A0A3Q0KNB5_SCHMA Loading...

Galectin domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KNB5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,156 aa.

						>A0A3Q0KNB5_SCHMA|A0A3Q0KNB5
MNESFDDQDTEFTYEIPDCLMDGDYIEIHGVCHGKRIVFELLTEEGSTHNVFDKLPLQIILTTDGLVTVISRNPEKVAKQERTVENGIQINKPFELCVHAYKKCYVVKLNGEDVCGQDHLVPLNEAFALSMQGKVDILSLEFKDMYYDEEEMNNNTNMSSAINDSNSIRMDDTQAGFVRVNELRQSSIRRNDPPVMVPTRTGSKLDKQSIKSKDSNLEVTAWKTSNDLSRAYLDVDYKVSTLDRNSAAHSYRNSIDFSHNSDSRISGTLPPVGKSANDVMGSRGNLNANDTSHIKSKTSIFGSRKSATLSNSKIEQRFNEGRSQTDAGDLHHGSYSVLDDEDHIGSQLSATTSTPNLQDKHKKKRFSLLGKSRKSTGSESDVRNDSKKSKGSTPDIRLKDGEGEKKKKGLHLKNPFKRSKTKDQTPSIASDITIARSTKNPVINVAVTERLPKEMSKKPAPEIAAYLHKSNPSTEFDALNLTGRETLSEDTHFPPFDRKYYDGYENIGSPYDTFKRKTLDDSRKSIEISSLSDLHSHGKLKGPAPELAALIHSKHPTSNLEDITIAQGSDSHIRPFTPADQSPRPPRYTREPSSDIANLKLKGTAPEIAAIIHSRTKSPNHEDITLTQSCDPSFGPYSTVDTSGKKPLKPSGSASEIAADIHKNNLADHLPYADYTLTGTNNNDIQGIKHGLKEKVQSSRKSRSLSEYISDSDETESAGSDVYTDNECYLEVGKSQYYFDRKRSLKNYRSKRSTKLEREARRNMGLYKTGSQDSVSSSISSLKPTDRKMTPKYRKRPSAKKEEVSSWLNSSNSPYNPIRVDGNIYPSYTSNVYAAAPIIQKSLIQNYLLKNIIQSIKCDTTMDLPYPLTIGRSALVYGHFKYNSAVRQSCFIRLEFKTSYEEPNECETLYLQLWSDGGLNVLKSQCMNSEIPYSTSNNIQHLTLKDNEVCNNDKQQVNFTLKFISQSFYTVIISNDQFTLILKNQFPKSTNYHLTSIKLEDSTNAELDKLFMPRNLCLPLTLHMKDEFSRANILNLLTKLTADTKRVTIEYVYKPISSSEFVSMQILLNFETGYLIIQEIAKEASNIQYAKEEITYIPEQICKMKFIWYDNSLKVLLNSEESIMYNFEQYYPLQFLSHIRINGDFMLLNAELQLDE
					

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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	32	Very low	40.1	Very low	240 Å²	240	147.8 Å²	147.8	100%	1.182	76%	0.758	S	S	*	*				0	160.4	0	-70.9	177	177.5	0	0	107.6
2	N	27.4	Very low	42.7	Very low	167 Å²	167	140.5 Å²	140.5	89%	0.893	72%	0.717	S	S	*	*			trans	-97.6	116.5	-168.3	-55.6	-2.5	0	0	0	110.2
3	E	30.3	Very low	45.4	Very low	182 Å²	182	135.7 Å²	135.7	85%	0.85	70%	0.698	S	S	*	*			trans	-125.6	124	153.8	-68.1	-158.8	126.6	0	0	108.2
4	S	26.5	Very low	47.7	Very low	111 Å²	111	130 Å²	130	78%	0.776	66%	0.664	S	S	*	*			trans	-89.3	114.2	-176.2	49.3	0	0	0	0	109.9	D6	S4-D6 PolarHBondContact O-N 2.77Å
5	F	30.6	Very low	49.9	Very low	199 Å²	199	128.7 Å²	128.7	87%	0.873	65%	0.654	S	S	*	*			trans	-70.7	96.6	166.6	-75.1	-96.1	0	0	0	108.9
6	D	31.3	Very low	51.6	Low	150 Å²	150	120.9 Å²	120.9	80%	0.802	61%	0.614	S	S	*	*			trans	-144.1	37.3	178.7	-142.2	-2	0	0	0	110.3	S4	S4-D6 PolarHBondContact O-N 2.77Å
7	D	45.5	Very low	52.2	Low	98 Å²	98	118.9 Å²	118.9	52%	0.524	61%	0.612	S	S	.	*			trans	-104.3	123.3	167.7	-84.7	-40.7	0	0	0	108.4	D9 K134	D7-D9 VanDerWaalsContact C-N 3.28Å; D7-D9 PolarHBondContact O-N 2.97Å; D7-K134 WeakPolarHBondContact OD1-CE 3.5Å; D7-K134 IonicContact OD1-NZ 2.67Å; D7-K134 PolarHBondContact OD1-NZ 3.21Å
8	Q	42.9	Very low	53	Low	185 Å²	185	120.4 Å²	120.4	86%	0.864	62%	0.621	S	S	*	*			trans	-75.1	85.7	167.8	-73.3	-171.7	-23.9	0	0	108.7	T10	Q8-T10 PolarHBondContact O-N 2.83Å
9	D	54	Low	54.4	Low	85 Å²	85	115.2 Å²	115.2	46%	0.455	60%	0.596	S	S	.	*			trans	-75.9	121	176.8	-71.5	-35.9	0	0	0	110.4	D7 E11 G133	D7-D9 VanDerWaalsContact C-N 3.28Å; D7-D9 PolarHBondContact O-N 2.97Å; D9-E11 PolarHBondContact O-N 3.06Å; D9-G133 WeakPolarHBondContact OD1-CA 3.33Å
10	T	53.2	Low	55.7	Low	95 Å²	95	109.6 Å²	109.6	58%	0.583	57%	0.567	S	S	*	*			trans	-75.2	101	167.8	40	0	0	0	0	108.7	Q8 G133	Q8-T10 PolarHBondContact O-N 2.83Å; T10-G133 PolarHBondContact OG1-O 3.15Å
11	E	67.6	Low	57	Low	114 Å²	114	109 Å²	109	53%	0.533	56%	0.563	S	S	.	*			trans	-73.1	134.1	165.9	-177.7	157.5	-135.2	0	0	110.4	D9 S130 M131 Q132	D9-E11 PolarHBondContact O-N 3.06Å; E11-S130 PolarHBondContact OE1-OG 2.72Å; E11-M131 WeakPolarHBondContact CA-O 3.33Å; E11-Q132 HydrophobicContact CB-CG 4.29Å; E11-Q132 HydrophobicContact CG-CG 4.06Å; E11-Q132 PolarHBondContact OE1-NE2 3.37Å
12	F	70.8	Confident	59.4	Low	60 Å²	60	100 Å²	100	26%	0.263	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	112.5	177.1	167.3	-95.1	0	0	0	108.4	Y14 L129 S130 M131 I137 L140	F12-Y14 HydrophobicContact CZ-CD2 4.04Å; F12-Y14 HydrophobicContact CZ-CG 4.37Å; F12-L129 HydrophobicContact CE1-CD2 4.47Å; F12-S130 CarbonylContact O-C 3.57Å; F12-S130 WeakPolarHBondContact O-CA 3.22Å; F12-M131 HydrophobicContact CD1-CB 4.37Å; F12-M131 PolarHBondContact N-O 2.79Å; F12-M131 PolarHBondContact O-N 2.8Å; F12-I137 HydrophobicContact CD1-CD1 3.88Å; F12-I137 HydrophobicContact CE1-CD1 4.13Å; F12-I137 HydrophobicContact CG-CD1 4.21Å; F12-L140 HydrophobicContact CE1-CD2 4.06Å; F12-L140 HydrophobicContact CZ-CD2 4.32Å
13	T	77.8	Confident	61.8	Low	78 Å²	78	92.2 Å²	92.2	48%	0.479	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	135.2	176.5	-48.1	0	0	0	0	110.3	A128 L129	T13-A128 HydrophobicContact CG2-CB 4.3Å; T13-L129 CarbonylContact C-O 3.37Å; T13-L129 WeakPolarHBondContact CA-O 3.42Å
14	Y	78.2	Confident	64.3	Low	56 Å²	56	83.8 Å²	83.8	22%	0.22	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	116.9	-175.9	-176.9	-85.5	0	0	0	110	F12 A128 L129 L140 F142	F12-Y14 HydrophobicContact CZ-CD2 4.04Å; F12-Y14 HydrophobicContact CZ-CG 4.37Å; Y14-A128 CarbonylContact O-C 3.43Å; Y14-A128 WeakPolarHBondContact O-CA 3.32Å; Y14-L129 PolarHBondContact N-O 3.27Å; Y14-L129 PolarHBondContact O-N 3.21Å; Y14-L140 HydrophobicContact CD1-CD2 4.33Å; Y14-L140 HydrophobicContact CD2-CD2 4.34Å; Y14-L140 HydrophobicContact CG-CD2 4.16Å; Y14-F142 AromaticContact CD1-CE2 3.83Å; Y14-F142 HydrophobicContact CD1-CE2 3.83Å; Y14-F142 AromaticContact CD1-CZ 3.74Å; Y14-F142 HydrophobicContact CD1-CZ 3.74Å; Y14-F142 HydrophobicContact CE1-CD2 4.31Å; Y14-F142 AromaticContact CE1-CE2 3.34Å; Y14-F142 HydrophobicContact CE1-CE2 3.34Å; Y14-F142 AromaticContact CE1-CZ 3.61Å; Y14-F142 HydrophobicContact CE1-CZ 3.61Å; Y14-F142 AromaticContact CZ-CE2 4Å
15	E	80.4	Confident	67.1	Low	110 Å²	110	80.1 Å²	80.1	51%	0.514	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	132.1	173.9	-64.7	165	176.5	0	0	110	P17 F127	E15-P17 WeakPolarHBondContact O-CD 3.21Å; E15-F127 HydrophobicContact CG-CE1 4.19Å; E15-F127 HydrophobicContact CG-CZ 4.33Å
16	I	77.9	Confident	69.8	Low	4 Å²	4	70.8 Å²	70.8	2%	0.021	37%	0.368	C	S	.	.			trans	-93.4	109.3	176.1	-56.3	176.9	0	0	0	107.4	D18 C19 L20 L41 F127 L129 F142	I16-D18 PolarHBondContact O-N 3.49Å; I16-C19 PolarHBondContact O-N 3.22Å; I16-L20 HydrophobicContact CD1-CD1 4.32Å; I16-L20 HydrophobicContact CD1-CD2 4.13Å; I16-L20 HydrophobicContact CD1-CG 3.96Å; I16-L20 HydrophobicContact CG2-CD2 4.14Å; I16-L20 HydrophobicContact CG2-CG 4.4Å; I16-L41 HydrophobicContact CD1-CD2 3.84Å; I16-F127 WeakPolarHBondContact CB-O 3.2Å; I16-F127 PolarHBondContact N-O 3.46Å; I16-L129 HydrophobicContact CD1-CB 4.32Å; I16-L129 HydrophobicContact CG1-CB 4.39Å; I16-F142 HydrophobicContact CD1-CE1 4.3Å; I16-F142 HydrophobicContact CG1-CE1 4.11Å; I16-F142 HydrophobicContact CG1-CZ 4.29Å; I16-F142 HydrophobicContact CG2-CE1 4.37Å
17	P	60.9	Low	72.6	Confident	87 Å²	87	64.8 Å²	64.8	57%	0.565	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	134.4	179.1	-21.2	33.9	0	0	0	110.8	E15 C19	E15-P17 WeakPolarHBondContact O-CD 3.21Å; P17-C19 PolarHBondContact O-N 3.28Å
18	D	67.5	Low	74.7	Confident	146 Å²	146	60.2 Å²	60.2	78%	0.781	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	15.5	-177.9	-51.3	-43.2	0	0	0	115.5	I16	I16-D18 PolarHBondContact O-N 3.49Å
19	C	79.4	Confident	76.9	Confident	22 Å²	22	53.6 Å²	53.6	15%	0.149	28%	0.279	C	S	.	.			trans	58.6	-175.8	-171.5	-61.9	0	0	0	0	112.9	I16 P17 N124 A126	I16-C19 PolarHBondContact O-N 3.22Å; P17-C19 PolarHBondContact O-N 3.28Å; C19-N124 PolarHBondContact SG-O 2.97Å; C19-A126 WeakPolarHBondContact CA-O 3.31Å; C19-A126 WeakPolarHBondContact CB-O 3.33Å
20	L	80.6	Confident	78.4	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.016	26%	0.258	C	S	.	.			trans	-78.3	138.9	172.9	-70.2	174.4	0	0	0	112	I16 D24 I26 L41 Y105 L123 A126	I16-L20 HydrophobicContact CD1-CD1 4.32Å; I16-L20 HydrophobicContact CD1-CD2 4.13Å; I16-L20 HydrophobicContact CD1-CG 3.96Å; I16-L20 HydrophobicContact CG2-CD2 4.14Å; I16-L20 HydrophobicContact CG2-CG 4.4Å; L20-D24 HydrophobicContact CD2-CB 4.02Å; L20-I26 HydrophobicContact CD1-CD1 4.25Å; L20-I26 HydrophobicContact CD2-CD1 4.11Å; L20-I26 HydrophobicContact CD2-CG1 4.32Å; L20-L41 HydrophobicContact CD1-CD1 3.53Å; L20-L41 HydrophobicContact CD1-CD2 4.14Å; L20-L41 HydrophobicContact CD1-CG 4.46Å; L20-Y105 HydrophobicContact CD1-CE1 4.06Å; L20-L123 HydrophobicContact CB-CD2 4.34Å; L20-L123 CarbonylContact O-C 3.47Å; L20-L123 VanDerWaalsContact O-C 3.24Å; L20-L123 WeakPolarHBondContact O-CB 3.39Å; L20-A126 HydrophobicContact CB-CB 4.39Å; L20-A126 HydrophobicContact CD1-CB 3.98Å; L20-A126 HydrophobicContact CG-CB 4.31Å; L20-A126 PolarHBondContact N-O 3.11Å
21	M	81.5	Confident	80	Confident	96 Å²	96	46.2 Å²	46.2	47%	0.473	24%	0.237	S	C	.	.			trans	-112.2	171.3	173.1	-64.9	-169.4	-71.5	0	0	112.6	G23 D24	M21-G23 PolarHBondContact O-N 3.3Å; M21-D24 WeakPolarHBondContact O-CB 3.46Å; M21-D24 PolarHBondContact O-N 2.97Å
22	D	83.2	Confident	80.8	Confident	53 Å²	53	40.8 Å²	40.8	28%	0.283	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	123.4	173	-172.5	12.7	0	0	0	109.4	K102 Y146	D22-K102 WeakPolarHBondContact OD1-CA 3.38Å; D22-K102 PolarHBondContact OD1-N 3.04Å; D22-K102 VanDerWaalsContact OD2-CB 3.3Å; D22-K102 WeakPolarHBondContact OD2-CB 3.46Å; D22-K102 WeakPolarHBondContact OD2-CD 3.32Å; D22-K102 WeakPolarHBondContact OD2-CG 3.21Å; D22-Y146 VanDerWaalsContact O-CD2 3.27Å; D22-Y146 WeakPolarHBondContact O-CD2 3.39Å
23	G	78.9	Confident	81.5	Confident	3 Å²	3	41.4 Å²	41.4	3%	0.031	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	87	3.2	-173.8	0	0	0	0	0	115.7	M21 A100 M145	M21-G23 PolarHBondContact O-N 3.3Å; G23-A100 PolarHBondContact N-O 3.25Å; G23-M145 VanDerWaalsContact O-CB 3.3Å; G23-M145 WeakPolarHBondContact O-CB 3.12Å; G23-M145 WeakPolarHBondContact O-CG 3.36Å; G23-M145 PolarHBondContact O-N 2.84Å
24	D	82.7	Confident	81.7	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	145.7	170.3	-82.2	31.5	0	0	0	110.7	L20 M21 A100 R184	L20-D24 HydrophobicContact CD2-CB 4.02Å; M21-D24 WeakPolarHBondContact O-CB 3.46Å; M21-D24 PolarHBondContact O-N 2.97Å; D24-A100 HydrophobicContact CB-CB 4.33Å; D24-A100 PolarHBondContact O-N 3.37Å; D24-R184 IonicContact OD1-NH1 3.82Å; D24-R184 IonicContact OD1-NH2 2.75Å; D24-R184 IonicContact OD2-CZ 3.48Å; D24-R184 VanDerWaalsContact OD2-CZ 3.29Å; D24-R184 IonicContact OD2-NH1 2.74Å; D24-R184 PolarHBondContact OD2-NH1 2.77Å; D24-R184 IonicContact OD2-NH2 3.65Å; D24-R184 PolarHBondContact OD2-NH2 3.06Å
25	Y	84.5	Confident	82	Confident	34 Å²	34	43 Å²	43	13%	0.133	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	122.2	-177.6	170.2	-102.7	0	0	0	110.6	E27 C97 V98 H99 F142 K143	Y25-E27 HydrophobicContact CD1-CB 4.32Å; Y25-E27 HydrophobicContact CE1-CB 3.68Å; Y25-E27 HydrophobicContact CE1-CG 4.39Å; Y25-E27 WeakPolarHBondContact CE1-OE2 3.47Å; Y25-C97 HydrophobicContact CE2-CB 3.74Å; Y25-C97 PolarHBondContact OH-SG 2.58Å; Y25-V98 WeakPolarHBondContact CA-O 3.41Å; Y25-H99 HydrophobicContact CD2-CB 4.45Å; Y25-H99 AromaticContact CD2-CD2 3.8Å; Y25-H99 AromaticContact CD2-CE1 3.34Å; Y25-H99 WeakPolarHBondContact CD2-CE1 3.42Å; Y25-H99 AromaticContact CD2-CG 3.61Å; Y25-H99 AromaticContact CD2-ND1 3.32Å; Y25-H99 VanDerWaalsContact CD2-ND1 3.32Å; Y25-H99 WeakPolarHBondContact CD2-ND1 3.29Å; Y25-H99 AromaticContact CD2-NE2 3.67Å; Y25-H99 AromaticContact CE2-CD2 3.85Å; Y25-H99 AromaticContact CE2-CE1 3.36Å; Y25-H99 WeakPolarHBondContact CE2-CE1 3.41Å; Y25-H99 AromaticContact CE2-ND1 3.85Å; Y25-H99 AromaticContact CE2-NE2 3.38Å; Y25-H99 WeakPolarHBondContact CE2-NE2 3.46Å; Y25-F142 CarbonylContact O-C 3.55Å; Y25-F142 VanDerWaalsContact O-CA 3.32Å; Y25-F142 WeakPolarHBondContact O-CA 3.46Å; Y25-K143 WeakPolarHBondContact CB-O 3.41Å; Y25-K143 HydrophobicContact CD1-CB 3.93Å; Y25-K143 HydrophobicContact CD1-CD 3.98Å; Y25-K143 HydrophobicContact CD1-CG 4.07Å; Y25-K143 HydrophobicContact CE1-CD 4.05Å; Y25-K143 PolarHBondContact N-O 2.85Å; Y25-K143 PolarHBondContact O-N 2.85Å
26	I	88	Confident	82.3	Confident	3 Å²	3	43.3 Å²	43.3	2%	0.015	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	124.6	178.3	-44.4	176	0	0	0	108.1	L20 I28 F39 L41 C97 V98 L129 L140 F142	L20-I26 HydrophobicContact CD1-CD1 4.25Å; L20-I26 HydrophobicContact CD2-CD1 4.11Å; L20-I26 HydrophobicContact CD2-CG1 4.32Å; I26-I28 HydrophobicContact CG2-CD1 4.3Å; I26-I28 HydrophobicContact CG2-CG1 4.12Å; I26-F39 HydrophobicContact CD1-CZ 4.24Å; I26-L41 HydrophobicContact CD1-CD2 3.96Å; I26-C97 CarbonylContact O-C 3.56Å; I26-C97 VanDerWaalsContact O-CA 3.27Å; I26-C97 WeakPolarHBondContact O-CA 3.48Å; I26-V98 HydrophobicContact CB-CB 4.35Å; I26-V98 PolarHBondContact N-O 2.77Å; I26-V98 PolarHBondContact O-N 2.87Å; I26-L129 HydrophobicContact CG2-CD1 3.97Å; I26-L140 HydrophobicContact CG2-CD1 3.82Å; I26-F142 HydrophobicContact CD1-CE1 4.21Å; I26-F142 HydrophobicContact CG1-CD1 3.99Å; I26-F142 HydrophobicContact CG1-CE1 3.96Å; I26-F142 HydrophobicContact CG2-CD1 4.37Å; I26-F142 HydrophobicContact CG2-CE1 4.1Å; I26-F142 HydrophobicContact CG2-CZ 4.43Å
27	E	89.5	Confident	82.8	Confident	25 Å²	25	43.3 Å²	43.3	12%	0.117	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121.8	178.4	178.5	179.6	157.3	0	0	110.1	Y25 H29 E141 K143	Y25-E27 HydrophobicContact CD1-CB 4.32Å; Y25-E27 HydrophobicContact CE1-CB 3.68Å; Y25-E27 HydrophobicContact CE1-CG 4.39Å; Y25-E27 WeakPolarHBondContact CE1-OE2 3.47Å; E27-H29 IonicContact OE1-CD2 3.27Å; E27-H29 IonicContact OE1-CE1 2.58Å; E27-H29 IonicContact OE1-NE2 3.83Å; E27-H29 PolarHBondContact OE1-NE2 2.66Å; E27-E141 HydrophobicContact CB-CB 4.45Å; E27-E141 PolarHBondContact N-O 3.04Å; E27-E141 PolarHBondContact O-N 3.41Å; E27-K143 IonicContact OE1-NZ 2.69Å; E27-K143 WeakPolarHBondContact OE2-CE 3.37Å; E27-K143 IonicContact OE2-NZ 2.72Å; E27-K143 PolarHBondContact OE2-NZ 2.89Å
28	I	88.7	Confident	84.2	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	112.5	-174.6	-38.8	-170	0	0	0	109.7	I26 F39 E95 L96 M131 L140	I26-I28 HydrophobicContact CG2-CD1 4.3Å; I26-I28 HydrophobicContact CG2-CG1 4.12Å; I28-F39 HydrophobicContact CD1-CD2 3.58Å; I28-F39 HydrophobicContact CD1-CE2 3.57Å; I28-E95 CarbonylContact O-C 3.48Å; I28-E95 WeakPolarHBondContact O-CA 3.27Å; I28-L96 HydrophobicContact CB-CB 4.39Å; I28-L96 HydrophobicContact CD1-CD2 4.38Å; I28-L96 PolarHBondContact N-O 3.14Å; I28-L96 PolarHBondContact O-N 3Å; I28-M131 HydrophobicContact CD1-SD 3.85Å; I28-M131 HydrophobicContact CG2-CE 4.14Å; I28-M131 HydrophobicContact CG2-SD 4.01Å; I28-L140 HydrophobicContact CD1-CD1 4.03Å; I28-L140 HydrophobicContact CG1-CD1 3.75Å
29	H	89.4	Confident	85.4	Confident	46 Å²	46	32.6 Å²	32.6	21%	0.213	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.9	168.4	-69.6	-97.3	0	0	0	108.9	E27 F94 E95 L138 S139	E27-H29 IonicContact OE1-CD2 3.27Å; E27-H29 IonicContact OE1-CE1 2.58Å; E27-H29 IonicContact OE1-NE2 3.83Å; E27-H29 PolarHBondContact OE1-NE2 2.66Å; H29-F94 WeakPolarHBondContact CA-O 3.41Å; H29-E95 IonicContact CE1-OE2 2.77Å; H29-E95 PolarHBondContact CE1-OE2 2.84Å; H29-L138 HydrophobicContact CB-CB 4.16Å; H29-L138 WeakPolarHBondContact O-CA 3.31Å; H29-L138 WeakPolarHBondContact O-CB 3.46Å; H29-L138 PolarHBondContact O-N 3.18Å; H29-S139 PolarHBondContact N-O 3.14Å; H29-S139 PolarHBondContact O-N 3.13Å; H29-S139 VanDerWaalsContact O-N 3.1Å
30	G	86.6	Confident	86	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	165.7	178.9	0	0	0	0	0	112.9	P93 F94 D136	G30-P93 CarbonylContact O-C 3.58Å; G30-P93 VanDerWaalsContact O-CA 3.23Å; G30-P93 WeakPolarHBondContact O-CA 3.26Å; G30-F94 VanDerWaalsContact C-CE1 3.46Å; G30-F94 PolarHBondContact N-O 3.14Å; G30-F94 VanDerWaalsContact N-O 3.08Å; G30-F94 WeakPolarHBondContact O-CD1 3.48Å; G30-F94 WeakPolarHBondContact O-CE1 3.32Å; G30-F94 PolarHBondContact O-N 3.02Å; G30-D136 CarbonylContact C-O 3.51Å; G30-D136 VanDerWaalsContact CA-O 3.26Å; G30-D136 WeakPolarHBondContact CA-O 3.43Å
31	V	86.1	Confident	86.5	Confident	25 Å²	25	32.3 Å²	32.3	15%	0.152	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.1	171.2	-177.4	0	0	0	0	108.6	V135 D136 L138	V31-V135 WeakPolarHBondContact O-CA 3.39Å; V31-D136 HydrophobicContact CB-CB 4.34Å; V31-D136 PolarHBondContact N-O 3.06Å; V31-D136 PolarHBondContact O-N 3.48Å; V31-L138 HydrophobicContact CG2-CD1 3.86Å; V31-L138 HydrophobicContact CG2-CD2 4.17Å; V31-L138 HydrophobicContact CG2-CG 4.12Å
32	C	85.3	Confident	86.8	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	129	178.2	-172.3	0	0	0	0	110.9	G34 I37 I90 N91 F94	C32-G34 PolarHBondContact SG-O 3.13Å; C32-I37 HydrophobicContact CB-CD1 3.88Å; C32-I90 CarbonylContact O-C 3.52Å; C32-I90 WeakPolarHBondContact O-CA 3.21Å; C32-N91 PolarHBondContact O-N 3.35Å; C32-F94 HydrophobicContact CB-CD1 4.4Å; C32-F94 HydrophobicContact CB-CE1 4.44Å
33	H	84.5	Confident	86.9	Confident	73 Å²	73	26.2 Å²	26.2	34%	0.338	12%	0.12	S	C	.	.			trans	-112.6	-15	171.6	-62.4	-60.3	0	0	0	112.7	N91 K134 D136	H33-N91 PolarHBondContact CE1-OD1 3.13Å; H33-N91 PolarHBondContact ND1-OD1 3.03Å; H33-K134 WeakPolarHBondContact CA-O 3.16Å; H33-K134 HydrophobicContact CB-CB 4.21Å; H33-K134 PolarHBondContact N-O 2.98Å; H33-D136 IonicContact CD2-OD1 3.79Å; H33-D136 IonicContact NE2-OD1 2.73Å; H33-D136 IonicContact NE2-OD2 3.3Å
34	G	82.7	Confident	86.9	Confident	10 Å²	10	32.2 Å²	32.2	10%	0.103	15%	0.148	C	C	.	.	S	Bend	trans	-91.9	-171.9	175.5	0	0	0	0	0	114.4	C32 K134	C32-G34 PolarHBondContact SG-O 3.13Å; G34-K134 PolarHBondContact N-O 2.93Å
35	K	84.3	Confident	86.4	Confident	158 Å²	158	37.1 Å²	37.1	69%	0.687	17%	0.17	S	C	*	.	S	Bend	trans	-90.1	-21.4	169.4	-65.5	177.5	-179.6	173.9	0	113.3	T62 T63	K35-T62 WeakPolarHBondContact O-CA 3.38Å; K35-T63 PolarHBondContact O-N 2.82Å; K35-T63 PolarHBondContact O-OG1 3.39Å
36	R	87.1	Confident	85.5	Confident	117 Å²	117	36 Å²	36	44%	0.442	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	142.7	-171.6	-179.4	177.8	172.7	-161.5	-6	108.6	V38 I60 L61 T62	R36-V38 HydrophobicContact CG-CG2 4.23Å; R36-V38 VanDerWaalsContact NE-CG2 3.3Å; R36-V38 VanDerWaalsContact NH2-CG2 3.32Å; R36-I60 HydrophobicContact CG-CG2 3.93Å; R36-L61 CarbonylContact C-O 3.54Å; R36-L61 VanDerWaalsContact CA-O 3.3Å; R36-L61 WeakPolarHBondContact CA-O 3.3Å; R36-T62 HydrophobicContact CB-CG2 4.03Å; R36-T62 HydrophobicContact CG-CG2 4Å
37	I	88	Confident	84.4	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.015	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	141.7	160.9	-59.7	173.8	0	0	0	106.3	C32 L61 I88 F94 M131 V135	C32-I37 HydrophobicContact CB-CD1 3.88Å; I37-L61 HydrophobicContact CB-CB 4.42Å; I37-L61 PolarHBondContact N-O 2.87Å; I37-L61 PolarHBondContact O-N 3.19Å; I37-I88 HydrophobicContact CD1-CD1 4.24Å; I37-I88 HydrophobicContact CG1-CD1 4.16Å; I37-F94 HydrophobicContact CD1-CD1 4.24Å; I37-F94 HydrophobicContact CD1-CE1 3.38Å; I37-F94 HydrophobicContact CD1-CZ 3.56Å; I37-M131 HydrophobicContact CG2-CE 4.26Å; I37-V135 HydrophobicContact CD1-CB 3.92Å; I37-V135 HydrophobicContact CD1-CG2 3.92Å; I37-V135 HydrophobicContact CG1-CB 4.28Å
