05Å; Q302-D305 PolarHBondContact O-N 2.96Å; D305-R307 VanDerWaalsContact C-N 3.26Å; D305-R307 PolarHBondContact O-N 3.26Å; D305-V308 CarbonylContact O-C 3.4Å; D305-V308 PolarHBondContact O-N 3.37Å; D305-V308 VanDerWaalsContact O-N 3.09Å; D305-V309 WeakPolarHBondContact O-CB 3.36Å; D305-V309 WeakPolarHBondContact O-CG2 3.47Å; D305-V309 PolarHBondContact O-N 3.24Å
306	E	88.4	Confident	83.3	Confident	110 Å²	110	71.3 Å²	71.3	51%	0.514	37%	0.37	S	S	.	.	H	α-helix	trans	-58.5	-39.2	175.7	-74.9	-179.8	-159.3	0	0	111.5	Q302 V309 M310	Q302-E306 HydrophobicContact CG-CG 4.42Å; Q302-E306 VanDerWaalsContact CG-OE1 3.31Å; Q302-E306 WeakPolarHBondContact CG-OE1 3.44Å; Q302-E306 PolarHBondContact NE2-OE1 2.77Å; Q302-E306 WeakPolarHBondContact O-CB 3.43Å; Q302-E306 WeakPolarHBondContact O-CG 3.32Å; Q302-E306 PolarHBondContact O-N 3.03Å; E306-V309 PolarHBondContact O-N 3.04Å; E306-M310 VanDerWaalsContact O-CB 3.27Å; E306-M310 WeakPolarHBondContact O-CB 3.45Å; E306-M310 PolarHBondContact O-N 3.33Å
307	R	87.7	Confident	81.6	Confident	97 Å²	97	73.1 Å²	73.1	37%	0.366	38%	0.377	S	S	.	.	H	α-helix	trans	-66	-43.6	173.1	-172.7	176.2	177.5	169.1	-2.3	112	E140 W144 E303 D305 M310 L311	E140-R307 IonicContact OE1-NH1 2.82Å; W144-R307 HydrophobicContact CH2-CB 4.07Å; W144-R307 HydrophobicContact CH2-CG 3.63Å; W144-R307 HydrophobicContact CZ2-CG 4.37Å; W144-R307 HydrophobicContact CZ3-CB 3.99Å; W144-R307 HydrophobicContact CZ3-CG 3.81Å; E303-R307 WeakPolarHBondContact O-CB 3.49Å; E303-R307 PolarHBondContact O-N 2.83Å; D305-R307 VanDerWaalsContact C-N 3.26Å; D305-R307 PolarHBondContact O-N 3.26Å; R307-M310 PolarHBondContact O-N 3.21Å; R307-L311 HydrophobicContact CG-CD1 4.41Å; R307-L311 WeakPolarHBondContact O-CB 3.37Å; R307-L311 VanDerWaalsContact O-CG 3.28Å; R307-L311 WeakPolarHBondContact O-CG 3.31Å; R307-L311 PolarHBondContact O-N 2.88Å
308	V	90.4	Very high	79.1	Confident	0 Å²	0	79 Å²	79	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-62.3	-42.8	174.3	161.8	0	0	0	0	111.6	N98 N99 W144 Y147 Q148 L178 L304 D305 N312	N98-V308 HydrophobicContact CB-CG1 3.36Å; N99-V308 WeakPolarHBondContact OD1-CG1 3.23Å; W144-V308 HydrophobicContact CH2-CB 4.43Å; W144-V308 HydrophobicContact CH2-CG2 3.47Å; W144-V308 VanDerWaalsContact CH2-CG2 3.47Å; W144-V308 HydrophobicContact CZ2-CG2 4.43Å; W144-V308 HydrophobicContact CZ3-CG2 3.76Å; Y147-V308 HydrophobicContact CD1-CG2 4.48Å; Y147-V308 HydrophobicContact CE1-CG2 4.02Å; Q148-V308 HydrophobicContact CG-CG2 3.86Å; L178-V308 HydrophobicContact CD1-CG1 4.3Å; L178-V308 HydrophobicContact CD1-CG2 4.36Å; L304-V308 WeakPolarHBondContact O-CB 3.3Å; L304-V308 WeakPolarHBondContact O-CG2 3.37Å; L304-V308 PolarHBondContact O-N 2.87Å; D305-V308 CarbonylContact O-C 3.4Å; D305-V308 PolarHBondContact O-N 3.37Å; D305-V308 VanDerWaalsContact O-N 3.09Å; V308-N312 WeakPolarHBondContact O-CB 3.29Å; V308-N312 PolarHBondContact O-N 3.1Å; V308-N312 PolarHBondContact O-ND2 2.71Å
309	V	88.1	Confident	76.8	Confident	50 Å²	50	82.3 Å²	82.3	30%	0.303	42%	0.423	S	S	.	.	H	α-helix	trans	-65.3	-47.1	176.7	169.7	0	0	0	0	110.5	N98 D305 E306 L311 N312 L313	N98-V309 WeakPolarHBondContact ND2-CG2 3.47Å; D305-V309 WeakPolarHBondContact O-CB 3.36Å; D305-V309 WeakPolarHBondContact O-CG2 3.47Å; D305-V309 PolarHBondContact O-N 3.24Å; E306-V309 PolarHBondContact O-N 3.04Å; V309-L311 VanDerWaalsContact C-N 3.34Å; V309-L311 PolarHBondContact O-N 2.97Å; V309-N312 CarbonylContact O-C 3.5Å; V309-N312 PolarHBondContact O-N 3.17Å; V309-N312 VanDerWaalsContact O-N 3.14Å; V309-L313 HydrophobicContact CG1-CD1 4.09Å; V309-L313 HydrophobicContact CG1-CG 4.3Å; V309-L313 WeakPolarHBondContact O-CG 3.34Å; V309-L313 PolarHBondContact O-N 2.9Å
310	M	82.8	Confident	74.5	Confident	128 Å²	128	81.9 Å²	81.9	63%	0.631	41%	0.414	S	S	*	.	H	α-helix	trans	-59.1	-43.7	178.4	-169.9	-167.5	-54	0	0	112	E306 R307 L313	E306-M310 VanDerWaalsContact O-CB 3.27Å; E306-M310 WeakPolarHBondContact O-CB 3.45Å; E306-M310 PolarHBondContact O-N 3.33Å; R307-M310 PolarHBondContact O-N 3.21Å; M310-L313 PolarHBondContact O-N 2.81Å
311	L	81.7	Confident	71.8	Confident	40 Å²	40	83.2 Å²	83.2	21%	0.209	43%	0.428	C	S	.	.	H	α-helix	trans	-67.8	-35.3	176	-69	173.8	0	0	0	112.3	W144 T176 L178 R307 V309	W144-L311 HydrophobicContact CH2-CD1 4.06Å; W144-L311 HydrophobicContact CZ2-CD1 3.72Å; T176-L311 HydrophobicContact CG2-CD2 4.49Å; L178-L311 HydrophobicContact CB-CB 4.42Å; L178-L311 HydrophobicContact CB-CD1 4.38Å; L178-L311 HydrophobicContact CD1-CB 4.22Å; L178-L311 HydrophobicContact CD2-CB 4.46Å; R307-L311 HydrophobicContact CG-CD1 4.41Å; R307-L311 WeakPolarHBondContact O-CB 3.37Å; R307-L311 VanDerWaalsContact O-CG 3.28Å; R307-L311 WeakPolarHBondContact O-CG 3.31Å; R307-L311 PolarHBondContact O-N 2.88Å; V309-L311 VanDerWaalsContact C-N 3.34Å; V309-L311 PolarHBondContact O-N 2.97Å
312	N	81.9	Confident	69.3	Low	2 Å²	2	86.8 Å²	86.8	1%	0.011	46%	0.459	C	S	.	.	H	α-helix	trans	-72.8	-27.7	173	-86.9	-89.4	0	0	0	113.2	N98 L178 K180 V308 V309 A314 M315 K316	N98-N312 PolarHBondContact O-ND2 2.96Å; N98-N312 PolarHBondContact O-OD1 2.94Å; L178-N312 WeakPolarHBondContact CD2-ND2 3.34Å; K180-N312 PolarHBondContact NZ-OD1 3.29Å; V308-N312 WeakPolarHBondContact O-CB 3.29Å; V308-N312 PolarHBondContact O-N 3.1Å; V308-N312 PolarHBondContact O-ND2 2.71Å; V309-N312 CarbonylContact O-C 3.5Å; V309-N312 PolarHBondContact O-N 3.17Å; V309-N312 VanDerWaalsContact O-N 3.14Å; N312-A314 PolarHBondContact O-N 3.26Å; N312-M315 CarbonylContact O-C 3.49Å; N312-M315 WeakPolarHBondContact O-CA 3.5Å; N312-M315 PolarHBondContact O-N 3.44Å; N312-K316 HydrophobicContact CB-CD 4.41Å; N312-K316 HydrophobicContact CB-CG 4.32Å; N312-K316 WeakPolarHBondContact O-CB 3.5Å; N312-K316 PolarHBondContact O-N 2.96Å
313	L	71.3	Confident	66.6	Low	123 Å²	123	84.7 Å²	84.7	64%	0.644	46%	0.455	S	S	*	.	H	α-helix	trans	-65.1	-23.5	178.5	-79.5	170.2	0	0	0	112.9	V309 M310 M315	V309-L313 HydrophobicContact CG1-CD1 4.09Å; V309-L313 HydrophobicContact CG1-CG 4.3Å; V309-L313 WeakPolarHBondContact O-CG 3.34Å; V309-L313 PolarHBondContact O-N 2.9Å; M310-L313 PolarHBondContact O-N 2.81Å; L313-M315 PolarHBondContact O-N 2.95Å
314	A	55.4	Low	64.2	Low	93 Å²	93	85 Å²	85	77%	0.769	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-7.9	170.2	0	0	0	0	0	113.8	N312	N312-A314 PolarHBondContact O-N 3.26Å
315	M	55.4	Low	62.1	Low	66 Å²	66	89.6 Å²	89.6	33%	0.325	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.2	-21.7	-172.6	-64.5	179.8	63.1	0	0	114.2	E118 T174 N312 L313 K317	E118-M315 HydrophobicContact CG-CE 4.44Å; E118-M315 WeakPolarHBondContact OE1-CE 3.41Å; T174-M315 HydrophobicContact CG2-CE 3.93Å; T174-M315 HydrophobicContact CG2-SD 3.67Å; N312-M315 CarbonylContact O-C 3.49Å; N312-M315 WeakPolarHBondContact O-CA 3.5Å; N312-M315 PolarHBondContact O-N 3.44Å; L313-M315 PolarHBondContact O-N 2.95Å; M315-K317 PolarHBondContact O-N 3.33Å
316	K	52.3	Low	60.6	Low	119 Å²	119	89.5 Å²	89.5	52%	0.517	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-69.5	125.6	-176.6	-88.7	-172.6	177.1	-177.2	0	111.7	N98 N312	N98-K316 VanDerWaalsContact OD1-CE 3.23Å; N98-K316 WeakPolarHBondContact OD1-CE 3.44Å; N98-K316 PolarHBondContact OD1-NZ 3.21Å; N312-K316 HydrophobicContact CB-CD 4.41Å; N312-K316 HydrophobicContact CB-CG 4.32Å; N312-K316 WeakPolarHBondContact O-CB 3.5Å; N312-K316 PolarHBondContact O-N 2.96Å
317	K	55.7	Low	59.6	Low	74 Å²	74	85.2 Å²	85.2	32%	0.322	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-100.4	158.3	170.4	-56.4	-171.8	-172.8	-171.4	0	110.5	D63 S65 M315 K319	D63-K317 WeakPolarHBondContact OD2-CE 3.47Å; D63-K317 IonicContact OD2-NZ 3.81Å; D63-K317 PolarHBondContact OD2-NZ 2.9Å; S65-K317 PolarHBondContact OG-NZ 3.44Å; M315-K317 PolarHBondContact O-N 3.33Å; K317-K319 PolarHBondContact O-N 3.33Å
318	P	38.3	Very low	59.2	Low	123 Å²	123	80.7 Å²	80.7	80%	0.799	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-58.9	136.3	155.3	28.3	-34.1	0	0	0	109.5
319	K	44.2	Very low	58.7	Low	126 Å²	126	80.7 Å²	80.7	55%	0.548	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-65.8	138.2	162.1	-76.8	-178.8	171.6	178.8	0	108.4	E96 K317 S321	E96-K319 VanDerWaalsContact OE1-CE 3.23Å; E96-K319 WeakPolarHBondContact OE1-CE 3.47Å; E96-K319 IonicContact OE1-NZ 2.67Å; E96-K319 PolarHBondContact OE1-NZ 3.15Å; E96-K319 WeakPolarHBondContact OE2-CE 3.48Å; E96-K319 IonicContact OE2-NZ 3.27Å; E96-K319 PolarHBondContact OE2-NZ 3.3Å; K317-K319 PolarHBondContact O-N 3.33Å; K319-S321 PolarHBondContact O-N 2.99Å
320	L	43.7	Very low	58.3	Low	93 Å²	93	78.9 Å²	78.9	49%	0.487	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-62.3	118.8	164.1	-137.1	65.3	0	0	0	106.9	E37 T322	E37-L320 WeakPolarHBondContact OE2-CD2 3.23Å; L320-T322 PolarHBondContact O-N 3.17Å
321	S	34.6	Very low	58.2	Low	94 Å²	94	73.5 Å²	73.5	66%	0.657	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-67.4	132.3	-175.6	53.1	0	0	0	0	110.3	K319 V323	K319-S321 PolarHBondContact O-N 2.99Å; S321-V323 PolarHBondContact O-N 2.86Å
322	T	37.5	Very low	57.8	Low	151 Å²	151	72 Å²	72	93%	0.926	41%	0.414	S	S	*	.			trans	-69.8	74.7	177.8	37.3	0	0	0	0	112	L320	L320-T322 PolarHBondContact O-N 3.17Å
323	V	35.4	Very low	57.2	Low	98 Å²	98	74.2 Å²	74.2	59%	0.594	43%	0.428	S	S	*	.			trans	-122.1	95.7	-179.4	-176.5	0	0	0	0	109.6	S321 E325	S321-V323 PolarHBondContact O-N 2.86Å; V323-E325 VanDerWaalsContact C-N 3.26Å; V323-E325 PolarHBondContact O-N 3.16Å
324	S	40	Very low	57.1	Low	123 Å²	123	72 Å²	72	86%	0.86	41%	0.411	S	S	*	.	S	Bend	trans	58.2	-23	164.1	48.1	0	0	0	0	121.5
325	E	47.7	Very low	58.1	Low	106 Å²	106	68.8 Å²	68.8	50%	0.495	38%	0.383	S	S	.	.			trans	-113.3	135.1	-177.9	-63.9	-167.6	-167.4	0	0	112.7	V323 P327	V323-E325 VanDerWaalsContact C-N 3.26Å; V323-E325 PolarHBondContact O-N 3.16Å; E325-P327 WeakPolarHBondContact O-CD 3.46Å
326	T	59.3	Low	59.5	Low	64 Å²	64	67.1 Å²	67.1	39%	0.393	37%	0.373	S	S	.	.			trans	-87.3	113.2	177.2	48.2	0	0	0	0	109.9	S727	T326-S727 WeakPolarHBondContact CG2-OG 3.45Å
327	P	68.9	Low	61.1	Low	20 Å²	20	63.1 Å²	63.1	13%	0.13	36%	0.356	C	S	.	.			trans	-66.9	144.1	-176.8	28	-36	0	0	0	111.6	E37 L39 N105 E325	E37-P327 CarbonylContact O-C 3.53Å; E37-P327 VanDerWaalsContact O-CA 3.28Å; E37-P327 WeakPolarHBondContact O-CA 3.29Å; L39-P327 HydrophobicContact CD1-CB 3.85Å; L39-P327 HydrophobicContact CD1-CG 4.27Å; L39-P327 HydrophobicContact CG-CB 4.15Å; N105-P327 WeakPolarHBondContact ND2-CG 2.98Å; E325-P327 WeakPolarHBondContact O-CD 3.46Å
328	V	78.6	Confident	62.8	Low	2 Å²	2	59.6 Å²	59.6	1%	0.012	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123	-174.6	176.2	0	0	0	0	109.3	E36 E37 K38 L39 T722 I723 R724	E36-V328 HydrophobicContact CB-CG2 4.06Å; E36-V328 HydrophobicContact CG-CG2 4.48Å; E37-V328 PolarHBondContact O-N 3.43Å; K38-V328 WeakPolarHBondContact CA-O 3.44Å; K38-V328 HydrophobicContact CG-CB 4.4Å; L39-V328 PolarHBondContact N-O 2.74Å; V328-T722 HydrophobicContact CG1-CG2 3.35Å; V328-I723 WeakPolarHBondContact CG1-O 3.46Å; V328-R724 HydrophobicContact CG1-CG 4.25Å; V328-R724 HydrophobicContact CG2-CG 4.29Å
329	A	80.3	Confident	65.4	Low	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	123.2	-179.3	0	0	0	0	0	111.6	L39 Y41 W69 F107 I723	L39-A329 CarbonylContact O-C 3.56Å; L39-A329 WeakPolarHBondContact O-CA 3.17Å; Y41-A329 HydrophobicContact CD2-CB 3.85Å; Y41-A329 HydrophobicContact CE2-CB 3.74Å; W69-A329 HydrophobicContact CH2-CB 3.84Å; W69-A329 HydrophobicContact CZ2-CB 4.13Å; F107-A329 HydrophobicContact CD1-CB 3.66Å; F107-A329 HydrophobicContact CD2-CB 4.32Å; F107-A329 HydrophobicContact CE1-CB 3.6Å; F107-A329 HydrophobicContact CE2-CB 4.25Å; F107-A329 HydrophobicContact CG-CB 4.05Å; F107-A329 HydrophobicContact CZ-CB 3.91Å; A329-I723 HydrophobicContact CB-CB 4.41Å; A329-I723 PolarHBondContact N-O 2.9Å; A329-I723 PolarHBondContact O-N 2.99Å
330	V	80.7	Confident	67.7	Low	12 Å²	12	50.9 Å²	50.9	7%	0.073	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	89.1	177.8	-175.7	0	0	0	0	109.6	K38 L39 H40 Y41 T332 K721 T722	K38-V330 HydrophobicContact CB-CG2 4.16Å; K38-V330 HydrophobicContact CG-CG2 4.09Å; L39-V330 PolarHBondContact O-N 3.33Å; H40-V330 WeakPolarHBondContact CA-O 3.47Å; H40-V330 WeakPolarHBondContact ND1-CB 3.24Å; H40-V330 WeakPolarHBondContact ND1-CG1 3.46Å; Y41-V330 PolarHBondContact N-O 2.93Å; V330-T332 PolarHBondContact O-N 3.3Å; V330-K721 CarbonylContact C-O 3.31Å; V330-K721 WeakPolarHBondContact CA-O 3.44Å; V330-T722 HydrophobicContact CG2-CG2 4.37Å
331	V	79	Confident	70	Confident	14 Å²	14	46.4 Å²	46.4	9%	0.085	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	105	179.5	-177.4	0	0	0	0	110.2	Y41 P43 Y58 W69 S720 K721 I723	Y41-V331 CarbonylContact O-C 3.53Å; Y41-V331 WeakPolarHBondContact O-CA 3.5Å; P43-V331 HydrophobicContact CG-CG1 4.48Å; Y58-V331 HydrophobicContact CE1-CG1 3.81Å; Y58-V331 HydrophobicContact CE1-CG2 4.49Å; W69-V331 HydrophobicContact CH2-CG2 3.4Å; W69-V331 HydrophobicContact CZ2-CG2 4.49Å; W69-V331 HydrophobicContact CZ3-CG2 3.52Å; V331-S720 WeakPolarHBondContact O-CA 3.28Å; V331-K721 PolarHBondContact N-O 2.89Å; V331-K721 PolarHBondContact O-N 3.13Å; V331-I723 HydrophobicContact CG2-CD1 3.8Å
332	T	74.6	Confident	72.5	Confident	8 Å²	8	42 Å²	42	5%	0.049	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	107.4	177.5	-54	0	0	0	0	110.1	Y41 I42 V330 R334 V717 N719 S720	Y41-T332 PolarHBondContact O-N 3.49Å; I42-T332 WeakPolarHBondContact CG1-O 3.3Å; V330-T332 PolarHBondContact O-N 3.3Å; T332-R334 HydrophobicContact CG2-CG 3.85Å; T332-R334 PolarHBondContact O-N 3.23Å; T332-V717 HydrophobicContact CG2-CG1 3.66Å; T332-V717 HydrophobicContact CG2-CG2 4.25Å; T332-N719 CarbonylContact C-O 3.59Å; T332-N719 WeakPolarHBondContact CA-O 3.45Å; T332-S720 PolarHBondContact OG1-OG 2.94Å
333	T	68.3	Low	74.7	Confident	49 Å²	49	34.8 Å²	34.8	30%	0.301	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	128.1	171.6	57.5	0	0	0	0	109.2	P43 L718 N719	P43-T333 HydrophobicContact CG-CG2 3.73Å; T333-L718 PolarHBondContact O-N 3.09Å; T333-N719 PolarHBondContact N-O 3.42Å; T333-N719 PolarHBondContact O-N 2.96Å; T333-N719 WeakPolarHBondContact OG1-CB 3.47Å; T333-N719 PolarHBondContact OG1-N 3.46Å; T333-N719 PolarHBondContact OG1-O 2.96Å
334	R	70.2	Confident	76.9	Confident	78 Å²	78	31.2 Å²	31.2	29%	0.294	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	128.9	178.5	-53.1	-170.4	-172.4	179.3	-0.1	109.7	I42 T332 E715 K716 V717	I42-R334 HydrophobicContact CD1-CG 4.32Å; I42-R334 HydrophobicContact CG1-CG 4.34Å; I42-R334 HydrophobicContact CG2-CB 4.2Å; I42-R334 HydrophobicContact CG2-CG 4.34Å; T332-R334 HydrophobicContact CG2-CG 3.85Å; T332-R334 PolarHBondContact O-N 3.23Å; R334-E715 HydrophobicContact CB-CG 4.2Å; R334-E715 WeakPolarHBondContact CD-OE1 3.32Å; R334-E715 IonicContact CZ-OE1 2.64Å; R334-E715 IonicContact NE-OE1 3.06Å; R334-E715 IonicContact NH1-OE1 2.67Å; R334-E715 PolarHBondContact NH1-OE1 2.7Å; R334-K716 CarbonylContact C-O 3.57Å; R334-K716 WeakPolarHBondContact CA-O 3.06Å; R334-V717 HydrophobicContact CG-CG2 4.14Å
335	S	75.9	Confident	79.1	Confident	24 Å²	24	27.4 Å²	27.4	17%	0.168	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	138.2	164.5	63	0	0	0	0	109.4	E337 E715 K716	S335-E337 PolarHBondContact OG-OE1 2.74Å; S335-E715 WeakPolarHBondContact O-CA 3.49Å; S335-K716 PolarHBondContact N-O 3.27Å; S335-K716 PolarHBondContact O-N 2.96Å
336	R	84.1	Confident	80.9	Confident	31 Å²	31	26.5 Å²	26.5	12%	0.117	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128.5	164.5	-73.6	-170.9	169.2	-172.9	-7	108.6	P360 I713 M714 E715	R336-P360 HydrophobicContact CB-CG 3.79Å; R336-P360 WeakPolarHBondContact CD-O 3.48Å; R336-P360 PolarHBondContact NH1-O 3.03Å; R336-I713 HydrophobicContact CB-CG2 4.25Å; R336-I713 HydrophobicContact CG-CG2 4.43Å; R336-M714 CarbonylContact C-O 3.51Å; R336-M714 WeakPolarHBondContact CA-O 3.33Å; R336-E715 HydrophobicContact CG-CB 4.09Å; R336-E715 HydrophobicContact CG-CG 3.93Å; R336-E715 IonicContact CZ-OE2 3.6Å; R336-E715 IonicContact NE-OE2 2.91Å; R336-E715 PolarHBondContact NE-OE2 3.2Å; R336-E715 IonicContact NH2-OE2 2.68Å; R336-E715 PolarHBondContact NH2-OE2 3.45Å
337	E	86.9	Confident	82.2	Confident	35 Å²	35	26.6 Å²	26.6	16%	0.164	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126.9	-167.9	-52.2	-169.7	165.2	0	0	108.5	S335 Y339 K350 M714	S335-E337 PolarHBondContact OG-OE1 2.74Å; E337-Y339 HydrophobicContact CB-CD2 4.33Å; E337-Y339 HydrophobicContact CB-CE2 3.89Å; E337-K350 IonicContact OE1-NZ 3.64Å; E337-K350 PolarHBondContact OE1-NZ 2.71Å; E337-K350 VanDerWaalsContact OE2-CE 3.28Å; E337-K350 WeakPolarHBondContact OE2-CE 3.41Å; E337-K350 IonicContact OE2-NZ 3.45Å; E337-K350 PolarHBondContact OE2-NZ 2.96Å; E337-M714 PolarHBondContact N-O 2.94Å; E337-M714 PolarHBondContact O-N 3.36Å
338	V	91.5	Very high	83.1	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	129.5	175.3	-176.6	0	0	0	0	108.7	L351 F354 P360 V372 I711 I712	V338-L351 HydrophobicContact CB-CB 4.15Å; V338-L351 HydrophobicContact CB-CD2 4.37Å; V338-L351 HydrophobicContact CG1-CD2 4.11Å; V338-L351 WeakPolarHBondContact O-CB 3.44Å; V338-L351 PolarHBondContact O-N 3.4Å; V338-F354 HydrophobicContact CB-CD2 4.04Å; V338-F354 HydrophobicContact CB-CE2 4.26Å; V338-F354 HydrophobicContact CG2-CD2 3.58Å; V338-F354 HydrophobicContact CG2-CE2 3.84Å; V338-F354 HydrophobicContact CG2-CG 4.35Å; V338-P360 HydrophobicContact CG2-CB 3.65Å; V338-P360 HydrophobicContact CG2-CG 3.72Å; V338-V372 HydrophobicContact CG2-CG2 4.24Å; V338-I711 HydrophobicContact CG1-CD1 3.81Å; V338-I711 HydrophobicContact CG1-CG1 3.73Å; V338-I712 WeakPolarHBondContact CA-O 2.95Å
339	Y	91.5	Very high	83.6	Confident	38 Å²	38	30.4 Å²	30.4	15%	0.149	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	143.5	169.9	-77	-102.7	0	0	0	109.4	E337 P348 Q349 K350 I711 I712 M714	E337-Y339 HydrophobicContact CB-CD2 4.33Å; E337-Y339 HydrophobicContact CB-CE2 3.89Å; Y339-P348 HydrophobicContact CD1-CB 4.4Å; Y339-Q349 WeakPolarHBondContact CA-O 3.13Å; Y339-K350 HydrophobicContact CD1-CB 4.18Å; Y339-K350 HydrophobicContact CE1-CB 3.72Å; Y339-K350 HydrophobicContact CE1-CG 4.49Å; Y339-K350 HydrophobicContact CE2-CB 4.45Å; Y339-K350 HydrophobicContact CE2-CG 4.4Å; Y339-I711 WeakPolarHBondContact O-CA 3.3Å; Y339-I712 PolarHBondContact N-O 2.93Å; Y339-I712 PolarHBondContact O-N 3.4Å; Y339-M714 HydrophobicContact CD1-CE 4.44Å; Y339-M714 HydrophobicContact CD2-CB 4.27Å; Y339-M714 HydrophobicContact CD2-CE 3.99Å; Y339-M714 HydrophobicContact CD2-CG 3.98Å; Y339-M714 HydrophobicContact CD2-SD 3.74Å; Y339-M714 HydrophobicContact CE2-CB 4.4Å; Y339-M714 HydrophobicContact CE2-CG 4.41Å; Y339-M714 HydrophobicContact CE2-SD 3.87Å; Y339-M714 HydrophobicContact CG-CE 3.92Å; Y339-M714 HydrophobicContact CG-SD 4.26Å
340	Y	92.8	Very high	84	Confident	28 Å²	28	34.3 Å²	34.3	11%	0.11	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	152.7	178.4	83.6	-67	0	0	0	113.1	K345 Q349 L351 F370 T710	Y340-K345 HydrophobicContact CE2-CD 4.01Å; Y340-K345 VanDerWaalsContact CE2-NZ 3.28Å; Y340-K345 PolarHBondContact OH-NZ 3.29Å; Y340-Q349 HydrophobicContact CD1-CB 4.21Å; Y340-Q349 HydrophobicContact CE1-CB 3.93Å; Y340-Q349 PolarHBondContact N-O 3.41Å; Y340-Q349 PolarHBondContact O-N 3.44Å; Y340-L351 HydrophobicContact CD1-CD2 4.48Å; Y340-F370 HydrophobicContact CD2-CD2 4.43Å; Y340-F370 HydrophobicContact CD2-CE1 4.33Å; Y340-F370 AromaticContact CD2-CE2 3.69Å; Y340-F370 HydrophobicContact CD2-CE2 3.69Å; Y340-F370 AromaticContact CD2-CZ 3.63Å; Y340-F370 HydrophobicContact CD2-CZ 3.63Å; Y340-F370 AromaticContact CE2-CE2 3.98Å; Y340-F370 HydrophobicContact CE2-CE2 3.98Å; Y340-F370 HydrophobicContact CE2-CZ 4.33Å; Y340-T710 CarbonylContact C-O 3.03Å; Y340-T710 VanDerWaalsContact CA-O 3.23Å; Y340-T710 WeakPolarHBondContact CA-O 3.46Å; Y340-T710 WeakPolarHBondContact CB-O 3.41Å
341	W	91.8	Very high	84.4	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	-174.2	-176.8	69.2	92.4	0	0	0	113	P348 I654 R672 I693 H709 T710 I712	W341-P348 HydrophobicContact CB-CB 4.14Å; W341-P348 HydrophobicContact CB-CG 4.02Å; W341-P348 HydrophobicContact CD2-CB 4.01Å; W341-P348 HydrophobicContact CD2-CG 3.62Å; W341-P348 HydrophobicContact CE3-CB 3.48Å; W341-P348 VanDerWaalsContact CE3-CB 3.48Å; W341-P348 HydrophobicContact CE3-CG 3.55Å; W341-P348 HydrophobicContact CG-CB 4.36Å; W341-P348 HydrophobicContact CG-CG 3.92Å; W341-P348 HydrophobicContact CZ3-CB 4.05Å; W341-P348 HydrophobicContact CZ3-CG 4.06Å; W341-I654 HydrophobicContact CZ2-CD1 4Å; W341-I654 HydrophobicContact CZ2-CG1 4.24Å; W341-I654 HydrophobicContact CZ2-CG2 4.35Å; W341-R672 PolarHBondContact NE1-O 2.85Å; W341-I693 HydrophobicContact CH2-CD1 3.9Å; W341-I693 HydrophobicContact CZ2-CD1 3.72Å; W341-H709 WeakPolarHBondContact O-CA 3.45Å; W341-T710 HydrophobicContact CD2-CG2 4.11Å; W341-T710 VanDerWaalsContact CE2-CB 3.45Å; W341-T710 HydrophobicContact CE3-CG2 4.09Å; W341-T710 HydrophobicContact CH2-CG2 3.49Å; W341-T710 VanDerWaalsContact CH2-CG2 3.49Å; W341-T710 HydrophobicContact CZ2-CG2 3.41Å; W341-T710 VanDerWaalsContact CZ2-CG2 3.41Å; W341-T710 HydrophobicContact CZ3-CG2 3.82Å; W341-T710 PolarHBondContact N-O 2.64Å; W341-T710 PolarHBondContact O-N 2.86Å; W341-I712 HydrophobicContact CH2-CG2 4.3Å; W341-I712 HydrophobicContact CZ3-CB 4.39Å; W341-I712 HydrophobicContact CZ3-CG2 3.7Å
342	G	87.9	Confident	84.5	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.6	-178.1	-167.4	0	0	0	0	0	111.2	G344 K345 N670 W708	G342-G344 VanDerWaalsContact C-N 3.34Å; G342-G344 PolarHBondContact O-N 3.04Å; G342-K345 PolarHBondContact N-O 3.29Å; G342-K345 VanDerWaalsContact N-O 3.15Å; G342-K345 WeakPolarHBondContact O-CB 2.93Å; G342-K345 PolarHBondContact O-N 3Å; G342-K345 VanDerWaalsContact O-N 3.12Å; G342-N670 CarbonylContact C-O 3.58Å; G342-W708 VanDerWaalsContact CA-O 3.23Å; G342-W708 WeakPolarHBondContact CA-O 3.15Å
343	G	83.1	Confident	84.8	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	52.8	-173.1	0	0	0	0	0	111.7	K345 Q386 N670	G343-K345 PolarHBondContact O-N 3.03Å; G343-Q386 WeakPolarHBondContact O-CG 3.2Å; G343-Q386 PolarHBondContact O-NE2 3.22Å; G343-Q386 VanDerWaalsContact O-NE2 3.08Å; G343-Q386 PolarHBondContact O-OE1 3.42Å; G343-Q386 VanDerWaalsContact O-OE1 3.12Å; G343-N670 PolarHBondContact N-O 2.85Å
344	G	82.8	Confident	85.4	Confident	23 Å²	23	38.9 Å²	38.9	24%	0.237	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	-5.8	-179.2	0	0	0	0	0	115.6	G342 F346 N670	G342-G344 VanDerWaalsContact C-N 3.34Å; G342-G344 PolarHBondContact O-N 3.04Å; G344-F346 WeakPolarHBondContact O-CD2 3.25Å; G344-F346 WeakPolarHBondContact O-CE2 3.44Å; G344-F346 PolarHBondContact O-N 2.92Å; G344-N670 PolarHBondContact N-O 2.81Å
345	K	86.4	Confident	85.2	Confident	43 Å²	43	41 Å²	41	19%	0.187	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	99.6	174.5	-65.2	158.3	-168.8	165.2	0	109.6	Y340 G342 G343 D384	Y340-K345 HydrophobicContact CE2-CD 4.01Å; Y340-K345 VanDerWaalsContact CE2-NZ 3.28Å; Y340-K345 PolarHBondContact OH-NZ 3.29Å; G342-K345 PolarHBondContact N-O 3.29Å; G342-K345 VanDerWaalsContact N-O 3.15Å; G342-K345 WeakPolarHBondContact O-CB 2.93Å; G342-K345 PolarHBondContact O-N 3Å; G342-K345 VanDerWaalsContact O-N 3.12Å; G343-K345 PolarHBondContact O-N 3.03Å; K345-D384 IonicContact NZ-OD1 3.56Å; K345-D384 PolarHBondContact NZ-OD1 3.21Å; K345-D384 IonicContact NZ-OD2 2.83Å; K345-D384 PolarHBondContact NZ-OD2 3.37Å
346	F	84.4	Confident	84.1	Confident	88 Å²	88	44.6 Å²	44.6	39%	0.386	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-24.3	-177.3	-69.2	-92.1	0	0	0	114.3	G344 G674 M675	G344-F346 WeakPolarHBondContact O-CD2 3.25Å; G344-F346 WeakPolarHBondContact O-CE2 3.44Å; G344-F346 PolarHBondContact O-N 2.92Å; F346-G674 CarbonylContact O-C 3.54Å; F346-G674 VanDerWaalsContact O-CA 3.29Å; F346-G674 WeakPolarHBondContact O-CA 3.49Å; F346-M675 CarbonylContact O-C 3.34Å; F346-M675 PolarHBondContact O-N 3.21Å
347	T	86.2	Confident	82.6	Confident	66 Å²	66	43.2 Å²	43.2	41%	0.405	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	140	173.7	51.2	0	0	0	0	109.7	Q349 P676	T347-Q349 PolarHBondContact O-N 2.92Å; T347-Q349 PolarHBondContact O-NE2 2.88Å; T347-Q349 PolarHBondContact OG1-NE2 3.08Å; T347-P676 HydrophobicContact CG2-CB 4Å
348	P	89.2	Confident	81.9	Confident	18 Å²	18	42.6 Å²	42.6	12%	0.117	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	129.6	-176.9	-25.7	38.7	0	0	0	114.1	Y339 W341 G674 F694	Y339-P348 HydrophobicContact CD1-CB 4.4Å; W341-P348 HydrophobicContact CB-CB 4.14Å; W341-P348 HydrophobicContact CB-CG 4.02Å; W341-P348 HydrophobicContact CD2-CB 4.01Å; W341-P348 HydrophobicContact CD2-CG 3.62Å; W341-P348 HydrophobicContact CE3-CB 3.48Å; W341-P348 VanDerWaalsContact CE3-CB 3.48Å; W341-P348 HydrophobicContact CE3-CG 3.55Å; W341-P348 HydrophobicContact CG-CB 4.36Å; W341-P348 HydrophobicContact CG-CG 3.92Å; W341-P348 HydrophobicContact CZ3-CB 4.05Å; W341-P348 HydrophobicContact CZ3-CG 4.06Å; P348-G674 WeakPolarHBondContact CD-O 3.48Å; P348-F694 HydrophobicContact CB-CE2 3.63Å; P348-F694 HydrophobicContact CB-CZ 3.68Å; P348-F694 HydrophobicContact CG-CE2 3.5Å; P348-F694 HydrophobicContact CG-CZ 3.7Å
349	Q	88.1	Confident	81.5	Confident	83 Å²	83	44 Å²	44	39%	0.388	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	125.4	-174.2	-57.3	-57.9	-57.9	0	0	109.5	Y339 Y340 T347	Y339-Q349 WeakPolarHBondContact CA-O 3.13Å; Y340-Q349 HydrophobicContact CD1-CB 4.21Å; Y340-Q349 HydrophobicContact CE1-CB 3.93Å; Y340-Q349 PolarHBondContact N-O 3.41Å; Y340-Q349 PolarHBondContact O-N 3.44Å; T347-Q349 PolarHBondContact O-N 2.92Å; T347-Q349 PolarHBondContact O-NE2 2.88Å; T347-Q349 PolarHBondContact OG1-NE2 3.08Å
350	K	88.9	Confident	81.4	Confident	83 Å²	83	42.1 Å²	42.1	36%	0.361	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	143.2	168.4	178.8	169	174.5	160.8	0	109.4	E337 Y339	E337-K350 IonicContact OE1-NZ 3.64Å; E337-K350 PolarHBondContact OE1-NZ 2.71Å; E337-K350 VanDerWaalsContact OE2-CE 3.28Å; E337-K350 WeakPolarHBondContact OE2-CE 3.41Å; E337-K350 IonicContact OE2-NZ 3.45Å; E337-K350 PolarHBondContact OE2-NZ 2.96Å; Y339-K350 HydrophobicContact CD1-CB 4.18Å; Y339-K350 HydrophobicContact CE1-CB 3.72Å; Y339-K350 HydrophobicContact CE1-CG 4.49Å; Y339-K350 HydrophobicContact CE2-CB 4.45Å; Y339-K350 HydrophobicContact CE2-CG 4.4Å
351	L	88.3	Confident	81.2	Confident	20 Å²	20	43.3 Å²	43.3	11%	0.105	24%	0.242	C	C	.	.			trans	-113	95.8	-177	-170.5	46.5	0	0	0	110.9	V338 Y340 S353 F354 W382 P406	V338-L351 HydrophobicContact CB-CB 4.15Å; V338-L351 HydrophobicContact CB-CD2 4.37Å; V338-L351 HydrophobicContact CG1-CD2 4.11Å; V338-L351 WeakPolarHBondContact O-CB 3.44Å; V338-L351 PolarHBondContact O-N 3.4Å; Y340-L351 HydrophobicContact CD1-CD2 4.48Å; L351-S353 PolarHBondContact O-N 3.41Å; L351-S353 VanDerWaalsContact O-N 3.14Å; L351-F354 HydrophobicContact CD2-CD2 4.35Å; L351-F354 HydrophobicContact CD2-CE2 3.78Å; L351-F354 HydrophobicContact CG-CD2 4.15Å; L351-F354 HydrophobicContact CG-CE2 4Å; L351-W382 HydrophobicContact CD2-CH2 3.66Å; L351-W382 HydrophobicContact CD2-CZ2 3.39Å; L351-P406 HydrophobicContact CD1-CG 3.96Å; L351-P406 HydrophobicContact CD2-CG 3.69Å; L351-P406 HydrophobicContact CG-CG 3.97Å
352	D	82.7	Confident	81.3	Confident	90 Å²	90	45.5 Å²	45.5	48%	0.481	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-3.3	-171.8	-84.6	-72.7	0	0	0	115.9	F354 K355	D352-F354 VanDerWaalsContact C-N 3.3Å; D352-F354 PolarHBondContact O-N 2.89Å; D352-K355 WeakPolarHBondContact O-CD 3.41Å; D352-K355 WeakPolarHBondContact O-CE 3.42Å; D352-K355 PolarHBondContact O-NZ 3.33Å; D352-K355 WeakPolarHBondContact OD1-CE 3.41Å; D352-K355 IonicContact OD1-NZ 2.84Å; D352-K355 PolarHBondContact OD1-NZ 3.05Å
353	S	81.1	Confident	81.7	Confident	54 Å²	54	45.7 Å²	45.7	38%	0.378	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-25.2	179.1	-52.4	0	0	0	0	114.1	L351 K355	L351-S353 PolarHBondContact O-N 3.41Å; L351-S353 VanDerWaalsContact O-N 3.14Å; S353-K355 PolarHBondContact O-N 3.49Å
354	F	79.2	Confident	82.4	Confident	14 Å²	14	46.5 Å²	46.5	6%	0.061	26%	0.259	C	S	.	.			trans	-97.1	88.2	-174.3	-61.8	-66.6	0	0	0	111.1	V338 L351 D352 S358 V372 Y380 W382 P406	V338-F354 HydrophobicContact CB-CD2 4.04Å; V338-F354 HydrophobicContact CB-CE2 4.26Å; V338-F354 HydrophobicContact CG2-CD2 3.58Å; V338-F354 HydrophobicContact CG2-CE2 3.84Å; V338-F354 HydrophobicContact CG2-CG 4.35Å; L351-F354 HydrophobicContact CD2-CD2 4.35Å; L351-F354 HydrophobicContact CD2-CE2 3.78Å; L351-F354 HydrophobicContact CG-CD2 4.15Å; L351-F354 HydrophobicContact CG-CE2 4Å; D352-F354 VanDerWaalsContact C-N 3.3Å; D352-F354 PolarHBondContact O-N 2.89Å; F354-S358 WeakPolarHBondContact CB-O 3.47Å; F354-S358 WeakPolarHBondContact CD1-O 3.5Å; F354-V372 HydrophobicContact CD1-CG1 4.39Å; F354-V372 HydrophobicContact CE1-CB 4.19Å; F354-V372 HydrophobicContact CE1-CG1 3.74Å; F354-V372 HydrophobicContact CE2-CB 4.38Å; F354-V372 HydrophobicContact CE2-CG1 4.29Å; F354-V372 HydrophobicContact CE2-CG2 3.97Å; F354-V372 HydrophobicContact CZ-CB 3.71Å; F354-V372 HydrophobicContact CZ-CG1 3.67Å; F354-V372 HydrophobicContact CZ-CG2 3.77Å; F354-Y380 HydrophobicContact CE1-CD1 4.09Å; F354-Y380 HydrophobicContact CE1-CD2 4.15Å; F354-Y380 AromaticContact CE1-CG 3.86Å; F354-Y380 HydrophobicContact CE1-CG 3.86Å; F354-Y380 HydrophobicContact CZ-CG 4.38Å; F354-W382 HydrophobicContact CE2-CH2 4.4Å; F354-W382 HydrophobicContact CE2-CZ3 4.49Å; F354-W382 HydrophobicContact CZ-CZ3 4.25Å; F354-P406 HydrophobicContact CE1-CB 4.4Å; F354-P406 HydrophobicContact CE2-CB 4.23Å; F354-P406 HydrophobicContact CE2-CG 3.82Å; F354-P406 HydrophobicContact CZ-CB 3.71Å; F354-P406 HydrophobicContact CZ-CG 3.82Å
355	K	65.9	Low	82.9	Confident	123 Å²	123	45.5 Å²	45.5	54%	0.535	25%	0.248	S	C	.	.			trans	-138.9	157.7	-178.1	-69	175	-177.5	165	0	110.9	D352 S353 G357 S358	D352-K355 WeakPolarHBondContact O-CD 3.41Å; D352-K355 WeakPolarHBondContact O-CE 3.42Å; D352-K355 PolarHBondContact O-NZ 3.33Å; D352-K355 WeakPolarHBondContact OD1-CE 3.41Å; D352-K355 IonicContact OD1-NZ 2.84Å; D352-K355 PolarHBondContact OD1-NZ 3.05Å; S353-K355 PolarHBondContact O-N 3.49Å; K355-G357 PolarHBondContact O-N 3.39Å; K355-S358 PolarHBondContact O-N 3.37Å
356	A	53	Low	83.2	Confident	99 Å²	99	43.4 Å²	43.4	82%	0.818	24%	0.239	S	C	*	.	S	Bend	trans	44.6	50.9	165.8	0	0	0	0	0	116.1
357	G	53.5	Low	83.3	Confident	3 Å²	3	41.3 Å²	41.3	3%	0.031	23%	0.23	C	C	.	.	S	Bend	trans	102.5	26.1	176.4	0	0	0	0	0	116.8	R45 K355 E376	R45-G357 PolarHBondContact NH1-O 2.96Å; K355-G357 PolarHBondContact O-N 3.39Å; G357-E376 VanDerWaalsContact CA-OE1 3.27Å; G357-E376 WeakPolarHBondContact CA-OE1 3.41Å; G357-E376 WeakPolarHBondContact O-CG 3.38Å; G357-E376 VanDerWaalsContact O-OE1 3.11Å
358	S	71.9	Confident	83.4	Confident	22 Å²	22	39.5 Å²	39.5	15%	0.154	22%	0.218	C	C	.	.			trans	-133.6	54	160.9	-55.9	0	0	0	0	108.7	F354 K355 E376 Y380	F354-S358 WeakPolarHBondContact CB-O 3.47Å; F354-S358 WeakPolarHBondContact CD1-O 3.5Å; K355-S358 PolarHBondContact O-N 3.37Å; S358-E376 WeakPolarHBondContact CA-OE2 3.4Å; S358-Y380 PolarHBondContact OG-OH 2.78Å
359	S	83.3	Confident	83.6	Confident	28 Å²	28	38.6 Å²	38.6	20%	0.196	21%	0.213	C	C	.	.			trans	-78	129.7	-170.6	-178.2	0	0	0	0	110.5	T374 V375 E376	S359-T374 CarbonylContact O-C 3.57Å; S359-T374 WeakPolarHBondContact O-CA 3.44Å; S359-T374 WeakPolarHBondContact O-CB 3.49Å; S359-V375 WeakPolarHBondContact O-CG2 3.16Å; S359-V375 PolarHBondContact O-N 3.38Å; S359-E376 PolarHBondContact N-OE2 2.88Å; S359-E376 VanDerWaalsContact N-OE2 3.12Å
360	P	89.4	Confident	83.9	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	139.3	-173	30.9	-38.2	0	0	0	112.2	R336 V338 V372 I713	R336-P360 HydrophobicContact CB-CG 3.79Å; R336-P360 WeakPolarHBondContact CD-O 3.48Å; R336-P360 PolarHBondContact NH1-O 3.03Å; V338-P360 HydrophobicContact CG2-CB 3.65Å; V338-P360 HydrophobicContact CG2-CG 3.72Å; P360-V372 HydrophobicContact CB-CG1 3.95Å; P360-I713 HydrophobicContact CB-CD1 3.93Å; P360-I713 HydrophobicContact CB-CG1 4.2Å; P360-I713 HydrophobicContact CG-CG2 4.11Å
361	Q	88.8	Confident	84.3	Confident	53 Å²	53	30.7 Å²	30.7	25%	0.248	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-41.4	176.2	-174.2	161.4	44.5	0	0	113	V373 V375 I713	Q361-V373 PolarHBondContact N-O 2.8Å; Q361-V375 HydrophobicContact CB-CG2 4.26Å; Q361-I713 VanDerWaalsContact C-CD1 3.44Å
362	H	94.1	Very high	84.7	Confident	46 Å²	46	29.8 Å²	29.8	21%	0.213	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	144.1	-174.1	179.1	68	0	0	0	110.1	V373 V420 D702	H362-V373 HydrophobicContact CB-CB 4.31Å; H362-V373 PolarHBondContact N-O 2.67Å; H362-V373 PolarHBondContact O-N 2.95Å; H362-V420 PolarHBondContact NE2-O 2.87Å; H362-D702 IonicContact CE1-OD2 2.67Å; H362-D702 IonicContact CG-OD2 2.69Å; H362-D702 IonicContact ND1-OD2 2.7Å; H362-D702 PolarHBondContact ND1-OD2 2.84Å; H362-D702 VanDerWaalsContact ND1-OD2 3.08Å
363	V	96.3	Very high	85.3	Confident	3 Å²	3	25.5 Å²	25.5	2%	0.018	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	143.8	-177.1	-77.4	0	0	0	0	112.2	V372 D702 I711 I713	V363-V372 HydrophobicContact CG1-CG2 3.93Å; V363-D702 HydrophobicContact CG2-CB 4.03Å; V363-D702 VanDerWaalsContact CG2-OD2 3.3Å; V363-D702 WeakPolarHBondContact CG2-OD2 3.41Å; V363-D702 PolarHBondContact N-OD2 3.43Å; V363-I711 HydrophobicContact CB-CD1 4.16Å; V363-I711 HydrophobicContact CB-CG1 4.08Å; V363-I711 HydrophobicContact CB-CG2 4Å; V363-I711 HydrophobicContact CG1-CD1 3.83Å; V363-I711 HydrophobicContact CG1-CG1 3.85Å; V363-I711 HydrophobicContact CG2-CG2 4.36Å; V363-I713 HydrophobicContact CB-CG1 4.47Å; V363-I713 HydrophobicContact CG1-CD1 4.02Å; V363-I713 HydrophobicContact CG1-CG1 3.6Å; V363-I713 HydrophobicContact CG2-CD1 4.49Å; V363-I713 HydrophobicContact CG2-CG1 4.1Å
364	C	96.6	Very high	85.7	Confident	17 Å²	17	22.9 Å²	22.9	12%	0.115	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	142.9	168.9	-157.8	0	0	0	0	111.6	F370 A371 V420 C422	C364-F370 WeakPolarHBondContact O-CA 3.45Å; C364-A371 PolarHBondContact N-O 3.06Å; C364-A371 PolarHBondContact O-N 3.48Å; C364-V420 HydrophobicContact CB-CG1 3.91Å; C364-C422 HydrophobicContact CB-CB 4.45Å; C364-C422 PolarHBondContact SG-N 3.25Å
365	A	94.8	Very high	85.9	Confident	2 Å²	2	22.5 Å²	22.5	2%	0.017	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	132.7	165.5	0	0	0	0	0	109.6	F370 S704 R706 H709 I711	A365-F370 HydrophobicContact CB-CD1 4.02Å; A365-F370 HydrophobicContact CB-CE1 4.05Å; A365-S704 PolarHBondContact N-OG 2.86Å; A365-S704 VanDerWaalsContact N-OG 3.1Å; A365-R706 HydrophobicContact CB-CB 3.95Å; A365-R706 WeakPolarHBondContact O-CB 3.2Å; A365-H709 HydrophobicContact CB-CB 4.47Å; A365-I711 HydrophobicContact CB-CG2 4.03Å
366	G	91.5	Very high	86.5	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.109	C	C	.	.			trans	-91.4	-170.4	158	0	0	0	0	0	110.8	H369 G423	G366-H369 PolarHBondContact N-O 2.94Å; G366-G423 VanDerWaalsContact CA-O 3.28Å; G366-G423 WeakPolarHBondContact CA-O 3.46Å
367	E	87.4	Confident	88.1	Confident	43 Å²	43	14.7 Å²	14.7	20%	0.201	8%	0.078	C	C	.	.	S	Bend	trans	-68.9	-37.2	-179.1	-163.9	77.5	163.3	0	0	112	A424 K597 G707 H709	E367-A424 HydrophobicContact CB-CB 4.38Å; E367-K597 IonicContact OE1-NZ 3.15Å; E367-K597 PolarHBondContact OE1-NZ 3.29Å; E367-G707 WeakPolarHBondContact OE2-CA 3.33Å; E367-G707 PolarHBondContact OE2-N 2.88Å; E367-H709 PolarHBondContact O-CD2 2.99Å
368	N	87.8	Confident	89.9	Confident	28 Å²	28	16.4 Å²	16.4	15%	0.15	9%	0.085	C	C	.	.	S	Bend	trans	-123.7	1	-176.9	-59.3	-60.9	0	0	0	114.5	D384 M391	N368-D384 PolarHBondContact O-N 3.31Å; N368-M391 HydrophobicContact CB-CE 4.41Å
369	H	92.8	Very high	91	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	165.7	-169.4	72.7	-85.8	0	0	0	113.1	G366 W382 Q394 L395 C422 A424 T427	G366-H369 PolarHBondContact N-O 2.94Å; H369-W382 CarbonylContact C-O 3.12Å; H369-W382 WeakPolarHBondContact CA-O 3.43Å; H369-Q394 HydrophobicContact CB-CG 4.39Å; H369-L395 HydrophobicContact CB-CD2 3.79Å; H369-C422 WeakPolarHBondContact NE2-CB 3.49Å; H369-C422 PolarHBondContact NE2-SG 2.87Å; H369-A424 PolarHBondContact ND1-O 2.95Å; H369-T427 PolarHBondContact NE2-OG1 3.07Å; H369-T427 VanDerWaalsContact NE2-OG1 3.15Å
370	F	95.4	Very high	91.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	151.4	179.5	-62.1	-80	0	0	0	111.2	Y340 C364 A365 T381 W382 D384 H709 I711	Y340-F370 HydrophobicContact CD2-CD2 4.43Å; Y340-F370 HydrophobicContact CD2-CE1 4.33Å; Y340-F370 AromaticContact CD2-CE2 3.69Å; Y340-F370 HydrophobicContact CD2-CE2 3.69Å; Y340-F370 AromaticContact CD2-CZ 3.63Å; Y340-F370 HydrophobicContact CD2-CZ 3.63Å; Y340-F370 AromaticContact CE2-CE2 3.98Å; Y340-F370 HydrophobicContact CE2-CE2 3.98Å; Y340-F370 HydrophobicContact CE2-CZ 4.33Å; C364-F370 WeakPolarHBondContact O-CA 3.45Å; A365-F370 HydrophobicContact CB-CD1 4.02Å; A365-F370 HydrophobicContact CB-CE1 4.05Å; F370-T381 WeakPolarHBondContact O-CA 3.49Å; F370-W382 HydrophobicContact CB-CD2 3.84Å; F370-W382 HydrophobicContact CB-CE3 4.07Å; F370-W382 HydrophobicContact CB-CH2 3.81Å; F370-W382 HydrophobicContact CB-CZ2 3.54Å; F370-W382 HydrophobicContact CB-CZ3 4.05Å; F370-W382 AromaticContact CD2-CD1 3.97Å; F370-W382 AromaticContact CD2-CE2 3.78Å; F370-W382 HydrophobicContact CD2-CZ2 4.15Å; F370-W382 AromaticContact CD2-NE1 3.39Å; F370-W382 AromaticContact CG-CE2 3.9Å; F370-W382 AromaticContact CG-CZ2 3.89Å; F370-W382 HydrophobicContact CG-CZ2 3.89Å; F370-W382 PolarHBondContact N-O 2.78Å; F370-W382 PolarHBondContact O-N 2.63Å; F370-W382 VanDerWaalsContact O-N 3.15Å; F370-D384 HydrophobicContact CE2-CB 4.15Å; F370-H709 HydrophobicContact CE1-CB 3.83Å; F370-H709 HydrophobicContact CZ-CB 3.73Å; F370-H709 AromaticContact CZ-CG 3.57Å; F370-H709 AromaticContact CZ-ND1 3.63Å; F370-I711 HydrophobicContact CB-CD1 4.26Å; F370-I711 HydrophobicContact CD1-CB 3.87Å; F370-I711 HydrophobicContact CD1-CD1 3.9Å; F370-I711 HydrophobicContact CD1-CG1 4.44Å; F370-I711 HydrophobicContact CD1-CG2 4.02Å; F370-I711 HydrophobicContact CE1-CB 3.97Å; F370-I711 HydrophobicContact CE1-CG2 4.34Å; F370-I711 HydrophobicContact CG-CD1 4.37Å
371	A	96.9	Very high	91.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	140.8	171.4	0	0	0	0	0	111.5	C364 L379 Y380 T381 V420	C364-A371 PolarHBondContact N-O 3.06Å; C364-A371 PolarHBondContact O-N 3.48Å; A371-L379 HydrophobicContact CB-CD1 4.19Å; A371-Y380 CarbonylContact C-O 3.28Å; A371-Y380 WeakPolarHBondContact CA-O 3.39Å; A371-T381 HydrophobicContact CB-CG2 4.23Å; A371-V420 HydrophobicContact CB-CB 4.37Å; A371-V420 HydrophobicContact CB-CG1 3.7Å; A371-V420 HydrophobicContact CB-CG2 3.75Å
372	V	96.6	Very high	92.2	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	130.4	172.8	168	0	0	0	0	108.7	V338 F354 P360 V363 Y380 W382 I711	V338-V372 HydrophobicContact CG2-CG2 4.24Å; F354-V372 HydrophobicContact CD1-CG1 4.39Å; F354-V372 HydrophobicContact CE1-CB 4.19Å; F354-V372 HydrophobicContact CE1-CG1 3.74Å; F354-V372 HydrophobicContact CE2-CB 4.38Å; F354-V372 HydrophobicContact CE2-CG1 4.29Å; F354-V372 HydrophobicContact CE2-CG2 3.97Å; F354-V372 HydrophobicContact CZ-CB 3.71Å; F354-V372 HydrophobicContact CZ-CG1 3.67Å; F354-V372 HydrophobicContact CZ-CG2 3.77Å; P360-V372 HydrophobicContact CB-CG1 3.95Å; V363-V372 HydrophobicContact CG1-CG2 3.93Å; V372-Y380 PolarHBondContact N-O 2.83Å; V372-Y380 PolarHBondContact O-N 2.89Å; V372-W382 HydrophobicContact CB-CZ3 4.21Å; V372-W382 HydrophobicContact CG2-CH2 3.56Å; V372-W382 HydrophobicContact CG2-CZ3 3.63Å; V372-I711 HydrophobicContact CG2-CD1 4.14Å
373	V	94.3	Very high	92	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	131.8	165.8	177.2	0	0	0	0	108.6	Q361 H362 E378 L379 I417 V420	Q361-V373 PolarHBondContact N-O 2.8Å; H362-V373 HydrophobicContact CB-CB 4.31Å; H362-V373 PolarHBondContact N-O 2.67Å; H362-V373 PolarHBondContact O-N 2.95Å; V373-E378 WeakPolarHBondContact CA-O 3.41Å; V373-L379 HydrophobicContact CG2-CD1 3.92Å; V373-I417 HydrophobicContact CG1-CB 4.34Å; V373-I417 HydrophobicContact CG1-CG2 4.32Å; V373-I417 WeakPolarHBondContact CG1-O 3.06Å; V373-I417 HydrophobicContact CG2-CG2 3.76Å; V373-V420 HydrophobicContact CG2-CB 4Å; V373-V420 HydrophobicContact CG2-CG1 3.93Å
374	T	90.6	Very high	91.4	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	165	178.6	66	0	0	0	0	112.8	S359 E376 K377 E378 Y380	S359-T374 CarbonylContact O-C 3.57Å; S359-T374 WeakPolarHBondContact O-CA 3.44Å; S359-T374 WeakPolarHBondContact O-CB 3.49Å; T374-E376 WeakPolarHBondContact CB-OE2 3.42Å; T374-E376 PolarHBondContact O-N 3.4Å; T374-K377 WeakPolarHBondContact O-CA 3.31Å; T374-K377 PolarHBondContact O-N 2.76Å; T374-E378 PolarHBondContact N-O 2.98Å; T374-E378 WeakPolarHBondContact OG1-CB 3.12Å; T374-E378 PolarHBondContact OG1-N 3.12Å; T374-E378 VanDerWaalsContact OG1-N 3.08Å; T374-E378 PolarHBondContact OG1-O 3.37Å; T374-Y380 HydrophobicContact CG2-CD2 3.84Å; T374-Y380 HydrophobicContact CG2-CE2 3.69Å
375	V	82.2	Confident	89.9	Confident	6 Å²	6	13.1 Å²	13.1	4%	0.036	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-31.2	171.9	172.6	0	0	0	0	111	I44 L66 S359 Q361 K377	I44-V375 HydrophobicContact CD1-CG1 3.7Å; I44-V375 HydrophobicContact CG1-CG1 4.41Å; L66-V375 HydrophobicContact CD2-CG1 3.94Å; S359-V375 WeakPolarHBondContact O-CG2 3.16Å; S359-V375 PolarHBondContact O-N 3.38Å; Q361-V375 HydrophobicContact CB-CG2 4.26Å; V375-K377 PolarHBondContact O-N 3.18Å
376	E	78.6	Confident	88.4	Confident	19 Å²	19	17.2 Å²	17.2	9%	0.089	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-2.4	173.3	-62.1	76	-168.3	0	0	113.6	I44 K175 G357 S358 S359 T374 E378	I44-E376 WeakPolarHBondContact CG2-OE1 3.39Å; K175-E376 PolarHBondContact NZ-O 2.76Å; G357-E376 VanDerWaalsContact CA-OE1 3.27Å; G357-E376 WeakPolarHBondContact CA-OE1 3.41Å; G357-E376 WeakPolarHBondContact O-CG 3.38Å; G357-E376 VanDerWaalsContact O-OE1 3.11Å; S358-E376 WeakPolarHBondContact CA-OE2 3.4Å; S359-E376 PolarHBondContact N-OE2 2.88Å; S359-E376 VanDerWaalsContact N-OE2 3.12Å; T374-E376 WeakPolarHBondContact CB-OE2 3.42Å; T374-E376 PolarHBondContact O-N 3.4Å; E376-E378 HydrophobicContact CB-CG 4.36Å
377	K	87.1	Confident	86.7	Confident	39 Å²	39	21 Å²	21	17%	0.17	12%	0.122	C	C	.	.			trans	67.1	33.7	179.7	-51.1	-72.7	-172.8	145.4	0	113.3	T374 V375 A416 I417 D432	T374-K377 WeakPolarHBondContact O-CA 3.31Å; T374-K377 PolarHBondContact O-N 2.76Å; V375-K377 PolarHBondContact O-N 3.18Å; K377-A416 HydrophobicContact CB-CB 3.87Å; K377-A416 HydrophobicContact CG-CB 4.26Å; K377-I417 WeakPolarHBondContact CD-O 3.35Å; K377-I417 PolarHBondContact O-N 3.43Å; K377-D432 VanDerWaalsContact CD-OD2 3.23Å; K377-D432 WeakPolarHBondContact CD-OD2 3.41Å; K377-D432 WeakPolarHBondContact CE-OD2 3.31Å; K377-D432 WeakPolarHBondContact CG-OD2 3.35Å; K377-D432 VanDerWaalsContact NZ-CG 3.33Å; K377-D432 IonicContact NZ-OD1 2.78Å; K377-D432 PolarHBondContact NZ-OD1 3Å; K377-D432 IonicContact NZ-OD2 3.11Å; K377-D432 PolarHBondContact NZ-OD2 2.88Å; K377-D432 VanDerWaalsContact NZ-OD2 3.08Å
378	E	90.9	Very high	85.3	Confident	39 Å²	39	21.8 Å²	21.8	18%	0.182	14%	0.143	C	C	.	.			trans	-101.2	146.4	175.1	-58.6	179.4	110.6	0	0	110.6	V373 T374 E376 Y380 R408	V373-E378 WeakPolarHBondContact CA-O 3.41Å; T374-E378 PolarHBondContact N-O 2.98Å; T374-E378 WeakPolarHBondContact OG1-CB 3.12Å; T374-E378 PolarHBondContact OG1-N 3.12Å; T374-E378 VanDerWaalsContact OG1-N 3.08Å; T374-E378 PolarHBondContact OG1-O 3.37Å; E376-E378 HydrophobicContact CB-CG 4.36Å; E378-Y380 HydrophobicContact CB-CE2 3.99Å; E378-R408 WeakPolarHBondContact OE1-CD 3.34Å; E378-R408 IonicContact OE1-CZ 3.47Å; E378-R408 IonicContact OE1-NE 3.41Å; E378-R408 IonicContact OE1-NH1 2.69Å; E378-R408 PolarHBondContact OE1-NH1 2.82Å
379	L	95.3	Very high	84.4	Confident	4 Å²	4	22.3 Å²	22.3	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	129.9	177.8	-178.5	63.2	0	0	0	111.1	A371 V373 T381 R408 V409 L412 I417 V420 C429 F439	A371-L379 HydrophobicContact CB-CD1 4.19Å; V373-L379 HydrophobicContact CG2-CD1 3.92Å; L379-T381 HydrophobicContact CG-CG2 4.28Å; L379-R408 WeakPolarHBondContact O-CA 3.42Å; L379-V409 HydrophobicContact CB-CB 4.49Å; L379-V409 HydrophobicContact CB-CG2 4.42Å; L379-V409 HydrophobicContact CD2-CG2 4.16Å; L379-V409 HydrophobicContact CG-CG2 4.02Å; L379-V409 PolarHBondContact O-N 2.92Å; L379-L412 HydrophobicContact CB-CD1 4.46Å; L379-L412 HydrophobicContact CD2-CD1 3.78Å; L379-I417 HydrophobicContact CB-CG1 4.09Å; L379-V420 HydrophobicContact CD1-CB 4.12Å; L379-V420 HydrophobicContact CD1-CG1 4.39Å; L379-V420 HydrophobicContact CD1-CG2 3.97Å; L379-C429 HydrophobicContact CD2-CB 4.16Å; L379-F439 HydrophobicContact CD2-CE1 4.24Å; L379-F439 HydrophobicContact CD2-CZ 3.87Å
380	Y	96	Very high	83.8	Confident	32 Å²	32	30.4 Å²	30.4	13%	0.125	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.7	173.5	-72	-109.9	0	0	0	109.8	F354 S358 A371 V372 T374 E378 P406 K407 R408	F354-Y380 HydrophobicContact CE1-CD1 4.09Å; F354-Y380 HydrophobicContact CE1-CD2 4.15Å; F354-Y380 AromaticContact CE1-CG 3.86Å; F354-Y380 HydrophobicContact CE1-CG 3.86Å; F354-Y380 HydrophobicContact CZ-CG 4.38Å; S358-Y380 PolarHBondContact OG-OH 2.78Å; A371-Y380 CarbonylContact C-O 3.28Å; A371-Y380 WeakPolarHBondContact CA-O 3.39Å; V372-Y380 PolarHBondContact N-O 2.83Å; V372-Y380 PolarHBondContact O-N 2.89Å; T374-Y380 HydrophobicContact CG2-CD2 3.84Å; T374-Y380 HydrophobicContact CG2-CE2 3.69Å; E378-Y380 HydrophobicContact CB-CE2 3.99Å; Y380-P406 HydrophobicContact CD1-CB 4.07Å; Y380-K407 WeakPolarHBondContact CA-O 3.28Å; Y380-R408 HydrophobicContact CD1-CB 4.07Å; Y380-R408 HydrophobicContact CE1-CB 3.78Å; Y380-R408 HydrophobicContact CE2-CB 4.26Å; Y380-R408 HydrophobicContact CE2-CG 4.13Å; Y380-R408 HydrophobicContact CG-CB 4.45Å
381	T	96.4	Very high	83.5	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	150	-178.4	48.8	0	0	0	0	110.6	F370 A371 L379 L395 H397 K407 V409	F370-T381 WeakPolarHBondContact O-CA 3.49Å; A371-T381 HydrophobicContact CB-CG2 4.23Å; L379-T381 HydrophobicContact CG-CG2 4.28Å; T381-L395 PolarHBondContact OG1-O 2.95Å; T381-H397 PolarHBondContact OG1-NE2 2.76Å; T381-K407 PolarHBondContact N-O 2.83Å; T381-K407 PolarHBondContact O-N 3.38Å; T381-V409 HydrophobicContact CG2-CG2 3.9Å; T381-V409 VanDerWaalsContact OG1-CG2 3.31Å; T381-V409 WeakPolarHBondContact OG1-CG2 3.24Å
382	W	94.2	Very high	83.2	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.008	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	165.3	172.4	70.3	100.9	0	0	0	111.3	L351 F354 H369 F370 V372 Y403 Q405 P406 I711	L351-W382 HydrophobicContact CD2-CH2 3.66Å; L351-W382 HydrophobicContact CD2-CZ2 3.39Å; F354-W382 HydrophobicContact CE2-CH2 4.4Å; F354-W382 HydrophobicContact CE2-CZ3 4.49Å; F354-W382 HydrophobicContact CZ-CZ3 4.25Å; H369-W382 CarbonylContact C-O 3.12Å; H369-W382 WeakPolarHBondContact CA-O 3.43Å; F370-W382 HydrophobicContact CB-CD2 3.84Å; F370-W382 HydrophobicContact CB-CE3 4.07Å; F370-W382 HydrophobicContact CB-CH2 3.81Å; F370-W382 HydrophobicContact CB-CZ2 3.54Å; F370-W382 HydrophobicContact CB-CZ3 4.05Å; F370-W382 AromaticContact CD2-CD1 3.97Å; F370-W382 AromaticContact CD2-CE2 3.78Å; F370-W382 HydrophobicContact CD2-CZ2 4.15Å; F370-W382 AromaticContact CD2-NE1 3.39Å; F370-W382 AromaticContact CG-CE2 3.9Å; F370-W382 AromaticContact CG-CZ2 3.89Å; F370-W382 HydrophobicContact CG-CZ2 3.89Å; F370-W382 PolarHBondContact N-O 2.78Å; F370-W382 PolarHBondContact O-N 2.63Å; F370-W382 VanDerWaalsContact O-N 3.15Å; V372-W382 HydrophobicContact CB-CZ3 4.21Å; V372-W382 HydrophobicContact CG2-CH2 3.56Å; V372-W382 HydrophobicContact CG2-CZ3 3.63Å; W382-Y403 WeakPolarHBondContact CB-O 3.06Å; W382-Q405 WeakPolarHBondContact CB-O 3.35Å; W382-P406 HydrophobicContact CD2-CB 4.33Å; W382-P406 HydrophobicContact CD2-CG 3.86Å; W382-P406 HydrophobicContact CE3-CB 3.75Å; W382-P406 HydrophobicContact CE3-CG 3.64Å; W382-P406 HydrophobicContact CH2-CG 4.19Å; W382-P406 HydrophobicContact CZ2-CG 4.39Å; W382-P406 HydrophobicContact CZ3-CB 4.06Å; W382-P406 HydrophobicContact CZ3-CG 3.82Å; W382-I711 HydrophobicContact CH2-CD1 3.67Å; W382-I711 HydrophobicContact CZ2-CD1 3.94Å
383	A	91.1	Very high	82.9	Confident	3 Å²	3	31.9 Å²	31.9	3%	0.025	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	156.4	179.7	0	0	0	0	0	112.3	M391 L395 Y403	A383-M391 HydrophobicContact CB-CE 4.36Å; A383-M391 HydrophobicContact CB-SD 3.58Å; A383-M391 VanDerWaalsContact CB-SD 3.58Å; A383-L395 HydrophobicContact CB-CD1 4.25Å; A383-Y403 PolarHBondContact N-O 3.06Å
384	D	82.3	Confident	82.9	Confident	21 Å²	21	31.9 Å²	31.9	11%	0.112	20%	0.195	C	C	.	.			trans	-103.3	131	158.2	-140.2	-20.4	0	0	0	109.6	K345 N368 F370 Q386 H709	K345-D384 IonicContact NZ-OD1 3.56Å; K345-D384 PolarHBondContact NZ-OD1 3.21Å; K345-D384 IonicContact NZ-OD2 2.83Å; K345-D384 PolarHBondContact NZ-OD2 3.37Å; N368-D384 PolarHBondContact O-N 3.31Å; F370-D384 HydrophobicContact CE2-CB 4.15Å; D384-Q386 PolarHBondContact O-N 2.89Å; D384-H709 IonicContact OD2-CE1 2.89Å; D384-H709 PolarHBondContact OD2-CE1 2.7Å; D384-H709 VanDerWaalsContact OD2-CE1 3.31Å; D384-H709 IonicContact OD2-ND1 2.61Å
385	V	66.5	Low	83.2	Confident	37 Å²	37	32.1 Å²	32.1	22%	0.224	20%	0.196	C	C	.	.			trans	-101.5	23.6	-164.5	-159.1	0	0	0	0	111.7	R404	V385-R404 HydrophobicContact CG2-CG 3.74Å
386	Q	63.1	Low	83.8	Confident	88 Å²	88	32 Å²	32	41%	0.411	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	117.2	172.9	-64.9	-140.6	-0.4	0	0	110	G343 D384 W708	G343-Q386 WeakPolarHBondContact O-CG 3.2Å; G343-Q386 PolarHBondContact O-NE2 3.22Å; G343-Q386 VanDerWaalsContact O-NE2 3.08Å; G343-Q386 PolarHBondContact O-OE1 3.42Å; G343-Q386 VanDerWaalsContact O-OE1 3.12Å; D384-Q386 PolarHBondContact O-N 2.89Å; Q386-W708 HydrophobicContact CB-CZ2 4.38Å; Q386-W708 WeakPolarHBondContact O-CZ2 3.35Å
387	G	56.2	Low	84.6	Confident	79 Å²	79	32.2 Å²	32.2	81%	0.814	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	110.4	-11.5	-178.9	0	0	0	0	0	115	A389	G387-A389 VanDerWaalsContact C-N 3.27Å; G387-A389 PolarHBondContact O-N 2.83Å
388	G	57.7	Low	84.9	Confident	61 Å²	61	32.1 Å²	32.1	63%	0.629	21%	0.207	S	C	*	.			trans	70.7	17.6	174.9	0	0	0	0	0	115.1	K390	G388-K390 PolarHBondContact O-N 3.25Å
389	A	68.8	Low	85	Confident	38 Å²	38	32.4 Å²	32.4	31%	0.314	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-56.8	132	172.6	0	0	0	0	0	110.8	G387	G387-A389 VanDerWaalsContact C-N 3.27Å; G387-A389 PolarHBondContact O-N 2.83Å
390	K	79.3	Confident	84.8	Confident	170 Å²	170	37.3 Å²	37.3	74%	0.739	23%	0.233	S	C	*	.	P	Polyproline II helix	trans	-75.3	144.3	173.3	-68.7	-174.2	176.1	-174.5	0	109.8	G388	G388-K390 PolarHBondContact O-N 3.25Å
391	M	89.3	Confident	84.6	Confident	3 Å²	3	37.8 Å²	37.8	2%	0.015	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-79.8	138.6	166.9	-54.2	-66.3	87.5	0	0	109	N368 A383 Q394 L395 Q400	N368-M391 HydrophobicContact CB-CE 4.41Å; A383-M391 HydrophobicContact CB-CE 4.36Å; A383-M391 HydrophobicContact CB-SD 3.58Å; A383-M391 VanDerWaalsContact CB-SD 3.58Å; M391-Q394 VanDerWaalsContact CB-OE1 3.3Å; M391-Q394 HydrophobicContact SD-CG 4.41Å; M391-L395 HydrophobicContact CG-CD1 4.19Å; M391-L395 HydrophobicContact SD-CD1 4.12Å; M391-L395 HydrophobicContact SD-CD2 4.48Å; M391-L395 HydrophobicContact SD-CG 4.19Å; M391-Q400 WeakPolarHBondContact O-CB 3.37Å; M391-Q400 WeakPolarHBondContact O-CG 3.4Å
392	V	90.4	Very high	84.3	Confident	28 Å²	28	39.9 Å²	39.9	17%	0.17	26%	0.258	C	S	.	.			trans	-124	35.7	-177.5	-68.4	0	0	0	0	109.9	D425 G440 E456	V392-D425 HydrophobicContact CG2-CB 3.84Å; V392-G440 CarbonylContact O-C 3.51Å; V392-G440 VanDerWaalsContact O-C 3.28Å; V392-G440 WeakPolarHBondContact O-CA 3.09Å; V392-E456 HydrophobicContact CB-CG 4.07Å; V392-E456 HydrophobicContact CG1-CG 4.44Å
393	G	91.4	Very high	84.1	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.01	27%	0.27	C	S	.	.	S	Bend	trans	94.4	-5.1	-179.9	0	0	0	0	0	116.2	L395 G396 G440 L458	G393-L395 PolarHBondContact O-N 3.01Å; G393-G396 PolarHBondContact O-N 2.92Å; G393-G440 VanDerWaalsContact C-CA 3.48Å; G393-L458 VanDerWaalsContact CA-CD2 3.49Å
394	Q	94.3	Very high	84	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-8.1	-171.2	69.2	-83.2	66.3	0	0	115.5	H369 M391 D425 T427 F439	H369-Q394 HydrophobicContact CB-CG 4.39Å; M391-Q394 VanDerWaalsContact CB-OE1 3.3Å; M391-Q394 HydrophobicContact SD-CG 4.41Å; Q394-D425 VanDerWaalsContact CB-C 3.48Å; Q394-D425 WeakPolarHBondContact CB-O 3.29Å; Q394-D425 PolarHBondContact NE2-OD1 3.39Å; Q394-T427 PolarHBondContact O-OG1 3.34Å; Q394-F439 WeakPolarHBondContact O-CE2 3.37Å
395	L	95.3	Very high	84.4	Confident	5 Å²	5	57.3 Å²	57.3	3%	0.026	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-17.4	172.7	-52.1	-177.4	0	0	0	113.8	H369 T381 A383 M391 G393 A401 Y403 F439	H369-L395 HydrophobicContact CB-CD2 3.79Å; T381-L395 PolarHBondContact OG1-O 2.95Å; A383-L395 HydrophobicContact CB-CD1 4.25Å; M391-L395 HydrophobicContact CG-CD1 4.19Å; M391-L395 HydrophobicContact SD-CD1 4.12Å; M391-L395 HydrophobicContact SD-CD2 4.48Å; M391-L395 HydrophobicContact SD-CG 4.19Å; G393-L395 PolarHBondContact O-N 3.01Å; L395-A401 WeakPolarHBondContact CD1-O 3.05Å; L395-Y403 HydrophobicContact CD1-CD2 4.03Å; L395-F439 VanDerWaalsContact C-CE2 3.44Å
396	G	95.5	Very high	85.7	Confident	2 Å²	2	56.4 Å²	56.4	2%	0.021	32%	0.323	C	S	.	.			trans	75.8	19.7	175.1	0	0	0	0	0	115.7	G393 F439 L458 P460	G393-G396 PolarHBondContact O-N 2.92Å; G396-F439 VanDerWaalsContact N-CD2 3.26Å; G396-L458 CarbonylContact C-O 3.52Å; G396-L458 WeakPolarHBondContact CA-O 3.21Å; G396-P460 WeakPolarHBondContact O-CD 3.33Å
397	H	95.8	Very high	87.1	Confident	24 Å²	24	55.1 Å²	55.1	11%	0.111	32%	0.316	C	S	.	.	S	Bend	trans	-90.8	1.9	-172.7	-71.9	-42.2	0	0	0	116	T381 D399 Y403 K407 R408 V409 L458	T381-H397 PolarHBondContact OG1-NE2 2.76Å; H397-D399 VanDerWaalsContact C-N 3.29Å; H397-Y403 HydrophobicContact CB-CE2 3.87Å; H397-Y403 AromaticContact CD2-CD2 3.36Å; H397-Y403 WeakPolarHBondContact CD2-CD2 3.47Å; H397-Y403 AromaticContact CD2-CE2 3.51Å; H397-Y403 AromaticContact CG-CE2 3.88Å; H397-K407 PolarHBondContact NE2-O 3.32Å; H397-R408 PolarHBondContact CE1-O 2.98Å; H397-R408 VanDerWaalsContact CE1-O 3.27Å; H397-R408 PolarHBondContact NE2-O 3.38Å; H397-V409 WeakPolarHBondContact NE2-CG2 3.42Å; H397-V409 PolarHBondContact NE2-N 2.74Å; H397-L458 PolarHBondContact N-O 3.38Å
398	G	93.9	Very high	88.9	Confident	38 Å²	38	54.3 Å²	54.3	39%	0.392	29%	0.288	S	S	.	.	S	Bend	trans	78.7	11	-172.2	0	0	0	0	0	114.1	L458	G398-L458 WeakPolarHBondContact CA-O 3.33Å; G398-L458 PolarHBondContact N-O 2.87Å
399	D	92.2	Very high	90.8	Very high	45 Å²	45	51.6 Å²	51.6	24%	0.241	26%	0.259	C	S	.	.	S	Bend	trans	-145.8	173.2	-176	67.2	53.3	0	0	0	112.6	H397 A401 Y403 K407	H397-D399 VanDerWaalsContact C-N 3.29Å; D399-A401 WeakPolarHBondContact OD1-CA 3.3Å; D399-A401 VanDerWaalsContact OD1-CB 3.23Å; D399-A401 WeakPolarHBondContact OD1-CB 3.48Å; D399-A401 PolarHBondContact OD1-N 3.17Å; D399-Y403 VanDerWaalsContact OD1-CE2 3.32Å; D399-Y403 WeakPolarHBondContact OD1-CE2 3.47Å; D399-Y403 WeakPolarHBondContact OD2-CE2 3.36Å; D399-Y403 PolarHBondContact OD2-OH 3.33Å; D399-K407 IonicContact OD2-NZ 3.88Å
400	Q	92.1	Very high	91.9	Very high	107 Å²	107	54 Å²	54	50%	0.5	26%	0.264	S	S	.	.			trans	-100.1	20.6	174.7	-67.9	179.9	-22.6	0	0	112.7	M391 E456 L458	M391-Q400 WeakPolarHBondContact O-CB 3.37Å; M391-Q400 WeakPolarHBondContact O-CG 3.4Å; Q400-E456 PolarHBondContact NE2-OE2 3.33Å; Q400-L458 HydrophobicContact CG-CD2 4.09Å
401	A	90.3	Very high	92.5	Very high	42 Å²	42	51.5 Å²	51.5	35%	0.347	25%	0.253	S	S	.	.			trans	-85.7	133.3	-171.5	0	0	0	0	0	113	L395 D399 Y403	L395-A401 WeakPolarHBondContact CD1-O 3.05Å; D399-A401 WeakPolarHBondContact OD1-CA 3.3Å; D399-A401 VanDerWaalsContact OD1-CB 3.23Å; D399-A401 WeakPolarHBondContact OD1-CB 3.48Å; D399-A401 PolarHBondContact OD1-N 3.17Å; A401-Y403 HydrophobicContact CB-CD2 4.35Å; A401-Y403 HydrophobicContact CB-CE2 3.84Å; A401-Y403 VanDerWaalsContact O-CD2 3.22Å; A401-Y403 WeakPolarHBondContact O-CD2 3.2Å; A401-Y403 PolarHBondContact O-N 3.41Å
402	S	89.6	Confident	92.6	Very high	43 Å²	43	51.8 Å²	51.8	30%	0.301	26%	0.255	S	S	.	.			trans	-79.3	77.2	177	-48	0	0	0	0	112.1	R404	S402-R404 PolarHBondContact O-N 2.91Å
403	Y	91.1	Very high	92.4	Very high	70 Å²	70	56.9 Å²	56.9	28%	0.275	28%	0.277	S	S	.	.			trans	-59.2	123.6	173.8	-66.2	-82.8	0	0	0	110.9	W382 A383 L395 H397 D399 A401 K407	W382-Y403 WeakPolarHBondContact CB-O 3.06Å; A383-Y403 PolarHBondContact N-O 3.06Å; L395-Y403 HydrophobicContact CD1-CD2 4.03Å; H397-Y403 HydrophobicContact CB-CE2 3.87Å; H397-Y403 AromaticContact CD2-CD2 3.36Å; H397-Y403 WeakPolarHBondContact CD2-CD2 3.47Å; H397-Y403 AromaticContact CD2-CE2 3.51Å; H397-Y403 AromaticContact CG-CE2 3.88Å; D399-Y403 VanDerWaalsContact OD1-CE2 3.32Å; D399-Y403 WeakPolarHBondContact OD1-CE2 3.47Å; D399-Y403 WeakPolarHBondContact OD2-CE2 3.36Å; D399-Y403 PolarHBondContact OD2-OH 3.33Å; A401-Y403 HydrophobicContact CB-CD2 4.35Å; A401-Y403 HydrophobicContact CB-CE2 3.84Å; A401-Y403 VanDerWaalsContact O-CD2 3.22Å; A401-Y403 WeakPolarHBondContact O-CD2 3.2Å; A401-Y403 PolarHBondContact O-N 3.41Å; Y403-K407 HydrophobicContact CD1-CB 4.48Å; Y403-K407 HydrophobicContact CD1-CD 3.71Å; Y403-K407 HydrophobicContact CD2-CD 4.23Å; Y403-K407 HydrophobicContact CE1-CD 3.49Å; Y403-K407 VanDerWaalsContact CE1-CD 3.49Å; Y403-K407 HydrophobicContact CE2-CD 4.03Å; Y403-K407 HydrophobicContact CG-CD 4.08Å; Y403-K407 PolarHBondContact OH-NZ 3Å
404	R	88.6	Confident	91.7	Very high	179 Å²	179	59.1 Å²	59.1	68%	0.675	30%	0.3	S	S	*	.	S	Bend	trans	-92.6	-2.2	-176.3	-62.4	-170.2	178.6	-138	-0.8	114.6	V385 S402	V385-R404 HydrophobicContact CG2-CG 3.74Å; S402-R404 PolarHBondContact O-N 2.91Å
405	Q	90.2	Very high	91.3	Very high	143 Å²	143	61.9 Å²	61.9	67%	0.668	31%	0.312	S	S	*	.	S	Bend	trans	-135.3	152.3	178.5	-68.5	-176.2	-6.3	0	0	108.4	W382 K407	W382-Q405 WeakPolarHBondContact CB-O 3.35Å; Q405-K407 PolarHBondContact O-N 3.17Å; Q405-K407 VanDerWaalsContact O-N 3.13Å
406	P	93.6	Very high	90.9	Very high	18 Å²	18	62 Å²	62	12%	0.117	31%	0.314	C	S	.	.			trans	-53	117	178.1	-25.5	32.7	0	0	0	112.1	L351 F354 Y380 W382	L351-P406 HydrophobicContact CD1-CG 3.96Å; L351-P406 HydrophobicContact CD2-CG 3.69Å; L351-P406 HydrophobicContact CG-CG 3.97Å; F354-P406 HydrophobicContact CE1-CB 4.4Å; F354-P406 HydrophobicContact CE2-CB 4.23Å; F354-P406 HydrophobicContact CE2-CG 3.82Å; F354-P406 HydrophobicContact CZ-CB 3.71Å; F354-P406 HydrophobicContact CZ-CG 3.82Å; Y380-P406 HydrophobicContact CD1-CB 4.07Å; W382-P406 HydrophobicContact CD2-CB 4.33Å; W382-P406 HydrophobicContact CD2-CG 3.86Å; W382-P406 HydrophobicContact CE3-CB 3.75Å; W382-P406 HydrophobicContact CE3-CG 3.64Å; W382-P406 HydrophobicContact CH2-CG 4.19Å; W382-P406 HydrophobicContact CZ2-CG 4.39Å; W382-P406 HydrophobicContact CZ3-CB 4.06Å; W382-P406 HydrophobicContact CZ3-CG 3.82Å
407	K	93.9	Very high	90.8	Very high	61 Å²	61	61.9 Å²	61.9	27%	0.265	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	136.6	171	178.8	-177.3	167.7	-161.7	0	108.2	Y380 T381 H397 D399 Y403 Q405	Y380-K407 WeakPolarHBondContact CA-O 3.28Å; T381-K407 PolarHBondContact N-O 2.83Å; T381-K407 PolarHBondContact O-N 3.38Å; H397-K407 PolarHBondContact NE2-O 3.32Å; D399-K407 IonicContact OD2-NZ 3.88Å; Y403-K407 HydrophobicContact CD1-CB 4.48Å; Y403-K407 HydrophobicContact CD1-CD 3.71Å; Y403-K407 HydrophobicContact CD2-CD 4.23Å; Y403-K407 HydrophobicContact CE1-CD 3.49Å; Y403-K407 VanDerWaalsContact CE1-CD 3.49Å; Y403-K407 HydrophobicContact CE2-CD 4.03Å; Y403-K407 HydrophobicContact CG-CD 4.08Å; Y403-K407 PolarHBondContact OH-NZ 3Å; Q405-K407 PolarHBondContact O-N 3.17Å; Q405-K407 VanDerWaalsContact O-N 3.13Å
408	R	94.3	Very high	90.7	Very high	63 Å²	63	64.3 Å²	64.3	24%	0.238	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	140.5	176.4	-172.2	178.7	67.9	171.3	2	109.9	E378 L379 Y380 H397 E410	E378-R408 WeakPolarHBondContact OE1-CD 3.34Å; E378-R408 IonicContact OE1-CZ 3.47Å; E378-R408 IonicContact OE1-NE 3.41Å; E378-R408 IonicContact OE1-NH1 2.69Å; E378-R408 PolarHBondContact OE1-NH1 2.82Å; L379-R408 WeakPolarHBondContact O-CA 3.42Å; Y380-R408 HydrophobicContact CD1-CB 4.07Å; Y380-R408 HydrophobicContact CE1-CB 3.78Å; Y380-R408 HydrophobicContact CE2-CB 4.26Å; Y380-R408 HydrophobicContact CE2-CG 4.13Å; Y380-R408 HydrophobicContact CG-CB 4.45Å; H397-R408 PolarHBondContact CE1-O 2.98Å; H397-R408 VanDerWaalsContact CE1-O 3.27Å; H397-R408 PolarHBondContact NE2-O 3.38Å; R408-E410 WeakPolarHBondContact CB-OE1 3.47Å; R408-E410 IonicContact CZ-OE1 2.8Å; R408-E410 IonicContact CZ-OE2 3.86Å; R408-E410 IonicContact NE-OE1 2.81Å; R408-E410 PolarHBondContact NE-OE1 3.08Å; R408-E410 IonicContact NE-OE2 2.98Å; R408-E410 IonicContact NH2-OE1 2.7Å; R408-E410 PolarHBondContact NH2-OE1 3.14Å; R408-E410 IonicContact NH2-OE2 3.48Å; R408-E410 PolarHBondContact NH2-OE2 3.28Å; R408-E410 PolarHBondContact O-N 3.06Å
409	V	96	Very high	90.8	Very high	3 Å²	3	63.9 Å²	63.9	2%	0.018	31%	0.309	C	S	.	.			trans	-82.2	82.3	178.3	-176	0	0	0	0	109	L379 T381 H397 K411 L412 P460	L379-V409 HydrophobicContact CB-CB 4.49Å; L379-V409 HydrophobicContact CB-CG2 4.42Å; L379-V409 HydrophobicContact CD2-CG2 4.16Å; L379-V409 HydrophobicContact CG-CG2 4.02Å; L379-V409 PolarHBondContact O-N 2.92Å; T381-V409 HydrophobicContact CG2-CG2 3.9Å; T381-V409 VanDerWaalsContact OG1-CG2 3.31Å; T381-V409 WeakPolarHBondContact OG1-CG2 3.24Å; H397-V409 WeakPolarHBondContact NE2-CG2 3.42Å; H397-V409 PolarHBondContact NE2-N 2.74Å; V409-K411 PolarHBondContact O-N 3.08Å; V409-L412 HydrophobicContact CB-CD1 4.33Å; V409-L412 HydrophobicContact CG1-CD1 3.87Å; V409-L412 HydrophobicContact CG1-CG 4.15Å; V409-L412 PolarHBondContact O-N 2.99Å; V409-P460 HydrophobicContact CG1-CG 3.6Å
410	E	92.4	Very high	91	Very high	88 Å²	88	61.8 Å²	61.8	41%	0.411	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-53	-31	-173	-62	-56.9	126.3	0	0	114.3	R408 L412 Q413	R408-E410 WeakPolarHBondContact CB-OE1 3.47Å; R408-E410 IonicContact CZ-OE1 2.8Å; R408-E410 IonicContact CZ-OE2 3.86Å; R408-E410 IonicContact NE-OE1 2.81Å; R408-E410 PolarHBondContact NE-OE1 3.08Å; R408-E410 IonicContact NE-OE2 2.98Å; R408-E410 IonicContact NH2-OE1 2.7Å; R408-E410 PolarHBondContact NH2-OE1 3.14Å; R408-E410 IonicContact NH2-OE2 3.48Å; R408-E410 PolarHBondContact NH2-OE2 3.28Å; R408-E410 PolarHBondContact O-N 3.06Å; E410-L412 PolarHBondContact O-N 2.81Å; E410-Q413 WeakPolarHBondContact O-CB 3.41Å; E410-Q413 PolarHBondContact O-N 3Å
411	K	92.6	Very high	91.3	Very high	119 Å²	119	57.1 Å²	57.1	52%	0.517	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-66.1	-17.4	178.3	-164.4	54	166.2	-92.6	0	113.6	V409 E459 P460	V409-K411 PolarHBondContact O-N 3.08Å; K411-E459 HydrophobicContact CG-CB 4.34Å; K411-E459 IonicContact NZ-OE1 3.48Å; K411-E459 PolarHBondContact NZ-OE1 3.22Å; K411-E459 IonicContact NZ-OE2 2.73Å; K411-E459 PolarHBondContact NZ-OE2 2.93Å; K411-P460 HydrophobicContact CB-CG 4.45Å
412	L	91.7	Very high	91.6	Very high	9 Å²	9	55.3 Å²	55.3	5%	0.047	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-98.1	9.7	172.6	-65.9	168.3	0	0	0	112.8	L379 V409 E410 G414 K415 I417 Y437 F439 P460	L379-L412 HydrophobicContact CB-CD1 4.46Å; L379-L412 HydrophobicContact CD2-CD1 3.78Å; V409-L412 HydrophobicContact CB-CD1 4.33Å; V409-L412 HydrophobicContact CG1-CD1 3.87Å; V409-L412 HydrophobicContact CG1-CG 4.15Å; V409-L412 PolarHBondContact O-N 2.99Å; E410-L412 PolarHBondContact O-N 2.81Å; L412-G414 PolarHBondContact O-N 3.02Å; L412-K415 WeakPolarHBondContact O-CB 3.36Å; L412-K415 PolarHBondContact O-N 3.1Å; L412-I417 HydrophobicContact CB-CD1 4.44Å; L412-I417 HydrophobicContact CD1-CD1 4.14Å; L412-I417 HydrophobicContact CD1-CG1 4.47Å; L412-I417 HydrophobicContact CD2-CD1 4.32Å; L412-Y437 HydrophobicContact CD2-CD1 3.8Å; L412-Y437 HydrophobicContact CD2-CD2 4.34Å; L412-Y437 HydrophobicContact CD2-CE1 4.2Å; L412-Y437 HydrophobicContact CD2-CG 3.88Å; L412-F439 HydrophobicContact CD1-CE1 4.45Å; L412-P460 HydrophobicContact CD1-CB 4.08Å; L412-P460 HydrophobicContact CD1-CG 3.86Å; L412-P460 HydrophobicContact CD2-CB 3.82Å; L412-P460 HydrophobicContact CD2-CG 4.33Å; L412-P460 HydrophobicContact CG-CB 3.89Å; L412-P460 HydrophobicContact CG-CG 3.83Å
413	Q	86	Confident	91.9	Very high	134 Å²	134	53.2 Å²	53.2	63%	0.626	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	130.8	176.2	-171.3	-178.7	13.5	0	0	110.7	E410 K415	E410-Q413 WeakPolarHBondContact O-CB 3.41Å; E410-Q413 PolarHBondContact O-N 3Å; Q413-K415 VanDerWaalsContact C-N 3.28Å; Q413-K415 PolarHBondContact O-N 2.8Å
414	G	76.6	Confident	91.9	Very high	49 Å²	49	50.5 Å²	50.5	51%	0.505	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-24.1	-175.7	0	0	0	0	0	114.6	K175 L412	K175-G414 WeakPolarHBondContact CD-O 3.5Å; L412-G414 PolarHBondContact O-N 3.02Å
415	K	86.2	Confident	92.1	Very high	57 Å²	57	44.4 Å²	44.4	25%	0.248	22%	0.22	C	C	.	.	S	Bend	trans	-75.4	134.2	170	-71.9	-75.8	168.7	175.1	0	109.6	L412 Q413 I417 T431 E433 Y437	L412-K415 WeakPolarHBondContact O-CB 3.36Å; L412-K415 PolarHBondContact O-N 3.1Å; Q413-K415 VanDerWaalsContact C-N 3.28Å; Q413-K415 PolarHBondContact O-N 2.8Å; K415-I417 HydrophobicContact CB-CD1 4.24Å; K415-I417 PolarHBondContact O-N 2.81Å; K415-T431 HydrophobicContact CB-CG2 4.47Å; K415-T431 HydrophobicContact CD-CG2 4.37Å; K415-E433 IonicContact NZ-OE2 2.72Å; K415-E433 PolarHBondContact NZ-OE2 2.98Å; K415-Y437 HydrophobicContact CD-CE2 4.15Å; K415-Y437 VanDerWaalsContact CE-OH 3.24Å; K415-Y437 WeakPolarHBondContact CE-OH 3.3Å; K415-Y437 HydrophobicContact CG-CE2 4.48Å
416	A	85.9	Confident	92.4	Very high	8 Å²	8	37.8 Å²	37.8	7%	0.066	19%	0.189	C	C	.	.			trans	-90.2	98.2	-179.9	0	0	0	0	0	109.5	K175 K377 T431 D432	K175-A416 HydrophobicContact CD-CB 3.79Å; K377-A416 HydrophobicContact CB-CB 3.87Å; K377-A416 HydrophobicContact CG-CB 4.26Å; A416-T431 CarbonylContact O-C 3.52Å; A416-T431 WeakPolarHBondContact O-CA 3.27Å; A416-T431 VanDerWaalsContact O-CB 3.28Å; A416-T431 WeakPolarHBondContact O-CB 3.47Å; A416-D432 HydrophobicContact CB-CB 4.09Å; A416-D432 WeakPolarHBondContact CB-OD2 3.46Å; A416-D432 PolarHBondContact O-N 3.41Å
417	I	93.8	Very high	92.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	125.5	-179.8	-50	-51.2	0	0	0	110.3	V373 K377 L379 L412 K415 C429 T431	V373-I417 HydrophobicContact CG1-CB 4.34Å; V373-I417 HydrophobicContact CG1-CG2 4.32Å; V373-I417 WeakPolarHBondContact CG1-O 3.06Å; V373-I417 HydrophobicContact CG2-CG2 3.76Å; K377-I417 WeakPolarHBondContact CD-O 3.35Å; K377-I417 PolarHBondContact O-N 3.43Å; L379-I417 HydrophobicContact CB-CG1 4.09Å; L412-I417 HydrophobicContact CB-CD1 4.44Å; L412-I417 HydrophobicContact CD1-CD1 4.14Å; L412-I417 HydrophobicContact CD1-CG1 4.47Å; L412-I417 HydrophobicContact CD2-CD1 4.32Å; K415-I417 HydrophobicContact CB-CD1 4.24Å; K415-I417 PolarHBondContact O-N 2.81Å; I417-C429 HydrophobicContact CG2-CB 3.89Å; I417-T431 HydrophobicContact CD1-CG2 4.09Å
418	R	93	Very high	92.8	Very high	75 Å²	75	34 Å²	34	28%	0.283	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-39	-178.7	-176.1	170.3	55.9	80.6	-13.1	112.9	V430 T431 D432 D434 V471 R472	R418-V430 PolarHBondContact N-O 2.92Å; R418-T431 PolarHBondContact NE-O 3.02Å; R418-D432 VanDerWaalsContact CB-OD1 3.31Å; R418-D432 WeakPolarHBondContact CB-OD1 3.34Å; R418-D432 WeakPolarHBondContact CD-OD1 3.27Å; R418-D432 WeakPolarHBondContact CG-OD1 3.47Å; R418-D434 IonicContact CZ-OD1 3.95Å; R418-D434 IonicContact NE-OD1 2.84Å; R418-D434 IonicContact NH2-OD1 2.68Å; R418-D434 PolarHBondContact NH2-OD1 2.77Å; R418-V471 PolarHBondContact NH2-O 3.13Å; R418-V471 VanDerWaalsContact NH2-O 3.1Å; R418-R472 PolarHBondContact NH1-O 2.82Å; R418-R472 PolarHBondContact NH2-O 2.9Å
419	Q	96.1	Very high	93	Very high	28 Å²	28	31 Å²	31	13%	0.131	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	148.6	-177.3	-160.3	-156.6	-20.6	0	0	109.8	C429 V430 V474	Q419-C429 CarbonylContact O-C 3.56Å; Q419-C429 VanDerWaalsContact O-CA 3.26Å; Q419-C429 WeakPolarHBondContact O-CA 3.46Å; Q419-C429 WeakPolarHBondContact O-CB 3.38Å; Q419-V430 HydrophobicContact CB-CB 4.27Å; Q419-V430 PolarHBondContact N-O 2.97Å; Q419-V430 PolarHBondContact O-N 2.98Å; Q419-V474 PolarHBondContact NE2-O 3.06Å; Q419-V474 VanDerWaalsContact OE1-N 3.08Å
420	V	98	Very high	93	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	146.3	164.4	72	0	0	0	0	109.7	H362 C364 A371 V373 L379 T427 A428 C429	H362-V420 PolarHBondContact NE2-O 2.87Å; C364-V420 HydrophobicContact CB-CG1 3.91Å; A371-V420 HydrophobicContact CB-CB 4.37Å; A371-V420 HydrophobicContact CB-CG1 3.7Å; A371-V420 HydrophobicContact CB-CG2 3.75Å; V373-V420 HydrophobicContact CG2-CB 4Å; V373-V420 HydrophobicContact CG2-CG1 3.93Å; L379-V420 HydrophobicContact CD1-CB 4.12Å; L379-V420 HydrophobicContact CD1-CG1 4.39Å; L379-V420 HydrophobicContact CD1-CG2 3.97Å; V420-T427 HydrophobicContact CG2-CG2 3.5Å; V420-T427 VanDerWaalsContact CG2-CG2 3.5Å; V420-A428 CarbonylContact C-O 3.54Å; V420-A428 WeakPolarHBondContact CA-O 3.38Å; V420-A428 VanDerWaalsContact CG2-O 3.28Å; V420-A428 WeakPolarHBondContact CG2-O 3.45Å; V420-C429 HydrophobicContact CB-CB 4.39Å; V420-C429 HydrophobicContact CG2-CB 4.2Å
421	A	97.8	Very high	93.1	Very high	9 Å²	9	26.7 Å²	26.7	7%	0.074	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	129.4	171.4	0	0	0	0	0	109.5	A428 V474 C476	A421-A428 PolarHBondContact N-O 3.14Å; A421-A428 PolarHBondContact O-N 2.81Å; A421-V474 HydrophobicContact CB-CG1 4.05Å; A421-C476 HydrophobicContact CB-CB 4.27Å
422	C	96.6	Very high	92.8	Very high	4 Å²	4	24.2 Å²	24.2	3%	0.027	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	134.3	-177.9	-65.7	0	0	0	0	110.2	C364 H369	C364-C422 HydrophobicContact CB-CB 4.45Å; C364-C422 PolarHBondContact SG-N 3.25Å; H369-C422 WeakPolarHBondContact NE2-CB 3.49Å; H369-C422 PolarHBondContact NE2-SG 2.87Å
423	G	94.6	Very high	92.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.			trans	-88	-155.9	164.5	0	0	0	0	0	111.6	G366 F426 G477	G366-G423 VanDerWaalsContact CA-O 3.28Å; G366-G423 WeakPolarHBondContact CA-O 3.46Å; G423-F426 PolarHBondContact N-O 3.23Å; G423-G477 WeakPolarHBondContact CA-O 3.25Å
424	A	92.3	Very high	92.6	Very high	12 Å²	12	21.6 Å²	21.6	10%	0.099	12%	0.12	C	C	.	.	S	Bend	trans	-65.9	-61.9	170	0	0	0	0	0	110.5	E367 H369 D478	E367-A424 HydrophobicContact CB-CB 4.38Å; H369-A424 PolarHBondContact ND1-O 2.95Å; A424-D478 HydrophobicContact CB-CB 4.29Å; A424-D478 VanDerWaalsContact CB-O 3.29Å; A424-D478 WeakPolarHBondContact CB-O 3.42Å; A424-D478 PolarHBondContact N-O 2.93Å; A424-D478 VanDerWaalsContact N-O 3.09Å
425	D	93.3	Very high	93.5	Very high	52 Å²	52	21.1 Å²	21.1	28%	0.278	11%	0.105	S	C	.	.	S	Bend	trans	-130.5	35	-173.6	-67.1	-56.9	0	0	0	112.9	V392 Q394 S441	V392-D425 HydrophobicContact CG2-CB 3.84Å; Q394-D425 VanDerWaalsContact CB-C 3.48Å; Q394-D425 WeakPolarHBondContact CB-O 3.29Å; Q394-D425 PolarHBondContact NE2-OD1 3.39Å; D425-S441 PolarHBondContact O-N 3.12Å
426	F	96	Very high	94	Very high	3 Å²	3	18.4 Å²	18.4	1%	0.013	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	162.8	168.1	69.6	-86.7	0	0	0	111.4	G423 M438 F439 C446 I447 C476 V481	G423-F426 PolarHBondContact N-O 3.23Å; F426-M438 HydrophobicContact CD2-CE 3.96Å; F426-M438 HydrophobicContact CE2-CE 4.07Å; F426-F439 CarbonylContact C-O 3.53Å; F426-F439 WeakPolarHBondContact CA-O 3.44Å; F426-F439 WeakPolarHBondContact CB-O 3.25Å; F426-C446 HydrophobicContact CD1-CB 3.76Å; F426-C446 HydrophobicContact CD2-CB 4.33Å; F426-C446 HydrophobicContact CE1-CB 3.73Å; F426-C446 HydrophobicContact CE2-CB 4.3Å; F426-C446 HydrophobicContact CG-CB 4.08Å; F426-C446 HydrophobicContact CZ-CB 4.01Å; F426-I447 HydrophobicContact CB-CD1 3.82Å; F426-I447 HydrophobicContact CG-CD1 4.42Å; F426-C476 HydrophobicContact CE2-CB 3.91Å; F426-C476 HydrophobicContact CZ-CB 3.98Å; F426-V481 HydrophobicContact CE2-CG2 3.5Å; F426-V481 VanDerWaalsContact CE2-CG2 3.5Å; F426-V481 HydrophobicContact CZ-CG2 3.67Å
427	T	97.8	Very high	94.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137.2	178.2	-64.7	0	0	0	0	110.6	H369 Q394 V420 M438 F439	H369-T427 PolarHBondContact NE2-OG1 3.07Å; H369-T427 VanDerWaalsContact NE2-OG1 3.15Å; Q394-T427 PolarHBondContact O-OG1 3.34Å; V420-T427 HydrophobicContact CG2-CG2 3.5Å; V420-T427 VanDerWaalsContact CG2-CG2 3.5Å; T427-M438 WeakPolarHBondContact O-CA 3.43Å; T427-F439 VanDerWaalsContact CB-CE2 3.47Å; T427-F439 HydrophobicContact CG2-CE1 4.03Å; T427-F439 HydrophobicContact CG2-CE2 3.83Å; T427-F439 HydrophobicContact CG2-CZ 3.47Å; T427-F439 VanDerWaalsContact CG2-CZ 3.47Å; T427-F439 PolarHBondContact N-O 3.12Å; T427-F439 PolarHBondContact O-N 3.01Å
428	A	98.1	Very high	94.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	138	170.2	0	0	0	0	0	110.3	V420 A421 L436 M438 V474 C476	V420-A428 CarbonylContact C-O 3.54Å; V420-A428 WeakPolarHBondContact CA-O 3.38Å; V420-A428 VanDerWaalsContact CG2-O 3.28Å; V420-A428 WeakPolarHBondContact CG2-O 3.45Å; A421-A428 PolarHBondContact N-O 3.14Å; A421-A428 PolarHBondContact O-N 2.81Å; A428-L436 HydrophobicContact CB-CD1 4.32Å; A428-M438 VanDerWaalsContact CA-SD 3.53Å; A428-M438 HydrophobicContact CB-CE 3.97Å; A428-M438 HydrophobicContact CB-SD 3.26Å; A428-M438 WeakPolarHBondContact CB-SD 3.28Å; A428-V474 HydrophobicContact CB-CG1 4.04Å; A428-V474 HydrophobicContact CB-CG2 3.87Å; A428-C476 VanDerWaalsContact CB-SG 3.53Å
429	C	97.7	Very high	95	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	141.2	171.5	63.8	0	0	0	0	112.6	L379 I417 Q419 V420 Y437	L379-C429 HydrophobicContact CD2-CB 4.16Å; I417-C429 HydrophobicContact CG2-CB 3.89Å; Q419-C429 CarbonylContact O-C 3.56Å; Q419-C429 VanDerWaalsContact O-CA 3.26Å; Q419-C429 WeakPolarHBondContact O-CA 3.46Å; Q419-C429 WeakPolarHBondContact O-CB 3.38Å; V420-C429 HydrophobicContact CB-CB 4.39Å; V420-C429 HydrophobicContact CG2-CB 4.2Å; C429-Y437 PolarHBondContact N-O 2.76Å; C429-Y437 PolarHBondContact O-N 3.47Å
430	V	97.4	Very high	94.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137	-175.5	178.9	0	0	0	0	109.2	R418 Q419 Q435 L436 V471 V474	R418-V430 PolarHBondContact N-O 2.92Å; Q419-V430 HydrophobicContact CB-CB 4.27Å; Q419-V430 PolarHBondContact N-O 2.97Å; Q419-V430 PolarHBondContact O-N 2.98Å; V430-Q435 CarbonylContact C-O 3.57Å; V430-Q435 VanDerWaalsContact CA-O 3.3Å; V430-Q435 WeakPolarHBondContact CA-O 3.12Å; V430-L436 HydrophobicContact CG2-CD1 3.84Å; V430-V471 HydrophobicContact CG1-CB 4.25Å; V430-V471 HydrophobicContact CG1-CG1 4.07Å; V430-V471 HydrophobicContact CG2-CB 4.49Å; V430-V471 HydrophobicContact CG2-CG1 3.67Å; V430-V474 HydrophobicContact CG2-CB 4Å; V430-V474 HydrophobicContact CG2-CG1 3.59Å
431	T	93.1	Very high	94.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	167.8	-179.2	70.1	0	0	0	0	113.2	K415 A416 I417 R418 E433 D434 Q435 Y437	K415-T431 HydrophobicContact CB-CG2 4.47Å; K415-T431 HydrophobicContact CD-CG2 4.37Å; A416-T431 CarbonylContact O-C 3.52Å; A416-T431 WeakPolarHBondContact O-CA 3.27Å; A416-T431 VanDerWaalsContact O-CB 3.28Å; A416-T431 WeakPolarHBondContact O-CB 3.47Å; I417-T431 HydrophobicContact CD1-CG2 4.09Å; R418-T431 PolarHBondContact NE-O 3.02Å; T431-E433 PolarHBondContact O-N 2.94Å; T431-E433 WeakPolarHBondContact OG1-CA 3.48Å; T431-E433 WeakPolarHBondContact OG1-CB 3.49Å; T431-E433 PolarHBondContact OG1-N 3.35Å; T431-E433 VanDerWaalsContact OG1-N 3.07Å; T431-D434 PolarHBondContact O-N 3.15Å; T431-D434 VanDerWaalsContact O-N 3.12Å; T431-D434 PolarHBondContact OG1-N 3.14Å; T431-Q435 HydrophobicContact CG2-CB 4.22Å; T431-Q435 PolarHBondContact N-O 3.35Å; T431-Q435 WeakPolarHBondContact OG1-CB 3.44Å; T431-Q435 PolarHBondContact OG1-N 3.37Å; T431-Q435 VanDerWaalsContact OG1-N 3.12Å; T431-Y437 HydrophobicContact CG2-CD2 3.89Å; T431-Y437 HydrophobicContact CG2-CE2 3.81Å
432	D	86	Confident	94.5	Very high	67 Å²	67	15.2 Å²	15.2	36%	0.358	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-10.2	163.8	-66.3	-45.3	0	0	0	111.9	K377 A416 R418 D434	K377-D432 VanDerWaalsContact CD-OD2 3.23Å; K377-D432 WeakPolarHBondContact CD-OD2 3.41Å; K377-D432 WeakPolarHBondContact CE-OD2 3.31Å; K377-D432 WeakPolarHBondContact CG-OD2 3.35Å; K377-D432 VanDerWaalsContact NZ-CG 3.33Å; K377-D432 IonicContact NZ-OD1 2.78Å; K377-D432 PolarHBondContact NZ-OD1 3Å; K377-D432 IonicContact NZ-OD2 3.11Å; K377-D432 PolarHBondContact NZ-OD2 2.88Å; K377-D432 VanDerWaalsContact NZ-OD2 3.08Å; A416-D432 HydrophobicContact CB-CB 4.09Å; A416-D432 WeakPolarHBondContact CB-OD2 3.46Å; A416-D432 PolarHBondContact O-N 3.41Å; R418-D432 VanDerWaalsContact CB-OD1 3.31Å; R418-D432 WeakPolarHBondContact CB-OD1 3.34Å; R418-D432 WeakPolarHBondContact CD-OD1 3.27Å; R418-D432 WeakPolarHBondContact CG-OD1 3.47Å; D432-D434 VanDerWaalsContact C-N 3.3Å
433	E	83.3	Confident	94.2	Very high	69 Å²	69	21.6 Å²	21.6	32%	0.322	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	9	169.5	-56.7	177.6	160.8	0	0	112	K415 T431 Q435	K415-E433 IonicContact NZ-OE2 2.72Å; K415-E433 PolarHBondContact NZ-OE2 2.98Å; T431-E433 PolarHBondContact O-N 2.94Å; T431-E433 WeakPolarHBondContact OG1-CA 3.48Å; T431-E433 WeakPolarHBondContact OG1-CB 3.49Å; T431-E433 PolarHBondContact OG1-N 3.35Å; T431-E433 VanDerWaalsContact OG1-N 3.07Å; E433-Q435 HydrophobicContact CB-CG 4.3Å; E433-Q435 PolarHBondContact O-N 3.02Å; E433-Q435 VanDerWaalsContact O-N 3.16Å; E433-Q435 VanDerWaalsContact OE2-CD 3.29Å; E433-Q435 PolarHBondContact OE2-NE2 2.92Å; E433-Q435 PolarHBondContact OE2-OE1 3.45Å
434	D	91.7	Very high	93.9	Very high	20 Å²	20	24.9 Å²	24.9	11%	0.107	12%	0.117	C	C	.	.			trans	55.8	22.3	-175.5	-68.7	-26.4	0	0	0	115.3	R418 T431 D432 R470 V471 Q486	R418-D434 IonicContact CZ-OD1 3.95Å; R418-D434 IonicContact NE-OD1 2.84Å; R418-D434 IonicContact NH2-OD1 2.68Å; R418-D434 PolarHBondContact NH2-OD1 2.77Å; T431-D434 PolarHBondContact O-N 3.15Å; T431-D434 VanDerWaalsContact O-N 3.12Å; T431-D434 PolarHBondContact OG1-N 3.14Å; D432-D434 VanDerWaalsContact C-N 3.3Å; D434-R470 HydrophobicContact CB-CB 3.64Å; D434-R470 HydrophobicContact CB-CG 4.06Å; D434-V471 PolarHBondContact O-N 3.17Å; D434-Q486 PolarHBondContact OD1-NE2 3.23Å; D434-Q486 VanDerWaalsContact OD2-CG 3.3Å; D434-Q486 WeakPolarHBondContact OD2-CG 3.46Å; D434-Q486 PolarHBondContact OD2-NE2 2.93Å
435	Q	94.6	Very high	93.9	Very high	39 Å²	39	24.3 Å²	24.3	18%	0.182	11%	0.112	C	C	.	.			trans	-83	147.2	172.2	-65.7	153.2	7.6	0	0	110.6	V430 T431 E433 Y437 L462	V430-Q435 CarbonylContact C-O 3.57Å; V430-Q435 VanDerWaalsContact CA-O 3.3Å; V430-Q435 WeakPolarHBondContact CA-O 3.12Å; T431-Q435 HydrophobicContact CG2-CB 4.22Å; T431-Q435 PolarHBondContact N-O 3.35Å; T431-Q435 WeakPolarHBondContact OG1-CB 3.44Å; T431-Q435 PolarHBondContact OG1-N 3.37Å; T431-Q435 VanDerWaalsContact OG1-N 3.12Å; E433-Q435 HydrophobicContact CB-CG 4.3Å; E433-Q435 PolarHBondContact O-N 3.02Å; E433-Q435 VanDerWaalsContact O-N 3.16Å; E433-Q435 VanDerWaalsContact OE2-CD 3.29Å; E433-Q435 PolarHBondContact OE2-NE2 2.92Å; E433-Q435 PolarHBondContact OE2-OE1 3.45Å; Q435-Y437 HydrophobicContact CB-CD2 4.47Å; Q435-Y437 HydrophobicContact CB-CE2 4.04Å; Q435-L462 HydrophobicContact CB-CD1 3.89Å; Q435-L462 HydrophobicContact CG-CD1 4.3Å