38	V	90.8	Very high	82.9	Confident	7 Å²	7	41.6 Å²	41.6	4%	0.042	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.1	167.5	-168.6	0	0	0	0	107.7	R36 E40 Q58 I60 M131 Q132	R36-V38 HydrophobicContact CG-CG2 4.23Å; R36-V38 VanDerWaalsContact NE-CG2 3.3Å; R36-V38 VanDerWaalsContact NH2-CG2 3.32Å; V38-E40 HydrophobicContact CG1-CG 3.92Å; V38-E40 WeakPolarHBondContact CG1-OE1 3.44Å; V38-Q58 HydrophobicContact CG1-CG 4.09Å; V38-I60 HydrophobicContact CG1-CG1 4.2Å; V38-I60 HydrophobicContact CG2-CG1 4.44Å; V38-M131 CarbonylContact O-C 3.58Å; V38-M131 VanDerWaalsContact O-CA 3.28Å; V38-M131 WeakPolarHBondContact O-CA 3.35Å; V38-Q132 HydrophobicContact CB-CB 4.27Å; V38-Q132 PolarHBondContact N-O 3.28Å; V38-Q132 PolarHBondContact O-N 2.9Å
39	F	91.3	Very high	81.2	Confident	1 Å²	1	47.3 Å²	47.3	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.3	171	160.8	-82.7	0	0	0	107.4	I26 I28 L41 L57 Q58 I59 L96 V98 L129 S130 M131	I26-F39 HydrophobicContact CD1-CZ 4.24Å; I28-F39 HydrophobicContact CD1-CD2 3.58Å; I28-F39 HydrophobicContact CD1-CE2 3.57Å; F39-L41 HydrophobicContact CE1-CD2 4.44Å; F39-L41 HydrophobicContact CE1-CG 4.01Å; F39-L41 HydrophobicContact CZ-CD2 3.9Å; F39-L41 HydrophobicContact CZ-CG 3.98Å; F39-L57 HydrophobicContact CE1-CD2 4.4Å; F39-Q58 CarbonylContact O-C 3.5Å; F39-Q58 VanDerWaalsContact O-CA 3.28Å; F39-Q58 WeakPolarHBondContact O-CA 3.46Å; F39-I59 HydrophobicContact CB-CB 4.32Å; F39-I59 HydrophobicContact CD1-CB 3.92Å; F39-I59 HydrophobicContact CD1-CD1 3.64Å; F39-I59 HydrophobicContact CD1-CG1 3.79Å; F39-I59 HydrophobicContact CE1-CD1 3.8Å; F39-I59 HydrophobicContact CE1-CG1 4.27Å; F39-I59 PolarHBondContact N-O 2.91Å; F39-I59 PolarHBondContact O-N 2.98Å; F39-L96 HydrophobicContact CB-CD2 4.23Å; F39-L96 HydrophobicContact CD2-CD2 4.37Å; F39-L96 HydrophobicContact CG-CD2 4.16Å; F39-V98 HydrophobicContact CE1-CG2 4.36Å; F39-V98 HydrophobicContact CZ-CG2 4.39Å; F39-L129 HydrophobicContact CD2-CD2 4.23Å; F39-L129 HydrophobicContact CD2-CG 4.2Å; F39-L129 HydrophobicContact CE2-CD1 3.74Å; F39-L129 HydrophobicContact CE2-CD2 4.08Å; F39-L129 HydrophobicContact CE2-CG 3.59Å; F39-L129 HydrophobicContact CZ-CD1 4.48Å; F39-L129 HydrophobicContact CZ-CG 4.34Å; F39-S130 CarbonylContact C-O 3.56Å; F39-S130 WeakPolarHBondContact CA-O 3.35Å; F39-M131 HydrophobicContact CB-CG 4.43Å; F39-M131 HydrophobicContact CD2-CG 4.1Å
40	E	91.5	Very high	79.5	Confident	19 Å²	19	52 Å²	52	9%	0.089	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	138.1	-178.3	-62.9	-171.4	-172.7	0	0	110.9	V38 L42 L55 L57 Q58 L129 S130	V38-E40 HydrophobicContact CG1-CG 3.92Å; V38-E40 WeakPolarHBondContact CG1-OE1 3.44Å; E40-L42 HydrophobicContact CB-CD2 4.1Å; E40-L42 HydrophobicContact CB-CG 4.48Å; E40-L55 HydrophobicContact CB-CD1 4.37Å; E40-L57 CarbonylContact C-O 3.5Å; E40-L57 WeakPolarHBondContact CA-O 3.3Å; E40-Q58 HydrophobicContact CG-CB 4.02Å; E40-Q58 HydrophobicContact CG-CG 3.9Å; E40-Q58 PolarHBondContact OE1-NE2 3.49Å; E40-L129 CarbonylContact O-C 3.49Å; E40-L129 VanDerWaalsContact O-CA 3.29Å; E40-L129 WeakPolarHBondContact O-CA 3.41Å; E40-S130 PolarHBondContact N-O 3.03Å; E40-S130 PolarHBondContact O-N 2.86Å
41	L	91.1	Very high	77.9	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	118.6	162.6	-66.7	178.2	0	0	0	107.6	I16 L20 I26 F39 P56 L57 Y105 A128 L129	I16-L41 HydrophobicContact CD1-CD2 3.84Å; L20-L41 HydrophobicContact CD1-CD1 3.53Å; L20-L41 HydrophobicContact CD1-CD2 4.14Å; L20-L41 HydrophobicContact CD1-CG 4.46Å; I26-L41 HydrophobicContact CD1-CD2 3.96Å; F39-L41 HydrophobicContact CE1-CD2 4.44Å; F39-L41 HydrophobicContact CE1-CG 4.01Å; F39-L41 HydrophobicContact CZ-CD2 3.9Å; F39-L41 HydrophobicContact CZ-CG 3.98Å; L41-P56 HydrophobicContact CB-CB 4.01Å; L41-P56 WeakPolarHBondContact O-CD 3.47Å; L41-L57 HydrophobicContact CB-CB 4.1Å; L41-L57 HydrophobicContact CD1-CB 3.83Å; L41-L57 HydrophobicContact CD1-CD2 4.21Å; L41-L57 HydrophobicContact CG-CB 4.14Å; L41-L57 PolarHBondContact N-O 3.38Å; L41-Y105 HydrophobicContact CD1-CD1 4.47Å; L41-Y105 HydrophobicContact CD1-CE1 3.79Å; L41-A128 CarbonylContact C-O 3.52Å; L41-A128 WeakPolarHBondContact CA-O 3.48Å; L41-L129 HydrophobicContact CD2-CB 4.33Å
42	L	88.6	Confident	76.7	Confident	16 Å²	16	59.8 Å²	59.8	8%	0.084	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	152.4	-175.2	-57.7	177.5	0	0	0	110.9	E40 L55 F127 A128	E40-L42 HydrophobicContact CB-CD2 4.1Å; E40-L42 HydrophobicContact CB-CG 4.48Å; L42-L55 HydrophobicContact CD2-CD1 4.06Å; L42-F127 PolarHBondContact O-N 3.32Å; L42-A128 HydrophobicContact CB-CB 4.39Å; L42-A128 PolarHBondContact N-O 3.09Å; L42-A128 PolarHBondContact O-N 3.14Å
43	T	85.9	Confident	76.1	Confident	5 Å²	5	64.8 Å²	64.8	3%	0.031	33%	0.326	C	S	.	.			trans	-84.4	164.8	166.4	64.7	0	0	0	0	111.1	E45 G46 S47 K54 P56 V121 E125	T43-E45 VanDerWaalsContact C-N 3.27Å; T43-E45 PolarHBondContact O-N 3.3Å; T43-G46 CarbonylContact O-C 3.57Å; T43-G46 PolarHBondContact O-N 2.84Å; T43-G46 VanDerWaalsContact O-N 3.09Å; T43-G46 PolarHBondContact OG1-N 3.13Å; T43-G46 VanDerWaalsContact OG1-N 3.07Å; T43-S47 WeakPolarHBondContact O-CB 3.22Å; T43-S47 PolarHBondContact O-N 2.67Å; T43-S47 PolarHBondContact O-OG 3.29Å; T43-K54 HydrophobicContact CG2-CB 3.84Å; T43-K54 HydrophobicContact CG2-CD 4Å; T43-P56 HydrophobicContact CG2-CG 3.89Å; T43-V121 HydrophobicContact CG2-CG1 4.02Å; T43-E125 VanDerWaalsContact CA-O 3.26Å; T43-E125 WeakPolarHBondContact CA-O 3.23Å; T43-E125 WeakPolarHBondContact CB-O 3.45Å; T43-E125 HydrophobicContact CG2-CB 4.31Å; T43-E125 WeakPolarHBondContact CG2-O 3.38Å
44	E	79.3	Confident	76	Confident	130 Å²	130	63.9 Å²	63.9	61%	0.607	32%	0.321	S	S	*	.	H	α-helix	trans	-53.9	-45.9	173	-173.6	175.9	-163.1	0	0	111	G46 S47 T48 F127	E44-G46 PolarHBondContact O-N 3.4Å; E44-S47 PolarHBondContact O-N 2.76Å; E44-S47 PolarHBondContact O-OG 2.91Å; E44-T48 PolarHBondContact O-N 3.08Å; E44-T48 PolarHBondContact O-OG1 3.06Å; E44-F127 HydrophobicContact CB-CB 4.21Å; E44-F127 HydrophobicContact CB-CD1 4.31Å; E44-F127 HydrophobicContact CB-CG 4.12Å
45	E	70.8	Confident	76.2	Confident	106 Å²	106	63.4 Å²	63.4	50%	0.495	32%	0.316	S	S	.	.	H	α-helix	trans	-55.8	-50.7	171.8	-60.3	163.4	143.3	0	0	111.8	T43 S47 T48 H49 K54	T43-E45 VanDerWaalsContact C-N 3.27Å; T43-E45 PolarHBondContact O-N 3.3Å; E45-S47 VanDerWaalsContact C-N 3.28Å; E45-S47 PolarHBondContact O-N 2.93Å; E45-T48 PolarHBondContact O-N 3.18Å; E45-T48 PolarHBondContact O-OG1 3.34Å; E45-T48 VanDerWaalsContact O-OG1 3.13Å; E45-H49 WeakPolarHBondContact O-CB 3.34Å; E45-H49 PolarHBondContact O-N 2.85Å; E45-K54 IonicContact OE1-NZ 3.73Å; E45-K54 WeakPolarHBondContact OE2-CD 3.26Å; E45-K54 VanDerWaalsContact OE2-CE 3.23Å; E45-K54 WeakPolarHBondContact OE2-CE 3.48Å; E45-K54 IonicContact OE2-NZ 2.87Å; E45-K54 PolarHBondContact OE2-NZ 2.92Å
46	G	67	Low	76.4	Confident	12 Å²	12	55.9 Å²	55.9	12%	0.124	28%	0.284	C	S	.	.	H	α-helix	trans	-75.9	-9.1	-178.3	0	0	0	0	0	115.3	T43 E44	T43-G46 CarbonylContact O-C 3.57Å; T43-G46 PolarHBondContact O-N 2.84Å; T43-G46 VanDerWaalsContact O-N 3.09Å; T43-G46 PolarHBondContact OG1-N 3.13Å; T43-G46 VanDerWaalsContact OG1-N 3.07Å; E44-G46 PolarHBondContact O-N 3.4Å
47	S	63.9	Low	76.7	Confident	46 Å²	46	50.3 Å²	50.3	32%	0.322	26%	0.263	S	S	.	.	H	α-helix	trans	-94.4	-20.9	173.6	70.7	0	0	0	0	113.1	T43 E44 E45	T43-S47 WeakPolarHBondContact O-CB 3.22Å; T43-S47 PolarHBondContact O-N 2.67Å; T43-S47 PolarHBondContact O-OG 3.29Å; E44-S47 PolarHBondContact O-N 2.76Å; E44-S47 PolarHBondContact O-OG 2.91Å; E45-S47 VanDerWaalsContact C-N 3.28Å; E45-S47 PolarHBondContact O-N 2.93Å
48	T	58	Low	76.9	Confident	98 Å²	98	51.5 Å²	51.5	60%	0.601	27%	0.268	S	S	*	.	H	α-helix	trans	-102.2	-36.4	179.7	51.3	0	0	0	0	112.2	E44 E45	E44-T48 PolarHBondContact O-N 3.08Å; E44-T48 PolarHBondContact O-OG1 3.06Å; E45-T48 PolarHBondContact O-N 3.18Å; E45-T48 PolarHBondContact O-OG1 3.34Å; E45-T48 VanDerWaalsContact O-OG1 3.13Å
49	H	52.9	Low	77	Confident	121 Å²	121	51.1 Å²	51.1	56%	0.56	27%	0.266	S	S	*	.	S	Bend	trans	-118.8	139.1	-178.9	-62	68.9	0	0	0	109.8	E45 V51	E45-H49 WeakPolarHBondContact O-CB 3.34Å; E45-H49 PolarHBondContact O-N 2.85Å; H49-V51 HydrophobicContact CB-CB 4.3Å; H49-V51 HydrophobicContact CB-CG2 4.04Å; H49-V51 PolarHBondContact O-N 3.41Å
50	N	53.8	Low	77	Confident	146 Å²	146	52.3 Å²	52.3	78%	0.781	27%	0.272	S	S	*	.			trans	-72.3	33.8	172.9	-74.3	-57.7	0	0	0	113
51	V	53.4	Low	77	Confident	83 Å²	83	51.4 Å²	51.4	50%	0.503	27%	0.268	S	S	.	.			trans	-97.7	97.8	-178.7	177.1	0	0	0	0	107.9	H49 D53	H49-V51 HydrophobicContact CB-CB 4.3Å; H49-V51 HydrophobicContact CB-CG2 4.04Å; H49-V51 PolarHBondContact O-N 3.41Å; V51-D53 HydrophobicContact CG1-CB 4.44Å; V51-D53 PolarHBondContact O-N 2.81Å
52	F	61.2	Low	77	Confident	105 Å²	105	52.8 Å²	52.8	46%	0.461	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	32.6	-166.7	-76.8	-55.7	0	0	0	114.5	R72	F52-R72 VanDerWaalsContact CD1-NH2 3.27Å; F52-R72 PolarHBondContact O-NE 3.11Å; F52-R72 PolarHBondContact O-NH2 3.03Å
53	D	72	Confident	76.8	Confident	105 Å²	105	54.5 Å²	54.5	56%	0.561	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-21.7	-171.3	-65.8	-14.3	0	0	0	113.5	V51 N73 P74	V51-D53 HydrophobicContact CG1-CB 4.44Å; V51-D53 PolarHBondContact O-N 2.81Å; D53-N73 CarbonylContact O-C 3.49Å; D53-N73 WeakPolarHBondContact O-CA 3.39Å; D53-P74 HydrophobicContact CB-CG 4.43Å; D53-P74 WeakPolarHBondContact O-CD 3.46Å
54	K	81.9	Confident	76.7	Confident	54 Å²	54	59.9 Å²	59.9	24%	0.235	32%	0.316	C	S	.	.			trans	-117.1	149.2	169.6	-62.8	179.6	-170.1	166.8	0	110.5	T43 E45 V121 E125	T43-K54 HydrophobicContact CG2-CB 3.84Å; T43-K54 HydrophobicContact CG2-CD 4Å; E45-K54 IonicContact OE1-NZ 3.73Å; E45-K54 WeakPolarHBondContact OE2-CD 3.26Å; E45-K54 VanDerWaalsContact OE2-CE 3.23Å; E45-K54 WeakPolarHBondContact OE2-CE 3.48Å; E45-K54 IonicContact OE2-NZ 2.87Å; E45-K54 PolarHBondContact OE2-NZ 2.92Å; K54-V121 HydrophobicContact CB-CG2 4.2Å; K54-E125 WeakPolarHBondContact CD-OE2 3.17Å; K54-E125 WeakPolarHBondContact CE-OE2 3.41Å; K54-E125 IonicContact NZ-OE2 2.94Å; K54-E125 PolarHBondContact NZ-OE2 2.86Å
55	L	87.5	Confident	76.8	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	96.1	169.9	-173.3	65.6	0	0	0	108.5	E40 L42 L57 Q58 I70 S71 R72	E40-L55 HydrophobicContact CB-CD1 4.37Å; L42-L55 HydrophobicContact CD2-CD1 4.06Å; L55-L57 VanDerWaalsContact C-N 3.29Å; L55-L57 PolarHBondContact O-N 3.07Å; L55-Q58 HydrophobicContact CD2-CB 3.66Å; L55-Q58 HydrophobicContact CG-CB 4.25Å; L55-I70 HydrophobicContact CD2-CG2 4.32Å; L55-S71 WeakPolarHBondContact O-CA 3.39Å; L55-S71 PolarHBondContact O-OG 3.03Å; L55-R72 HydrophobicContact CB-CG 3.74Å; L55-R72 PolarHBondContact N-O 2.94Å; L55-R72 PolarHBondContact O-N 3.36Å
56	P	88.9	Confident	77.7	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-46.4	-49.9	176.3	-28.2	27	0	0	0	113.6	L41 T43 S71 V121 A126	L41-P56 HydrophobicContact CB-CB 4.01Å; L41-P56 WeakPolarHBondContact O-CD 3.47Å; T43-P56 HydrophobicContact CG2-CG 3.89Å; P56-S71 WeakPolarHBondContact O-CB 3.45Å; P56-S71 PolarHBondContact O-OG 3.23Å; P56-V121 HydrophobicContact CB-CB 4.27Å; P56-V121 HydrophobicContact CG-CB 4.04Å; P56-V121 HydrophobicContact CG-CG1 3.91Å; P56-V121 HydrophobicContact CG-CG2 4.48Å; P56-A126 HydrophobicContact CB-CB 3.98Å; P56-A126 HydrophobicContact CG-CB 3.94Å
57	L	92.4	Very high	78.8	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	146.4	176.9	-161.8	64	0	0	0	111.1	F39 E40 L41 L55 I59 V69 I70 V98 Y105 V107 Q117	F39-L57 HydrophobicContact CE1-CD2 4.4Å; E40-L57 CarbonylContact C-O 3.5Å; E40-L57 WeakPolarHBondContact CA-O 3.3Å; L41-L57 HydrophobicContact CB-CB 4.1Å; L41-L57 HydrophobicContact CD1-CB 3.83Å; L41-L57 HydrophobicContact CD1-CD2 4.21Å; L41-L57 HydrophobicContact CG-CB 4.14Å; L41-L57 PolarHBondContact N-O 3.38Å; L55-L57 VanDerWaalsContact C-N 3.29Å; L55-L57 PolarHBondContact O-N 3.07Å; L57-I59 HydrophobicContact CD2-CD1 4Å; L57-I59 HydrophobicContact CD2-CG1 4.19Å; L57-I59 HydrophobicContact CG-CG1 4.22Å; L57-V69 HydrophobicContact CD1-CG1 3.56Å; L57-V69 HydrophobicContact CG-CG1 4.39Å; L57-I70 CarbonylContact C-O 3.36Å; L57-I70 WeakPolarHBondContact CA-O 3.42Å; L57-V98 HydrophobicContact CD2-CG1 3.92Å; L57-Y105 HydrophobicContact CB-CD2 4.34Å; L57-Y105 HydrophobicContact CB-CE2 4.18Å; L57-Y105 HydrophobicContact CD1-CD2 3.85Å; L57-Y105 HydrophobicContact CD1-CE2 4.42Å; L57-Y105 HydrophobicContact CD1-CG 4.34Å; L57-Y105 HydrophobicContact CD2-CD1 4.17Å; L57-Y105 HydrophobicContact CD2-CD2 4.05Å; L57-Y105 HydrophobicContact CD2-CG 3.82Å; L57-Y105 HydrophobicContact CG-CD2 4.32Å; L57-V107 HydrophobicContact CD2-CG2 4.38Å; L57-Q117 HydrophobicContact CD1-CB 4.19Å; L57-Q117 HydrophobicContact CD1-CG 3.79Å
58	Q	92.8	Very high	80.1	Confident	27 Å²	27	49.6 Å²	49.6	13%	0.126	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	134.9	164.1	167.3	-173.1	72.3	0	0	108.2	V38 F39 E40 L55 I60 V69 I70	V38-Q58 HydrophobicContact CG1-CG 4.09Å; F39-Q58 CarbonylContact O-C 3.5Å; F39-Q58 VanDerWaalsContact O-CA 3.28Å; F39-Q58 WeakPolarHBondContact O-CA 3.46Å; E40-Q58 HydrophobicContact CG-CB 4.02Å; E40-Q58 HydrophobicContact CG-CG 3.9Å; E40-Q58 PolarHBondContact OE1-NE2 3.49Å; L55-Q58 HydrophobicContact CD2-CB 3.66Å; L55-Q58 HydrophobicContact CG-CB 4.25Å; Q58-I60 HydrophobicContact CG-CG1 4.14Å; Q58-V69 CarbonylContact O-C 3.58Å; Q58-V69 VanDerWaalsContact O-CA 3.28Å; Q58-V69 WeakPolarHBondContact O-CA 3.46Å; Q58-I70 HydrophobicContact CB-CB 4.28Å; Q58-I70 PolarHBondContact N-O 2.77Å; Q58-I70 PolarHBondContact O-N 2.98Å
59	I	92.8	Very high	81.7	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	115	176.9	-54.6	172.4	0	0	0	107.2	F39 L57 L61 V67 T68 V69 L96 V98 V107	F39-I59 HydrophobicContact CB-CB 4.32Å; F39-I59 HydrophobicContact CD1-CB 3.92Å; F39-I59 HydrophobicContact CD1-CD1 3.64Å; F39-I59 HydrophobicContact CD1-CG1 3.79Å; F39-I59 HydrophobicContact CE1-CD1 3.8Å; F39-I59 HydrophobicContact CE1-CG1 4.27Å; F39-I59 PolarHBondContact N-O 2.91Å; F39-I59 PolarHBondContact O-N 2.98Å; L57-I59 HydrophobicContact CD2-CD1 4Å; L57-I59 HydrophobicContact CD2-CG1 4.19Å; L57-I59 HydrophobicContact CG-CG1 4.22Å; I59-L61 HydrophobicContact CG2-CD2 3.77Å; I59-L61 HydrophobicContact CG2-CG 4.2Å; I59-V67 HydrophobicContact CG2-CG1 4.09Å; I59-T68 WeakPolarHBondContact CA-O 3.12Å; I59-V69 HydrophobicContact CG1-CG1 4.38Å; I59-V69 HydrophobicContact CG1-CG2 4.19Å; I59-V69 HydrophobicContact CG2-CG2 4.28Å; I59-L96 HydrophobicContact CD1-CD1 4.27Å; I59-L96 HydrophobicContact CD1-CD2 4.41Å; I59-L96 HydrophobicContact CG2-CD1 4.33Å; I59-V98 HydrophobicContact CD1-CG2 3.68Å; I59-V107 HydrophobicContact CD1-CB 4.44Å; I59-V107 HydrophobicContact CD1-CG1 3.78Å; I59-V107 HydrophobicContact CD1-CG2 3.73Å; I59-V107 HydrophobicContact CG1-CG2 4.4Å
60	I	92.4	Very high	83.6	Confident	25 Å²	25	40.5 Å²	40.5	13%	0.128	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	123.3	173	-55.7	167.9	0	0	0	107.6	R36 V38 Q58 T62 V67 T68 I70	R36-I60 HydrophobicContact CG-CG2 3.93Å; V38-I60 HydrophobicContact CG1-CG1 4.2Å; V38-I60 HydrophobicContact CG2-CG1 4.44Å; Q58-I60 HydrophobicContact CG-CG1 4.14Å; I60-T62 HydrophobicContact CG2-CG2 4.35Å; I60-V67 WeakPolarHBondContact O-CA 3.07Å; I60-T68 PolarHBondContact N-O 3.43Å; I60-T68 PolarHBondContact O-N 3.43Å; I60-I70 HydrophobicContact CD1-CD1 4.49Å
61	L	91.2	Very high	85.4	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.9	176	-55.1	178.3	0	0	0	108.7	R36 I37 I59 V67 I88 F94 L96 L109	R36-L61 CarbonylContact C-O 3.54Å; R36-L61 VanDerWaalsContact CA-O 3.3Å; R36-L61 WeakPolarHBondContact CA-O 3.3Å; I37-L61 HydrophobicContact CB-CB 4.42Å; I37-L61 PolarHBondContact N-O 2.87Å; I37-L61 PolarHBondContact O-N 3.19Å; I59-L61 HydrophobicContact CG2-CD2 3.77Å; I59-L61 HydrophobicContact CG2-CG 4.2Å; L61-V67 HydrophobicContact CD2-CB 4.32Å; L61-V67 HydrophobicContact CD2-CG1 3.76Å; L61-V67 HydrophobicContact CD2-CG2 3.75Å; L61-I88 HydrophobicContact CB-CD1 3.75Å; L61-I88 HydrophobicContact CB-CG1 4.1Å; L61-I88 HydrophobicContact CB-CG2 3.98Å; L61-I88 HydrophobicContact CD1-CG2 3.81Å; L61-I88 HydrophobicContact CG-CG2 4.46Å; L61-I88 WeakPolarHBondContact O-CD1 3.29Å; L61-F94 HydrophobicContact CD1-CE2 4.42Å; L61-L96 HydrophobicContact CD1-CD1 4.49Å; L61-L96 HydrophobicContact CD1-CD2 4.25Å; L61-L109 HydrophobicContact CD1-CD1 4.02Å; L61-L109 HydrophobicContact CD2-CD1 4.22Å; L61-L109 HydrophobicContact CD2-CD2 4.08Å
62	T	89.7	Confident	87.1	Confident	29 Å²	29	32.4 Å²	32.4	18%	0.178	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	153.5	176.2	45.1	0	0	0	0	113.3	K35 R36 I60 D64 G65 L66 I88	K35-T62 WeakPolarHBondContact O-CA 3.38Å; R36-T62 HydrophobicContact CB-CG2 4.03Å; R36-T62 HydrophobicContact CG-CG2 4Å; I60-T62 HydrophobicContact CG2-CG2 4.35Å; T62-D64 WeakPolarHBondContact CB-OD1 3.1Å; T62-D64 PolarHBondContact O-N 2.63Å; T62-D64 VanDerWaalsContact O-N 3.12Å; T62-D64 PolarHBondContact OG1-OD1 3.13Å; T62-G65 PolarHBondContact O-N 3.22Å; T62-G65 VanDerWaalsContact O-N 3.08Å; T62-L66 PolarHBondContact N-O 3.5Å; T62-L66 VanDerWaalsContact N-O 3.13Å; T62-L66 PolarHBondContact OG1-O 2.77Å; T62-I88 WeakPolarHBondContact O-CG1 3.42Å
63	T	85.4	Confident	88.3	Confident	52 Å²	52	29 Å²	29	32%	0.319	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	2.6	-172.9	54.1	0	0	0	0	115.3	K35 I88 I90	K35-T63 PolarHBondContact O-N 2.82Å; K35-T63 PolarHBondContact O-OG1 3.39Å; T63-I88 WeakPolarHBondContact CA-O 3.44Å; T63-I88 HydrophobicContact CG2-CD1 4.17Å; T63-I88 HydrophobicContact CG2-CG1 4.16Å; T63-I90 HydrophobicContact CG2-CD1 4.39Å; T63-I90 HydrophobicContact CG2-CG1 3.73Å
64	D	83.1	Confident	88.7	Confident	118 Å²	118	29 Å²	29	63%	0.631	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-4.1	169.4	55.6	5.4	0	0	0	112.9	T62 L66	T62-D64 WeakPolarHBondContact CB-OD1 3.1Å; T62-D64 PolarHBondContact O-N 2.63Å; T62-D64 VanDerWaalsContact O-N 3.12Å; T62-D64 PolarHBondContact OG1-OD1 3.13Å; D64-L66 WeakPolarHBondContact OD1-CB 3.26Å; D64-L66 PolarHBondContact OD1-N 3.36Å
65	G	82.7	Confident	88.8	Confident	8 Å²	8	35.2 Å²	35.2	8%	0.082	19%	0.187	C	C	.	.	S	Bend	trans	91.1	0.6	-178.1	0	0	0	0	0	114.5	T62 T83 V84	T62-G65 PolarHBondContact O-N 3.22Å; T62-G65 VanDerWaalsContact O-N 3.08Å; G65-T83 CarbonylContact O-C 3.47Å; G65-T83 WeakPolarHBondContact O-CA 3.41Å; G65-V84 PolarHBondContact O-N 3.24Å
66	L	88.1	Confident	88.7	Confident	53 Å²	53	40.6 Å²	40.6	28%	0.277	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	135.1	172.6	-176.3	64.9	0	0	0	110.5	T62 D64 E81	T62-L66 PolarHBondContact N-O 3.5Å; T62-L66 VanDerWaalsContact N-O 3.13Å; T62-L66 PolarHBondContact OG1-O 2.77Å; D64-L66 WeakPolarHBondContact OD1-CB 3.26Å; D64-L66 PolarHBondContact OD1-N 3.36Å; L66-E81 HydrophobicContact CD1-CB 4.31Å
67	V	90.8	Very high	88.6	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.018	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	124.5	168.8	-178.4	0	0	0	0	108.6	I59 I60 L61 V69 E81 R82 V84 L109 V114	I59-V67 HydrophobicContact CG2-CG1 4.09Å; I60-V67 WeakPolarHBondContact O-CA 3.07Å; L61-V67 HydrophobicContact CD2-CB 4.32Å; L61-V67 HydrophobicContact CD2-CG1 3.76Å; L61-V67 HydrophobicContact CD2-CG2 3.75Å; V67-V69 HydrophobicContact CG1-CG2 4.12Å; V67-E81 WeakPolarHBondContact O-CA 3.46Å; V67-R82 PolarHBondContact N-O 3.15Å; V67-R82 PolarHBondContact O-N 2.99Å; V67-V84 HydrophobicContact CB-CG2 4.45Å; V67-V84 HydrophobicContact CG2-CB 4.4Å; V67-V84 HydrophobicContact CG2-CG2 3.75Å; V67-L109 HydrophobicContact CG2-CD2 3.84Å; V67-V114 HydrophobicContact CB-CG1 4.01Å; V67-V114 HydrophobicContact CG1-CG1 3.83Å