436	L	97.6	Very high	93.9	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.8	176.8	177.6	61.7	0	0	0	111.3	A428 V430 M438 L463 F466 V471 V474 V483 W493	A428-L436 HydrophobicContact CB-CD1 4.32Å; V430-L436 HydrophobicContact CG2-CD1 3.84Å; L436-M438 HydrophobicContact CD1-CG 4.49Å; L436-M438 HydrophobicContact CD1-SD 3.88Å; L436-M438 HydrophobicContact CD2-SD 4.32Å; L436-M438 HydrophobicContact CG-CG 4.2Å; L436-M438 HydrophobicContact CG-SD 4.12Å; L436-L463 HydrophobicContact CD2-CD2 3.78Å; L436-L463 HydrophobicContact CG-CD2 4.2Å; L436-L463 PolarHBondContact O-N 3.18Å; L436-F466 HydrophobicContact CB-CD2 4.45Å; L436-F466 HydrophobicContact CD2-CD2 3.81Å; L436-F466 HydrophobicContact CD2-CE2 3.87Å; L436-V471 HydrophobicContact CB-CG2 4.05Å; L436-V474 HydrophobicContact CD1-CB 4.32Å; L436-V474 HydrophobicContact CD1-CG1 4.42Å; L436-V474 HydrophobicContact CD1-CG2 4.26Å; L436-V483 HydrophobicContact CD2-CG2 3.8Å; L436-W493 HydrophobicContact CD2-CH2 3.93Å; L436-W493 HydrophobicContact CD2-CZ2 4.41Å
437	Y	97.8	Very high	93.8	Very high	27 Å²	27	21.8 Å²	21.8	11%	0.106	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	139	173.1	-73.9	-96.8	0	0	0	110.6	L412 K415 C429 T431 Q435 P460 V461 L462	L412-Y437 HydrophobicContact CD2-CD1 3.8Å; L412-Y437 HydrophobicContact CD2-CD2 4.34Å; L412-Y437 HydrophobicContact CD2-CE1 4.2Å; L412-Y437 HydrophobicContact CD2-CG 3.88Å; K415-Y437 HydrophobicContact CD-CE2 4.15Å; K415-Y437 VanDerWaalsContact CE-OH 3.24Å; K415-Y437 WeakPolarHBondContact CE-OH 3.3Å; K415-Y437 HydrophobicContact CG-CE2 4.48Å; C429-Y437 PolarHBondContact N-O 2.76Å; C429-Y437 PolarHBondContact O-N 3.47Å; T431-Y437 HydrophobicContact CG2-CD2 3.89Å; T431-Y437 HydrophobicContact CG2-CE2 3.81Å; Q435-Y437 HydrophobicContact CB-CD2 4.47Å; Q435-Y437 HydrophobicContact CB-CE2 4.04Å; Y437-P460 HydrophobicContact CD1-CB 4.37Å; Y437-V461 CarbonylContact C-O 3.22Å; Y437-V461 VanDerWaalsContact CA-O 3.25Å; Y437-V461 WeakPolarHBondContact CA-O 3.23Å; Y437-L462 HydrophobicContact CD1-CB 4.11Å; Y437-L462 HydrophobicContact CD2-CD1 4.33Å; Y437-L462 HydrophobicContact CE1-CB 3.67Å; Y437-L462 HydrophobicContact CE1-CD1 4.39Å; Y437-L462 HydrophobicContact CE2-CD1 3.93Å
438	M	97.3	Very high	93.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	148	-175.2	-59.8	-70.4	-69.1	0	0	111.1	F426 T427 A428 L436 C446 I447 V461 L463 V481 W493	F426-M438 HydrophobicContact CD2-CE 3.96Å; F426-M438 HydrophobicContact CE2-CE 4.07Å; T427-M438 WeakPolarHBondContact O-CA 3.43Å; A428-M438 VanDerWaalsContact CA-SD 3.53Å; A428-M438 HydrophobicContact CB-CE 3.97Å; A428-M438 HydrophobicContact CB-SD 3.26Å; A428-M438 WeakPolarHBondContact CB-SD 3.28Å; L436-M438 HydrophobicContact CD1-CG 4.49Å; L436-M438 HydrophobicContact CD1-SD 3.88Å; L436-M438 HydrophobicContact CD2-SD 4.32Å; L436-M438 HydrophobicContact CG-CG 4.2Å; L436-M438 HydrophobicContact CG-SD 4.12Å; M438-C446 VanDerWaalsContact CE-O 3.26Å; M438-C446 WeakPolarHBondContact CE-O 3.32Å; M438-I447 HydrophobicContact CB-CD1 4.29Å; M438-I447 HydrophobicContact CB-CG2 3.69Å; M438-V461 PolarHBondContact N-O 3.02Å; M438-V461 PolarHBondContact O-N 3.14Å; M438-L463 HydrophobicContact CB-CD1 3.68Å; M438-L463 HydrophobicContact CG-CD1 3.37Å; M438-L463 HydrophobicContact CG-CD2 3.6Å; M438-L463 HydrophobicContact CG-CG 4.12Å; M438-V481 HydrophobicContact CE-CG1 4.35Å; M438-V481 HydrophobicContact CE-CG2 3.88Å; M438-W493 HydrophobicContact CE-CZ2 4.47Å
439	F	97	Very high	92.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	156.7	175.4	47.4	-83.7	0	0	0	112.6	L379 Q394 L395 G396 L412 F426 T427 P460	L379-F439 HydrophobicContact CD2-CE1 4.24Å; L379-F439 HydrophobicContact CD2-CZ 3.87Å; Q394-F439 WeakPolarHBondContact O-CE2 3.37Å; L395-F439 VanDerWaalsContact C-CE2 3.44Å; G396-F439 VanDerWaalsContact N-CD2 3.26Å; L412-F439 HydrophobicContact CD1-CE1 4.45Å; F426-F439 CarbonylContact C-O 3.53Å; F426-F439 WeakPolarHBondContact CA-O 3.44Å; F426-F439 WeakPolarHBondContact CB-O 3.25Å; T427-F439 VanDerWaalsContact CB-CE2 3.47Å; T427-F439 HydrophobicContact CG2-CE1 4.03Å; T427-F439 HydrophobicContact CG2-CE2 3.83Å; T427-F439 HydrophobicContact CG2-CZ 3.47Å; T427-F439 VanDerWaalsContact CG2-CZ 3.47Å; T427-F439 PolarHBondContact N-O 3.12Å; T427-F439 PolarHBondContact O-N 3.01Å; F439-P460 HydrophobicContact CD1-CB 3.69Å; F439-P460 HydrophobicContact CD1-CG 3.57Å; F439-P460 HydrophobicContact CE1-CB 4.12Å; F439-P460 HydrophobicContact CE1-CG 3.78Å; F439-P460 HydrophobicContact CG-CB 4.49Å; F439-P460 HydrophobicContact CG-CG 4.13Å; F439-P460 HydrophobicContact CZ-CG 4.47Å
440	G	95.5	Very high	92.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	111.7	-150.4	-173.3	0	0	0	0	0	113.3	V392 G393 I457	V392-G440 CarbonylContact O-C 3.51Å; V392-G440 VanDerWaalsContact O-C 3.28Å; V392-G440 WeakPolarHBondContact O-CA 3.09Å; G393-G440 VanDerWaalsContact C-CA 3.48Å; G440-I457 PolarHBondContact N-O 2.92Å; G440-I457 PolarHBondContact O-N 3.34Å
441	S	93.6	Very high	91.2	Very high	26 Å²	26	34.6 Å²	34.6	18%	0.182	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	128.7	-174.3	-167.6	0	0	0	0	113.1	D425 Y443 N455	D425-S441 PolarHBondContact O-N 3.12Å; S441-Y443 WeakPolarHBondContact OG-CB 3.32Å; S441-Y443 PolarHBondContact OG-N 2.9Å; S441-N455 WeakPolarHBondContact CA-O 3.27Å; S441-N455 PolarHBondContact OG-O 3.09Å
442	D	92.4	Very high	90.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.196	C	C	.	.			trans	-99.7	19.9	168.8	-153.7	37.3	0	0	0	112.4	Y444 G445 C446 I447 R451 N455 I457	D442-Y444 VanDerWaalsContact C-N 3.33Å; D442-Y444 PolarHBondContact O-N 2.99Å; D442-G445 PolarHBondContact O-N 3.2Å; D442-G445 WeakPolarHBondContact OD1-CA 3.19Å; D442-C446 PolarHBondContact OD1-N 3.16Å; D442-C446 VanDerWaalsContact OD1-N 3.17Å; D442-I447 HydrophobicContact CB-CB 4.12Å; D442-I447 HydrophobicContact CB-CG1 3.76Å; D442-I447 WeakPolarHBondContact OD1-CA 3.44Å; D442-I447 VanDerWaalsContact OD1-CB 3.28Å; D442-I447 WeakPolarHBondContact OD1-CB 3.39Å; D442-I447 PolarHBondContact OD1-N 3.22Å; D442-R451 PolarHBondContact O-NE 3.25Å; D442-R451 VanDerWaalsContact OD2-CA 3.31Å; D442-R451 WeakPolarHBondContact OD2-CA 3.42Å; D442-R451 WeakPolarHBondContact OD2-CG 3.23Å; D442-R451 PolarHBondContact OD2-N 3.06Å; D442-N455 PolarHBondContact N-O 3.2Å; D442-I457 HydrophobicContact CB-CD1 4.31Å
443	Y	90.6	Very high	90.2	Very high	139 Å²	139	45.4 Å²	45.4	55%	0.545	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-43.7	-177.6	-179	-95.2	0	0	0	112.6	S441 R451	S441-Y443 WeakPolarHBondContact OG-CB 3.32Å; S441-Y443 PolarHBondContact OG-N 2.9Å; Y443-R451 PolarHBondContact O-NH2 3.32Å
444	Y	89.8	Confident	90.3	Very high	68 Å²	68	43.6 Å²	43.6	27%	0.267	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	10.5	171.9	-69.1	-76.5	0	0	0	113.6	D442 C446 N479 G494 C495	D442-Y444 VanDerWaalsContact C-N 3.33Å; D442-Y444 PolarHBondContact O-N 2.99Å; Y444-C446 VanDerWaalsContact C-N 3.3Å; Y444-N479 HydrophobicContact CD2-CB 3.58Å; Y444-N479 WeakPolarHBondContact CD2-OD1 3.14Å; Y444-N479 HydrophobicContact CE2-CB 4.01Å; Y444-N479 VanDerWaalsContact CE2-ND2 3.31Å; Y444-N479 WeakPolarHBondContact CE2-ND2 3.41Å; Y444-N479 HydrophobicContact CG-CB 4Å; Y444-G494 CarbonylContact O-C 3.56Å; Y444-G494 WeakPolarHBondContact O-CA 3.24Å; Y444-C495 HydrophobicContact CD1-CB 3.81Å; Y444-C495 HydrophobicContact CE1-CB 4.42Å; Y444-C495 HydrophobicContact CG-CB 4.08Å
445	G	91.8	Very high	90	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	76.4	13.8	-173.7	0	0	0	0	0	114.4	D442 I447 G448 W493	D442-G445 PolarHBondContact O-N 3.2Å; D442-G445 WeakPolarHBondContact OD1-CA 3.19Å; G445-I447 PolarHBondContact O-N 3.44Å; G445-I447 VanDerWaalsContact O-N 3.17Å; G445-G448 PolarHBondContact O-N 3.37Å; G445-W493 VanDerWaalsContact O-CD1 3.25Å
446	C	93.4	Very high	89.9	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.02	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.6	-175.2	-64	0	0	0	0	114.7	F426 M438 D442 Y444 G448 N479 V481 W493	F426-C446 HydrophobicContact CD1-CB 3.76Å; F426-C446 HydrophobicContact CD2-CB 4.33Å; F426-C446 HydrophobicContact CE1-CB 3.73Å; F426-C446 HydrophobicContact CE2-CB 4.3Å; F426-C446 HydrophobicContact CG-CB 4.08Å; F426-C446 HydrophobicContact CZ-CB 4.01Å; M438-C446 VanDerWaalsContact CE-O 3.26Å; M438-C446 WeakPolarHBondContact CE-O 3.32Å; D442-C446 PolarHBondContact OD1-N 3.16Å; D442-C446 VanDerWaalsContact OD1-N 3.17Å; Y444-C446 VanDerWaalsContact C-N 3.3Å; C446-G448 VanDerWaalsContact C-N 3.29Å; C446-N479 PolarHBondContact SG-O 3.43Å; C446-V481 HydrophobicContact CB-CG2 4.44Å; C446-V481 WeakPolarHBondContact O-CG2 3.4Å; C446-W493 PolarHBondContact O-NE1 2.9Å
447	I	93.7	Very high	89.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-19.7	179.6	-50.9	-57.2	0	0	0	110.7	F426 M438 D442 G445 V449 I457 L463	F426-I447 HydrophobicContact CB-CD1 3.82Å; F426-I447 HydrophobicContact CG-CD1 4.42Å; M438-I447 HydrophobicContact CB-CD1 4.29Å; M438-I447 HydrophobicContact CB-CG2 3.69Å; D442-I447 HydrophobicContact CB-CB 4.12Å; D442-I447 HydrophobicContact CB-CG1 3.76Å; D442-I447 WeakPolarHBondContact OD1-CA 3.44Å; D442-I447 VanDerWaalsContact OD1-CB 3.28Å; D442-I447 WeakPolarHBondContact OD1-CB 3.39Å; D442-I447 PolarHBondContact OD1-N 3.22Å; G445-I447 PolarHBondContact O-N 3.44Å; G445-I447 VanDerWaalsContact O-N 3.17Å; I447-V449 HydrophobicContact CB-CG2 4.28Å; I447-V449 HydrophobicContact CG2-CG1 4.28Å; I447-V449 HydrophobicContact CG2-CG2 4.03Å; I447-I457 HydrophobicContact CB-CD1 3.95Å; I447-I457 HydrophobicContact CG1-CD1 4.07Å; I447-I457 HydrophobicContact CG2-CD1 3.59Å; I447-L463 WeakPolarHBondContact O-CD1 3.46Å; I447-L463 WeakPolarHBondContact O-CD2 3.2Å
448	G	89.3	Confident	89.6	Confident	10 Å²	10	50.4 Å²	50.4	10%	0.103	25%	0.245	C	C	.	.	S	Bend	trans	77.4	22	171.7	0	0	0	0	0	114.6	G445 C446 S510	G445-G448 PolarHBondContact O-N 3.37Å; C446-G448 VanDerWaalsContact C-N 3.29Å; G448-S510 CarbonylContact C-O 3.53Å; G448-S510 VanDerWaalsContact C-O 3.31Å; G448-S510 WeakPolarHBondContact CA-O 3.36Å
449	V	87.6	Confident	89.5	Confident	25 Å²	25	54.4 Å²	54.4	15%	0.152	26%	0.264	C	S	.	.	S	Bend	trans	-112.5	27.3	-178.1	-61.7	0	0	0	0	112.6	I447 R451 E452 I457 V461 L463	I447-V449 HydrophobicContact CB-CG2 4.28Å; I447-V449 HydrophobicContact CG2-CG1 4.28Å; I447-V449 HydrophobicContact CG2-CG2 4.03Å; V449-R451 PolarHBondContact O-N 2.7Å; V449-E452 PolarHBondContact O-N 2.8Å; V449-I457 HydrophobicContact CG2-CD1 3.57Å; V449-V461 HydrophobicContact CG1-CG1 4.34Å; V449-L463 HydrophobicContact CG1-CD1 4.31Å
450	E	83.7	Confident	89.5	Confident	122 Å²	122	55 Å²	55	57%	0.57	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	26.9	176.4	-55.6	-164.5	165.3	0	0	114.9	E452 S510 S511	E450-E452 PolarHBondContact O-N 3.42Å; E450-S510 PolarHBondContact N-O 3.48Å; E450-S510 VanDerWaalsContact N-O 3.08Å; E450-S511 WeakPolarHBondContact OE1-CB 3.4Å; E450-S511 PolarHBondContact OE1-OG 2.84Å
451	R	74.7	Confident	89.5	Confident	112 Å²	112	56.9 Å²	56.9	42%	0.423	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	17.5	-173.4	-57.1	-177.7	-178.4	126.4	-6.4	115.4	D442 Y443 V449 M453 G454	D442-R451 PolarHBondContact O-NE 3.25Å; D442-R451 VanDerWaalsContact OD2-CA 3.31Å; D442-R451 WeakPolarHBondContact OD2-CA 3.42Å; D442-R451 WeakPolarHBondContact OD2-CG 3.23Å; D442-R451 PolarHBondContact OD2-N 3.06Å; Y443-R451 PolarHBondContact O-NH2 3.32Å; V449-R451 PolarHBondContact O-N 2.7Å; R451-M453 PolarHBondContact O-N 3.41Å; R451-G454 PolarHBondContact O-N 3.43Å
452	E	78.8	Confident	89.6	Confident	167 Å²	167	57.9 Å²	57.9	78%	0.78	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-35.3	178.8	-69.4	-160.9	134.7	0	0	112.9	V449 E450 G454	V449-E452 PolarHBondContact O-N 2.8Å; E450-E452 PolarHBondContact O-N 3.42Å; E452-G454 VanDerWaalsContact C-N 3.33Å
453	M	80	Confident	89.7	Confident	127 Å²	127	58 Å²	58	63%	0.626	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	5.1	179.7	-60.5	-67.9	178.4	0	0	113.4	R451 I457	R451-M453 PolarHBondContact O-N 3.41Å; M453-I457 HydrophobicContact CB-CD1 3.86Å; M453-I457 HydrophobicContact CB-CG1 3.97Å
454	G	84.6	Confident	89.8	Confident	31 Å²	31	56.2 Å²	56.2	32%	0.32	29%	0.286	S	S	.	.			trans	82	-177	-174.7	0	0	0	0	0	114.4	R451 E452 E456	R451-G454 PolarHBondContact O-N 3.43Å; E452-G454 VanDerWaalsContact C-N 3.33Å; G454-E456 VanDerWaalsContact C-N 3.34Å; G454-E456 PolarHBondContact O-N 2.88Å
455	N	86.1	Confident	89.9	Confident	87 Å²	87	57 Å²	57	47%	0.465	29%	0.291	S	S	.	.	S	Bend	trans	-79.4	-8.3	-169.2	-64.3	-19.7	0	0	0	115.2	S441 D442	S441-N455 WeakPolarHBondContact CA-O 3.27Å; S441-N455 PolarHBondContact OG-O 3.09Å; D442-N455 PolarHBondContact N-O 3.2Å
456	E	91.8	Very high	90.1	Very high	82 Å²	82	57.1 Å²	57.1	38%	0.383	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	111.4	-175.6	-62.4	-171.7	-160	0	0	110.3	V392 Q400 G454 L458	V392-E456 HydrophobicContact CB-CG 4.07Å; V392-E456 HydrophobicContact CG1-CG 4.44Å; Q400-E456 PolarHBondContact NE2-OE2 3.33Å; G454-E456 VanDerWaalsContact C-N 3.34Å; G454-E456 PolarHBondContact O-N 2.88Å; E456-L458 HydrophobicContact CB-CD2 4.29Å
457	I	94.6	Very high	89.9	Confident	8 Å²	8	62 Å²	62	4%	0.041	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	93.8	-174.6	-69.5	170.1	0	0	0	107.7	G440 D442 I447 V449 M453 E459 V461	G440-I457 PolarHBondContact N-O 2.92Å; G440-I457 PolarHBondContact O-N 3.34Å; D442-I457 HydrophobicContact CB-CD1 4.31Å; I447-I457 HydrophobicContact CB-CD1 3.95Å; I447-I457 HydrophobicContact CG1-CD1 4.07Å; I447-I457 HydrophobicContact CG2-CD1 3.59Å; V449-I457 HydrophobicContact CG2-CD1 3.57Å; M453-I457 HydrophobicContact CB-CD1 3.86Å; M453-I457 HydrophobicContact CB-CG1 3.97Å; I457-E459 VanDerWaalsContact C-N 3.31Å; I457-E459 VanDerWaalsContact CG2-O 3.28Å; I457-E459 WeakPolarHBondContact CG2-O 3.17Å; I457-E459 PolarHBondContact O-N 3.43Å; I457-V461 HydrophobicContact CG2-CB 4.36Å; I457-V461 HydrophobicContact CG2-CG2 3.6Å
458	L	95	Very high	89.5	Confident	52 Å²	52	70.6 Å²	70.6	27%	0.272	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-16.5	-168.4	-52.6	-176.4	0	0	0	114.2	G393 G396 H397 G398 Q400 E456	G393-L458 VanDerWaalsContact CA-CD2 3.49Å; G396-L458 CarbonylContact C-O 3.52Å; G396-L458 WeakPolarHBondContact CA-O 3.21Å; H397-L458 PolarHBondContact N-O 3.38Å; G398-L458 WeakPolarHBondContact CA-O 3.33Å; G398-L458 PolarHBondContact N-O 2.87Å; Q400-L458 HydrophobicContact CG-CD2 4.09Å; E456-L458 HydrophobicContact CB-CD2 4.29Å
459	E	94.9	Very high	89.7	Confident	83 Å²	83	74.4 Å²	74.4	39%	0.388	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	150.1	177.1	-70.4	-167.6	118.6	0	0	111	K411 I457 V461	K411-E459 HydrophobicContact CG-CB 4.34Å; K411-E459 IonicContact NZ-OE1 3.48Å; K411-E459 PolarHBondContact NZ-OE1 3.22Å; K411-E459 IonicContact NZ-OE2 2.73Å; K411-E459 PolarHBondContact NZ-OE2 2.93Å; I457-E459 VanDerWaalsContact C-N 3.31Å; I457-E459 VanDerWaalsContact CG2-O 3.28Å; I457-E459 WeakPolarHBondContact CG2-O 3.17Å; I457-E459 PolarHBondContact O-N 3.43Å; E459-V461 PolarHBondContact O-N 3.48Å
460	P	97	Very high	89.9	Confident	13 Å²	13	80.8 Å²	80.8	8%	0.084	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	119.4	174.3	-25	33.2	0	0	0	114.2	G396 V409 K411 L412 Y437 F439	G396-P460 WeakPolarHBondContact O-CD 3.33Å; V409-P460 HydrophobicContact CG1-CG 3.6Å; K411-P460 HydrophobicContact CB-CG 4.45Å; L412-P460 HydrophobicContact CD1-CB 4.08Å; L412-P460 HydrophobicContact CD1-CG 3.86Å; L412-P460 HydrophobicContact CD2-CB 3.82Å; L412-P460 HydrophobicContact CD2-CG 4.33Å; L412-P460 HydrophobicContact CG-CB 3.89Å; L412-P460 HydrophobicContact CG-CG 3.83Å; Y437-P460 HydrophobicContact CD1-CB 4.37Å; F439-P460 HydrophobicContact CD1-CB 3.69Å; F439-P460 HydrophobicContact CD1-CG 3.57Å; F439-P460 HydrophobicContact CE1-CB 4.12Å; F439-P460 HydrophobicContact CE1-CG 3.78Å; F439-P460 HydrophobicContact CG-CB 4.49Å; F439-P460 HydrophobicContact CG-CG 4.13Å; F439-P460 HydrophobicContact CZ-CG 4.47Å
461	V	95.7	Very high	90.5	Very high	40 Å²	40	75 Å²	75	24%	0.242	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	138.7	175.4	175.5	0	0	0	0	110.1	Y437 M438 V449 I457 E459	Y437-V461 CarbonylContact C-O 3.22Å; Y437-V461 VanDerWaalsContact CA-O 3.25Å; Y437-V461 WeakPolarHBondContact CA-O 3.23Å; M438-V461 PolarHBondContact N-O 3.02Å; M438-V461 PolarHBondContact O-N 3.14Å; V449-V461 HydrophobicContact CG1-CG1 4.34Å; I457-V461 HydrophobicContact CG2-CB 4.36Å; I457-V461 HydrophobicContact CG2-CG2 3.6Å; E459-V461 PolarHBondContact O-N 3.48Å
462	L	95.4	Very high	91.5	Very high	46 Å²	46	74.5 Å²	74.5	24%	0.241	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	129.5	173.3	175.7	58.8	0	0	0	110.3	Q435 Y437 V464 E467	Q435-L462 HydrophobicContact CB-CD1 3.89Å; Q435-L462 HydrophobicContact CG-CD1 4.3Å; Y437-L462 HydrophobicContact CD1-CB 4.11Å; Y437-L462 HydrophobicContact CD2-CD1 4.33Å; Y437-L462 HydrophobicContact CE1-CB 3.67Å; Y437-L462 HydrophobicContact CE1-CD1 4.39Å; Y437-L462 HydrophobicContact CE2-CD1 3.93Å; L462-V464 PolarHBondContact O-N 3.32Å; L462-E467 HydrophobicContact CD2-CG 4.42Å; L462-E467 VanDerWaalsContact CD2-OE1 3.27Å; L462-E467 WeakPolarHBondContact CD2-OE1 3.49Å
463	L	95.1	Very high	92.4	Very high	4 Å²	4	68.4 Å²	68.4	2%	0.021	33%	0.329	C	S	.	.			trans	-83.9	94.2	173.9	-87.4	55.1	0	0	0	110	L436 M438 I447 V449 F465 F466 W493	L436-L463 HydrophobicContact CD2-CD2 3.78Å; L436-L463 HydrophobicContact CG-CD2 4.2Å; L436-L463 PolarHBondContact O-N 3.18Å; M438-L463 HydrophobicContact CB-CD1 3.68Å; M438-L463 HydrophobicContact CG-CD1 3.37Å; M438-L463 HydrophobicContact CG-CD2 3.6Å; M438-L463 HydrophobicContact CG-CG 4.12Å; I447-L463 WeakPolarHBondContact O-CD1 3.46Å; I447-L463 WeakPolarHBondContact O-CD2 3.2Å; V449-L463 HydrophobicContact CG1-CD1 4.31Å; L463-F465 PolarHBondContact O-N 2.94Å; L463-F465 VanDerWaalsContact O-N 3.09Å; L463-F466 HydrophobicContact CB-CD2 3.99Å; L463-F466 HydrophobicContact CD2-CD2 4.18Å; L463-F466 HydrophobicContact CD2-CE2 4.21Å; L463-F466 PolarHBondContact O-N 3.21Å; L463-W493 HydrophobicContact CD2-CH2 4.35Å; L463-W493 HydrophobicContact CD2-CZ2 3.85Å
464	V	91.9	Very high	93.3	Very high	100 Å²	100	62.4 Å²	62.4	61%	0.606	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-51.7	-33.3	-179.6	-177.1	0	0	0	0	112.5	L462 F466 E467	L462-V464 PolarHBondContact O-N 3.32Å; V464-F466 PolarHBondContact O-N 3.21Å; V464-E467 WeakPolarHBondContact O-CB 3.12Å; V464-E467 PolarHBondContact O-N 2.85Å
465	F	93.6	Very high	94	Very high	85 Å²	85	61.8 Å²	61.8	37%	0.373	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-51.1	-28.6	173.6	-175.8	-86.8	0	0	0	114.1	L463 R469 Y491 P512	L463-F465 PolarHBondContact O-N 2.94Å; L463-F465 VanDerWaalsContact O-N 3.09Å; F465-R469 WeakPolarHBondContact O-CD 3.47Å; F465-Y491 AromaticContact CE1-CD1 3.74Å; F465-Y491 HydrophobicContact CE1-CD1 3.74Å; F465-Y491 AromaticContact CE1-CE1 3.74Å; F465-Y491 HydrophobicContact CE1-CE1 3.74Å; F465-Y491 HydrophobicContact CE1-CG 4.31Å; F465-Y491 AromaticContact CZ-CD1 3.94Å; F465-Y491 HydrophobicContact CZ-CD1 3.94Å; F465-Y491 AromaticContact CZ-CE1 3.72Å; F465-Y491 HydrophobicContact CZ-CE1 3.72Å; F465-P512 HydrophobicContact CD1-CB 3.83Å; F465-P512 HydrophobicContact CD1-CG 3.86Å; F465-P512 HydrophobicContact CE1-CB 3.69Å; F465-P512 HydrophobicContact CE1-CG 4.24Å; F465-P512 HydrophobicContact CG-CB 4.44Å; F465-P512 HydrophobicContact CG-CG 4.13Å; F465-P512 HydrophobicContact CZ-CB 4.16Å; F465-P512 WeakPolarHBondContact CZ-O 3.34Å
466	F	95	Very high	94.5	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.009	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-98.8	0.3	-178.7	-70.3	-72	0	0	0	115	L436 L463 V464 E468 R469 V471 V483 T485 Y491 W493 P512	L436-F466 HydrophobicContact CB-CD2 4.45Å; L436-F466 HydrophobicContact CD2-CD2 3.81Å; L436-F466 HydrophobicContact CD2-CE2 3.87Å; L463-F466 HydrophobicContact CB-CD2 3.99Å; L463-F466 HydrophobicContact CD2-CD2 4.18Å; L463-F466 HydrophobicContact CD2-CE2 4.21Å; L463-F466 PolarHBondContact O-N 3.21Å; V464-F466 PolarHBondContact O-N 3.21Å; F466-E468 PolarHBondContact O-N 3.46Å; F466-R469 HydrophobicContact CD1-CB 3.97Å; F466-R469 CarbonylContact O-C 3.56Å; F466-R469 VanDerWaalsContact O-C 3.22Å; F466-R469 PolarHBondContact O-N 3.44Å; F466-V471 HydrophobicContact CB-CG2 3.89Å; F466-V471 HydrophobicContact CD1-CG2 3.61Å; F466-V471 HydrophobicContact CE1-CG2 4.29Å; F466-V471 HydrophobicContact CG-CG2 3.76Å; F466-V483 HydrophobicContact CD1-CG1 4.26Å; F466-V483 HydrophobicContact CE1-CB 4.24Å; F466-V483 HydrophobicContact CE1-CG1 3.6Å; F466-V483 HydrophobicContact CZ-CB 4.06Å; F466-V483 HydrophobicContact CZ-CG1 3.92Å; F466-V483 HydrophobicContact CZ-CG2 4.16Å; F466-T485 HydrophobicContact CD1-CG2 4.32Å; F466-T485 HydrophobicContact CE1-CG2 4.22Å; F466-Y491 AromaticContact CE1-CD2 3.92Å; F466-Y491 HydrophobicContact CE1-CD2 3.92Å; F466-Y491 HydrophobicContact CE1-CG 4.13Å; F466-Y491 HydrophobicContact CZ-CD2 4.5Å; F466-Y491 HydrophobicContact CZ-CG 4.27Å; F466-W493 AromaticContact CE2-CH2 3.66Å; F466-W493 HydrophobicContact CE2-CH2 3.66Å; F466-W493 HydrophobicContact CE2-CZ2 4.49Å; F466-W493 AromaticContact CE2-CZ3 3.92Å; F466-W493 HydrophobicContact CE2-CZ3 3.92Å; F466-W493 AromaticContact CZ-CH2 3.98Å; F466-W493 HydrophobicContact CZ-CH2 3.98Å; F466-W493 AromaticContact CZ-CZ3 3.79Å; F466-W493 HydrophobicContact CZ-CZ3 3.79Å; F466-P512 HydrophobicContact CE2-CB 3.92Å; F466-P512 HydrophobicContact CE2-CG 3.6Å; F466-P512 HydrophobicContact CZ-CB 3.74Å; F466-P512 HydrophobicContact CZ-CG 3.98Å
467	E	88.4	Confident	94.7	Very high	107 Å²	107	54 Å²	54	50%	0.5	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-44	177.3	-72.7	178	-163.2	0	0	112	L462 V464 R469	L462-E467 HydrophobicContact CD2-CG 4.42Å; L462-E467 VanDerWaalsContact CD2-OE1 3.27Å; L462-E467 WeakPolarHBondContact CD2-OE1 3.49Å; V464-E467 WeakPolarHBondContact O-CB 3.12Å; V464-E467 PolarHBondContact O-N 2.85Å; E467-R469 VanDerWaalsContact C-N 3.29Å
468	E	86.8	Confident	94.7	Very high	180 Å²	180	54.9 Å²	54.9	84%	0.841	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-5.8	171.7	-61.5	-171.4	158.1	0	0	113.4	F466	F466-E468 PolarHBondContact O-N 3.46Å
469	R	93.2	Very high	94.7	Very high	90 Å²	90	54.5 Å²	54.5	34%	0.34	26%	0.255	S	S	.	.	S	Bend	trans	-128.4	56.3	-168.8	-50	-179.1	-174.2	-71.5	-20.1	112.3	F465 F466 E467 V471 T485 Y491	F465-R469 WeakPolarHBondContact O-CD 3.47Å; F466-R469 HydrophobicContact CD1-CB 3.97Å; F466-R469 CarbonylContact O-C 3.56Å; F466-R469 VanDerWaalsContact O-C 3.22Å; F466-R469 PolarHBondContact O-N 3.44Å; E467-R469 VanDerWaalsContact C-N 3.29Å; R469-V471 PolarHBondContact O-N 3.39Å; R469-T485 HydrophobicContact CB-CG2 4.29Å; R469-T485 WeakPolarHBondContact O-CG2 3.43Å; R469-Y491 PolarHBondContact NH1-OH 3.3Å
470	R	91.9	Very high	94.9	Very high	159 Å²	159	50.6 Å²	50.6	60%	0.6	24%	0.237	S	C	*	.			trans	-29.3	117	178.9	-67.7	-170	-172.4	-174	2.7	113.9	D434 T485 Q486	D434-R470 HydrophobicContact CB-CB 3.64Å; D434-R470 HydrophobicContact CB-CG 4.06Å; R470-T485 CarbonylContact O-C 3.12Å; R470-T485 VanDerWaalsContact O-CA 3.3Å; R470-T485 WeakPolarHBondContact O-CA 3.29Å; R470-T485 WeakPolarHBondContact O-CB 3.37Å; R470-Q486 HydrophobicContact CB-CB 4.35Å; R470-Q486 HydrophobicContact CB-CG 3.91Å; R470-Q486 PolarHBondContact O-N 2.81Å
471	V	97	Very high	94.9	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	117.2	-176.5	175.1	0	0	0	0	111.4	R418 V430 D434 L436 F466 R469 V483	R418-V471 PolarHBondContact NH2-O 3.13Å; R418-V471 VanDerWaalsContact NH2-O 3.1Å; V430-V471 HydrophobicContact CG1-CB 4.25Å; V430-V471 HydrophobicContact CG1-CG1 4.07Å; V430-V471 HydrophobicContact CG2-CB 4.49Å; V430-V471 HydrophobicContact CG2-CG1 3.67Å; D434-V471 PolarHBondContact O-N 3.17Å; L436-V471 HydrophobicContact CB-CG2 4.05Å; F466-V471 HydrophobicContact CB-CG2 3.89Å; F466-V471 HydrophobicContact CD1-CG2 3.61Å; F466-V471 HydrophobicContact CE1-CG2 4.29Å; F466-V471 HydrophobicContact CG-CG2 3.76Å; R469-V471 PolarHBondContact O-N 3.39Å; V471-V483 HydrophobicContact CB-CG1 4.38Å; V471-V483 HydrophobicContact CG1-CG1 3.91Å; V471-V483 HydrophobicContact CG2-CG1 3.79Å
472	R	95.7	Very high	95.1	Very high	102 Å²	102	48 Å²	48	39%	0.385	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-48.2	175.4	176.4	178.4	161.1	115.7	-9.4	111	R418 L484 Q486 S524	R418-R472 PolarHBondContact NH1-O 2.82Å; R418-R472 PolarHBondContact NH2-O 2.9Å; R472-L484 WeakPolarHBondContact CA-O 3.28Å; R472-L484 WeakPolarHBondContact CB-O 3.22Å; R472-L484 PolarHBondContact N-O 2.86Å; R472-Q486 HydrophobicContact CB-CG 4.18Å; R472-S524 PolarHBondContact NH2-O 2.76Å; R472-S524 VanDerWaalsContact NH2-O 3.14Å
473	Q	97.7	Very high	95.2	Very high	38 Å²	38	45.9 Å²	45.9	18%	0.178	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	142.5	-177.9	-165.7	-157.4	-16	0	0	110.8	L484 S525 V526	Q473-L484 HydrophobicContact CB-CB 4.38Å; Q473-L484 PolarHBondContact N-O 2.86Å; Q473-L484 PolarHBondContact O-N 2.77Å; Q473-S525 VanDerWaalsContact OE1-CA 3.22Å; Q473-S525 VanDerWaalsContact OE1-CB 3.28Å; Q473-V526 PolarHBondContact NE2-O 2.74Å
474	V	98.3	Very high	95.3	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	150.9	164.7	66.7	0	0	0	0	110.8	Q419 A421 A428 V430 L436 V481 V482 V483	Q419-V474 PolarHBondContact NE2-O 3.06Å; Q419-V474 VanDerWaalsContact OE1-N 3.08Å; A421-V474 HydrophobicContact CB-CG1 4.05Å; A428-V474 HydrophobicContact CB-CG1 4.04Å; A428-V474 HydrophobicContact CB-CG2 3.87Å; V430-V474 HydrophobicContact CG2-CB 4Å; V430-V474 HydrophobicContact CG2-CG1 3.59Å; L436-V474 HydrophobicContact CD1-CB 4.32Å; L436-V474 HydrophobicContact CD1-CG1 4.42Å; L436-V474 HydrophobicContact CD1-CG2 4.26Å; V474-V481 HydrophobicContact CG2-CG1 3.77Å; V474-V482 CarbonylContact C-O 3.52Å; V474-V483 HydrophobicContact CB-CG2 4.23Å; V474-V483 HydrophobicContact CG2-CG2 3.88Å
475	S	97.9	Very high	95.6	Very high	19 Å²	19	41 Å²	41	13%	0.133	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	142.9	167.6	-163.6	0	0	0	0	110.2	V482 C528	S475-V482 PolarHBondContact N-O 2.87Å; S475-V482 PolarHBondContact O-N 3.42Å; S475-C528 PolarHBondContact OG-N 2.93Å
476	C	97.6	Very high	95.5	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.034	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132.4	-173.7	-58.7	0	0	0	0	109.7	A421 F426 A428 C528	A421-C476 HydrophobicContact CB-CB 4.27Å; F426-C476 HydrophobicContact CE2-CB 3.91Å; F426-C476 HydrophobicContact CZ-CB 3.98Å; A428-C476 VanDerWaalsContact CB-SG 3.53Å; C476-C528 VanDerWaalsContact C-CB 3.47Å
477	G	95.9	Very high	95.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.211	C	C	.	.			trans	-95.5	-164.7	165.6	0	0	0	0	0	111.6	G423 N479 H480 G529 R706	G423-G477 WeakPolarHBondContact CA-O 3.25Å; G477-N479 PolarHBondContact O-N 3.01Å; G477-H480 PolarHBondContact N-O 2.82Å; G477-G529 WeakPolarHBondContact CA-O 3.38Å; G477-R706 VanDerWaalsContact C-NH2 3.32Å
478	D	94.5	Very high	95.4	Very high	27 Å²	27	43.2 Å²	43.2	14%	0.144	21%	0.206	C	C	.	.	S	Bend	trans	-61.9	-49.9	-177.6	-70.1	-9.3	0	0	0	110.1	A424 S530 R706	A424-D478 HydrophobicContact CB-CB 4.29Å; A424-D478 VanDerWaalsContact CB-O 3.29Å; A424-D478 WeakPolarHBondContact CB-O 3.42Å; A424-D478 PolarHBondContact N-O 2.93Å; A424-D478 VanDerWaalsContact N-O 3.09Å; D478-S530 PolarHBondContact N-O 2.98Å; D478-S530 VanDerWaalsContact N-O 3.09Å; D478-S530 WeakPolarHBondContact OD2-CA 3.4Å; D478-S530 WeakPolarHBondContact OD2-CB 3.44Å; D478-R706 VanDerWaalsContact N-NH2 3.16Å; D478-R706 IonicContact OD1-CZ 2.74Å; D478-R706 IonicContact OD1-NE 3.8Å; D478-R706 PolarHBondContact OD1-NE 2.82Å; D478-R706 IonicContact OD1-NH2 3.7Å; D478-R706 PolarHBondContact OD1-NH2 3.4Å
479	N	96.1	Very high	95.8	Very high	44 Å²	44	36.1 Å²	36.1	24%	0.235	18%	0.176	C	C	.	.	S	Bend	trans	-131.5	29.2	-176.9	-63	-38.5	0	0	0	113.4	Y444 C446 G477 C495	Y444-N479 HydrophobicContact CD2-CB 3.58Å; Y444-N479 WeakPolarHBondContact CD2-OD1 3.14Å; Y444-N479 HydrophobicContact CE2-CB 4.01Å; Y444-N479 VanDerWaalsContact CE2-ND2 3.31Å; Y444-N479 WeakPolarHBondContact CE2-ND2 3.41Å; Y444-N479 HydrophobicContact CG-CB 4Å; C446-N479 PolarHBondContact SG-O 3.43Å; G477-N479 PolarHBondContact O-N 3.01Å; N479-C495 HydrophobicContact CB-CB 3.89Å; N479-C495 VanDerWaalsContact O-CB 3.24Å; N479-C495 WeakPolarHBondContact O-CB 3.34Å; N479-C495 PolarHBondContact O-N 2.86Å
480	H	97.6	Very high	96	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	159	178.3	66.4	-75.2	0	0	0	112.5	G477 W493 R500 L501 S530 T533	G477-H480 PolarHBondContact N-O 2.82Å; H480-W493 WeakPolarHBondContact CA-O 3.22Å; H480-R500 HydrophobicContact CB-CG 4.41Å; H480-R500 WeakPolarHBondContact ND1-CD 3.49Å; H480-L501 HydrophobicContact CB-CD2 3.75Å; H480-S530 PolarHBondContact CE1-O 2.61Å; H480-T533 PolarHBondContact NE2-OG1 3.44Å
481	V	98.3	Very high	96.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.1	-177.8	-170	0	0	0	0	109.9	F426 M438 C446 V474 S492 W493	F426-V481 HydrophobicContact CE2-CG2 3.5Å; F426-V481 VanDerWaalsContact CE2-CG2 3.5Å; F426-V481 HydrophobicContact CZ-CG2 3.67Å; M438-V481 HydrophobicContact CE-CG1 4.35Å; M438-V481 HydrophobicContact CE-CG2 3.88Å; C446-V481 HydrophobicContact CB-CG2 4.44Å; C446-V481 WeakPolarHBondContact O-CG2 3.4Å; V474-V481 HydrophobicContact CG2-CG1 3.77Å; V481-S492 VanDerWaalsContact O-CA 3.29Å; V481-S492 WeakPolarHBondContact O-CA 3.45Å; V481-W493 HydrophobicContact CB-CD2 4.08Å; V481-W493 HydrophobicContact CB-CE3 4.38Å; V481-W493 HydrophobicContact CB-CH2 4.12Å; V481-W493 HydrophobicContact CB-CZ2 3.77Å; V481-W493 HydrophobicContact CB-CZ3 4.39Å; V481-W493 HydrophobicContact CG1-CH2 3.59Å; V481-W493 HydrophobicContact CG1-CZ2 3.56Å; V481-W493 HydrophobicContact CG1-CZ3 4.13Å; V481-W493 HydrophobicContact CG2-CZ2 4.3Å; V481-W493 PolarHBondContact N-O 2.59Å; V481-W493 PolarHBondContact O-N 3.1Å
482	V	98.4	Very high	96.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	132.2	173.9	-178	0	0	0	0	109.6	V474 S475 I490 Y491 V526 T533 F535	V474-V482 CarbonylContact C-O 3.52Å; S475-V482 PolarHBondContact N-O 2.87Å; S475-V482 PolarHBondContact O-N 3.42Å; V482-I490 HydrophobicContact CG1-CG2 4.01Å; V482-Y491 CarbonylContact C-O 3.54Å; V482-Y491 WeakPolarHBondContact CA-O 3.43Å; V482-V526 HydrophobicContact CG1-CB 4.19Å; V482-V526 HydrophobicContact CG1-CG1 4.16Å; V482-V526 HydrophobicContact CG1-CG2 4.33Å; V482-T533 HydrophobicContact CG1-CG2 4.49Å; V482-T533 HydrophobicContact CG2-CG2 3.93Å; V482-F535 HydrophobicContact CG1-CE1 4.01Å
483	V	98.5	Very high	96.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.4	-179	162	0	0	0	0	110	L436 F466 V471 V474 T485 I490 Y491 W493	L436-V483 HydrophobicContact CD2-CG2 3.8Å; F466-V483 HydrophobicContact CD1-CG1 4.26Å; F466-V483 HydrophobicContact CE1-CB 4.24Å; F466-V483 HydrophobicContact CE1-CG1 3.6Å; F466-V483 HydrophobicContact CZ-CB 4.06Å; F466-V483 HydrophobicContact CZ-CG1 3.92Å; F466-V483 HydrophobicContact CZ-CG2 4.16Å; V471-V483 HydrophobicContact CB-CG1 4.38Å; V471-V483 HydrophobicContact CG1-CG1 3.91Å; V471-V483 HydrophobicContact CG2-CG1 3.79Å; V474-V483 HydrophobicContact CB-CG2 4.23Å; V474-V483 HydrophobicContact CG2-CG2 3.88Å; V483-T485 HydrophobicContact CG1-CG2 4.01Å; V483-I490 WeakPolarHBondContact O-CA 3.46Å; V483-Y491 PolarHBondContact N-O 2.9Å; V483-Y491 PolarHBondContact O-N 3.02Å; V483-W493 HydrophobicContact CB-CH2 4.44Å; V483-W493 HydrophobicContact CB-CZ3 4.12Å; V483-W493 HydrophobicContact CG2-CH2 3.58Å; V483-W493 HydrophobicContact CG2-CZ3 3.73Å
484	L	98.1	Very high	96.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.1	164	178.8	64.7	0	0	0	108.2	R472 Q473 I490 I523 V526	R472-L484 WeakPolarHBondContact CA-O 3.28Å; R472-L484 WeakPolarHBondContact CB-O 3.22Å; R472-L484 PolarHBondContact N-O 2.86Å; Q473-L484 HydrophobicContact CB-CB 4.38Å; Q473-L484 PolarHBondContact N-O 2.86Å; Q473-L484 PolarHBondContact O-N 2.77Å; L484-I490 HydrophobicContact CD1-CD1 4.32Å; L484-I490 HydrophobicContact CD1-CG1 3.82Å; L484-I523 HydrophobicContact CD1-CB 4.45Å; L484-I523 HydrophobicContact CD1-CG2 4.45Å; L484-V526 HydrophobicContact CB-CG1 4.21Å; L484-V526 HydrophobicContact CB-CG2 4.34Å
485	T	97.1	Very high	96.4	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	163.6	177	56.4	0	0	0	0	111.7	F466 R469 R470 V483 N487 G488 S489 Y491	F466-T485 HydrophobicContact CD1-CG2 4.32Å; F466-T485 HydrophobicContact CE1-CG2 4.22Å; R469-T485 HydrophobicContact CB-CG2 4.29Å; R469-T485 WeakPolarHBondContact O-CG2 3.43Å; R470-T485 CarbonylContact O-C 3.12Å; R470-T485 VanDerWaalsContact O-CA 3.3Å; R470-T485 WeakPolarHBondContact O-CA 3.29Å; R470-T485 WeakPolarHBondContact O-CB 3.37Å; V483-T485 HydrophobicContact CG1-CG2 4.01Å; T485-N487 PolarHBondContact O-N 3.34Å; T485-N487 PolarHBondContact OG1-OD1 3.33Å; T485-G488 PolarHBondContact O-N 2.98Å; T485-S489 PolarHBondContact N-O 2.84Å; T485-S489 WeakPolarHBondContact OG1-CB 3.49Å; T485-S489 PolarHBondContact OG1-N 2.9Å; T485-S489 PolarHBondContact OG1-O 3.19Å; T485-Y491 HydrophobicContact CG2-CD2 4.04Å; T485-Y491 HydrophobicContact CG2-CE2 4.02Å
486	Q	91.8	Very high	96.2	Very high	90 Å²	90	17.4 Å²	17.4	42%	0.421	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.2	-178.4	-65.4	-70.7	20.6	0	0	113.7	D434 R470 R472 G488	D434-Q486 PolarHBondContact OD1-NE2 3.23Å; D434-Q486 VanDerWaalsContact OD2-CG 3.3Å; D434-Q486 WeakPolarHBondContact OD2-CG 3.46Å; D434-Q486 PolarHBondContact OD2-NE2 2.93Å; R470-Q486 HydrophobicContact CB-CB 4.35Å; R470-Q486 HydrophobicContact CB-CG 3.91Å; R470-Q486 PolarHBondContact O-N 2.81Å; R472-Q486 HydrophobicContact CB-CG 4.18Å; Q486-G488 VanDerWaalsContact C-N 3.32Å
487	N	89.8	Confident	96.1	Very high	115 Å²	115	21.2 Å²	21.2	62%	0.615	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	11.3	174.3	70.8	5.1	0	0	0	114	T485 S489	T485-N487 PolarHBondContact O-N 3.34Å; T485-N487 PolarHBondContact OG1-OD1 3.33Å; N487-S489 VanDerWaalsContact C-N 3.27Å; N487-S489 PolarHBondContact O-N 2.88Å; N487-S489 VanDerWaalsContact OD1-CB 3.31Å; N487-S489 WeakPolarHBondContact OD1-CB 3.35Å; N487-S489 PolarHBondContact OD1-N 2.93Å; N487-S489 VanDerWaalsContact OD1-N 3.15Å; N487-S489 PolarHBondContact OD1-OG 2.78Å
488	G	90.9	Very high	96.1	Very high	37 Å²	37	25.7 Å²	25.7	38%	0.381	14%	0.136	S	C	.	.	S	Bend	trans	77.9	0	178.8	0	0	0	0	0	115.6	T485 Q486	T485-G488 PolarHBondContact O-N 2.98Å; Q486-G488 VanDerWaalsContact C-N 3.32Å
489	S	95.6	Very high	96.1	Very high	31 Å²	31	24.5 Å²	24.5	22%	0.217	13%	0.13	C	C	.	.			trans	-69.6	149.9	172.1	-57.3	0	0	0	0	111.3	T485 N487	T485-S489 PolarHBondContact N-O 2.84Å; T485-S489 WeakPolarHBondContact OG1-CB 3.49Å; T485-S489 PolarHBondContact OG1-N 2.9Å; T485-S489 PolarHBondContact OG1-O 3.19Å; N487-S489 VanDerWaalsContact C-N 3.27Å; N487-S489 PolarHBondContact O-N 2.88Å; N487-S489 VanDerWaalsContact OD1-CB 3.31Å; N487-S489 WeakPolarHBondContact OD1-CB 3.35Å; N487-S489 PolarHBondContact OD1-N 2.93Å; N487-S489 VanDerWaalsContact OD1-N 3.15Å; N487-S489 PolarHBondContact OD1-OG 2.78Å
490	I	97.8	Very high	96.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	137.9	-179.5	-62.9	-178	0	0	0	109.7	V482 V483 L484 K514 V515 V517 I523 V526 F535	V482-I490 HydrophobicContact CG1-CG2 4.01Å; V483-I490 WeakPolarHBondContact O-CA 3.46Å; L484-I490 HydrophobicContact CD1-CD1 4.32Å; L484-I490 HydrophobicContact CD1-CG1 3.82Å; I490-K514 WeakPolarHBondContact O-CA 3.3Å; I490-V515 HydrophobicContact CB-CB 4.16Å; I490-V515 HydrophobicContact CG2-CB 3.84Å; I490-V515 HydrophobicContact CG2-CG2 3.86Å; I490-V515 PolarHBondContact O-N 3.24Å; I490-V517 HydrophobicContact CD1-CG2 3.99Å; I490-V517 HydrophobicContact CG1-CG2 4.38Å; I490-I523 HydrophobicContact CD1-CB 3.87Å; I490-I523 HydrophobicContact CD1-CG1 3.68Å; I490-I523 HydrophobicContact CD1-CG2 3.86Å; I490-V526 HydrophobicContact CD1-CG1 4.4Å; I490-F535 HydrophobicContact CD1-CD1 3.83Å; I490-F535 HydrophobicContact CD1-CE1 4.25Å; I490-F535 HydrophobicContact CG2-CE1 3.97Å
491	Y	98.1	Very high	96.1	Very high	14 Å²	14	22.9 Å²	22.9	6%	0.055	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	141.7	175.7	-63.7	-92.4	0	0	0	110.1	F465 F466 R469 V482 V483 T485 P512 M513 K514	F465-Y491 AromaticContact CE1-CD1 3.74Å; F465-Y491 HydrophobicContact CE1-CD1 3.74Å; F465-Y491 AromaticContact CE1-CE1 3.74Å; F465-Y491 HydrophobicContact CE1-CE1 3.74Å; F465-Y491 HydrophobicContact CE1-CG 4.31Å; F465-Y491 AromaticContact CZ-CD1 3.94Å; F465-Y491 HydrophobicContact CZ-CD1 3.94Å; F465-Y491 AromaticContact CZ-CE1 3.72Å; F465-Y491 HydrophobicContact CZ-CE1 3.72Å; F466-Y491 AromaticContact CE1-CD2 3.92Å; F466-Y491 HydrophobicContact CE1-CD2 3.92Å; F466-Y491 HydrophobicContact CE1-CG 4.13Å; F466-Y491 HydrophobicContact CZ-CD2 4.5Å; F466-Y491 HydrophobicContact CZ-CG 4.27Å; R469-Y491 PolarHBondContact NH1-OH 3.3Å; V482-Y491 CarbonylContact C-O 3.54Å; V482-Y491 WeakPolarHBondContact CA-O 3.43Å; V483-Y491 PolarHBondContact N-O 2.9Å; V483-Y491 PolarHBondContact O-N 3.02Å; T485-Y491 HydrophobicContact CG2-CD2 4.04Å; T485-Y491 HydrophobicContact CG2-CE2 4.02Å; Y491-P512 HydrophobicContact CD1-CB 4.43Å; Y491-M513 CarbonylContact C-O 3.28Å; Y491-M513 VanDerWaalsContact CA-O 3.22Å; Y491-M513 WeakPolarHBondContact CA-O 3.46Å; Y491-K514 HydrophobicContact CD1-CB 4.06Å; Y491-K514 HydrophobicContact CE1-CB 3.77Å; Y491-K514 HydrophobicContact CE1-CG 4.23Å
492	S	98.2	Very high	96	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	140.3	-178.6	62.8	0	0	0	0	111	V481 L501 L503 M513 V515	V481-S492 VanDerWaalsContact O-CA 3.29Å; V481-S492 WeakPolarHBondContact O-CA 3.45Å; S492-L501 WeakPolarHBondContact CB-O 3.25Å; S492-L501 PolarHBondContact OG-O 2.91Å; S492-L501 VanDerWaalsContact OG-O 3.14Å; S492-L503 WeakPolarHBondContact OG-CD2 3.34Å; S492-L503 WeakPolarHBondContact OG-CG 3.37Å; S492-M513 PolarHBondContact N-O 3.44Å; S492-M513 PolarHBondContact O-N 3.29Å; S492-M513 VanDerWaalsContact O-N 3.16Å; S492-V515 WeakPolarHBondContact OG-CG2 3.5Å
493	W	97.9	Very high	95.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	179.3	176.3	68.8	97.5	0	0	0	111.8	L436 M438 G445 C446 L463 F466 H480 V481 V483 L501 F509 S511 P512	L436-W493 HydrophobicContact CD2-CH2 3.93Å; L436-W493 HydrophobicContact CD2-CZ2 4.41Å; M438-W493 HydrophobicContact CE-CZ2 4.47Å; G445-W493 VanDerWaalsContact O-CD1 3.25Å; C446-W493 PolarHBondContact O-NE1 2.9Å; L463-W493 HydrophobicContact CD2-CH2 4.35Å; L463-W493 HydrophobicContact CD2-CZ2 3.85Å; F466-W493 AromaticContact CE2-CH2 3.66Å; F466-W493 HydrophobicContact CE2-CH2 3.66Å; F466-W493 HydrophobicContact CE2-CZ2 4.49Å; F466-W493 AromaticContact CE2-CZ3 3.92Å; F466-W493 HydrophobicContact CE2-CZ3 3.92Å; F466-W493 AromaticContact CZ-CH2 3.98Å; F466-W493 HydrophobicContact CZ-CH2 3.98Å; F466-W493 AromaticContact CZ-CZ3 3.79Å; F466-W493 HydrophobicContact CZ-CZ3 3.79Å; H480-W493 WeakPolarHBondContact CA-O 3.22Å; V481-W493 HydrophobicContact CB-CD2 4.08Å; V481-W493 HydrophobicContact CB-CE3 4.38Å; V481-W493 HydrophobicContact CB-CH2 4.12Å; V481-W493 HydrophobicContact CB-CZ2 3.77Å; V481-W493 HydrophobicContact CB-CZ3 4.39Å; V481-W493 HydrophobicContact CG1-CH2 3.59Å; V481-W493 HydrophobicContact CG1-CZ2 3.56Å; V481-W493 HydrophobicContact CG1-CZ3 4.13Å; V481-W493 HydrophobicContact CG2-CZ2 4.3Å; V481-W493 PolarHBondContact N-O 2.59Å; V481-W493 PolarHBondContact O-N 3.1Å; V483-W493 HydrophobicContact CB-CH2 4.44Å; V483-W493 HydrophobicContact CB-CZ3 4.12Å; V483-W493 HydrophobicContact CG2-CH2 3.58Å; V483-W493 HydrophobicContact CG2-CZ3 3.73Å; W493-L501 WeakPolarHBondContact O-CD2 3.19Å; W493-F509 HydrophobicContact CB-CB 4.44Å; W493-S511 VanDerWaalsContact CB-O 3.24Å; W493-S511 WeakPolarHBondContact CB-O 3.25Å; W493-P512 HydrophobicContact CD2-CB 4.06Å; W493-P512 HydrophobicContact CD2-CG 3.97Å; W493-P512 HydrophobicContact CE3-CB 3.55Å; W493-P512 HydrophobicContact CE3-CG 3.88Å; W493-P512 HydrophobicContact CH2-CG 4.27Å; W493-P512 HydrophobicContact CZ2-CG 4.37Å; W493-P512 HydrophobicContact CZ3-CB 3.83Å; W493-P512 HydrophobicContact CZ3-CG 4.04Å
494	G	97	Very high	95.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	97.2	-146.3	-167	0	0	0	0	0	111.2	Y444 D508 F509	Y444-G494 CarbonylContact O-C 3.56Å; Y444-G494 WeakPolarHBondContact O-CA 3.24Å; G494-D508 WeakPolarHBondContact O-CA 2.97Å; G494-F509 WeakPolarHBondContact CA-O 3.18Å; G494-F509 PolarHBondContact N-O 2.97Å; G494-F509 PolarHBondContact O-N 2.85Å
495	C	96.6	Very high	95.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.176	C	C	.	.			trans	-71	131	-177	-178.7	0	0	0	0	113	Y444 N479 R500 D508	Y444-C495 HydrophobicContact CD1-CB 3.81Å; Y444-C495 HydrophobicContact CE1-CB 4.42Å; Y444-C495 HydrophobicContact CG-CB 4.08Å; N479-C495 HydrophobicContact CB-CB 3.89Å; N479-C495 VanDerWaalsContact O-CB 3.24Å; N479-C495 WeakPolarHBondContact O-CB 3.34Å; N479-C495 PolarHBondContact O-N 2.86Å; C495-R500 VanDerWaalsContact O-CD 3.23Å; C495-R500 WeakPolarHBondContact O-CD 3.47Å; C495-R500 WeakPolarHBondContact O-CG 3.5Å; C495-R500 PolarHBondContact SG-NH1 3.08Å; C495-R500 VanDerWaalsContact SG-NH1 3.36Å; C495-D508 WeakPolarHBondContact CA-OD1 3.28Å; C495-D508 PolarHBondContact SG-OD1 3.38Å
496	G	94.9	Very high	95.4	Very high	2 Å²	2	37 Å²	37	2%	0.021	19%	0.193	C	C	.	.			trans	-88.6	-27.6	-176.1	0	0	0	0	0	115.9	G499 R500 E506 D507 D508	G496-G499 VanDerWaalsContact O-CA 3.29Å; G496-G499 WeakPolarHBondContact O-CA 3.1Å; G496-G499 PolarHBondContact O-N 2.83Å; G496-R500 PolarHBondContact O-N 3.16Å; G496-E506 CarbonylContact C-O 3.59Å; G496-E506 VanDerWaalsContact C-O 3.22Å; G496-E506 WeakPolarHBondContact CA-O 3.2Å; G496-D507 VanDerWaalsContact CA-O 3.26Å; G496-D507 WeakPolarHBondContact CA-O 3.33Å; G496-D508 PolarHBondContact N-OD1 3Å
497	E	96	Very high	95.6	Very high	85 Å²	85	37.6 Å²	37.6	40%	0.397	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-31.9	131.7	-177.6	-79.7	-176.8	155.8	0	0	115	G499 R500 E506	E497-G499 PolarHBondContact O-N 2.96Å; E497-R500 PolarHBondContact O-NE 3.33Å; E497-R500 PolarHBondContact O-NH2 3.14Å; E497-R500 IonicContact OE2-CZ 3.9Å; E497-R500 IonicContact OE2-NH1 3.85Å; E497-R500 PolarHBondContact OE2-NH1 2.63Å; E497-R500 IonicContact OE2-NH2 2.59Å; E497-R500 PolarHBondContact OE2-NH2 3.3Å; E497-E506 PolarHBondContact N-O 3.3Å
498	Y	95.4	Very high	95.9	Very high	94 Å²	94	35.7 Å²	35.7	37%	0.369	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	63.6	11.3	-175.1	-44.7	-64.5	0	0	0	114	E506 G546 N547 Y575	Y498-E506 WeakPolarHBondContact CA-OE1 3.34Å; Y498-E506 PolarHBondContact N-OE1 3.23Å; Y498-G546 CarbonylContact O-C 3.59Å; Y498-G546 VanDerWaalsContact O-C 3.28Å; Y498-G546 WeakPolarHBondContact O-CA 3.44Å; Y498-N547 HydrophobicContact CD2-CB 3.92Å; Y498-N547 HydrophobicContact CG-CB 3.92Å; Y498-Y575 HydrophobicContact CD1-CD1 4.25Å; Y498-Y575 HydrophobicContact CD1-CG 4.44Å; Y498-Y575 WeakPolarHBondContact O-CB 3.28Å; Y498-Y575 VanDerWaalsContact O-CD2 3.23Å; Y498-Y575 WeakPolarHBondContact O-CD2 3.34Å
499	G	95.1	Very high	96.1	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.01	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	75.5	23.2	179.1	0	0	0	0	0	114.7	G496 E497 L501 G502 G546	G496-G499 VanDerWaalsContact O-CA 3.29Å; G496-G499 WeakPolarHBondContact O-CA 3.1Å; G496-G499 PolarHBondContact O-N 2.83Å; E497-G499 PolarHBondContact O-N 2.96Å; G499-L501 PolarHBondContact O-N 2.82Å; G499-G502 PolarHBondContact O-N 2.99Å; G499-G546 PolarHBondContact O-N 2.93Å
500	R	96	Very high	96	Very high	8 Å²	8	36.6 Å²	36.6	3%	0.03	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.9	-171.8	68.5	-173.9	70.2	158.3	-3.3	115	H480 C495 G496 E497 T533	H480-R500 HydrophobicContact CB-CG 4.41Å; H480-R500 WeakPolarHBondContact ND1-CD 3.49Å; C495-R500 VanDerWaalsContact O-CD 3.23Å; C495-R500 WeakPolarHBondContact O-CD 3.47Å; C495-R500 WeakPolarHBondContact O-CG 3.5Å; C495-R500 PolarHBondContact SG-NH1 3.08Å; C495-R500 VanDerWaalsContact SG-NH1 3.36Å; G496-R500 PolarHBondContact O-N 3.16Å; E497-R500 PolarHBondContact O-NE 3.33Å; E497-R500 PolarHBondContact O-NH2 3.14Å; E497-R500 IonicContact OE2-CZ 3.9Å; E497-R500 IonicContact OE2-NH1 3.85Å; E497-R500 PolarHBondContact OE2-NH1 2.63Å; E497-R500 IonicContact OE2-NH2 2.59Å; E497-R500 PolarHBondContact OE2-NH2 3.3Å; R500-T533 WeakPolarHBondContact O-CB 3.33Å; R500-T533 PolarHBondContact O-OG1 2.86Å
501	L	96.8	Very high	95.8	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.016	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-26.1	176	-56.2	-179.8	0	0	0	113	H480 S492 W493 G499 L503 F509	H480-L501 HydrophobicContact CB-CD2 3.75Å; S492-L501 WeakPolarHBondContact CB-O 3.25Å; S492-L501 PolarHBondContact OG-O 2.91Å; S492-L501 VanDerWaalsContact OG-O 3.14Å; W493-L501 WeakPolarHBondContact O-CD2 3.19Å; G499-L501 PolarHBondContact O-N 2.82Å; L501-L503 HydrophobicContact CB-CD1 3.76Å; L501-L503 HydrophobicContact CB-CG 3.84Å; L501-L503 HydrophobicContact CD1-CD1 3.81Å; L501-L503 HydrophobicContact CG-CD1 4.43Å; L501-F509 HydrophobicContact CD1-CD2 3.79Å
502	G	95.9	Very high	95.7	Very high	5 Å²	5	37.4 Å²	37.4	5%	0.052	19%	0.19	C	C	.	.			trans	80.5	14	-175.6	0	0	0	0	0	115.2	G499 E504 C545 T577	G499-G502 PolarHBondContact O-N 2.99Å; G502-E504 VanDerWaalsContact C-N 3.26Å; G502-E504 PolarHBondContact O-N 3.1Å; G502-C545 VanDerWaalsContact CA-SG 3.59Å; G502-C545 PolarHBondContact N-SG 3.39Å; G502-T577 CarbonylContact C-O 3.58Å; G502-T577 VanDerWaalsContact CA-O 3.23Å; G502-T577 WeakPolarHBondContact CA-O 3.35Å
503	L	96	Very high	95.7	Very high	32 Å²	32	41 Å²	41	17%	0.168	21%	0.208	C	C	.	.	S	Bend	trans	-86.8	20.9	-175.4	-60.9	170.5	0	0	0	113.9	S492 L501 C505 F509 M513 K514 V515	S492-L503 WeakPolarHBondContact OG-CD2 3.34Å; S492-L503 WeakPolarHBondContact OG-CG 3.37Å; L501-L503 HydrophobicContact CB-CD1 3.76Å; L501-L503 HydrophobicContact CB-CG 3.84Å; L501-L503 HydrophobicContact CD1-CD1 3.81Å; L501-L503 HydrophobicContact CG-CD1 4.43Å; L503-C505 PolarHBondContact O-N 3.21Å; L503-F509 HydrophobicContact CD1-CD2 3.53Å; L503-F509 HydrophobicContact CD1-CE2 3.56Å; L503-F509 HydrophobicContact CD1-CG 4.34Å; L503-F509 HydrophobicContact CD1-CZ 4.39Å; L503-M513 HydrophobicContact CD1-CB 3.68Å; L503-M513 HydrophobicContact CD1-CG 4.22Å; L503-M513 HydrophobicContact CD2-CB 3.86Å; L503-M513 HydrophobicContact CG-CB 4.45Å; L503-K514 WeakPolarHBondContact CD2-O 3.3Å; L503-V515 HydrophobicContact CD2-CG2 3.98Å
504	E	94.7	Very high	95.6	Very high	147 Å²	147	45.6 Å²	45.6	69%	0.687	23%	0.228	S	C	*	.	S	Bend	trans	65.1	-17.3	-175.4	-39.7	-144.4	123.4	0	0	116.2	G502 T577 T578	G502-E504 VanDerWaalsContact C-N 3.26Å; G502-E504 PolarHBondContact O-N 3.1Å; E504-T577 VanDerWaalsContact C-CB 3.47Å; E504-T577 WeakPolarHBondContact CA-O 3.47Å; E504-T577 PolarHBondContact N-O 2.83Å; E504-T577 VanDerWaalsContact O-CB 3.23Å; E504-T577 WeakPolarHBondContact O-CB 3.49Å; E504-T577 PolarHBondContact O-OG1 2.84Å; E504-T578 HydrophobicContact CB-CG2 3.98Å; E504-T578 HydrophobicContact CG-CG2 3.79Å; E504-T578 WeakPolarHBondContact OE1-CG2 3.34Å
505	C	93.5	Very high	95.6	Very high	37 Å²	37	45.7 Å²	45.7	25%	0.25	23%	0.229	C	C	.	.	S	Bend	trans	-108.4	-171.1	172.9	70	0	0	0	0	113.8	L503 D507 T577	L503-C505 PolarHBondContact O-N 3.21Å; C505-D507 VanDerWaalsContact CB-OD2 3.24Å; C505-D507 WeakPolarHBondContact CB-OD2 3.48Å; C505-D507 PolarHBondContact SG-OD2 3.13Å; C505-T577 WeakPolarHBondContact O-CG2 3.02Å
506	E	95.8	Very high	95.5	Very high	77 Å²	77	52 Å²	52	36%	0.36	26%	0.258	S	S	.	.			trans	-120.6	13.4	175.7	-57.9	-168.7	75.4	0	0	112.7	G496 E497 Y498 Y575 T577	G496-E506 CarbonylContact C-O 3.59Å; G496-E506 VanDerWaalsContact C-O 3.22Å; G496-E506 WeakPolarHBondContact CA-O 3.2Å; E497-E506 PolarHBondContact N-O 3.3Å; Y498-E506 WeakPolarHBondContact CA-OE1 3.34Å; Y498-E506 PolarHBondContact N-OE1 3.23Å; E506-Y575 HydrophobicContact CG-CE2 4.23Å; E506-Y575 WeakPolarHBondContact OE1-CE2 3.13Å; E506-Y575 WeakPolarHBondContact OE2-CE2 3.32Å; E506-Y575 VanDerWaalsContact OE2-CZ 3.31Å; E506-Y575 PolarHBondContact OE2-OH 3.19Å; E506-T577 HydrophobicContact CG-CG2 3.84Å
507	D	96.1	Very high	95.4	Very high	101 Å²	101	54 Å²	54	54%	0.54	27%	0.269	S	S	.	.			trans	-75.2	144.7	-176.1	-53.8	-67.9	0	0	0	112.5	G496 C505 F509	G496-D507 VanDerWaalsContact CA-O 3.26Å; G496-D507 WeakPolarHBondContact CA-O 3.33Å; C505-D507 VanDerWaalsContact CB-OD2 3.24Å; C505-D507 WeakPolarHBondContact CB-OD2 3.48Å; C505-D507 PolarHBondContact SG-OD2 3.13Å; D507-F509 HydrophobicContact CB-CE2 3.89Å; D507-F509 HydrophobicContact CB-CZ 3.98Å; D507-F509 WeakPolarHBondContact O-CD2 3.2Å; D507-F509 WeakPolarHBondContact O-CE2 3.49Å
508	D	95.3	Very high	95	Very high	76 Å²	76	52.5 Å²	52.5	41%	0.406	27%	0.267	S	S	.	.			trans	-76.6	136.5	172.7	-74.3	3.4	0	0	0	111	G494 C495 G496	G494-D508 WeakPolarHBondContact O-CA 2.97Å; C495-D508 WeakPolarHBondContact CA-OD1 3.28Å; C495-D508 PolarHBondContact SG-OD1 3.38Å; G496-D508 PolarHBondContact N-OD1 3Å
509	F	95.1	Very high	94.5	Very high	49 Å²	49	59.4 Å²	59.4	22%	0.215	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.1	179.2	-65.4	-85	0	0	0	112	W493 G494 L501 L503 D507 M513	W493-F509 HydrophobicContact CB-CB 4.44Å; G494-F509 WeakPolarHBondContact CA-O 3.18Å; G494-F509 PolarHBondContact N-O 2.97Å; G494-F509 PolarHBondContact O-N 2.85Å; L501-F509 HydrophobicContact CD1-CD2 3.79Å; L503-F509 HydrophobicContact CD1-CD2 3.53Å; L503-F509 HydrophobicContact CD1-CE2 3.56Å; L503-F509 HydrophobicContact CD1-CG 4.34Å; L503-F509 HydrophobicContact CD1-CZ 4.39Å; D507-F509 HydrophobicContact CB-CE2 3.89Å; D507-F509 HydrophobicContact CB-CZ 3.98Å; D507-F509 WeakPolarHBondContact O-CD2 3.2Å; D507-F509 WeakPolarHBondContact O-CE2 3.49Å; F509-M513 HydrophobicContact CB-CG 3.84Å; F509-M513 HydrophobicContact CD1-CE 3.95Å; F509-M513 HydrophobicContact CD1-CG 3.51Å; F509-M513 HydrophobicContact CD1-SD 4.04Å; F509-M513 HydrophobicContact CD2-CG 4.28Å; F509-M513 HydrophobicContact CE1-CE 3.77Å; F509-M513 HydrophobicContact CE1-CG 4.11Å; F509-M513 HydrophobicContact CE1-SD 4.47Å; F509-M513 HydrophobicContact CG-CG 3.61Å
510	S	94	Very high	93.7	Very high	37 Å²	37	63.1 Å²	63.1	26%	0.259	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	10.3	-179.8	54.8	0	0	0	0	115.3	G448 E450	G448-S510 CarbonylContact C-O 3.53Å; G448-S510 VanDerWaalsContact C-O 3.31Å; G448-S510 WeakPolarHBondContact CA-O 3.36Å; E450-S510 PolarHBondContact N-O 3.48Å; E450-S510 VanDerWaalsContact N-O 3.08Å
511	S	93.4	Very high	93.3	Very high	25 Å²	25	63.6 Å²	63.6	18%	0.175	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	158.3	173.1	44.2	0	0	0	0	111.2	E450 W493 M513	E450-S511 WeakPolarHBondContact OE1-CB 3.4Å; E450-S511 PolarHBondContact OE1-OG 2.84Å; W493-S511 VanDerWaalsContact CB-O 3.24Å; W493-S511 WeakPolarHBondContact CB-O 3.25Å; S511-M513 PolarHBondContact O-N 2.84Å; S511-M513 VanDerWaalsContact O-N 3.08Å
512	P	96.7	Very high	93.1	Very high	7 Å²	7	66.6 Å²	66.6	5%	0.045	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	104.1	-168.6	-22.4	35.4	0	0	0	114.5	F465 F466 Y491 W493	F465-P512 HydrophobicContact CD1-CB 3.83Å; F465-P512 HydrophobicContact CD1-CG 3.86Å; F465-P512 HydrophobicContact CE1-CB 3.69Å; F465-P512 HydrophobicContact CE1-CG 4.24Å; F465-P512 HydrophobicContact CG-CB 4.44Å; F465-P512 HydrophobicContact CG-CG 4.13Å; F465-P512 HydrophobicContact CZ-CB 4.16Å; F465-P512 WeakPolarHBondContact CZ-O 3.34Å; F466-P512 HydrophobicContact CE2-CB 3.92Å; F466-P512 HydrophobicContact CE2-CG 3.6Å; F466-P512 HydrophobicContact CZ-CB 3.74Å; F466-P512 HydrophobicContact CZ-CG 3.98Å; Y491-P512 HydrophobicContact CD1-CB 4.43Å; W493-P512 HydrophobicContact CD2-CB 4.06Å; W493-P512 HydrophobicContact CD2-CG 3.97Å; W493-P512 HydrophobicContact CE3-CB 3.55Å; W493-P512 HydrophobicContact CE3-CG 3.88Å; W493-P512 HydrophobicContact CH2-CG 4.27Å; W493-P512 HydrophobicContact CZ2-CG 4.37Å; W493-P512 HydrophobicContact CZ3-CB 3.83Å; W493-P512 HydrophobicContact CZ3-CG 4.04Å
513	M	97.1	Very high	93.1	Very high	75 Å²	75	66.9 Å²	66.9	37%	0.369	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	137.2	178.2	-60.6	-59.2	-85.7	0	0	111.4	Y491 S492 L503 F509 S511	Y491-M513 CarbonylContact C-O 3.28Å; Y491-M513 VanDerWaalsContact CA-O 3.22Å; Y491-M513 WeakPolarHBondContact CA-O 3.46Å; S492-M513 PolarHBondContact N-O 3.44Å; S492-M513 PolarHBondContact O-N 3.29Å; S492-M513 VanDerWaalsContact O-N 3.16Å; L503-M513 HydrophobicContact CD1-CB 3.68Å; L503-M513 HydrophobicContact CD1-CG 4.22Å; L503-M513 HydrophobicContact CD2-CB 3.86Å; L503-M513 HydrophobicContact CG-CB 4.45Å; F509-M513 HydrophobicContact CB-CG 3.84Å; F509-M513 HydrophobicContact CD1-CE 3.95Å; F509-M513 HydrophobicContact CD1-CG 3.51Å; F509-M513 HydrophobicContact CD1-SD 4.04Å; F509-M513 HydrophobicContact CD2-CG 4.28Å; F509-M513 HydrophobicContact CE1-CE 3.77Å; F509-M513 HydrophobicContact CE1-CG 4.11Å; F509-M513 HydrophobicContact CE1-SD 4.47Å; F509-M513 HydrophobicContact CG-CG 3.61Å; S511-M513 PolarHBondContact O-N 2.84Å; S511-M513 VanDerWaalsContact O-N 3.08Å
514	K	96.9	Very high	93.1	Very high	97 Å²	97	66.7 Å²	66.7	42%	0.422	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	129.9	178.8	-174.1	-173.7	169.9	-119.6	0	110.7	I490 Y491 L503 E516	I490-K514 WeakPolarHBondContact O-CA 3.3Å; Y491-K514 HydrophobicContact CD1-CB 4.06Å; Y491-K514 HydrophobicContact CE1-CB 3.77Å; Y491-K514 HydrophobicContact CE1-CG 4.23Å; L503-K514 WeakPolarHBondContact CD2-O 3.3Å; K514-E516 IonicContact NZ-OE1 2.75Å; K514-E516 PolarHBondContact NZ-OE1 2.83Å; K514-E516 IonicContact NZ-OE2 3.21Å; K514-E516 PolarHBondContact NZ-OE2 3.44Å
515	V	96.9	Very high	93.2	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.012	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	132.7	172	-177.8	0	0	0	0	109.5	I490 S492 L503 L579	I490-V515 HydrophobicContact CB-CB 4.16Å; I490-V515 HydrophobicContact CG2-CB 3.84Å; I490-V515 HydrophobicContact CG2-CG2 3.86Å; I490-V515 PolarHBondContact O-N 3.24Å; S492-V515 WeakPolarHBondContact OG-CG2 3.5Å; L503-V515 HydrophobicContact CD2-CG2 3.98Å; V515-L579 HydrophobicContact CG1-CD1 3.57Å; V515-L579 HydrophobicContact CG1-CD2 3.91Å; V515-L579 HydrophobicContact CG1-CG 4.41Å
516	E	94.3	Very high	93.4	Very high	132 Å²	132	59.4 Å²	59.4	62%	0.617	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-82.7	127.4	171.8	-68.3	-54.4	148.2	0	0	111.4	K514	K514-E516 IonicContact NZ-OE1 2.75Å; K514-E516 PolarHBondContact NZ-OE1 2.83Å; K514-E516 IonicContact NZ-OE2 3.21Å; K514-E516 PolarHBondContact NZ-OE2 3.44Å
517	V	92	Very high	93.5	Very high	43 Å²	43	56.9 Å²	56.9	26%	0.261	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-100.6	134.6	-175.6	-176.9	0	0	0	0	109.4	I490 R519 A521 I523	I490-V517 HydrophobicContact CD1-CG2 3.99Å; I490-V517 HydrophobicContact CG1-CG2 4.38Å; V517-R519 PolarHBondContact O-N 3.38Å; V517-A521 HydrophobicContact CG1-CB 4.14Å; V517-A521 WeakPolarHBondContact CG1-O 3.47Å; V517-I523 HydrophobicContact CG1-CD1 4.26Å; V517-I523 HydrophobicContact CG1-CG1 3.98Å
518	P	88.9	Confident	93.5	Very high	54 Å²	54	52.3 Å²	52.3	35%	0.351	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-54.1	136.7	177.6	-28.4	36.2	0	0	0	113	G520 A521 L543 L579	P518-G520 PolarHBondContact O-N 3.28Å; P518-A521 WeakPolarHBondContact O-CB 3.3Å; P518-A521 PolarHBondContact O-N 2.94Å; P518-L543 HydrophobicContact CG-CD1 4.1Å; P518-L579 HydrophobicContact CG-CB 4.34Å
519	R	83.4	Confident	93.5	Very high	239 Å²	239	48.9 Å²	48.9	90%	0.902	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	131.9	-179.5	-56	-177.2	-150.1	-122	0.2	110.5	V517	V517-R519 PolarHBondContact O-N 3.38Å
520	G	78.7	Confident	93.4	Very high	80 Å²	80	46.9 Å²	46.9	83%	0.825	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	-5.9	-177.8	0	0	0	0	0	115.5	P518	P518-G520 PolarHBondContact O-N 3.28Å
521	A	87.1	Confident	93.4	Very high	17 Å²	17	46.3 Å²	46.3	14%	0.14	26%	0.261	C	S	.	.			trans	-96.8	98	176.9	0	0	0	0	0	112.3	V517 P518 I523 T537 L543	V517-A521 HydrophobicContact CG1-CB 4.14Å; V517-A521 WeakPolarHBondContact CG1-O 3.47Å; P518-A521 WeakPolarHBondContact O-CB 3.3Å; P518-A521 PolarHBondContact O-N 2.94Å; A521-I523 HydrophobicContact CB-CD1 4.46Å; A521-T537 HydrophobicContact CB-CG2 4.2Å; A521-L543 HydrophobicContact CB-CD1 4.38Å
522	S	92.8	Very high	93.6	Very high	66 Å²	66	45.2 Å²	45.2	46%	0.462	25%	0.253	S	S	.	.			trans	-75.6	125.7	164.2	-56.5	0	0	0	0	110.3	T537 E538	S522-T537 CarbonylContact O-C 3.5Å; S522-T537 WeakPolarHBondContact O-CA 3.48Å; S522-T537 VanDerWaalsContact O-CB 3.31Å; S522-T537 WeakPolarHBondContact O-CB 3.22Å; S522-E538 WeakPolarHBondContact CB-OE2 3.49Å; S522-E538 PolarHBondContact O-N 3.46Å; S522-E538 PolarHBondContact OG-OE2 3.07Å
523	I	96.1	Very high	93.6	Very high	11 Å²	11	44.9 Å²	44.9	6%	0.056	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	122.1	-179.7	-55.1	-50.5	0	0	0	110.6	L484 I490 V517 A521 S525 V526 F535 L536 T537 L543	L484-I523 HydrophobicContact CD1-CB 4.45Å; L484-I523 HydrophobicContact CD1-CG2 4.45Å; I490-I523 HydrophobicContact CD1-CB 3.87Å; I490-I523 HydrophobicContact CD1-CG1 3.68Å; I490-I523 HydrophobicContact CD1-CG2 3.86Å; V517-I523 HydrophobicContact CG1-CD1 4.26Å; V517-I523 HydrophobicContact CG1-CG1 3.98Å; A521-I523 HydrophobicContact CB-CD1 4.46Å; I523-S525 WeakPolarHBondContact CG2-O 3.35Å; I523-V526 HydrophobicContact CG2-CG1 4.2Å; I523-F535 HydrophobicContact CD1-CB 4.12Å; I523-F535 HydrophobicContact CG2-CB 4.15Å; I523-L536 CarbonylContact C-O 3.49Å; I523-L536 WeakPolarHBondContact CA-O 3.45Å; I523-L536 WeakPolarHBondContact CG2-O 3.26Å; I523-T537 HydrophobicContact CD1-CG2 3.89Å; I523-L543 HydrophobicContact CD1-CD1 4.23Å
524	S	95.4	Very high	93.7	Very high	28 Å²	28	41.3 Å²	41.3	20%	0.196	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	-34.6	-178.5	58.5	0	0	0	0	113	R472 L536 T537	R472-S524 PolarHBondContact NH2-O 2.76Å; R472-S524 VanDerWaalsContact NH2-O 3.14Å; S524-L536 PolarHBondContact N-O 2.91Å; S524-L536 PolarHBondContact OG-O 2.89Å; S524-L536 VanDerWaalsContact OG-O 3.08Å; S524-T537 PolarHBondContact OG-O 3Å
525	S	96.9	Very high	93.7	Very high	31 Å²	31	36.7 Å²	36.7	22%	0.217	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	161.1	178.8	61.7	0	0	0	0	113.5	Q473 I523 L536	Q473-S525 VanDerWaalsContact OE1-CA 3.22Å; Q473-S525 VanDerWaalsContact OE1-CB 3.28Å; I523-S525 WeakPolarHBondContact CG2-O 3.35Å; S525-L536 PolarHBondContact O-N 2.83Å
526	V	97.9	Very high	93.7	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	153.5	179.1	-63.1	0	0	0	0	111.7	Q473 V482 L484 I490 I523 F535	Q473-V526 PolarHBondContact NE2-O 2.74Å; V482-V526 HydrophobicContact CG1-CB 4.19Å; V482-V526 HydrophobicContact CG1-CG1 4.16Å; V482-V526 HydrophobicContact CG1-CG2 4.33Å; L484-V526 HydrophobicContact CB-CG1 4.21Å; L484-V526 HydrophobicContact CB-CG2 4.34Å; I490-V526 HydrophobicContact CD1-CG1 4.4Å; I523-V526 HydrophobicContact CG2-CG1 4.2Å; V526-F535 HydrophobicContact CG1-CD1 3.82Å; V526-F535 HydrophobicContact CG1-CE1 4.36Å
527	S	97.7	Very high	93.8	Very high	24 Å²	24	31.2 Å²	31.2	17%	0.168	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	117.3	-179.6	-67.7	0	0	0	0	113.1	F534 I593	S527-F534 PolarHBondContact N-O 3.49Å; S527-F534 PolarHBondContact O-N 3.04Å; S527-I593 PolarHBondContact OG-O 3.01Å
528	C	96.9	Very high	93.9	Very high	6 Å²	6	35.5 Å²	35.5	4%	0.041	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	129.5	-177.3	-56.6	0	0	0	0	112.7	S475 C476 P595 R706	S475-C528 PolarHBondContact OG-N 2.93Å; C476-C528 VanDerWaalsContact C-CB 3.47Å; C528-P595 VanDerWaalsContact C-CG 3.49Å; C528-R706 PolarHBondContact O-NH1 3.28Å
529	G	94.6	Very high	94	Very high	3 Å²	3	39.2 Å²	39.2	3%	0.031	22%	0.22	C	C	.	.			trans	-81.6	-153.8	169.7	0	0	0	0	0	111.9	G477 G532 P595 R706	G477-G529 WeakPolarHBondContact CA-O 3.38Å; G529-G532 WeakPolarHBondContact CA-O 3.44Å; G529-G532 PolarHBondContact N-O 2.9Å; G529-P595 VanDerWaalsContact CA-CG 3.49Å; G529-P595 VanDerWaalsContact N-CG 3.34Å; G529-R706 PolarHBondContact O-NH2 2.97Å
530	S	93.7	Very high	94.5	Very high	7 Å²	7	28.2 Å²	28.2	5%	0.049	18%	0.181	C	C	.	.	S	Bend	trans	-63.3	-52.9	168.4	33.3	0	0	0	0	111.4	D478 H480	D478-S530 PolarHBondContact N-O 2.98Å; D478-S530 VanDerWaalsContact N-O 3.09Å; D478-S530 WeakPolarHBondContact OD2-CA 3.4Å; D478-S530 WeakPolarHBondContact OD2-CB 3.44Å; H480-S530 PolarHBondContact CE1-O 2.61Å
531	D	94.7	Very high	95.3	Very high	25 Å²	25	27.5 Å²	27.5	13%	0.134	16%	0.155	C	C	.	.	S	Bend	trans	-145.9	27.1	-159.9	58	-32.7	0	0	0	112.2	N547 K552	D531-N547 HydrophobicContact CB-CB 4.42Å; D531-N547 WeakPolarHBondContact O-CB 3.45Å; D531-N547 PolarHBondContact O-N 3.03Å; D531-N547 VanDerWaalsContact OD2-CB 3.24Å; D531-N547 WeakPolarHBondContact OD2-CB 3.37Å; D531-N547 PolarHBondContact OD2-ND2 2.75Å; D531-K552 IonicContact OD1-NZ 3.62Å; D531-K552 PolarHBondContact OD1-NZ 2.96Å; D531-K552 IonicContact OD2-NZ 2.8Å; D531-K552 PolarHBondContact OD2-NZ 3.26Å
532	G	96.1	Very high	95.8	Very high	2 Å²	2	26.8 Å²	26.8	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169	158.1	174.1	0	0	0	0	0	112.3	G529 C545	G529-G532 WeakPolarHBondContact CA-O 3.44Å; G529-G532 PolarHBondContact N-O 2.9Å; G532-C545 CarbonylContact C-O 3.58Å; G532-C545 WeakPolarHBondContact CA-O 3.43Å
533	T	98	Very high	96	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	141.1	-164.5	-59.4	0	0	0	0	111	H480 V482 R500 F535 A544 C545	H480-T533 PolarHBondContact NE2-OG1 3.44Å; V482-T533 HydrophobicContact CG1-CG2 4.49Å; V482-T533 HydrophobicContact CG2-CG2 3.93Å; R500-T533 WeakPolarHBondContact O-CB 3.33Å; R500-T533 PolarHBondContact O-OG1 2.86Å; T533-F535 HydrophobicContact CG2-CD2 4.33Å; T533-F535 HydrophobicContact CG2-CE1 3.84Å; T533-F535 HydrophobicContact CG2-CE2 3.64Å; T533-F535 HydrophobicContact CG2-CZ 3.36Å; T533-A544 CarbonylContact O-C 3.17Å; T533-A544 VanDerWaalsContact O-CA 3.22Å; T533-A544 WeakPolarHBondContact O-CA 3.26Å; T533-C545 PolarHBondContact N-O 2.86Å; T533-C545 PolarHBondContact O-N 3.31Å
534	F	98.3	Very high	96.1	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	144.1	172.1	-68.2	-86.5	0	0	0	111.9	S527 V542 L543 A544 L553 V582 I593 P595 T600 F612	S527-F534 PolarHBondContact N-O 3.49Å; S527-F534 PolarHBondContact O-N 3.04Å; F534-V542 HydrophobicContact CD1-CG1 3.54Å; F534-V542 HydrophobicContact CE1-CG1 4.19Å; F534-V542 HydrophobicContact CG-CG1 4.5Å; F534-L543 WeakPolarHBondContact CA-O 3.28Å; F534-A544 HydrophobicContact CD1-CB 3.71Å; F534-A544 HydrophobicContact CE1-CB 3.89Å; F534-A544 HydrophobicContact CG-CB 4.49Å; F534-L553 HydrophobicContact CD2-CD2 4.29Å; F534-L553 HydrophobicContact CE1-CB 4.47Å; F534-L553 HydrophobicContact CE1-CD2 4.19Å; F534-L553 HydrophobicContact CE2-CD2 3.49Å; F534-L553 VanDerWaalsContact CE2-CD2 3.49Å; F534-L553 HydrophobicContact CZ-CB 4.29Å; F534-L553 HydrophobicContact CZ-CD2 3.5Å; F534-L553 HydrophobicContact CZ-CG 4.49Å; F534-V582 HydrophobicContact CE1-CG2 4.43Å; F534-I593 HydrophobicContact CB-CD1 4.27Å; F534-I593 HydrophobicContact CB-CG2 4.11Å; F534-I593 HydrophobicContact CD1-CD1 3.43Å; F534-I593 VanDerWaalsContact CD1-CD1 3.43Å; F534-I593 HydrophobicContact CD1-CG1 4.47Å; F534-I593 HydrophobicContact CD2-CD1 4.29Å; F534-I593 HydrophobicContact CE1-CD1 3.59Å; F534-I593 HydrophobicContact CE2-CD1 4.45Å; F534-I593 HydrophobicContact CG-CD1 3.76Å; F534-I593 HydrophobicContact CG-CG1 4.35Å; F534-I593 HydrophobicContact CZ-CD1 4.07Å; F534-P595 HydrophobicContact CD2-CB 4.06Å; F534-P595 HydrophobicContact CD2-CG 4.17Å; F534-P595 HydrophobicContact CE2-CB 3.83Å; F534-P595 HydrophobicContact CE2-CG 4.44Å; F534-T600 HydrophobicContact CE2-CG2 3.97Å; F534-T600 HydrophobicContact CZ-CG2 3.83Å; F534-F612 HydrophobicContact CE1-CE2 4.43Å; F534-F612 HydrophobicContact CE1-CZ 4.34Å; F534-F612 HydrophobicContact CZ-CE2 4.13Å; F534-F612 HydrophobicContact CZ-CZ 4.22Å
535	F	97.9	Very high	96.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	120.2	175.8	-47	-95.5	0	0	0	108.2	V482 I490 I523 V526 T533 L543 L579	V482-F535 HydrophobicContact CG1-CE1 4.01Å; I490-F535 HydrophobicContact CD1-CD1 3.83Å; I490-F535 HydrophobicContact CD1-CE1 4.25Å; I490-F535 HydrophobicContact CG2-CE1 3.97Å; I523-F535 HydrophobicContact CD1-CB 4.12Å; I523-F535 HydrophobicContact CG2-CB 4.15Å; V526-F535 HydrophobicContact CG1-CD1 3.82Å; V526-F535 HydrophobicContact CG1-CE1 4.36Å; T533-F535 HydrophobicContact CG2-CD2 4.33Å; T533-F535 HydrophobicContact CG2-CE1 3.84Å; T533-F535 HydrophobicContact CG2-CE2 3.64Å; T533-F535 HydrophobicContact CG2-CZ 3.36Å; F535-L543 HydrophobicContact CB-CB 4.29Å; F535-L543 HydrophobicContact CD2-CB 4.39Å; F535-L543 PolarHBondContact N-O 2.73Å; F535-L543 PolarHBondContact O-N 2.76Å; F535-L579 HydrophobicContact CD1-CD2 4.33Å; F535-L579 HydrophobicContact CD2-CD1 4.29Å; F535-L579 HydrophobicContact CD2-CD2 3.98Å; F535-L579 HydrophobicContact CD2-CG 3.72Å; F535-L579 HydrophobicContact CE1-CD2 4.38Å; F535-L579 HydrophobicContact CE2-CD1 3.59Å; F535-L579 HydrophobicContact CE2-CD2 4.02Å; F535-L579 HydrophobicContact CE2-CG 3.56Å; F535-L579 HydrophobicContact CG-CD2 4.14Å; F535-L579 HydrophobicContact CG-CG 4.39Å; F535-L579 HydrophobicContact CZ-CD1 3.82Å; F535-L579 HydrophobicContact CZ-CD2 4.22Å; F535-L579 HydrophobicContact CZ-CG 4.09Å
536	L	97.4	Very high	96.2	Very high	7 Å²	7	20.5 Å²	20.5	4%	0.037	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	130	178.4	-175.8	65.6	0	0	0	109.4	I523 S524 S525 V542 I590 Q591	I523-L536 CarbonylContact C-O 3.49Å; I523-L536 WeakPolarHBondContact CA-O 3.45Å; I523-L536 WeakPolarHBondContact CG2-O 3.26Å; S524-L536 PolarHBondContact N-O 2.91Å; S524-L536 PolarHBondContact OG-O 2.89Å; S524-L536 VanDerWaalsContact OG-O 3.08Å; S525-L536 PolarHBondContact O-N 2.83Å; L536-V542 HydrophobicContact CD1-CG2 3.86Å; L536-I590 HydrophobicContact CD1-CB 3.81Å; L536-I590 HydrophobicContact CD1-CG2 3.97Å; L536-Q591 WeakPolarHBondContact CD2-O 3.49Å
537	T	96.3	Very high	96.1	Very high	12 Å²	12	20.9 Å²	20.9	7%	0.074	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	157.4	174.7	73.5	0	0	0	0	111.8	A521 S522 I523 S524 M539 G540 K541	A521-T537 HydrophobicContact CB-CG2 4.2Å; S522-T537 CarbonylContact O-C 3.5Å; S522-T537 WeakPolarHBondContact O-CA 3.48Å; S522-T537 VanDerWaalsContact O-CB 3.31Å; S522-T537 WeakPolarHBondContact O-CB 3.22Å; I523-T537 HydrophobicContact CD1-CG2 3.89Å; S524-T537 PolarHBondContact OG-O 3Å; T537-M539 PolarHBondContact O-N 2.95Å; T537-M539 VanDerWaalsContact O-N 3.17Å; T537-M539 PolarHBondContact OG1-N 2.66Å; T537-G540 PolarHBondContact O-N 3.27Å; T537-K541 HydrophobicContact CG2-CB 4.32Å; T537-K541 PolarHBondContact N-O 3.17Å; T537-K541 WeakPolarHBondContact OG1-CB 3.44Å; T537-K541 PolarHBondContact OG1-N 3.19Å; T537-K541 PolarHBondContact OG1-O 3.03Å
538	E	93.3	Very high	96	Very high	133 Å²	133	19.9 Å²	19.9	62%	0.621	10%	0.101	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.4	170.9	-64.9	-179.6	145.2	0	0	112.6	S522 G540	S522-E538 WeakPolarHBondContact CB-OE2 3.49Å; S522-E538 PolarHBondContact O-N 3.46Å; S522-E538 PolarHBondContact OG-OE2 3.07Å; E538-G540 PolarHBondContact O-N 2.87Å
539	M	91.7	Very high	95.8	Very high	132 Å²	132	23.5 Å²	23.5	65%	0.65	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	6.8	173.9	-68.7	-104.1	-83.2	0	0	113.9	T537 K541	T537-M539 PolarHBondContact O-N 2.95Å; T537-M539 VanDerWaalsContact O-N 3.17Å; T537-M539 PolarHBondContact OG1-N 2.66Å; M539-K541 VanDerWaalsContact C-N 3.29Å; M539-K541 HydrophobicContact CB-CG 4.34Å; M539-K541 PolarHBondContact O-N 3Å
540	G	94.1	Very high	95.7	Very high	8 Å²	8	28.2 Å²	28.2	8%	0.082	14%	0.14	C	C	.	.	S	Bend	trans	68	22.8	-178.8	0	0	0	0	0	114.2	T537 E538 K589 I590	T537-G540 PolarHBondContact O-N 3.27Å; E538-G540 PolarHBondContact O-N 2.87Å; G540-K589 CarbonylContact O-C 3.58Å; G540-K589 WeakPolarHBondContact O-CA 3.26Å; G540-I590 WeakPolarHBondContact CA-O 3.22Å; G540-I590 PolarHBondContact O-N 2.88Å
541	K	95.6	Very high	95.7	Very high	64 Å²	64	28 Å²	28	28%	0.278	14%	0.138	S	C	.	.			trans	-97.5	151.1	175.4	-51.9	-55.8	174.8	-171.4	0	109.9	T537 M539 L581 A586 F588	T537-K541 HydrophobicContact CG2-CB 4.32Å; T537-K541 PolarHBondContact N-O 3.17Å; T537-K541 WeakPolarHBondContact OG1-CB 3.44Å; T537-K541 PolarHBondContact OG1-N 3.19Å; T537-K541 PolarHBondContact OG1-O 3.03Å; M539-K541 VanDerWaalsContact C-N 3.29Å; M539-K541 HydrophobicContact CB-CG 4.34Å; M539-K541 PolarHBondContact O-N 3Å; K541-L581 HydrophobicContact CB-CD1 4.2Å; K541-A586 PolarHBondContact NZ-O 2.92Å; K541-F588 PolarHBondContact NZ-O 2.83Å; K541-F588 VanDerWaalsContact NZ-O 3.1Å
542	V	97.2	Very high	95.7	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.012	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.3	-174.4	179.7	0	0	0	0	109.9	F534 L536 V582 L585 I590 I593	F534-V542 HydrophobicContact CD1-CG1 3.54Å; F534-V542 HydrophobicContact CE1-CG1 4.19Å; F534-V542 HydrophobicContact CG-CG1 4.5Å; L536-V542 HydrophobicContact CD1-CG2 3.86Å; V542-V582 HydrophobicContact CB-CB 4.36Å; V542-V582 HydrophobicContact CB-CG2 4.36Å; V542-V582 HydrophobicContact CG1-CB 4.34Å; V542-V582 HydrophobicContact CG1-CG2 3.86Å; V542-V582 PolarHBondContact O-N 3.35Å; V542-L585 HydrophobicContact CB-CD1 4.14Å; V542-L585 HydrophobicContact CG1-CD1 4.29Å; V542-L585 HydrophobicContact CG2-CD1 4.08Å; V542-I590 HydrophobicContact CG2-CB 3.91Å; V542-I590 HydrophobicContact CG2-CG1 3.77Å; V542-I590 HydrophobicContact CG2-CG2 4.15Å; V542-I593 HydrophobicContact CG1-CD1 3.81Å; V542-I593 HydrophobicContact CG2-CD1 4.35Å
543	L	97.1	Very high	95.6	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.026	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	152.6	164.2	-46.1	179.9	0	0	0	109.1	P518 A521 I523 F534 F535 L579 T580 L581	P518-L543 HydrophobicContact CG-CD1 4.1Å; A521-L543 HydrophobicContact CB-CD1 4.38Å; I523-L543 HydrophobicContact CD1-CD1 4.23Å; F534-L543 WeakPolarHBondContact CA-O 3.28Å; F535-L543 HydrophobicContact CB-CB 4.29Å; F535-L543 HydrophobicContact CD2-CB 4.39Å; F535-L543 PolarHBondContact N-O 2.73Å; F535-L543 PolarHBondContact O-N 2.76Å; L543-L579 HydrophobicContact CB-CB 4.49Å; L543-L579 HydrophobicContact CD1-CB 4.26Å; L543-L579 HydrophobicContact CD1-CD2 4.39Å; L543-T580 CarbonylContact C-O 3.54Å; L543-T580 WeakPolarHBondContact CA-O 3.49Å; L543-L581 HydrophobicContact CD2-CB 4Å; L543-L581 HydrophobicContact CD2-CD1 3.99Å
544	A	97.4	Very high	95.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	155.5	175.5	0	0	0	0	0	113	T533 F534 L553 T580 V582	T533-A544 CarbonylContact O-C 3.17Å; T533-A544 VanDerWaalsContact O-CA 3.22Å; T533-A544 WeakPolarHBondContact O-CA 3.26Å; F534-A544 HydrophobicContact CD1-CB 3.71Å; F534-A544 HydrophobicContact CE1-CB 3.89Å; F534-A544 HydrophobicContact CG-CB 4.49Å; A544-L553 HydrophobicContact CB-CB 4.12Å; A544-L553 HydrophobicContact CB-CD1 4.36Å; A544-T580 PolarHBondContact N-O 2.94Å; A544-T580 PolarHBondContact O-N 2.83Å; A544-V582 HydrophobicContact CB-CG2 3.71Å
545	C	97.1	Very high	95	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	170	167.7	64.1	0	0	0	0	111.1	G502 G532 T533 L553 I576	G502-C545 VanDerWaalsContact CA-SG 3.59Å; G502-C545 PolarHBondContact N-SG 3.39Å; G532-C545 CarbonylContact C-O 3.58Å; G532-C545 WeakPolarHBondContact CA-O 3.43Å; T533-C545 PolarHBondContact N-O 2.86Å; T533-C545 PolarHBondContact O-N 3.31Å; C545-L553 VanDerWaalsContact O-CD1 3.26Å; C545-L553 WeakPolarHBondContact O-CD1 3.14Å; C545-I576 WeakPolarHBondContact CA-O 3.23Å; C545-I576 HydrophobicContact CB-CG2 4.44Å; C545-I576 WeakPolarHBondContact CB-O 3.36Å
546	G	97.2	Very high	94.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	95.9	-164.1	-175.9	0	0	0	0	0	114.6	Y498 G499 N548 L553 Y575 I576	Y498-G546 CarbonylContact O-C 3.59Å; Y498-G546 VanDerWaalsContact O-C 3.28Å; Y498-G546 WeakPolarHBondContact O-CA 3.44Å; G499-G546 PolarHBondContact O-N 2.93Å; G546-N548 PolarHBondContact O-N 2.74Å; G546-L553 WeakPolarHBondContact O-CD1 3.39Å; G546-Y575 VanDerWaalsContact O-CA 3.23Å; G546-Y575 WeakPolarHBondContact O-CA 3.36Å; G546-Y575 WeakPolarHBondContact O-CB 3.26Å; G546-I576 PolarHBondContact N-O 2.9Å; G546-I576 PolarHBondContact O-N 2.78Å; G546-I576 VanDerWaalsContact O-N 3.15Å
547	N	96.3	Very high	93.8	Very high	8 Å²	8	31.7 Å²	31.7	4%	0.043	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	126.4	-177.8	-175.3	3.1	0	0	0	112.1	Y498 D531 D549 K552 L553 P574	Y498-N547 HydrophobicContact CD2-CB 3.92Å; Y498-N547 HydrophobicContact CG-CB 3.92Å; D531-N547 HydrophobicContact CB-CB 4.42Å; D531-N547 WeakPolarHBondContact O-CB 3.45Å; D531-N547 PolarHBondContact O-N 3.03Å; D531-N547 VanDerWaalsContact OD2-CB 3.24Å; D531-N547 WeakPolarHBondContact OD2-CB 3.37Å; D531-N547 PolarHBondContact OD2-ND2 2.75Å; N547-D549 PolarHBondContact ND2-OD2 3.12Å; N547-D549 WeakPolarHBondContact OD1-CB 3.23Å; N547-D549 PolarHBondContact OD1-N 3.35Å; N547-D549 PolarHBondContact OD1-OD2 3.18Å; N547-K552 PolarHBondContact ND2-NZ 3.49Å; N547-K552 WeakPolarHBondContact O-CE 3.44Å; N547-L553 WeakPolarHBondContact O-CD1 3.49Å; N547-L553 WeakPolarHBondContact O-CG 3.2Å; N547-P574 PolarHBondContact OD1-O 2.75Å
548	N	95.1	Very high	92.3	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	17%	0.172	C	C	.	.			trans	-107.1	23.3	176.8	-176.9	54.9	0	0	0	113.1	G546 F550 N551 L553 G554 L555 N556 I573 P574	G546-N548 PolarHBondContact O-N 2.74Å; N548-F550 PolarHBondContact O-N 3.29Å; N548-N551 PolarHBondContact ND2-OD1 2.86Å; N548-N551 VanDerWaalsContact O-CA 3.23Å; N548-N551 WeakPolarHBondContact O-CA 3.49Å; N548-N551 PolarHBondContact O-N 2.89Å; N548-N551 VanDerWaalsContact OD1-C 3.32Å; N548-N551 WeakPolarHBondContact OD1-CA 3.35Å; N548-N551 PolarHBondContact OD1-OD1 3.47Å; N548-L553 HydrophobicContact CB-CB 4.1Å; N548-L553 HydrophobicContact CB-CD1 4.15Å; N548-L553 HydrophobicContact CB-CG 4.15Å; N548-L553 VanDerWaalsContact OD1-CA 3.31Å; N548-L553 WeakPolarHBondContact OD1-CA 3.28Å; N548-L553 VanDerWaalsContact OD1-CB 3.31Å; N548-L553 WeakPolarHBondContact OD1-CB 3.24Å; N548-L553 PolarHBondContact OD1-N 3.44Å; N548-G554 PolarHBondContact OD1-N 2.94Å; N548-L555 HydrophobicContact CB-CD1 4.3Å; N548-N556 PolarHBondContact ND2-OD1 2.91Å; N548-I573 WeakPolarHBondContact CB-O 3.43Å; N548-I573 PolarHBondContact ND2-O 3.22Å; N548-P574 WeakPolarHBondContact CA-O 3.29Å; N548-P574 PolarHBondContact N-O 3.25Å
549	D	93.6	Very high	90.6	Very high	81 Å²	81	31.7 Å²	31.7	43%	0.433	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-43.7	139.2	170	-97.3	-38	0	0	0	112.6	N547 N551 K552	N547-D549 PolarHBondContact ND2-OD2 3.12Å; N547-D549 WeakPolarHBondContact OD1-CB 3.23Å; N547-D549 PolarHBondContact OD1-N 3.35Å; N547-D549 PolarHBondContact OD1-OD2 3.18Å; D549-N551 PolarHBondContact O-N 3.04Å; D549-K552 WeakPolarHBondContact O-CB 3.24Å; D549-K552 WeakPolarHBondContact O-CD 3.28Å; D549-K552 WeakPolarHBondContact O-CG 3.33Å; D549-K552 PolarHBondContact O-N 3.08Å
550	F	91.8	Very high	88.5	Confident	103 Å²	103	31.5 Å²	31.5	45%	0.452	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	56.9	10.1	-172.7	-45.7	-78.2	0	0	0	115.7	N548 T598 G613 C614	N548-F550 PolarHBondContact O-N 3.29Å; F550-T598 HydrophobicContact CD2-CG2 4.43Å; F550-T598 HydrophobicContact CE2-CG2 4.24Å; F550-G613 CarbonylContact O-C 3.38Å; F550-G613 VanDerWaalsContact O-CA 3.28Å; F550-G613 WeakPolarHBondContact O-CA 3.41Å; F550-C614 HydrophobicContact CB-CB 3.8Å; F550-C614 HydrophobicContact CD1-CB 4.19Å; F550-C614 HydrophobicContact CD2-CB 4.24Å; F550-C614 HydrophobicContact CG-CB 3.8Å
551	N	93.3	Very high	86.4	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.016	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	66.9	31.4	-165.7	-157.9	35.5	0	0	0	114.2	N548 D549 L553 G554 L555 N556 Q584 Q629	N548-N551 PolarHBondContact ND2-OD1 2.86Å; N548-N551 VanDerWaalsContact O-CA 3.23Å; N548-N551 WeakPolarHBondContact O-CA 3.49Å; N548-N551 PolarHBondContact O-N 2.89Å; N548-N551 VanDerWaalsContact OD1-C 3.32Å; N548-N551 WeakPolarHBondContact OD1-CA 3.35Å; N548-N551 PolarHBondContact OD1-OD1 3.47Å; D549-N551 PolarHBondContact O-N 3.04Å; N551-L553 PolarHBondContact O-N 3.08Å; N551-G554 PolarHBondContact O-N 3.27Å; N551-G554 VanDerWaalsContact OD1-C 3.27Å; N551-G554 WeakPolarHBondContact OD1-CA 3.29Å; N551-L555 PolarHBondContact OD1-N 3.31Å; N551-L555 VanDerWaalsContact OD1-N 3.11Å; N551-N556 WeakPolarHBondContact CB-ND2 3.43Å; N551-N556 VanDerWaalsContact OD1-CB 3.31Å; N551-N556 WeakPolarHBondContact OD1-CB 3.41Å; N551-N556 PolarHBondContact OD1-N 2.91Å; N551-Q584 PolarHBondContact ND2-NE2 3Å; N551-Q629 PolarHBondContact ND2-O 3.47Å
552	K	94.3	Very high	84.1	Confident	11 Å²	11	37.6 Å²	37.6	5%	0.048	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-18.2	-177.8	69.6	-168.8	170.2	-179.5	0	114.8	D531 N547 D549 T600 F612	D531-K552 IonicContact OD1-NZ 3.62Å; D531-K552 PolarHBondContact OD1-NZ 2.96Å; D531-K552 IonicContact OD2-NZ 2.8Å; D531-K552 PolarHBondContact OD2-NZ 3.26Å; N547-K552 PolarHBondContact ND2-NZ 3.49Å; N547-K552 WeakPolarHBondContact O-CE 3.44Å; D549-K552 WeakPolarHBondContact O-CB 3.24Å; D549-K552 WeakPolarHBondContact O-CD 3.28Å; D549-K552 WeakPolarHBondContact O-CG 3.33Å; D549-K552 PolarHBondContact O-N 3.08Å; K552-T600 WeakPolarHBondContact O-CB 3.46Å; K552-T600 PolarHBondContact O-OG1 2.87Å; K552-F612 VanDerWaalsContact O-CE2 3.25Å; K552-F612 WeakPolarHBondContact O-CE2 3.32Å
553	L	95.2	Very high	81.7	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.021	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-4.3	170.8	-52.9	-177.5	0	0	0	113.5	F534 A544 C545 G546 N547 N548 N551 L555 V582	F534-L553 HydrophobicContact CD2-CD2 4.29Å; F534-L553 HydrophobicContact CE1-CB 4.47Å; F534-L553 HydrophobicContact CE1-CD2 4.19Å; F534-L553 HydrophobicContact CE2-CD2 3.49Å; F534-L553 VanDerWaalsContact CE2-CD2 3.49Å; F534-L553 HydrophobicContact CZ-CB 4.29Å; F534-L553 HydrophobicContact CZ-CD2 3.5Å; F534-L553 HydrophobicContact CZ-CG 4.49Å; A544-L553 HydrophobicContact CB-CB 4.12Å; A544-L553 HydrophobicContact CB-CD1 4.36Å; C545-L553 VanDerWaalsContact O-CD1 3.26Å; C545-L553 WeakPolarHBondContact O-CD1 3.14Å; G546-L553 WeakPolarHBondContact O-CD1 3.39Å; N547-L553 WeakPolarHBondContact O-CD1 3.49Å; N547-L553 WeakPolarHBondContact O-CG 3.2Å; N548-L553 HydrophobicContact CB-CB 4.1Å; N548-L553 HydrophobicContact CB-CD1 4.15Å; N548-L553 HydrophobicContact CB-CG 4.15Å; N548-L553 VanDerWaalsContact OD1-CA 3.31Å; N548-L553 WeakPolarHBondContact OD1-CA 3.28Å; N548-L553 VanDerWaalsContact OD1-CB 3.31Å; N548-L553 WeakPolarHBondContact OD1-CB 3.24Å; N548-L553 PolarHBondContact OD1-N 3.44Å; N551-L553 PolarHBondContact O-N 3.08Å; L553-L555 HydrophobicContact CB-CD1 3.87Å; L553-L555 HydrophobicContact CB-CG 3.89Å; L553-L555 HydrophobicContact CD1-CD1 4.06Å; L553-L555 PolarHBondContact O-N 2.88Å; L553-V582 VanDerWaalsContact O-CG1 3.3Å; L553-V582 WeakPolarHBondContact O-CG1 3.46Å; L553-V582 WeakPolarHBondContact O-CG2 3.4Å
554	G	93	Very high	79.3	Confident	1 Å²	1	54 Å²	54	1%	0.01	31%	0.305	C	S	.	.			trans	70.9	13.9	178.4	0	0	0	0	0	114.7	N548 N551 Q584	N548-G554 PolarHBondContact OD1-N 2.94Å; N551-G554 PolarHBondContact O-N 3.27Å; N551-G554 VanDerWaalsContact OD1-C 3.27Å; N551-G554 WeakPolarHBondContact OD1-CA 3.29Å; G554-Q584 WeakPolarHBondContact O-CG 3.24Å