68	T	91.6	Very high	88.4	Confident	13 Å²	13	46.3 Å²	46.3	8%	0.08	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	121.2	178.4	-60.8	0	0	0	0	109	I59 I60 I70 K79 Q80 E81	I59-T68 WeakPolarHBondContact CA-O 3.12Å; I60-T68 PolarHBondContact N-O 3.43Å; I60-T68 PolarHBondContact O-N 3.43Å; T68-I70 HydrophobicContact CG2-CD1 3.86Å; T68-I70 HydrophobicContact CG2-CG1 4.1Å; T68-K79 HydrophobicContact CG2-CD 4.42Å; T68-K79 HydrophobicContact CG2-CG 4.29Å; T68-Q80 CarbonylContact C-O 3.53Å; T68-Q80 WeakPolarHBondContact CA-O 3.45Å; T68-E81 HydrophobicContact CG2-CG 4Å
69	V	92.5	Very high	88.3	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.2	178.5	-177	0	0	0	0	109.5	L57 Q58 I59 V67 K79 Q80 C115 Q117	L57-V69 HydrophobicContact CD1-CG1 3.56Å; L57-V69 HydrophobicContact CG-CG1 4.39Å; Q58-V69 CarbonylContact O-C 3.58Å; Q58-V69 VanDerWaalsContact O-CA 3.28Å; Q58-V69 WeakPolarHBondContact O-CA 3.46Å; I59-V69 HydrophobicContact CG1-CG1 4.38Å; I59-V69 HydrophobicContact CG1-CG2 4.19Å; I59-V69 HydrophobicContact CG2-CG2 4.28Å; V67-V69 HydrophobicContact CG1-CG2 4.12Å; V69-K79 CarbonylContact O-C 3.58Å; V69-K79 WeakPolarHBondContact O-CA 3.23Å; V69-Q80 PolarHBondContact N-O 3.34Å; V69-Q80 PolarHBondContact O-N 3.28Å; V69-C115 VanDerWaalsContact CG2-SG 3.58Å; V69-Q117 HydrophobicContact CG1-CB 4.19Å; V69-Q117 HydrophobicContact CG1-CG 4.24Å
70	I	91.7	Very high	88	Confident	26 Å²	26	54.3 Å²	54.3	13%	0.133	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	144.5	-174.4	-70.2	159.6	0	0	0	109.2	L55 L57 Q58 I60 T68 A78 K79	L55-I70 HydrophobicContact CD2-CG2 4.32Å; L57-I70 CarbonylContact C-O 3.36Å; L57-I70 WeakPolarHBondContact CA-O 3.42Å; Q58-I70 HydrophobicContact CB-CB 4.28Å; Q58-I70 PolarHBondContact N-O 2.77Å; Q58-I70 PolarHBondContact O-N 2.98Å; I60-I70 HydrophobicContact CD1-CD1 4.49Å; T68-I70 HydrophobicContact CG2-CD1 3.86Å; T68-I70 HydrophobicContact CG2-CG1 4.1Å; I70-A78 CarbonylContact C-O 3.58Å; I70-A78 WeakPolarHBondContact CA-O 3.13Å; I70-K79 HydrophobicContact CD1-CD 4.32Å; I70-K79 HydrophobicContact CD1-CG 4.4Å; I70-K79 HydrophobicContact CG1-CB 4.1Å; I70-K79 HydrophobicContact CG1-CD 4.16Å; I70-K79 HydrophobicContact CG1-CG 3.73Å
71	S	90.6	Very high	87.8	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	143.8	166	-174.3	0	0	0	0	107.8	L55 P56 A78	L55-S71 WeakPolarHBondContact O-CA 3.39Å; L55-S71 PolarHBondContact O-OG 3.03Å; P56-S71 WeakPolarHBondContact O-CB 3.45Å; P56-S71 PolarHBondContact O-OG 3.23Å; S71-A78 PolarHBondContact N-O 2.8Å; S71-A78 PolarHBondContact O-N 3.24Å; S71-A78 VanDerWaalsContact O-O 3.1Å
72	R	89.2	Confident	87.6	Confident	59 Å²	59	63.5 Å²	63.5	22%	0.223	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	149.1	177.6	86.7	-156.1	158.5	-161.3	-14.8	112.9	F52 L55 K76 V77 V121	F52-R72 VanDerWaalsContact CD1-NH2 3.27Å; F52-R72 PolarHBondContact O-NE 3.11Å; F52-R72 PolarHBondContact O-NH2 3.03Å; L55-R72 HydrophobicContact CB-CG 3.74Å; L55-R72 PolarHBondContact N-O 2.94Å; L55-R72 PolarHBondContact O-N 3.36Å; R72-K76 WeakPolarHBondContact CA-O 3.38Å; R72-V77 HydrophobicContact CB-CG1 4.36Å; R72-V77 HydrophobicContact CB-CG2 4.16Å; R72-V121 VanDerWaalsContact O-CG2 3.28Å; R72-V121 WeakPolarHBondContact O-CG2 3.21Å
73	N	86.4	Confident	87.5	Confident	35 Å²	35	67 Å²	67	19%	0.187	34%	0.343	C	S	.	.			trans	-135.2	178.2	161.6	74.6	14.7	0	0	0	108.2	D53 E75 K76 L120 V121	D53-N73 CarbonylContact O-C 3.49Å; D53-N73 WeakPolarHBondContact O-CA 3.39Å; N73-E75 PolarHBondContact O-N 2.99Å; N73-E75 VanDerWaalsContact O-N 3.12Å; N73-E75 WeakPolarHBondContact OD1-CA 3.39Å; N73-E75 PolarHBondContact OD1-N 3.27Å; N73-K76 PolarHBondContact N-O 3.32Å; N73-K76 PolarHBondContact O-N 2.76Å; N73-K76 PolarHBondContact OD1-N 2.85Å; N73-K76 PolarHBondContact OD1-O 3.23Å; N73-L120 HydrophobicContact CB-CB 4.46Å; N73-L120 PolarHBondContact ND2-O 3.4Å; N73-V121 HydrophobicContact CB-CG2 4.22Å
74	P	81.6	Confident	87.4	Confident	103 Å²	103	64.6 Å²	64.6	67%	0.669	33%	0.328	S	S	*	.	S	Bend	trans	-61.4	-19.2	-178.6	-27	36.4	0	0	0	115.7	D53	D53-P74 HydrophobicContact CB-CG 4.43Å; D53-P74 WeakPolarHBondContact O-CD 3.46Å
75	E	83.9	Confident	86.9	Confident	185 Å²	185	67.7 Å²	67.7	86%	0.864	34%	0.338	S	S	*	.	S	Bend	trans	-98	-29.3	-177.1	-56.8	-175.9	160.2	0	0	113.2	N73	N73-E75 PolarHBondContact O-N 2.99Å; N73-E75 VanDerWaalsContact O-N 3.12Å; N73-E75 WeakPolarHBondContact OD1-CA 3.39Å; N73-E75 PolarHBondContact OD1-N 3.27Å
76	K	86.2	Confident	86.2	Confident	114 Å²	114	71.9 Å²	71.9	50%	0.496	36%	0.359	S	S	.	.			trans	-151.8	139.4	-165.5	-174.9	176.2	168.8	-166.3	0	112	R72 N73 L120	R72-K76 WeakPolarHBondContact CA-O 3.38Å; N73-K76 PolarHBondContact N-O 3.32Å; N73-K76 PolarHBondContact O-N 2.76Å; N73-K76 PolarHBondContact OD1-N 2.85Å; N73-K76 PolarHBondContact OD1-O 3.23Å; K76-L120 HydrophobicContact CB-CD1 4.2Å; K76-L120 HydrophobicContact CD-CD1 4.31Å; K76-L120 HydrophobicContact CD-CD2 3.77Å; K76-L120 HydrophobicContact CG-CD1 3.92Å; K76-L120 HydrophobicContact CG-CD2 4.3Å; K76-L120 WeakPolarHBondContact O-CD1 3.28Å
77	V	86.7	Confident	85.7	Confident	102 Å²	102	69.6 Å²	69.6	62%	0.618	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.6	166.5	-172.6	0	0	0	0	108.4	R72	R72-V77 HydrophobicContact CB-CG1 4.36Å; R72-V77 HydrophobicContact CB-CG2 4.16Å
78	A	87.2	Confident	85.4	Confident	18 Å²	18	69.6 Å²	69.6	15%	0.149	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	135	165.9	0	0	0	0	0	108.9	I70 S71 Q117 L120	I70-A78 CarbonylContact C-O 3.58Å; I70-A78 WeakPolarHBondContact CA-O 3.13Å; S71-A78 PolarHBondContact N-O 2.8Å; S71-A78 PolarHBondContact O-N 3.24Å; S71-A78 VanDerWaalsContact O-O 3.1Å; A78-Q117 VanDerWaalsContact CB-NE2 3.31Å; A78-L120 HydrophobicContact CB-CD1 3.73Å; A78-L120 HydrophobicContact CB-CG 4.34Å
79	K	89.9	Confident	85	Confident	120 Å²	120	72.6 Å²	72.6	52%	0.522	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	132.9	176.3	180	177.9	-179.3	-156.9	0	109.2	T68 V69 I70 E81	T68-K79 HydrophobicContact CG2-CD 4.42Å; T68-K79 HydrophobicContact CG2-CG 4.29Å; V69-K79 CarbonylContact O-C 3.58Å; V69-K79 WeakPolarHBondContact O-CA 3.23Å; I70-K79 HydrophobicContact CD1-CD 4.32Å; I70-K79 HydrophobicContact CD1-CG 4.4Å; I70-K79 HydrophobicContact CG1-CB 4.1Å; I70-K79 HydrophobicContact CG1-CD 4.16Å; I70-K79 HydrophobicContact CG1-CG 3.73Å; K79-E81 WeakPolarHBondContact CE-OE1 3.35Å; K79-E81 IonicContact NZ-OE1 2.73Å; K79-E81 PolarHBondContact NZ-OE1 2.73Å
80	Q	87.7	Confident	84.7	Confident	74 Å²	74	76.6 Å²	76.6	35%	0.346	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	140.6	173.9	-61.7	-175.3	59.3	0	0	108.7	T68 V69 G116	T68-Q80 CarbonylContact C-O 3.53Å; T68-Q80 WeakPolarHBondContact CA-O 3.45Å; V69-Q80 PolarHBondContact N-O 3.34Å; V69-Q80 PolarHBondContact O-N 3.28Å; Q80-G116 PolarHBondContact NE2-O 3.1Å
81	E	88.7	Confident	84.4	Confident	116 Å²	116	80.7 Å²	80.7	54%	0.542	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.8	175.5	-68.3	-174.6	156.8	0	0	108.2	L66 V67 T68 K79	L66-E81 HydrophobicContact CD1-CB 4.31Å; V67-E81 WeakPolarHBondContact O-CA 3.46Å; T68-E81 HydrophobicContact CG2-CG 4Å; K79-E81 WeakPolarHBondContact CE-OE1 3.35Å; K79-E81 IonicContact NZ-OE1 2.73Å; K79-E81 PolarHBondContact NZ-OE1 2.73Å
82	R	87.3	Confident	84.1	Confident	103 Å²	103	86 Å²	86	39%	0.389	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	136.9	177.7	-178.6	173.5	169.5	179.1	-14.2	110.8	V67 E112 D113 V114	V67-R82 PolarHBondContact N-O 3.15Å; V67-R82 PolarHBondContact O-N 2.99Å; R82-E112 IonicContact CZ-OE1 2.73Å; R82-E112 IonicContact NE-OE1 2.89Å; R82-E112 IonicContact NH2-OE1 3.89Å; R82-E112 PolarHBondContact NH2-OE1 3.48Å; R82-D113 PolarHBondContact NH1-O 2.86Å; R82-D113 PolarHBondContact NH2-O 3.12Å; R82-V114 HydrophobicContact CB-CG1 4.26Å; R82-V114 WeakPolarHBondContact CD-O 3.03Å; R82-V114 PolarHBondContact NH1-O 2.92Å
83	T	85.9	Confident	84	Confident	104 Å²	104	87.6 Å²	87.6	64%	0.638	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	132.5	169.5	-43.8	0	0	0	0	109.7	G65	G65-T83 CarbonylContact O-C 3.47Å; G65-T83 WeakPolarHBondContact O-CA 3.41Å
84	V	83.6	Confident	84.2	Confident	1 Å²	1	86.1 Å²	86.1	1%	0.006	44%	0.437	C	S	.	.			trans	-115.1	123.1	178.1	178.2	0	0	0	0	107.9	G65 V67 N86 G87 L109 E112 V114	G65-V84 PolarHBondContact O-N 3.24Å; V67-V84 HydrophobicContact CB-CG2 4.45Å; V67-V84 HydrophobicContact CG2-CB 4.4Å; V67-V84 HydrophobicContact CG2-CG2 3.75Å; V84-N86 PolarHBondContact O-N 2.91Å; V84-G87 PolarHBondContact O-N 3.37Å; V84-G87 VanDerWaalsContact O-N 3.09Å; V84-L109 HydrophobicContact CB-CD2 4.47Å; V84-L109 HydrophobicContact CG1-CD2 4.24Å; V84-E112 HydrophobicContact CG1-CB 4.46Å; V84-V114 HydrophobicContact CG2-CG1 4.25Å; V84-V114 HydrophobicContact CG2-CG2 3.98Å
85	E	73.5	Confident	84.6	Confident	182 Å²	182	84.3 Å²	84.3	85%	0.85	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-34.6	-174.8	-66.5	-168.2	166	0	0	112.2
86	N	68.2	Low	85	Confident	96 Å²	96	75.6 Å²	75.6	51%	0.513	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	48	175	-66.3	-71.4	0	0	0	111.7	V84 N110	V84-N86 PolarHBondContact O-N 2.91Å; N86-N110 PolarHBondContact O-ND2 3.08Å
87	G	76.5	Confident	85.2	Confident	6 Å²	6	70.2 Å²	70.2	6%	0.062	36%	0.356	C	S	.	.			trans	-61.7	177.8	171	0	0	0	0	0	114.1	V84 Q89	V84-G87 PolarHBondContact O-N 3.37Å; V84-G87 VanDerWaalsContact O-N 3.09Å; G87-Q89 PolarHBondContact O-NE2 3.5Å
88	I	84.9	Confident	85.5	Confident	3 Å²	3	65.4 Å²	65.4	2%	0.015	33%	0.327	C	S	.	.			trans	-60.6	141.3	-176	60.5	163.6	0	0	0	112.3	I37 L61 T62 T63 F94 L109	I37-I88 HydrophobicContact CD1-CD1 4.24Å; I37-I88 HydrophobicContact CG1-CD1 4.16Å; L61-I88 HydrophobicContact CB-CD1 3.75Å; L61-I88 HydrophobicContact CB-CG1 4.1Å; L61-I88 HydrophobicContact CB-CG2 3.98Å; L61-I88 HydrophobicContact CD1-CG2 3.81Å; L61-I88 HydrophobicContact CG-CG2 4.46Å; L61-I88 WeakPolarHBondContact O-CD1 3.29Å; T62-I88 WeakPolarHBondContact O-CG1 3.42Å; T63-I88 WeakPolarHBondContact CA-O 3.44Å; T63-I88 HydrophobicContact CG2-CD1 4.17Å; T63-I88 HydrophobicContact CG2-CG1 4.16Å; I88-F94 HydrophobicContact CG2-CB 4.04Å; I88-F94 HydrophobicContact CG2-CD1 4.22Å; I88-F94 HydrophobicContact CG2-CD2 4.35Å; I88-F94 HydrophobicContact CG2-CG 3.93Å; I88-L109 HydrophobicContact CG2-CD1 4.41Å
89	Q	84.1	Confident	85.6	Confident	75 Å²	75	65.4 Å²	65.4	35%	0.35	32%	0.323	S	S	.	.			trans	-132.8	136.6	-175.9	-74.5	169.8	48.4	0	0	110.9	G87 N91 K92	G87-Q89 PolarHBondContact O-NE2 3.5Å; Q89-N91 PolarHBondContact O-N 3.4Å; Q89-K92 HydrophobicContact CB-CB 4.11Å; Q89-K92 HydrophobicContact CB-CD 3.87Å; Q89-K92 HydrophobicContact CB-CG 4.17Å; Q89-K92 PolarHBondContact O-N 2.87Å
90	I	85.8	Confident	85.6	Confident	87 Å²	87	59.8 Å²	59.8	45%	0.446	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	130.2	-174.2	-51.4	178.7	0	0	0	110.2	C32 T63 K92	C32-I90 CarbonylContact O-C 3.52Å; C32-I90 WeakPolarHBondContact O-CA 3.21Å; T63-I90 HydrophobicContact CG2-CD1 4.39Å; T63-I90 HydrophobicContact CG2-CG1 3.73Å; I90-K92 PolarHBondContact O-N 2.9Å
91	N	84.3	Confident	85.6	Confident	112 Å²	112	60.6 Å²	60.6	60%	0.599	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	23.7	-175.1	-52	-49.7	0	0	0	114.9	C32 H33 Q89	C32-N91 PolarHBondContact O-N 3.35Å; H33-N91 PolarHBondContact CE1-OD1 3.13Å; H33-N91 PolarHBondContact ND1-OD1 3.03Å; Q89-N91 PolarHBondContact O-N 3.4Å
92	K	84.7	Confident	85.3	Confident	111 Å²	111	62.6 Å²	62.6	48%	0.483	31%	0.307	S	S	.	.	S	Bend	trans	-115.2	151.2	169.2	-65.7	-167.6	-173.5	173.8	0	111.2	Q89 I90	Q89-K92 HydrophobicContact CB-CB 4.11Å; Q89-K92 HydrophobicContact CB-CD 3.87Å; Q89-K92 HydrophobicContact CB-CG 4.17Å; Q89-K92 PolarHBondContact O-N 2.87Å; I90-K92 PolarHBondContact O-N 2.9Å
93	P	86.6	Confident	85.2	Confident	93 Å²	93	65.8 Å²	65.8	60%	0.604	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	148.3	168.6	30.2	-35.1	0	0	0	110.6	G30	G30-P93 CarbonylContact O-C 3.58Å; G30-P93 VanDerWaalsContact O-CA 3.23Å; G30-P93 WeakPolarHBondContact O-CA 3.26Å
94	F	90.4	Very high	85.4	Confident	4 Å²	4	62.1 Å²	62.1	2%	0.018	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	158.1	165.1	70.9	-89.3	0	0	0	109.6	H29 G30 C32 I37 L61 I88 L96 L109 N110 V135	H29-F94 WeakPolarHBondContact CA-O 3.41Å; G30-F94 VanDerWaalsContact C-CE1 3.46Å; G30-F94 PolarHBondContact N-O 3.14Å; G30-F94 VanDerWaalsContact N-O 3.08Å; G30-F94 WeakPolarHBondContact O-CD1 3.48Å; G30-F94 WeakPolarHBondContact O-CE1 3.32Å; G30-F94 PolarHBondContact O-N 3.02Å; C32-F94 HydrophobicContact CB-CD1 4.4Å; C32-F94 HydrophobicContact CB-CE1 4.44Å; I37-F94 HydrophobicContact CD1-CD1 4.24Å; I37-F94 HydrophobicContact CD1-CE1 3.38Å; I37-F94 HydrophobicContact CD1-CZ 3.56Å; L61-F94 HydrophobicContact CD1-CE2 4.42Å; I88-F94 HydrophobicContact CG2-CB 4.04Å; I88-F94 HydrophobicContact CG2-CD1 4.22Å; I88-F94 HydrophobicContact CG2-CD2 4.35Å; I88-F94 HydrophobicContact CG2-CG 3.93Å; F94-L96 HydrophobicContact CD2-CB 4.26Å; F94-L96 HydrophobicContact CE2-CB 4.12Å; F94-L109 HydrophobicContact CD2-CD1 4.44Å; F94-N110 VanDerWaalsContact CA-OD1 3.28Å; F94-N110 WeakPolarHBondContact CA-OD1 3.46Å; F94-V135 HydrophobicContact CE1-CG2 3.78Å; F94-V135 HydrophobicContact CZ-CG2 3.94Å
95	E	90.6	Very high	85.7	Confident	64 Å²	64	62.1 Å²	62.1	30%	0.299	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	114.3	175.9	177.4	-173.6	135.4	0	0	107.9	I28 H29 L109 N110	I28-E95 CarbonylContact O-C 3.48Å; I28-E95 WeakPolarHBondContact O-CA 3.27Å; H29-E95 IonicContact CE1-OE2 2.77Å; H29-E95 PolarHBondContact CE1-OE2 2.84Å; E95-L109 CarbonylContact O-C 3.49Å; E95-L109 WeakPolarHBondContact O-CA 3.28Å; E95-N110 PolarHBondContact N-OD1 2.78Å; E95-N110 PolarHBondContact O-N 2.83Å
96	L	91.9	Very high	86.6	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.7	174.1	174.3	68.5	0	0	0	108.9	I28 F39 I59 L61 F94 V107 L109	I28-L96 HydrophobicContact CB-CB 4.39Å; I28-L96 HydrophobicContact CD1-CD2 4.38Å; I28-L96 PolarHBondContact N-O 3.14Å; I28-L96 PolarHBondContact O-N 3Å; F39-L96 HydrophobicContact CB-CD2 4.23Å; F39-L96 HydrophobicContact CD2-CD2 4.37Å; F39-L96 HydrophobicContact CG-CD2 4.16Å; I59-L96 HydrophobicContact CD1-CD1 4.27Å; I59-L96 HydrophobicContact CD1-CD2 4.41Å; I59-L96 HydrophobicContact CG2-CD1 4.33Å; L61-L96 HydrophobicContact CD1-CD1 4.49Å; L61-L96 HydrophobicContact CD1-CD2 4.25Å; F94-L96 HydrophobicContact CD2-CB 4.26Å; F94-L96 HydrophobicContact CE2-CB 4.12Å; L96-V107 HydrophobicContact CD1-CG1 4.03Å; L96-L109 HydrophobicContact CB-CD1 4.37Å; L96-L109 HydrophobicContact CD1-CD1 4.3Å
97	C	90.9	Very high	87.8	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.007	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133	-175.2	-61.4	0	0	0	0	111	Y25 I26 V107 K108	Y25-C97 HydrophobicContact CE2-CB 3.74Å; Y25-C97 PolarHBondContact OH-SG 2.58Å; I26-C97 CarbonylContact O-C 3.56Å; I26-C97 VanDerWaalsContact O-CA 3.27Å; I26-C97 WeakPolarHBondContact O-CA 3.48Å; C97-V107 CarbonylContact O-C 3.59Å; C97-V107 WeakPolarHBondContact O-CA 3.42Å; C97-K108 HydrophobicContact CB-CB 4.2Å; C97-K108 PolarHBondContact N-O 3.1Å; C97-K108 PolarHBondContact O-N 2.65Å
98	V	92.1	Very high	88.5	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	109.4	-178.9	-174.3	0	0	0	0	109.2	Y25 I26 F39 L57 I59 Y105 V106 V107	Y25-V98 WeakPolarHBondContact CA-O 3.41Å; I26-V98 HydrophobicContact CB-CB 4.35Å; I26-V98 PolarHBondContact N-O 2.77Å; I26-V98 PolarHBondContact O-N 2.87Å; F39-V98 HydrophobicContact CE1-CG2 4.36Å; F39-V98 HydrophobicContact CZ-CG2 4.39Å; L57-V98 HydrophobicContact CD2-CG1 3.92Å; I59-V98 HydrophobicContact CD1-CG2 3.68Å; V98-Y105 HydrophobicContact CG1-CD1 3.97Å; V98-Y105 HydrophobicContact CG1-CG 4.44Å; V98-V106 WeakPolarHBondContact CA-O 3.35Å; V98-V107 HydrophobicContact CG2-CG2 4.45Å
99	H	90.3	Very high	88.8	Confident	17 Å²	17	52.5 Å²	52.5	8%	0.079	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128.5	169.6	-56.7	-102.4	0	0	0	109.6	Y25 Y101 Y105 V106 K108 M145	Y25-H99 HydrophobicContact CD2-CB 4.45Å; Y25-H99 AromaticContact CD2-CD2 3.8Å; Y25-H99 AromaticContact CD2-CE1 3.34Å; Y25-H99 WeakPolarHBondContact CD2-CE1 3.42Å; Y25-H99 AromaticContact CD2-CG 3.61Å; Y25-H99 AromaticContact CD2-ND1 3.32Å; Y25-H99 VanDerWaalsContact CD2-ND1 3.32Å; Y25-H99 WeakPolarHBondContact CD2-ND1 3.29Å; Y25-H99 AromaticContact CD2-NE2 3.67Å; Y25-H99 AromaticContact CE2-CD2 3.85Å; Y25-H99 AromaticContact CE2-CE1 3.36Å; Y25-H99 WeakPolarHBondContact CE2-CE1 3.41Å; Y25-H99 AromaticContact CE2-ND1 3.85Å; Y25-H99 AromaticContact CE2-NE2 3.38Å; Y25-H99 WeakPolarHBondContact CE2-NE2 3.46Å; H99-Y101 HydrophobicContact CB-CD2 4.03Å; H99-Y101 HydrophobicContact CB-CE2 3.51Å; H99-Y105 CarbonylContact O-C 3.54Å; H99-Y105 VanDerWaalsContact O-CA 3.25Å; H99-Y105 WeakPolarHBondContact O-CA 3.41Å; H99-V106 HydrophobicContact CB-CB 4.33Å; H99-V106 PolarHBondContact N-O 3.33Å; H99-V106 PolarHBondContact O-N 3.39Å; H99-K108 WeakPolarHBondContact NE2-CE 3.39Å; H99-M145 PolarHBondContact ND1-SD 3.02Å
100	A	90.1	Very high	89.1	Confident	3 Å²	3	51.9 Å²	51.9	3%	0.025	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	95.9	171.7	0	0	0	0	0	110	G23 D24 Y105 L123	G23-A100 PolarHBondContact N-O 3.25Å; D24-A100 HydrophobicContact CB-CB 4.33Å; D24-A100 PolarHBondContact O-N 3.37Å; A100-Y105 HydrophobicContact CB-CD1 4.21Å; A100-Y105 HydrophobicContact CB-CE1 4.22Å; A100-L123 HydrophobicContact CB-CD1 4.46Å; A100-L123 HydrophobicContact CB-CD2 3.76Å
101	Y	87.5	Confident	88.9	Confident	90 Å²	90	50.3 Å²	50.3	35%	0.353	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	158.5	170.7	-63.7	-76.7	0	0	0	110.5	H99 K103 C104 V106 H119	H99-Y101 HydrophobicContact CB-CD2 4.03Å; H99-Y101 HydrophobicContact CB-CE2 3.51Å; Y101-K103 PolarHBondContact O-N 3.43Å; Y101-C104 PolarHBondContact N-O 2.79Å; Y101-C104 PolarHBondContact O-N 2.82Å; Y101-C104 VanDerWaalsContact O-O 3.12Å; Y101-V106 HydrophobicContact CD2-CB 4.33Å; Y101-V106 HydrophobicContact CD2-CG2 3.81Å; Y101-V106 HydrophobicContact CE2-CB 4.05Å; Y101-V106 HydrophobicContact CE2-CG2 3.79Å; Y101-H119 PolarHBondContact O-NE2 2.96Å
102	K	82.7	Confident	89	Confident	159 Å²	159	47.9 Å²	47.9	69%	0.691	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-43.3	-23.4	179.4	-153.4	166.6	-167.5	136.2	0	117.9	D22	D22-K102 WeakPolarHBondContact OD1-CA 3.38Å; D22-K102 PolarHBondContact OD1-N 3.04Å; D22-K102 VanDerWaalsContact OD2-CB 3.3Å; D22-K102 WeakPolarHBondContact OD2-CB 3.46Å; D22-K102 WeakPolarHBondContact OD2-CD 3.32Å; D22-K102 WeakPolarHBondContact OD2-CG 3.21Å
103	K	84.4	Confident	89	Confident	169 Å²	169	46.6 Å²	46.6	74%	0.735	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.8	-27.3	-175.1	-64.1	-176.6	173.5	-179.8	0	114.2	Y101 H119	Y101-K103 PolarHBondContact O-N 3.43Å; K103-H119 PolarHBondContact O-N 3.06Å; K103-H119 VanDerWaalsContact O-N 3.13Å
104	C	89.9	Confident	89	Confident	28 Å²	28	42.4 Å²	42.4	19%	0.189	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	155.3	-171.7	57	0	0	0	0	112.1	Y101 Q117 H119	Y101-C104 PolarHBondContact N-O 2.79Å; Y101-C104 PolarHBondContact O-N 2.82Å; Y101-C104 VanDerWaalsContact O-O 3.12Å; C104-Q117 CarbonylContact C-O 3.6Å; C104-Q117 WeakPolarHBondContact CA-O 3.19Å; C104-Q117 VanDerWaalsContact CB-O 3.28Å; C104-Q117 WeakPolarHBondContact CB-O 3.48Å; C104-H119 PolarHBondContact N-NE2 3.15Å