555	L	91.3	Very high	76.9	Confident	9 Å²	9	61.7 Å²	61.7	5%	0.047	34%	0.341	C	S	.	.			trans	-79.6	-16.1	-171.1	-65.8	172.1	0	0	0	114.5	N548 N551 L553 I573 I576 T580 V582	N548-L555 HydrophobicContact CB-CD1 4.3Å; N551-L555 PolarHBondContact OD1-N 3.31Å; N551-L555 VanDerWaalsContact OD1-N 3.11Å; L553-L555 HydrophobicContact CB-CD1 3.87Å; L553-L555 HydrophobicContact CB-CG 3.89Å; L553-L555 HydrophobicContact CD1-CD1 4.06Å; L553-L555 PolarHBondContact O-N 2.88Å; L555-I573 HydrophobicContact CB-CB 4.47Å; L555-I573 HydrophobicContact CB-CD1 4.35Å; L555-I576 HydrophobicContact CD1-CB 4.44Å; L555-I576 HydrophobicContact CD1-CG2 3.55Å; L555-T580 HydrophobicContact CD2-CG2 3.88Å; L555-V582 HydrophobicContact CD2-CG2 4.04Å
556	N	89.8	Confident	74.3	Confident	10 Å²	10	68.3 Å²	68.3	5%	0.053	39%	0.387	C	S	.	.			trans	-60.2	140.5	-177.9	-70.3	-7.6	0	0	0	112.2	N548 N551 G572 I573 Q584	N548-N556 PolarHBondContact ND2-OD1 2.91Å; N551-N556 WeakPolarHBondContact CB-ND2 3.43Å; N551-N556 VanDerWaalsContact OD1-CB 3.31Å; N551-N556 WeakPolarHBondContact OD1-CB 3.41Å; N551-N556 PolarHBondContact OD1-N 2.91Å; N556-G572 WeakPolarHBondContact OD1-CA 3.41Å; N556-I573 PolarHBondContact OD1-N 2.87Å; N556-Q584 PolarHBondContact O-NE2 3.05Å
557	Q	79.3	Confident	72	Confident	77 Å²	77	71 Å²	71	36%	0.36	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.7	-174.9	-60.8	-176.5	67.7	0	0	110.8	Y570 Q571	Q557-Y570 CarbonylContact O-C 3.6Å; Q557-Y570 WeakPolarHBondContact O-CA 3.3Å; Q557-Q571 PolarHBondContact N-O 3.03Å; Q557-Q571 PolarHBondContact O-N 2.79Å
558	G	64	Low	69.7	Low	43 Å²	43	78.1 Å²	78.1	44%	0.443	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	130.8	175.2	0	0	0	0	0	111.4	S560	G558-S560 PolarHBondContact O-N 2.92Å
559	I	58.2	Low	67.7	Low	101 Å²	101	80.8 Å²	80.8	52%	0.518	47%	0.47	S	S	.	.			trans	-81.1	86.8	-178.6	-58.4	170.3	0	0	0	109.9	G561 A569	I559-G561 PolarHBondContact O-N 2.89Å; I559-G561 VanDerWaalsContact O-N 3.16Å; I559-A569 WeakPolarHBondContact CB-O 3.33Å; I559-A569 HydrophobicContact CD1-CB 4.08Å; I559-A569 VanDerWaalsContact CG1-O 3.24Å; I559-A569 WeakPolarHBondContact CG1-O 3.41Å; I559-A569 PolarHBondContact N-O 3.02Å
560	S	48.8	Very low	66.2	Low	129 Å²	129	80.6 Å²	80.6	90%	0.902	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	101.2	168.5	-174.2	0	0	0	0	109.8	G558	G558-S560 PolarHBondContact O-N 2.92Å
561	G	48.2	Very low	65.3	Low	67 Å²	67	81.7 Å²	81.7	69%	0.691	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-179.2	-30	177.8	0	0	0	0	0	117.9	I559	I559-G561 PolarHBondContact O-N 2.89Å; I559-G561 VanDerWaalsContact O-N 3.16Å
562	I	47.1	Very low	64.5	Low	133 Å²	133	83.9 Å²	83.9	68%	0.682	49%	0.494	S	S	*	.			trans	-122.3	100.2	-173.7	-52.4	-178.8	0	0	0	110.6	N564	I562-N564 VanDerWaalsContact C-N 3.29Å; I562-N564 PolarHBondContact O-N 2.71Å
563	K	48.6	Very low	64.1	Low	208 Å²	208	85.1 Å²	85.1	90%	0.904	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-3.9	-173.5	-85.3	-173	172.1	-179.1	0	116.4
564	N	46.6	Very low	63.7	Low	144 Å²	144	89.1 Å²	89.1	77%	0.77	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	13.9	-162.9	-70.6	12	0	0	0	115.9	I562	I562-N564 VanDerWaalsContact C-N 3.29Å; I562-N564 PolarHBondContact O-N 2.71Å
565	H	45.7	Very low	63.8	Low	161 Å²	161	93 Å²	93	75%	0.745	54%	0.542	S	S	*	.	S	Bend	trans	-125.5	133.9	168.4	-70.5	-49	0	0	0	111.3	G567	H565-G567 PolarHBondContact O-N 2.76Å
566	S	44.1	Very low	63.9	Low	139 Å²	139	94.8 Å²	94.8	97%	0.972	55%	0.551	S	S	*	*	S	Bend	trans	-77	72.4	-178.8	56	0	0	0	0	111.3
567	G	47.5	Very low	64.2	Low	57 Å²	57	95.6 Å²	95.6	59%	0.588	56%	0.556	S	S	*	*	S	Bend	trans	169.2	107.5	178.1	0	0	0	0	0	109.9	H565 A569	H565-G567 PolarHBondContact O-N 2.76Å; G567-A569 PolarHBondContact O-N 2.92Å; G567-A569 VanDerWaalsContact O-N 3.08Å
568	E	49	Very low	64.9	Low	156 Å²	156	93.9 Å²	93.9	73%	0.729	55%	0.551	S	S	*	*			trans	-61.6	112	174.5	-67.9	-176.6	159.9	0	0	109.6	Y570	E568-Y570 HydrophobicContact CB-CD2 4.18Å; E568-Y570 HydrophobicContact CB-CE2 3.75Å; E568-Y570 WeakPolarHBondContact O-CD2 3.42Å; E568-Y570 PolarHBondContact O-N 2.94Å; E568-Y570 VanDerWaalsContact O-N 3.13Å; E568-Y570 WeakPolarHBondContact OE2-CE2 3.47Å; E568-Y570 PolarHBondContact OE2-OH 3Å
569	A	53.2	Low	66.3	Low	59 Å²	59	92.7 Å²	92.7	49%	0.488	53%	0.534	S	S	.	.			trans	-73.9	104.2	175.9	0	0	0	0	0	109.2	I559 G567	I559-A569 WeakPolarHBondContact CB-O 3.33Å; I559-A569 HydrophobicContact CD1-CB 4.08Å; I559-A569 VanDerWaalsContact CG1-O 3.24Å; I559-A569 WeakPolarHBondContact CG1-O 3.41Å; I559-A569 PolarHBondContact N-O 3.02Å; G567-A569 PolarHBondContact O-N 2.92Å; G567-A569 VanDerWaalsContact O-N 3.08Å
570	Y	61.8	Low	68.1	Low	77 Å²	77	90 Å²	90	30%	0.302	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	123.5	168	-75.7	-95.7	0	0	0	109.3	Q557 E568 G572 Q629	Q557-Y570 CarbonylContact O-C 3.6Å; Q557-Y570 WeakPolarHBondContact O-CA 3.3Å; E568-Y570 HydrophobicContact CB-CD2 4.18Å; E568-Y570 HydrophobicContact CB-CE2 3.75Å; E568-Y570 WeakPolarHBondContact O-CD2 3.42Å; E568-Y570 PolarHBondContact O-N 2.94Å; E568-Y570 VanDerWaalsContact O-N 3.13Å; E568-Y570 WeakPolarHBondContact OE2-CE2 3.47Å; E568-Y570 PolarHBondContact OE2-OH 3Å; Y570-G572 PolarHBondContact O-N 2.98Å; Y570-Q629 HydrophobicContact CD1-CB 4.21Å; Y570-Q629 HydrophobicContact CD2-CB 3.84Å; Y570-Q629 HydrophobicContact CD2-CG 4.01Å; Y570-Q629 HydrophobicContact CE1-CB 4.26Å; Y570-Q629 HydrophobicContact CE2-CB 3.88Å; Y570-Q629 HydrophobicContact CE2-CG 4.31Å; Y570-Q629 HydrophobicContact CG-CB 4.01Å; Y570-Q629 HydrophobicContact CG-CG 4.42Å
571	Q	72.1	Confident	70.3	Confident	127 Å²	127	85.6 Å²	85.6	59%	0.593	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	111.3	166.7	-172.6	172.6	0.4	0	0	108.3	Q557	Q557-Q571 PolarHBondContact N-O 3.03Å; Q557-Q571 PolarHBondContact O-N 2.79Å
572	G	76.8	Confident	72.5	Confident	49 Å²	49	82.5 Å²	82.5	51%	0.505	46%	0.456	S	S	.	.			trans	-70.2	128.7	171.4	0	0	0	0	0	110.5	N556 Y570	N556-G572 WeakPolarHBondContact OD1-CA 3.41Å; Y570-G572 PolarHBondContact O-N 2.98Å
573	I	86.2	Confident	74.6	Confident	37 Å²	37	80.9 Å²	80.9	19%	0.19	44%	0.444	C	S	.	.			trans	-99.9	118.1	165.6	-62.7	-176.9	0	0	0	105.9	N548 L555 N556 Y575	N548-I573 WeakPolarHBondContact CB-O 3.43Å; N548-I573 PolarHBondContact ND2-O 3.22Å; L555-I573 HydrophobicContact CB-CB 4.47Å; L555-I573 HydrophobicContact CB-CD1 4.35Å; N556-I573 PolarHBondContact OD1-N 2.87Å; I573-Y575 VanDerWaalsContact CG2-O 3.27Å; I573-Y575 WeakPolarHBondContact CG2-O 3.42Å
574	P	87.4	Confident	76.6	Confident	87 Å²	87	72.2 Å²	72.2	57%	0.565	41%	0.407	S	S	*	.			trans	-72.1	-44.7	-177	28.2	-32.8	0	0	0	111.2	N547 N548	N547-P574 PolarHBondContact OD1-O 2.75Å; N548-P574 WeakPolarHBondContact CA-O 3.29Å; N548-P574 PolarHBondContact N-O 3.25Å
575	Y	94	Very high	78.8	Confident	84 Å²	84	65.5 Å²	65.5	33%	0.329	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	173.3	175.3	65.3	-87.2	0	0	0	110.3	Y498 E506 G546 I573 T577	Y498-Y575 HydrophobicContact CD1-CD1 4.25Å; Y498-Y575 HydrophobicContact CD1-CG 4.44Å; Y498-Y575 WeakPolarHBondContact O-CB 3.28Å; Y498-Y575 VanDerWaalsContact O-CD2 3.23Å; Y498-Y575 WeakPolarHBondContact O-CD2 3.34Å; E506-Y575 HydrophobicContact CG-CE2 4.23Å; E506-Y575 WeakPolarHBondContact OE1-CE2 3.13Å; E506-Y575 WeakPolarHBondContact OE2-CE2 3.32Å; E506-Y575 VanDerWaalsContact OE2-CZ 3.31Å; E506-Y575 PolarHBondContact OE2-OH 3.19Å; G546-Y575 VanDerWaalsContact O-CA 3.23Å; G546-Y575 WeakPolarHBondContact O-CA 3.36Å; G546-Y575 WeakPolarHBondContact O-CB 3.26Å; I573-Y575 VanDerWaalsContact CG2-O 3.27Å; I573-Y575 WeakPolarHBondContact CG2-O 3.42Å; Y575-T577 HydrophobicContact CD2-CG2 4.41Å; Y575-T577 HydrophobicContact CE2-CG2 4.17Å
576	I	94.3	Very high	80.9	Confident	46 Å²	46	58.5 Å²	58.5	24%	0.236	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	135	171.4	-164.8	58.8	0	0	0	111.7	C545 G546 L555 T580	C545-I576 WeakPolarHBondContact CA-O 3.23Å; C545-I576 HydrophobicContact CB-CG2 4.44Å; C545-I576 WeakPolarHBondContact CB-O 3.36Å; G546-I576 PolarHBondContact N-O 2.9Å; G546-I576 PolarHBondContact O-N 2.78Å; G546-I576 VanDerWaalsContact O-N 3.15Å; L555-I576 HydrophobicContact CD1-CB 4.44Å; L555-I576 HydrophobicContact CD1-CG2 3.55Å; I576-T580 WeakPolarHBondContact CG1-OG1 3.3Å
577	T	94.9	Very high	83.1	Confident	27 Å²	27	60.9 Å²	60.9	17%	0.166	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-5.7	-177.6	61.6	0	0	0	0	114.2	G502 E504 C505 E506 Y575	G502-T577 CarbonylContact C-O 3.58Å; G502-T577 VanDerWaalsContact CA-O 3.23Å; G502-T577 WeakPolarHBondContact CA-O 3.35Å; E504-T577 VanDerWaalsContact C-CB 3.47Å; E504-T577 WeakPolarHBondContact CA-O 3.47Å; E504-T577 PolarHBondContact N-O 2.83Å; E504-T577 VanDerWaalsContact O-CB 3.23Å; E504-T577 WeakPolarHBondContact O-CB 3.49Å; E504-T577 PolarHBondContact O-OG1 2.84Å; C505-T577 WeakPolarHBondContact O-CG2 3.02Å; E506-T577 HydrophobicContact CG-CG2 3.84Å; Y575-T577 HydrophobicContact CD2-CG2 4.41Å; Y575-T577 HydrophobicContact CE2-CG2 4.17Å
578	T	93.9	Very high	85.3	Confident	41 Å²	41	59 Å²	59	25%	0.252	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	149.9	-175.5	67.6	0	0	0	0	111.7	E504 T580	E504-T578 HydrophobicContact CB-CG2 3.98Å; E504-T578 HydrophobicContact CG-CG2 3.79Å; E504-T578 WeakPolarHBondContact OE1-CG2 3.34Å; T578-T580 PolarHBondContact O-N 3.07Å; T578-T580 PolarHBondContact O-OG1 3.07Å
579	L	95.1	Very high	87.5	Confident	18 Å²	18	56.6 Å²	56.6	9%	0.094	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	98.2	-176.2	-91.7	60.6	0	0	0	111.9	V515 P518 F535 L543	V515-L579 HydrophobicContact CG1-CD1 3.57Å; V515-L579 HydrophobicContact CG1-CD2 3.91Å; V515-L579 HydrophobicContact CG1-CG 4.41Å; P518-L579 HydrophobicContact CG-CB 4.34Å; F535-L579 HydrophobicContact CD1-CD2 4.33Å; F535-L579 HydrophobicContact CD2-CD1 4.29Å; F535-L579 HydrophobicContact CD2-CD2 3.98Å; F535-L579 HydrophobicContact CD2-CG 3.72Å; F535-L579 HydrophobicContact CE1-CD2 4.38Å; F535-L579 HydrophobicContact CE2-CD1 3.59Å; F535-L579 HydrophobicContact CE2-CD2 4.02Å; F535-L579 HydrophobicContact CE2-CG 3.56Å; F535-L579 HydrophobicContact CG-CD2 4.14Å; F535-L579 HydrophobicContact CG-CG 4.39Å; F535-L579 HydrophobicContact CZ-CD1 3.82Å; F535-L579 HydrophobicContact CZ-CD2 4.22Å; F535-L579 HydrophobicContact CZ-CG 4.09Å; L543-L579 HydrophobicContact CB-CB 4.49Å; L543-L579 HydrophobicContact CD1-CB 4.26Å; L543-L579 HydrophobicContact CD1-CD2 4.39Å
580	T	94.9	Very high	89.6	Confident	44 Å²	44	54 Å²	54	27%	0.27	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131	-169.4	-64.7	0	0	0	0	112	L543 A544 L555 I576 T578 V582	L543-T580 CarbonylContact C-O 3.54Å; L543-T580 WeakPolarHBondContact CA-O 3.49Å; A544-T580 PolarHBondContact N-O 2.94Å; A544-T580 PolarHBondContact O-N 2.83Å; L555-T580 HydrophobicContact CD2-CG2 3.88Å; I576-T580 WeakPolarHBondContact CG1-OG1 3.3Å; T578-T580 PolarHBondContact O-N 3.07Å; T578-T580 PolarHBondContact O-OG1 3.07Å; T580-V582 PolarHBondContact O-N 2.72Å
581	L	94.4	Very high	91.2	Very high	37 Å²	37	56 Å²	56	19%	0.194	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	122.5	178.3	179.9	69.5	0	0	0	111.9	L3 K541 L543 K583	L3-L581 HydrophobicContact CD1-CD2 4.08Å; K541-L581 HydrophobicContact CB-CD1 4.2Å; L543-L581 HydrophobicContact CD2-CB 4Å; L543-L581 HydrophobicContact CD2-CD1 3.99Å; L581-K583 VanDerWaalsContact C-N 3.29Å; L581-K583 PolarHBondContact O-N 3.21Å
582	V	94.6	Very high	92.3	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	27%	0.271	C	S	.	.			trans	-74.8	80.4	176.5	-173.5	0	0	0	0	109.8	F534 V542 A544 L553 L555 T580 Q584 L585 A586	F534-V582 HydrophobicContact CE1-CG2 4.43Å; V542-V582 HydrophobicContact CB-CB 4.36Å; V542-V582 HydrophobicContact CB-CG2 4.36Å; V542-V582 HydrophobicContact CG1-CB 4.34Å; V542-V582 HydrophobicContact CG1-CG2 3.86Å; V542-V582 PolarHBondContact O-N 3.35Å; A544-V582 HydrophobicContact CB-CG2 3.71Å; L553-V582 VanDerWaalsContact O-CG1 3.3Å; L553-V582 WeakPolarHBondContact O-CG1 3.46Å; L553-V582 WeakPolarHBondContact O-CG2 3.4Å; L555-V582 HydrophobicContact CD2-CG2 4.04Å; T580-V582 PolarHBondContact O-N 2.72Å; V582-Q584 PolarHBondContact O-N 3.47Å; V582-L585 HydrophobicContact CB-CB 4.45Å; V582-L585 HydrophobicContact CB-CD1 4.31Å; V582-L585 HydrophobicContact CG1-CB 4.15Å; V582-L585 HydrophobicContact CG1-CD1 3.81Å; V582-L585 HydrophobicContact CG1-CG 3.83Å; V582-L585 PolarHBondContact O-N 2.88Å; V582-A586 PolarHBondContact O-N 3.04Å
583	K	91.6	Very high	93.3	Very high	100 Å²	100	50.9 Å²	50.9	44%	0.435	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-34.7	-174.5	-64.8	-177.5	-176.1	179	0	113.9	L581 L585 A586	L581-K583 VanDerWaalsContact C-N 3.29Å; L581-K583 PolarHBondContact O-N 3.21Å; K583-L585 VanDerWaalsContact C-N 3.26Å; K583-L585 PolarHBondContact O-N 2.99Å; K583-A586 WeakPolarHBondContact O-CB 3.24Å; K583-A586 PolarHBondContact O-N 3.5Å
584	Q	90.3	Very high	93.8	Very high	25 Å²	25	50.1 Å²	50.1	12%	0.117	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-31.3	178.6	-61.1	-162.2	25.4	0	0	113.2	N551 G554 N556 V582 Q629 G630 V631	N551-Q584 PolarHBondContact ND2-NE2 3Å; G554-Q584 WeakPolarHBondContact O-CG 3.24Å; N556-Q584 PolarHBondContact O-NE2 3.05Å; V582-Q584 PolarHBondContact O-N 3.47Å; Q584-Q629 PolarHBondContact NE2-O 3.03Å; Q584-G630 VanDerWaalsContact OE1-CA 3.24Å; Q584-V631 HydrophobicContact CB-CG1 3.82Å; Q584-V631 HydrophobicContact CB-CG2 4.24Å
585	L	92.9	Very high	94.2	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-14.2	176.9	-65.6	178.1	0	0	0	113.3	V542 V582 K583 R587 F588 I590 I593 I610 F612 V631	V542-L585 HydrophobicContact CB-CD1 4.14Å; V542-L585 HydrophobicContact CG1-CD1 4.29Å; V542-L585 HydrophobicContact CG2-CD1 4.08Å; V582-L585 HydrophobicContact CB-CB 4.45Å; V582-L585 HydrophobicContact CB-CD1 4.31Å; V582-L585 HydrophobicContact CG1-CB 4.15Å; V582-L585 HydrophobicContact CG1-CD1 3.81Å; V582-L585 HydrophobicContact CG1-CG 3.83Å; V582-L585 PolarHBondContact O-N 2.88Å; K583-L585 VanDerWaalsContact C-N 3.26Å; K583-L585 PolarHBondContact O-N 2.99Å; L585-R587 PolarHBondContact O-N 3.19Å; L585-F588 HydrophobicContact CD2-CD2 4.46Å; L585-F588 WeakPolarHBondContact O-CB 3.45Å; L585-F588 WeakPolarHBondContact O-CD2 3.31Å; L585-F588 PolarHBondContact O-N 2.82Å; L585-I590 HydrophobicContact CD2-CD1 4.48Å; L585-I593 HydrophobicContact CD1-CD1 4.35Å; L585-I610 HydrophobicContact CD2-CG2 3.99Å; L585-F612 HydrophobicContact CD1-CE1 3.99Å; L585-F612 HydrophobicContact CD1-CZ 3.88Å; L585-F612 HydrophobicContact CD2-CE1 4.11Å; L585-F612 HydrophobicContact CG-CE1 4.46Å; L585-V631 HydrophobicContact CD2-CG1 3.87Å; L585-V631 HydrophobicContact CG-CG1 4.39Å
586	A	89.6	Confident	94.2	Very high	13 Å²	13	43.2 Å²	43.2	11%	0.107	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.3	-170.4	0	0	0	0	0	115.3	K541 V582 K583 F588	K541-A586 PolarHBondContact NZ-O 2.92Å; V582-A586 PolarHBondContact O-N 3.04Å; K583-A586 WeakPolarHBondContact O-CB 3.24Å; K583-A586 PolarHBondContact O-N 3.5Å; A586-F588 VanDerWaalsContact C-N 3.31Å
587	R	90.2	Very high	94.2	Very high	190 Å²	190	44.5 Å²	44.5	72%	0.717	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-10.8	173.3	66.6	-179.1	141.1	-179.5	-3.5	114.7	L585	L585-R587 PolarHBondContact O-N 3.19Å
588	F	93.7	Very high	94.2	Very high	18 Å²	18	44.4 Å²	44.4	8%	0.079	22%	0.216	C	C	.	.	S	Bend	trans	-100.4	169	174.5	-54.1	-85.1	0	0	0	109.5	K541 L585 A586 I590 D604 I610 V631 V633	K541-F588 PolarHBondContact NZ-O 2.83Å; K541-F588 VanDerWaalsContact NZ-O 3.1Å; L585-F588 HydrophobicContact CD2-CD2 4.46Å; L585-F588 WeakPolarHBondContact O-CB 3.45Å; L585-F588 WeakPolarHBondContact O-CD2 3.31Å; L585-F588 PolarHBondContact O-N 2.82Å; A586-F588 VanDerWaalsContact C-N 3.31Å; F588-I590 HydrophobicContact CB-CD1 3.78Å; F588-D604 HydrophobicContact CB-CB 4.46Å; F588-I610 HydrophobicContact CB-CD1 4.17Å; F588-I610 HydrophobicContact CD1-CD1 3.55Å; F588-I610 HydrophobicContact CD2-CD1 3.81Å; F588-I610 HydrophobicContact CE1-CD1 3.8Å; F588-I610 HydrophobicContact CE2-CD1 4.04Å; F588-I610 HydrophobicContact CG-CD1 3.57Å; F588-I610 HydrophobicContact CZ-CD1 4.04Å; F588-V631 HydrophobicContact CE2-CG2 4.32Å; F588-V633 HydrophobicContact CE1-CG2 4.09Å; F588-V633 HydrophobicContact CZ-CG2 3.74Å
589	K	95.6	Very high	94.4	Very high	104 Å²	104	42.5 Å²	42.5	45%	0.452	20%	0.204	S	C	.	.			trans	-116.8	103.7	162.2	-74.6	166.7	171	-174.7	0	106.4	G540 D604 E605	G540-K589 CarbonylContact O-C 3.58Å; G540-K589 WeakPolarHBondContact O-CA 3.26Å; K589-D604 CarbonylContact O-C 3.55Å; K589-D604 WeakPolarHBondContact O-CA 3.48Å; K589-D604 WeakPolarHBondContact O-CB 3.34Å; K589-E605 HydrophobicContact CB-CB 4.37Å; K589-E605 HydrophobicContact CB-CG 4.42Å; K589-E605 VanDerWaalsContact CD-CD 3.46Å; K589-E605 HydrophobicContact CD-CG 4.42Å; K589-E605 WeakPolarHBondContact CD-OE2 3.25Å; K589-E605 WeakPolarHBondContact CE-OE2 3.46Å; K589-E605 IonicContact NZ-OE1 3.59Å; K589-E605 IonicContact NZ-OE2 2.76Å; K589-E605 PolarHBondContact NZ-OE2 3.25Å; K589-E605 PolarHBondContact O-N 2.89Å
590	I	97.4	Very high	94.5	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.026	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	139.5	-177.2	-56.7	-53	0	0	0	109.3	L536 G540 V542 L585 F588 V592 I593 A602 D604 I610	L536-I590 HydrophobicContact CD1-CB 3.81Å; L536-I590 HydrophobicContact CD1-CG2 3.97Å; G540-I590 WeakPolarHBondContact CA-O 3.22Å; G540-I590 PolarHBondContact O-N 2.88Å; V542-I590 HydrophobicContact CG2-CB 3.91Å; V542-I590 HydrophobicContact CG2-CG1 3.77Å; V542-I590 HydrophobicContact CG2-CG2 4.15Å; L585-I590 HydrophobicContact CD2-CD1 4.48Å; F588-I590 HydrophobicContact CB-CD1 3.78Å; I590-V592 VanDerWaalsContact CG2-O 3.25Å; I590-V592 WeakPolarHBondContact CG2-O 3.4Å; I590-I593 HydrophobicContact CG2-CB 4.39Å; I590-A602 HydrophobicContact CD1-CB 4.13Å; I590-A602 HydrophobicContact CG2-CB 4.06Å; I590-D604 HydrophobicContact CD1-CB 4.33Å; I590-I610 HydrophobicContact CD1-CD1 3.88Å
591	Q	95.4	Very high	94.6	Very high	120 Å²	120	39.6 Å²	39.6	56%	0.561	19%	0.187	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	-35.7	170.7	-71.9	-174.3	-14.9	0	0	111.9	L536 I603	L536-Q591 WeakPolarHBondContact CD2-O 3.49Å; Q591-I603 PolarHBondContact N-O 3.17Å
592	V	96.1	Very high	94.8	Very high	60 Å²	60	37.8 Å²	37.8	36%	0.364	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	138.9	-178.3	-176.4	0	0	0	0	109.1	I590 T594 A602 I603	I590-V592 VanDerWaalsContact CG2-O 3.25Å; I590-V592 WeakPolarHBondContact CG2-O 3.4Å; V592-T594 HydrophobicContact CG1-CG2 4.05Å; V592-A602 CarbonylContact O-C 3.58Å; V592-A602 WeakPolarHBondContact O-CA 3.35Å; V592-A602 WeakPolarHBondContact O-CB 3.35Å; V592-I603 HydrophobicContact CB-CB 4.28Å; V592-I603 HydrophobicContact CB-CD1 4.48Å; V592-I603 PolarHBondContact N-O 3.21Å; V592-I603 PolarHBondContact O-N 3.24Å
593	I	97.1	Very high	94.8	Very high	7 Å²	7	38 Å²	38	4%	0.036	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	131.2	170.3	-170.9	160.2	0	0	0	109.2	S527 F534 V542 L585 I590 T600 A601 A602 F612	S527-I593 PolarHBondContact OG-O 3.01Å; F534-I593 HydrophobicContact CB-CD1 4.27Å; F534-I593 HydrophobicContact CB-CG2 4.11Å; F534-I593 HydrophobicContact CD1-CD1 3.43Å; F534-I593 VanDerWaalsContact CD1-CD1 3.43Å; F534-I593 HydrophobicContact CD1-CG1 4.47Å; F534-I593 HydrophobicContact CD2-CD1 4.29Å; F534-I593 HydrophobicContact CE1-CD1 3.59Å; F534-I593 HydrophobicContact CE2-CD1 4.45Å; F534-I593 HydrophobicContact CG-CD1 3.76Å; F534-I593 HydrophobicContact CG-CG1 4.35Å; F534-I593 HydrophobicContact CZ-CD1 4.07Å; V542-I593 HydrophobicContact CG1-CD1 3.81Å; V542-I593 HydrophobicContact CG2-CD1 4.35Å; L585-I593 HydrophobicContact CD1-CD1 4.35Å; I590-I593 HydrophobicContact CG2-CB 4.39Å; I593-T600 HydrophobicContact CD1-CG2 4.04Å; I593-T600 HydrophobicContact CG1-CG2 3.69Å; I593-A601 WeakPolarHBondContact CA-O 3.29Å; I593-A602 HydrophobicContact CB-CB 4.4Å; I593-A602 HydrophobicContact CG1-CB 4.26Å; I593-F612 HydrophobicContact CD1-CZ 4.33Å
594	T	96.6	Very high	95	Very high	22 Å²	22	33.2 Å²	33.2	14%	0.135	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	101.8	-179.3	63.1	0	0	0	0	110.2	V592 A601 V646	V592-T594 HydrophobicContact CG1-CG2 4.05Å; T594-A601 PolarHBondContact N-O 2.95Å; T594-A601 PolarHBondContact O-N 3Å; T594-A601 VanDerWaalsContact O-N 3.07Å; T594-V646 HydrophobicContact CG2-CG1 4.24Å; T594-V646 VanDerWaalsContact CG2-O 3.31Å; T594-V646 WeakPolarHBondContact CG2-O 3.43Å
595	P	96.1	Very high	95.1	Very high	18 Å²	18	36 Å²	36	12%	0.117	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	134	174.3	30	-34.2	0	0	0	111.8	C528 G529 F534	C528-P595 VanDerWaalsContact C-CG 3.49Å; G529-P595 VanDerWaalsContact CA-CG 3.49Å; G529-P595 VanDerWaalsContact N-CG 3.34Å; F534-P595 HydrophobicContact CD2-CB 4.06Å; F534-P595 HydrophobicContact CD2-CG 4.17Å; F534-P595 HydrophobicContact CE2-CB 3.83Å; F534-P595 HydrophobicContact CE2-CG 4.44Å
596	G	94.3	Very high	95	Very high	7 Å²	7	43.6 Å²	43.6	7%	0.072	20%	0.199	C	C	.	.			trans	-103.8	-171.5	163	0	0	0	0	0	111.4	T598 H599 C648	G596-T598 PolarHBondContact O-N 2.94Å; G596-H599 CarbonylContact C-O 3.54Å; G596-H599 VanDerWaalsContact CA-O 3.28Å; G596-H599 WeakPolarHBondContact CA-O 3.43Å; G596-H599 PolarHBondContact N-O 2.61Å; G596-C648 VanDerWaalsContact CA-O 3.31Å; G596-C648 WeakPolarHBondContact CA-O 3.32Å
597	K	94.3	Very high	95	Very high	73 Å²	73	43.5 Å²	43.5	32%	0.317	20%	0.199	S	C	.	.	S	Bend	trans	-69.5	-29.2	-173.1	-157.7	162.6	-164.2	149.9	0	114.3	E367 D650	E367-K597 IonicContact OE1-NZ 3.15Å; E367-K597 PolarHBondContact OE1-NZ 3.29Å; K597-D650 HydrophobicContact CB-CB 4.33Å; K597-D650 HydrophobicContact CD-CB 4.23Å
598	T	94.9	Very high	95.1	Very high	26 Å²	26	38.4 Å²	38.4	16%	0.16	18%	0.18	C	C	.	.	S	Bend	trans	-136.1	-4.5	-175.9	61.4	0	0	0	0	114.4	F550 G596 C614 Q619	F550-T598 HydrophobicContact CD2-CG2 4.43Å; F550-T598 HydrophobicContact CE2-CG2 4.24Å; G596-T598 PolarHBondContact O-N 2.94Å; T598-C614 WeakPolarHBondContact O-CB 3.27Å; T598-C614 PolarHBondContact O-N 3.44Å; T598-Q619 PolarHBondContact OG1-NE2 2.97Å
599	H	96.6	Very high	95.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	160.1	-176.7	70.9	-65.7	0	0	0	109.6	G596 F612 Q619 L620 G649 F652 T653	G596-H599 CarbonylContact C-O 3.54Å; G596-H599 VanDerWaalsContact CA-O 3.28Å; G596-H599 WeakPolarHBondContact CA-O 3.43Å; G596-H599 PolarHBondContact N-O 2.61Å; H599-F612 CarbonylContact C-O 3.52Å; H599-F612 VanDerWaalsContact CA-O 3.28Å; H599-F612 WeakPolarHBondContact CA-O 3.31Å; H599-F612 WeakPolarHBondContact CB-O 3.35Å; H599-Q619 HydrophobicContact CB-CG 4.13Å; H599-L620 HydrophobicContact CB-CD2 4.13Å; H599-G649 PolarHBondContact CE1-O 2.73Å; H599-F652 PolarHBondContact CE1-O 3.1Å; H599-F652 PolarHBondContact NE2-O 3.08Å; H599-T653 PolarHBondContact NE2-OG1 3.49Å
600	T	97.7	Very high	95.2	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.8	-178.4	-61.7	0	0	0	0	109.5	F534 K552 I593 T611 F612	F534-T600 HydrophobicContact CE2-CG2 3.97Å; F534-T600 HydrophobicContact CZ-CG2 3.83Å; K552-T600 WeakPolarHBondContact O-CB 3.46Å; K552-T600 PolarHBondContact O-OG1 2.87Å; I593-T600 HydrophobicContact CD1-CG2 4.04Å; I593-T600 HydrophobicContact CG1-CG2 3.69Å; T600-T611 WeakPolarHBondContact O-CA 3.31Å; T600-F612 HydrophobicContact CG2-CE1 3.9Å; T600-F612 HydrophobicContact CG2-CE2 3.96Å; T600-F612 HydrophobicContact CG2-CZ 3.42Å; T600-F612 VanDerWaalsContact CG2-CZ 3.42Å; T600-F612 PolarHBondContact N-O 3.42Å; T600-F612 PolarHBondContact O-N 3.04Å
601	A	97.6	Very high	95.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	153.4	168.4	0	0	0	0	0	111.2	I593 T594 L609 I610 T611 V646 C648	I593-A601 WeakPolarHBondContact CA-O 3.29Å; T594-A601 PolarHBondContact N-O 2.95Å; T594-A601 PolarHBondContact O-N 3Å; T594-A601 VanDerWaalsContact O-N 3.07Å; A601-L609 HydrophobicContact CB-CD1 4.02Å; A601-I610 CarbonylContact C-O 3.56Å; A601-I610 VanDerWaalsContact CA-O 3.29Å; A601-I610 WeakPolarHBondContact CA-O 3.38Å; A601-T611 HydrophobicContact CB-CG2 4.32Å; A601-V646 HydrophobicContact CB-CG1 4.05Å; A601-V646 HydrophobicContact CB-CG2 3.64Å; A601-C648 WeakPolarHBondContact CB-SG 3.31Å
602	A	97.5	Very high	95.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	151	173	0	0	0	0	0	111.1	I590 V592 I593 I610	I590-A602 HydrophobicContact CD1-CB 4.13Å; I590-A602 HydrophobicContact CG2-CB 4.06Å; V592-A602 CarbonylContact O-C 3.58Å; V592-A602 WeakPolarHBondContact O-CA 3.35Å; V592-A602 WeakPolarHBondContact O-CB 3.35Å; I593-A602 HydrophobicContact CB-CB 4.4Å; I593-A602 HydrophobicContact CG1-CB 4.26Å; A602-I610 PolarHBondContact N-O 3.05Å; A602-I610 PolarHBondContact O-N 3.1Å
603	I	96.1	Very high	95.2	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.021	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.4	174.7	-56.2	171.4	0	0	0	108	Q591 V592 V643 V646	Q591-I603 PolarHBondContact N-O 3.17Å; V592-I603 HydrophobicContact CB-CB 4.28Å; V592-I603 HydrophobicContact CB-CD1 4.48Å; V592-I603 PolarHBondContact N-O 3.21Å; V592-I603 PolarHBondContact O-N 3.24Å; I603-V643 HydrophobicContact CD1-CG1 3.89Å; I603-V643 HydrophobicContact CG1-CG1 4.36Å; I603-V646 HydrophobicContact CD1-CB 4.19Å; I603-V646 HydrophobicContact CD1-CG1 3.73Å; I603-V646 HydrophobicContact CG1-CG1 3.8Å
604	D	94.6	Very high	95.1	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	174.6	177.1	87.2	-17.1	0	0	0	113.7	F588 K589 I590 R606 G607 R608 I610	F588-D604 HydrophobicContact CB-CB 4.46Å; K589-D604 CarbonylContact O-C 3.55Å; K589-D604 WeakPolarHBondContact O-CA 3.48Å; K589-D604 WeakPolarHBondContact O-CB 3.34Å; I590-D604 HydrophobicContact CD1-CB 4.33Å; D604-R606 PolarHBondContact O-N 2.95Å; D604-R606 WeakPolarHBondContact OD1-CA 3.24Å; D604-R606 WeakPolarHBondContact OD1-CB 3.33Å; D604-R606 PolarHBondContact OD1-N 3.47Å; D604-G607 PolarHBondContact O-N 2.94Å; D604-R608 PolarHBondContact N-O 3.13Å; D604-R608 VanDerWaalsContact OD1-CB 3.28Å; D604-R608 WeakPolarHBondContact OD1-CB 3.39Å; D604-R608 PolarHBondContact OD1-N 3.42Å; D604-R608 IonicContact OD1-NE 2.74Å; D604-R608 IonicContact OD2-CZ 2.76Å; D604-R608 IonicContact OD2-NE 3.93Å; D604-R608 PolarHBondContact OD2-NE 2.89Å; D604-R608 IonicContact OD2-NH2 3.08Å; D604-R608 PolarHBondContact OD2-NH2 3.41Å; D604-I610 HydrophobicContact CB-CD1 4.42Å
605	E	92.6	Very high	95	Very high	82 Å²	82	23.6 Å²	23.6	38%	0.383	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-8.2	178.8	77.1	178	171.5	0	0	115.4	K589	K589-E605 HydrophobicContact CB-CB 4.37Å; K589-E605 HydrophobicContact CB-CG 4.42Å; K589-E605 VanDerWaalsContact CD-CD 3.46Å; K589-E605 HydrophobicContact CD-CG 4.42Å; K589-E605 WeakPolarHBondContact CD-OE2 3.25Å; K589-E605 WeakPolarHBondContact CE-OE2 3.46Å; K589-E605 IonicContact NZ-OE1 3.59Å; K589-E605 IonicContact NZ-OE2 2.76Å; K589-E605 PolarHBondContact NZ-OE2 3.25Å; K589-E605 PolarHBondContact O-N 2.89Å
606	R	90.4	Very high	94.8	Very high	164 Å²	164	29.4 Å²	29.4	62%	0.619	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117	16.6	-176.9	-47.7	-174.2	-175.9	-161.4	-3.4	112.1	D604 R608	D604-R606 PolarHBondContact O-N 2.95Å; D604-R606 WeakPolarHBondContact OD1-CA 3.24Å; D604-R606 WeakPolarHBondContact OD1-CB 3.33Å; D604-R606 PolarHBondContact OD1-N 3.47Å; R606-R608 HydrophobicContact CB-CG 4.18Å; R606-R608 PolarHBondContact O-N 2.94Å
607	G	90.6	Very high	94.7	Very high	11 Å²	11	32.4 Å²	32.4	11%	0.113	14%	0.143	C	C	.	.			trans	65.5	16.3	-177.6	0	0	0	0	0	114.1	D604 V643	D604-G607 PolarHBondContact O-N 2.94Å; G607-V643 PolarHBondContact O-N 3.33Å
608	R	92.9	Very high	94.6	Very high	83 Å²	83	29 Å²	29	31%	0.313	13%	0.128	S	C	.	.			trans	-82.3	124.8	-178.9	-59	-177	-64.1	176.8	-1.7	110	D604 R606 V633	D604-R608 PolarHBondContact N-O 3.13Å; D604-R608 VanDerWaalsContact OD1-CB 3.28Å; D604-R608 WeakPolarHBondContact OD1-CB 3.39Å; D604-R608 PolarHBondContact OD1-N 3.42Å; D604-R608 IonicContact OD1-NE 2.74Å; D604-R608 IonicContact OD2-CZ 2.76Å; D604-R608 IonicContact OD2-NE 3.93Å; D604-R608 PolarHBondContact OD2-NE 2.89Å; D604-R608 IonicContact OD2-NH2 3.08Å; D604-R608 PolarHBondContact OD2-NH2 3.41Å; R606-R608 HydrophobicContact CB-CG 4.18Å; R606-R608 PolarHBondContact O-N 2.94Å; R608-V633 HydrophobicContact CB-CG1 4.48Å
609	L	95.4	Very high	94.6	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	128.1	174.3	-179.7	61.5	0	0	0	111.5	A601 T611 L634 F638 V643 V646 W665	A601-L609 HydrophobicContact CB-CD1 4.02Å; L609-T611 HydrophobicContact CD1-CG2 4.38Å; L609-T611 HydrophobicContact CG-CG2 4.21Å; L609-L634 HydrophobicContact CB-CB 4.46Å; L609-L634 HydrophobicContact CD2-CD2 3.9Å; L609-L634 HydrophobicContact CG-CD2 4.44Å; L609-L634 PolarHBondContact O-N 3.42Å; L609-F638 HydrophobicContact CB-CE2 4.19Å; L609-F638 HydrophobicContact CD2-CE2 3.82Å; L609-F638 HydrophobicContact CD2-CZ 3.66Å; L609-V643 HydrophobicContact CB-CB 4.39Å; L609-V643 HydrophobicContact CB-CG2 4.04Å; L609-V646 HydrophobicContact CD1-CB 4.2Å; L609-V646 HydrophobicContact CD1-CG1 4.27Å; L609-V646 HydrophobicContact CD1-CG2 3.9Å; L609-W665 HydrophobicContact CD2-CH2 3.49Å; L609-W665 VanDerWaalsContact CD2-CH2 3.49Å; L609-W665 HydrophobicContact CD2-CZ2 3.7Å
610	I	95.9	Very high	94.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.2	177.1	-53.4	173.6	0	0	0	107.8	L585 F588 I590 A601 A602 D604 V631 Q632 V633	L585-I610 HydrophobicContact CD2-CG2 3.99Å; F588-I610 HydrophobicContact CB-CD1 4.17Å; F588-I610 HydrophobicContact CD1-CD1 3.55Å; F588-I610 HydrophobicContact CD2-CD1 3.81Å; F588-I610 HydrophobicContact CE1-CD1 3.8Å; F588-I610 HydrophobicContact CE2-CD1 4.04Å; F588-I610 HydrophobicContact CG-CD1 3.57Å; F588-I610 HydrophobicContact CZ-CD1 4.04Å; I590-I610 HydrophobicContact CD1-CD1 3.88Å; A601-I610 CarbonylContact C-O 3.56Å; A601-I610 VanDerWaalsContact CA-O 3.29Å; A601-I610 WeakPolarHBondContact CA-O 3.38Å; A602-I610 PolarHBondContact N-O 3.05Å; A602-I610 PolarHBondContact O-N 3.1Å; D604-I610 HydrophobicContact CB-CD1 4.42Å; I610-V631 HydrophobicContact CG2-CB 4.03Å; I610-Q632 CarbonylContact C-O 3.54Å; I610-Q632 VanDerWaalsContact CA-O 3.24Å; I610-Q632 WeakPolarHBondContact CA-O 3.14Å; I610-Q632 WeakPolarHBondContact CG2-O 3.29Å; I610-V633 HydrophobicContact CG1-CG2 4.39Å
611	T	96.8	Very high	94.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	144.1	179.9	61.1	0	0	0	0	111.7	T600 A601 L609 L620 Q632 L634	T600-T611 WeakPolarHBondContact O-CA 3.31Å; A601-T611 HydrophobicContact CB-CG2 4.32Å; L609-T611 HydrophobicContact CD1-CG2 4.38Å; L609-T611 HydrophobicContact CG-CG2 4.21Å; T611-L620 PolarHBondContact OG1-O 3.04Å; T611-L620 VanDerWaalsContact OG1-O 3.05Å; T611-Q632 PolarHBondContact N-O 3.35Å; T611-Q632 WeakPolarHBondContact O-CB 3.23Å; T611-Q632 PolarHBondContact O-N 2.98Å; T611-L634 HydrophobicContact CG2-CD1 4.24Å; T611-L634 HydrophobicContact CG2-CD2 4.45Å; T611-L634 WeakPolarHBondContact OG1-CD1 3.47Å
612	F	95.9	Very high	93.9	Very high	1 Å²	1	29.5 Å²	29.5	0%	0.004	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	160.8	179.2	52.2	-80.7	0	0	0	112.9	F534 K552 L585 I593 H599 T600 V631	F534-F612 HydrophobicContact CE1-CE2 4.43Å; F534-F612 HydrophobicContact CE1-CZ 4.34Å; F534-F612 HydrophobicContact CZ-CE2 4.13Å; F534-F612 HydrophobicContact CZ-CZ 4.22Å; K552-F612 VanDerWaalsContact O-CE2 3.25Å; K552-F612 WeakPolarHBondContact O-CE2 3.32Å; L585-F612 HydrophobicContact CD1-CE1 3.99Å; L585-F612 HydrophobicContact CD1-CZ 3.88Å; L585-F612 HydrophobicContact CD2-CE1 4.11Å; L585-F612 HydrophobicContact CG-CE1 4.46Å; I593-F612 HydrophobicContact CD1-CZ 4.33Å; H599-F612 CarbonylContact C-O 3.52Å; H599-F612 VanDerWaalsContact CA-O 3.28Å; H599-F612 WeakPolarHBondContact CA-O 3.31Å; H599-F612 WeakPolarHBondContact CB-O 3.35Å; T600-F612 HydrophobicContact CG2-CE1 3.9Å; T600-F612 HydrophobicContact CG2-CE2 3.96Å; T600-F612 HydrophobicContact CG2-CZ 3.42Å; T600-F612 VanDerWaalsContact CG2-CZ 3.42Å; T600-F612 PolarHBondContact N-O 3.42Å; T600-F612 PolarHBondContact O-N 3.04Å; F612-V631 HydrophobicContact CB-CB 4.48Å; F612-V631 HydrophobicContact CB-CG1 3.93Å; F612-V631 HydrophobicContact CD1-CG1 3.89Å; F612-V631 HydrophobicContact CG-CG1 3.96Å
613	G	95.1	Very high	93.5	Very high	4 Å²	4	37.7 Å²	37.7	4%	0.041	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	108.7	-144.9	-177	0	0	0	0	0	112.9	F550	F550-G613 CarbonylContact O-C 3.38Å; F550-G613 VanDerWaalsContact O-CA 3.28Å; F550-G613 WeakPolarHBondContact O-CA 3.41Å
614	C	94.5	Very high	93.1	Very high	15 Å²	15	39.1 Å²	39.1	10%	0.101	18%	0.175	C	C	.	.			trans	-66.1	144.7	179.6	-170.3	0	0	0	0	112.4	F550 T598 Q619	F550-C614 HydrophobicContact CB-CB 3.8Å; F550-C614 HydrophobicContact CD1-CB 4.19Å; F550-C614 HydrophobicContact CD2-CB 4.24Å; F550-C614 HydrophobicContact CG-CB 3.8Å; T598-C614 WeakPolarHBondContact O-CB 3.27Å; T598-C614 PolarHBondContact O-N 3.44Å; C614-Q619 VanDerWaalsContact O-CG 3.28Å; C614-Q619 WeakPolarHBondContact O-CG 3.39Å; C614-Q619 PolarHBondContact O-NE2 3.44Å
615	N	94.6	Very high	92.9	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	20%	0.199	C	C	.	.			trans	-131.6	18.6	176.5	-163.5	37.3	0	0	0	113.1	Y617 G618 Q619 L620 D624 F625 K626	N615-Y617 PolarHBondContact O-N 2.89Å; N615-Y617 VanDerWaalsContact O-N 3.09Å; N615-G618 PolarHBondContact O-N 2.84Å; N615-G618 WeakPolarHBondContact OD1-CA 3.37Å; N615-Q619 VanDerWaalsContact CA-OE1 3.27Å; N615-Q619 PolarHBondContact OD1-N 3.01Å; N615-L620 HydrophobicContact CB-CB 4.47Å; N615-L620 HydrophobicContact CB-CD1 3.75Å; N615-L620 HydrophobicContact CB-CG 3.76Å; N615-L620 WeakPolarHBondContact OD1-CB 3.23Å; N615-L620 PolarHBondContact OD1-N 3.4Å; N615-L620 VanDerWaalsContact OD1-N 3.09Å; N615-D624 PolarHBondContact ND2-O 2.65Å; N615-D624 PolarHBondContact ND2-OD1 2.59Å; N615-F625 WeakPolarHBondContact O-CA 3.31Å; N615-K626 VanDerWaalsContact CB-O 3.29Å; N615-K626 WeakPolarHBondContact CB-O 3.26Å; N615-K626 PolarHBondContact ND2-O 3.43Å
616	K	92.9	Very high	92.8	Very high	139 Å²	139	47.7 Å²	47.7	60%	0.604	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-30.8	-175.6	-177.5	-176.3	174.5	-162.3	0	113.4
617	Y	91.8	Very high	92.6	Very high	71 Å²	71	48 Å²	48	28%	0.278	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	10.4	179.8	-56.2	-77	0	0	0	112.4	N615 Q619 G666 N667 C686	N615-Y617 PolarHBondContact O-N 2.89Å; N615-Y617 VanDerWaalsContact O-N 3.09Å; Y617-Q619 VanDerWaalsContact C-N 3.3Å; Y617-G666 CarbonylContact O-C 3.59Å; Y617-G666 VanDerWaalsContact O-CA 3.29Å; Y617-G666 WeakPolarHBondContact O-CA 3.48Å; Y617-N667 HydrophobicContact CD1-CB 4.11Å; Y617-N667 HydrophobicContact CD2-CB 4.25Å; Y617-N667 HydrophobicContact CG-CB 3.8Å; Y617-C686 WeakPolarHBondContact O-CB 3.33Å
618	G	91.7	Very high	92.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	76.6	16.1	-175.6	0	0	0	0	0	113.5	N615 L620 G621	N615-G618 PolarHBondContact O-N 2.84Å; N615-G618 WeakPolarHBondContact OD1-CA 3.37Å; G618-L620 PolarHBondContact O-N 3.22Å; G618-L620 VanDerWaalsContact O-N 3.16Å; G618-G621 PolarHBondContact O-N 2.65Å
619	Q	94.4	Very high	91.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-11.3	-171.1	69.2	-97.9	46.8	0	0	115.3	T598 H599 C614 N615 Y617 G621 G651 T653 W665	T598-Q619 PolarHBondContact OG1-NE2 2.97Å; H599-Q619 HydrophobicContact CB-CG 4.13Å; C614-Q619 VanDerWaalsContact O-CG 3.28Å; C614-Q619 WeakPolarHBondContact O-CG 3.39Å; C614-Q619 PolarHBondContact O-NE2 3.44Å; N615-Q619 VanDerWaalsContact CA-OE1 3.27Å; N615-Q619 PolarHBondContact OD1-N 3.01Å; Y617-Q619 VanDerWaalsContact C-N 3.3Å; Q619-G621 VanDerWaalsContact C-N 3.3Å; Q619-G651 VanDerWaalsContact CB-O 3.31Å; Q619-G651 WeakPolarHBondContact CB-O 3.34Å; Q619-T653 PolarHBondContact O-OG1 2.86Å; Q619-W665 PolarHBondContact O-NE1 2.96Å
620	L	94.3	Very high	91.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-19.3	167.6	-55.7	-172.2	0	0	0	112	H599 T611 N615 G618 V622 H628 Q632 L634	H599-L620 HydrophobicContact CB-CD2 4.13Å; T611-L620 PolarHBondContact OG1-O 3.04Å; T611-L620 VanDerWaalsContact OG1-O 3.05Å; N615-L620 HydrophobicContact CB-CB 4.47Å; N615-L620 HydrophobicContact CB-CD1 3.75Å; N615-L620 HydrophobicContact CB-CG 3.76Å; N615-L620 WeakPolarHBondContact OD1-CB 3.23Å; N615-L620 PolarHBondContact OD1-N 3.4Å; N615-L620 VanDerWaalsContact OD1-N 3.09Å; G618-L620 PolarHBondContact O-N 3.22Å; G618-L620 VanDerWaalsContact O-N 3.16Å; L620-V622 HydrophobicContact CB-CG1 4.24Å; L620-V622 HydrophobicContact CB-CG2 4.26Å; L620-H628 HydrophobicContact CD1-CB 4.29Å; L620-Q632 HydrophobicContact CD1-CG 4.23Å; L620-L634 WeakPolarHBondContact O-CD1 3.23Å; L620-L634 WeakPolarHBondContact O-CD2 3.46Å
621	G	92.4	Very high	90.9	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.01	23%	0.227	C	C	.	.			trans	78.4	21.3	174.5	0	0	0	0	0	115.1	G618 Q619 A688	G618-G621 PolarHBondContact O-N 2.65Å; Q619-G621 VanDerWaalsContact C-N 3.3Å; G621-A688 CarbonylContact C-O 3.36Å; G621-A688 WeakPolarHBondContact CA-O 3.34Å
622	V	90.9	Very high	90.7	Very high	37 Å²	37	52.3 Å²	52.3	22%	0.224	24%	0.238	C	C	.	.	S	Bend	trans	-97.3	21.5	-171.3	-62.7	0	0	0	0	114.9	L620 D624 H628 Q632 L634 A688	L620-V622 HydrophobicContact CB-CG1 4.24Å; L620-V622 HydrophobicContact CB-CG2 4.26Å; V622-D624 PolarHBondContact O-N 3.28Å; V622-H628 WeakPolarHBondContact CG2-NE2 3.49Å; V622-Q632 HydrophobicContact CG1-CB 3.74Å; V622-Q632 HydrophobicContact CG1-CG 3.93Å; V622-L634 HydrophobicContact CG1-CD1 4.02Å; V622-A688 PolarHBondContact N-O 3.21Å
623	K	88.7	Confident	90.5	Very high	172 Å²	172	54.6 Å²	54.6	75%	0.748	25%	0.252	S	S	*	.	S	Bend	trans	66.1	10.4	-178.8	-151.3	-179.9	174	-176.4	0	115.6	A688 M689	K623-A688 WeakPolarHBondContact CA-O 3Å; K623-A688 PolarHBondContact N-O 3.28Å; K623-M689 HydrophobicContact CB-CG 3.85Å; K623-M689 HydrophobicContact CB-SD 3.66Å; K623-M689 HydrophobicContact CG-CG 3.82Å; K623-M689 HydrophobicContact CG-SD 4.08Å
624	D	88.3	Confident	90.2	Very high	35 Å²	35	55.1 Å²	55.1	19%	0.187	25%	0.254	C	S	.	.	S	Bend	trans	-142.8	172.8	170.9	77.7	33.4	0	0	0	113.2	N615 V622 K626 H628	N615-D624 PolarHBondContact ND2-O 2.65Å; N615-D624 PolarHBondContact ND2-OD1 2.59Å; V622-D624 PolarHBondContact O-N 3.28Å; D624-K626 HydrophobicContact CB-CG 4.22Å; D624-K626 WeakPolarHBondContact OD1-CB 3.16Å; D624-K626 PolarHBondContact OD1-N 3.32Å; D624-K626 WeakPolarHBondContact OD2-CD 3.35Å; D624-H628 IonicContact OD1-CD2 2.7Å; D624-H628 IonicContact OD1-CE1 3.18Å; D624-H628 IonicContact OD1-NE2 2.76Å; D624-H628 PolarHBondContact OD1-NE2 3.27Å; D624-H628 IonicContact OD2-CE1 2.65Å; D624-H628 IonicContact OD2-NE2 3.79Å; D624-H628 PolarHBondContact OD2-NE2 3.27Å
625	F	90.6	Very high	89	Confident	117 Å²	117	60.6 Å²	60.6	51%	0.513	28%	0.282	S	S	.	.			trans	-108.8	17.2	176.4	-53	-89.1	0	0	0	111.9	N615 C686 A688	N615-F625 WeakPolarHBondContact O-CA 3.31Å; F625-C686 HydrophobicContact CE1-CB 4.16Å; F625-C686 WeakPolarHBondContact CE1-O 3.39Å; F625-C686 VanDerWaalsContact CZ-O 3.26Å; F625-C686 WeakPolarHBondContact CZ-O 3.43Å; F625-A688 HydrophobicContact CD1-CB 4.36Å; F625-A688 HydrophobicContact CE1-CB 3.91Å; F625-A688 HydrophobicContact CE2-CB 4.08Å; F625-A688 HydrophobicContact CZ-CB 3.76Å
626	K	89.8	Confident	87.8	Confident	145 Å²	145	63 Å²	63	63%	0.63	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-80.6	152.7	-174.7	-61.9	179.2	-173.6	167.6	0	110.2	N615 D624 H628	N615-K626 VanDerWaalsContact CB-O 3.29Å; N615-K626 WeakPolarHBondContact CB-O 3.26Å; N615-K626 PolarHBondContact ND2-O 3.43Å; D624-K626 HydrophobicContact CB-CG 4.22Å; D624-K626 WeakPolarHBondContact OD1-CB 3.16Å; D624-K626 PolarHBondContact OD1-N 3.32Å; D624-K626 WeakPolarHBondContact OD2-CD 3.35Å; K626-H628 PolarHBondContact O-CD2 3.17Å; K626-H628 PolarHBondContact O-N 3.07Å
627	R	87.4	Confident	86.8	Confident	170 Å²	170	58 Å²	58	64%	0.642	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-71.5	117.8	170.7	177.5	177.2	170.4	165.4	-1.3	109.6