105	Y	91.5	Very high	89	Confident	1 Å²	1	43 Å²	43	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	139.1	162.2	-58.4	-77.9	0	0	0	109.8	L20 L41 L57 V98 H99 A100 G116 Q117 H119 L123	L20-Y105 HydrophobicContact CD1-CE1 4.06Å; L41-Y105 HydrophobicContact CD1-CD1 4.47Å; L41-Y105 HydrophobicContact CD1-CE1 3.79Å; L57-Y105 HydrophobicContact CB-CD2 4.34Å; L57-Y105 HydrophobicContact CB-CE2 4.18Å; L57-Y105 HydrophobicContact CD1-CD2 3.85Å; L57-Y105 HydrophobicContact CD1-CE2 4.42Å; L57-Y105 HydrophobicContact CD1-CG 4.34Å; L57-Y105 HydrophobicContact CD2-CD1 4.17Å; L57-Y105 HydrophobicContact CD2-CD2 4.05Å; L57-Y105 HydrophobicContact CD2-CG 3.82Å; L57-Y105 HydrophobicContact CG-CD2 4.32Å; V98-Y105 HydrophobicContact CG1-CD1 3.97Å; V98-Y105 HydrophobicContact CG1-CG 4.44Å; H99-Y105 CarbonylContact O-C 3.54Å; H99-Y105 VanDerWaalsContact O-CA 3.25Å; H99-Y105 WeakPolarHBondContact O-CA 3.41Å; A100-Y105 HydrophobicContact CB-CD1 4.21Å; A100-Y105 HydrophobicContact CB-CE1 4.22Å; Y105-G116 CarbonylContact O-C 3.59Å; Y105-G116 VanDerWaalsContact O-CA 3.29Å; Y105-G116 WeakPolarHBondContact O-CA 3.41Å; Y105-Q117 PolarHBondContact N-O 3.04Å; Y105-Q117 PolarHBondContact O-N 2.72Å; Y105-H119 AromaticContact CD1-CE1 3.9Å; Y105-H119 AromaticContact CD2-CE1 3.51Å; Y105-H119 AromaticContact CD2-ND1 3.37Å; Y105-H119 WeakPolarHBondContact CD2-ND1 3.31Å; Y105-H119 AromaticContact CE1-CE1 3.86Å; Y105-H119 AromaticContact CE2-CE1 3.47Å; Y105-H119 VanDerWaalsContact CE2-CE1 3.47Å; Y105-H119 WeakPolarHBondContact CE2-CE1 3.28Å; Y105-H119 AromaticContact CE2-ND1 3.16Å; Y105-H119 WeakPolarHBondContact CE2-ND1 3.44Å; Y105-H119 AromaticContact CG-CE1 3.73Å; Y105-H119 AromaticContact CZ-CE1 3.65Å; Y105-H119 AromaticContact CZ-ND1 3.7Å; Y105-H119 PolarHBondContact N-CE1 2.82Å; Y105-L123 HydrophobicContact CD1-CD2 4.46Å; Y105-L123 HydrophobicContact CE1-CD2 3.61Å
106	V	91.8	Very high	88.9	Confident	30 Å²	30	41.9 Å²	41.9	18%	0.182	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	113.6	166.7	174.1	0	0	0	0	108.8	V98 H99 Y101 C115	V98-V106 WeakPolarHBondContact CA-O 3.35Å; H99-V106 HydrophobicContact CB-CB 4.33Å; H99-V106 PolarHBondContact N-O 3.33Å; H99-V106 PolarHBondContact O-N 3.39Å; Y101-V106 HydrophobicContact CD2-CB 4.33Å; Y101-V106 HydrophobicContact CD2-CG2 3.81Å; Y101-V106 HydrophobicContact CE2-CB 4.05Å; Y101-V106 HydrophobicContact CE2-CG2 3.79Å; V106-C115 WeakPolarHBondContact CA-O 3.35Å
107	V	92.7	Very high	88.8	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.8	-178.5	-179.6	0	0	0	0	109.7	L57 I59 L96 C97 V98 V114 C115	L57-V107 HydrophobicContact CD2-CG2 4.38Å; I59-V107 HydrophobicContact CD1-CB 4.44Å; I59-V107 HydrophobicContact CD1-CG1 3.78Å; I59-V107 HydrophobicContact CD1-CG2 3.73Å; I59-V107 HydrophobicContact CG1-CG2 4.4Å; L96-V107 HydrophobicContact CD1-CG1 4.03Å; C97-V107 CarbonylContact O-C 3.59Å; C97-V107 WeakPolarHBondContact O-CA 3.42Å; V98-V107 HydrophobicContact CG2-CG2 4.45Å; V107-V114 HydrophobicContact CB-CB 4.49Å; V107-V114 HydrophobicContact CG1-CB 4.29Å; V107-V114 HydrophobicContact CG1-CG2 4.45Å; V107-V114 WeakPolarHBondContact O-CB 3.46Å; V107-V114 PolarHBondContact O-N 2.77Å; V107-C115 PolarHBondContact N-O 3.06Å; V107-C115 PolarHBondContact O-N 3.16Å
108	K	91.2	Very high	88.7	Confident	53 Å²	53	46.9 Å²	46.9	23%	0.23	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	145	172.7	-43.4	179.4	179.5	-97.4	0	110	C97 H99 E112 D113	C97-K108 HydrophobicContact CB-CB 4.2Å; C97-K108 PolarHBondContact N-O 3.1Å; C97-K108 PolarHBondContact O-N 2.65Å; H99-K108 WeakPolarHBondContact NE2-CE 3.39Å; K108-E112 CarbonylContact C-O 3.58Å; K108-E112 WeakPolarHBondContact CA-O 3.27Å; K108-D113 VanDerWaalsContact CD-OD1 3.31Å; K108-D113 WeakPolarHBondContact CD-OD1 3.3Å; K108-D113 WeakPolarHBondContact CE-OD1 3.49Å; K108-D113 WeakPolarHBondContact CG-OD1 3.12Å; K108-D113 VanDerWaalsContact NZ-CG 3.3Å; K108-D113 IonicContact NZ-OD1 3.54Å; K108-D113 PolarHBondContact NZ-OD1 3.08Å; K108-D113 IonicContact NZ-OD2 2.71Å; K108-D113 PolarHBondContact NZ-OD2 2.8Å
109	L	91.9	Very high	88.5	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	123.3	175.7	-177.1	71.2	0	0	0	109.3	L61 V67 V84 I88 F94 E95 L96 G111 E112 V114	L61-L109 HydrophobicContact CD1-CD1 4.02Å; L61-L109 HydrophobicContact CD2-CD1 4.22Å; L61-L109 HydrophobicContact CD2-CD2 4.08Å; V67-L109 HydrophobicContact CG2-CD2 3.84Å; V84-L109 HydrophobicContact CB-CD2 4.47Å; V84-L109 HydrophobicContact CG1-CD2 4.24Å; I88-L109 HydrophobicContact CG2-CD1 4.41Å; F94-L109 HydrophobicContact CD2-CD1 4.44Å; E95-L109 CarbonylContact O-C 3.49Å; E95-L109 WeakPolarHBondContact O-CA 3.28Å; L96-L109 HydrophobicContact CB-CD1 4.37Å; L96-L109 HydrophobicContact CD1-CD1 4.3Å; L109-G111 PolarHBondContact O-N 3.29Å; L109-G111 VanDerWaalsContact O-N 3.16Å; L109-E112 PolarHBondContact N-O 2.78Å; L109-E112 PolarHBondContact O-N 2.72Å; L109-V114 HydrophobicContact CB-CG2 3.77Å
110	N	89.1	Confident	88.4	Confident	62 Å²	62	48.9 Å²	48.9	33%	0.332	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	35.3	-177.7	-61.1	-37.1	0	0	0	113.2	N86 F94 E95	N86-N110 PolarHBondContact O-ND2 3.08Å; F94-N110 VanDerWaalsContact CA-OD1 3.28Å; F94-N110 WeakPolarHBondContact CA-OD1 3.46Å; E95-N110 PolarHBondContact N-OD1 2.78Å; E95-N110 PolarHBondContact O-N 2.83Å
111	G	82.9	Confident	88.2	Confident	55 Å²	55	49 Å²	49	57%	0.567	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-4	-176.2	0	0	0	0	0	116.2	L109	L109-G111 PolarHBondContact O-N 3.29Å; L109-G111 VanDerWaalsContact O-N 3.16Å
112	E	85.3	Confident	88.1	Confident	61 Å²	61	47.4 Å²	47.4	29%	0.285	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	127.6	174.5	-164.9	-170.3	138.7	0	0	111.4	R82 V84 K108 L109 V114	R82-E112 IonicContact CZ-OE1 2.73Å; R82-E112 IonicContact NE-OE1 2.89Å; R82-E112 IonicContact NH2-OE1 3.89Å; R82-E112 PolarHBondContact NH2-OE1 3.48Å; V84-E112 HydrophobicContact CG1-CB 4.46Å; K108-E112 CarbonylContact C-O 3.58Å; K108-E112 WeakPolarHBondContact CA-O 3.27Å; L109-E112 PolarHBondContact N-O 2.78Å; L109-E112 PolarHBondContact O-N 2.72Å; E112-V114 PolarHBondContact O-N 3.09Å
113	D	86	Confident	88.2	Confident	84 Å²	84	40.7 Å²	40.7	45%	0.449	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	108.2	176.7	-71.4	5.7	0	0	0	110.7	R82 K108	R82-D113 PolarHBondContact NH1-O 2.86Å; R82-D113 PolarHBondContact NH2-O 3.12Å; K108-D113 VanDerWaalsContact CD-OD1 3.31Å; K108-D113 WeakPolarHBondContact CD-OD1 3.3Å; K108-D113 WeakPolarHBondContact CE-OD1 3.49Å; K108-D113 WeakPolarHBondContact CG-OD1 3.12Å; K108-D113 VanDerWaalsContact NZ-CG 3.3Å; K108-D113 IonicContact NZ-OD1 3.54Å; K108-D113 PolarHBondContact NZ-OD1 3.08Å; K108-D113 IonicContact NZ-OD2 2.71Å; K108-D113 PolarHBondContact NZ-OD2 2.8Å
114	V	85.9	Confident	88.2	Confident	5 Å²	5	38 Å²	38	3%	0.03	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-57.5	-174.3	-173.4	0	0	0	0	111.3	V67 R82 V84 V107 L109 E112	V67-V114 HydrophobicContact CB-CG1 4.01Å; V67-V114 HydrophobicContact CG1-CG1 3.83Å; R82-V114 HydrophobicContact CB-CG1 4.26Å; R82-V114 WeakPolarHBondContact CD-O 3.03Å; R82-V114 PolarHBondContact NH1-O 2.92Å; V84-V114 HydrophobicContact CG2-CG1 4.25Å; V84-V114 HydrophobicContact CG2-CG2 3.98Å; V107-V114 HydrophobicContact CB-CB 4.49Å; V107-V114 HydrophobicContact CG1-CB 4.29Å; V107-V114 HydrophobicContact CG1-CG2 4.45Å; V107-V114 WeakPolarHBondContact O-CB 3.46Å; V107-V114 PolarHBondContact O-N 2.77Å; L109-V114 HydrophobicContact CB-CG2 3.77Å; E112-V114 PolarHBondContact O-N 3.09Å
115	C	89.5	Confident	88	Confident	17 Å²	17	39.5 Å²	39.5	12%	0.115	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	159	178.8	64.8	0	0	0	0	113.2	V69 V106 V107	V69-C115 VanDerWaalsContact CG2-SG 3.58Å; V106-C115 WeakPolarHBondContact CA-O 3.35Å; V107-C115 PolarHBondContact N-O 3.06Å; V107-C115 PolarHBondContact O-N 3.16Å
116	G	88.7	Confident	87.6	Confident	40 Å²	40	39.4 Å²	39.4	41%	0.412	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	124.5	157.6	0	0	0	0	0	108.9	Q80 Y105	Q80-G116 PolarHBondContact NE2-O 3.1Å; Y105-G116 CarbonylContact O-C 3.59Å; Y105-G116 VanDerWaalsContact O-CA 3.29Å; Y105-G116 WeakPolarHBondContact O-CA 3.41Å
117	Q	90.1	Very high	87.3	Confident	6 Å²	6	40.7 Å²	40.7	3%	0.028	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	110.2	-179.9	175.7	49.9	61.3	0	0	109.9	L57 V69 A78 C104 Y105	L57-Q117 HydrophobicContact CD1-CB 4.19Å; L57-Q117 HydrophobicContact CD1-CG 3.79Å; V69-Q117 HydrophobicContact CG1-CB 4.19Å; V69-Q117 HydrophobicContact CG1-CG 4.24Å; A78-Q117 VanDerWaalsContact CB-NE2 3.31Å; C104-Q117 CarbonylContact C-O 3.6Å; C104-Q117 WeakPolarHBondContact CA-O 3.19Å; C104-Q117 VanDerWaalsContact CB-O 3.28Å; C104-Q117 WeakPolarHBondContact CB-O 3.48Å; Y105-Q117 PolarHBondContact N-O 3.04Å; Y105-Q117 PolarHBondContact O-N 2.72Å
118	D	88.9	Confident	86.9	Confident	102 Å²	102	40.7 Å²	40.7	55%	0.545	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	144.6	176.8	-66.4	-24	0	0	0	112.2	L120	D118-L120 PolarHBondContact O-N 2.75Å
119	H	88	Confident	86.8	Confident	40 Å²	40	38.2 Å²	38.2	19%	0.185	22%	0.223	C	C	.	.			trans	-70.6	113.8	179.2	-64	-32	0	0	0	111.7	Y101 K103 C104 Y105 L123	Y101-H119 PolarHBondContact O-NE2 2.96Å; K103-H119 PolarHBondContact O-N 3.06Å; K103-H119 VanDerWaalsContact O-N 3.13Å; C104-H119 PolarHBondContact N-NE2 3.15Å; Y105-H119 AromaticContact CD1-CE1 3.9Å; Y105-H119 AromaticContact CD2-CE1 3.51Å; Y105-H119 AromaticContact CD2-ND1 3.37Å; Y105-H119 WeakPolarHBondContact CD2-ND1 3.31Å; Y105-H119 AromaticContact CE1-CE1 3.86Å; Y105-H119 AromaticContact CE2-CE1 3.47Å; Y105-H119 VanDerWaalsContact CE2-CE1 3.47Å; Y105-H119 WeakPolarHBondContact CE2-CE1 3.28Å; Y105-H119 AromaticContact CE2-ND1 3.16Å; Y105-H119 WeakPolarHBondContact CE2-ND1 3.44Å; Y105-H119 AromaticContact CG-CE1 3.73Å; Y105-H119 AromaticContact CZ-CE1 3.65Å; Y105-H119 AromaticContact CZ-ND1 3.7Å; Y105-H119 PolarHBondContact N-CE1 2.82Å; H119-L123 VanDerWaalsContact CE1-CD2 3.41Å; H119-L123 WeakPolarHBondContact CE1-CD2 3.27Å; H119-L123 WeakPolarHBondContact NE2-CD2 3.46Å; H119-L123 WeakPolarHBondContact NE2-CG 3.33Å
120	L	88.6	Confident	86.6	Confident	21 Å²	21	38.2 Å²	38.2	11%	0.11	22%	0.223	C	C	.	.	S	Bend	trans	-92.8	-19.5	166.3	-57.9	-167.3	0	0	0	112.8	N73 K76 A78 D118	N73-L120 HydrophobicContact CB-CB 4.46Å; N73-L120 PolarHBondContact ND2-O 3.4Å; K76-L120 HydrophobicContact CB-CD1 4.2Å; K76-L120 HydrophobicContact CD-CD1 4.31Å; K76-L120 HydrophobicContact CD-CD2 3.77Å; K76-L120 HydrophobicContact CG-CD1 3.92Å; K76-L120 HydrophobicContact CG-CD2 4.3Å; K76-L120 WeakPolarHBondContact O-CD1 3.28Å; A78-L120 HydrophobicContact CB-CD1 3.73Å; A78-L120 HydrophobicContact CB-CG 4.34Å; D118-L120 PolarHBondContact O-N 2.75Å
121	V	85.9	Confident	86.4	Confident	4 Å²	4	35.4 Å²	35.4	2%	0.024	21%	0.208	C	C	.	.	S	Bend	trans	-123.1	136.4	171.5	-175.3	0	0	0	0	106.9	T43 K54 P56 R72 N73 E125	T43-V121 HydrophobicContact CG2-CG1 4.02Å; K54-V121 HydrophobicContact CB-CG2 4.2Å; P56-V121 HydrophobicContact CB-CB 4.27Å; P56-V121 HydrophobicContact CG-CB 4.04Å; P56-V121 HydrophobicContact CG-CG1 3.91Å; P56-V121 HydrophobicContact CG-CG2 4.48Å; R72-V121 VanDerWaalsContact O-CG2 3.28Å; R72-V121 WeakPolarHBondContact O-CG2 3.21Å; N73-V121 HydrophobicContact CB-CG2 4.22Å; V121-E125 HydrophobicContact CG1-CB 3.68Å; V121-E125 HydrophobicContact CG1-CG 4.49Å
122	P	85.4	Confident	86.5	Confident	57 Å²	57	35.8 Å²	35.8	37%	0.37	20%	0.195	S	C	.	.			trans	-56	147	178	-26.5	35.6	0	0	0	113.4	N124 E125	P122-N124 VanDerWaalsContact C-N 3.25Å; P122-N124 VanDerWaalsContact CB-OD1 3.27Å; P122-N124 WeakPolarHBondContact CB-OD1 3.46Å; P122-N124 PolarHBondContact O-N 3.04Å; P122-E125 VanDerWaalsContact CD-OE1 3.29Å; P122-E125 WeakPolarHBondContact CD-OE1 3.04Å; P122-E125 WeakPolarHBondContact CG-OE1 3.49Å; P122-E125 PolarHBondContact O-N 3.38Å
123	L	85.6	Confident	86.4	Confident	18 Å²	18	33 Å²	33	9%	0.094	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-55.3	-41.5	177.7	-73.8	175.7	0	0	0	112.3	L20 A100 Y105 H119 E125 A126	L20-L123 HydrophobicContact CB-CD2 4.34Å; L20-L123 CarbonylContact O-C 3.47Å; L20-L123 VanDerWaalsContact O-C 3.24Å; L20-L123 WeakPolarHBondContact O-CB 3.39Å; A100-L123 HydrophobicContact CB-CD1 4.46Å; A100-L123 HydrophobicContact CB-CD2 3.76Å; Y105-L123 HydrophobicContact CD1-CD2 4.46Å; Y105-L123 HydrophobicContact CE1-CD2 3.61Å; H119-L123 VanDerWaalsContact CE1-CD2 3.41Å; H119-L123 WeakPolarHBondContact CE1-CD2 3.27Å; H119-L123 WeakPolarHBondContact NE2-CD2 3.46Å; H119-L123 WeakPolarHBondContact NE2-CG 3.33Å; L123-E125 PolarHBondContact O-N 3.05Å; L123-A126 WeakPolarHBondContact O-CB 3.06Å; L123-A126 PolarHBondContact O-N 2.83Å
124	N	83.5	Confident	86.3	Confident	112 Å²	112	32.6 Å²	32.6	60%	0.599	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-71.9	-5.1	179.2	66.1	-81.1	0	0	0	114.4	C19 P122	C19-N124 PolarHBondContact SG-O 2.97Å; P122-N124 VanDerWaalsContact C-N 3.25Å; P122-N124 VanDerWaalsContact CB-OD1 3.27Å; P122-N124 WeakPolarHBondContact CB-OD1 3.46Å; P122-N124 PolarHBondContact O-N 3.04Å
125	E	84.7	Confident	86.1	Confident	60 Å²	60	33.3 Å²	33.3	28%	0.28	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-94.2	-9.5	168.2	-78.5	-177	-121.2	0	0	112.1	T43 K54 V121 P122 L123 F127	T43-E125 VanDerWaalsContact CA-O 3.26Å; T43-E125 WeakPolarHBondContact CA-O 3.23Å; T43-E125 WeakPolarHBondContact CB-O 3.45Å; T43-E125 HydrophobicContact CG2-CB 4.31Å; T43-E125 WeakPolarHBondContact CG2-O 3.38Å; K54-E125 WeakPolarHBondContact CD-OE2 3.17Å; K54-E125 WeakPolarHBondContact CE-OE2 3.41Å; K54-E125 IonicContact NZ-OE2 2.94Å; K54-E125 PolarHBondContact NZ-OE2 2.86Å; V121-E125 HydrophobicContact CG1-CB 3.68Å; V121-E125 HydrophobicContact CG1-CG 4.49Å; P122-E125 VanDerWaalsContact CD-OE1 3.29Å; P122-E125 WeakPolarHBondContact CD-OE1 3.04Å; P122-E125 WeakPolarHBondContact CG-OE1 3.49Å; P122-E125 PolarHBondContact O-N 3.38Å; L123-E125 PolarHBondContact O-N 3.05Å; E125-F127 PolarHBondContact O-N 3.41Å
126	A	84.9	Confident	85.8	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.202	C	C	.	.			trans	-81.3	94.2	176.2	0	0	0	0	0	110.8	C19 L20 P56 L123	C19-A126 WeakPolarHBondContact CA-O 3.31Å; C19-A126 WeakPolarHBondContact CB-O 3.33Å; L20-A126 HydrophobicContact CB-CB 4.39Å; L20-A126 HydrophobicContact CD1-CB 3.98Å; L20-A126 HydrophobicContact CG-CB 4.31Å; L20-A126 PolarHBondContact N-O 3.11Å; P56-A126 HydrophobicContact CB-CB 3.98Å; P56-A126 HydrophobicContact CG-CB 3.94Å; L123-A126 WeakPolarHBondContact O-CB 3.06Å; L123-A126 PolarHBondContact O-N 2.83Å
127	F	84	Confident	85.5	Confident	56 Å²	56	36.9 Å²	36.9	25%	0.246	19%	0.19	C	C	.	.			trans	-93.4	-32	-170.3	176.3	-103.2	0	0	0	114	E15 I16 L42 E44 E125	E15-F127 HydrophobicContact CG-CE1 4.19Å; E15-F127 HydrophobicContact CG-CZ 4.33Å; I16-F127 WeakPolarHBondContact CB-O 3.2Å; I16-F127 PolarHBondContact N-O 3.46Å; L42-F127 PolarHBondContact O-N 3.32Å; E44-F127 HydrophobicContact CB-CB 4.21Å; E44-F127 HydrophobicContact CB-CD1 4.31Å; E44-F127 HydrophobicContact CB-CG 4.12Å; E125-F127 PolarHBondContact O-N 3.41Å
128	A	85.5	Confident	85	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.008	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	159.4	-174.8	0	0	0	0	0	113	T13 Y14 L41 L42	T13-A128 HydrophobicContact CG2-CB 4.3Å; Y14-A128 CarbonylContact O-C 3.43Å; Y14-A128 WeakPolarHBondContact O-CA 3.32Å; L41-A128 CarbonylContact C-O 3.52Å; L41-A128 WeakPolarHBondContact CA-O 3.48Å; L42-A128 HydrophobicContact CB-CB 4.39Å; L42-A128 PolarHBondContact N-O 3.09Å; L42-A128 PolarHBondContact O-N 3.14Å
129	L	87.8	Confident	84.6	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	115.4	178.2	-179.2	169.5	0	0	0	108	F12 T13 Y14 I16 I26 F39 E40 L41 M131 L140 F142	F12-L129 HydrophobicContact CE1-CD2 4.47Å; T13-L129 CarbonylContact C-O 3.37Å; T13-L129 WeakPolarHBondContact CA-O 3.42Å; Y14-L129 PolarHBondContact N-O 3.27Å; Y14-L129 PolarHBondContact O-N 3.21Å; I16-L129 HydrophobicContact CD1-CB 4.32Å; I16-L129 HydrophobicContact CG1-CB 4.39Å; I26-L129 HydrophobicContact CG2-CD1 3.97Å; F39-L129 HydrophobicContact CD2-CD2 4.23Å; F39-L129 HydrophobicContact CD2-CG 4.2Å; F39-L129 HydrophobicContact CE2-CD1 3.74Å; F39-L129 HydrophobicContact CE2-CD2 4.08Å; F39-L129 HydrophobicContact CE2-CG 3.59Å; F39-L129 HydrophobicContact CZ-CD1 4.48Å; F39-L129 HydrophobicContact CZ-CG 4.34Å; E40-L129 CarbonylContact O-C 3.49Å; E40-L129 VanDerWaalsContact O-CA 3.29Å; E40-L129 WeakPolarHBondContact O-CA 3.41Å; L41-L129 HydrophobicContact CD2-CB 4.33Å; L129-M131 HydrophobicContact CD2-CG 3.83Å; L129-M131 HydrophobicContact CD2-SD 4.26Å; L129-L140 HydrophobicContact CD1-CD1 3.97Å; L129-L140 HydrophobicContact CD1-CD2 4.23Å; L129-F142 HydrophobicContact CD1-CE1 4.31Å; L129-F142 HydrophobicContact CD1-CZ 3.78Å
130	S	87.9	Confident	84.4	Confident	1 Å²	1	35 Å²	35	1%	0.007	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	144.1	168	-179.9	0	0	0	0	110.9	E11 F12 F39 E40	E11-S130 PolarHBondContact OE1-OG 2.72Å; F12-S130 CarbonylContact O-C 3.57Å; F12-S130 WeakPolarHBondContact O-CA 3.22Å; F39-S130 CarbonylContact C-O 3.56Å; F39-S130 WeakPolarHBondContact CA-O 3.35Å; E40-S130 PolarHBondContact N-O 3.03Å; E40-S130 PolarHBondContact O-N 2.86Å
131	M	85.4	Confident	83.9	Confident	3 Å²	3	35.6 Å²	35.6	2%	0.015	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131.5	166.9	-73.7	-179.2	64.4	0	0	110	E11 F12 I28 I37 V38 F39 L129 V135 I137	E11-M131 WeakPolarHBondContact CA-O 3.33Å; F12-M131 HydrophobicContact CD1-CB 4.37Å; F12-M131 PolarHBondContact N-O 2.79Å; F12-M131 PolarHBondContact O-N 2.8Å; I28-M131 HydrophobicContact CD1-SD 3.85Å; I28-M131 HydrophobicContact CG2-CE 4.14Å; I28-M131 HydrophobicContact CG2-SD 4.01Å; I37-M131 HydrophobicContact CG2-CE 4.26Å; V38-M131 CarbonylContact O-C 3.58Å; V38-M131 VanDerWaalsContact O-CA 3.28Å; V38-M131 WeakPolarHBondContact O-CA 3.35Å; F39-M131 HydrophobicContact CB-CG 4.43Å; F39-M131 HydrophobicContact CD2-CG 4.1Å; L129-M131 HydrophobicContact CD2-CG 3.83Å; L129-M131 HydrophobicContact CD2-SD 4.26Å; M131-V135 HydrophobicContact CE-CG1 4.13Å; M131-I137 HydrophobicContact CE-CD1 4.09Å; M131-I137 HydrophobicContact CE-CG1 4.24Å; M131-I137 HydrophobicContact SD-CD1 3.83Å
132	Q	85.9	Confident	83.6	Confident	63 Å²	63	36 Å²	36	29%	0.294	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	150	178.4	-59.2	173.5	-5.3	0	0	110.8	E11 V38	E11-Q132 HydrophobicContact CB-CG 4.29Å; E11-Q132 HydrophobicContact CG-CG 4.06Å; E11-Q132 PolarHBondContact OE1-NE2 3.37Å; V38-Q132 HydrophobicContact CB-CB 4.27Å; V38-Q132 PolarHBondContact N-O 3.28Å; V38-Q132 PolarHBondContact O-N 2.9Å
133	G	83.1	Confident	82.8	Confident	4 Å²	4	36 Å²	36	4%	0.041	18%	0.18	C	C	.	.	S	Bend	trans	113.5	172.8	-178.9	0	0	0	0	0	113	D9 T10 V135	D9-G133 WeakPolarHBondContact OD1-CA 3.33Å; T10-G133 PolarHBondContact OG1-O 3.15Å; G133-V135 PolarHBondContact O-N 3.44Å; G133-V135 VanDerWaalsContact O-N 3.14Å
134	K	83.1	Confident	81.7	Confident	75 Å²	75	37 Å²	37	33%	0.326	19%	0.185	S	C	.	.	S	Bend	trans	-81.7	91.2	178.9	-68.5	172.3	177.5	175.7	0	110.8	D7 H33 G34	D7-K134 WeakPolarHBondContact OD1-CE 3.5Å; D7-K134 IonicContact OD1-NZ 2.67Å; D7-K134 PolarHBondContact OD1-NZ 3.21Å; H33-K134 WeakPolarHBondContact CA-O 3.16Å; H33-K134 HydrophobicContact CB-CB 4.21Å; H33-K134 PolarHBondContact N-O 2.98Å; G34-K134 PolarHBondContact N-O 2.93Å
135	V	82.4	Confident	80.1	Confident	19 Å²	19	35.7 Å²	35.7	12%	0.115	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	130.4	-179.2	54.7	0	0	0	0	112.3	V31 I37 F94 M131 G133 I137	V31-V135 WeakPolarHBondContact O-CA 3.39Å; I37-V135 HydrophobicContact CD1-CB 3.92Å; I37-V135 HydrophobicContact CD1-CG2 3.92Å; I37-V135 HydrophobicContact CG1-CB 4.28Å; F94-V135 HydrophobicContact CE1-CG2 3.78Å; F94-V135 HydrophobicContact CZ-CG2 3.94Å; M131-V135 HydrophobicContact CE-CG1 4.13Å; G133-V135 PolarHBondContact O-N 3.44Å; G133-V135 VanDerWaalsContact O-N 3.14Å; V135-I137 HydrophobicContact CG2-CG1 4.49Å
136	D	81.9	Confident	78.1	Confident	100 Å²	100	40.1 Å²	40.1	54%	0.535	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	105.2	168.9	-86.7	22.4	0	0	0	108.5	G30 V31 H33 L138	G30-D136 CarbonylContact C-O 3.51Å; G30-D136 VanDerWaalsContact CA-O 3.26Å; G30-D136 WeakPolarHBondContact CA-O 3.43Å; V31-D136 HydrophobicContact CB-CB 4.34Å; V31-D136 PolarHBondContact N-O 3.06Å; V31-D136 PolarHBondContact O-N 3.48Å; H33-D136 IonicContact CD2-OD1 3.79Å; H33-D136 IonicContact NE2-OD1 2.73Å; H33-D136 IonicContact NE2-OD2 3.3Å; D136-L138 PolarHBondContact O-N 2.8Å
137	I	82.2	Confident	75.8	Confident	32 Å²	32	49.7 Å²	49.7	16%	0.164	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	122.3	177.5	-58.3	175	0	0	0	109.6	F12 M131 V135	F12-I137 HydrophobicContact CD1-CD1 3.88Å; F12-I137 HydrophobicContact CE1-CD1 4.13Å; F12-I137 HydrophobicContact CG-CD1 4.21Å; M131-I137 HydrophobicContact CE-CD1 4.09Å; M131-I137 HydrophobicContact CE-CG1 4.24Å; M131-I137 HydrophobicContact SD-CD1 3.83Å; V135-I137 HydrophobicContact CG2-CG1 4.49Å
138	L	80.1	Confident	73.5	Confident	91 Å²	91	51.1 Å²	51.1	48%	0.476	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-40.4	178.3	-59	-180	0	0	0	111.8	H29 V31 D136	H29-L138 HydrophobicContact CB-CB 4.16Å; H29-L138 WeakPolarHBondContact O-CA 3.31Å; H29-L138 WeakPolarHBondContact O-CB 3.46Å; H29-L138 PolarHBondContact O-N 3.18Å; V31-L138 HydrophobicContact CG2-CD1 3.86Å; V31-L138 HydrophobicContact CG2-CD2 4.17Å; V31-L138 HydrophobicContact CG2-CG 4.12Å; D136-L138 PolarHBondContact O-N 2.8Å
139	S	81.5	Confident	71.2	Confident	8 Å²	8	57.4 Å²	57.4	6%	0.056	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	145.2	166.2	42	0	0	0	0	111.5	H29 R189	H29-S139 PolarHBondContact N-O 3.14Å; H29-S139 PolarHBondContact O-N 3.13Å; H29-S139 VanDerWaalsContact O-N 3.1Å; S139-R189 PolarHBondContact OG-NH2 3.39Å
140	L	82.6	Confident	68.9	Low	9 Å²	9	62.4 Å²	62.4	5%	0.047	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	117.4	164.6	171.7	62	0	0	0	105.9	F12 Y14 I26 I28 L129 F142 S186	F12-L140 HydrophobicContact CE1-CD2 4.06Å; F12-L140 HydrophobicContact CZ-CD2 4.32Å; Y14-L140 HydrophobicContact CD1-CD2 4.33Å; Y14-L140 HydrophobicContact CD2-CD2 4.34Å; Y14-L140 HydrophobicContact CG-CD2 4.16Å; I26-L140 HydrophobicContact CG2-CD1 3.82Å; I28-L140 HydrophobicContact CD1-CD1 4.03Å; I28-L140 HydrophobicContact CG1-CD1 3.75Å; L129-L140 HydrophobicContact CD1-CD1 3.97Å; L129-L140 HydrophobicContact CD1-CD2 4.23Å; L140-F142 HydrophobicContact CD1-CE2 3.98Å; L140-F142 HydrophobicContact CD1-CZ 4.3Å; L140-F142 HydrophobicContact CD2-CE2 3.8Å; L140-F142 HydrophobicContact CD2-CZ 4.28Å; L140-F142 HydrophobicContact CG-CD2 4.3Å; L140-F142 HydrophobicContact CG-CE2 3.69Å; L140-F142 HydrophobicContact CG-CZ 4.4Å; L140-S186 WeakPolarHBondContact O-CB 3.41Å
141	E	79.5	Confident	66.5	Low	34 Å²	34	68.8 Å²	68.8	16%	0.159	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	134.4	179.9	-60.9	-172.6	176	0	0	108.7	E27 K143 R189	E27-E141 HydrophobicContact CB-CB 4.45Å; E27-E141 PolarHBondContact N-O 3.04Å; E27-E141 PolarHBondContact O-N 3.41Å; E141-K143 WeakPolarHBondContact OE2-CE 3.42Å; E141-K143 IonicContact OE2-NZ 3.16Å; E141-K143 PolarHBondContact OE2-NZ 3.14Å; E141-R189 IonicContact OE1-CZ 2.91Å; E141-R189 VanDerWaalsContact OE1-CZ 3.27Å; E141-R189 IonicContact OE1-NH1 3.7Å; E141-R189 PolarHBondContact OE1-NH1 2.69Å; E141-R189 IonicContact OE1-NH2 3.78Å; E141-R189 PolarHBondContact OE1-NH2 2.93Å
142	F	78.4	Confident	64	Low	12 Å²	12	75.4 Å²	75.4	5%	0.053	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133.4	170.8	-66.5	-101.5	0	0	0	107.2	Y14 I16 Y25 I26 L129 L140 R184	Y14-F142 AromaticContact CD1-CE2 3.83Å; Y14-F142 HydrophobicContact CD1-CE2 3.83Å; Y14-F142 AromaticContact CD1-CZ 3.74Å; Y14-F142 HydrophobicContact CD1-CZ 3.74Å; Y14-F142 HydrophobicContact CE1-CD2 4.31Å; Y14-F142 AromaticContact CE1-CE2 3.34Å; Y14-F142 HydrophobicContact CE1-CE2 3.34Å; Y14-F142 AromaticContact CE1-CZ 3.61Å; Y14-F142 HydrophobicContact CE1-CZ 3.61Å; Y14-F142 AromaticContact CZ-CE2 4Å; I16-F142 HydrophobicContact CD1-CE1 4.3Å; I16-F142 HydrophobicContact CG1-CE1 4.11Å; I16-F142 HydrophobicContact CG1-CZ 4.29Å; I16-F142 HydrophobicContact CG2-CE1 4.37Å; Y25-F142 CarbonylContact O-C 3.55Å; Y25-F142 VanDerWaalsContact O-CA 3.32Å; Y25-F142 WeakPolarHBondContact O-CA 3.46Å; I26-F142 HydrophobicContact CD1-CE1 4.21Å; I26-F142 HydrophobicContact CG1-CD1 3.99Å; I26-F142 HydrophobicContact CG1-CE1 3.96Å; I26-F142 HydrophobicContact CG2-CD1 4.37Å; I26-F142 HydrophobicContact CG2-CE1 4.1Å; I26-F142 HydrophobicContact CG2-CZ 4.43Å; L129-F142 HydrophobicContact CD1-CE1 4.31Å; L129-F142 HydrophobicContact CD1-CZ 3.78Å; L140-F142 HydrophobicContact CD1-CE2 3.98Å; L140-F142 HydrophobicContact CD1-CZ 4.3Å; L140-F142 HydrophobicContact CD2-CE2 3.8Å; L140-F142 HydrophobicContact CD2-CZ 4.28Å; L140-F142 HydrophobicContact CG-CD2 4.3Å; L140-F142 HydrophobicContact CG-CE2 3.69Å; L140-F142 HydrophobicContact CG-CZ 4.4Å; F142-R184 HydrophobicContact CB-CB 4.03Å; F142-R184 VanDerWaalsContact CB-CD 3.42Å; F142-R184 HydrophobicContact CB-CG 4.35Å; F142-R184 WeakPolarHBondContact O-CB 3.34Å
143	K	69.6	Low	61.6	Low	59 Å²	59	78.1 Å²	78.1	26%	0.257	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	145.6	-176.8	-48.6	178.2	-178.3	169.7	0	109.6	Y25 E27 E141 L183	Y25-K143 WeakPolarHBondContact CB-O 3.41Å; Y25-K143 HydrophobicContact CD1-CB 3.93Å; Y25-K143 HydrophobicContact CD1-CD 3.98Å; Y25-K143 HydrophobicContact CD1-CG 4.07Å; Y25-K143 HydrophobicContact CE1-CD 4.05Å; Y25-K143 PolarHBondContact N-O 2.85Å; Y25-K143 PolarHBondContact O-N 2.85Å; E27-K143 IonicContact OE1-NZ 2.69Å; E27-K143 WeakPolarHBondContact OE2-CE 3.37Å; E27-K143 IonicContact OE2-NZ 2.72Å; E27-K143 PolarHBondContact OE2-NZ 2.89Å; E141-K143 WeakPolarHBondContact OE2-CE 3.42Å; E141-K143 IonicContact OE2-NZ 3.16Å; E141-K143 PolarHBondContact OE2-NZ 3.14Å; K143-L183 HydrophobicContact CB-CD2 4.28Å
144	D	61.9	Low	59.2	Low	37 Å²	37	83.5 Å²	83.5	20%	0.198	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	95	-167.5	-57.1	-3.5	0	0	0	106.4	Y146 Y147 R184	D144-Y146 PolarHBondContact O-N 3.34Å; D144-Y147 PolarHBondContact O-N 2.99Å; D144-R184 VanDerWaalsContact CG-CZ 3.42Å; D144-R184 VanDerWaalsContact CG-NE 3.31Å; D144-R184 VanDerWaalsContact OD1-CD 3.29Å; D144-R184 WeakPolarHBondContact OD1-CD 3.42Å; D144-R184 IonicContact OD1-CZ 3.82Å; D144-R184 IonicContact OD1-NE 2.65Å; D144-R184 PolarHBondContact OD1-NE 2.81Å; D144-R184 IonicContact OD1-NH1 3.81Å; D144-R184 PolarHBondContact OD1-NH1 3.3Å; D144-R184 IonicContact OD1-NH2 3.51Å; D144-R184 IonicContact OD2-CZ 3.28Å; D144-R184 IonicContact OD2-NE 3.9Å; D144-R184 PolarHBondContact OD2-NE 2.85Å; D144-R184 IonicContact OD2-NH2 3Å
145	M	50.7	Low	56.7	Low	85 Å²	85	86.4 Å²	86.4	42%	0.419	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-8.4	-168.8	-61.9	-171.1	68.3	0	0	113.6	G23 H99	G23-M145 VanDerWaalsContact O-CB 3.3Å; G23-M145 WeakPolarHBondContact O-CB 3.12Å; G23-M145 WeakPolarHBondContact O-CG 3.36Å; G23-M145 PolarHBondContact O-N 2.84Å; H99-M145 PolarHBondContact ND1-SD 3.02Å
146	Y	41.5	Very low	54.3	Low	153 Å²	153	90.7 Å²	90.7	60%	0.6	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	28.5	179.9	-79.1	-60.4	0	0	0	115.3	D22 D144	D22-Y146 VanDerWaalsContact O-CD2 3.27Å; D22-Y146 WeakPolarHBondContact O-CD2 3.39Å; D144-Y146 PolarHBondContact O-N 3.34Å
147	Y	37.5	Very low	51.7	Low	202 Å²	202	92.5 Å²	92.5	79%	0.792	45%	0.453	S	S	*	.	S	Bend	trans	-127.3	3.2	163.4	-76.2	-70.2	0	0	0	116.3	D144 E149	D144-Y147 PolarHBondContact O-N 2.99Å; Y147-E149 VanDerWaalsContact C-N 3.29Å; Y147-E149 PolarHBondContact O-N 2.96Å; Y147-E149 VanDerWaalsContact O-N 3.13Å
148	D	34.3	Very low	49.1	Very low	86 Å²	86	99.3 Å²	99.3	46%	0.46	49%	0.487	S	S	.	.			trans	-86.6	56.5	171.4	-79.7	-48.3	0	0	0	113.1	E150 E151 M152	D148-E150 PolarHBondContact O-N 3.09Å; D148-E150 VanDerWaalsContact O-N 3.14Å; D148-E151 HydrophobicContact CB-CB 4.37Å; D148-E151 PolarHBondContact O-N 2.74Å; D148-M152 PolarHBondContact O-N 3.13Å
149	E	37.1	Very low	46.6	Very low	132 Å²	132	100.1 Å²	100.1	62%	0.617	50%	0.5	S	S	*	.	H	α-helix	trans	-59.6	-20.5	170.5	-67.6	-164	148.5	0	0	112.6	Y147 N153	Y147-E149 VanDerWaalsContact C-N 3.29Å; Y147-E149 PolarHBondContact O-N 2.96Å; Y147-E149 VanDerWaalsContact O-N 3.13Å; E149-N153 PolarHBondContact O-ND2 2.62Å
150	E	40.1	Very low	44.1	Very low	106 Å²	106	104.9 Å²	104.9	50%	0.495	53%	0.533	S	S	.	.	H	α-helix	trans	-88.6	-19	-178.5	-61.9	-173.9	-174.6	0	0	113.2	D148 N154 R819	D148-E150 PolarHBondContact O-N 3.09Å; D148-E150 VanDerWaalsContact O-N 3.14Å; E150-N154 PolarHBondContact O-ND2 3.15Å; E150-R819 WeakPolarHBondContact OE1-CD 3.35Å; E150-R819 IonicContact OE1-CZ 2.74Å; E150-R819 IonicContact OE1-NE 3.27Å; E150-R819 IonicContact OE1-NH1 3.66Å; E150-R819 PolarHBondContact OE1-NH1 3.32Å
151	E	37.5	Very low	41.4	Very low	135 Å²	135	108.8 Å²	108.8	63%	0.631	57%	0.567	S	S	*	*	H	α-helix	trans	-90.3	-37.9	168.9	-66.9	-142.2	146.9	0	0	112.8	D148 N153 N154	D148-E151 HydrophobicContact CB-CB 4.37Å; D148-E151 PolarHBondContact O-N 2.74Å; E151-N153 VanDerWaalsContact C-N 3.28Å; E151-N153 PolarHBondContact O-N 2.81Å; E151-N154 PolarHBondContact O-N 2.88Å
152	M	33.3	Very low	39.1	Very low	141 Å²	141	114.6 Å²	114.6	70%	0.695	60%	0.597	S	S	*	*	H	α-helix	trans	-60.4	-35.9	178.6	-83.8	-69.5	-177.3	0	0	113	D148 N154	D148-M152 PolarHBondContact O-N 3.13Å; M152-N154 VanDerWaalsContact C-N 3.28Å; M152-N154 PolarHBondContact O-N 3.04Å
153	N	34.5	Very low	36.8	Very low	120 Å²	120	119.9 Å²	119.9	64%	0.642	63%	0.626	S	S	*	*	H	α-helix	trans	-75	-10.4	177.1	-80.5	-61.8	0	0	0	114.6	E149 E151	E149-N153 PolarHBondContact O-ND2 2.62Å; E151-N153 VanDerWaalsContact C-N 3.28Å; E151-N153 PolarHBondContact O-N 2.81Å
154	N	32.7	Very low	34.9	Very low	117 Å²	117	123.8 Å²	123.8	63%	0.626	65%	0.65	S	S	*	*	H	α-helix	trans	-94.7	-17.4	179.7	-84.5	-65.6	0	0	0	113.7	E150 E151 M152	E150-N154 PolarHBondContact O-ND2 3.15Å; E151-N154 PolarHBondContact O-N 2.88Å; M152-N154 VanDerWaalsContact C-N 3.28Å; M152-N154 PolarHBondContact O-N 3.04Å
155	N	32.1	Very low	33.4	Very low	136 Å²	136	126.2 Å²	126.2	73%	0.727	67%	0.669	S	S	*	*	H	α-helix	trans	-98.5	-6.3	-178.7	-78.5	-49.6	0	0	0	115.1	N157	N155-N157 PolarHBondContact O-N 3.29Å
156	T	30.3	Very low	32.4	Very low	109 Å²	109	129.6 Å²	129.6	67%	0.669	69%	0.689	S	S	*	*			trans	-74.7	27.5	175.8	40.3	0	0	0	0	114.5	M158	T156-M158 VanDerWaalsContact C-N 3.32Å; T156-M158 PolarHBondContact O-N 2.65Å
157	N	28.6	Very low	31.8	Very low	138 Å²	138	126.9 Å²	126.9	74%	0.738	69%	0.693	S	S	*	*			trans	-88.3	19.8	177.5	-94.1	-61.7	0	0	0	114.4	N155	N155-N157 PolarHBondContact O-N 3.29Å
158	M	27.7	Very low	31.4	Very low	176 Å²	176	125.3 Å²	125.3	87%	0.867	70%	0.696	S	S	*	*	S	Bend	trans	-148.1	72.1	175.9	-83.3	-63.1	179.5	0	0	114.2	T156	T156-M158 VanDerWaalsContact C-N 3.32Å; T156-M158 PolarHBondContact O-N 2.65Å
159	S	26.9	Very low	31.3	Very low	107 Å²	107	132.2 Å²	132.2	75%	0.748	72%	0.716	S	S	*	*	S	Bend	trans	165.6	151	139.5	44.8	0	0	0	0	112.2
160	S	29.4	Very low	31.1	Very low	108 Å²	108	134.1 Å²	134.1	76%	0.755	73%	0.727	S	S	*	*			trans	32.4	90.3	169.3	51.9	0	0	0	0	116
161	A	26.9	Very low	30.7	Very low	91 Å²	91	134 Å²	134	75%	0.752	73%	0.73	S	S	*	*				47.5	98.2	55.6	0	0	0	0	0	113.9
162	I	30.8	Very low	30.4	Very low	156 Å²	156	130 Å²	130	80%	0.8	71%	0.712	S	S	*	*				-178.3	118.9	126.6	-92	155.7	0	0	0	109.9
163	N	29.8	Very low	30.6	Very low	123 Å²	123	129.7 Å²	129.7	66%	0.658	72%	0.719	S	S	*	*			trans	59.7	118.3	151.5	-63.6	30.3	0	0	0	122.6
164	D	29.4	Very low	30.5	Very low	142 Å²	142	132.6 Å²	132.6	76%	0.759	73%	0.729	S	S	*	*				64.9	136.8	129.4	-48.5	-29.8	0	0	0	121.7
165	S	30.6	Very low	30.5	Very low	87 Å²	87	132.1 Å²	132.1	61%	0.608	74%	0.741	S	S	*	*			cis	-168.2	144.6	-18.8	57.2	0	0	0	0	110.4
166	N	29.9	Very low	30.4	Very low	157 Å²	157	127.4 Å²	127.4	84%	0.84	73%	0.725	S	S	*	*			trans	67.1	145.9	171.7	-46.1	-66	0	0	0	115.5
167	S	29.5	Very low	30.4	Very low	96 Å²	96	128.8 Å²	128.8	67%	0.671	72%	0.722	S	S	*	*			cis	-153.9	102.8	-7.9	159	0	0	0	0	109.7
168	I	28.3	Very low	30.8	Very low	169 Å²	169	126.5 Å²	126.5	87%	0.867	71%	0.712	S	S	*	*			trans	-99.1	135	167.1	-61.3	174.4	0	0	0	108.3
169	R	33.1	Very low	31	Very low	230 Å²	230	123.8 Å²	123.8	87%	0.868	69%	0.693	S	S	*	*			trans	-123	141.6	169.5	-75.2	-170.1	174.3	-163.9	-1.3	110
170	M	32	Very low	31.7	Very low	172 Å²	172	124.2 Å²	124.2	85%	0.847	69%	0.691	S	S	*	*			trans	-90.6	158.6	178.9	-67	176.9	161.2	0	0	111.4
171	D	31.6	Very low	32	Very low	104 Å²	104	122.3 Å²	122.3	56%	0.556	67%	0.672	S	S	*	*			trans	169.7	126.7	148	-84.3	-10.5	0	0	0	104.5	N816 P817	D171-N816 CarbonylContact C-O 3.58Å; D171-P817 WeakPolarHBondContact O-CD 3.49Å
172	D	32.2	Very low	32.2	Very low	50 Å²	50	121.1 Å²	121.1	27%	0.267	65%	0.651	S	S	.	*			cis	-151.4	137.1	4.2	-68.1	-86.6	0	0	0	113.1	Y815 N816	D172-Y815 WeakPolarHBondContact OD2-CA 3.44Å; D172-Y815 WeakPolarHBondContact OD2-CB 3.48Å; D172-Y815 WeakPolarHBondContact OD2-CD1 3.45Å; D172-N816 PolarHBondContact N-O 2.78Å; D172-N816 VanDerWaalsContact OD2-C 3.23Å; D172-N816 WeakPolarHBondContact OD2-CA 3.15Å; D172-N816 PolarHBondContact OD2-N 2.75Å; D172-N816 VanDerWaalsContact OD2-N 3.09Å
173	T	37.2	Very low	32.5	Very low	136 Å²	136	117.8 Å²	117.8	83%	0.834	63%	0.634	S	S	*	*			trans	-114.2	127.9	163.6	45.8	0	0	0	0	111.5
174	Q	32.6	Very low	32.7	Very low	180 Å²	180	115.2 Å²	115.2	84%	0.841	62%	0.615	S	S	*	*			trans	-110.7	104.7	-176.7	-162.8	169.5	104.1	0	0	111.9
175	A	31.6	Very low	33	Very low	107 Å²	107	112.2 Å²	112.2	88%	0.884	60%	0.597	S	S	*	*			trans	-75.3	147.1	-171.7	0	0	0	0	0	114.6
176	G	30	Very low	32.9	Very low	38 Å²	38	109.1 Å²	109.1	39%	0.392	58%	0.575	S	S	.	*	S	Bend	trans	163.6	-18.5	168.1	0	0	0	0	0	116.9	T199	G176-T199 PolarHBondContact O-OG1 2.9Å
177	F	31.3	Very low	33.3	Very low	137 Å²	137	103.6 Å²	103.6	60%	0.601	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140	143.4	178.2	-63.9	-92.9	0	0	0	109.5	M196 P198	F177-M196 HydrophobicContact CB-CE 3.94Å; F177-M196 HydrophobicContact CD1-CE 4.43Å; F177-M196 HydrophobicContact CG-CE 4.4Å; F177-P198 HydrophobicContact CD1-CB 4.16Å; F177-P198 HydrophobicContact CE1-CB 3.73Å; F177-P198 HydrophobicContact CZ-CB 4.44Å
178	V	35.9	Very low	33.7	Very low	90 Å²	90	103.4 Å²	103.4	55%	0.545	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126	170.2	178.8	0	0	0	0	107.4	T199	V178-T199 HydrophobicContact CG2-CG2 4.08Å
179	R	33.1	Very low	33.9	Very low	119 Å²	119	101.3 Å²	101.3	45%	0.449	52%	0.52	S	S	.	.			trans	-82	131.8	168.4	-128.2	-170.2	-63.5	157.3	8.3	107.4	N181 M196 V820 D821 G822	R179-N181 WeakPolarHBondContact CD-OD1 3.23Å; R179-M196 HydrophobicContact CG-CE 4.43Å; R179-M196 HydrophobicContact CG-SD 3.82Å; R179-V820 PolarHBondContact NH1-O 2.89Å; R179-V820 VanDerWaalsContact NH1-O 3.09Å; R179-V820 PolarHBondContact NH2-O 2.84Å; R179-D821 VanDerWaalsContact NH1-C 3.34Å; R179-D821 PolarHBondContact NH1-O 2.85Å; R179-G822 WeakPolarHBondContact CD-O 3.35Å; R179-G822 PolarHBondContact NH1-O 2.74Å
180	V	40.1	Very low	34	Very low	117 Å²	117	101.1 Å²	101.1	71%	0.709	52%	0.52	S	S	*	.			trans	-92.9	99.1	166.2	-178.7	0	0	0	0	105.5
181	N	37.2	Very low	34.2	Very low	67 Å²	67	96.5 Å²	96.5	36%	0.358	50%	0.499	S	S	.	.			trans	-75.8	139.1	-176.9	-90.5	9	0	0	0	111.1	R179 L183 D821	R179-N181 WeakPolarHBondContact CD-OD1 3.23Å; N181-L183 PolarHBondContact O-N 3.47Å; N181-D821 PolarHBondContact ND2-O 3.09Å
182	E	31.1	Very low	34.5	Very low	66 Å²	66	97.7 Å²	97.7	31%	0.308	51%	0.505	S	S	.	.			trans	-78.8	102.8	167.7	-76.3	-177.7	165	0	0	110.6	I824 Y825	E182-I824 HydrophobicContact CG-CD1 3.94Å; E182-I824 HydrophobicContact CG-CG1 3.88Å; E182-I824 VanDerWaalsContact OE2-CA 3.27Å; E182-I824 WeakPolarHBondContact OE2-CA 3.35Å; E182-Y825 WeakPolarHBondContact OE2-CB 3.44Å; E182-Y825 PolarHBondContact OE2-N 3.17Å
183	L	35.1	Very low	34.8	Very low	87 Å²	87	99.9 Å²	99.9	46%	0.455	52%	0.522	S	S	.	.			trans	-76.1	149.6	151.1	-85.1	77.4	0	0	0	109.3	K143 N181	K143-L183 HydrophobicContact CB-CD2 4.28Å; N181-L183 PolarHBondContact O-N 3.47Å
184	R	34.5	Very low	34.8	Very low	69 Å²	69	96.3 Å²	96.3	26%	0.26	50%	0.501	S	S	.	.	S	Bend	trans	8.7	116.5	-174.1	-61.2	175.1	162.1	176.8	-19.4	116.6	D24 F142 D144 S186	D24-R184 IonicContact OD1-NH1 3.82Å; D24-R184 IonicContact OD1-NH2 2.75Å; D24-R184 IonicContact OD2-CZ 3.48Å; D24-R184 VanDerWaalsContact OD2-CZ 3.29Å; D24-R184 IonicContact OD2-NH1 2.74Å; D24-R184 PolarHBondContact OD2-NH1 2.77Å; D24-R184 IonicContact OD2-NH2 3.65Å; D24-R184 PolarHBondContact OD2-NH2 3.06Å; F142-R184 HydrophobicContact CB-CB 4.03Å; F142-R184 VanDerWaalsContact CB-CD 3.42Å; F142-R184 HydrophobicContact CB-CG 4.35Å; F142-R184 WeakPolarHBondContact O-CB 3.34Å; D144-R184 VanDerWaalsContact CG-CZ 3.42Å; D144-R184 VanDerWaalsContact CG-NE 3.31Å; D144-R184 VanDerWaalsContact OD1-CD 3.29Å; D144-R184 WeakPolarHBondContact OD1-CD 3.42Å; D144-R184 IonicContact OD1-CZ 3.82Å; D144-R184 IonicContact OD1-NE 2.65Å; D144-R184 PolarHBondContact OD1-NE 2.81Å; D144-R184 IonicContact OD1-NH1 3.81Å; D144-R184 PolarHBondContact OD1-NH1 3.3Å; D144-R184 IonicContact OD1-NH2 3.51Å; D144-R184 IonicContact OD2-CZ 3.28Å; D144-R184 IonicContact OD2-NE 3.9Å; D144-R184 PolarHBondContact OD2-NE 2.85Å; D144-R184 IonicContact OD2-NH2 3Å; R184-S186 PolarHBondContact O-N 3.2Å
185	Q	35.3	Very low	34.9	Very low	79 Å²	79	93.7 Å²	93.7	37%	0.369	50%	0.497	S	S	.	.			trans	-48.8	95.5	-172.6	-63	175.2	25.6	0	0	114.7	S187 Y825	Q185-S187 PolarHBondContact O-N 3.25Å; Q185-S187 VanDerWaalsContact O-N 3.09Å; Q185-Y825 HydrophobicContact CG-CD2 4.16Å; Q185-Y825 HydrophobicContact CG-CG 4.1Å; Q185-Y825 VanDerWaalsContact NE2-CE1 3.27Å; Q185-Y825 VanDerWaalsContact NE2-CG 3.28Å; Q185-Y825 VanDerWaalsContact NE2-CZ 3.35Å
186	S	29.2	Very low	34.9	Very low	22 Å²	22	93 Å²	93	15%	0.154	48%	0.476	C	S	.	.			trans	-59.7	115.1	169.2	62.4	0	0	0	0	110.1	L140 R184 I188 Y828	L140-S186 WeakPolarHBondContact O-CB 3.41Å; R184-S186 PolarHBondContact O-N 3.2Å; S186-I188 PolarHBondContact O-N 3.27Å; S186-Y828 PolarHBondContact O-OH 3.29Å
187	S	37.5	Very low	35	Very low	40 Å²	40	95.2 Å²	95.2	28%	0.28	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-7.4	-175.7	62.4	0	0	0	0	113.8	Q185 R189 Y828	Q185-S187 PolarHBondContact O-N 3.25Å; Q185-S187 VanDerWaalsContact O-N 3.09Å; S187-R189 PolarHBondContact O-N 2.62Å; S187-Y828 VanDerWaalsContact C-OH 3.23Å; S187-Y828 VanDerWaalsContact CA-OH 3.28Å; S187-Y828 WeakPolarHBondContact CA-OH 3.43Å; S187-Y828 PolarHBondContact O-OH 3.13Å; S187-Y828 VanDerWaalsContact O-OH 3.13Å