628	H	87.8	Confident	86.3	Confident	40 Å²	40	55 Å²	55	19%	0.185	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-98.1	134	170.2	-63.9	-80.8	0	0	0	109.2	L620 V622 D624 K626 Q632	L620-H628 HydrophobicContact CD1-CB 4.29Å; V622-H628 WeakPolarHBondContact CG2-NE2 3.49Å; D624-H628 IonicContact OD1-CD2 2.7Å; D624-H628 IonicContact OD1-CE1 3.18Å; D624-H628 IonicContact OD1-NE2 2.76Å; D624-H628 PolarHBondContact OD1-NE2 3.27Å; D624-H628 IonicContact OD2-CE1 2.65Å; D624-H628 IonicContact OD2-NE2 3.79Å; D624-H628 PolarHBondContact OD2-NE2 3.27Å; K626-H628 PolarHBondContact O-CD2 3.17Å; K626-H628 PolarHBondContact O-N 3.07Å; H628-Q632 HydrophobicContact CB-CG 4.21Å
629	Q	76.5	Confident	85.3	Confident	64 Å²	64	58.2 Å²	58.2	30%	0.299	31%	0.311	S	S	.	.	S	Bend	trans	-90.2	-21.3	-179.6	-57.2	-73.1	24.1	0	0	112.7	N551 Y570 Q584	N551-Q629 PolarHBondContact ND2-O 3.47Å; Y570-Q629 HydrophobicContact CD1-CB 4.21Å; Y570-Q629 HydrophobicContact CD2-CB 3.84Å; Y570-Q629 HydrophobicContact CD2-CG 4.01Å; Y570-Q629 HydrophobicContact CE1-CB 4.26Å; Y570-Q629 HydrophobicContact CE2-CB 3.88Å; Y570-Q629 HydrophobicContact CE2-CG 4.31Å; Y570-Q629 HydrophobicContact CG-CB 4.01Å; Y570-Q629 HydrophobicContact CG-CG 4.42Å; Q584-Q629 PolarHBondContact NE2-O 3.03Å
630	G	83.6	Confident	84.3	Confident	18 Å²	18	61.8 Å²	61.8	19%	0.186	35%	0.347	C	S	.	.	S	Bend	trans	-112.5	161.2	-178.5	0	0	0	0	0	113.6	Q584 Q632	Q584-G630 VanDerWaalsContact OE1-CA 3.24Å; G630-Q632 PolarHBondContact O-NE2 3Å
631	V	91.3	Very high	83.8	Confident	15 Å²	15	65.3 Å²	65.3	9%	0.091	36%	0.363	C	S	.	.			trans	-55.7	134.7	171.9	-63.5	0	0	0	0	112.7	Q584 L585 F588 I610 F612	Q584-V631 HydrophobicContact CB-CG1 3.82Å; Q584-V631 HydrophobicContact CB-CG2 4.24Å; L585-V631 HydrophobicContact CD2-CG1 3.87Å; L585-V631 HydrophobicContact CG-CG1 4.39Å; F588-V631 HydrophobicContact CE2-CG2 4.32Å; I610-V631 HydrophobicContact CG2-CB 4.03Å; F612-V631 HydrophobicContact CB-CB 4.48Å; F612-V631 HydrophobicContact CB-CG1 3.93Å; F612-V631 HydrophobicContact CD1-CG1 3.89Å; F612-V631 HydrophobicContact CG-CG1 3.96Å
632	Q	93.4	Very high	83.6	Confident	50 Å²	50	66.9 Å²	66.9	23%	0.234	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	139.1	179.7	-56.5	-58	-55.4	0	0	110.1	I610 T611 L620 V622 H628 G630 L634	I610-Q632 CarbonylContact C-O 3.54Å; I610-Q632 VanDerWaalsContact CA-O 3.24Å; I610-Q632 WeakPolarHBondContact CA-O 3.14Å; I610-Q632 WeakPolarHBondContact CG2-O 3.29Å; T611-Q632 PolarHBondContact N-O 3.35Å; T611-Q632 WeakPolarHBondContact O-CB 3.23Å; T611-Q632 PolarHBondContact O-N 2.98Å; L620-Q632 HydrophobicContact CD1-CG 4.23Å; V622-Q632 HydrophobicContact CG1-CB 3.74Å; V622-Q632 HydrophobicContact CG1-CG 3.93Å; H628-Q632 HydrophobicContact CB-CG 4.21Å; G630-Q632 PolarHBondContact O-NE2 3Å; Q632-L634 HydrophobicContact CB-CD1 4.4Å
633	V	91.7	Very high	83.7	Confident	50 Å²	50	65.2 Å²	65.2	30%	0.303	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.6	178.1	-171.5	0	0	0	0	109	F588 R608 I610 L635	F588-V633 HydrophobicContact CE1-CG2 4.09Å; F588-V633 HydrophobicContact CZ-CG2 3.74Å; R608-V633 HydrophobicContact CB-CG1 4.48Å; I610-V633 HydrophobicContact CG1-CG2 4.39Å; V633-L635 VanDerWaalsContact C-N 3.35Å; V633-L635 HydrophobicContact CG1-CD2 3.97Å; V633-L635 HydrophobicContact CG1-CG 4.07Å; V633-L635 PolarHBondContact O-N 2.88Å
634	L	87.7	Confident	83.8	Confident	14 Å²	14	59.1 Å²	59.1	7%	0.073	34%	0.342	C	S	.	.			trans	-85.8	75.8	-170.7	-87.7	60.7	0	0	0	111.4	L609 T611 L620 V622 Q632 P637 F638 W665 P690	L609-L634 HydrophobicContact CB-CB 4.46Å; L609-L634 HydrophobicContact CD2-CD2 3.9Å; L609-L634 HydrophobicContact CG-CD2 4.44Å; L609-L634 PolarHBondContact O-N 3.42Å; T611-L634 HydrophobicContact CG2-CD1 4.24Å; T611-L634 HydrophobicContact CG2-CD2 4.45Å; T611-L634 WeakPolarHBondContact OG1-CD1 3.47Å; L620-L634 WeakPolarHBondContact O-CD1 3.23Å; L620-L634 WeakPolarHBondContact O-CD2 3.46Å; V622-L634 HydrophobicContact CG1-CD1 4.02Å; Q632-L634 HydrophobicContact CB-CD1 4.4Å; L634-P637 HydrophobicContact CB-CG 4.36Å; L634-F638 HydrophobicContact CB-CE2 4.07Å; L634-F638 HydrophobicContact CD2-CE2 4.39Å; L634-W665 HydrophobicContact CD2-CZ2 4.08Å; L634-P690 HydrophobicContact CD2-CG 4.23Å
635	L	70.2	Confident	84.1	Confident	131 Å²	131	60.5 Å²	60.5	69%	0.686	35%	0.346	S	S	*	.			trans	-85	115.5	175.2	-57.6	179.1	0	0	0	110.5	V633 P637	V633-L635 VanDerWaalsContact C-N 3.35Å; V633-L635 HydrophobicContact CG1-CD2 3.97Å; V633-L635 HydrophobicContact CG1-CG 4.07Å; V633-L635 PolarHBondContact O-N 2.88Å; L635-P637 WeakPolarHBondContact O-CD 3.11Å
636	G	69	Low	84.3	Confident	55 Å²	55	55.3 Å²	55.3	57%	0.567	32%	0.324	S	S	*	.	S	Bend	trans	110	-34.3	173.1	0	0	0	0	0	118.2	F638 G639	G636-F638 PolarHBondContact O-N 3Å; G636-F638 VanDerWaalsContact O-N 3.13Å; G636-G639 PolarHBondContact O-N 2.87Å
637	P	72.1	Confident	84.7	Confident	32 Å²	32	49 Å²	49	21%	0.208	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-33.2	-179.5	-27.1	33.6	0	0	0	114.3	L634 L635 G639 M689 P690	L634-P637 HydrophobicContact CB-CG 4.36Å; L635-P637 WeakPolarHBondContact O-CD 3.11Å; P637-G639 VanDerWaalsContact C-N 3.33Å; P637-M689 HydrophobicContact CB-CE 4.02Å; P637-M689 HydrophobicContact CG-CE 3.9Å; P637-P690 HydrophobicContact CB-CB 4.12Å; P637-P690 HydrophobicContact CB-CG 3.69Å; P637-P690 HydrophobicContact CG-CG 4.32Å
638	F	79.9	Confident	85.1	Confident	9 Å²	9	41 Å²	41	4%	0.039	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	10.9	179.6	-49.4	-69.5	0	0	0	113.2	L609 L634 G636 G640 K641 V643 T657 F663 W665 P690	L609-F638 HydrophobicContact CB-CE2 4.19Å; L609-F638 HydrophobicContact CD2-CE2 3.82Å; L609-F638 HydrophobicContact CD2-CZ 3.66Å; L634-F638 HydrophobicContact CB-CE2 4.07Å; L634-F638 HydrophobicContact CD2-CE2 4.39Å; G636-F638 PolarHBondContact O-N 3Å; G636-F638 VanDerWaalsContact O-N 3.13Å; F638-G640 VanDerWaalsContact C-N 3.25Å; F638-G640 PolarHBondContact O-N 2.82Å; F638-K641 HydrophobicContact CB-CB 4.42Å; F638-K641 WeakPolarHBondContact O-CB 3.41Å; F638-K641 VanDerWaalsContact O-CD 3.29Å; F638-K641 WeakPolarHBondContact O-CD 3.32Å; F638-K641 WeakPolarHBondContact O-CG 3.39Å; F638-K641 PolarHBondContact O-N 2.93Å; F638-V643 HydrophobicContact CD1-CG2 4.26Å; F638-V643 HydrophobicContact CD2-CG2 3.77Å; F638-V643 HydrophobicContact CE1-CG2 4.28Å; F638-V643 HydrophobicContact CE2-CG2 3.79Å; F638-V643 HydrophobicContact CG-CG2 4.02Å; F638-V643 HydrophobicContact CZ-CG2 4.06Å; F638-T657 HydrophobicContact CB-CG2 4.2Å; F638-T657 HydrophobicContact CD1-CG2 4.01Å; F638-T657 HydrophobicContact CG-CG2 4.31Å; F638-F663 HydrophobicContact CD1-CD1 4.34Å; F638-F663 AromaticContact CD1-CD2 3.83Å; F638-F663 HydrophobicContact CD1-CD2 3.83Å; F638-F663 HydrophobicContact CD1-CE1 4.37Å; F638-F663 AromaticContact CD1-CE2 3.87Å; F638-F663 HydrophobicContact CD1-CE2 3.87Å; F638-F663 HydrophobicContact CD1-CG 4.08Å; F638-F663 HydrophobicContact CD1-CZ 4.15Å; F638-F663 HydrophobicContact CE1-CB 4.15Å; F638-F663 HydrophobicContact CE1-CD1 4.34Å; F638-F663 AromaticContact CE1-CD2 3.95Å; F638-F663 HydrophobicContact CE1-CD2 3.95Å; F638-F663 HydrophobicContact CE1-CE2 4.46Å; F638-F663 AromaticContact CE1-CG 3.9Å; F638-F663 HydrophobicContact CE1-CG 3.9Å; F638-W665 HydrophobicContact CE1-CZ3 4.41Å; F638-W665 HydrophobicContact CZ-CH2 4.03Å; F638-W665 HydrophobicContact CZ-CZ3 4.27Å; F638-P690 HydrophobicContact CE1-CB 3.91Å; F638-P690 HydrophobicContact CE1-CG 4.12Å; F638-P690 HydrophobicContact CZ-CB 4.15Å; F638-P690 HydrophobicContact CZ-CG 3.83Å
639	G	71	Confident	85.4	Confident	68 Å²	68	39.2 Å²	39.2	70%	0.701	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	21.5	179.7	0	0	0	0	0	114.9	G636 P637	G636-G639 PolarHBondContact O-N 2.87Å; P637-G639 VanDerWaalsContact C-N 3.33Å
640	G	74.8	Confident	86.2	Confident	74 Å²	74	38.1 Å²	38.1	76%	0.763	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	91	0.2	-175.8	0	0	0	0	0	115.1	F638	F638-G640 VanDerWaalsContact C-N 3.25Å; F638-G640 PolarHBondContact O-N 2.82Å
641	K	83.2	Confident	86.6	Confident	75 Å²	75	37.2 Å²	37.2	33%	0.326	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-77.6	148.7	179.1	-54.6	169.5	-168.3	-176.2	0	112.4	F638 T657 D659	F638-K641 HydrophobicContact CB-CB 4.42Å; F638-K641 WeakPolarHBondContact O-CB 3.41Å; F638-K641 VanDerWaalsContact O-CD 3.29Å; F638-K641 WeakPolarHBondContact O-CD 3.32Å; F638-K641 WeakPolarHBondContact O-CG 3.39Å; F638-K641 PolarHBondContact O-N 2.93Å; K641-T657 HydrophobicContact CB-CG2 4.3Å; K641-D659 WeakPolarHBondContact CD-OD1 3.35Å; K641-D659 WeakPolarHBondContact CE-OD2 3.33Å; K641-D659 IonicContact NZ-OD1 2.87Å; K641-D659 IonicContact NZ-OD2 3.89Å; K641-D659 PolarHBondContact NZ-OD2 3.23Å
642	S	88.7	Confident	86.8	Confident	33 Å²	33	36.5 Å²	36.5	23%	0.231	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-66.8	141.2	169.9	-43	0	0	0	0	111.9	T657 E658	S642-T657 VanDerWaalsContact O-CA 3.3Å; S642-T657 WeakPolarHBondContact O-CA 3.33Å; S642-T657 WeakPolarHBondContact O-CB 3.31Å; S642-T657 WeakPolarHBondContact O-CG2 3.34Å; S642-E658 VanDerWaalsContact CB-OE1 3.24Å; S642-E658 WeakPolarHBondContact CB-OE1 3.47Å; S642-E658 VanDerWaalsContact CB-OE2 3.25Å; S642-E658 WeakPolarHBondContact CB-OE2 3.33Å; S642-E658 PolarHBondContact O-N 2.85Å; S642-E658 PolarHBondContact OG-OE1 2.95Å; S642-E658 PolarHBondContact OG-OE2 3.11Å
643	V	91.9	Very high	86.9	Confident	3 Å²	3	34.1 Å²	34.1	2%	0.018	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	122.8	168.5	177.8	0	0	0	0	108.7	I603 G607 L609 F638 K645 A655 A656 T657	I603-V643 HydrophobicContact CD1-CG1 3.89Å; I603-V643 HydrophobicContact CG1-CG1 4.36Å; G607-V643 PolarHBondContact O-N 3.33Å; L609-V643 HydrophobicContact CB-CB 4.39Å; L609-V643 HydrophobicContact CB-CG2 4.04Å; F638-V643 HydrophobicContact CD1-CG2 4.26Å; F638-V643 HydrophobicContact CD2-CG2 3.77Å; F638-V643 HydrophobicContact CE1-CG2 4.28Å; F638-V643 HydrophobicContact CE2-CG2 3.79Å; F638-V643 HydrophobicContact CG-CG2 4.02Å; F638-V643 HydrophobicContact CZ-CG2 4.06Å; V643-K645 VanDerWaalsContact CG1-O 3.31Å; V643-K645 WeakPolarHBondContact CG1-O 3.26Å; V643-A655 HydrophobicContact CG1-CB 3.99Å; V643-A656 WeakPolarHBondContact CG1-O 3.37Å; V643-T657 HydrophobicContact CG2-CG2 4.35Å
644	S	91.3	Very high	87.1	Confident	43 Å²	43	31.8 Å²	31.8	30%	0.301	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-27.9	-176.6	57	0	0	0	0	113.2	A656 T657	S644-A656 PolarHBondContact N-O 3.23Å; S644-A656 PolarHBondContact OG-O 2.8Å; S644-T657 PolarHBondContact OG-O 2.93Å
645	K	93.9	Very high	87.4	Confident	64 Å²	64	31.1 Å²	31.1	28%	0.278	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	146.8	175.6	-65.2	-72	-170.4	155.6	0	110.4	V643 A655 A656 V700 P701 D702 L703	V643-K645 VanDerWaalsContact CG1-O 3.31Å; V643-K645 WeakPolarHBondContact CG1-O 3.26Å; K645-A655 CarbonylContact O-C 3.22Å; K645-A655 VanDerWaalsContact O-CA 3.26Å; K645-A655 WeakPolarHBondContact O-CA 3.37Å; K645-A656 HydrophobicContact CB-CB 4.23Å; K645-A656 PolarHBondContact N-O 3.07Å; K645-A656 PolarHBondContact O-N 2.87Å; K645-V700 HydrophobicContact CG-CG1 4.35Å; K645-P701 WeakPolarHBondContact CE-O 3.24Å; K645-P701 PolarHBondContact NZ-O 2.89Å; K645-D702 IonicContact NZ-OD1 3.73Å; K645-D702 PolarHBondContact NZ-OD1 2.82Å; K645-L703 HydrophobicContact CB-CD2 4.46Å
646	V	96.2	Very high	88.4	Confident	8 Å²	8	24.9 Å²	24.9	5%	0.048	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	153.1	168.5	65.2	0	0	0	0	109.1	T594 A601 I603 L609 T653 I654 A655	T594-V646 HydrophobicContact CG2-CG1 4.24Å; T594-V646 VanDerWaalsContact CG2-O 3.31Å; T594-V646 WeakPolarHBondContact CG2-O 3.43Å; A601-V646 HydrophobicContact CB-CG1 4.05Å; A601-V646 HydrophobicContact CB-CG2 3.64Å; I603-V646 HydrophobicContact CD1-CB 4.19Å; I603-V646 HydrophobicContact CD1-CG1 3.73Å; I603-V646 HydrophobicContact CG1-CG1 3.8Å; L609-V646 HydrophobicContact CD1-CB 4.2Å; L609-V646 HydrophobicContact CD1-CG1 4.27Å; L609-V646 HydrophobicContact CD1-CG2 3.9Å; V646-T653 HydrophobicContact CG2-CG2 3.67Å; V646-I654 CarbonylContact C-O 3.5Å; V646-I654 WeakPolarHBondContact CA-O 3.19Å; V646-I654 WeakPolarHBondContact CG2-O 3.49Å; V646-A655 HydrophobicContact CB-CB 4.31Å; V646-A655 HydrophobicContact CG2-CB 4.17Å
647	S	96.9	Very high	89.4	Confident	12 Å²	12	22.4 Å²	22.4	8%	0.084	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	151.7	167.2	-160.8	0	0	0	0	110.6	I654 C705	S647-I654 PolarHBondContact N-O 2.86Å; S647-I654 PolarHBondContact O-N 3.2Å; S647-C705 PolarHBondContact OG-N 2.84Å
648	C	96.5	Very high	89.9	Confident	3 Å²	3	26.9 Å²	26.9	2%	0.02	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	118.3	-171.8	-67.3	0	0	0	0	110.8	G596 A601	G596-C648 VanDerWaalsContact CA-O 3.31Å; G596-C648 WeakPolarHBondContact CA-O 3.32Å; A601-C648 WeakPolarHBondContact CB-SG 3.31Å
649	G	93.7	Very high	89.8	Confident	2 Å²	2	29.3 Å²	29.3	2%	0.021	19%	0.188	C	C	.	.			trans	-93.5	-157.5	172.6	0	0	0	0	0	112.5	H599 G651 F652	H599-G649 PolarHBondContact CE1-O 2.73Å; G649-G651 PolarHBondContact O-N 3.04Å; G649-F652 PolarHBondContact N-O 2.92Å
650	D	92.7	Very high	90	Very high	41 Å²	41	27.2 Å²	27.2	22%	0.219	16%	0.162	C	C	.	.	S	Bend	trans	-70.4	92.7	172.5	177.2	35.4	0	0	0	111.1	K597 F652 R672 G707	K597-D650 HydrophobicContact CB-CB 4.33Å; K597-D650 HydrophobicContact CD-CB 4.23Å; D650-F652 VanDerWaalsContact C-N 3.3Å; D650-F652 PolarHBondContact O-N 3Å; D650-R672 VanDerWaalsContact CG-NH1 3.29Å; D650-R672 PolarHBondContact O-NH1 3.44Å; D650-R672 IonicContact OD2-CZ 2.66Å; D650-R672 IonicContact OD2-NH1 3.17Å; D650-R672 PolarHBondContact OD2-NH1 3.26Å; D650-R672 IonicContact OD2-NH2 2.78Å; D650-R672 PolarHBondContact OD2-NH2 3.16Å; D650-G707 WeakPolarHBondContact CB-O 3.39Å; D650-G707 PolarHBondContact N-O 3.43Å
651	G	93.2	Very high	90.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	67.4	25.8	175.2	0	0	0	0	0	114.6	Q619 G649 N667	Q619-G651 VanDerWaalsContact CB-O 3.31Å; Q619-G651 WeakPolarHBondContact CB-O 3.34Å; G649-G651 PolarHBondContact O-N 3.04Å; G651-N667 VanDerWaalsContact O-CB 3.26Å; G651-N667 WeakPolarHBondContact O-CB 3.43Å; G651-N667 PolarHBondContact O-N 2.87Å
652	F	95.1	Very high	90.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	161.6	169.1	74	-86	0	0	0	111.3	H599 G649 D650 I654 W665 R672 L673 C705 G707 T710	H599-F652 PolarHBondContact CE1-O 3.1Å; H599-F652 PolarHBondContact NE2-O 3.08Å; G649-F652 PolarHBondContact N-O 2.92Å; D650-F652 VanDerWaalsContact C-N 3.3Å; D650-F652 PolarHBondContact O-N 3Å; F652-I654 HydrophobicContact CD2-CD1 3.93Å; F652-I654 HydrophobicContact CD2-CG1 4Å; F652-I654 HydrophobicContact CE2-CD1 4.07Å; F652-I654 HydrophobicContact CE2-CG1 3.81Å; F652-W665 WeakPolarHBondContact CA-O 3.48Å; F652-W665 WeakPolarHBondContact CB-O 3.35Å; F652-R672 HydrophobicContact CD1-CB 3.79Å; F652-R672 HydrophobicContact CD1-CG 3.84Å; F652-R672 HydrophobicContact CE1-CB 3.91Å; F652-R672 HydrophobicContact CE1-CG 3.7Å; F652-R672 HydrophobicContact CG-CB 4.1Å; F652-R672 HydrophobicContact CZ-CB 4.35Å; F652-R672 HydrophobicContact CZ-CG 4.42Å; F652-L673 HydrophobicContact CB-CD2 3.78Å; F652-L673 HydrophobicContact CD2-CD2 4.25Å; F652-L673 HydrophobicContact CG-CD2 4.32Å; F652-C705 HydrophobicContact CE2-CB 4.25Å; F652-C705 HydrophobicContact CZ-CB 4.2Å; F652-G707 WeakPolarHBondContact CE1-O 3.1Å; F652-T710 WeakPolarHBondContact CE2-OG1 3.44Å
653	T	96.1	Very high	90.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	135.4	-178.4	-51.5	0	0	0	0	109.9	H599 Q619 V646 A664 W665	H599-T653 PolarHBondContact NE2-OG1 3.49Å; Q619-T653 PolarHBondContact O-OG1 2.86Å; V646-T653 HydrophobicContact CG2-CG2 3.67Å; T653-A664 WeakPolarHBondContact O-CA 3.44Å; T653-W665 HydrophobicContact CG2-CH2 3.66Å; T653-W665 HydrophobicContact CG2-CZ2 3.38Å; T653-W665 HydrophobicContact CG2-CZ3 4.4Å; T653-W665 PolarHBondContact N-O 2.9Å; T653-W665 PolarHBondContact O-N 2.87Å
654	I	94.9	Very high	90.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	136.6	172.3	-50.7	-60.6	0	0	0	107.8	W341 V646 S647 F652 I662 F663 A664 L703 T710	W341-I654 HydrophobicContact CZ2-CD1 4Å; W341-I654 HydrophobicContact CZ2-CG1 4.24Å; W341-I654 HydrophobicContact CZ2-CG2 4.35Å; V646-I654 CarbonylContact C-O 3.5Å; V646-I654 WeakPolarHBondContact CA-O 3.19Å; V646-I654 WeakPolarHBondContact CG2-O 3.49Å; S647-I654 PolarHBondContact N-O 2.86Å; S647-I654 PolarHBondContact O-N 3.2Å; F652-I654 HydrophobicContact CD2-CD1 3.93Å; F652-I654 HydrophobicContact CD2-CG1 4Å; F652-I654 HydrophobicContact CE2-CD1 4.07Å; F652-I654 HydrophobicContact CE2-CG1 3.81Å; I654-I662 HydrophobicContact CG2-CG2 4.04Å; I654-F663 CarbonylContact C-O 3.59Å; I654-F663 WeakPolarHBondContact CA-O 3.37Å; I654-A664 HydrophobicContact CD1-CB 3.43Å; I654-A664 VanDerWaalsContact CD1-CB 3.43Å; I654-L703 HydrophobicContact CB-CD1 4.4Å; I654-L703 HydrophobicContact CB-CD2 4.19Å; I654-L703 HydrophobicContact CG2-CD1 4.02Å; I654-L703 HydrophobicContact CG2-CD2 3.91Å; I654-T710 HydrophobicContact CG1-CG2 4.24Å
655	A	94.1	Very high	91	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	149.7	175.7	0	0	0	0	0	111.8	V643 K645 V646 I662 F663 W665	V643-A655 HydrophobicContact CG1-CB 3.99Å; K645-A655 CarbonylContact O-C 3.22Å; K645-A655 VanDerWaalsContact O-CA 3.26Å; K645-A655 WeakPolarHBondContact O-CA 3.37Å; V646-A655 HydrophobicContact CB-CB 4.31Å; V646-A655 HydrophobicContact CG2-CB 4.17Å; A655-I662 WeakPolarHBondContact O-CA 3.38Å; A655-F663 PolarHBondContact N-O 2.82Å; A655-F663 PolarHBondContact O-N 3.33Å; A655-W665 HydrophobicContact CB-CH2 3.72Å; A655-W665 HydrophobicContact CB-CZ3 3.82Å
656	A	92	Very high	91	Very high	1 Å²	1	16 Å²	16	1%	0.008	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	143	171.9	0	0	0	0	0	110.5	V643 S644 K645 Q661 I662 V700	V643-A656 WeakPolarHBondContact CG1-O 3.37Å; S644-A656 PolarHBondContact N-O 3.23Å; S644-A656 PolarHBondContact OG-O 2.8Å; K645-A656 HydrophobicContact CB-CB 4.23Å; K645-A656 PolarHBondContact N-O 3.07Å; K645-A656 PolarHBondContact O-N 2.87Å; A656-Q661 WeakPolarHBondContact CA-O 3.41Å; A656-I662 HydrophobicContact CB-CG1 4.4Å; A656-V700 HydrophobicContact CB-CB 3.89Å; A656-V700 HydrophobicContact CB-CG1 4.24Å; A656-V700 HydrophobicContact CB-CG2 3.77Å
657	T	89.5	Confident	90.7	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.018	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	162.5	174.6	50	0	0	0	0	111.5	F638 K641 S642 V643 S644 D659 S660 Q661 F663	F638-T657 HydrophobicContact CB-CG2 4.2Å; F638-T657 HydrophobicContact CD1-CG2 4.01Å; F638-T657 HydrophobicContact CG-CG2 4.31Å; K641-T657 HydrophobicContact CB-CG2 4.3Å; S642-T657 VanDerWaalsContact O-CA 3.3Å; S642-T657 WeakPolarHBondContact O-CA 3.33Å; S642-T657 WeakPolarHBondContact O-CB 3.31Å; S642-T657 WeakPolarHBondContact O-CG2 3.34Å; V643-T657 HydrophobicContact CG2-CG2 4.35Å; S644-T657 PolarHBondContact OG-O 2.93Å; T657-D659 WeakPolarHBondContact CB-OD1 3.3Å; T657-D659 PolarHBondContact O-N 3.32Å; T657-D659 PolarHBondContact OG1-OD1 3.28Å; T657-S660 PolarHBondContact O-N 2.75Å; T657-S660 VanDerWaalsContact O-N 3.07Å; T657-Q661 PolarHBondContact N-O 3.1Å; T657-Q661 WeakPolarHBondContact OG1-CB 3.48Å; T657-Q661 PolarHBondContact OG1-N 3.38Å; T657-Q661 PolarHBondContact OG1-O 2.83Å; T657-F663 HydrophobicContact CG2-CD2 4.34Å; T657-F663 HydrophobicContact CG2-CE2 3.88Å
658	E	83.1	Confident	90.2	Very high	125 Å²	125	17.2 Å²	17.2	58%	0.584	9%	0.092	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-34.9	177.4	-70.8	171	176.4	0	0	112.7	S642 S660	S642-E658 VanDerWaalsContact CB-OE1 3.24Å; S642-E658 WeakPolarHBondContact CB-OE1 3.47Å; S642-E658 VanDerWaalsContact CB-OE2 3.25Å; S642-E658 WeakPolarHBondContact CB-OE2 3.33Å; S642-E658 PolarHBondContact O-N 2.85Å; S642-E658 PolarHBondContact OG-OE1 2.95Å; S642-E658 PolarHBondContact OG-OE2 3.11Å; E658-S660 PolarHBondContact O-N 3.21Å; E658-S660 VanDerWaalsContact O-N 3.07Å
659	D	77.1	Confident	89.7	Confident	61 Å²	61	17.6 Å²	17.6	33%	0.326	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	21.2	176.6	84	-46.1	0	0	0	114.3	K641 T657 Q661	K641-D659 WeakPolarHBondContact CD-OD1 3.35Å; K641-D659 WeakPolarHBondContact CE-OD2 3.33Å; K641-D659 IonicContact NZ-OD1 2.87Å; K641-D659 IonicContact NZ-OD2 3.89Å; K641-D659 PolarHBondContact NZ-OD2 3.23Å; T657-D659 WeakPolarHBondContact CB-OD1 3.3Å; T657-D659 PolarHBondContact O-N 3.32Å; T657-D659 PolarHBondContact OG1-OD1 3.28Å; D659-Q661 VanDerWaalsContact C-N 3.32Å; D659-Q661 PolarHBondContact O-N 2.97Å; D659-Q661 VanDerWaalsContact OD2-CD 3.29Å; D659-Q661 WeakPolarHBondContact OD2-CG 3.49Å; D659-Q661 PolarHBondContact OD2-NE2 2.9Å
660	S	75.5	Confident	89.3	Confident	23 Å²	23	21.1 Å²	21.1	16%	0.161	11%	0.114	C	C	.	.	S	Bend	trans	63.4	32	172.1	-60.3	0	0	0	0	114.4	T657 E658 H698 H699	T657-S660 PolarHBondContact O-N 2.75Å; T657-S660 VanDerWaalsContact O-N 3.07Å; E658-S660 PolarHBondContact O-N 3.21Å; E658-S660 VanDerWaalsContact O-N 3.07Å; S660-H698 VanDerWaalsContact CB-C 3.45Å; S660-H698 VanDerWaalsContact CB-O 3.24Å; S660-H698 WeakPolarHBondContact CB-O 3.35Å; S660-H699 WeakPolarHBondContact OG-CA 3.45Å; S660-H699 PolarHBondContact OG-N 2.93Å
661	Q	84.6	Confident	89	Confident	46 Å²	46	19.2 Å²	19.2	22%	0.215	11%	0.105	C	C	.	.			trans	-102.2	135.7	170.1	-59.5	-173.1	-8.2	0	0	110.6	A656 T657 D659 F663	A656-Q661 WeakPolarHBondContact CA-O 3.41Å; T657-Q661 PolarHBondContact N-O 3.1Å; T657-Q661 WeakPolarHBondContact OG1-CB 3.48Å; T657-Q661 PolarHBondContact OG1-N 3.38Å; T657-Q661 PolarHBondContact OG1-O 2.83Å; D659-Q661 VanDerWaalsContact C-N 3.32Å; D659-Q661 PolarHBondContact O-N 2.97Å; D659-Q661 VanDerWaalsContact OD2-CD 3.29Å; D659-Q661 WeakPolarHBondContact OD2-CG 3.49Å; D659-Q661 PolarHBondContact OD2-NE2 2.9Å; Q661-F663 HydrophobicContact CB-CD2 4.5Å; Q661-F663 HydrophobicContact CB-CE2 3.71Å; Q661-F663 HydrophobicContact CB-CZ 4.25Å
662	I	88.9	Confident	88.8	Confident	1 Å²	1	20.2 Å²	20.2	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	127	-178.1	-54.4	166.3	0	0	0	109.1	I654 A655 A656 P692 I693 F694 V700 I712 M714	I654-I662 HydrophobicContact CG2-CG2 4.04Å; A655-I662 WeakPolarHBondContact O-CA 3.38Å; A656-I662 HydrophobicContact CB-CG1 4.4Å; I662-P692 CarbonylContact O-C 3.56Å; I662-P692 VanDerWaalsContact O-CA 3.31Å; I662-P692 WeakPolarHBondContact O-CA 3.31Å; I662-I693 HydrophobicContact CB-CG1 4.13Å; I662-I693 HydrophobicContact CG2-CD1 3.89Å; I662-I693 HydrophobicContact CG2-CG1 3.83Å; I662-I693 PolarHBondContact O-N 3.34Å; I662-F694 HydrophobicContact CD1-CB 4.28Å; I662-V700 HydrophobicContact CD1-CG2 3.89Å; I662-V700 HydrophobicContact CG1-CG2 3.92Å; I662-I712 HydrophobicContact CD1-CD1 3.76Å; I662-I712 HydrophobicContact CG1-CD1 4.39Å; I662-I712 HydrophobicContact CG2-CD1 4.43Å; I662-M714 HydrophobicContact CD1-CE 3.77Å; I662-M714 HydrophobicContact CD1-SD 4.38Å
663	F	90.6	Very high	88.5	Confident	11 Å²	11	20.4 Å²	20.4	5%	0.048	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	142.7	-178.3	-63	-100.2	0	0	0	111.5	F638 I654 A655 T657 Q661 W665 P690 R691 P692	F638-F663 HydrophobicContact CD1-CD1 4.34Å; F638-F663 AromaticContact CD1-CD2 3.83Å; F638-F663 HydrophobicContact CD1-CD2 3.83Å; F638-F663 HydrophobicContact CD1-CE1 4.37Å; F638-F663 AromaticContact CD1-CE2 3.87Å; F638-F663 HydrophobicContact CD1-CE2 3.87Å; F638-F663 HydrophobicContact CD1-CG 4.08Å; F638-F663 HydrophobicContact CD1-CZ 4.15Å; F638-F663 HydrophobicContact CE1-CB 4.15Å; F638-F663 HydrophobicContact CE1-CD1 4.34Å; F638-F663 AromaticContact CE1-CD2 3.95Å; F638-F663 HydrophobicContact CE1-CD2 3.95Å; F638-F663 HydrophobicContact CE1-CE2 4.46Å; F638-F663 AromaticContact CE1-CG 3.9Å; F638-F663 HydrophobicContact CE1-CG 3.9Å; I654-F663 CarbonylContact C-O 3.59Å; I654-F663 WeakPolarHBondContact CA-O 3.37Å; A655-F663 PolarHBondContact N-O 2.82Å; A655-F663 PolarHBondContact O-N 3.33Å; T657-F663 HydrophobicContact CG2-CD2 4.34Å; T657-F663 HydrophobicContact CG2-CE2 3.88Å; Q661-F663 HydrophobicContact CB-CD2 4.5Å; Q661-F663 HydrophobicContact CB-CE2 3.71Å; Q661-F663 HydrophobicContact CB-CZ 4.25Å; F663-W665 HydrophobicContact CB-CE3 4.31Å; F663-W665 HydrophobicContact CB-CZ3 4.03Å; F663-P690 HydrophobicContact CB-CB 4.08Å; F663-P690 HydrophobicContact CD1-CB 3.93Å; F663-P690 HydrophobicContact CG-CB 4.32Å; F663-R691 CarbonylContact C-O 3.36Å; F663-R691 VanDerWaalsContact CA-O 3.23Å; F663-R691 WeakPolarHBondContact CA-O 3.28Å; F663-P692 HydrophobicContact CD1-CB 4.3Å; F663-P692 HydrophobicContact CE1-CB 4.17Å
664	A	92.6	Very high	88	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	143.4	174.5	0	0	0	0	0	111	T653 I654 L673 R691 I693	T653-A664 WeakPolarHBondContact O-CA 3.44Å; I654-A664 HydrophobicContact CD1-CB 3.43Å; I654-A664 VanDerWaalsContact CD1-CB 3.43Å; A664-L673 HydrophobicContact CB-CB 4.11Å; A664-L673 HydrophobicContact CB-CD2 4.07Å; A664-R691 PolarHBondContact N-O 2.87Å; A664-R691 PolarHBondContact O-N 2.88Å; A664-I693 HydrophobicContact CB-CD1 4.33Å; A664-I693 HydrophobicContact CB-CG2 3.52Å
665	W	93.6	Very high	87.3	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	166.8	172.7	65.6	96.8	0	0	0	113.1	L609 Q619 L634 F638 F652 T653 A655 F663 L673 P687 M689 P690	L609-W665 HydrophobicContact CD2-CH2 3.49Å; L609-W665 VanDerWaalsContact CD2-CH2 3.49Å; L609-W665 HydrophobicContact CD2-CZ2 3.7Å; Q619-W665 PolarHBondContact O-NE1 2.96Å; L634-W665 HydrophobicContact CD2-CZ2 4.08Å; F638-W665 HydrophobicContact CE1-CZ3 4.41Å; F638-W665 HydrophobicContact CZ-CH2 4.03Å; F638-W665 HydrophobicContact CZ-CZ3 4.27Å; F652-W665 WeakPolarHBondContact CA-O 3.48Å; F652-W665 WeakPolarHBondContact CB-O 3.35Å; T653-W665 HydrophobicContact CG2-CH2 3.66Å; T653-W665 HydrophobicContact CG2-CZ2 3.38Å; T653-W665 HydrophobicContact CG2-CZ3 4.4Å; T653-W665 PolarHBondContact N-O 2.9Å; T653-W665 PolarHBondContact O-N 2.87Å; A655-W665 HydrophobicContact CB-CH2 3.72Å; A655-W665 HydrophobicContact CB-CZ3 3.82Å; F663-W665 HydrophobicContact CB-CE3 4.31Å; F663-W665 HydrophobicContact CB-CZ3 4.03Å; W665-L673 WeakPolarHBondContact O-CD2 3.42Å; W665-P687 WeakPolarHBondContact CB-O 3.36Å; W665-M689 WeakPolarHBondContact CB-O 3.28Å; W665-P690 HydrophobicContact CD2-CB 4.18Å; W665-P690 HydrophobicContact CD2-CG 3.78Å; W665-P690 HydrophobicContact CE3-CB 3.66Å; W665-P690 HydrophobicContact CE3-CG 3.69Å; W665-P690 HydrophobicContact CG-CG 4.37Å; W665-P690 HydrophobicContact CH2-CG 4.25Å; W665-P690 HydrophobicContact CZ2-CG 4.32Å; W665-P690 HydrophobicContact CZ3-CB 3.98Å; W665-P690 HydrophobicContact CZ3-CG 3.94Å
666	G	93.3	Very high	86	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	101.8	-143.2	-174.1	0	0	0	0	0	113.4	Y617 A668 C686 P687	Y617-G666 CarbonylContact O-C 3.59Å; Y617-G666 VanDerWaalsContact O-CA 3.29Å; Y617-G666 WeakPolarHBondContact O-CA 3.48Å; G666-A668 PolarHBondContact O-N 3.48Å; G666-C686 WeakPolarHBondContact O-CA 3.42Å; G666-C686 WeakPolarHBondContact O-CB 3.37Å; G666-P687 PolarHBondContact N-O 3.27Å; G666-P687 WeakPolarHBondContact O-CD 3.28Å
667	N	90.9	Very high	84.3	Confident	23 Å²	23	27.3 Å²	27.3	12%	0.123	16%	0.156	C	C	.	.			trans	-66.7	120.2	-176	-173.3	-4.2	0	0	0	112.5	Y617 G651 G669 R672 L673	Y617-N667 HydrophobicContact CD1-CB 4.11Å; Y617-N667 HydrophobicContact CD2-CB 4.25Å; Y617-N667 HydrophobicContact CG-CB 3.8Å; G651-N667 VanDerWaalsContact O-CB 3.26Å; G651-N667 WeakPolarHBondContact O-CB 3.43Å; G651-N667 PolarHBondContact O-N 2.87Å; N667-G669 PolarHBondContact OD1-N 3.15Å; N667-R672 PolarHBondContact ND2-NH1 2.97Å; N667-R672 VanDerWaalsContact ND2-NH1 3.11Å; N667-R672 WeakPolarHBondContact O-CB 3.28Å; N667-L673 WeakPolarHBondContact O-CG 3.16Å
668	A	87.1	Confident	82.3	Confident	21 Å²	21	34.6 Å²	34.6	17%	0.174	20%	0.195	C	C	.	.			trans	-84.5	-14.4	179.5	0	0	0	0	0	114.8	G666 L673	G666-A668 PolarHBondContact O-N 3.48Å; A668-L673 HydrophobicContact CB-CD1 3.89Å
669	G	84.8	Confident	80.8	Confident	11 Å²	11	36.7 Å²	36.7	11%	0.113	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-59.8	150.9	-172.8	0	0	0	0	0	113.9	N667 G671 R672	N667-G669 PolarHBondContact OD1-N 3.15Å; G669-G671 PolarHBondContact O-N 2.81Å; G669-G671 VanDerWaalsContact O-N 3.09Å; G669-R672 WeakPolarHBondContact O-CB 3.48Å; G669-R672 VanDerWaalsContact O-CD 3.26Å; G669-R672 WeakPolarHBondContact O-CD 3.41Å; G669-R672 WeakPolarHBondContact O-CG 3.46Å; G669-R672 PolarHBondContact O-N 2.83Å
670	N	85	Confident	79.2	Confident	76 Å²	76	36.9 Å²	36.9	41%	0.406	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	53.7	27.5	179.4	-59	-37.2	0	0	0	114.6	G342 G343 G344 R672 W708	G342-N670 CarbonylContact C-O 3.58Å; G343-N670 PolarHBondContact N-O 2.85Å; G344-N670 PolarHBondContact N-O 2.81Å; N670-R672 VanDerWaalsContact C-N 3.32Å; N670-R672 PolarHBondContact O-N 3.47Å; N670-W708 HydrophobicContact CB-CE3 3.84Å; N670-W708 HydrophobicContact CB-CZ3 4.44Å
671	G	86.6	Confident	77.8	Confident	2 Å²	2	39 Å²	39	2%	0.021	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	78.2	6.7	176.9	0	0	0	0	0	115.6	G669 L673 G674	G669-G671 PolarHBondContact O-N 2.81Å; G669-G671 VanDerWaalsContact O-N 3.09Å; G671-L673 PolarHBondContact O-N 2.84Å; G671-G674 PolarHBondContact O-N 2.7Å
672	R	89.2	Confident	75.6	Confident	21 Å²	21	38.9 Å²	38.9	8%	0.079	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-31.7	-172.4	-79.8	167.5	-176.8	-159.8	-1	116	W341 D650 F652 N667 G669 N670 W708	W341-R672 PolarHBondContact NE1-O 2.85Å; D650-R672 VanDerWaalsContact CG-NH1 3.29Å; D650-R672 PolarHBondContact O-NH1 3.44Å; D650-R672 IonicContact OD2-CZ 2.66Å; D650-R672 IonicContact OD2-NH1 3.17Å; D650-R672 PolarHBondContact OD2-NH1 3.26Å; D650-R672 IonicContact OD2-NH2 2.78Å; D650-R672 PolarHBondContact OD2-NH2 3.16Å; F652-R672 HydrophobicContact CD1-CB 3.79Å; F652-R672 HydrophobicContact CD1-CG 3.84Å; F652-R672 HydrophobicContact CE1-CB 3.91Å; F652-R672 HydrophobicContact CE1-CG 3.7Å; F652-R672 HydrophobicContact CG-CB 4.1Å; F652-R672 HydrophobicContact CZ-CB 4.35Å; F652-R672 HydrophobicContact CZ-CG 4.42Å; N667-R672 PolarHBondContact ND2-NH1 2.97Å; N667-R672 VanDerWaalsContact ND2-NH1 3.11Å; N667-R672 WeakPolarHBondContact O-CB 3.28Å; G669-R672 WeakPolarHBondContact O-CB 3.48Å; G669-R672 VanDerWaalsContact O-CD 3.26Å; G669-R672 WeakPolarHBondContact O-CD 3.41Å; G669-R672 WeakPolarHBondContact O-CG 3.46Å; G669-R672 PolarHBondContact O-N 2.83Å; N670-R672 VanDerWaalsContact C-N 3.32Å; N670-R672 PolarHBondContact O-N 3.47Å; R672-W708 HydrophobicContact CG-CB 3.93Å; R672-W708 WeakPolarHBondContact CG-O 3.48Å; R672-W708 VanDerWaalsContact NE-CB 3.34Å
673	L	88.3	Confident	73.7	Confident	4 Å²	4	43 Å²	43	2%	0.021	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-4.3	-177	-56.2	178.9	0	0	0	115	F652 A664 W665 N667 A668 G671 M675 P687	F652-L673 HydrophobicContact CB-CD2 3.78Å; F652-L673 HydrophobicContact CD2-CD2 4.25Å; F652-L673 HydrophobicContact CG-CD2 4.32Å; A664-L673 HydrophobicContact CB-CB 4.11Å; A664-L673 HydrophobicContact CB-CD2 4.07Å; W665-L673 WeakPolarHBondContact O-CD2 3.42Å; N667-L673 WeakPolarHBondContact O-CG 3.16Å; A668-L673 HydrophobicContact CB-CD1 3.89Å; G671-L673 PolarHBondContact O-N 2.84Å; L673-M675 VanDerWaalsContact C-N 3.32Å; L673-M675 HydrophobicContact CB-CE 3.81Å; L673-M675 HydrophobicContact CD1-CE 3.78Å; L673-M675 HydrophobicContact CG-CE 4.46Å; L673-M675 PolarHBondContact O-N 3.15Å; L673-P687 HydrophobicContact CD1-CG 3.55Å
674	G	85.5	Confident	71.8	Confident	5 Å²	5	51 Å²	51	5%	0.052	30%	0.302	C	S	.	.			trans	65.4	30.5	179.5	0	0	0	0	0	114.4	F346 P348 G671	F346-G674 CarbonylContact O-C 3.54Å; F346-G674 VanDerWaalsContact O-CA 3.29Å; F346-G674 WeakPolarHBondContact O-CA 3.49Å; P348-G674 WeakPolarHBondContact CD-O 3.48Å; G671-G674 PolarHBondContact O-N 2.7Å
675	M	81.5	Confident	70.4	Confident	43 Å²	43	54.1 Å²	54.1	21%	0.212	32%	0.322	C	S	.	.			trans	-116.5	137.3	177.9	-67.2	-170.6	-77.1	0	0	112	F346 L673 P687 R691 I693	F346-M675 CarbonylContact O-C 3.34Å; F346-M675 PolarHBondContact O-N 3.21Å; L673-M675 VanDerWaalsContact C-N 3.32Å; L673-M675 HydrophobicContact CB-CE 3.81Å; L673-M675 HydrophobicContact CD1-CE 3.78Å; L673-M675 HydrophobicContact CG-CE 4.46Å; L673-M675 PolarHBondContact O-N 3.15Å; M675-P687 HydrophobicContact CE-CG 4.16Å; M675-R691 HydrophobicContact SD-CB 4.33Å; M675-I693 HydrophobicContact CG-CB 4.47Å; M675-I693 HydrophobicContact CG-CG2 3.67Å; M675-I693 HydrophobicContact SD-CG2 3.99Å
676	P	66.6	Low	69.6	Low	51 Å²	51	55.1 Å²	55.1	33%	0.331	33%	0.328	S	S	.	.			trans	-71.8	144.6	175.9	30.5	-34.9	0	0	0	111.9	T347 D678	T347-P676 HydrophobicContact CG2-CB 4Å; P676-D678 VanDerWaalsContact C-N 3.32Å; P676-D678 PolarHBondContact O-N 3.25Å
677	A	55.8	Low	69.1	Low	47 Å²	47	55.6 Å²	55.6	39%	0.388	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-67.9	-28	-174.3	0	0	0	0	0	114.1	K679 G680 F681	A677-K679 PolarHBondContact O-N 2.79Å; A677-G680 PolarHBondContact O-N 3.27Å; A677-F681 VanDerWaalsContact CA-O 3.24Å; A677-F681 WeakPolarHBondContact CA-O 3.33Å; A677-F681 WeakPolarHBondContact CB-O 3.38Å; A677-F681 CarbonylContact O-C 3.39Å; A677-F681 PolarHBondContact O-N 2.88Å
678	D	47.8	Very low	68.9	Low	156 Å²	156	55.1 Å²	55.1	83%	0.834	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-67.3	-9.5	-165.8	-49.9	-51.9	0	0	0	115	P676 G680	P676-D678 VanDerWaalsContact C-N 3.32Å; P676-D678 PolarHBondContact O-N 3.25Å; D678-G680 PolarHBondContact O-N 2.54Å
679	K	52.3	Low	68.9	Low	168 Å²	168	56.8 Å²	56.8	73%	0.73	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-76.3	22.8	171.9	-73.7	-176.2	177	177.6	0	113.6	A677 F681	A677-K679 PolarHBondContact O-N 2.79Å; K679-F681 VanDerWaalsContact C-N 3.33Å; K679-F681 HydrophobicContact CB-CD2 3.68Å; K679-F681 HydrophobicContact CB-CE2 4Å; K679-F681 WeakPolarHBondContact O-CD2 3.15Å; K679-F681 WeakPolarHBondContact O-CE2 3.34Å
680	G	43.2	Very low	69.2	Low	66 Å²	66	56.8 Å²	56.8	68%	0.68	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	15.5	-171.5	0	0	0	0	0	114.1	A677 D678	A677-G680 PolarHBondContact O-N 3.27Å; D678-G680 PolarHBondContact O-N 2.54Å
681	F	46.6	Very low	69.3	Low	67 Å²	67	59.2 Å²	59.2	29%	0.294	34%	0.337	S	S	.	.			trans	-101.3	72	178.2	-67.6	-94.5	0	0	0	109.8	A677 K679 V685	A677-F681 VanDerWaalsContact CA-O 3.24Å; A677-F681 WeakPolarHBondContact CA-O 3.33Å; A677-F681 WeakPolarHBondContact CB-O 3.38Å; A677-F681 CarbonylContact O-C 3.39Å; A677-F681 PolarHBondContact O-N 2.88Å; K679-F681 VanDerWaalsContact C-N 3.33Å; K679-F681 HydrophobicContact CB-CD2 3.68Å; K679-F681 HydrophobicContact CB-CE2 4Å; K679-F681 WeakPolarHBondContact O-CD2 3.15Å; K679-F681 WeakPolarHBondContact O-CE2 3.34Å; F681-V685 HydrophobicContact CD1-CB 3.88Å; F681-V685 HydrophobicContact CD1-CG1 3.61Å; F681-V685 HydrophobicContact CE1-CG1 3.78Å
682	G	38.5	Very low	69.2	Low	43 Å²	43	63 Å²	63	44%	0.443	36%	0.361	S	S	.	.			trans	-57.2	166.7	162	0	0	0	0	0	111.2	E684 V685	G682-E684 PolarHBondContact O-N 3.3Å; G682-V685 PolarHBondContact O-N 3.23Å
683	S	48.4	Very low	68.8	Low	87 Å²	87	63.3 Å²	63.3	61%	0.608	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	4.3	-169.5	-168.9	0	0	0	0	116.8
684	E	49.8	Very low	67.9	Low	179 Å²	179	66.4 Å²	66.4	84%	0.836	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	-19.1	-172.2	-55.5	-176.3	144.7	0	0	112.9	G682 C686	G682-E684 PolarHBondContact O-N 3.3Å; E684-C686 PolarHBondContact O-N 2.83Å
685	V	63.6	Low	66.4	Low	67 Å²	67	68.4 Å²	68.4	41%	0.406	40%	0.398	S	S	.	.			trans	-82.8	85.8	-173.4	-173.3	0	0	0	0	111	F681 G682 P687	F681-V685 HydrophobicContact CD1-CB 3.88Å; F681-V685 HydrophobicContact CD1-CG1 3.61Å; F681-V685 HydrophobicContact CE1-CG1 3.78Å; G682-V685 PolarHBondContact O-N 3.23Å; V685-P687 WeakPolarHBondContact O-CD 3.4Å
686	C	76.2	Confident	65.2	Low	20 Å²	20	69.6 Å²	69.6	14%	0.135	41%	0.41	C	S	.	.			trans	-78.4	111.1	173.8	-60.4	0	0	0	0	110.7	Y617 F625 G666 E684 A688	Y617-C686 WeakPolarHBondContact O-CB 3.33Å; F625-C686 HydrophobicContact CE1-CB 4.16Å; F625-C686 WeakPolarHBondContact CE1-O 3.39Å; F625-C686 VanDerWaalsContact CZ-O 3.26Å; F625-C686 WeakPolarHBondContact CZ-O 3.43Å; G666-C686 WeakPolarHBondContact O-CA 3.42Å; G666-C686 WeakPolarHBondContact O-CB 3.37Å; E684-C686 PolarHBondContact O-N 2.83Å; C686-A688 PolarHBondContact O-N 2.82Å
687	P	84.2	Confident	64.8	Low	11 Å²	11	73.6 Å²	73.6	7%	0.071	43%	0.428	C	S	.	.			trans	-70.2	116.4	177.2	27.7	-35.7	0	0	0	111.8	W665 G666 L673 M675 V685 M689 R691	W665-P687 WeakPolarHBondContact CB-O 3.36Å; G666-P687 PolarHBondContact N-O 3.27Å; G666-P687 WeakPolarHBondContact O-CD 3.28Å; L673-P687 HydrophobicContact CD1-CG 3.55Å; M675-P687 HydrophobicContact CE-CG 4.16Å; V685-P687 WeakPolarHBondContact O-CD 3.4Å; P687-M689 PolarHBondContact O-N 3.29Å; P687-R691 HydrophobicContact CB-CG 3.92Å; P687-R691 HydrophobicContact CG-CG 4.46Å
688	A	85.4	Confident	65.6	Low	12 Å²	12	73.1 Å²	73.1	10%	0.099	42%	0.418	C	S	.	.	S	Bend	trans	-80.6	15.9	173.6	0	0	0	0	0	114.7	G621 V622 K623 F625 C686	G621-A688 CarbonylContact C-O 3.36Å; G621-A688 WeakPolarHBondContact CA-O 3.34Å; V622-A688 PolarHBondContact N-O 3.21Å; K623-A688 WeakPolarHBondContact CA-O 3Å; K623-A688 PolarHBondContact N-O 3.28Å; F625-A688 HydrophobicContact CD1-CB 4.36Å; F625-A688 HydrophobicContact CE1-CB 3.91Å; F625-A688 HydrophobicContact CE2-CB 4.08Å; F625-A688 HydrophobicContact CZ-CB 3.76Å; C686-A688 PolarHBondContact O-N 2.82Å
689	M	87.9	Confident	67.2	Low	57 Å²	57	69.9 Å²	69.9	28%	0.281	40%	0.398	S	S	.	.	S	Bend	trans	-141.7	142.5	178.8	-82	-70.6	-65.6	0	0	108.7	K623 P637 W665 P687 R691	K623-M689 HydrophobicContact CB-CG 3.85Å; K623-M689 HydrophobicContact CB-SD 3.66Å; K623-M689 HydrophobicContact CG-CG 3.82Å; K623-M689 HydrophobicContact CG-SD 4.08Å; P637-M689 HydrophobicContact CB-CE 4.02Å; P637-M689 HydrophobicContact CG-CE 3.9Å; W665-M689 WeakPolarHBondContact CB-O 3.28Å; P687-M689 PolarHBondContact O-N 3.29Å; M689-R691 PolarHBondContact O-N 2.62Å
690	P	90.2	Very high	68.9	Low	10 Å²	10	62.1 Å²	62.1	7%	0.065	36%	0.364	C	S	.	.			trans	-47.2	123.8	170.5	-29.7	35.9	0	0	0	112.5	L634 P637 F638 F663 W665	L634-P690 HydrophobicContact CD2-CG 4.23Å; P637-P690 HydrophobicContact CB-CB 4.12Å; P637-P690 HydrophobicContact CB-CG 3.69Å; P637-P690 HydrophobicContact CG-CG 4.32Å; F638-P690 HydrophobicContact CE1-CB 3.91Å; F638-P690 HydrophobicContact CE1-CG 4.12Å; F638-P690 HydrophobicContact CZ-CB 4.15Å; F638-P690 HydrophobicContact CZ-CG 3.83Å; F663-P690 HydrophobicContact CB-CB 4.08Å; F663-P690 HydrophobicContact CD1-CB 3.93Å; F663-P690 HydrophobicContact CG-CB 4.32Å; W665-P690 HydrophobicContact CD2-CB 4.18Å; W665-P690 HydrophobicContact CD2-CG 3.78Å; W665-P690 HydrophobicContact CE3-CB 3.66Å; W665-P690 HydrophobicContact CE3-CG 3.69Å; W665-P690 HydrophobicContact CG-CG 4.37Å; W665-P690 HydrophobicContact CH2-CG 4.25Å; W665-P690 HydrophobicContact CZ2-CG 4.32Å; W665-P690 HydrophobicContact CZ3-CB 3.98Å; W665-P690 HydrophobicContact CZ3-CG 3.94Å
691	R	87.3	Confident	71	Confident	128 Å²	128	60 Å²	60	48%	0.483	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	130.9	173.8	-63.5	-54.2	-165.6	163	5.1	110	F663 A664 M675 P687 M689 I693	F663-R691 CarbonylContact C-O 3.36Å; F663-R691 VanDerWaalsContact CA-O 3.23Å; F663-R691 WeakPolarHBondContact CA-O 3.28Å; A664-R691 PolarHBondContact N-O 2.87Å; A664-R691 PolarHBondContact O-N 2.88Å; M675-R691 HydrophobicContact SD-CB 4.33Å; P687-R691 HydrophobicContact CB-CG 3.92Å; P687-R691 HydrophobicContact CG-CG 4.46Å; M689-R691 PolarHBondContact O-N 2.62Å; R691-I693 PolarHBondContact O-N 2.79Å