188	I	37.9	Very low	35	Very low	93 Å²	93	92.2 Å²	92.2	48%	0.477	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-41.3	-179.8	-46.3	164.4	0	0	0	114.5	S186	S186-I188 PolarHBondContact O-N 3.27Å
189	R	32.4	Very low	34.8	Very low	125 Å²	125	92 Å²	92	47%	0.472	48%	0.476	S	S	.	.	S	Bend	trans	-106.2	145	-147.3	-63.1	-174.3	-179.9	149.9	10.1	113.4	S139 E141 S187 Y828	S139-R189 PolarHBondContact OG-NH2 3.39Å; E141-R189 IonicContact OE1-CZ 2.91Å; E141-R189 VanDerWaalsContact OE1-CZ 3.27Å; E141-R189 IonicContact OE1-NH1 3.7Å; E141-R189 PolarHBondContact OE1-NH1 2.69Å; E141-R189 IonicContact OE1-NH2 3.78Å; E141-R189 PolarHBondContact OE1-NH2 2.93Å; S187-R189 PolarHBondContact O-N 2.62Å; R189-Y828 PolarHBondContact O-OH 2.96Å
190	R	35.4	Very low	34.6	Very low	225 Å²	225	97.5 Å²	97.5	85%	0.849	50%	0.496	S	S	*	.			trans	-72.6	143.2	171.3	-65.1	-178.6	-178.1	126.3	7.7	109.8	D192	R190-D192 PolarHBondContact O-N 2.88Å
191	N	36.2	Very low	34.3	Very low	76 Å²	76	98.2 Å²	98.2	41%	0.406	50%	0.501	S	S	.	.			trans	-71.4	67.2	-177.2	-33.6	14	0	0	0	111.8	P826 S827	N191-P826 PolarHBondContact ND2-O 3.4Å; N191-S827 WeakPolarHBondContact ND2-CB 3.47Å; N191-S827 PolarHBondContact ND2-N 2.9Å; N191-S827 PolarHBondContact ND2-OG 3.47Å; N191-S827 WeakPolarHBondContact OD1-CB 3.49Å; N191-S827 PolarHBondContact OD1-OG 3.13Å
192	D	39.6	Very low	33.8	Very low	128 Å²	128	99.2 Å²	99.2	68%	0.684	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-91.9	130.2	166.9	-80.8	-46.8	0	0	0	109.1	R190	R190-D192 PolarHBondContact O-N 2.88Å
193	P	37.2	Very low	33.6	Very low	97 Å²	97	100.3 Å²	100.3	63%	0.63	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-68	163	-175.7	27.3	-35.5	0	0	0	113.6	V195	P193-V195 PolarHBondContact O-N 3.45Å
194	P	37.7	Very low	33.4	Very low	60 Å²	60	104.7 Å²	104.7	39%	0.39	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-62.7	128.2	-167.8	18.3	-27.3	0	0	0	112.3	M196 I824	P194-M196 VanDerWaalsContact C-N 3.32Å; P194-M196 PolarHBondContact O-N 3.33Å; P194-I824 HydrophobicContact CB-CD1 3.53Å; P194-I824 HydrophobicContact CB-CG1 3.85Å; P194-I824 HydrophobicContact CG-CB 4.11Å; P194-I824 HydrophobicContact CG-CD1 4.02Å; P194-I824 HydrophobicContact CG-CG1 3.84Å
195	V	34	Very low	33.2	Very low	126 Å²	126	108.3 Å²	108.3	76%	0.764	58%	0.582	S	S	*	*			trans	-76.1	86.7	172.1	-174.8	0	0	0	0	108.7	P193 V197	P193-V195 PolarHBondContact O-N 3.45Å; V195-V197 HydrophobicContact CG1-CG2 4.17Å; V195-V197 WeakPolarHBondContact O-CG2 3.28Å; V195-V197 PolarHBondContact O-N 2.96Å
196	M	31.4	Very low	32.9	Very low	92 Å²	92	109.2 Å²	109.2	45%	0.453	59%	0.589	S	S	.	*			trans	-62.4	104.2	172.6	-72	-64.7	-71.4	0	0	110.6	F177 R179 P194 P198	F177-M196 HydrophobicContact CB-CE 3.94Å; F177-M196 HydrophobicContact CD1-CE 4.43Å; F177-M196 HydrophobicContact CG-CE 4.4Å; R179-M196 HydrophobicContact CG-CE 4.43Å; R179-M196 HydrophobicContact CG-SD 3.82Å; P194-M196 VanDerWaalsContact C-N 3.32Å; P194-M196 PolarHBondContact O-N 3.33Å; M196-P198 WeakPolarHBondContact O-CD 3.41Å
197	V	33.7	Very low	33	Very low	85 Å²	85	115.7 Å²	115.7	52%	0.515	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.7	119.3	-179.4	-175.9	0	0	0	0	110.7	V195 T199	V195-V197 HydrophobicContact CG1-CG2 4.17Å; V195-V197 WeakPolarHBondContact O-CG2 3.28Å; V195-V197 PolarHBondContact O-N 2.96Å; V197-T199 PolarHBondContact O-N 3.39Å
198	P	30	Very low	32.7	Very low	74 Å²	74	121.8 Å²	121.8	48%	0.481	64%	0.638	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-75.7	118.8	172.1	27.7	-30.8	0	0	0	111.1	F177 M196 R200	F177-P198 HydrophobicContact CD1-CB 4.16Å; F177-P198 HydrophobicContact CE1-CB 3.73Å; F177-P198 HydrophobicContact CZ-CB 4.44Å; M196-P198 WeakPolarHBondContact O-CD 3.41Å; P198-R200 VanDerWaalsContact C-N 3.28Å; P198-R200 PolarHBondContact O-N 2.96Å
199	T	32.9	Very low	32.2	Very low	86 Å²	86	122 Å²	122	53%	0.528	65%	0.648	S	S	.	*			trans	-78.8	63.3	-173.8	40.8	0	0	0	0	113.6	G176 V178 V197 T201	G176-T199 PolarHBondContact O-OG1 2.9Å; V178-T199 HydrophobicContact CG2-CG2 4.08Å; V197-T199 PolarHBondContact O-N 3.39Å; T199-T201 PolarHBondContact O-N 2.96Å; T199-T201 VanDerWaalsContact O-N 3.14Å
200	R	28.4	Very low	32.1	Very low	234 Å²	234	122.6 Å²	122.6	88%	0.883	66%	0.659	S	S	*	*			trans	-82.9	74.4	178.3	-85.1	-166.3	167.4	-156.7	-0.7	114.7	P198	P198-R200 VanDerWaalsContact C-N 3.28Å; P198-R200 PolarHBondContact O-N 2.96Å
201	T	33.5	Very low	31.9	Very low	131 Å²	131	120.2 Å²	120.2	80%	0.804	66%	0.655	S	S	*	*			trans	-148.1	66.9	155.2	43.6	0	0	0	0	113.5	T199 S203	T199-T201 PolarHBondContact O-N 2.96Å; T199-T201 VanDerWaalsContact O-N 3.14Å; T201-S203 PolarHBondContact O-N 3.39Å
202	G	26.3	Very low	31.6	Very low	89 Å²	89	122 Å²	122	92%	0.918	67%	0.673	S	S	*	*			trans	-70.9	108.9	156.8	0	0	0	0	0	109.8
203	S	27.1	Very low	31.2	Very low	89 Å²	89	125.1 Å²	125.1	62%	0.622	68%	0.681	S	S	*	*			trans	-163.1	115.2	-179.2	156.5	0	0	0	0	112.5	T201	T201-S203 PolarHBondContact O-N 3.39Å
204	K	31.9	Very low	30.9	Very low	178 Å²	178	127 Å²	127	77%	0.774	69%	0.686	S	S	*	*			trans	82	108.5	175.6	-55.9	173.3	-173.3	175.9	0	112.7
205	L	28.8	Very low	30.6	Very low	146 Å²	146	129.4 Å²	129.4	76%	0.764	70%	0.704	S	S	*	*				80.3	134.5	89	-71.9	163.6	0	0	0	110.1
206	D	30.1	Very low	30.4	Very low	98 Å²	98	130.1 Å²	130.1	52%	0.524	70%	0.704	S	S	.	*			cis	-158.8	154.9	27.8	-144.1	-21.3	0	0	0	112.2
207	K	31.8	Very low	30.4	Very low	157 Å²	157	133.3 Å²	133.3	68%	0.683	72%	0.721	S	S	*	*			trans	49.9	136.6	160.9	-65.7	134.9	-168.8	161.4	0	119
208	Q	30.5	Very low	30.2	Very low	168 Å²	168	137.4 Å²	137.4	79%	0.785	74%	0.735	S	S	*	*			cis	-159.7	142.8	15.5	-119.3	160.5	20.3	0	0	111.7
209	S	26.7	Very low	30.2	Very low	97 Å²	97	139.9 Å²	139.9	68%	0.678	75%	0.748	S	S	*	*			trans	13	136.5	150.5	65.4	0	0	0	0	120.5
210	I	31.4	Very low	30.1	Very low	138 Å²	138	142.8 Å²	142.8	71%	0.708	77%	0.767	S	S	*	*				-161.4	126.7	69.5	-90.2	174.5	0	0	0	113.7
211	K	31	Very low	30.1	Very low	176 Å²	176	135.2 Å²	135.2	77%	0.765	75%	0.754	S	S	*	*			trans	44.9	109.9	144	-53.5	174.3	-169.1	170.1	0	122.9
212	S	29.3	Very low	29.7	Very low	113 Å²	113	138.7 Å²	138.7	79%	0.79	75%	0.753	S	S	*	*				74.4	157.2	125.3	76.5	0	0	0	0	119.4
213	K	31.6	Very low	29.9	Very low	194 Å²	194	143.7 Å²	143.7	84%	0.843	75%	0.749	S	S	*	*			cis	-154.6	154.6	19.9	-159	177.3	-179.2	-172.9	0	113.4
214	D	30.6	Very low	29.9	Very low	136 Å²	136	145.4 Å²	145.4	73%	0.727	76%	0.756	S	S	*	*			trans	-84.3	148.7	-174	-33.2	-108.9	0	0	0	115.5
215	S	32.1	Very low	29.6	Very low	111 Å²	111	141.9 Å²	141.9	78%	0.776	75%	0.753	S	S	*	*			trans	-176.5	118.8	133.8	45.4	0	0	0	0	109.7
216	N	29.9	Very low	29.5	Very low	141 Å²	141	142.1 Å²	142.1	75%	0.754	76%	0.755	S	S	*	*				80	98.3	58.2	-69.7	-22.3	0	0	0	114.6
217	L	30.7	Very low	29.3	Very low	158 Å²	158	141 Å²	141	83%	0.827	75%	0.75	S	S	*	*				179.7	108.2	122.8	-114.6	70.3	0	0	0	107.1
218	E	28.9	Very low	29.2	Very low	171 Å²	171	138.4 Å²	138.4	80%	0.799	74%	0.743	S	S	*	*				47.5	98.8	87.8	-67.7	-156.3	127.2	0	0	113.6
219	V	30.5	Very low	29.1	Very low	126 Å²	126	134.7 Å²	134.7	76%	0.764	74%	0.735	S	S	*	*				77.4	107	77	170.6	0	0	0	0	113.3
220	T	31.9	Very low	29.3	Very low	148 Å²	148	139.6 Å²	139.6	91%	0.908	74%	0.739	S	S	*	*				-166.2	154.2	128	12.8	0	0	0	0	109.4
221	A	27.8	Very low	29.2	Very low	75 Å²	75	137.3 Å²	137.3	62%	0.62	74%	0.74	S	S	*	*			trans	-146.6	175.9	-168.7	0	0	0	0	0	112.3
222	W	25.8	Very low	29.1	Very low	204 Å²	204	138.5 Å²	138.5	77%	0.773	74%	0.741	S	S	*	*			trans	70.9	134	177.9	-43.6	85.8	0	0	0	113.5	N809	W222-N809 WeakPolarHBondContact CH2-OD1 3.32Å; W222-N809 WeakPolarHBondContact CZ2-OD1 3.43Å
223	K	30	Very low	29.2	Very low	194 Å²	194	139.7 Å²	139.7	84%	0.843	74%	0.738	S	S	*	*			cis	-143.9	162.3	34.2	-75.3	175.1	178.1	171.6	0	114.8
224	T	26.1	Very low	29	Very low	124 Å²	124	136.2 Å²	136.2	76%	0.761	73%	0.729	S	S	*	*			trans	-47.2	131.4	164.5	51.1	0	0	0	0	114.8
225	S	25.8	Very low	29.1	Very low	104 Å²	104	135.2 Å²	135.2	73%	0.727	73%	0.727	S	S	*	*				160.2	132.6	111.5	62.5	0	0	0	0	112.8
226	N	26	Very low	29	Very low	151 Å²	151	136.5 Å²	136.5	81%	0.807	73%	0.726	S	S	*	*			trans	42.8	145.5	152.3	-59.5	6.1	0	0	0	122
227	D	27.6	Very low	28.9	Very low	75 Å²	75	139.2 Å²	139.2	40%	0.401	73%	0.727	S	S	.	*			trans	61.8	109.3	163.4	-136.1	27.5	0	0	0	113.9	K695 Q697	D227-K695 IonicContact OD2-NZ 3.85Å; D227-K695 PolarHBondContact OD2-NZ 2.77Å; D227-Q697 VanDerWaalsContact OD1-CG 3.31Å; D227-Q697 WeakPolarHBondContact OD1-CG 3.38Å
228	L	29.3	Very low	29	Very low	103 Å²	103	141.5 Å²	141.5	54%	0.539	73%	0.73	S	S	.	*				-167.1	174.8	65.8	-101.7	169.1	0	0	0	117.6	K695	L228-K695 HydrophobicContact CD2-CD 4.3Å; L228-K695 VanDerWaalsContact CD2-CE 3.46Å; L228-K695 VanDerWaalsContact CD2-NZ 3.34Å
229	S	29.2	Very low	29	Very low	89 Å²	89	139.3 Å²	139.3	62%	0.622	73%	0.728	S	S	*	*			trans	-35.6	137.3	170.9	51.9	0	0	0	0	119.1
230	R	29.6	Very low	29	Very low	201 Å²	201	138 Å²	138	76%	0.758	72%	0.724	S	S	*	*			trans	18.5	155.4	132.7	-63.7	-175.7	179	-166.3	0.9	120.9
231	A	29.5	Very low	28.9	Very low	89 Å²	89	136.6 Å²	136.6	74%	0.736	72%	0.716	S	S	*	*			trans	108.6	144.1	152.6	0	0	0	0	0	115.5
232	Y	30.1	Very low	29	Very low	201 Å²	201	139.7 Å²	139.7	79%	0.788	72%	0.721	S	S	*	*			cis	-166.3	146.9	-19.6	-129.5	-102.2	0	0	0	107.8
233	L	30.1	Very low	29.2	Very low	139 Å²	139	134.9 Å²	134.9	73%	0.728	71%	0.71	S	S	*	*			trans	58.2	175.5	162.4	-75.3	167.8	0	0	0	116.9
234	D	27.9	Very low	29.2	Very low	120 Å²	120	134.8 Å²	134.8	64%	0.642	71%	0.705	S	S	*	*			cis	-151.7	176.7	1.1	-137.7	-36.1	0	0	0	112.6
235	V	31.8	Very low	29.4	Very low	115 Å²	115	135.7 Å²	135.7	70%	0.697	71%	0.705	S	S	*	*			trans	66	131.1	149.6	162.3	0	0	0	0	118.1
236	D	30.4	Very low	29.4	Very low	139 Å²	139	136.4 Å²	136.4	74%	0.743	71%	0.71	S	S	*	*			cis	-156.1	175.4	-3.8	-132.8	-31.1	0	0	0	115.3
237	Y	27.8	Very low	29.4	Very low	198 Å²	198	133.8 Å²	133.8	78%	0.776	71%	0.709	S	S	*	*			trans	-69.8	157.3	-177.5	-100.5	-105.7	0	0	0	117.5	V239	Y237-V239 HydrophobicContact CD1-CG2 4.44Å
238	K	32.2	Very low	29.4	Very low	205 Å²	205	134.2 Å²	134.2	89%	0.891	72%	0.723	S	S	*	*				-166.1	149.6	107.2	-103.7	174.9	-173.1	-175.6	0	114.5
239	V	29	Very low	29.5	Very low	126 Å²	126	138.5 Å²	138.5	76%	0.764	74%	0.74	S	S	*	*			trans	-143.3	146	-176	174	0	0	0	0	109.6	Y237	Y237-V239 HydrophobicContact CD1-CG2 4.44Å
240	S	31.8	Very low	29.3	Very low	98 Å²	98	138.4 Å²	138.4	69%	0.685	74%	0.739	S	S	*	*			trans	-159.1	106.9	166.4	53.9	0	0	0	0	109.2
241	T	30.1	Very low	29.2	Very low	119 Å²	119	138.8 Å²	138.8	73%	0.73	74%	0.742	S	S	*	*				64	139.4	96.9	62.9	0	0	0	0	114.5
242	L	29.7	Very low	29	Very low	139 Å²	139	144.5 Å²	144.5	73%	0.728	75%	0.745	S	S	*	*			cis	-165.4	154.3	16.8	-153.2	70.7	0	0	0	110.4
243	D	29.9	Very low	28.9	Very low	103 Å²	103	140.6 Å²	140.6	55%	0.551	74%	0.738	S	S	*	*			trans	50.8	154.3	141.8	-78.6	7.9	0	0	0	122.4
244	R	28.8	Very low	29	Very low	192 Å²	192	139.7 Å²	139.7	73%	0.725	74%	0.743	S	S	*	*			cis	-167	171.5	1.6	-126.9	171.7	173.4	126.7	-4.7	112.7
245	N	30.4	Very low	29.1	Very low	143 Å²	143	141 Å²	141	77%	0.765	75%	0.748	S	S	*	*			trans	76.9	103.3	150.6	-64.6	-5.8	0	0	0	120.4
246	S	26.8	Very low	29	Very low	120 Å²	120	142.1 Å²	142.1	84%	0.839	75%	0.75	S	S	*	*			trans	-59.7	162.1	157.8	-21.6	0	0	0	0	114
247	A	26.2	Very low	29	Very low	95 Å²	95	144.6 Å²	144.6	79%	0.785	76%	0.755	S	S	*	*				174	137.9	105.2	0	0	0	0	0	114.3
248	A	27.7	Very low	29	Very low	84 Å²	84	139.5 Å²	139.5	69%	0.694	75%	0.748	S	S	*	*			trans	46.6	126.4	149.7	0	0	0	0	0	121.1
249	H	30.3	Very low	29.1	Very low	194 Å²	194	138.2 Å²	138.2	90%	0.898	75%	0.745	S	S	*	*				-156.6	167.7	103.5	-101.8	-71	0	0	0	110.8
250	S	24.4	Very low	29	Very low	86 Å²	86	139.7 Å²	139.7	60%	0.601	75%	0.748	S	S	*	*			trans	-139	-169.8	-176.4	67.8	0	0	0	0	111
251	Y	27.7	Very low	29	Very low	210 Å²	210	139.5 Å²	139.5	82%	0.824	75%	0.747	S	S	*	*			trans	81	128	-174.4	-50	-73	0	0	0	114.2
252	R	26.8	Very low	28.9	Very low	209 Å²	209	140.8 Å²	140.8	79%	0.789	75%	0.75	S	S	*	*			cis	106.6	132.2	19.5	178.7	176.4	179.8	-179.2	5.6	112.8
253	N	26.9	Very low	28.9	Very low	119 Å²	119	139 Å²	139	64%	0.636	75%	0.749	S	S	*	*			trans	71.3	119.6	171.5	-69	5.7	0	0	0	117
254	S	31.7	Very low	28.9	Very low	120 Å²	120	144.9 Å²	144.9	84%	0.839	76%	0.763	S	S	*	*			trans	-122.7	88.2	139.2	59.2	0	0	0	0	108.4
255	I	31.3	Very low	29.1	Very low	146 Å²	146	143.7 Å²	143.7	75%	0.749	77%	0.77	S	S	*	*			trans	-101.3	146.5	153.7	-67.8	177.2	0	0	0	105.3
256	D	28.2	Very low	29	Very low	139 Å²	139	142.5 Å²	142.5	74%	0.743	77%	0.772	S	S	*	*			trans	-59.8	173.4	-171.2	-61.3	-81.3	0	0	0	116
257	F	30.8	Very low	29.2	Very low	192 Å²	192	139.7 Å²	139.7	84%	0.842	76%	0.762	S	S	*	*			trans	87.4	79.7	168.6	-59.6	-81.5	0	0	0	118.9
258	S	28.6	Very low	29.6	Very low	91 Å²	91	141.5 Å²	141.5	64%	0.636	76%	0.764	S	S	*	*				104.6	146.2	104.9	78.1	0	0	0	0	121
259	H	33.7	Very low	29.7	Very low	177 Å²	177	145.3 Å²	145.3	82%	0.819	77%	0.772	S	S	*	*			trans	69.8	110.2	159.2	-60.4	-58.3	0	0	0	121.3
260	N	26.6	Very low	30	Very low	157 Å²	157	141.8 Å²	141.8	84%	0.84	77%	0.766	S	S	*	*			trans	-35.3	158.4	154.2	-40.8	-19	0	0	0	113.2
261	S	31.9	Very low	30.7	Very low	95 Å²	95	142.7 Å²	142.7	66%	0.664	77%	0.77	S	S	*	*			cis	-170.3	160.9	40.1	52.6	0	0	0	0	113.5
262	D	28.4	Very low	30.8	Very low	146 Å²	146	139.4 Å²	139.4	78%	0.781	77%	0.771	S	S	*	*			trans	37.5	125.7	144.4	-72.1	-60.3	0	0	0	119.8
263	S	30.4	Very low	31	Very low	101 Å²	101	132.3 Å²	132.3	71%	0.706	76%	0.763	S	S	*	*				178	153.9	51	36	0	0	0	0	114.6
264	R	29.2	Very low	31.4	Very low	227 Å²	227	136.1 Å²	136.1	86%	0.857	77%	0.774	S	S	*	*			trans	20.5	141	141.7	-51.1	174.6	-179.6	175.6	-0.7	121
265	I	32.4	Very low	31.2	Very low	167 Å²	167	135.4 Å²	135.4	86%	0.856	77%	0.769	S	S	*	*				-173.7	155.5	102.3	-94.4	161.1	0	0	0	112.9
266	S	28.2	Very low	31.3	Very low	117 Å²	117	133.3 Å²	133.3	82%	0.818	77%	0.774	S	S	*	*			trans	-52.2	167.2	177.7	-49.5	0	0	0	0	117.3
267	G	31.9	Very low	31.4	Very low	61 Å²	61	133.6 Å²	133.6	63%	0.629	78%	0.775	S	S	*	*			cis	155.7	-142.4	-0.6	0	0	0	0	0	113.7
268	T	34.4	Very low	31.5	Very low	134 Å²	134	131.1 Å²	131.1	82%	0.822	77%	0.77	S	S	*	*			trans	61.1	112	178.7	44.7	0	0	0	0	116.8
269	L	30.2	Very low	31.5	Very low	164 Å²	164	132.6 Å²	132.6	86%	0.859	78%	0.775	S	S	*	*			cis	116.8	147	34.7	-86.1	172.3	0	0	0	110.3
270	P	36.9	Very low	31.4	Very low	119 Å²	119	133.1 Å²	133.1	77%	0.773	78%	0.78	S	S	*	*			trans	-107.1	-119.9	-167	37.9	-20.5	0	0	0	112.8
271	P	38.5	Very low	31.4	Very low	106 Å²	106	128.6 Å²	128.6	69%	0.688	77%	0.771	S	S	*	*			cis	-141	175.4	7.4	46	-26.7	0	0	0	118.8
272	V	29.7	Very low	31.3	Very low	141 Å²	141	129 Å²	129	86%	0.855	77%	0.774	S	S	*	*			trans	72.3	136.3	142.7	159.8	0	0	0	0	123.2
273	G	31.5	Very low	31.3	Very low	59 Å²	59	134 Å²	134	61%	0.608	78%	0.782	S	S	*	*				151.4	102	129.7	0	0	0	0	0	123.3
274	K	34.1	Very low	31.3	Very low	200 Å²	200	132.7 Å²	132.7	87%	0.87	78%	0.784	S	S	*	*			trans	66.6	168.1	137.2	-61.3	172.5	-173	175.7	0	120
275	S	28.1	Very low	31.2	Very low	105 Å²	105	128.9 Å²	128.9	73%	0.734	78%	0.781	S	S	*	*				168.3	130.7	-55.8	56.2	0	0	0	0	110.6
276	A	33.9	Very low	31.2	Very low	102 Å²	102	127 Å²	127	84%	0.843	77%	0.772	S	S	*	*			trans	174.7	161	152	0	0	0	0	0	114.7
277	N	30.2	Very low	31.2	Very low	145 Å²	145	128.4 Å²	128.4	78%	0.775	77%	0.77	S	S	*	*			trans	-78.7	174.1	-178.9	-43.6	-28.5	0	0	0	112.3
278	D	32.4	Very low	31.1	Very low	139 Å²	139	128.8 Å²	128.8	74%	0.743	77%	0.767	S	S	*	*				-172.5	143.7	67.2	-101.7	-34.8	0	0	0	117.2
279	V	29.4	Very low	30.8	Very low	122 Å²	122	129 Å²	129	74%	0.739	76%	0.764	S	S	*	*			trans	19.1	119.8	138.5	-172.4	0	0	0	0	122.3
280	M	30.4	Very low	30.7	Very low	188 Å²	188	127 Å²	127	93%	0.926	75%	0.754	S	S	*	*				158.6	155.9	129.7	-88	-150.9	-69.2	0	0	111.2
281	G	27.5	Very low	30.3	Very low	63 Å²	63	126.5 Å²	126.5	65%	0.649	75%	0.749	S	S	*	*			cis	155	128.8	-10.1	0	0	0	0	0	115
282	S	30.3	Very low	29.8	Very low	104 Å²	104	125.3 Å²	125.3	73%	0.727	74%	0.743	S	S	*	*			trans	77.7	118.1	157.6	-64.8	0	0	0	0	123.9
283	R	27.1	Very low	29.8	Very low	250 Å²	250	126.4 Å²	126.4	94%	0.943	74%	0.738	S	S	*	*				68.3	147.7	125.5	-62.7	172.3	169.9	175.7	-3.7	121.3
284	G	30.6	Very low	29.6	Very low	73 Å²	73	129.2 Å²	129.2	75%	0.753	74%	0.738	S	S	*	*			trans	-152	-78.4	176.3	0	0	0	0	0	113.7
285	N	27.1	Very low	29.2	Very low	147 Å²	147	127.8 Å²	127.8	79%	0.786	73%	0.732	S	S	*	*			trans	71.4	171.6	169.7	-161.2	24.4	0	0	0	117.5
286	L	32.2	Very low	29.1	Very low	129 Å²	129	127.6 Å²	127.6	68%	0.675	73%	0.731	S	S	*	*			trans	77.5	113.8	169.7	-54.3	179	0	0	0	115.2
287	N	28	Very low	28.8	Very low	145 Å²	145	131.1 Å²	131.1	78%	0.775	73%	0.727	S	S	*	*				88.4	145.4	64.8	-79.5	7.1	0	0	0	112.4
288	A	29.6	Very low	28.6	Very low	69 Å²	69	130 Å²	130	57%	0.57	73%	0.725	S	S	*	*			cis	-170.7	165.3	-16.1	0	0	0	0	0	109.3
289	N	27.9	Very low	28.3	Very low	140 Å²	140	128 Å²	128	75%	0.749	72%	0.723	S	S	*	*			trans	64.6	169.1	152.1	-75.1	30.9	0	0	0	117.3
290	D	28.4	Very low	28.2	Very low	120 Å²	120	128.3 Å²	128.3	64%	0.642	72%	0.719	S	S	*	*			cis	-145.4	163.2	-1.7	-135	-46.2	0	0	0	114.6
291	T	29.1	Very low	28	Very low	109 Å²	109	128.8 Å²	128.8	67%	0.669	72%	0.716	S	S	*	*			trans	13.2	115.7	152.3	35.9	0	0	0	0	123
292	S	27.4	Very low	28	Very low	81 Å²	81	128.8 Å²	128.8	57%	0.566	72%	0.716	S	S	*	*				90.3	164.5	107	81.4	0	0	0	0	123.1
293	H	29.4	Very low	27.8	Very low	164 Å²	164	129.1 Å²	129.1	76%	0.759	72%	0.719	S	S	*	*			trans	73.4	152.5	150.2	-65.7	-16.7	0	0	0	117.8
294	I	27.7	Very low	27.8	Very low	119 Å²	119	127.7 Å²	127.7	61%	0.61	71%	0.713	S	S	*	*			cis	-155.1	143.8	-16.1	-117.1	168.6	0	0	0	111.6
295	K	26.4	Very low	27.8	Very low	170 Å²	170	133.5 Å²	133.5	74%	0.739	72%	0.717	S	S	*	*			trans	32.6	110.6	151.5	-53.3	169.8	-174.7	169.2	0	121.5
296	S	25.8	Very low	27.6	Very low	101 Å²	101	132.1 Å²	132.1	71%	0.706	72%	0.719	S	S	*	*				85	166.4	108.1	81.4	0	0	0	0	123.4
297	K	27.1	Very low	27.4	Very low	175 Å²	175	130.7 Å²	130.7	76%	0.761	73%	0.726	S	S	*	*			trans	93	100.2	146.3	-85.5	179.5	177.1	-176.9	0	121.2
298	T	26.3	Very low	27.3	Very low	121 Å²	121	130.1 Å²	130.1	74%	0.742	73%	0.728	S	S	*	*				45.3	127	119.7	59.2	0	0	0	0	121.5
299	S	25.9	Very low	27.2	Very low	99 Å²	99	135 Å²	135	69%	0.692	74%	0.744	S	S	*	*				-167.5	109.7	112	-167.3	0	0	0	0	111.3
300	I	27.4	Very low	27.2	Very low	127 Å²	127	133.3 Å²	133.3	65%	0.651	74%	0.743	S	S	*	*				62.4	139.2	97.5	-41.7	155	0	0	0	116.1
301	F	27	Very low	27.2	Very low	199 Å²	199	135.5 Å²	135.5	87%	0.873	76%	0.755	S	S	*	*			trans	76.9	137	173.3	-55.1	-71.4	0	0	0	116.8
302	G	27.5	Very low	27.2	Very low	63 Å²	63	135.7 Å²	135.7	65%	0.649	76%	0.76	S	S	*	*			cis	-158.6	151.1	-5.5	0	0	0	0	0	110.7
303	S	25.2	Very low	27.4	Very low	111 Å²	111	141.3 Å²	141.3	78%	0.776	78%	0.775	S	S	*	*				47.5	128.9	94.3	-78.6	0	0	0	0	114.5
304	R	26.8	Very low	27.5	Very low	220 Å²	220	141 Å²	141	83%	0.83	78%	0.777	S	S	*	*			cis	-173.7	171.1	28.5	-128.8	168.2	-169.2	-169.7	1.2	113.2
305	K	31.2	Very low	27.7	Very low	194 Å²	194	143.6 Å²	143.6	84%	0.843	79%	0.787	S	S	*	*			trans	74.3	103.7	157.6	-67.5	169.3	178.8	-178.6	0	119.2
306	S	23.2	Very low	27.8	Very low	118 Å²	118	144.4 Å²	144.4	83%	0.825	79%	0.793	S	S	*	*			trans	-89.5	166.5	149	51.8	0	0	0	0	111.2
307	A	27.6	Very low	28	Very low	99 Å²	99	150.1 Å²	150.1	82%	0.818	80%	0.799	S	S	*	*			trans	-149.2	133.3	164.8	0	0	0	0	0	111
308	T	25.9	Very low	28	Very low	134 Å²	134	150 Å²	150	82%	0.822	80%	0.799	S	S	*	*			trans	-139.1	141	176.4	40.9	0	0	0	0	110.6
309	L	27.4	Very low	28.2	Very low	171 Å²	171	150.3 Å²	150.3	90%	0.895	80%	0.796	S	S	*	*			trans	-150.6	150.2	176.5	-70.5	176.9	0	0	0	109.3
310	S	28.8	Very low	28.2	Very low	105 Å²	105	154.8 Å²	154.8	73%	0.734	81%	0.806	S	S	*	*			cis	-169.4	155.3	-25.3	45.7	0	0	0	0	109.7
311	N	27.3	Very low	28.3	Very low	165 Å²	165	152.7 Å²	152.7	88%	0.882	82%	0.815	S	S	*	*			trans	-97.1	152.1	-177.4	-62.7	-52	0	0	0	114.5
312	S	30.4	Very low	28.2	Very low	113 Å²	113	155.1 Å²	155.1	79%	0.79	82%	0.819	S	S	*	*			trans	-159.4	122	153.2	53.5	0	0	0	0	108.9
313	K	30.9	Very low	28.4	Very low	200 Å²	200	157.1 Å²	157.1	87%	0.87	82%	0.823	S	S	*	*			cis	79	104.3	16	-154.5	-168.4	-175.3	-170.1	0	115.9
314	I	30.9	Very low	28.6	Very low	156 Å²	156	159.7 Å²	159.7	80%	0.8	82%	0.822	S	S	*	*			trans	-174.5	148.1	164.3	-97.7	146.5	0	0	0	106.6
315	E	32.6	Very low	28.7	Very low	175 Å²	175	154.2 Å²	154.2	82%	0.818	81%	0.814	S	S	*	*			cis	-150.4	-179.4	-29.4	-101.2	-170	133.4	0	0	108.9
316	Q	27.7	Very low	28.5	Very low	186 Å²	186	152 Å²	152	87%	0.869	81%	0.811	S	S	*	*			trans	-102.1	-165.6	178.9	-61.4	175.1	-88.8	0	0	112.5
317	R	30.4	Very low	28.8	Very low	222 Å²	222	150.9 Å²	150.9	84%	0.838	81%	0.809	S	S	*	*			trans	101.3	141.1	165.5	-52.1	-153.1	-169	-150	4.3	115.3
318	F	27	Very low	29	Very low	172 Å²	172	149.5 Å²	149.5	75%	0.754	81%	0.805	S	S	*	*			cis	-166	174.5	-24.3	-123	-74	0	0	0	109
319	N	31	Very low	29.2	Very low	128 Å²	128	150.4 Å²	150.4	68%	0.684	80%	0.804	S	S	*	*			trans	70.7	107.4	158.9	-64.5	9.7	0	0	0	121.4
320	E	26.8	Very low	29.3	Very low	193 Å²	193	147.4 Å²	147.4	90%	0.902	79%	0.789	S	S	*	*				25.7	134.7	118.3	-58.3	178.3	153.6	0	0	122
321	G	29.5	Very low	29.7	Very low	82 Å²	82	151 Å²	151	85%	0.845	79%	0.793	S	S	*	*			trans	-163.7	146.5	162.9	0	0	0	0	0	111
322	R	25.1	Very low	30	Very low	251 Å²	251	151 Å²	151	95%	0.947	79%	0.788	S	S	*	*			trans	-148.1	123.7	-163.3	-179.5	-170.2	-174.9	-160.3	3.5	113.6
323	S	31	Very low	29.9	Very low	105 Å²	105	149 Å²	149	73%	0.734	79%	0.785	S	S	*	*			trans	-170.6	118.6	162	-172.5	0	0	0	0	107.5
324	Q	29.5	Very low	29.7	Very low	164 Å²	164	145 Å²	145	77%	0.766	78%	0.782	S	S	*	*				79.6	126.7	69	-97.5	-171.9	-83	0	0	116.4
325	T	27.8	Very low	29.7	Very low	106 Å²	106	148.5 Å²	148.5	65%	0.65	79%	0.787	S	S	*	*			trans	69.3	145.7	148.1	50.1	0	0	0	0	119.6
326	D	28.5	Very low	29.8	Very low	146 Å²	146	145.2 Å²	145.2	78%	0.781	78%	0.783	S	S	*	*			cis	-158.2	167.7	4	-129	-33.7	0	0	0	116.1
327	A	29.9	Very low	29.8	Very low	96 Å²	96	142.7 Å²	142.7	79%	0.793	78%	0.78	S	S	*	*			trans	56.2	145.2	151.5	0	0	0	0	0	124.8
328	G	31.2	Very low	29.9	Very low	70 Å²	70	139.2 Å²	139.2	72%	0.722	78%	0.778	S	S	*	*			trans	102	97.9	166.9	0	0	0	0	0	114.5
329	D	30.5	Very low	30.1	Very low	152 Å²	152	137.1 Å²	137.1	81%	0.813	77%	0.774	S	S	*	*			cis	59.3	130.6	41	-94.5	25.2	0	0	0	114
330	L	29.3	Very low	30.3	Very low	109 Å²	109	138.7 Å²	138.7	57%	0.571	78%	0.783	S	S	*	*			cis	-162.3	155.3	-5.2	-165.8	88	0	0	0	108.2
331	H	37.4	Very low	30.5	Very low	179 Å²	179	137.8 Å²	137.8	83%	0.829	78%	0.778	S	S	*	*			trans	175.5	103	139.9	-97.6	-66.1	0	0	0	114.8
332	H	32	Very low	30.6	Very low	166 Å²	166	139.8 Å²	139.8	77%	0.769	77%	0.77	S	S	*	*			trans	6.1	141.6	152.3	-56.8	-79	0	0	0	123.8
333	G	29.9	Very low	31.1	Very low	71 Å²	71	136.7 Å²	136.7	73%	0.732	77%	0.766	S	S	*	*			trans	175.4	90.7	154.6	0	0	0	0	0	111.6
334	S	26.9	Very low	30.9	Very low	116 Å²	116	139.6 Å²	139.6	81%	0.811	77%	0.771	S	S	*	*			trans	-152.7	134.6	-173.8	-53.2	0	0	0	0	114.3
335	Y	30.6	Very low	31	Very low	229 Å²	229	134.9 Å²	134.9	90%	0.898	77%	0.767	S	S	*	*			trans	-151.2	146.3	165.2	-85.5	-92.8	0	0	0	106
336	S	33.6	Very low	31.1	Very low	106 Å²	106	134.8 Å²	134.8	74%	0.741	77%	0.771	S	S	*	*			cis	-164.7	149.5	-23	39.6	0	0	0	0	107.1
337	V	27.2	Very low	31.3	Very low	133 Å²	133	135.5 Å²	135.5	81%	0.806	77%	0.769	S	S	*	*			trans	-108.4	138.1	-176.2	177.6	0	0	0	0	110.9
338	L	34.4	Very low	31.4	Very low	150 Å²	150	137.6 Å²	137.6	79%	0.785	77%	0.767	S	S	*	*			trans	-145	129	157.1	-65.9	178.3	0	0	0	104.4
339	D	30.6	Very low	31.2	Very low	127 Å²	127	139.2 Å²	139.2	68%	0.679	77%	0.767	S	S	*	*				68.3	135.8	76.1	-52	-28.4	0	0	0	111.2
340	D	35.6	Very low	31.3	Very low	161 Å²	161	135.9 Å²	135.9	86%	0.861	76%	0.76	S	S	*	*			cis	-138.7	-179.7	22.8	-96.3	-56.4	0	0	0	114.2
341	E	29.8	Very low	31.4	Very low	174 Å²	174	136.4 Å²	136.4	81%	0.813	77%	0.768	S	S	*	*			trans	-92.6	170.3	-176.6	-62.7	-153.4	121.8	0	0	116.7
342	D	31.9	Very low	31.1	Very low	124 Å²	124	133.9 Å²	133.9	66%	0.663	77%	0.766	S	S	*	*			trans	57	134.1	152.6	-87.8	-5.8	0	0	0	121.6
343	H	35.4	Very low	31	Very low	186 Å²	186	131.2 Å²	131.2	86%	0.861	77%	0.765	S	S	*	*				-169.5	156.3	106.4	-102.1	62.8	0	0	0	112.9
344	I	27.1	Very low	31	Very low	166 Å²	166	134.2 Å²	134.2	85%	0.851	77%	0.77	S	S	*	*			trans	-104.1	139.5	-172.7	-64.2	165.8	0	0	0	111.2
345	G	30.4	Very low	31.4	Very low	66 Å²	66	134.7 Å²	134.7	68%	0.68	77%	0.77	S	S	*	*			trans	-171.3	127.9	167.8	0	0	0	0	0	116.7
346	S	30.3	Very low	31.2	Very low	104 Å²	104	131 Å²	131	73%	0.727	77%	0.766	S	S	*	*			trans	20.8	134.2	145.3	-75.9	0	0	0	0	120.4
347	Q	32.6	Very low	31.2	Very low	160 Å²	160	134.1 Å²	134.1	75%	0.748	77%	0.773	S	S	*	*			cis	-167.9	-165.3	-0.1	-125.6	171.7	103.5	0	0	107.2
348	L	32.5	Very low	31.4	Very low	141 Å²	141	135.6 Å²	135.6	74%	0.738	77%	0.772	S	S	*	*			cis	-152	-164.2	11.5	-135	-179	0	0	0	109.8
349	S	27.3	Very low	31.3	Very low	104 Å²	104	134 Å²	134	73%	0.727	76%	0.764	S	S	*	*			trans	-53.9	161.1	171.5	-64.2	0	0	0	0	116.8
350	A	31.9	Very low	31.5	Very low	82 Å²	82	136 Å²	136	68%	0.678	77%	0.767	S	S	*	*			cis	-176.2	-166.4	-17.4	0	0	0	0	0	107.3
351	T	31.8	Very low	31.2	Very low	119 Å²	119	137.1 Å²	137.1	73%	0.73	77%	0.766	S	S	*	*			cis	-160.7	159.8	6.7	-21.9	0	0	0	0	110
352	T	31.1	Very low	31.5	Very low	127 Å²	127	139 Å²	139	78%	0.779	77%	0.772	S	S	*	*			trans	57.9	144.2	155.7	50.8	0	0	0	0	121.3
353	S	30.1	Very low	31.5	Very low	109 Å²	109	142.5 Å²	142.5	76%	0.762	78%	0.781	S	S	*	*			cis	-166.3	148.3	-17.9	47.6	0	0	0	0	112.5
354	T	30.3	Very low	31.4	Very low	134 Å²	134	142.5 Å²	142.5	82%	0.822	78%	0.778	S	S	*	*			trans	-61.7	168.2	168.5	31.6	0	0	0	0	114.2
355	P	34.1	Very low	31.6	Very low	127 Å²	127	143 Å²	143	83%	0.825	77%	0.77	S	S	*	*			cis	-153.5	177.8	48.7	43.4	-20.7	0	0	0	121.6
356	N	27.9	Very low	31.8	Very low	152 Å²	152	146.8 Å²	146.8	81%	0.813	77%	0.767	S	S	*	*			trans	-60.9	161.1	169.3	-96.4	-46.2	0	0	0	114.5
357	L	33.8	Very low	31.7	Very low	170 Å²	170	146.2 Å²	146.2	89%	0.89	76%	0.764	S	S	*	*			trans	-149.1	149.2	136.2	-112.8	171.4	0	0	0	111.7
358	Q	30.3	Very low	31.7	Very low	165 Å²	165	145.2 Å²	145.2	77%	0.771	76%	0.763	S	S	*	*			trans	-94.6	164.2	-179.1	-59.4	163.1	-18.4	0	0	110.1
359	D	32	Very low	31.6	Very low	117 Å²	117	146 Å²	146	63%	0.626	77%	0.767	S	S	*	*				177.6	162.1	106.1	-123.7	-40.5	0	0	0	119.3
360	K	34.5	Very low	31.8	Very low	169 Å²	169	144.3 Å²	144.3	74%	0.735	77%	0.765	S	S	*	*			trans	47.7	110.1	148.1	-79.1	139	-158.4	156.8	0	122.9
361	H	30.8	Very low	32	Very low	183 Å²	183	149.3 Å²	149.3	85%	0.847	77%	0.772	S	S	*	*			trans	-43	157.1	148.1	-46.9	-97.8	0	0	0	115.8
362	K	35.1	Very low	31.9	Very low	214 Å²	214	148.8 Å²	148.8	93%	0.93	77%	0.773	S	S	*	*				-156.1	158.3	124.7	-112.3	154.4	-172	170.5	0	114.4
363	K	32	Very low	31.9	Very low	198 Å²	198	153.1 Å²	153.1	86%	0.861	78%	0.775	S	S	*	*			trans	-93.9	180	-172.6	-60.9	170.8	176.6	174.9	0	112.1
364	K	34.1	Very low	32.1	Very low	185 Å²	185	157 Å²	157	80%	0.804	78%	0.778	S	S	*	*			trans	101.6	145.9	158.5	-58.1	178.1	177.3	178.2	0	114.9
365	R	31.7	Very low	32.2	Very low	178 Å²	178	154.8 Å²	154.8	67%	0.672	77%	0.768	S	S	*	*			cis	-167.9	153.9	-12.4	-116.4	162	129.6	-160.2	3.9	110
366	F	33.1	Very low	32	Very low	144 Å²	144	155.2 Å²	155.2	63%	0.632	77%	0.769	S	S	*	*			trans	61.9	142	157.1	-54.5	-39.1	0	0	0	118.6
367	S	28.6	Very low	32.2	Very low	93 Å²	93	151.9 Å²	151.9	65%	0.65	77%	0.771	S	S	*	*			cis	88.1	146	11.4	87.6	0	0	0	0	118.7
368	L	33	Very low	32	Very low	139 Å²	139	149.6 Å²	149.6	73%	0.728	77%	0.769	S	S	*	*			trans	110.5	113	160.3	-61.9	156.2	0	0	0	116.8
369	L	31.2	Very low	32.1	Very low	158 Å²	158	151.2 Å²	151.2	83%	0.827	78%	0.776	S	S	*	*			trans	57.9	146.3	146.4	-77.5	55.4	0	0	0	120.2
370	G	31.2	Very low	32.2	Very low	67 Å²	67	150.9 Å²	150.9	69%	0.691	78%	0.783	S	S	*	*			cis	159.8	164.5	-13	0	0	0	0	0	115.7
371	K	34.7	Very low	32	Very low	187 Å²	187	149.7 Å²	149.7	81%	0.813	79%	0.785	S	S	*	*			trans	66.1	114.7	155.3	-59.7	179.9	178.9	178.3	0	121
372	S	30.1	Very low	32.2	Very low	109 Å²	109	145.7 Å²	145.7	76%	0.762	77%	0.773	S	S	*	*			trans	75.9	164.1	130.7	87.6	0	0	0	0	118.1
373	R	31.4	Very low	32.1	Very low	218 Å²	218	145.3 Å²	145.3	82%	0.823	77%	0.766	S	S	*	*			cis	-165.6	157.7	-8.3	-132.8	171.2	-179.2	178.7	-1.1	109.1
374	K	34.7	Very low	32.2	Very low	189 Å²	189	142.2 Å²	142.2	82%	0.822	76%	0.758	S	S	*	*			trans	63.4	168.6	161.5	-66.9	-178.9	174.8	-171.5	0	116.6
375	S	32.5	Very low	32.5	Very low	88 Å²	88	139 Å²	139	62%	0.615	75%	0.75	S	S	*	*			cis	-167.9	158.4	-42	59.8	0	0	0	0	110
376	T	30.4	Very low	32.8	Very low	137 Å²	137	134 Å²	134	84%	0.84	74%	0.742	S	S	*	*			trans	46.3	124.3	148.4	52.8	0	0	0	0	121.2
377	G	31.5	Very low	33	Very low	82 Å²	82	135.2 Å²	135.2	85%	0.845	75%	0.747	S	S	*	*			trans	-177.7	127.4	159.9	0	0	0	0	0	113.1
378	S	28.6	Very low	33.4	Very low	121 Å²	121	140.1 Å²	140.1	85%	0.846	76%	0.757	S	S	*	*			trans	-156.5	124.8	176.4	55.8	0	0	0	0	109.5
379	E	33.9	Very low	33.7	Very low	199 Å²	199	138 Å²	138	93%	0.93	75%	0.754	S	S	*	*			trans	-155.5	173.2	-179.9	-123.5	161.6	-143.1	0	0	111.2
380	S	34.2	Very low	33.9	Very low	110 Å²	110	140.5 Å²	140.5	77%	0.769	76%	0.758	S	S	*	*			trans	-154.5	174	-147	55.9	0	0	0	0	116.7
381	D	29.4	Very low	34	Very low	145 Å²	145	140.5 Å²	140.5	78%	0.775	76%	0.758	S	S	*	*			trans	91.2	168.4	147.3	-158.6	23.8	0	0	0	119.6
382	V	34.8	Very low	33.8	Very low	98 Å²	98	137 Å²	137	59%	0.594	76%	0.757	S	S	*	*			trans	116.4	89.8	157.7	-173.2	0	0	0	0	118.1
383	R	33.2	Very low	34.1	Very low	207 Å²	207	137.6 Å²	137.6	78%	0.781	76%	0.756	S	S	*	*			trans	63.6	153.8	133.3	-60.1	177.5	-165.5	152.5	6.2	120
384	N	35.2	Very low	34.4	Very low	132 Å²	132	132.6 Å²	132.6	71%	0.706	75%	0.752	S	S	*	*			cis	-149.2	-163.5	-3.9	-125.3	48	0	0	0	107.9
385	D	39.9	Very low	34.3	Very low	119 Å²	119	130.7 Å²	130.7	64%	0.636	75%	0.751	S	S	*	*			cis	-140.5	-119.1	10	-165.1	-102.6	0	0	0	113.4
386	S	36.6	Very low	34.5	Very low	71 Å²	71	132.9 Å²	132.9	50%	0.497	75%	0.754	S	S	.	*			trans	-155.2	151.2	-157.4	70.1	0	0	0	0	118.4
387	K	37.7	Very low	34.7	Very low	170 Å²	170	136.3 Å²	136.3	74%	0.739	75%	0.752	S	S	*	*			trans	130.5	121.1	133.6	-76.5	147.6	-173.4	150.8	0	118.6
388	K	37.7	Very low	34.9	Very low	197 Å²	197	138.6 Å²	138.6	86%	0.857	74%	0.744	S	S	*	*			trans	67.4	146.4	143.3	-66.4	178.4	-179.2	-177.9	0	117.7
389	S	39.4	Very low	35.3	Very low	95 Å²	95	140.5 Å²	140.5	66%	0.664	74%	0.737	S	S	*	*			cis	-170.5	150.1	-6.1	49.1	0	0	0	0	112.9
390	K	35.5	Very low	35.5	Very low	210 Å²	210	137.1 Å²	137.1	91%	0.913	73%	0.725	S	S	*	*			trans	56	140.1	155.9	-62.5	174.7	179.2	-175.1	0	118
391	G	32.2	Very low	35.7	Very low	67 Å²	67	134.9 Å²	134.9	69%	0.691	72%	0.72	S	S	*	*			cis	-153.1	168.7	-1.4	0	0	0	0	0	110.1
392	S	31.5	Very low	36	Very low	114 Å²	114	137.7 Å²	137.7	80%	0.797	73%	0.728	S	S	*	*				61.8	127.9	91.6	-145.4	0	0	0	0	113.4
393	T	36.1	Very low	35.9	Very low	121 Å²	121	136.1 Å²	136.1	74%	0.742	73%	0.732	S	S	*	*			cis	-157.1	151.3	17.2	-28.5	0	0	0	0	110.2
394	P	37.5	Very low	36	Very low	113 Å²	113	133.3 Å²	133.3	73%	0.734	73%	0.728	S	S	*	*			trans	-96.3	-165.6	176.7	39.9	-38.2	0	0	0	113.6
395	D	31.9	Very low	36.1	Very low	148 Å²	148	134.2 Å²	134.2	79%	0.791	73%	0.725	S	S	*	*			trans	89.8	165.1	159.4	-111.3	-44.1	0	0	0	119.8
396	I	37.5	Very low	35.7	Very low	135 Å²	135	137.1 Å²	137.1	69%	0.692	73%	0.732	S	S	*	*			trans	80.5	89.8	179.9	-57.3	-178.1	0	0	0	113.6
397	R	33.8	Very low	35.5	Very low	208 Å²	208	142.9 Å²	142.9	79%	0.785	75%	0.748	S	S	*	*				84.1	144.8	82.2	-79.2	173.3	-172.2	178.7	3.3	112.5
398	L	37.2	Very low	35.2	Very low	130 Å²	130	144.2 Å²	144.2	68%	0.681	75%	0.754	S	S	*	*			cis	-162.7	152.9	8.5	-104.4	154.1	0	0	0	109.7
399	K	37.2	Very low	34.7	Very low	161 Å²	161	138.7 Å²	138.7	70%	0.7	75%	0.753	S	S	*	*			trans	64.9	160.3	144.3	-67.1	178.6	151.8	-101.1	0	119.9
400	D	37.6	Very low	34.4	Very low	129 Å²	129	141.7 Å²	141.7	69%	0.69	76%	0.761	S	S	*	*			cis	-161.1	160.8	-22.3	-89.4	-22.4	0	0	0	104.9
401	G	36.9	Very low	34.2	Very low	63 Å²	63	140.1 Å²	140.1	65%	0.649	76%	0.756	S	S	*	*			cis	-112.5	-136.7	-2.3	0	0	0	0	0	112.7
402	E	35.9	Very low	34.4	Very low	204 Å²	204	144 Å²	144	95%	0.953	76%	0.76	S	S	*	*			cis	91.2	124.1	24.4	-53.3	-166.7	146.3	0	0	115.7
403	G	34.4	Very low	34.6	Very low	65 Å²	65	147.3 Å²	147.3	67%	0.67	76%	0.76	S	S	*	*			cis	-142.9	151.9	0	0	0	0	0	0	113.3
404	E	35.1	Very low	34.4	Very low	148 Å²	148	149 Å²	149	69%	0.692	77%	0.765	S	S	*	*				66.2	89.6	90.2	-68.7	-68.9	119.5	0	0	113.4
405	K	36.1	Very low	34.3	Very low	151 Å²	151	148.5 Å²	148.5	66%	0.657	76%	0.762	S	S	*	*				79.2	112.4	82.9	-76.4	-177.6	-156.8	147.9	0	116.5
406	K	31.2	Very low	34.5	Very low	179 Å²	179	151.8 Å²	151.8	78%	0.778	77%	0.769	S	S	*	*			trans	51.2	120.4	136.4	-51.5	174.3	-177.3	179.9	0	119.4
407	K	34.3	Very low	34.3	Very low	193 Å²	193	154 Å²	154	84%	0.839	77%	0.774	S	S	*	*				175.4	150.2	108.2	-94.1	154.6	-172	169.5	0	115
408	K	31.1	Very low	34.1	Very low	198 Å²	198	155.7 Å²	155.7	86%	0.861	78%	0.78	S	S	*	*			trans	28.1	100.8	144.2	-59.5	-175.4	176.1	-171.9	0	119.5
409	G	27.3	Very low	34	Very low	81 Å²	81	155.1 Å²	155.1	84%	0.835	79%	0.787	S	S	*	*				43.9	142.5	116.7	0	0	0	0	0	122.6
410	L	32.9	Very low	33.6	Very low	157 Å²	157	157.2 Å²	157.2	82%	0.822	80%	0.796	S	S	*	*			trans	-145	132.8	165.8	-120.1	162.6	0	0	0	111.2	L412	L410-L412 HydrophobicContact CD2-CG 4.38Å
411	H	30.2	Very low	33.4	Very low	178 Å²	178	157.4 Å²	157.4	82%	0.824	80%	0.802	S	S	*	*			trans	-97.2	114.1	171.9	-117.5	-83.6	0	0	0	108.9
412	L	36.7	Very low	33	Very low	148 Å²	148	162.5 Å²	162.5	78%	0.775	81%	0.806	S	S	*	*			trans	-130.1	98.6	166.4	-73.5	163.3	0	0	0	105.9	L410	L410-L412 HydrophobicContact CD2-CG 4.38Å
413	K	35.5	Very low	32.8	Very low	184 Å²	184	158.1 Å²	158.1	80%	0.8	79%	0.79	S	S	*	*				55.3	101	71.3	-70.6	-165.9	173.2	-177.2	0	113.5
414	N	32.4	Very low	32.7	Very low	156 Å²	156	164 Å²	164	83%	0.834	80%	0.799	S	S	*	*			trans	-39.5	157.1	145.6	-80.1	-13.5	0	0	0	112
415	P	35.9	Very low	32.4	Very low	103 Å²	103	163.3 Å²	163.3	67%	0.669	81%	0.806	S	S	*	*			cis	-144.5	170.7	33.8	42.3	-24.9	0	0	0	117.8
416	F	34.6	Very low	32.2	Very low	217 Å²	217	161.3 Å²	161.3	95%	0.952	81%	0.808	S	S	*	*				-142.8	141.9	126.9	-100.7	-74.2	0	0	0	110.3
417	K	34.6	Very low	32	Very low	181 Å²	181	157.4 Å²	157.4	79%	0.787	80%	0.803	S	S	*	*			trans	-136.6	143.7	-179.5	-92.3	-174.4	177.4	177.1	0	109.4
418	R	30	Very low	31.8	Very low	243 Å²	243	156.3 Å²	156.3	92%	0.917	81%	0.805	S	S	*	*			trans	52.2	114.7	154.4	-66.6	179.7	170.8	-171	-3.2	118.4
419	S	34.1	Very low	31.6	Very low	118 Å²	118	151 Å²	151	83%	0.825	80%	0.798	S	S	*	*				-144.2	154.1	122.9	55.1	0	0	0	0	109.7
420	K	29.4	Very low	31.9	Very low	206 Å²	206	152.7 Å²	152.7	90%	0.896	80%	0.797	S	S	*	*			trans	-123.8	121.4	171.7	-83.2	-171.1	177.1	-173.5	0	108.2
421	T	34.1	Very low	31.7	Very low	132 Å²	132	151.8 Å²	151.8	81%	0.81	79%	0.793	S	S	*	*			trans	-163.3	112.4	157.1	29.5	0	0	0	0	104.2
422	K	28.5	Very low	31.7	Very low	170 Å²	170	151.4 Å²	151.4	74%	0.739	80%	0.795	S	S	*	*			cis	82.9	124.3	45.9	-155.8	-159.3	178.8	-74.6	0	111.7
423	D	29.6	Very low	31.3	Very low	113 Å²	113	149.8 Å²	149.8	60%	0.604	79%	0.792	S	S	*	*			trans	81.9	136.9	166.7	-54.2	-38.1	0	0	0	121
424	Q	32.9	Very low	31.1	Very low	187 Å²	187	149 Å²	149	87%	0.874	80%	0.795	S	S	*	*			trans	80.9	101.1	153.8	-69.9	168.3	30.2	0	0	122.5
425	T	28.6	Very low	30.8	Very low	135 Å²	135	145.4 Å²	145.4	83%	0.828	79%	0.786	S	S	*	*			trans	-52.7	176.7	138.9	20.5	0	0	0	0	113.7
426	P	33.3	Very low	30.5	Very low	108 Å²	108	152.6 Å²	152.6	70%	0.701	80%	0.8	S	S	*	*			cis	-135.8	-179.8	6.5	41.2	-22.9	0	0	0	117.1
427	S	25.7	Very low	30.2	Very low	97 Å²	97	147.4 Å²	147.4	68%	0.678	79%	0.791	S	S	*	*			trans	20.5	139.8	145.5	65.9	0	0	0	0	122.9
428	I	31.3	Very low	30.1	Very low	171 Å²	171	145.7 Å²	145.7	88%	0.877	80%	0.796	S	S	*	*				-160.2	152.7	105.6	-98.2	155	0	0	0	109.1
429	A	25.7	Very low	30.1	Very low	87 Å²	87	143.2 Å²	143.2	72%	0.719	79%	0.792	S	S	*	*			trans	-114.8	163.7	-179.6	0	0	0	0	0	111.8
430	S	33.7	Very low	29.8	Very low	116 Å²	116	144.7 Å²	144.7	81%	0.811	79%	0.79	S	S	*	*			trans	-155.1	113.4	164.4	60.2	0	0	0	0	110.5
431	D	28.6	Very low	29.8	Very low	137 Å²	137	140.5 Å²	140.5	73%	0.733	78%	0.784	S	S	*	*			trans	-73.7	160.1	179.6	-53.8	-90	0	0	0	113.4
432	I	31.1	Very low	29.4	Very low	170 Å²	170	139.9 Å²	139.9	87%	0.872	78%	0.78	S	S	*	*			trans	-128.3	109.2	144.8	-63.4	-176.7	0	0	0	107.9
433	T	26.7	Very low	29.4	Very low	115 Å²	115	139 Å²	139	71%	0.706	78%	0.782	S	S	*	*			trans	-105.2	127.8	175	-21	0	0	0	0	109.7
434	I	31.8	Very low	29.2	Very low	167 Å²	167	140.4 Å²	140.4	86%	0.856	79%	0.789	S	S	*	*			trans	-133.6	124.5	154.9	-60.3	-176.2	0	0	0	107.5
435	A	26.3	Very low	28.9	Very low	80 Å²	80	136.7 Å²	136.7	66%	0.661	78%	0.779	S	S	*	*			trans	-124	153.2	-178.7	0	0	0	0	0	111
436	R	30.9	Very low	28.8	Very low	255 Å²	255	134.3 Å²	134.3	96%	0.962	77%	0.773	S	S	*	*			trans	-141.3	145.6	154.7	-104.6	178.5	176.8	174.5	-1.3	108.8
437	S	27.6	Very low	28.7	Very low	108 Å²	108	134.5 Å²	134.5	76%	0.755	77%	0.772	S	S	*	*			trans	-145	140.9	-157.4	54.3	0	0	0	0	114
438	T	32.8	Very low	28.9	Very low	144 Å²	144	136.3 Å²	136.3	88%	0.883	78%	0.779	S	S	*	*			trans	-140.3	85.5	163	39.6	0	0	0	0	110.1
439	K	29.2	Very low	29.2	Very low	191 Å²	191	136.5 Å²	136.5	83%	0.83	78%	0.776	S	S	*	*			trans	-4.9	124.8	161.8	-56	169	-178.8	177.5	0	117.9
440	N	28.4	Very low	30.2	Very low	150 Å²	150	143.8 Å²	143.8	80%	0.802	79%	0.785	S	S	*	*				-151.4	158.9	112.7	-98	-16.9	0	0	0	109.1	V442	N440-V442 PolarHBondContact O-N 3.43Å
441	P	28.5	Very low	31.3	Very low	118 Å²	118	142.2 Å²	142.2	77%	0.766	77%	0.767	S	S	*	*			trans	-81.3	109.3	-164.4	30.3	-33.9	0	0	0	113.1
442	V	25.5	Very low	33.1	Very low	118 Å²	118	138.2 Å²	138.2	72%	0.715	75%	0.749	S	S	*	*			trans	-84.8	123.1	165.7	179.8	0	0	0	0	109	N440 N444	N440-V442 PolarHBondContact O-N 3.43Å; V442-N444 WeakPolarHBondContact CG1-OD1 3.21Å; V442-N444 PolarHBondContact O-N 3.29Å
443	I	28.7	Very low	34.6	Very low	152 Å²	152	138.9 Å²	138.9	78%	0.779	75%	0.746	S	S	*	*			trans	-85	92.1	170.8	-55.5	-179.1	0	0	0	108.2	V445	I443-V445 HydrophobicContact CG2-CG2 3.75Å; I443-V445 PolarHBondContact O-N 2.91Å; I443-V445 VanDerWaalsContact O-N 3.16Å