692	P	84.9	Confident	73.3	Confident	82 Å²	82	57.9 Å²	57.9	53%	0.532	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	131.4	175	28.4	-33.7	0	0	0	110.2	I662 F663	I662-P692 CarbonylContact O-C 3.56Å; I662-P692 VanDerWaalsContact O-CA 3.31Å; I662-P692 WeakPolarHBondContact O-CA 3.31Å; F663-P692 HydrophobicContact CD1-CB 4.3Å; F663-P692 HydrophobicContact CE1-CB 4.17Å
693	I	80.1	Confident	75.9	Confident	27 Å²	27	56.4 Å²	56.4	14%	0.138	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-27.2	-179.1	63.2	167.7	0	0	0	113.4	W341 I662 A664 M675 R691	W341-I693 HydrophobicContact CH2-CD1 3.9Å; W341-I693 HydrophobicContact CZ2-CD1 3.72Å; I662-I693 HydrophobicContact CB-CG1 4.13Å; I662-I693 HydrophobicContact CG2-CD1 3.89Å; I662-I693 HydrophobicContact CG2-CG1 3.83Å; I662-I693 PolarHBondContact O-N 3.34Å; A664-I693 HydrophobicContact CB-CD1 4.33Å; A664-I693 HydrophobicContact CB-CG2 3.52Å; M675-I693 HydrophobicContact CG-CB 4.47Å; M675-I693 HydrophobicContact CG-CG2 3.67Å; M675-I693 HydrophobicContact SD-CG2 3.99Å; R691-I693 PolarHBondContact O-N 2.79Å
694	F	69.2	Low	78.2	Confident	68 Å²	68	53.1 Å²	53.1	30%	0.298	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	162.4	-176.6	-84.9	-54.6	0	0	0	113.9	P348 I662 M714	P348-F694 HydrophobicContact CB-CE2 3.63Å; P348-F694 HydrophobicContact CB-CZ 3.68Å; P348-F694 HydrophobicContact CG-CE2 3.5Å; P348-F694 HydrophobicContact CG-CZ 3.7Å; I662-F694 HydrophobicContact CD1-CB 4.28Å; F694-M714 HydrophobicContact CD2-CE 3.57Å; F694-M714 HydrophobicContact CE2-CE 3.7Å; F694-M714 HydrophobicContact CG-CE 4.31Å
695	G	55.6	Low	80.4	Confident	48 Å²	48	44.9 Å²	44.9	50%	0.495	25%	0.252	S	S	.	.			trans	-74.6	149.7	-173.4	0	0	0	0	0	114.5	L697	G695-L697 PolarHBondContact O-N 2.83Å
696	S	55.1	Low	81.8	Confident	67 Å²	67	43.1 Å²	43.1	47%	0.469	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	50.5	-169.2	59.2	0	0	0	0	115.1
697	L	58.6	Low	82.4	Confident	135 Å²	135	42.4 Å²	42.4	71%	0.707	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-141.2	10.7	-175.9	-71	175.4	0	0	0	114	G695	G695-L697 PolarHBondContact O-N 2.83Å
698	H	72.2	Confident	82.7	Confident	38 Å²	38	44.6 Å²	44.6	18%	0.176	24%	0.24	C	C	.	.			trans	-128.2	105.5	-174.1	-68.1	-89.7	0	0	0	111.4	S660 M714	S660-H698 VanDerWaalsContact CB-C 3.45Å; S660-H698 VanDerWaalsContact CB-O 3.24Å; S660-H698 WeakPolarHBondContact CB-O 3.35Å; H698-M714 HydrophobicContact CB-CB 4.12Å; H698-M714 HydrophobicContact CB-CG 4.31Å; H698-M714 HydrophobicContact CB-SD 4.12Å
699	H	82.6	Confident	83	Confident	88 Å²	88	44.1 Å²	44.1	41%	0.407	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	149.1	169.8	173.6	-101.2	0	0	0	109.3	S660 P701 E715	S660-H699 WeakPolarHBondContact OG-CA 3.45Å; S660-H699 PolarHBondContact OG-N 2.93Å; H699-P701 WeakPolarHBondContact O-CD 3.4Å; H699-E715 HydrophobicContact CB-CB 4.32Å; H699-E715 PolarHBondContact N-O 3.43Å; H699-E715 PolarHBondContact O-N 3.17Å
700	V	87.8	Confident	83.3	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.024	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	90.7	-177.9	-179.8	0	0	0	0	109.6	K645 A656 I662 D702 L703 I712	K645-V700 HydrophobicContact CG-CG1 4.35Å; A656-V700 HydrophobicContact CB-CB 3.89Å; A656-V700 HydrophobicContact CB-CG1 4.24Å; A656-V700 HydrophobicContact CB-CG2 3.77Å; I662-V700 HydrophobicContact CD1-CG2 3.89Å; I662-V700 HydrophobicContact CG1-CG2 3.92Å; V700-D702 PolarHBondContact O-N 2.78Å; V700-L703 HydrophobicContact CG1-CB 4.24Å; V700-I712 HydrophobicContact CB-CD1 4.4Å; V700-I712 HydrophobicContact CG1-CD1 3.58Å; V700-I712 HydrophobicContact CG1-CG1 3.63Å; V700-I712 HydrophobicContact CG2-CD1 3.85Å; V700-I712 HydrophobicContact CG2-CG1 4.49Å
701	P	87.9	Confident	83.6	Confident	22 Å²	22	40.9 Å²	40.9	14%	0.143	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	-34.6	175.2	-23.6	34.3	0	0	0	112.5	K645 H699 I713 E715	K645-P701 WeakPolarHBondContact CE-O 3.24Å; K645-P701 PolarHBondContact NZ-O 2.89Å; H699-P701 WeakPolarHBondContact O-CD 3.4Å; P701-I713 HydrophobicContact CB-CG2 4.39Å; P701-I713 WeakPolarHBondContact CD-O 3.45Å; P701-I713 HydrophobicContact CG-CG2 4Å; P701-E715 HydrophobicContact CG-CB 3.7Å; P701-E715 VanDerWaalsContact CG-OE2 3.28Å; P701-E715 WeakPolarHBondContact CG-OE2 3.24Å
702	D	93.1	Very high	83.9	Confident	22 Å²	22	34.8 Å²	34.8	12%	0.118	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	153.6	-176.1	-159	35.5	0	0	0	114.8	H362 V363 K645 V700 I712 I713	H362-D702 IonicContact CE1-OD2 2.67Å; H362-D702 IonicContact CG-OD2 2.69Å; H362-D702 IonicContact ND1-OD2 2.7Å; H362-D702 PolarHBondContact ND1-OD2 2.84Å; H362-D702 VanDerWaalsContact ND1-OD2 3.08Å; V363-D702 HydrophobicContact CG2-CB 4.03Å; V363-D702 VanDerWaalsContact CG2-OD2 3.3Å; V363-D702 WeakPolarHBondContact CG2-OD2 3.41Å; V363-D702 PolarHBondContact N-OD2 3.43Å; K645-D702 IonicContact NZ-OD1 3.73Å; K645-D702 PolarHBondContact NZ-OD1 2.82Å; V700-D702 PolarHBondContact O-N 2.78Å; D702-I712 WeakPolarHBondContact O-CG1 3.31Å; D702-I713 HydrophobicContact CB-CD1 4.02Å; D702-I713 HydrophobicContact CB-CG1 4.39Å; D702-I713 PolarHBondContact O-N 2.89Å
703	L	94.6	Very high	84.2	Confident	13 Å²	13	30.9 Å²	30.9	7%	0.068	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	130.5	-170.3	167.7	64.5	0	0	0	110.6	K645 I654 V700 T710 I712	K645-L703 HydrophobicContact CB-CD2 4.46Å; I654-L703 HydrophobicContact CB-CD1 4.4Å; I654-L703 HydrophobicContact CB-CD2 4.19Å; I654-L703 HydrophobicContact CG2-CD1 4.02Å; I654-L703 HydrophobicContact CG2-CD2 3.91Å; V700-L703 HydrophobicContact CG1-CB 4.24Å; L703-T710 HydrophobicContact CD1-CG2 3.7Å; L703-I712 HydrophobicContact CB-CG1 4.28Å; L703-I712 HydrophobicContact CD1-CB 4.04Å; L703-I712 HydrophobicContact CD1-CD1 4.04Å; L703-I712 HydrophobicContact CD1-CG1 4.08Å
704	S	96.4	Very high	84.5	Confident	17 Å²	17	29.8 Å²	29.8	12%	0.119	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	136.9	175.3	-174.6	0	0	0	0	112	A365 T710 I711	A365-S704 PolarHBondContact N-OG 2.86Å; A365-S704 VanDerWaalsContact N-OG 3.1Å; S704-T710 WeakPolarHBondContact O-CA 3.23Å; S704-I711 PolarHBondContact N-O 2.89Å; S704-I711 PolarHBondContact O-N 3.43Å
705	C	95.5	Very high	85.2	Confident	7 Å²	7	27 Å²	27	5%	0.047	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.6	174.1	-62	0	0	0	0	109.5	S647 F652 H709 T710	S647-C705 PolarHBondContact OG-N 2.84Å; F652-C705 HydrophobicContact CE2-CB 4.25Å; F652-C705 HydrophobicContact CZ-CB 4.2Å; C705-H709 WeakPolarHBondContact CA-O 3.5Å; C705-T710 PolarHBondContact SG-OG1 2.74Å
706	R	92.7	Very high	86.2	Confident	29 Å²	29	28.7 Å²	28.7	11%	0.109	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	147.1	173.2	-161.7	69.1	177.9	-152.2	1.3	109.7	A365 G477 D478 C528 G529 W708 H709	A365-R706 HydrophobicContact CB-CB 3.95Å; A365-R706 WeakPolarHBondContact O-CB 3.2Å; G477-R706 VanDerWaalsContact C-NH2 3.32Å; D478-R706 VanDerWaalsContact N-NH2 3.16Å; D478-R706 IonicContact OD1-CZ 2.74Å; D478-R706 IonicContact OD1-NE 3.8Å; D478-R706 PolarHBondContact OD1-NE 2.82Å; D478-R706 IonicContact OD1-NH2 3.7Å; D478-R706 PolarHBondContact OD1-NH2 3.4Å; C528-R706 PolarHBondContact O-NH1 3.28Å; G529-R706 PolarHBondContact O-NH2 2.97Å; R706-W708 PolarHBondContact O-N 3.31Å; R706-W708 VanDerWaalsContact O-N 3.15Å; R706-H709 PolarHBondContact N-O 3.25Å; R706-H709 WeakPolarHBondContact O-CA 3.35Å; R706-H709 PolarHBondContact O-N 3.4Å
707	G	90.1	Very high	86.9	Confident	5 Å²	5	29.4 Å²	29.4	5%	0.052	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	-122.1	-172	0	0	0	0	0	111.9	E367 D650 F652	E367-G707 WeakPolarHBondContact OE2-CA 3.33Å; E367-G707 PolarHBondContact OE2-N 2.88Å; D650-G707 WeakPolarHBondContact CB-O 3.39Å; D650-G707 PolarHBondContact N-O 3.43Å; F652-G707 WeakPolarHBondContact CE1-O 3.1Å
708	W	89.8	Confident	87.6	Confident	58 Å²	58	27.9 Å²	27.9	22%	0.22	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-3.3	171.4	50.4	14.5	0	0	0	115.7	G342 Q386 N670 R672 R706	G342-W708 VanDerWaalsContact CA-O 3.23Å; G342-W708 WeakPolarHBondContact CA-O 3.15Å; Q386-W708 HydrophobicContact CB-CZ2 4.38Å; Q386-W708 WeakPolarHBondContact O-CZ2 3.35Å; N670-W708 HydrophobicContact CB-CE3 3.84Å; N670-W708 HydrophobicContact CB-CZ3 4.44Å; R672-W708 HydrophobicContact CG-CB 3.93Å; R672-W708 WeakPolarHBondContact CG-O 3.48Å; R672-W708 VanDerWaalsContact NE-CB 3.34Å; R706-W708 PolarHBondContact O-N 3.31Å; R706-W708 VanDerWaalsContact O-N 3.15Å
709	H	92.1	Very high	87.5	Confident	1 Å²	1	31 Å²	31	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	152.2	-170.8	-68.9	-55.3	0	0	0	113.3	W341 A365 E367 F370 D384 C705 R706	W341-H709 WeakPolarHBondContact O-CA 3.45Å; A365-H709 HydrophobicContact CB-CB 4.47Å; E367-H709 PolarHBondContact O-CD2 2.99Å; F370-H709 HydrophobicContact CE1-CB 3.83Å; F370-H709 HydrophobicContact CZ-CB 3.73Å; F370-H709 AromaticContact CZ-CG 3.57Å; F370-H709 AromaticContact CZ-ND1 3.63Å; D384-H709 IonicContact OD2-CE1 2.89Å; D384-H709 PolarHBondContact OD2-CE1 2.7Å; D384-H709 VanDerWaalsContact OD2-CE1 3.31Å; D384-H709 IonicContact OD2-ND1 2.61Å; C705-H709 WeakPolarHBondContact CA-O 3.5Å; R706-H709 PolarHBondContact N-O 3.25Å; R706-H709 WeakPolarHBondContact O-CA 3.35Å; R706-H709 PolarHBondContact O-N 3.4Å
710	T	94.1	Very high	87.3	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	140.3	162.8	-58.4	0	0	0	0	109.9	Y340 W341 F652 I654 L703 S704 C705	Y340-T710 CarbonylContact C-O 3.03Å; Y340-T710 VanDerWaalsContact CA-O 3.23Å; Y340-T710 WeakPolarHBondContact CA-O 3.46Å; Y340-T710 WeakPolarHBondContact CB-O 3.41Å; W341-T710 HydrophobicContact CD2-CG2 4.11Å; W341-T710 VanDerWaalsContact CE2-CB 3.45Å; W341-T710 HydrophobicContact CE3-CG2 4.09Å; W341-T710 HydrophobicContact CH2-CG2 3.49Å; W341-T710 VanDerWaalsContact CH2-CG2 3.49Å; W341-T710 HydrophobicContact CZ2-CG2 3.41Å; W341-T710 VanDerWaalsContact CZ2-CG2 3.41Å; W341-T710 HydrophobicContact CZ3-CG2 3.82Å; W341-T710 PolarHBondContact N-O 2.64Å; W341-T710 PolarHBondContact O-N 2.86Å; F652-T710 WeakPolarHBondContact CE2-OG1 3.44Å; I654-T710 HydrophobicContact CG1-CG2 4.24Å; L703-T710 HydrophobicContact CD1-CG2 3.7Å; S704-T710 WeakPolarHBondContact O-CA 3.23Å; C705-T710 PolarHBondContact SG-OG1 2.74Å
711	I	95.2	Very high	86.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137	170.2	-174.6	170.5	0	0	0	109.1	V338 Y339 V363 A365 F370 V372 W382 S704	V338-I711 HydrophobicContact CG1-CD1 3.81Å; V338-I711 HydrophobicContact CG1-CG1 3.73Å; Y339-I711 WeakPolarHBondContact O-CA 3.3Å; V363-I711 HydrophobicContact CB-CD1 4.16Å; V363-I711 HydrophobicContact CB-CG1 4.08Å; V363-I711 HydrophobicContact CB-CG2 4Å; V363-I711 HydrophobicContact CG1-CD1 3.83Å; V363-I711 HydrophobicContact CG1-CG1 3.85Å; V363-I711 HydrophobicContact CG2-CG2 4.36Å; A365-I711 HydrophobicContact CB-CG2 4.03Å; F370-I711 HydrophobicContact CB-CD1 4.26Å; F370-I711 HydrophobicContact CD1-CB 3.87Å; F370-I711 HydrophobicContact CD1-CD1 3.9Å; F370-I711 HydrophobicContact CD1-CG1 4.44Å; F370-I711 HydrophobicContact CD1-CG2 4.02Å; F370-I711 HydrophobicContact CE1-CB 3.97Å; F370-I711 HydrophobicContact CE1-CG2 4.34Å; F370-I711 HydrophobicContact CG-CD1 4.37Å; V372-I711 HydrophobicContact CG2-CD1 4.14Å; W382-I711 HydrophobicContact CH2-CD1 3.67Å; W382-I711 HydrophobicContact CZ2-CD1 3.94Å; S704-I711 PolarHBondContact N-O 2.89Å; S704-I711 PolarHBondContact O-N 3.43Å
712	I	93.5	Very high	86.6	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	143.5	-175.4	-167.2	168	0	0	0	110.3	V338 Y339 W341 I662 V700 D702 L703 M714	V338-I712 WeakPolarHBondContact CA-O 2.95Å; Y339-I712 PolarHBondContact N-O 2.93Å; Y339-I712 PolarHBondContact O-N 3.4Å; W341-I712 HydrophobicContact CH2-CG2 4.3Å; W341-I712 HydrophobicContact CZ3-CB 4.39Å; W341-I712 HydrophobicContact CZ3-CG2 3.7Å; I662-I712 HydrophobicContact CD1-CD1 3.76Å; I662-I712 HydrophobicContact CG1-CD1 4.39Å; I662-I712 HydrophobicContact CG2-CD1 4.43Å; V700-I712 HydrophobicContact CB-CD1 4.4Å; V700-I712 HydrophobicContact CG1-CD1 3.58Å; V700-I712 HydrophobicContact CG1-CG1 3.63Å; V700-I712 HydrophobicContact CG2-CD1 3.85Å; V700-I712 HydrophobicContact CG2-CG1 4.49Å; D702-I712 WeakPolarHBondContact O-CG1 3.31Å; L703-I712 HydrophobicContact CB-CG1 4.28Å; L703-I712 HydrophobicContact CD1-CB 4.04Å; L703-I712 HydrophobicContact CD1-CD1 4.04Å; L703-I712 HydrophobicContact CD1-CG1 4.08Å; I712-M714 HydrophobicContact CG2-CE 3.78Å; I712-M714 HydrophobicContact CG2-CG 4.32Å
713	I	91.9	Very high	86	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	127.8	164.4	-56.3	178.1	0	0	0	107.7	R336 P360 Q361 V363 P701 D702	R336-I713 HydrophobicContact CB-CG2 4.25Å; R336-I713 HydrophobicContact CG-CG2 4.43Å; P360-I713 HydrophobicContact CB-CD1 3.93Å; P360-I713 HydrophobicContact CB-CG1 4.2Å; P360-I713 HydrophobicContact CG-CG2 4.11Å; Q361-I713 VanDerWaalsContact C-CD1 3.44Å; V363-I713 HydrophobicContact CB-CG1 4.47Å; V363-I713 HydrophobicContact CG1-CD1 4.02Å; V363-I713 HydrophobicContact CG1-CG1 3.6Å; V363-I713 HydrophobicContact CG2-CD1 4.49Å; V363-I713 HydrophobicContact CG2-CG1 4.1Å; P701-I713 HydrophobicContact CB-CG2 4.39Å; P701-I713 WeakPolarHBondContact CD-O 3.45Å; P701-I713 HydrophobicContact CG-CG2 4Å; D702-I713 HydrophobicContact CB-CD1 4.02Å; D702-I713 HydrophobicContact CB-CG1 4.39Å; D702-I713 PolarHBondContact O-N 2.89Å
714	M	86.8	Confident	84.8	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.015	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.6	168.4	-64.4	-168.5	-164.5	0	0	109.8	R336 E337 Y339 I662 F694 H698 I712	R336-M714 CarbonylContact C-O 3.51Å; R336-M714 WeakPolarHBondContact CA-O 3.33Å; E337-M714 PolarHBondContact N-O 2.94Å; E337-M714 PolarHBondContact O-N 3.36Å; Y339-M714 HydrophobicContact CD1-CE 4.44Å; Y339-M714 HydrophobicContact CD2-CB 4.27Å; Y339-M714 HydrophobicContact CD2-CE 3.99Å; Y339-M714 HydrophobicContact CD2-CG 3.98Å; Y339-M714 HydrophobicContact CD2-SD 3.74Å; Y339-M714 HydrophobicContact CE2-CB 4.4Å; Y339-M714 HydrophobicContact CE2-CG 4.41Å; Y339-M714 HydrophobicContact CE2-SD 3.87Å; Y339-M714 HydrophobicContact CG-CE 3.92Å; Y339-M714 HydrophobicContact CG-SD 4.26Å; I662-M714 HydrophobicContact CD1-CE 3.77Å; I662-M714 HydrophobicContact CD1-SD 4.38Å; F694-M714 HydrophobicContact CD2-CE 3.57Å; F694-M714 HydrophobicContact CE2-CE 3.7Å; F694-M714 HydrophobicContact CG-CE 4.31Å; H698-M714 HydrophobicContact CB-CB 4.12Å; H698-M714 HydrophobicContact CB-CG 4.31Å; H698-M714 HydrophobicContact CB-SD 4.12Å; I712-M714 HydrophobicContact CG2-CE 3.78Å; I712-M714 HydrophobicContact CG2-CG 4.32Å
715	E	83.1	Confident	83.1	Confident	10 Å²	10	42.3 Å²	42.3	5%	0.047	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	116.2	176.2	-173.9	170.7	148.5	0	0	109.4	R59 R334 S335 R336 H699 P701	R59-E715 IonicContact NH2-OE1 3.91Å; R334-E715 HydrophobicContact CB-CG 4.2Å; R334-E715 WeakPolarHBondContact CD-OE1 3.32Å; R334-E715 IonicContact CZ-OE1 2.64Å; R334-E715 IonicContact NE-OE1 3.06Å; R334-E715 IonicContact NH1-OE1 2.67Å; R334-E715 PolarHBondContact NH1-OE1 2.7Å; S335-E715 WeakPolarHBondContact O-CA 3.49Å; R336-E715 HydrophobicContact CG-CB 4.09Å; R336-E715 HydrophobicContact CG-CG 3.93Å; R336-E715 IonicContact CZ-OE2 3.6Å; R336-E715 IonicContact NE-OE2 2.91Å; R336-E715 PolarHBondContact NE-OE2 3.2Å; R336-E715 IonicContact NH2-OE2 2.68Å; R336-E715 PolarHBondContact NH2-OE2 3.45Å; H699-E715 HydrophobicContact CB-CB 4.32Å; H699-E715 PolarHBondContact N-O 3.43Å; H699-E715 PolarHBondContact O-N 3.17Å; P701-E715 HydrophobicContact CG-CB 3.7Å; P701-E715 VanDerWaalsContact CG-OE2 3.28Å; P701-E715 WeakPolarHBondContact CG-OE2 3.24Å
716	K	76.4	Confident	80.9	Confident	84 Å²	84	47.8 Å²	47.8	37%	0.365	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.7	179	-177.7	-179.9	177.6	-177.9	0	109.9	R334 S335 L718	R334-K716 CarbonylContact C-O 3.57Å; R334-K716 WeakPolarHBondContact CA-O 3.06Å; S335-K716 PolarHBondContact N-O 3.27Å; S335-K716 PolarHBondContact O-N 2.96Å; K716-L718 HydrophobicContact CD-CD2 4.04Å; K716-L718 HydrophobicContact CG-CD2 4.2Å
717	V	71.3	Confident	78.7	Confident	81 Å²	81	49.9 Å²	49.9	49%	0.491	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	130.3	168.1	178.7	0	0	0	0	109.1	T332 R334	T332-V717 HydrophobicContact CG2-CG1 3.66Å; T332-V717 HydrophobicContact CG2-CG2 4.25Å; R334-V717 HydrophobicContact CG-CG2 4.14Å
718	L	71.9	Confident	76.1	Confident	104 Å²	104	55 Å²	55	55%	0.545	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-44.3	-179	-60.9	179.1	0	0	0	111.9	T333 K716	T333-L718 PolarHBondContact O-N 3.09Å; K716-L718 HydrophobicContact CD-CD2 4.04Å; K716-L718 HydrophobicContact CG-CD2 4.2Å
719	N	71	Confident	73.6	Confident	104 Å²	104	55.2 Å²	55.2	56%	0.556	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.9	158.8	175.2	-168.4	12.3	0	0	0	109.6	T332 T333	T332-N719 CarbonylContact C-O 3.59Å; T332-N719 WeakPolarHBondContact CA-O 3.45Å; T333-N719 PolarHBondContact N-O 3.42Å; T333-N719 PolarHBondContact O-N 2.96Å; T333-N719 WeakPolarHBondContact OG1-CB 3.47Å; T333-N719 PolarHBondContact OG1-N 3.46Å; T333-N719 PolarHBondContact OG1-O 2.96Å
720	S	77.3	Confident	71	Confident	62 Å²	62	60.8 Å²	60.8	43%	0.434	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	125.5	169	-163.4	0	0	0	0	109.9	V331 T332	V331-S720 WeakPolarHBondContact O-CA 3.28Å; T332-S720 PolarHBondContact OG1-OG 2.94Å
721	K	80.9	Confident	67.9	Low	86 Å²	86	66.3 Å²	66.3	37%	0.374	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	130.9	-175.6	-179.5	-173.4	-179.8	-173.3	0	109	D109 V330 V331 I723	D109-K721 WeakPolarHBondContact OD1-CE 3.4Å; D109-K721 IonicContact OD1-NZ 3.55Å; D109-K721 PolarHBondContact OD1-NZ 3.38Å; D109-K721 IonicContact OD2-NZ 3.42Å; D109-K721 PolarHBondContact OD2-NZ 2.94Å; V330-K721 CarbonylContact C-O 3.31Å; V330-K721 WeakPolarHBondContact CA-O 3.44Å; V331-K721 PolarHBondContact N-O 2.89Å; V331-K721 PolarHBondContact O-N 3.13Å; K721-I723 HydrophobicContact CD-CD1 4.33Å; K721-I723 HydrophobicContact CD-CG1 4.28Å; K721-I723 HydrophobicContact CG-CG1 4.23Å
722	T	81.8	Confident	65	Low	89 Å²	89	74.1 Å²	74.1	55%	0.546	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	130	176.5	-53.2	0	0	0	0	109.4	V328 V330	V328-T722 HydrophobicContact CG1-CG2 3.35Å; V330-T722 HydrophobicContact CG2-CG2 4.37Å
723	I	80.6	Confident	61.8	Low	7 Å²	7	77.5 Å²	77.5	4%	0.036	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.2	-177.8	-51.4	177.3	0	0	0	107.8	W69 F107 D109 L114 V328 A329 V331 K721	W69-I723 HydrophobicContact CH2-CD1 4.45Å; W69-I723 HydrophobicContact CZ3-CD1 4.16Å; F107-I723 HydrophobicContact CB-CG2 3.98Å; D109-I723 HydrophobicContact CB-CD1 4.39Å; D109-I723 HydrophobicContact CB-CG2 3.94Å; L114-I723 HydrophobicContact CD1-CD1 3.68Å; L114-I723 HydrophobicContact CD1-CG2 4.25Å; V328-I723 WeakPolarHBondContact CG1-O 3.46Å; A329-I723 HydrophobicContact CB-CB 4.41Å; A329-I723 PolarHBondContact N-O 2.9Å; A329-I723 PolarHBondContact O-N 2.99Å; V331-I723 HydrophobicContact CG2-CD1 3.8Å; K721-I723 HydrophobicContact CD-CD1 4.33Å; K721-I723 HydrophobicContact CD-CG1 4.28Å; K721-I723 HydrophobicContact CG-CG1 4.23Å
724	R	69.3	Low	58.9	Low	146 Å²	146	85.6 Å²	85.6	55%	0.551	50%	0.501	S	S	*	.			trans	-104.3	139.4	-177.1	-72.2	179.7	163.9	159.2	-6	111	E36 V328 N726	E36-R724 IonicContact OE1-NH2 3.39Å; E36-R724 IonicContact OE2-NH2 3.25Å; V328-R724 HydrophobicContact CG1-CG 4.25Å; V328-R724 HydrophobicContact CG2-CG 4.29Å; R724-N726 PolarHBondContact O-N 2.68Å
725	S	59.9	Low	56	Low	12 Å²	12	90.4 Å²	90.4	8%	0.084	54%	0.541	C	S	.	.			trans	-85.3	89.4	172.9	-68.2	0	0	0	0	111.1	H106 F107 S727	H106-S725 PolarHBondContact O-OG 2.79Å; F107-S725 WeakPolarHBondContact CD1-OG 3.36Å; S725-S727 PolarHBondContact O-N 2.91Å
726	N	48.7	Very low	53.2	Low	122 Å²	122	99.2 Å²	99.2	65%	0.652	58%	0.582	S	S	*	*			trans	-70.1	71.5	169.4	-75.9	12	0	0	0	111	R724 S728	R724-N726 PolarHBondContact O-N 2.68Å; N726-S728 VanDerWaalsContact C-N 3.32Å
727	S	46.2	Very low	50.9	Low	74 Å²	74	104.6 Å²	104.6	52%	0.517	61%	0.609	S	S	.	*			trans	-75.5	-21.2	175.3	59.5	0	0	0	0	113	T326 S725 G729	T326-S727 WeakPolarHBondContact CG2-OG 3.45Å; S725-S727 PolarHBondContact O-N 2.91Å; S727-G729 PolarHBondContact O-N 2.67Å
728	S	35.8	Very low	48.7	Very low	113 Å²	113	105.2 Å²	105.2	79%	0.79	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	75.4	179.2	44.6	0	0	0	0	112.6	N726	N726-S728 VanDerWaalsContact C-N 3.32Å
729	G	37	Very low	46.4	Very low	62 Å²	62	105 Å²	105	64%	0.639	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-172.4	-11.3	175.8	0	0	0	0	0	119.9	S727 S731	S727-G729 PolarHBondContact O-N 2.67Å; G729-S731 PolarHBondContact O-N 3.27Å
730	I	38.2	Very low	44.2	Very low	118 Å²	118	106.8 Å²	106.8	61%	0.605	65%	0.645	S	S	*	*			trans	-99.3	66.9	-175.7	-48	-177.8	0	0	0	110.8	M86	M86-I730 HydrophobicContact CE-CD1 3.74Å; M86-I730 HydrophobicContact SD-CD1 4.47Å
731	S	29.7	Very low	41.6	Very low	115 Å²	115	109.4 Å²	109.4	80%	0.804	66%	0.663	S	S	*	*			trans	-84.7	116.8	173.3	-60.5	0	0	0	0	110.7	G729 G733	G729-S731 PolarHBondContact O-N 3.27Å; S731-G733 PolarHBondContact O-N 3.19Å; S731-G733 VanDerWaalsContact O-N 3.11Å
732	I	33.3	Very low	38.9	Very low	165 Å²	165	113.8 Å²	113.8	85%	0.846	69%	0.687	S	S	*	*			trans	-77.6	97	176.1	-60.5	172.4	0	0	0	108.9
733	G	26.7	Very low	36.2	Very low	71 Å²	71	118.2 Å²	118.2	73%	0.732	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-78.1	119.5	171.5	0	0	0	0	0	111.4	S731	S731-G733 PolarHBondContact O-N 3.19Å; S731-G733 VanDerWaalsContact O-N 3.11Å
734	L	30.4	Very low	33.6	Very low	170 Å²	170	124.9 Å²	124.9	89%	0.89	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-70.3	144.9	164.5	-82.6	162.2	0	0	0	109.9
735	A	25.9	Very low	31.6	Very low	104 Å²	104	125.2 Å²	125.2	86%	0.86	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-70.7	140	-177.4	0	0	0	0	0	112.4
736	Q	25.3	Very low	29.9	Very low	194 Å²	194	131 Å²	131	91%	0.907	78%	0.779	S	S	*	*			trans	-149.2	131.8	163.4	-146.9	166.2	13.7	0	0	109.9
737	E	28.5	Very low	28.9	Very low	197 Å²	197	130.8 Å²	130.8	92%	0.921	78%	0.782	S	S	*	*			trans	-92.3	135.4	-175.9	-56	174.1	126.9	0	0	111.3
738	A	24.8	Very low	28.1	Very low	94 Å²	94	135.4 Å²	135.4	78%	0.777	80%	0.795	S	S	*	*			trans	-170.2	105.6	152.7	0	0	0	0	0	113.7
739	S	23.9	Very low	28.3	Very low	100 Å²	100	135.3 Å²	135.3	70%	0.699	79%	0.791	S	S	*	*			trans	8.7	140.1	145.1	56.5	0	0	0	0	123.5
740	T	23.9	Very low	27.7	Very low	142 Å²	142	135 Å²	135	87%	0.871	79%	0.789	S	S	*	*			trans	68.9	151.3	146.6	53	0	0	0	0	118.8
741	S	23.1	Very low	27.2	Very low	116 Å²	116	137 Å²	137	81%	0.811	80%	0.8	S	S	*	*			cis	-141.9	-173.8	12.1	55.7	0	0	0	0	113.9
742	M	24.9	Very low	27	Very low	179 Å²	179	139.4 Å²	139.4	88%	0.882	80%	0.798	S	S	*	*			trans	-85.8	-172.6	179.3	-75.7	173.4	154.9	0	0	114.2
743	E	24.7	Very low	26.7	Very low	181 Å²	181	136.1 Å²	136.1	85%	0.846	79%	0.786	S	S	*	*			trans	88.1	108.4	174.2	-57.1	176.1	-171.5	0	0	113.4
744	D	25	Very low	26.6	Very low	148 Å²	148	140.2 Å²	140.2	79%	0.791	79%	0.786	S	S	*	*			cis	97.5	153.3	44.3	-83.2	-36.9	0	0	0	113.3
745	L	26.9	Very low	26.4	Very low	153 Å²	153	136.7 Å²	136.7	80%	0.801	78%	0.775	S	S	*	*			trans	74.8	138.6	173.6	-44.6	-177.4	0	0	0	115.7
746	D	25.9	Very low	26.4	Very low	134 Å²	134	141.5 Å²	141.5	72%	0.717	77%	0.771	S	S	*	*			cis	-162.6	166.4	-9.4	-128.2	-20.3	0	0	0	114.4
747	V	26.8	Very low	26.5	Very low	117 Å²	117	139.1 Å²	139.1	71%	0.709	76%	0.764	S	S	*	*			trans	59.3	94.4	147.4	171.1	0	0	0	0	119.6
748	E	29.5	Very low	26.5	Very low	171 Å²	171	132.3 Å²	132.3	80%	0.799	75%	0.747	S	S	*	*				-72	159.1	130	-129.2	-151.4	-108.5	0	0	108.8	G750	E748-G750 PolarHBondContact OE2-N 2.86Å
749	P	39.2	Very low	26.6	Very low	110 Å²	110	133.5 Å²	133.5	71%	0.714	75%	0.749	S	S	*	*				-156.1	167.2	63.5	41.6	-20.7	0	0	0	119.9
750	G	25.1	Very low	26.9	Very low	56 Å²	56	136.7 Å²	136.7	58%	0.577	76%	0.758	S	S	*	*			trans	98.2	160.2	135.3	0	0	0	0	0	119.2	E748	E748-G750 PolarHBondContact OE2-N 2.86Å
751	L	27.2	Very low	27	Very low	160 Å²	160	133.3 Å²	133.3	84%	0.838	75%	0.751	S	S	*	*			cis	-164.7	173.6	-5.2	-124.1	173.4	0	0	0	110.5
752	E	25.2	Very low	27.2	Very low	166 Å²	166	131.4 Å²	131.4	78%	0.776	75%	0.75	S	S	*	*			trans	78.7	143.7	160.4	-58.9	-133.6	-160.9	0	0	121.4
753	T	26.8	Very low	27.3	Very low	95 Å²	95	130 Å²	130	58%	0.583	75%	0.751	S	S	*	*			cis	-164.7	123	-23.3	-74.8	0	0	0	0	110
754	E	25.8	Very low	27.4	Very low	157 Å²	157	131.7 Å²	131.7	73%	0.734	75%	0.75	S	S	*	*			trans	46.4	172	151.4	-59.3	-165.2	152.4	0	0	121.2
755	C	25.2	Very low	27.7	Very low	97 Å²	97	133 Å²	133	66%	0.655	75%	0.752	S	S	*	*			cis	-144.6	138.1	17	-64	0	0	0	0	115.1
756	R	27.6	Very low	27.8	Very low	205 Å²	205	131.2 Å²	131.2	77%	0.774	75%	0.746	S	S	*	*			trans	61.2	148.4	132.9	-64.7	179.2	-168.8	-147	0.7	120.7
757	D	27.1	Very low	27.8	Very low	143 Å²	143	131.4 Å²	131.4	77%	0.765	75%	0.748	S	S	*	*			cis	-159	170	-4.3	-111.5	-41.1	0	0	0	107.5
758	G	28.8	Very low	27.8	Very low	55 Å²	55	131 Å²	131	57%	0.567	75%	0.745	S	S	*	*			cis	158.4	164.8	0	0	0	0	0	0	111.3
759	S	26.5	Very low	27.8	Very low	118 Å²	118	131.1 Å²	131.1	83%	0.825	75%	0.746	S	S	*	*			trans	70.3	150.5	175.3	-66.4	0	0	0	0	118.3
760	L	29.3	Very low	27.2	Very low	167 Å²	167	132.5 Å²	132.5	87%	0.874	75%	0.747	S	S	*	*			cis	-161	145.7	-1.3	-122.8	164.1	0	0	0	112.9
761	G	27	Very low	27.3	Very low	72 Å²	72	136 Å²	136	74%	0.742	75%	0.752	S	S	*	*			trans	78.9	148.6	161.1	0	0	0	0	0	117.6
762	G	25.6	Very low	27.3	Very low	75 Å²	75	135.1 Å²	135.1	77%	0.773	75%	0.747	S	S	*	*			cis	106.6	131.1	5.5	0	0	0	0	0	112.3
763	T	28.4	Very low	27.2	Very low	150 Å²	150	135.5 Å²	135.5	92%	0.92	75%	0.749	S	S	*	*			cis	-148.2	-167	15.2	44.2	0	0	0	0	113.2
764	R	27.3	Very low	27.2	Very low	217 Å²	217	135 Å²	135	82%	0.819	76%	0.755	S	S	*	*			trans	-112.3	-177.8	-171	-73	170.3	58.8	162.6	-1.9	114
765	E	29.3	Very low	27.9	Very low	176 Å²	176	132.7 Å²	132.7	82%	0.822	75%	0.753	S	S	*	*			trans	108.1	136.5	156	-63.9	169.1	-164.2	0	0	116.1
766	V	29	Very low	27.9	Very low	114 Å²	114	136 Å²	136	69%	0.691	76%	0.761	S	S	*	*			cis	124.4	132.8	-1	167.3	0	0	0	0	112.7
767	N	26.2	Very low	27.8	Very low	139 Å²	139	133.8 Å²	133.8	74%	0.743	76%	0.761	S	S	*	*			trans	137.2	127.8	166.9	-72.4	-16.1	0	0	0	109.8
768	T	27	Very low	27.7	Very low	108 Å²	108	132.3 Å²	132.3	66%	0.663	76%	0.758	S	S	*	*				61.1	148.2	70.1	62.9	0	0	0	0	115.4
769	E	29.1	Very low	27.6	Very low	174 Å²	174	139.4 Å²	139.4	81%	0.813	77%	0.774	S	S	*	*			cis	-154.3	173	9.5	-102.7	131.5	-103.1	0	0	107.7
770	D	28.3	Very low	27.5	Very low	138 Å²	138	137.6 Å²	137.6	74%	0.738	77%	0.774	S	S	*	*			cis	-176	-178.9	-32	-172.6	24.3	0	0	0	109.8
771	L	26.3	Very low	27.4	Very low	131 Å²	131	136.5 Å²	136.5	69%	0.686	77%	0.768	S	S	*	*			trans	92.2	130	152	-66.3	168.7	0	0	0	125.7
772	L	27.5	Very low	27.5	Very low	140 Å²	140	140.2 Å²	140.2	73%	0.733	77%	0.767	S	S	*	*			trans	69.2	159.7	142.4	-60.1	167.3	0	0	0	120.8
773	E	22.6	Very low	27.7	Very low	175 Å²	175	143.2 Å²	143.2	82%	0.818	77%	0.77	S	S	*	*			cis	-151	-167.2	4.7	-144.1	160	-144.5	0	0	114.1
774	A	27.2	Very low	27.7	Very low	85 Å²	85	139.6 Å²	139.6	70%	0.702	76%	0.762	S	S	*	*			trans	-152	-159.9	-173.9	0	0	0	0	0	111.4
775	P	40.3	Very low	27.7	Very low	107 Å²	107	137 Å²	137	70%	0.695	77%	0.765	S	S	*	*			cis	-144.6	-160.9	-3.1	44.1	-22.3	0	0	0	117.1
776	M	24.4	Very low	28	Very low	166 Å²	166	134.1 Å²	134.1	82%	0.818	76%	0.764	S	S	*	*			trans	81.4	119.5	153.7	-78	-172	-179.7	0	0	122
777	M	26.5	Very low	28.7	Very low	159 Å²	159	133.9 Å²	133.9	78%	0.783	77%	0.767	S	S	*	*				85.8	150.8	93.3	-71.4	-72.1	-151.1	0	0	115.3
778	T	25.1	Very low	29.1	Very low	112 Å²	112	130.3 Å²	130.3	69%	0.687	75%	0.753	S	S	*	*			cis	-155.7	151.9	16.4	31.6	0	0	0	0	114.2
779	F	25.6	Very low	29.9	Very low	205 Å²	205	128.4 Å²	128.4	90%	0.899	74%	0.742	S	S	*	*			trans	39.2	139.4	147.1	-74.5	-87.2	0	0	0	125.4
780	G	25.5	Very low	30.5	Very low	80 Å²	80	127.3 Å²	127.3	83%	0.825	74%	0.741	S	S	*	*			trans	175.2	68.3	165.2	0	0	0	0	0	121.4
781	N	26.6	Very low	31.6	Very low	143 Å²	143	128.6 Å²	128.6	77%	0.765	74%	0.736	S	S	*	*			trans	2	130.5	164	-89.9	-19.6	0	0	0	125.1
782	Q	30.4	Very low	32.3	Very low	151 Å²	151	125.1 Å²	125.1	71%	0.706	72%	0.717	S	S	*	*				86.1	129.4	124.8	-70.8	178.6	33.8	0	0	125.8
783	T	28.5	Very low	32.8	Very low	138 Å²	138	125.6 Å²	125.6	85%	0.847	71%	0.709	S	S	*	*			trans	64.6	130.8	145.2	53.9	0	0	0	0	122.6
784	G	28.5	Very low	33.9	Very low	73 Å²	73	123.4 Å²	123.4	75%	0.753	70%	0.697	S	S	*	*			trans	132.5	95.8	151.4	0	0	0	0	0	116.5
785	D	28.4	Very low	34.6	Very low	163 Å²	163	125.2 Å²	125.2	87%	0.872	69%	0.691	S	S	*	*			trans	34.1	124.7	155	-58.7	-16.6	0	0	0	123
786	S	35.5	Very low	34.6	Very low	115 Å²	115	126.3 Å²	126.3	80%	0.804	69%	0.69	S	S	*	*				23.9	126.2	127.9	-172.3	0	0	0	0	118.9
787	S	42.7	Very low	35.4	Very low	110 Å²	110	125.5 Å²	125.5	77%	0.769	69%	0.685	S	S	*	*			cis	-157.3	122.9	16.2	47.6	0	0	0	0	112.6
788	C	34.6	Very low	36.4	Very low	64 Å²	64	123.2 Å²	123.2	43%	0.432	68%	0.676	S	S	.	*			trans	-158.9	128.8	161.4	-166.3	0	0	0	0	110
789	P	45.1	Very low	36.9	Very low	68 Å²	68	121.6 Å²	121.6	44%	0.442	67%	0.673	S	S	.	*			trans	-63.5	137.9	176.2	-23.2	34.9	0	0	0	112.7	W791 L792 R793	P789-W791 HydrophobicContact CB-CG 4.39Å; P789-W791 PolarHBondContact O-N 2.9Å; P789-L792 PolarHBondContact O-N 3.03Å; P789-L792 VanDerWaalsContact O-N 3.13Å; P789-R793 PolarHBondContact O-N 2.86Å
790	L	40.9	Very low	37.2	Very low	150 Å²	150	120.6 Å²	120.6	79%	0.785	67%	0.671	S	S	*	*	H	α-helix	trans	-63.4	-23.9	-175.1	-73.6	167.6	0	0	0	114.4
791	W	51.2	Low	37.5	Very low	166 Å²	166	125.5 Å²	125.5	63%	0.629	67%	0.671	S	S	*	*	H	α-helix	trans	-68.6	-42	174.8	65.5	-96.6	0	0	0	111.9	P789 R793 K794 E795	P789-W791 HydrophobicContact CB-CG 4.39Å; P789-W791 PolarHBondContact O-N 2.9Å; W791-R793 VanDerWaalsContact C-N 3.32Å; W791-R793 PolarHBondContact O-N 2.96Å; W791-K794 PolarHBondContact O-N 2.91Å; W791-K794 VanDerWaalsContact O-N 3.09Å; W791-E795 VanDerWaalsContact CZ3-OE2 3.3Å; W791-E795 WeakPolarHBondContact CZ3-OE2 3.22Å; W791-E795 PolarHBondContact O-N 3.14Å
792	L	40.5	Very low	37.6	Very low	58 Å²	58	126 Å²	126	30%	0.304	67%	0.672	S	S	.	*	H	α-helix	trans	-68.1	-32	-177.5	-175.2	64.7	0	0	0	112.1	P789 K794 L796	P789-L792 PolarHBondContact O-N 3.03Å; P789-L792 VanDerWaalsContact O-N 3.13Å; L792-K794 VanDerWaalsContact C-N 3.3Å; L792-L796 WeakPolarHBondContact O-CD1 3.17Å; L792-L796 WeakPolarHBondContact O-CG 3.48Å; L792-L796 PolarHBondContact O-N 3.45Å
793	R	39.6	Very low	37.6	Very low	149 Å²	149	123.1 Å²	123.1	56%	0.562	67%	0.666	S	S	*	*	H	α-helix	trans	-65.4	-35.5	172.6	-122.2	-175.7	-167.5	139.2	4.7	112.2	P789 W791 L796 E797	P789-R793 PolarHBondContact O-N 2.86Å; W791-R793 VanDerWaalsContact C-N 3.32Å; W791-R793 PolarHBondContact O-N 2.96Å; R793-L796 PolarHBondContact O-N 3.08Å; R793-E797 PolarHBondContact O-N 2.97Å
794	K	44.8	Very low	37.5	Very low	130 Å²	130	124.8 Å²	124.8	57%	0.565	67%	0.666	S	S	*	*	H	α-helix	trans	-73.7	-43.1	-177.1	-161	-179	176.7	-170.8	0	112	W791 L792 L796 E797 D798	W791-K794 PolarHBondContact O-N 2.91Å; W791-K794 VanDerWaalsContact O-N 3.09Å; L792-K794 VanDerWaalsContact C-N 3.3Å; K794-L796 PolarHBondContact O-N 2.89Å; K794-E797 PolarHBondContact O-N 2.96Å; K794-D798 WeakPolarHBondContact CE-OD2 3.31Å; K794-D798 PolarHBondContact O-N 2.93Å
795	E	41.3	Very low	37.6	Very low	123 Å²	123	127.1 Å²	127.1	58%	0.575	67%	0.668	S	S	*	*	H	α-helix	trans	-61.6	-26.5	171.9	-70.8	-174.9	134.5	0	0	113.2	W791 A799	W791-E795 VanDerWaalsContact CZ3-OE2 3.3Å; W791-E795 WeakPolarHBondContact CZ3-OE2 3.22Å; W791-E795 PolarHBondContact O-N 3.14Å; E795-A799 WeakPolarHBondContact O-CB 3.29Å
796	L	40.8	Very low	37.6	Very low	129 Å²	129	127.1 Å²	127.1	68%	0.675	67%	0.668	S	S	*	*	H	α-helix	trans	-77.8	-18.8	174.1	-75.9	167.9	0	0	0	113.9	L792 R793 K794	L792-L796 WeakPolarHBondContact O-CD1 3.17Å; L792-L796 WeakPolarHBondContact O-CG 3.48Å; L792-L796 PolarHBondContact O-N 3.45Å; R793-L796 PolarHBondContact O-N 3.08Å; K794-L796 PolarHBondContact O-N 2.89Å
797	E	42.3	Very low	37.2	Very low	149 Å²	149	131.1 Å²	131.1	70%	0.696	67%	0.674	S	S	*	*	H	α-helix	trans	-96	-31.5	177.1	-72.1	170.3	-177	0	0	111.6	R793 K794 A799	R793-E797 PolarHBondContact O-N 2.97Å; K794-E797 PolarHBondContact O-N 2.96Å; E797-A799 VanDerWaalsContact C-N 3.33Å; E797-A799 PolarHBondContact O-N 3.04Å
798	D	46.1	Very low	36.5	Very low	112 Å²	112	131.5 Å²	131.5	60%	0.599	68%	0.677	S	S	*	*	S	Bend	trans	-83.7	2.4	178.5	-68.4	-28.4	0	0	0	113.8	K794 E800	K794-D798 WeakPolarHBondContact CE-OD2 3.31Å; K794-D798 PolarHBondContact O-N 2.93Å; D798-E800 PolarHBondContact O-N 2.84Å
799	A	36.3	Very low	36.2	Very low	77 Å²	77	137.5 Å²	137.5	64%	0.636	70%	0.698	S	S	*	*			trans	-86.8	85.5	-175	0	0	0	0	0	113.8	E795 E797	E795-A799 WeakPolarHBondContact O-CB 3.29Å; E797-A799 VanDerWaalsContact C-N 3.33Å; E797-A799 PolarHBondContact O-N 3.04Å
800	E	31.1	Very low	35.3	Very low	184 Å²	184	144 Å²	144	86%	0.86	72%	0.723	S	S	*	*			trans	-64.6	144.8	178.1	-70.1	-162.5	139.8	0	0	114.6	D798 I802	D798-E800 PolarHBondContact O-N 2.84Å; E800-I802 PolarHBondContact O-N 2.82Å
801	F	32	Very low	34.7	Very low	184 Å²	184	141.9 Å²	141.9	81%	0.807	72%	0.721	S	S	*	*			trans	-74.4	110.4	-177	173.9	-95.5	0	0	0	111.9	P803	F801-P803 HydrophobicContact CE1-CB 3.97Å; F801-P803 VanDerWaalsContact O-CD 3.32Å; F801-P803 WeakPolarHBondContact O-CD 3.48Å
802	I	30.1	Very low	33.5	Very low	154 Å²	154	140.2 Å²	140.2	79%	0.79	72%	0.724	S	S	*	*			trans	-90.5	110.5	171.8	-56.6	176.9	0	0	0	109.1	E800	E800-I802 PolarHBondContact O-N 2.82Å
803	P	29.3	Very low	32.8	Very low	90 Å²	90	145.8 Å²	145.8	58%	0.584	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-73.2	134.5	174.9	29.6	-33.5	0	0	0	111.1	F801	F801-P803 HydrophobicContact CE1-CB 3.97Å; F801-P803 VanDerWaalsContact O-CD 3.32Å; F801-P803 WeakPolarHBondContact O-CD 3.48Å
804	M	26.7	Very low	32	Very low	172 Å²	172	142.3 Å²	142.3	85%	0.847	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-78.6	144.4	162.5	-61.7	-166.1	-57.6	0	0	109.4
805	P	30	Very low	31.1	Very low	123 Å²	123	144.9 Å²	144.9	80%	0.799	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-74.3	133.2	-179.6	29.6	-34	0	0	0	111.9
806	D	28.7	Very low	30.2	Very low	163 Å²	163	146.3 Å²	146.3	87%	0.872	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-71.5	130.5	167.3	-77.8	-50	0	0	0	110.7
807	E	27.2	Very low	29.4	Very low	199 Å²	199	144.6 Å²	144.6	93%	0.93	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-80.6	121	169.5	-69.8	-169.3	147.9	0	0	110.9
808	S	27.8	Very low	28.6	Very low	117 Å²	117	141.9 Å²	141.9	82%	0.818	79%	0.786	S	S	*	*			trans	-146.6	135.4	157.8	55.5	0	0	0	0	110.8
809	E	28.3	Very low	27.6	Very low	191 Å²	191	146.2 Å²	146.2	89%	0.893	80%	0.8	S	S	*	*			trans	-80.5	147.5	-167.5	-56.3	177.1	123	0	0	113.3
810	Q	27.2	Very low	27.1	Very low	205 Å²	205	147.4 Å²	147.4	96%	0.958	80%	0.804	S	S	*	*			trans	-131.5	147.3	142.3	-72.3	-162.3	-5.5	0	0	110
811	S	27.1	Very low	26.9	Very low	105 Å²	105	148 Å²	148	73%	0.734	80%	0.803	S	S	*	*			trans	-117.2	157.7	-155.8	58.2	0	0	0	0	113.6
812	D	25.5	Very low	26.8	Very low	130 Å²	130	144.2 Å²	144.2	70%	0.695	80%	0.8	S	S	*	*				-157.7	134.1	120.8	-119.4	-22.7	0	0	0	115.6
813	Q	25.9	Very low	26.7	Very low	175 Å²	175	142.6 Å²	142.6	82%	0.818	80%	0.796	S	S	*	*			trans	36.7	129.8	152.2	-65.2	161.3	64.7	0	0	120.7
814	G	24.4	Very low	26.9	Very low	77 Å²	77	145 Å²	145	79%	0.794	81%	0.809	S	S	*	*			cis	-170.5	179.4	2	0	0	0	0	0	109.4
815	Q	24.3	Very low	27.1	Very low	184 Å²	184	143.7 Å²	143.7	86%	0.86	80%	0.802	S	S	*	*			cis	-157.9	170.8	28.6	-124.1	-180	9.6	0	0	111.4
816	L	23.9	Very low	27.5	Very low	153 Å²	153	143 Å²	143	80%	0.801	80%	0.797	S	S	*	*			trans	72.2	78.8	160.8	-69.6	158.8	0	0	0	120.3
817	A	24	Very low	27.9	Very low	92 Å²	92	144.2 Å²	144.2	76%	0.76	79%	0.791	S	S	*	*				35.4	146.2	112.6	0	0	0	0	0	122.6
818	S	25	Very low	28.7	Very low	93 Å²	93	140 Å²	140	65%	0.65	77%	0.771	S	S	*	*			cis	-177.9	144.4	-13.3	56.2	0	0	0	0	113.3
819	F	25.1	Very low	29.3	Very low	202 Å²	202	140.4 Å²	140.4	89%	0.886	76%	0.76	S	S	*	*			trans	64	148.7	154.5	-66.7	-54.1	0	0	0	119.7
820	S	25.8	Very low	30	Very low	103 Å²	103	137.3 Å²	137.3	72%	0.72	75%	0.749	S	S	*	*			cis	-158.4	157.9	-4.6	46.4	0	0	0	0	113.8
821	K	26.4	Very low	30.5	Very low	197 Å²	197	133.3 Å²	133.3	86%	0.857	73%	0.728	S	S	*	*			trans	-0.5	149.2	142.1	-67.3	-179.4	-179.4	-179.6	0	118.2
822	S	29.5	Very low	31.1	Very low	104 Å²	104	135.7 Å²	135.7	73%	0.727	73%	0.728	S	S	*	*			cis	179.2	174.5	-2.7	48.6	0	0	0	0	109.7
823	V	28.1	Very low	31.8	Very low	119 Å²	119	135.6 Å²	135.6	72%	0.721	73%	0.726	S	S	*	*			trans	139.4	128	149.7	165.5	0	0	0	0	111.1	Q825	V823-Q825 HydrophobicContact CG1-CG 4.28Å
824	T	33.8	Very low	32.6	Very low	140 Å²	140	134 Å²	134	86%	0.859	72%	0.717	S	S	*	*			trans	-92.4	147.2	166.2	39.9	0	0	0	0	110.6
825	Q	31.9	Very low	33.5	Very low	146 Å²	146	133.3 Å²	133.3	68%	0.682	70%	0.704	S	S	*	*			trans	-120.1	162.8	177.5	-75.6	-166.1	-11.1	0	0	112.7	V823	V823-Q825 HydrophobicContact CG1-CG 4.28Å
826	P	37.3	Very low	34.2	Very low	108 Å²	108	127.5 Å²	127.5	70%	0.701	69%	0.687	S	S	*	*			trans	-87	169.4	-159.1	-12.3	31.4	0	0	0	116.6	E828	P826-E828 VanDerWaalsContact C-N 3.32Å; P826-E828 PolarHBondContact O-N 3Å; P826-E828 VanDerWaalsContact O-N 3.1Å
827	Y	38.5	Very low	34.9	Very low	189 Å²	189	123 Å²	123	74%	0.741	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-15.1	-167.8	-176.6	-109.2	0	0	0	118.1
828	E	42.1	Very low	35.5	Very low	109 Å²	109	124.6 Å²	124.6	51%	0.509	66%	0.664	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84	-24.7	-173.3	-72	-69.5	145.9	0	0	114.5	P826 L830 K831	P826-E828 VanDerWaalsContact C-N 3.32Å; P826-E828 PolarHBondContact O-N 3Å; P826-E828 VanDerWaalsContact O-N 3.1Å; E828-L830 PolarHBondContact O-N 3.27Å; E828-K831 WeakPolarHBondContact O-CB 3.39Å; E828-K831 PolarHBondContact O-N 3.06Å; E828-K831 VanDerWaalsContact O-N 3.13Å; E828-K831 IonicContact OE1-NZ 2.7Å; E828-K831 PolarHBondContact OE1-NZ 3.22Å; E828-K831 WeakPolarHBondContact OE2-CD 3.32Å; E828-K831 IonicContact OE2-NZ 2.87Å; E828-K831 PolarHBondContact OE2-NZ 2.94Å
829	E	41.3	Very low	36.2	Very low	127 Å²	127	123.8 Å²	123.8	59%	0.593	66%	0.663	S	S	*	*	H	α-helix	trans	-68	-24.3	177.4	-67.8	-171.8	157.7	0	0	113	K831	E829-K831 PolarHBondContact O-N 2.89Å
830	L	42.3	Very low	36.9	Very low	125 Å²	125	119.7 Å²	119.7	65%	0.654	65%	0.654	S	S	*	*	H	α-helix	trans	-67.1	-12.5	174.1	-86.5	164.7	0	0	0	113.9	E828	E828-L830 PolarHBondContact O-N 3.27Å
831	K	38.1	Very low	37.3	Very low	122 Å²	122	120.1 Å²	120.1	53%	0.53	65%	0.652	S	S	.	*	H	α-helix	trans	-84.9	-44.1	-178.4	-129.9	166.2	-178.7	173.7	0	111.4	E828 E829 K834 A835	E828-K831 WeakPolarHBondContact O-CB 3.39Å; E828-K831 PolarHBondContact O-N 3.06Å; E828-K831 VanDerWaalsContact O-N 3.13Å; E828-K831 IonicContact OE1-NZ 2.7Å; E828-K831 PolarHBondContact OE1-NZ 3.22Å; E828-K831 WeakPolarHBondContact OE2-CD 3.32Å; E828-K831 IonicContact OE2-NZ 2.87Å; E828-K831 PolarHBondContact OE2-NZ 2.94Å; E829-K831 PolarHBondContact O-N 2.89Å; K831-K834 PolarHBondContact O-N 2.98Å; K831-A835 PolarHBondContact O-N 2.84Å; K831-A835 VanDerWaalsContact O-N 3.16Å
832	E	40.7	Very low	37.6	Very low	154 Å²	154	117.7 Å²	117.7	72%	0.72	65%	0.649	S	S	*	*	H	α-helix	trans	-70.2	-38.2	-178.9	-60	-164.5	152.8	0	0	111.6	K834 A835 A836	E832-K834 PolarHBondContact O-N 3.35Å; E832-A835 PolarHBondContact O-N 2.95Å; E832-A836 PolarHBondContact O-N 2.82Å
833	L	40.2	Very low	37.7	Very low	128 Å²	128	121.6 Å²	121.6	67%	0.67	66%	0.656	S	S	*	*	H	α-helix	trans	-59.4	-28.7	171.8	-79.5	166.8	0	0	0	113.2
834	K	42.4	Very low	37.8	Very low	141 Å²	141	122.4 Å²	122.4	61%	0.613	66%	0.661	S	S	*	*	H	α-helix	trans	-79.9	-40.3	176.4	-157.8	176.5	-176.6	-175.5	0	112.1	K831 E832 A836 A837 E838	K831-K834 PolarHBondContact O-N 2.98Å; E832-K834 PolarHBondContact O-N 3.35Å; K834-A836 VanDerWaalsContact C-N 3.3Å; K834-A836 PolarHBondContact O-N 3.37Å; K834-A837 PolarHBondContact O-N 2.85Å; K834-E838 PolarHBondContact O-N 3.02Å
835	A	41.9	Very low	37.6	Very low	63 Å²	63	127.1 Å²	127.1	52%	0.521	66%	0.663	S	S	.	*	H	α-helix	trans	-62.9	-36	173.8	0	0	0	0	0	112.5	K831 E832 A837 A839	K831-A835 PolarHBondContact O-N 2.84Å; K831-A835 VanDerWaalsContact O-N 3.16Å; E832-A835 PolarHBondContact O-N 2.95Å; A835-A837 VanDerWaalsContact C-N 3.29Å; A835-A837 PolarHBondContact O-N 3.41Å; A835-A839 PolarHBondContact O-N 2.83Å
836	A	40.1	Very low	37.3	Very low	62 Å²	62	131.3 Å²	131.3	51%	0.512	67%	0.673	S	S	.	*	H	α-helix	trans	-64.2	-30.9	175.2	0	0	0	0	0	113.3	E832 K834	E832-A836 PolarHBondContact O-N 2.82Å; K834-A836 VanDerWaalsContact C-N 3.3Å; K834-A836 PolarHBondContact O-N 3.37Å
837	A	38.9	Very low	36.8	Very low	60 Å²	60	134.6 Å²	134.6	50%	0.496	68%	0.681	S	S	.	*	H	α-helix	trans	-74.5	-41.9	178.5	0	0	0	0	0	112.6	K834 A835 A839 V840	K834-A837 PolarHBondContact O-N 2.85Å; A835-A837 VanDerWaalsContact C-N 3.29Å; A835-A837 PolarHBondContact O-N 3.41Å; A837-A839 PolarHBondContact O-N 3.15Å; A837-V840 PolarHBondContact O-N 3.13Å
838	E	37.3	Very low	36.2	Very low	125 Å²	125	130.3 Å²	130.3	58%	0.584	68%	0.679	S	S	*	*	H	α-helix	trans	-69.5	-20.7	-178.7	-68.1	175.5	178.2	0	0	112.9	K834 V840 T841	K834-E838 PolarHBondContact O-N 3.02Å; E838-V840 VanDerWaalsContact C-N 3.35Å; E838-T841 PolarHBondContact O-OG1 3.06Å
839	A	38.4	Very low	35.5	Very low	75 Å²	75	135.9 Å²	135.9	62%	0.62	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-26.8	174	0	0	0	0	0	113.8	A835 A837	A835-A839 PolarHBondContact O-N 2.83Å; A837-A839 PolarHBondContact O-N 3.15Å
840	V	39.9	Very low	34.7	Very low	117 Å²	117	135.8 Å²	135.8	71%	0.709	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-78.9	-21.4	-174.5	-179.8	0	0	0	0	112.4	A837 E838 N842	A837-V840 PolarHBondContact O-N 3.13Å; E838-V840 VanDerWaalsContact C-N 3.35Å; V840-N842 PolarHBondContact O-N 2.81Å
841	T	34.6	Very low	34	Very low	111 Å²	111	137.9 Å²	137.9	68%	0.681	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-83	-2	-171.3	34.5	0	0	0	0	116.5	E838	E838-T841 PolarHBondContact O-OG1 3.06Å
842	N	33.3	Very low	33.7	Very low	146 Å²	146	138.6 Å²	138.6	78%	0.781	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-112.5	-1.9	-170.3	-94.7	-43.6	0	0	0	117.1	V840	V840-N842 PolarHBondContact O-N 2.81Å
843	E	31.5	Very low	32.9	Very low	186 Å²	186	141.1 Å²	141.1	87%	0.869	73%	0.727	S	S	*	*			trans	-114.3	62.4	177.8	-70.1	-149.2	134.7	0	0	114.4
844	T	29.9	Very low	32.3	Very low	137 Å²	137	140.5 Å²	140.5	84%	0.84	73%	0.732	S	S	*	*			trans	-137.8	53.2	169	-36.3	0	0	0	0	112.8
845	R	29.8	Very low	31.6	Very low	239 Å²	239	142.4 Å²	142.4	90%	0.902	75%	0.748	S	S	*	*			trans	-144.9	50.5	179.2	-150.3	-176.5	-173.5	-176.1	4.2	117.1
846	R	25.6	Very low	31	Very low	233 Å²	233	147.2 Å²	147.2	88%	0.879	77%	0.765	S	S	*	*			trans	-172.1	139.8	151.3	-110.6	158.6	-173.5	-177.2	1.7	114.8
847	M	26.4	Very low	30.5	Very low	177 Å²	177	147.5 Å²	147.5	87%	0.872	77%	0.774	S	S	*	*			trans	64.8	165.4	154.9	-64.2	174.4	72.8	0	0	116.3
848	S	24.9	Very low	29.9	Very low	100 Å²	100	148.2 Å²	148.2	70%	0.699	79%	0.787	S	S	*	*			cis	-174	157.9	-33.3	178.8	0	0	0	0	106.3	D850	S848-D850 PolarHBondContact O-N 3.29Å
849	Y	27.4	Very low	29.6	Very low	226 Å²	226	148.2 Å²	148.2	89%	0.886	80%	0.796	S	S	*	*			trans	-55.1	132	167.6	-74.7	-100.5	0	0	0	111.2
850	D	26	Very low	29.1	Very low	124 Å²	124	152.4 Å²	152.4	66%	0.663	81%	0.808	S	S	*	*				-175.9	158.2	106.3	-152.6	0.6	0	0	0	113.6	S848	S848-D850 PolarHBondContact O-N 3.29Å
851	K	27.6	Very low	28.6	Very low	169 Å²	169	150 Å²	150	74%	0.735	81%	0.807	S	S	*	*			trans	42.7	119.5	160.7	-77.3	165.4	-167.9	66.5	0	122.7
852	V	30.2	Very low	28.4	Very low	138 Å²	138	154.3 Å²	154.3	84%	0.836	82%	0.819	S	S	*	*			trans	-70.4	141.6	155.2	173.1	0	0	0	0	112.1
853	K	25.8	Very low	28.3	Very low	206 Å²	206	157.6 Å²	157.6	90%	0.896	82%	0.822	S	S	*	*			trans	-155.1	148.7	145.3	-120.1	176.1	-176	-177.5	0	112.4
854	C	26.6	Very low	28.7	Very low	116 Å²	116	152.4 Å²	152.4	78%	0.784	82%	0.819	S	S	*	*			trans	-80.8	159.6	-170.6	-36.6	0	0	0	0	113.5
855	L	28.3	Very low	29.1	Very low	180 Å²	180	150.5 Å²	150.5	94%	0.942	82%	0.817	S	S	*	*			trans	-155.1	167.1	134.3	-110.2	165.8	0	0	0	110.3
856	D	28.6	Very low	29.4	Very low	165 Å²	165	144 Å²	144	88%	0.882	81%	0.807	S	S	*	*			trans	-120.5	158.1	-157.7	-160	-7.4	0	0	0	112
857	G	28.7	Very low	30.1	Very low	68 Å²	68	136.1 Å²	136.1	70%	0.701	79%	0.787	S	S	*	*			trans	160.3	123.3	177.2	0	0	0	0	0	115.7
858	G	28	Very low	30.8	Very low	74 Å²	74	135.7 Å²	135.7	76%	0.763	78%	0.78	S	S	*	*			trans	-84.7	-170.2	169.5	0	0	0	0	0	113.4
859	T	29.3	Very low	31.8	Very low	126 Å²	126	133.6 Å²	133.6	77%	0.773	77%	0.769	S	S	*	*			cis	-156.3	152.1	15.7	50.6	0	0	0	0	113.1
860	N	29.8	Very low	32.9	Very low	163 Å²	163	126.3 Å²	126.3	87%	0.872	75%	0.751	S	S	*	*			trans	55.2	115.4	150	-60.6	-5.7	0	0	0	120.6
861	G	28.7	Very low	34.3	Very low	67 Å²	67	123.4 Å²	123.4	69%	0.691	74%	0.74	S	S	*	*			trans	178.6	125.8	160.3	0	0	0	0	0	113.2
862	E	29.8	Very low	35.8	Very low	201 Å²	201	120.6 Å²	120.6	94%	0.939	73%	0.73	S	S	*	*			trans	43.7	96.7	159.3	-57.2	-170.9	165.3	0	0	119.7
863	Y	32.4	Very low	37.5	Very low	215 Å²	215	117.5 Å²	117.5	84%	0.843	71%	0.711	S	S	*	*			trans	-102	113.8	164.7	-101.4	-114.3	0	0	0	110.5
864	G	38.9	Very low	39.5	Very low	77 Å²	77	110.3 Å²	110.3	79%	0.794	69%	0.69	S	S	*	*	S	Bend	trans	-155.7	-12.5	-178.1	0	0	0	0	0	118.5
865	A	37.7	Very low	41.6	Very low	97 Å²	97	110.4 Å²	110.4	80%	0.802	68%	0.679	S	S	*	*	S	Bend	trans	-149.5	-30.5	-178.7	0	0	0	0	0	115.9	C867	A865-C867 VanDerWaalsContact C-N 3.27Å; A865-C867 PolarHBondContact O-N 2.83Å; A865-C867 VanDerWaalsContact O-N 3.17Å
866	C	36.9	Very low	43.3	Very low	103 Å²	103	107 Å²	107	70%	0.696	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	4.6	-166.7	-154.1	0	0	0	0	115.6	K868 S870	C866-K868 PolarHBondContact O-N 3.32Å; C866-S870 WeakPolarHBondContact O-CB 3.37Å; C866-S870 PolarHBondContact O-N 2.7Å
867	C	39.7	Very low	45.4	Very low	67 Å²	67	105.9 Å²	105.9	45%	0.453	65%	0.649	S	S	.	*	H	α-helix	trans	-73.5	-30.3	-164.3	-56.3	0	0	0	0	115.1	A865 S871	A865-C867 VanDerWaalsContact C-N 3.27Å; A865-C867 PolarHBondContact O-N 2.83Å; A865-C867 VanDerWaalsContact O-N 3.17Å; C867-S871 WeakPolarHBondContact O-CB 3.33Å; C867-S871 PolarHBondContact O-N 2.69Å; C867-S871 VanDerWaalsContact O-N 3.14Å
868	K	42.4	Very low	47.9	Very low	167 Å²	167	109.8 Å²	109.8	73%	0.726	65%	0.649	S	S	*	*	H	α-helix	trans	-75	-53.9	-176.6	-71.4	-172.8	175.4	-175.8	0	112.6	C866 S870 S871 E872	C866-K868 PolarHBondContact O-N 3.32Å; K868-S870 VanDerWaalsContact C-N 3.25Å; K868-S870 PolarHBondContact O-N 2.87Å; K868-S871 WeakPolarHBondContact O-CA 3.23Å; K868-S871 WeakPolarHBondContact O-CB 3.49Å; K868-S871 PolarHBondContact O-N 3.28Å; K868-E872 WeakPolarHBondContact O-CG 3.5Å; K868-E872 PolarHBondContact O-N 2.76Å
869	A	44.9	Very low	50.2	Low	56 Å²	56	110 Å²	110	46%	0.463	64%	0.635	S	S	.	*	H	α-helix	trans	-59.2	-36.5	176.6	0	0	0	0	0	112.4	E872 V873	A869-E872 PolarHBondContact O-N 2.69Å; A869-V873 WeakPolarHBondContact O-CB 3.47Å; A869-V873 VanDerWaalsContact O-CG2 3.3Å; A869-V873 WeakPolarHBondContact O-CG2 3.31Å; A869-V873 PolarHBondContact O-N 3.09Å
870	S	51	Low	52.6	Low	74 Å²	74	109.1 Å²	109.1	52%	0.517	63%	0.625	S	S	.	*	H	α-helix	trans	-64.9	-41.6	174.3	-168.4	0	0	0	0	112.4	C866 K868 A874	C866-S870 WeakPolarHBondContact O-CB 3.37Å; C866-S870 PolarHBondContact O-N 2.7Å; K868-S870 VanDerWaalsContact C-N 3.25Å; K868-S870 PolarHBondContact O-N 2.87Å; S870-A874 WeakPolarHBondContact O-CB 3.4Å; S870-A874 PolarHBondContact O-N 3.41Å
871	S	54.8	Low	55	Low	62 Å²	62	103.3 Å²	103.3	43%	0.434	60%	0.6	S	S	.	*	H	α-helix	trans	-61.9	-45.9	174	-175.1	0	0	0	0	112.2	C867 K868 A874 Q875	C867-S871 WeakPolarHBondContact O-CB 3.33Å; C867-S871 PolarHBondContact O-N 2.69Å; C867-S871 VanDerWaalsContact O-N 3.14Å; K868-S871 WeakPolarHBondContact O-CA 3.23Å; K868-S871 WeakPolarHBondContact O-CB 3.49Å; K868-S871 PolarHBondContact O-N 3.28Å; S871-A874 PolarHBondContact O-N 3.43Å; S871-Q875 WeakPolarHBondContact O-CG 3.23Å; S871-Q875 PolarHBondContact O-N 3.09Å
872	E	60	Low	57.6	Low	110 Å²	110	105.5 Å²	105.5	51%	0.514	59%	0.592	S	S	.	*	H	α-helix	trans	-65.5	-42.7	179.9	-70.9	158.7	-166.5	0	0	111.4	K868 A869 A874 Q875 L876	K868-E872 WeakPolarHBondContact O-CG 3.5Å; K868-E872 PolarHBondContact O-N 2.76Å; A869-E872 PolarHBondContact O-N 2.69Å; E872-A874 VanDerWaalsContact C-N 3.33Å; E872-A874 PolarHBondContact O-N 2.73Å; E872-Q875 PolarHBondContact O-N 2.88Å; E872-L876 WeakPolarHBondContact O-CB 3.48Å; E872-L876 VanDerWaalsContact O-CG 3.29Å; E872-L876 WeakPolarHBondContact O-CG 3.41Å; E872-L876 PolarHBondContact O-N 2.85Å
873	V	64.8	Low	60	Low	73 Å²	73	99.6 Å²	99.6	44%	0.442	56%	0.564	S	S	.	*	H	α-helix	trans	-66.4	-32.8	174.5	170.7	0	0	0	0	112.1	A869 K877	A869-V873 WeakPolarHBondContact O-CB 3.47Å; A869-V873 VanDerWaalsContact O-CG2 3.3Å; A869-V873 WeakPolarHBondContact O-CG2 3.31Å; A869-V873 PolarHBondContact O-N 3.09Å; V873-K877 HydrophobicContact CG1-CD 4.26Å; V873-K877 WeakPolarHBondContact O-CB 3.39Å; V873-K877 VanDerWaalsContact O-CG 3.3Å; V873-K877 WeakPolarHBondContact O-CG 3.4Å; V873-K877 PolarHBondContact O-N 3.39Å; V873-K877 VanDerWaalsContact O-N 3.09Å
874	A	68.5	Low	62.4	Low	56 Å²	56	95.3 Å²	95.3	46%	0.463	55%	0.552	S	S	.	*	H	α-helix	trans	-67.5	-47.7	173	0	0	0	0	0	111.6	S870 S871 E872 L876 K877 E878	S870-A874 WeakPolarHBondContact O-CB 3.4Å; S870-A874 PolarHBondContact O-N 3.41Å; S871-A874 PolarHBondContact O-N 3.43Å; E872-A874 VanDerWaalsContact C-N 3.33Å; E872-A874 PolarHBondContact O-N 2.73Å; A874-L876 VanDerWaalsContact C-N 3.34Å; A874-L876 PolarHBondContact O-N 2.57Å; A874-K877 PolarHBondContact O-N 3.48Å; A874-E878 PolarHBondContact O-N 3.36Å
875	Q	70.2	Confident	64.6	Low	117 Å²	117	98.4 Å²	98.4	55%	0.547	54%	0.543	S	S	.	.	H	α-helix	trans	-61.6	-39.3	176	-73.4	-178	-45.5	0	0	112.4	S871 E872 E878 T879	S871-Q875 WeakPolarHBondContact O-CG 3.23Å; S871-Q875 PolarHBondContact O-N 3.09Å; E872-Q875 PolarHBondContact O-N 2.88Å; Q875-E878 PolarHBondContact O-N 2.91Å; Q875-T879 WeakPolarHBondContact O-CB 3.48Å; Q875-T879 PolarHBondContact O-N 2.84Å; Q875-T879 PolarHBondContact O-OG1 3.26Å
876	L	64.8	Low	66.8	Low	110 Å²	110	100.1 Å²	100.1	58%	0.576	53%	0.529	S	S	*	.	H	α-helix	trans	-65.2	-38	175.3	-74.3	167.6	0	0	0	112.3	E872 A874 T879 L880	E872-L876 WeakPolarHBondContact O-CB 3.48Å; E872-L876 VanDerWaalsContact O-CG 3.29Å; E872-L876 WeakPolarHBondContact O-CG 3.41Å; E872-L876 PolarHBondContact O-N 2.85Å; A874-L876 VanDerWaalsContact C-N 3.34Å; A874-L876 PolarHBondContact O-N 2.57Å; L876-T879 PolarHBondContact O-N 2.8Å; L876-L880 WeakPolarHBondContact O-CB 3.42Å; L876-L880 WeakPolarHBondContact O-CG 3.36Å; L876-L880 PolarHBondContact O-N 2.71Å
877	K	71.7	Confident	69.1	Low	141 Å²	141	99.8 Å²	99.8	61%	0.613	52%	0.519	S	S	*	.	H	α-helix	trans	-67.7	-41.1	174.2	-76.3	172.3	179.6	177.7	0	112.6	V873 A874 L880 A881	V873-K877 HydrophobicContact CG1-CD 4.26Å; V873-K877 WeakPolarHBondContact O-CB 3.39Å; V873-K877 VanDerWaalsContact O-CG 3.3Å; V873-K877 WeakPolarHBondContact O-CG 3.4Å; V873-K877 PolarHBondContact O-N 3.39Å; V873-K877 VanDerWaalsContact O-N 3.09Å; A874-K877 PolarHBondContact O-N 3.48Å; K877-L880 PolarHBondContact O-N 3.27Å; K877-A881 WeakPolarHBondContact O-CB 3.2Å; K877-A881 PolarHBondContact O-N 2.94Å
878	E	81.3	Confident	71.2	Confident	150 Å²	150	103.4 Å²	103.4	70%	0.701	53%	0.529	S	S	*	.	H	α-helix	trans	-65.4	-39.9	174.5	-173.7	166.9	-148.9	0	0	111.5	A874 Q875 A881 H882	A874-E878 PolarHBondContact O-N 3.36Å; Q875-E878 PolarHBondContact O-N 2.91Å; E878-A881 PolarHBondContact O-N 3.46Å; E878-H882 WeakPolarHBondContact O-CB 3.31Å; E878-H882 PolarHBondContact O-N 3.17Å
879	T	77.1	Confident	73.3	Confident	77 Å²	77	98.1 Å²	98.1	47%	0.472	52%	0.517	S	S	.	.	H	α-helix	trans	-63.2	-44.4	174.3	-54.9	0	0	0	0	111.5	Q875 L876 H882 Q883	Q875-T879 WeakPolarHBondContact O-CB 3.48Å; Q875-T879 PolarHBondContact O-N 2.84Å; Q875-T879 PolarHBondContact O-OG1 3.26Å; L876-T879 PolarHBondContact O-N 2.8Å; T879-H882 WeakPolarHBondContact O-CB 3.39Å; T879-H882 PolarHBondContact O-N 3.44Å; T879-Q883 WeakPolarHBondContact O-CG 3.48Å; T879-Q883 PolarHBondContact O-N 3.4Å
880	L	78.4	Confident	75.1	Confident	108 Å²	108	99.9 Å²	99.9	57%	0.565	52%	0.518	S	S	*	.	H	α-helix	trans	-60.2	-49.1	174.3	-82	164.4	0	0	0	111.6	L876 K877 H882 Q883 E884	L876-L880 WeakPolarHBondContact O-CB 3.42Å; L876-L880 WeakPolarHBondContact O-CG 3.36Å; L876-L880 PolarHBondContact O-N 2.71Å; K877-L880 PolarHBondContact O-N 3.27Å; L880-H882 PolarHBondContact O-N 3.05Å; L880-Q883 PolarHBondContact O-N 3.14Å; L880-E884 WeakPolarHBondContact O-CG 3.45Å; L880-E884 PolarHBondContact O-N 3.01Å
881	A	80.8	Confident	76.8	Confident	41 Å²	41	101 Å²	101	34%	0.339	52%	0.516	S	S	.	.	H	α-helix	trans	-63.2	-25.3	177.6	0	0	0	0	0	113.3	K877 E878 K885	K877-A881 WeakPolarHBondContact O-CB 3.2Å; K877-A881 PolarHBondContact O-N 2.94Å; E878-A881 PolarHBondContact O-N 3.46Å; A881-K885 WeakPolarHBondContact O-CG 3.29Å; A881-K885 PolarHBondContact O-N 3.46Å
882	H	84	Confident	78.4	Confident	113 Å²	113	103.7 Å²	103.7	52%	0.523	52%	0.519	S	S	.	.	H	α-helix	trans	-75.2	-40.7	170.4	-174.2	96.4	0	0	0	112	E878 T879 L880 K885 R886	E878-H882 WeakPolarHBondContact O-CB 3.31Å; E878-H882 PolarHBondContact O-N 3.17Å; T879-H882 WeakPolarHBondContact O-CB 3.39Å; T879-H882 PolarHBondContact O-N 3.44Å; L880-H882 PolarHBondContact O-N 3.05Å; H882-K885 PolarHBondContact O-N 2.87Å; H882-R886 PolarHBondContact O-N 3.24Å
883	Q	78.7	Confident	79.6	Confident	78 Å²	78	103.8 Å²	103.8	36%	0.364	52%	0.52	S	S	.	.	H	α-helix	trans	-68.8	-39.1	176.5	-65.8	-64.8	-3.5	0	0	112.4	T879 L880 K885 R886 I887	T879-Q883 WeakPolarHBondContact O-CG 3.48Å; T879-Q883 PolarHBondContact O-N 3.4Å; L880-Q883 PolarHBondContact O-N 3.14Å; Q883-K885 VanDerWaalsContact C-N 3.33Å; Q883-K885 PolarHBondContact O-N 2.86Å; Q883-R886 WeakPolarHBondContact O-CB 3.4Å; Q883-R886 PolarHBondContact O-N 3.3Å; Q883-R886 VanDerWaalsContact O-N 3.1Å; Q883-I887 WeakPolarHBondContact O-CG1 3.16Å; Q883-I887 PolarHBondContact O-N 2.88Å
884	E	84.2	Confident	80.6	Confident	124 Å²	124	105 Å²	105	58%	0.579	52%	0.522	S	S	*	.	H	α-helix	trans	-57.3	-45.3	172.8	-72.4	177.2	152	0	0	111.2	L880 R886 I887 E888	L880-E884 WeakPolarHBondContact O-CG 3.45Å; L880-E884 PolarHBondContact O-N 3.01Å; E884-R886 VanDerWaalsContact C-N 3.34Å; E884-R886 PolarHBondContact O-N 3.05Å; E884-I887 WeakPolarHBondContact O-CB 3.23Å; E884-I887 PolarHBondContact O-N 3.02Å; E884-I887 VanDerWaalsContact O-N 3.13Å; E884-E888 PolarHBondContact O-N 3.24Å
885	K	84.9	Confident	81.6	Confident	143 Å²	143	107.8 Å²	107.8	62%	0.622	52%	0.524	S	S	*	.	H	α-helix	trans	-64.5	-33.6	174.5	-73.8	173.8	-178.1	172.9	0	113.5	A881 H882 Q883 A889	A881-K885 WeakPolarHBondContact O-CG 3.29Å; A881-K885 PolarHBondContact O-N 3.46Å; H882-K885 PolarHBondContact O-N 2.87Å; Q883-K885 VanDerWaalsContact C-N 3.33Å; Q883-K885 PolarHBondContact O-N 2.86Å; K885-A889 WeakPolarHBondContact O-CB 3.35Å; K885-A889 PolarHBondContact O-N 2.81Å
886	R	83.2	Confident	82.5	Confident	133 Å²	133	107 Å²	107	50%	0.502	52%	0.521	S	S	.	.	H	α-helix	trans	-65.4	-40.7	171	-78	175.8	57.6	162.4	-2.9	111.3	H882 Q883 E884 A889 L890	H882-R886 PolarHBondContact O-N 3.24Å; Q883-R886 WeakPolarHBondContact O-CB 3.4Å; Q883-R886 PolarHBondContact O-N 3.3Å; Q883-R886 VanDerWaalsContact O-N 3.1Å; E884-R886 VanDerWaalsContact C-N 3.34Å; E884-R886 PolarHBondContact O-N 3.05Å; R886-A889 PolarHBondContact O-N 2.89Å; R886-L890 WeakPolarHBondContact O-CB 3.48Å; R886-L890 VanDerWaalsContact O-CG 3.28Å; R886-L890 WeakPolarHBondContact O-CG 3.46Å; R886-L890 PolarHBondContact O-N 3.16Å
887	I	84.8	Confident	83.5	Confident	96 Å²	96	107.2 Å²	107.2	49%	0.492	52%	0.519	S	S	.	.	H	α-helix	trans	-65.6	-46.6	177.1	-66.9	163.9	0	0	0	110.5	Q883 E884 A889 L890 E891	Q883-I887 WeakPolarHBondContact O-CG1 3.16Å; Q883-I887 PolarHBondContact O-N 2.88Å; E884-I887 WeakPolarHBondContact O-CB 3.23Å; E884-I887 PolarHBondContact O-N 3.02Å; E884-I887 VanDerWaalsContact O-N 3.13Å; I887-A889 VanDerWaalsContact C-N 3.32Å; I887-A889 PolarHBondContact O-N 3.1Å; I887-L890 PolarHBondContact O-N 3.34Å; I887-E891 WeakPolarHBondContact O-CB 3.28Å; I887-E891 PolarHBondContact O-N 2.93Å
888	E	85.1	Confident	84.1	Confident	142 Å²	142	105.9 Å²	105.9	66%	0.664	52%	0.515	S	S	*	.	H	α-helix	trans	-58.8	-41.5	174.5	-72	-169.2	139.8	0	0	112.5	E884 K892	E884-E888 PolarHBondContact O-N 3.24Å; E888-K892 WeakPolarHBondContact O-CB 3.5Å; E888-K892 PolarHBondContact O-N 2.92Å
889	A	86.9	Confident	84.5	Confident	57 Å²	57	104.9 Å²	104.9	47%	0.471	51%	0.508	S	S	.	.	H	α-helix	trans	-65	-44.4	177.2	0	0	0	0	0	112.1	K885 R886 I887 K892 Q893	K885-A889 WeakPolarHBondContact O-CB 3.35Å; K885-A889 PolarHBondContact O-N 2.81Å; R886-A889 PolarHBondContact O-N 2.89Å; I887-A889 VanDerWaalsContact C-N 3.32Å; I887-A889 PolarHBondContact O-N 3.1Å; A889-K892 PolarHBondContact O-N 3.09Å; A889-Q893 WeakPolarHBondContact O-CB 3.22Å; A889-Q893 PolarHBondContact O-N 3.29Å
890	L	81.4	Confident	84.9	Confident	92 Å²	92	105.6 Å²	105.6	48%	0.482	51%	0.506	S	S	.	.	H	α-helix	trans	-66	-41.2	176.2	-72.2	169	0	0	0	111.8	R886 I887 K892 Q893 I894	R886-L890 WeakPolarHBondContact O-CB 3.48Å; R886-L890 VanDerWaalsContact O-CG 3.28Å; R886-L890 WeakPolarHBondContact O-CG 3.46Å; R886-L890 PolarHBondContact O-N 3.16Å; I887-L890 PolarHBondContact O-N 3.34Å; L890-K892 VanDerWaalsContact C-N 3.33Å; L890-K892 PolarHBondContact O-N 2.91Å; L890-Q893 PolarHBondContact O-N 2.87Å; L890-I894 WeakPolarHBondContact O-CB 2.95Å; L890-I894 VanDerWaalsContact O-CG1 3.27Å; L890-I894 WeakPolarHBondContact O-CG1 3.41Å; L890-I894 PolarHBondContact O-N 3.13Å
891	E	87.4	Confident	85.2	Confident	99 Å²	99	104.3 Å²	104.3	46%	0.463	50%	0.5	S	S	.	.	H	α-helix	trans	-59.4	-42.5	172.9	-87.9	-157.6	-153.9	0	0	112.3	I887 I894 K895	I887-E891 WeakPolarHBondContact O-CB 3.28Å; I887-E891 PolarHBondContact O-N 2.93Å; E891-I894 PolarHBondContact O-N 3.23Å; E891-K895 WeakPolarHBondContact O-CB 3.37Å; E891-K895 WeakPolarHBondContact O-CD 3.44Å; E891-K895 VanDerWaalsContact O-CG 3.25Å; E891-K895 WeakPolarHBondContact O-CG 3.41Å; E891-K895 PolarHBondContact O-N 3.24Å; E891-K895 IonicContact OE2-NZ 2.65Å; E891-K895 PolarHBondContact OE2-NZ 3.07Å
892	K	89.1	Confident	85.6	Confident	117 Å²	117	108.9 Å²	108.9	51%	0.509	51%	0.514	S	S	.	.	H	α-helix	trans	-63.2	-44.4	175.6	-178.3	-179.7	174.3	-63.7	0	110.9	E888 A889 L890 K895 E896	E888-K892 WeakPolarHBondContact O-CB 3.5Å; E888-K892 PolarHBondContact O-N 2.92Å; A889-K892 PolarHBondContact O-N 3.09Å; L890-K892 VanDerWaalsContact C-N 3.33Å; L890-K892 PolarHBondContact O-N 2.91Å; K892-K895 PolarHBondContact O-N 3.2Å; K892-E896 WeakPolarHBondContact CE-OE1 3.2Å; K892-E896 IonicContact NZ-OE1 3.31Å; K892-E896 PolarHBondContact NZ-OE1 3.33Å; K892-E896 IonicContact NZ-OE2 3.91Å; K892-E896 PolarHBondContact NZ-OE2 2.96Å; K892-E896 WeakPolarHBondContact O-CG 3.33Å; K892-E896 PolarHBondContact O-N 3.39Å
893	Q	84	Confident	85.8	Confident	113 Å²	113	110.5 Å²	110.5	53%	0.528	52%	0.516	S	S	.	.	H	α-helix	trans	-64.2	-40.8	178.3	-166.1	170.7	1.9	0	0	111.7	A889 L890 E896 Q897	A889-Q893 WeakPolarHBondContact O-CB 3.22Å; A889-Q893 PolarHBondContact O-N 3.29Å; L890-Q893 PolarHBondContact O-N 2.87Å; Q893-E896 PolarHBondContact O-N 3.42Å; Q893-Q897 WeakPolarHBondContact O-CB 3.41Å; Q893-Q897 PolarHBondContact O-N 2.9Å
894	I	87.1	Confident	86.1	Confident	97 Å²	97	111.4 Å²	111.4	50%	0.497	52%	0.522	S	S	.	.	H	α-helix	trans	-62.5	-43.8	173.4	-70.6	164.5	0	0	0	111.2	L890 E891 E896 Q897 Q898	L890-I894 WeakPolarHBondContact O-CB 2.95Å; L890-I894 VanDerWaalsContact O-CG1 3.27Å; L890-I894 WeakPolarHBondContact O-CG1 3.41Å; L890-I894 PolarHBondContact O-N 3.13Å; E891-I894 PolarHBondContact O-N 3.23Å; I894-E896 VanDerWaalsContact C-N 3.31Å; I894-E896 PolarHBondContact O-N 2.84Å; I894-Q897 PolarHBondContact O-N 3.37Å; I894-Q898 HydrophobicContact CG2-CG 4.46Å; I894-Q898 WeakPolarHBondContact O-CB 3.33Å; I894-Q898 VanDerWaalsContact O-CG 3.29Å; I894-Q898 WeakPolarHBondContact O-CG 3.29Å; I894-Q898 PolarHBondContact O-N 3.18Å
895	K	88.5	Confident	85.9	Confident	115 Å²	115	113.4 Å²	113.4	50%	0.5	53%	0.525	S	S	.	.	H	α-helix	trans	-64.7	-34.4	176.6	-72.3	161.2	-170.3	159.7	0	112.1	E891 K892 K899	E891-K895 WeakPolarHBondContact O-CB 3.37Å; E891-K895 WeakPolarHBondContact O-CD 3.44Å; E891-K895 VanDerWaalsContact O-CG 3.25Å; E891-K895 WeakPolarHBondContact O-CG 3.41Å; E891-K895 PolarHBondContact O-N 3.24Å; E891-K895 IonicContact OE2-NZ 2.65Å; E891-K895 PolarHBondContact OE2-NZ 3.07Å; K892-K895 PolarHBondContact O-N 3.2Å; K895-K899 WeakPolarHBondContact O-CB 3.44Å; K895-K899 PolarHBondContact O-N 3Å
896	E	88.9	Confident	85.9	Confident	102 Å²	102	108.5 Å²	108.5	48%	0.477	51%	0.511	S	S	.	.	H	α-helix	trans	-71	-43.3	173.3	-75	170.2	174.8	0	0	111.5	K892 Q893 I894 Q898 K899 E900	K892-E896 WeakPolarHBondContact CE-OE1 3.2Å; K892-E896 IonicContact NZ-OE1 3.31Å; K892-E896 PolarHBondContact NZ-OE1 3.33Å; K892-E896 IonicContact NZ-OE2 3.91Å; K892-E896 PolarHBondContact NZ-OE2 2.96Å; K892-E896 WeakPolarHBondContact O-CG 3.33Å; K892-E896 PolarHBondContact O-N 3.39Å; Q893-E896 PolarHBondContact O-N 3.42Å; I894-E896 VanDerWaalsContact C-N 3.31Å; I894-E896 PolarHBondContact O-N 2.84Å; E896-Q898 PolarHBondContact O-N 2.8Å; E896-K899 PolarHBondContact O-N 3.01Å; E896-E900 PolarHBondContact O-N 3.47Å
897	Q	85.4	Confident	85.7	Confident	114 Å²	114	104.5 Å²	104.5	53%	0.533	51%	0.507	S	S	.	.	H	α-helix	trans	-60.8	-41.9	174.4	-157.4	86	27.6	0	0	112.4	Q893 I894 E900 N901	Q893-Q897 WeakPolarHBondContact O-CB 3.41Å; Q893-Q897 PolarHBondContact O-N 2.9Å; I894-Q897 PolarHBondContact O-N 3.37Å; Q897-E900 PolarHBondContact O-N 2.86Å; Q897-N901 WeakPolarHBondContact O-CB 3.33Å; Q897-N901 VanDerWaalsContact O-CG 3.32Å; Q897-N901 PolarHBondContact O-N 3.38Å; Q897-N901 PolarHBondContact O-ND2 2.87Å
898	Q	85.8	Confident	85.6	Confident	112 Å²	112	104.2 Å²	104.2	52%	0.523	51%	0.505	S	S	.	.	H	α-helix	trans	-61	-43.9	175	-77	172.4	-12.6	0	0	111.3	I894 E896 E900 N901 E902	I894-Q898 HydrophobicContact CG2-CG 4.46Å; I894-Q898 WeakPolarHBondContact O-CB 3.33Å; I894-Q898 VanDerWaalsContact O-CG 3.29Å; I894-Q898 WeakPolarHBondContact O-CG 3.29Å; I894-Q898 PolarHBondContact O-N 3.18Å; E896-Q898 PolarHBondContact O-N 2.8Å; Q898-E900 VanDerWaalsContact C-N 3.34Å; Q898-E900 PolarHBondContact O-N 3.15Å; Q898-N901 PolarHBondContact O-N 3.06Å; Q898-E902 WeakPolarHBondContact O-CG 3.45Å; Q898-E902 PolarHBondContact O-N 3.3Å
899	K	88.3	Confident	85.2	Confident	129 Å²	129	101.4 Å²	101.4	56%	0.561	50%	0.495	S	S	*	.	H	α-helix	trans	-67.9	-31.6	177.8	-166.2	173.6	-172.5	172.5	0	113	K895 E896 R903	K895-K899 WeakPolarHBondContact O-CB 3.44Å; K895-K899 PolarHBondContact O-N 3Å; E896-K899 PolarHBondContact O-N 3.01Å; K899-R903 WeakPolarHBondContact O-CD 3.45Å; K899-R903 VanDerWaalsContact O-CG 3.28Å; K899-R903 WeakPolarHBondContact O-CG 3.39Å; K899-R903 PolarHBondContact O-N 2.98Å
900	E	86.9	Confident	84.7	Confident	92 Å²	92	106 Å²	106	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-67.5	-45.4	170.1	-151.6	74.9	-89.1	0	0	111	E896 Q897 Q898 E902 R903 L904	E896-E900 PolarHBondContact O-N 3.47Å; Q897-E900 PolarHBondContact O-N 2.86Å; Q898-E900 VanDerWaalsContact C-N 3.34Å; Q898-E900 PolarHBondContact O-N 3.15Å; E900-E902 PolarHBondContact O-N 2.83Å; E900-R903 WeakPolarHBondContact O-CB 3.39Å; E900-R903 PolarHBondContact O-N 3.05Å; E900-R903 VanDerWaalsContact O-N 3.14Å; E900-R903 VanDerWaalsContact OE1-CD 3.3Å; E900-R903 WeakPolarHBondContact OE1-CD 3.49Å; E900-R903 IonicContact OE1-CZ 3.04Å; E900-R903 IonicContact OE1-NH1 2.65Å; E900-R903 PolarHBondContact OE1-NH1 3.31Å; E900-R903 IonicContact OE2-NH1 2.73Å; E900-L904 WeakPolarHBondContact O-CG 3.39Å; E900-L904 PolarHBondContact O-N 2.86Å
901	N	83.6	Confident	84.2	Confident	81 Å²	81	104.6 Å²	104.6	43%	0.433	50%	0.497	S	S	.	.	H	α-helix	trans	-62	-39.9	176.1	-73	-22.3	0	0	0	112.3	Q897 Q898 L904 W905	Q897-N901 WeakPolarHBondContact O-CB 3.33Å; Q897-N901 VanDerWaalsContact O-CG 3.32Å; Q897-N901 PolarHBondContact O-N 3.38Å; Q897-N901 PolarHBondContact O-ND2 2.87Å; Q898-N901 PolarHBondContact O-N 3.06Å; N901-L904 PolarHBondContact O-N 2.84Å; N901-W905 WeakPolarHBondContact O-CB 3.23Å; N901-W905 PolarHBondContact O-N 3.27Å
902	E	89.8	Confident	83.5	Confident	137 Å²	137	102.3 Å²	102.3	64%	0.64	49%	0.49	S	S	*	.	H	α-helix	trans	-60.8	-42	172.2	-75.8	-178.7	165.2	0	0	112.2	Q898 E900 W905 A906	Q898-E902 WeakPolarHBondContact O-CG 3.45Å; Q898-E902 PolarHBondContact O-N 3.3Å; E900-E902 PolarHBondContact O-N 2.83Å; E902-W905 PolarHBondContact O-N 2.98Å; E902-A906 VanDerWaalsContact O-CB 3.29Å; E902-A906 WeakPolarHBondContact O-CB 3.16Å; E902-A906 PolarHBondContact O-N 3.31Å
903	R	88.7	Confident	82.4	Confident	148 Å²	148	101.8 Å²	101.8	56%	0.558	49%	0.493	S	S	*	.	H	α-helix	trans	-63.3	-43.3	175.2	-73.9	163	165.1	-179	-2.8	111.9	K899 E900 A906 A907	K899-R903 WeakPolarHBondContact O-CD 3.45Å; K899-R903 VanDerWaalsContact O-CG 3.28Å; K899-R903 WeakPolarHBondContact O-CG 3.39Å; K899-R903 PolarHBondContact O-N 2.98Å; E900-R903 WeakPolarHBondContact O-CB 3.39Å; E900-R903 PolarHBondContact O-N 3.05Å; E900-R903 VanDerWaalsContact O-N 3.14Å; E900-R903 VanDerWaalsContact OE1-CD 3.3Å; E900-R903 WeakPolarHBondContact OE1-CD 3.49Å; E900-R903 IonicContact OE1-CZ 3.04Å; E900-R903 IonicContact OE1-NH1 2.65Å; E900-R903 PolarHBondContact OE1-NH1 3.31Å; E900-R903 IonicContact OE2-NH1 2.73Å; R903-A906 CarbonylContact O-C 3.53Å; R903-A906 PolarHBondContact O-N 2.81Å; R903-A907 PolarHBondContact O-N 3.45Å
904	L	83.6	Confident	81.4	Confident	97 Å²	97	101.9 Å²	101.9	51%	0.508	49%	0.493	S	S	.	.	H	α-helix	trans	-64.1	-46.4	177.4	-70.1	170	0	0	0	111	E900 N901 A906 A907 I908	E900-L904 WeakPolarHBondContact O-CG 3.39Å; E900-L904 PolarHBondContact O-N 2.86Å; N901-L904 PolarHBondContact O-N 2.84Å; L904-A906 VanDerWaalsContact C-N 3.33Å; L904-A906 PolarHBondContact O-N 3.2Å; L904-A907 WeakPolarHBondContact O-CA 3.29Å; L904-A907 WeakPolarHBondContact O-CB 3.26Å; L904-A907 PolarHBondContact O-N 3.25Å; L904-I908 WeakPolarHBondContact O-CG1 3.44Å; L904-I908 PolarHBondContact O-N 2.86Å
905	W	80.3	Confident	80.2	Confident	165 Å²	165	102.1 Å²	102.1	63%	0.625	49%	0.492	S	S	*	.	H	α-helix	trans	-59.1	-42	172.4	-90	106.9	0	0	0	112.6	N901 E902 A907 I908 N909	N901-W905 WeakPolarHBondContact O-CB 3.23Å; N901-W905 PolarHBondContact O-N 3.27Å; E902-W905 PolarHBondContact O-N 2.98Å; W905-A907 VanDerWaalsContact C-N 3.28Å; W905-A907 PolarHBondContact O-N 3.38Å; W905-I908 PolarHBondContact O-N 2.96Å; W905-N909 WeakPolarHBondContact O-CB 3.26Å; W905-N909 PolarHBondContact O-N 2.83Å; W905-N909 PolarHBondContact O-ND2 2.98Å
906	A	84.3	Confident	78.7	Confident	40 Å²	40	103.1 Å²	103.1	33%	0.331	50%	0.496	S	S	.	.	H	α-helix	trans	-67.2	-26	174.6	0	0	0	0	0	112.9	E902 R903 L904 R910	E902-A906 VanDerWaalsContact O-CB 3.29Å; E902-A906 WeakPolarHBondContact O-CB 3.16Å; E902-A906 PolarHBondContact O-N 3.31Å; R903-A906 CarbonylContact O-C 3.53Å; R903-A906 PolarHBondContact O-N 2.81Å; L904-A906 VanDerWaalsContact C-N 3.33Å; L904-A906 PolarHBondContact O-N 3.2Å; A906-R910 WeakPolarHBondContact O-CG 3.38Å; A906-R910 PolarHBondContact O-N 3.11Å; A906-R910 PolarHBondContact O-NE 3.01Å; A906-R910 PolarHBondContact O-NH2 2.87Å
907	A	80.5	Confident	77.1	Confident	50 Å²	50	104.3 Å²	104.3	41%	0.413	50%	0.502	S	S	.	.	H	α-helix	trans	-75.4	-47.1	172.3	0	0	0	0	0	111.4	R903 L904 W905 N909 R910 S911	R903-A907 PolarHBondContact O-N 3.45Å; L904-A907 WeakPolarHBondContact O-CA 3.29Å; L904-A907 WeakPolarHBondContact O-CB 3.26Å; L904-A907 PolarHBondContact O-N 3.25Å; W905-A907 VanDerWaalsContact C-N 3.28Å; W905-A907 PolarHBondContact O-N 3.38Å; A907-N909 PolarHBondContact O-N 3.09Å; A907-R910 PolarHBondContact O-N 2.93Å; A907-R910 VanDerWaalsContact O-N 3.08Å; A907-S911 PolarHBondContact O-N 3.37Å
908	I	81.1	Confident	75.7	Confident	90 Å²	90	107.4 Å²	107.4	46%	0.462	51%	0.509	S	S	.	.	H	α-helix	trans	-58.7	-45.3	176.6	-67.6	163.7	0	0	0	111.1	L904 W905 R910 S911 T912	L904-I908 WeakPolarHBondContact O-CG1 3.44Å; L904-I908 PolarHBondContact O-N 2.86Å; W905-I908 PolarHBondContact O-N 2.96Å; I908-R910 VanDerWaalsContact C-N 3.29Å; I908-R910 PolarHBondContact O-N 2.94Å; I908-S911 PolarHBondContact O-N 3.15Å; I908-T912 PolarHBondContact O-N 3.44Å; I908-T912 PolarHBondContact O-OG1 3.29Å
909	N	78	Confident	74.2	Confident	83 Å²	83	107.7 Å²	107.7	44%	0.444	51%	0.514	S	S	.	.	H	α-helix	trans	-64	-31.6	176.3	-76.1	-27.1	0	0	0	112.7	W905 A907 T912 L913	W905-N909 WeakPolarHBondContact O-CB 3.26Å; W905-N909 PolarHBondContact O-N 2.83Å; W905-N909 PolarHBondContact O-ND2 2.98Å; A907-N909 PolarHBondContact O-N 3.09Å; N909-T912 PolarHBondContact O-OG1 2.92Å; N909-L913 WeakPolarHBondContact O-CB 3.47Å; N909-L913 WeakPolarHBondContact O-CD1 3.21Å; N909-L913 VanDerWaalsContact O-CG 3.25Å; N909-L913 WeakPolarHBondContact O-CG 3.38Å; N909-L913 PolarHBondContact O-N 3.12Å
910	R	76.4	Confident	72.5	Confident	153 Å²	153	111.6 Å²	111.6	58%	0.577	53%	0.525	S	S	*	.	H	α-helix	trans	-74.6	-36.6	173.1	-81.8	176	-73.9	-165.3	-0.8	112.6	A906 A907 I908 L913 Q914	A906-R910 WeakPolarHBondContact O-CG 3.38Å; A906-R910 PolarHBondContact O-N 3.11Å; A906-R910 PolarHBondContact O-NE 3.01Å; A906-R910 PolarHBondContact O-NH2 2.87Å; A907-R910 PolarHBondContact O-N 2.93Å; A907-R910 VanDerWaalsContact O-N 3.08Å; I908-R910 VanDerWaalsContact C-N 3.29Å; I908-R910 PolarHBondContact O-N 2.94Å; R910-L913 PolarHBondContact O-N 3.21Å; R910-Q914 WeakPolarHBondContact O-CG 3.26Å; R910-Q914 PolarHBondContact O-N 3.41Å; R910-Q914 VanDerWaalsContact O-N 3.07Å
911	S	71.6	Confident	70.7	Confident	62 Å²	62	113.9 Å²	113.9	43%	0.434	54%	0.54	S	S	.	.	H	α-helix	trans	-62.7	-50.3	174.2	-166	0	0	0	0	111.3	A907 I908 L913 Q914 E915	A907-S911 PolarHBondContact O-N 3.37Å; I908-S911 PolarHBondContact O-N 3.15Å; S911-L913 VanDerWaalsContact C-N 3.27Å; S911-L913 PolarHBondContact O-N 2.71Å; S911-Q914 WeakPolarHBondContact O-CB 3.45Å; S911-Q914 PolarHBondContact O-N 3.22Å; S911-E915 PolarHBondContact O-N 2.65Å
912	T	72.1	Confident	69.1	Low	51 Å²	51	113 Å²	113	31%	0.313	55%	0.551	S	S	.	*	H	α-helix	trans	-68.8	-21.4	-179.9	52	0	0	0	0	113.9	I908 N909 K916	I908-T912 PolarHBondContact O-N 3.44Å; I908-T912 PolarHBondContact O-OG1 3.29Å; N909-T912 PolarHBondContact O-OG1 2.92Å; T912-K916 VanDerWaalsContact O-CG 3.31Å; T912-K916 WeakPolarHBondContact O-CG 3.37Å; T912-K916 PolarHBondContact O-N 2.78Å
913	L	66.3	Low	67	Low	107 Å²	107	113.7 Å²	113.7	56%	0.56	56%	0.558	S	S	*	*	H	α-helix	trans	-71.7	-44.9	165.9	-79.4	167.3	0	0	0	111.8	N909 R910 S911 E915 K916 E917	N909-L913 WeakPolarHBondContact O-CB 3.47Å; N909-L913 WeakPolarHBondContact O-CD1 3.21Å; N909-L913 VanDerWaalsContact O-CG 3.25Å; N909-L913 WeakPolarHBondContact O-CG 3.38Å; N909-L913 PolarHBondContact O-N 3.12Å; R910-L913 PolarHBondContact O-N 3.21Å; S911-L913 VanDerWaalsContact C-N 3.27Å; S911-L913 PolarHBondContact O-N 2.71Å; L913-E915 VanDerWaalsContact C-N 3.32Å; L913-E915 PolarHBondContact O-N 2.76Å; L913-K916 PolarHBondContact O-N 3.44Å; L913-E917 PolarHBondContact O-N 3.44Å
914	Q	62	Low	64.9	Low	115 Å²	115	117.3 Å²	117.3	54%	0.537	57%	0.572	S	S	.	*	H	α-helix	trans	-64.2	-34.2	176.4	-72.7	-175.8	-1.1	0	0	112.8	R910 S911 E917 R918	R910-Q914 WeakPolarHBondContact O-CG 3.26Å; R910-Q914 PolarHBondContact O-N 3.41Å; R910-Q914 VanDerWaalsContact O-N 3.07Å; S911-Q914 WeakPolarHBondContact O-CB 3.45Å; S911-Q914 PolarHBondContact O-N 3.22Å; Q914-E917 PolarHBondContact O-N 3.35Å; Q914-R918 WeakPolarHBondContact O-CG 3.17Å; Q914-R918 PolarHBondContact O-N 3Å
915	E	61.6	Low	62.9	Low	101 Å²	101	123.9 Å²	123.9	47%	0.472	59%	0.59	S	S	.	*	H	α-helix	trans	-64.7	-45.9	172	-70.7	173.6	131.2	0	0	111.3	S911 L913 E917 R918 D919	S911-E915 PolarHBondContact O-N 2.65Å; L913-E915 VanDerWaalsContact C-N 3.32Å; L913-E915 PolarHBondContact O-N 2.76Å; E915-E917 VanDerWaalsContact C-N 3.26Å; E915-E917 PolarHBondContact O-N 3.08Å; E915-R918 WeakPolarHBondContact O-CB 3.44Å; E915-R918 PolarHBondContact O-N 3.12Å; E915-D919 PolarHBondContact O-N 2.7Å
916	K	57.4	Low	60.7	Low	137 Å²	137	121.7 Å²	121.7	60%	0.596	60%	0.6	S	S	*	*	H	α-helix	trans	-64.2	-27.2	175.7	-73.6	171.9	-176.8	172.6	0	113.7	T912 L913 R920	T912-K916 VanDerWaalsContact O-CG 3.31Å; T912-K916 WeakPolarHBondContact O-CG 3.37Å; T912-K916 PolarHBondContact O-N 2.78Å; L913-K916 PolarHBondContact O-N 3.44Å; K916-R920 WeakPolarHBondContact O-CB 3.38Å; K916-R920 WeakPolarHBondContact O-CG 3.24Å; K916-R920 PolarHBondContact O-N 3.38Å
917	E	56.1	Low	58.4	Low	127 Å²	127	128.9 Å²	128.9	59%	0.593	63%	0.627	S	S	*	*	H	α-helix	trans	-76.2	-34.6	170.6	-71.9	-170.5	148.7	0	0	112.9	L913 Q914 E915 N921	L913-E917 PolarHBondContact O-N 3.44Å; Q914-E917 PolarHBondContact O-N 3.35Å; E915-E917 VanDerWaalsContact C-N 3.26Å; E915-E917 PolarHBondContact O-N 3.08Å; E917-N921 PolarHBondContact O-N 3.09Å; E917-N921 VanDerWaalsContact O-N 3.13Å; E917-N921 PolarHBondContact O-ND2 3.36Å
918	R	54.7	Low	56.8	Low	178 Å²	178	132.2 Å²	132.2	67%	0.672	64%	0.644	S	S	*	*	H	α-helix	trans	-64.2	-46.2	171.2	-72.8	172.7	-177.1	-169.8	2.7	111.2	Q914 E915 R920 N921 G922	Q914-R918 WeakPolarHBondContact O-CG 3.17Å; Q914-R918 PolarHBondContact O-N 3Å; E915-R918 WeakPolarHBondContact O-CB 3.44Å; E915-R918 PolarHBondContact O-N 3.12Å; R918-R920 VanDerWaalsContact C-N 3.34Å; R918-R920 PolarHBondContact O-N 2.95Å; R918-N921 PolarHBondContact O-N 3.32Å; R918-N921 VanDerWaalsContact O-N 3.14Å; R918-G922 PolarHBondContact O-N 2.98Å
919	D	55.4	Low	54.4	Low	118 Å²	118	136.7 Å²	136.7	63%	0.631	67%	0.666	S	S	*	*	H	α-helix	trans	-62.7	-39.2	177.3	-72.6	-20	0	0	0	112.4	E915 N921 G922 N923	E915-D919 PolarHBondContact O-N 2.7Å; D919-N921 VanDerWaalsContact C-N 3.32Å; D919-N921 PolarHBondContact O-N 3.06Å; D919-G922 PolarHBondContact O-N 2.88Å; D919-N923 PolarHBondContact O-N 3.19Å
920	R	51.8	Low	52.3	Low	211 Å²	211	137.1 Å²	137.1	80%	0.796	68%	0.675	S	S	*	*	H	α-helix	trans	-64.2	-32.9	174.3	-82.8	-179.1	168.4	-170	-2.7	113.5	K916 R918	K916-R920 WeakPolarHBondContact O-CB 3.38Å; K916-R920 WeakPolarHBondContact O-CG 3.24Å; K916-R920 PolarHBondContact O-N 3.38Å; R918-R920 VanDerWaalsContact C-N 3.34Å; R918-R920 PolarHBondContact O-N 2.95Å
921	N	50.2	Low	50.3	Low	141 Å²	141	135 Å²	135	75%	0.754	68%	0.683	S	S	*	*	H	α-helix	trans	-83.1	-26.8	175.3	-80	-36.9	0	0	0	113.3	E917 R918 D919	E917-N921 PolarHBondContact O-N 3.09Å; E917-N921 VanDerWaalsContact O-N 3.13Å; E917-N921 PolarHBondContact O-ND2 3.36Å; R918-N921 PolarHBondContact O-N 3.32Å; R918-N921 VanDerWaalsContact O-N 3.14Å; D919-N921 VanDerWaalsContact C-N 3.32Å; D919-N921 PolarHBondContact O-N 3.06Å
922	G	50	Low	48.4	Very low	63 Å²	63	141.5 Å²	141.5	65%	0.649	70%	0.704	S	S	*	*	H	α-helix	trans	-66.3	-35.3	174.3	0	0	0	0	0	113.2	R918 D919 R924	R918-G922 PolarHBondContact O-N 2.98Å; D919-G922 PolarHBondContact O-N 2.88Å; G922-R924 PolarHBondContact O-N 2.71Å
923	N	43.8	Very low	46.5	Very low	150 Å²	150	143.3 Å²	143.3	80%	0.802	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	34.6	-170.1	-124.6	-15	0	0	0	115.2	D919	D919-N923 PolarHBondContact O-N 3.19Å
924	R	45.2	Very low	44.8	Very low	225 Å²	225	142.1 Å²	142.1	85%	0.849	75%	0.746	S	S	*	*	S	Bend	trans	-134.1	56.9	176.3	-87.3	-167.3	168.6	-169.4	-1.8	113.6	G922	G922-R924 PolarHBondContact O-N 2.71Å
925	R	41.2	Very low	43.4	Very low	235 Å²	235	142.7 Å²	142.7	89%	0.887	76%	0.763	S	S	*	*	S	Bend	trans	-162.1	152.5	155.4	-108.2	150.4	-165.4	-148.9	1.1	113.3
926	S	35.8	Very low	42	Very low	119 Å²	119	141.3 Å²	141.3	83%	0.832	78%	0.776	S	S	*	*			trans	58.5	97.6	173	41.6	0	0	0	0	118.3
927	E	35	Very low	40.8	Very low	190 Å²	190	145.7 Å²	145.7	89%	0.888	79%	0.789	S	S	*	*			trans	-70.8	163.8	150.1	-69.7	-178.8	130.4	0	0	111.4
928	P	46	Very low	39.7	Very low	121 Å²	121	149.8 Å²	149.8	79%	0.786	80%	0.799	S	S	*	*			trans	-102	155.7	-171.2	38	-34.3	0	0	0	115.1
929	M	30.9	Very low	38.7	Very low	184 Å²	184	146.8 Å²	146.8	91%	0.906	81%	0.805	S	S	*	*			trans	-144.4	116.7	154.9	-90.1	-146.1	165.2	0	0	115.3
930	S	34.1	Very low	37.6	Very low	92 Å²	92	144.3 Å²	144.3	64%	0.643	81%	0.807	S	S	*	*			trans	37.2	97.9	141.7	63.6	0	0	0	0	122.8
931	S	34.1	Very low	36.6	Very low	107 Å²	107	143.2 Å²	143.2	75%	0.748	81%	0.809	S	S	*	*				82.8	155.4	112.9	82.6	0	0	0	0	123.1
932	K	32.6	Very low	36	Very low	200 Å²	200	142.1 Å²	142.1	87%	0.87	81%	0.807	S	S	*	*			trans	74.3	83.3	159.6	-67.7	-175.2	177.8	178.8	0	120.3
933	G	31.2	Very low	35.2	Very low	89 Å²	89	144.5 Å²	144.5	92%	0.918	81%	0.805	S	S	*	*				80.9	157.7	112.6	0	0	0	0	0	119.2
934	G	31.9	Very low	34.8	Very low	81 Å²	81	145.5 Å²	145.5	84%	0.835	81%	0.805	S	S	*	*			trans	144.9	94.1	174.3	0	0	0	0	0	114.9
935	S	32.1	Very low	34.2	Very low	128 Å²	128	138.6 Å²	138.6	90%	0.895	80%	0.804	S	S	*	*			trans	-48	151.3	166.9	52	0	0	0	0	117.1
936	G	32.4	Very low	33.8	Very low	72 Å²	72	131.2 Å²	131.2	74%	0.742	80%	0.801	S	S	*	*			trans	135.7	97.5	153.3	0	0	0	0	0	113.9
937	R	32.8	Very low	33.8	Very low	229 Å²	229	137.5 Å²	137.5	86%	0.864	81%	0.806	S	S	*	*				70.7	120.6	81.5	-91.9	-168.9	169.1	-177.2	-0.8	116.8
938	R	33.2	Very low	33.9	Very low	213 Å²	213	133.8 Å²	133.8	80%	0.804	80%	0.801	S	S	*	*			trans	78.3	126.3	142.3	-82.9	-173.5	167.5	-179.7	-5	120.8
939	S	32.3	Very low	33.5	Very low	114 Å²	114	133 Å²	133	80%	0.797	80%	0.804	S	S	*	*			trans	56.5	138.7	140.5	58	0	0	0	0	120.5
940	G	31.8	Very low	33.8	Very low	67 Å²	67	127.4 Å²	127.4	69%	0.691	79%	0.794	S	S	*	*			cis	146.8	175.4	-2.6	0	0	0	0	0	112.9
941	F	32.6	Very low	34	Very low	188 Å²	188	127.6 Å²	127.6	83%	0.825	80%	0.801	S	S	*	*			trans	63.5	102.6	167.2	-77.3	-87.9	0	0	0	119.8
942	T	36	Very low	34.4	Very low	117 Å²	117	127.6 Å²	127.6	72%	0.718	80%	0.801	S	S	*	*				65	165.3	128	64.3	0	0	0	0	119
943	N	34.2	Very low	34.8	Very low	113 Å²	113	128.5 Å²	128.5	60%	0.604	82%	0.823	S	S	*	*			cis	-153.9	164.4	8.5	-146	-8.8	0	0	0	112.6
944	H	35.5	Very low	35	Very low	172 Å²	172	130.5 Å²	130.5	80%	0.796	82%	0.818	S	S	*	*			trans	61.6	157.5	167.2	-49.3	-53.8	0	0	0	117
945	G	32.1	Very low	35.2	Very low	80 Å²	80	133.1 Å²	133.1	83%	0.825	82%	0.817	S	S	*	*			cis	143.8	110.9	-9	0	0	0	0	0	112.5
946	G	32.2	Very low	35.4	Very low	80 Å²	80	133.3 Å²	133.3	83%	0.825	81%	0.813	S	S	*	*			trans	-169.9	137.5	178.6	0	0	0	0	0	114.1
947	R	36.8	Very low	35.5	Very low	251 Å²	251	136.9 Å²	136.9	95%	0.947	82%	0.817	S	S	*	*			trans	-80.9	162	166.7	-68.7	171.2	168.2	170.1	-6.7	108.3
948	S	36.5	Very low	35.7	Very low	112 Å²	112	131.2 Å²	131.2	78%	0.783	81%	0.814	S	S	*	*			cis	-170.6	174.3	49.9	53.4	0	0	0	0	113.5
949	A	38.7	Very low	35.9	Very low	103 Å²	103	125.7 Å²	125.7	85%	0.851	82%	0.815	S	S	*	*			trans	9.4	148.8	151	0	0	0	0	0	120.6
950	G	35.5	Very low	36.1	Very low	67 Å²	67	126.6 Å²	126.6	69%	0.691	82%	0.816	S	S	*	*			cis	142.7	179.2	14.5	0	0	0	0	0	109.8
951	A	39.2	Very low	36.5	Very low	96 Å²	96	131.2 Å²	131.2	79%	0.793	83%	0.826	S	S	*	*			trans	67	119.3	-167	0	0	0	0	0	112.8
952	S	42.6	Very low	36.8	Very low	107 Å²	107	126.4 Å²	126.4	75%	0.748	83%	0.826	S	S	*	*			cis	84.8	106.4	46.2	78.4	0	0	0	0	114.5
953	V	41.9	Very low	36.8	Very low	219 Å²	219	127.3 Å²	127.3	100%	1.327	84%	0.836	S	S	*	*				-125.1	0	105.9	178.4	0	0	0	0	106.7

Retrieved 953 of 953 residues in 178 ms (Link to these results)

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