444	N	25.1	Very low	36.7	Very low	142 Å²	142	141.2 Å²	141.2	76%	0.759	75%	0.748	S	S	*	*			trans	-70.6	103.4	173.9	-80.6	-15.2	0	0	0	110.9	V442	V442-N444 WeakPolarHBondContact CG1-OD1 3.21Å; V442-N444 PolarHBondContact O-N 3.29Å
445	V	28.4	Very low	38.5	Very low	109 Å²	109	134.3 Å²	134.3	66%	0.661	71%	0.713	S	S	*	*			trans	-114.2	58.8	169.5	-168.4	0	0	0	0	110.1	I443 V447	I443-V445 HydrophobicContact CG2-CG2 3.75Å; I443-V445 PolarHBondContact O-N 2.91Å; I443-V445 VanDerWaalsContact O-N 3.16Å; V445-V447 HydrophobicContact CG1-CG2 3.65Å; V445-V447 PolarHBondContact O-N 3.45Å
446	A	24.9	Very low	40.5	Very low	86 Å²	86	134 Å²	134	71%	0.711	71%	0.706	S	S	*	*			trans	-78.6	64.7	175.8	0	0	0	0	0	111.5	T448	A446-T448 PolarHBondContact O-N 3.49Å
447	V	31.6	Very low	42.4	Very low	111 Å²	111	130.6 Å²	130.6	67%	0.673	70%	0.698	S	S	*	*			trans	-80.3	71.7	-178.2	-174.8	0	0	0	0	110.7	V445 E449	V445-V447 HydrophobicContact CG1-CG2 3.65Å; V445-V447 PolarHBondContact O-N 3.45Å; V447-E449 HydrophobicContact CG1-CB 4.36Å
448	T	30.3	Very low	44.8	Very low	136 Å²	136	129.2 Å²	129.2	83%	0.834	68%	0.678	S	S	*	*			trans	-90.6	28.4	162.6	53.2	0	0	0	0	111.7	A446	A446-T448 PolarHBondContact O-N 3.49Å
449	E	37.5	Very low	46.5	Very low	174 Å²	174	126.4 Å²	126.4	81%	0.813	66%	0.662	S	S	*	*			trans	-78.9	123.6	176.9	-65.3	-132.7	125.4	0	0	111.1	V447 L451	V447-E449 HydrophobicContact CG1-CB 4.36Å; E449-L451 PolarHBondContact O-N 3.49Å
450	R	46.4	Very low	47.9	Very low	240 Å²	240	120.9 Å²	120.9	91%	0.906	65%	0.653	S	S	*	*			trans	-73.7	127.8	177.4	-68.3	174.5	173.7	144.2	-1.2	109.8
451	L	57.1	Low	49.7	Very low	83 Å²	83	118.5 Å²	118.5	44%	0.435	65%	0.645	S	S	.	*			trans	-38.3	129.4	165.6	-86.9	166.1	0	0	0	111.1	E449 K453 M455 Y466	E449-L451 PolarHBondContact O-N 3.49Å; L451-K453 PolarHBondContact O-N 2.71Å; L451-M455 HydrophobicContact CD2-CB 4.15Å; L451-Y466 HydrophobicContact CD2-CD1 4.19Å; L451-Y466 HydrophobicContact CD2-CE1 4.17Å
452	P	65.9	Low	51.6	Low	53 Å²	53	117 Å²	117	34%	0.344	63%	0.628	S	S	.	*			trans	-53	141.9	176.4	-27.7	34.6	0	0	0	111.5	E454 M455 S456 Y466	P452-E454 PolarHBondContact O-N 2.64Å; P452-M455 HydrophobicContact CB-CB 4.49Å; P452-M455 HydrophobicContact CB-CG 4.28Å; P452-M455 HydrophobicContact CG-CG 4.3Å; P452-M455 WeakPolarHBondContact O-CB 3.38Å; P452-M455 PolarHBondContact O-N 2.85Å; P452-S456 PolarHBondContact O-N 2.85Å; P452-S456 VanDerWaalsContact O-N 3.13Å; P452-Y466 WeakPolarHBondContact CG-OH 3.32Å
453	K	64	Low	53.8	Low	185 Å²	185	113.4 Å²	113.4	80%	0.804	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-10.9	-178.6	-70.9	178.9	178.7	170.8	0	114.6	L451 S456	L451-K453 PolarHBondContact O-N 2.71Å; K453-S456 PolarHBondContact O-OG 3.04Å
454	E	69.3	Low	55.3	Low	163 Å²	163	108.4 Å²	108.4	76%	0.762	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-33.7	176	-59.3	-177.6	169.8	0	0	111.5	P452	P452-E454 PolarHBondContact O-N 2.64Å
455	M	71.1	Confident	57.5	Low	22 Å²	22	104 Å²	104	11%	0.108	57%	0.569	C	S	.	*	G	3₁₀ helix	trans	-70.6	-34.3	171.5	-70.6	-53.6	-51.1	0	0	112.2	L451 P452 K457 K458 E462 I463 Y466	L451-M455 HydrophobicContact CD2-CB 4.15Å; P452-M455 HydrophobicContact CB-CB 4.49Å; P452-M455 HydrophobicContact CB-CG 4.28Å; P452-M455 HydrophobicContact CG-CG 4.3Å; P452-M455 WeakPolarHBondContact O-CB 3.38Å; P452-M455 PolarHBondContact O-N 2.85Å; M455-K457 PolarHBondContact O-N 2.99Å; M455-K458 HydrophobicContact CE-CB 4.48Å; M455-K458 HydrophobicContact CE-CD 3.82Å; M455-K458 PolarHBondContact O-N 3.3Å; M455-K458 VanDerWaalsContact O-N 3.11Å; M455-K458 HydrophobicContact SD-CD 3.69Å; M455-E462 WeakPolarHBondContact CE-O 3.32Å; M455-I463 HydrophobicContact CE-CG1 4.24Å; M455-Y466 VanDerWaalsContact CE-CB 3.47Å; M455-Y466 HydrophobicContact CE-CD1 4.36Å; M455-Y466 HydrophobicContact CE-CD2 4.26Å; M455-Y466 HydrophobicContact CE-CG 3.8Å; M455-Y466 HydrophobicContact CG-CD1 4.18Å; M455-Y466 HydrophobicContact CG-CD2 4.06Å; M455-Y466 HydrophobicContact CG-CE1 4.24Å; M455-Y466 HydrophobicContact CG-CE2 4.14Å; M455-Y466 HydrophobicContact CG-CG 4.09Å; M455-Y466 HydrophobicContact SD-CD2 3.85Å; M455-Y466 HydrophobicContact SD-CE2 4.4Å; M455-Y466 HydrophobicContact SD-CG 3.98Å
456	S	66.9	Low	59.6	Low	74 Å²	74	103.5 Å²	103.5	52%	0.517	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-68.3	14.6	-178.7	82.1	0	0	0	0	115.5	P452 K453	P452-S456 PolarHBondContact O-N 2.85Å; P452-S456 VanDerWaalsContact O-N 3.13Å; K453-S456 PolarHBondContact O-OG 3.04Å
457	K	71.6	Confident	61.6	Low	184 Å²	184	103.7 Å²	103.7	80%	0.8	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-134.8	-2	178.1	-62.7	-175.3	-177.1	178.4	0	113.3	M455	M455-K457 PolarHBondContact O-N 2.99Å
458	K	77.6	Confident	63	Low	79 Å²	79	105.9 Å²	105.9	34%	0.343	55%	0.547	S	S	.	.	S	Bend	trans	-85.6	153.3	-179.8	-76.9	176.9	159.7	-76.9	0	110.4	M455 E462 I463	M455-K458 HydrophobicContact CE-CB 4.48Å; M455-K458 HydrophobicContact CE-CD 3.82Å; M455-K458 PolarHBondContact O-N 3.3Å; M455-K458 VanDerWaalsContact O-N 3.11Å; M455-K458 HydrophobicContact SD-CD 3.69Å; K458-E462 HydrophobicContact CB-CB 3.95Å; K458-E462 HydrophobicContact CD-CB 4.22Å; K458-E462 WeakPolarHBondContact CD-OE2 3.45Å; K458-E462 VanDerWaalsContact CG-OE2 3.27Å; K458-E462 WeakPolarHBondContact CG-OE2 3.48Å; K458-E462 IonicContact NZ-OE1 2.72Å; K458-E462 PolarHBondContact NZ-OE1 2.88Å; K458-E462 IonicContact NZ-OE2 3.06Å; K458-E462 PolarHBondContact NZ-OE2 3.13Å; K458-I463 HydrophobicContact CB-CG1 4.47Å; K458-I463 WeakPolarHBondContact O-CD1 3.41Å
459	P	68.9	Low	64.6	Low	84 Å²	84	108 Å²	108	55%	0.545	55%	0.545	S	S	.	.			trans	-64.7	154.9	175.8	29.9	-36.5	0	0	0	111	P461 E462 I463	P459-P461 VanDerWaalsContact C-N 3.33Å; P459-P461 VanDerWaalsContact O-N 3.13Å; P459-E462 HydrophobicContact CG-CG 4.3Å; P459-E462 PolarHBondContact O-N 3.16Å; P459-I463 PolarHBondContact O-N 2.96Å
460	A	59.1	Low	65.3	Low	76 Å²	76	102.9 Å²	102.9	63%	0.628	53%	0.528	S	S	*	.	H	α-helix	trans	-50.1	-39.2	-172.8	0	0	0	0	0	115.4	E462 I463 A464	A460-E462 VanDerWaalsContact C-N 3.31Å; A460-E462 PolarHBondContact O-N 3.33Å; A460-I463 PolarHBondContact O-N 3.38Å; A460-I463 VanDerWaalsContact O-N 3.13Å; A460-A464 PolarHBondContact O-N 2.97Å
461	P	65.1	Low	65	Low	99 Å²	99	97 Å²	97	64%	0.643	52%	0.515	S	S	*	.	H	α-helix	trans	-61.7	-33.3	177.1	-25.2	36.3	0	0	0	114.2	P459 A465	P459-P461 VanDerWaalsContact C-N 3.33Å; P459-P461 VanDerWaalsContact O-N 3.13Å; P461-A465 VanDerWaalsContact O-CB 3.27Å; P461-A465 WeakPolarHBondContact O-CB 3.4Å; P461-A465 PolarHBondContact O-N 2.78Å
462	E	69.4	Low	64	Low	86 Å²	86	98.8 Å²	98.8	40%	0.402	53%	0.531	S	S	.	.	H	α-helix	trans	-74.7	-32.2	175.3	-71.7	-158.2	99.4	0	0	112.2	M455 K458 P459 A460 Y466	M455-E462 WeakPolarHBondContact CE-O 3.32Å; K458-E462 HydrophobicContact CB-CB 3.95Å; K458-E462 HydrophobicContact CD-CB 4.22Å; K458-E462 WeakPolarHBondContact CD-OE2 3.45Å; K458-E462 VanDerWaalsContact CG-OE2 3.27Å; K458-E462 WeakPolarHBondContact CG-OE2 3.48Å; K458-E462 IonicContact NZ-OE1 2.72Å; K458-E462 PolarHBondContact NZ-OE1 2.88Å; K458-E462 IonicContact NZ-OE2 3.06Å; K458-E462 PolarHBondContact NZ-OE2 3.13Å; P459-E462 HydrophobicContact CG-CG 4.3Å; P459-E462 PolarHBondContact O-N 3.16Å; A460-E462 VanDerWaalsContact C-N 3.31Å; A460-E462 PolarHBondContact O-N 3.33Å; E462-Y466 WeakPolarHBondContact O-CB 3.36Å; E462-Y466 PolarHBondContact O-N 2.84Å
463	I	71.5	Confident	62.6	Low	43 Å²	43	101.4 Å²	101.4	22%	0.221	55%	0.551	C	S	.	*	H	α-helix	trans	-67.8	-44.6	173.6	-59.7	176.9	0	0	0	109.6	M455 K458 P459 A460 Y466 L467	M455-I463 HydrophobicContact CE-CG1 4.24Å; K458-I463 HydrophobicContact CB-CG1 4.47Å; K458-I463 WeakPolarHBondContact O-CD1 3.41Å; P459-I463 PolarHBondContact O-N 2.96Å; A460-I463 PolarHBondContact O-N 3.38Å; A460-I463 VanDerWaalsContact O-N 3.13Å; I463-Y466 WeakPolarHBondContact O-CB 3.34Å; I463-Y466 PolarHBondContact O-N 3.07Å; I463-L467 HydrophobicContact CG2-CD1 4.13Å; I463-L467 WeakPolarHBondContact O-CG 3.48Å; I463-L467 PolarHBondContact O-N 3.09Å
464	A	60.5	Low	61.2	Low	48 Å²	48	99 Å²	99	40%	0.397	55%	0.552	S	S	.	*	H	α-helix	trans	-60.5	-45.1	173.6	0	0	0	0	0	112	A460 Y466 L467 H468	A460-A464 PolarHBondContact O-N 2.97Å; A464-Y466 VanDerWaalsContact C-N 3.27Å; A464-Y466 PolarHBondContact O-N 2.81Å; A464-L467 PolarHBondContact O-N 2.87Å; A464-H468 PolarHBondContact O-N 2.6Å
465	A	70.9	Confident	59.3	Low	49 Å²	49	99.8 Å²	99.8	41%	0.405	56%	0.556	S	S	.	*	H	α-helix	trans	-66.5	-25.1	176.9	0	0	0	0	0	113.7	P461 K469	P461-A465 VanDerWaalsContact O-CB 3.27Å; P461-A465 WeakPolarHBondContact O-CB 3.4Å; P461-A465 PolarHBondContact O-N 2.78Å; A465-K469 WeakPolarHBondContact O-CB 3.44Å; A465-K469 WeakPolarHBondContact O-CD 3.43Å; A465-K469 VanDerWaalsContact O-CG 3.26Å; A465-K469 WeakPolarHBondContact O-CG 3.38Å; A465-K469 PolarHBondContact O-N 2.88Å
466	Y	72	Confident	57.5	Low	99 Å²	99	107.8 Å²	107.8	39%	0.388	59%	0.59	S	S	.	*	H	α-helix	trans	-74.2	-46.2	171	179.3	-98.8	0	0	0	111.1	L451 P452 M455 E462 I463 A464 H468 K469 S470	L451-Y466 HydrophobicContact CD2-CD1 4.19Å; L451-Y466 HydrophobicContact CD2-CE1 4.17Å; P452-Y466 WeakPolarHBondContact CG-OH 3.32Å; M455-Y466 VanDerWaalsContact CE-CB 3.47Å; M455-Y466 HydrophobicContact CE-CD1 4.36Å; M455-Y466 HydrophobicContact CE-CD2 4.26Å; M455-Y466 HydrophobicContact CE-CG 3.8Å; M455-Y466 HydrophobicContact CG-CD1 4.18Å; M455-Y466 HydrophobicContact CG-CD2 4.06Å; M455-Y466 HydrophobicContact CG-CE1 4.24Å; M455-Y466 HydrophobicContact CG-CE2 4.14Å; M455-Y466 HydrophobicContact CG-CG 4.09Å; M455-Y466 HydrophobicContact SD-CD2 3.85Å; M455-Y466 HydrophobicContact SD-CE2 4.4Å; M455-Y466 HydrophobicContact SD-CG 3.98Å; E462-Y466 WeakPolarHBondContact O-CB 3.36Å; E462-Y466 PolarHBondContact O-N 2.84Å; I463-Y466 WeakPolarHBondContact O-CB 3.34Å; I463-Y466 PolarHBondContact O-N 3.07Å; A464-Y466 VanDerWaalsContact C-N 3.27Å; A464-Y466 PolarHBondContact O-N 2.81Å; Y466-H468 PolarHBondContact O-N 3.23Å; Y466-K469 PolarHBondContact O-N 3Å; Y466-K469 VanDerWaalsContact O-N 3.07Å; Y466-S470 PolarHBondContact O-N 2.87Å; Y466-S470 PolarHBondContact O-OG 2.92Å
467	L	67	Low	55.8	Low	89 Å²	89	111 Å²	111	47%	0.466	60%	0.601	S	S	.	*	H	α-helix	trans	-63.8	-38.8	177.4	-68.2	168.9	0	0	0	112.6	I463 A464 K469 S470 N471	I463-L467 HydrophobicContact CG2-CD1 4.13Å; I463-L467 WeakPolarHBondContact O-CG 3.48Å; I463-L467 PolarHBondContact O-N 3.09Å; A464-L467 PolarHBondContact O-N 2.87Å; L467-K469 VanDerWaalsContact C-N 3.28Å; L467-K469 PolarHBondContact O-N 2.86Å; L467-S470 WeakPolarHBondContact CA-OG 3.03Å; L467-S470 PolarHBondContact O-N 2.91Å; L467-S470 PolarHBondContact O-OG 2.81Å; L467-N471 PolarHBondContact O-N 2.83Å
468	H	61.9	Low	53.7	Low	157 Å²	157	106.3 Å²	106.3	73%	0.727	60%	0.597	S	S	*	*	H	α-helix	trans	-63.2	-32.4	171.4	-105	-78.7	0	0	0	112.8	A464 Y466	A464-H468 PolarHBondContact O-N 2.6Å; Y466-H468 PolarHBondContact O-N 3.23Å
469	K	64.2	Low	51.6	Low	182 Å²	182	109.8 Å²	109.8	79%	0.791	62%	0.619	S	S	*	*	H	α-helix	trans	-81.6	-18	178.7	-76.3	176.8	180	-178.8	0	113.8	A465 Y466 L467	A465-K469 WeakPolarHBondContact O-CB 3.44Å; A465-K469 WeakPolarHBondContact O-CD 3.43Å; A465-K469 VanDerWaalsContact O-CG 3.26Å; A465-K469 WeakPolarHBondContact O-CG 3.38Å; A465-K469 PolarHBondContact O-N 2.88Å; Y466-K469 PolarHBondContact O-N 3Å; Y466-K469 VanDerWaalsContact O-N 3.07Å; L467-K469 VanDerWaalsContact C-N 3.28Å; L467-K469 PolarHBondContact O-N 2.86Å
470	S	50.6	Low	49.8	Very low	65 Å²	65	112.9 Å²	112.9	46%	0.455	63%	0.631	S	S	.	*	H	α-helix	trans	-84.4	-16	170.7	51.4	0	0	0	0	113.7	Y466 L467 P472	Y466-S470 PolarHBondContact O-N 2.87Å; Y466-S470 PolarHBondContact O-OG 2.92Å; L467-S470 WeakPolarHBondContact CA-OG 3.03Å; L467-S470 PolarHBondContact O-N 2.91Å; L467-S470 PolarHBondContact O-OG 2.81Å; S470-P472 VanDerWaalsContact C-CD 3.48Å; S470-P472 WeakPolarHBondContact O-CD 3.47Å
471	N	41.8	Very low	48.2	Very low	117 Å²	117	116.5 Å²	116.5	63%	0.626	64%	0.639	S	S	*	*			trans	-115.6	79.1	-176.5	-70.3	5.2	0	0	0	112.3	L467 S473	L467-N471 PolarHBondContact O-N 2.83Å; N471-S473 PolarHBondContact O-N 2.96Å
472	P	34.9	Very low	46.4	Very low	121 Å²	121	118.7 Å²	118.7	79%	0.786	65%	0.65	S	S	*	*			trans	-75.7	88.1	169.8	32	-33.6	0	0	0	110.5	S470	S470-P472 VanDerWaalsContact C-CD 3.48Å; S470-P472 WeakPolarHBondContact O-CD 3.47Å
473	S	37.2	Very low	44.5	Very low	107 Å²	107	118.5 Å²	118.5	75%	0.748	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-71.1	132.3	166.5	51.4	0	0	0	0	110.5	N471 E475	N471-S473 PolarHBondContact O-N 2.96Å; S473-E475 PolarHBondContact O-N 2.82Å
474	T	34.6	Very low	42.3	Very low	136 Å²	136	127.8 Å²	127.8	83%	0.834	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-64.9	124.4	-177.9	-38.9	0	0	0	0	112.1
475	E	28.9	Very low	40.9	Very low	179 Å²	179	133.6 Å²	133.6	84%	0.836	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-81.6	134	172.1	-61	174	137.3	0	0	111.2	S473	S473-E475 PolarHBondContact O-N 2.82Å
476	F	33.5	Very low	38.8	Very low	189 Å²	189	137.2 Å²	137.2	83%	0.829	74%	0.739	S	S	*	*			trans	-171.5	129.5	154.7	-93.3	-69.5	0	0	0	106.8
477	D	30.8	Very low	36.6	Very low	142 Å²	142	140 Å²	140	76%	0.759	76%	0.76	S	S	*	*			cis	-149	157	-8.5	-151.5	-17.4	0	0	0	109.1
478	A	27.6	Very low	34.7	Very low	85 Å²	85	140.5 Å²	140.5	70%	0.702	77%	0.771	S	S	*	*			trans	-133.5	102.4	-166.3	0	0	0	0	0	114.7
479	L	33.9	Very low	33	Very low	153 Å²	153	141 Å²	141	80%	0.801	77%	0.774	S	S	*	*			trans	-146.9	136.5	169.1	-63	172.9	0	0	0	108.6
480	N	31.5	Very low	31.2	Very low	149 Å²	149	139.4 Å²	139.4	80%	0.797	77%	0.774	S	S	*	*			cis	-153.7	161.9	-9.3	-130.7	-19.6	0	0	0	110
481	L	24.9	Very low	30.3	Very low	152 Å²	152	142.3 Å²	142.3	80%	0.796	79%	0.789	S	S	*	*			trans	-95.9	162	-176	-73.7	162	0	0	0	113.8
482	T	27.9	Very low	29.6	Very low	145 Å²	145	145.2 Å²	145.2	89%	0.89	80%	0.798	S	S	*	*			trans	76.3	138.5	163.3	74.6	0	0	0	0	118.7
483	G	28.2	Very low	29.3	Very low	81 Å²	81	148.7 Å²	148.7	84%	0.835	80%	0.801	S	S	*	*			trans	164.5	134.3	174	0	0	0	0	0	110.9
484	R	26.2	Very low	28.9	Very low	239 Å²	239	148.2 Å²	148.2	90%	0.902	80%	0.796	S	S	*	*			trans	-130.5	175.5	178	-146.3	-176.2	-173.5	-167.5	1.6	108.1
485	E	30.6	Very low	28.6	Very low	170 Å²	170	147.7 Å²	147.7	79%	0.794	80%	0.795	S	S	*	*			trans	80.4	107	177.6	-58.8	171.3	-169.2	0	0	112.6
486	T	26	Very low	28.8	Very low	124 Å²	124	149.3 Å²	149.3	76%	0.761	80%	0.8	S	S	*	*				82.2	135.7	59.9	61.2	0	0	0	0	114.9
487	L	26.8	Very low	28.6	Very low	159 Å²	159	146.3 Å²	146.3	83%	0.832	79%	0.792	S	S	*	*			trans	88.3	94.6	168.8	-59.6	175.5	0	0	0	118.6
488	S	26	Very low	28.4	Very low	98 Å²	98	149 Å²	149	69%	0.685	79%	0.791	S	S	*	*				77.9	151.7	116.9	63.7	0	0	0	0	123.3
489	E	27.2	Very low	28.4	Very low	169 Å²	169	153.7 Å²	153.7	79%	0.79	80%	0.796	S	S	*	*			trans	78.2	101	158.7	-73.7	167.8	-170	0	0	119.6
490	D	26.7	Very low	28.3	Very low	147 Å²	147	157.3 Å²	157.3	79%	0.786	80%	0.801	S	S	*	*				53.6	98.1	128	-60.7	5.1	0	0	0	120
491	T	31.5	Very low	28.2	Very low	127 Å²	127	159.8 Å²	159.8	78%	0.779	80%	0.8	S	S	*	*			trans	-144	120.9	135.8	-51.8	0	0	0	0	110.3	F493	T491-F493 HydrophobicContact CG2-CE2 4.41Å
492	H	26.4	Very low	28.5	Very low	178 Å²	178	159.5 Å²	159.5	82%	0.824	80%	0.8	S	S	*	*			trans	-68.2	139.1	176.4	-73.6	-86.3	0	0	0	112.4
493	F	29.8	Very low	28.6	Very low	193 Å²	193	155.7 Å²	155.7	85%	0.846	79%	0.789	S	S	*	*			trans	-126.4	128.1	148	-79.8	-82.2	0	0	0	109.1	T491	T491-F493 HydrophobicContact CG2-CE2 4.41Å
494	P	29	Very low	28.9	Very low	98 Å²	98	163.2 Å²	163.2	64%	0.636	79%	0.794	S	S	*	*			trans	-84.9	160.4	-171.8	34.1	-36.3	0	0	0	113.1
495	P	26.9	Very low	29.1	Very low	124 Å²	124	159.6 Å²	159.6	81%	0.805	79%	0.787	S	S	*	*			trans	-72.5	144.2	173.8	31.6	-35.3	0	0	0	111.6	D497	P495-D497 PolarHBondContact O-N 2.81Å
496	F	33.1	Very low	29.2	Very low	214 Å²	214	157.3 Å²	157.3	94%	0.939	78%	0.781	S	S	*	*			trans	-90.7	101.6	171.4	-92.1	-82	0	0	0	111.2
497	D	29.4	Very low	29.4	Very low	125 Å²	125	159.1 Å²	159.1	67%	0.668	78%	0.784	S	S	*	*			trans	-112.3	147.4	166.4	-173	25.1	0	0	0	110.7	P495	P495-D497 PolarHBondContact O-N 2.81Å
498	R	27.7	Very low	29.5	Very low	199 Å²	199	155.1 Å²	155.1	75%	0.751	78%	0.781	S	S	*	*	S	Bend	trans	35.3	119.2	159.8	-83.5	159.9	177.8	-170.7	-1	122
499	K	27.2	Very low	29.5	Very low	183 Å²	183	155.6 Å²	155.6	80%	0.796	78%	0.784	S	S	*	*			trans	70.7	117.2	141.7	-56.3	175.6	-179.2	-174.4	0	119.2
500	Y	32.4	Very low	29.9	Very low	229 Å²	229	152.7 Å²	152.7	90%	0.898	78%	0.78	S	S	*	*			trans	-177	159.2	138.6	-89	-79	0	0	0	106.5
501	Y	29.3	Very low	30	Very low	201 Å²	201	155.5 Å²	155.5	79%	0.788	78%	0.781	S	S	*	*			cis	-165.9	175	-43.1	-151.9	-95.6	0	0	0	108.1
502	D	31.5	Very low	29.9	Very low	147 Å²	147	155.7 Å²	155.7	79%	0.786	78%	0.778	S	S	*	*			trans	-61.6	153.2	175.6	-70.1	-70	0	0	0	115.2
503	G	28.7	Very low	29.9	Very low	65 Å²	65	151.7 Å²	151.7	67%	0.67	77%	0.766	S	S	*	*			trans	119.9	114.1	136.9	0	0	0	0	0	117.6
504	Y	35.1	Very low	29.7	Very low	238 Å²	238	151.2 Å²	151.2	93%	0.933	76%	0.764	S	S	*	*			trans	-140	144.1	137.7	-100.6	-73.2	0	0	0	110.3
505	E	31	Very low	29.7	Very low	163 Å²	163	155.7 Å²	155.7	76%	0.762	77%	0.773	S	S	*	*			trans	-81.2	170.4	-163.8	-52.4	173.9	138.9	0	0	112.1
506	N	31.2	Very low	29.6	Very low	123 Å²	123	161 Å²	161	66%	0.658	78%	0.777	S	S	*	*				-173.5	156.1	56.4	-123.5	-52.3	0	0	0	116.3
507	I	30.6	Very low	29.4	Very low	161 Å²	161	159.6 Å²	159.6	83%	0.826	77%	0.771	S	S	*	*			trans	65.8	125.7	158.4	-55.8	157	0	0	0	118.7
508	G	29.1	Very low	29.3	Very low	76 Å²	76	158.8 Å²	158.8	78%	0.784	77%	0.771	S	S	*	*			trans	143.7	30.4	149.1	0	0	0	0	0	122.8
509	S	26.8	Very low	29.3	Very low	107 Å²	107	156.5 Å²	156.5	75%	0.748	77%	0.772	S	S	*	*			trans	-73.9	161.8	168.2	-147.5	0	0	0	0	111.3
510	P	35.1	Very low	29.4	Very low	108 Å²	108	154.4 Å²	154.4	70%	0.701	77%	0.77	S	S	*	*			cis	-142.9	-174.9	18.4	42.7	-21.8	0	0	0	118.4
511	Y	28.3	Very low	29.3	Very low	206 Å²	206	148 Å²	148	81%	0.808	75%	0.751	S	S	*	*			trans	-19.9	155.4	152.4	-55.2	-102.3	0	0	0	116.4
512	D	28.5	Very low	29.3	Very low	131 Å²	131	143 Å²	143	70%	0.701	75%	0.745	S	S	*	*			cis	-169.1	170.6	36.8	-160	25.9	0	0	0	115.8
513	T	27.9	Very low	29.3	Very low	94 Å²	94	145.2 Å²	145.2	58%	0.577	74%	0.743	S	S	*	*			trans	46	119.3	144.6	-73.7	0	0	0	0	122.7
514	F	25.7	Very low	29.6	Very low	183 Å²	183	151.3 Å²	151.3	80%	0.803	75%	0.751	S	S	*	*			trans	23.7	113.2	145.2	-68.4	-107.4	0	0	0	120.3
515	K	27.7	Very low	29.3	Very low	192 Å²	192	144.1 Å²	144.1	84%	0.835	74%	0.735	S	S	*	*				175.6	138.1	108	-94.2	148.6	-164.5	161.2	0	115.2
516	R	26.4	Very low	29.5	Very low	236 Å²	236	143.4 Å²	143.4	89%	0.891	74%	0.735	S	S	*	*			trans	23.9	141	138.3	-68.3	179.2	170.5	169.4	-3	121
517	K	28	Very low	29.5	Very low	185 Å²	185	144.5 Å²	144.5	80%	0.804	74%	0.736	S	S	*	*			trans	97.1	101.4	141.6	-89.8	-172.3	172.7	-166.6	0	120.3
518	T	26.6	Very low	29.5	Very low	108 Å²	108	143.6 Å²	143.6	66%	0.663	73%	0.732	S	S	*	*				59	132.6	120	57.3	0	0	0	0	122.5
519	L	28.5	Very low	29.5	Very low	151 Å²	151	144.6 Å²	144.6	79%	0.791	73%	0.727	S	S	*	*			trans	71.5	148.4	146.3	-92.4	80.8	0	0	0	117.5
520	D	28.4	Very low	29.7	Very low	139 Å²	139	144.3 Å²	144.3	74%	0.743	72%	0.724	S	S	*	*			cis	-159.1	171	-14.1	-144	-14.3	0	0	0	113.1
521	D	31.6	Very low	29.5	Very low	93 Å²	93	146.9 Å²	146.9	50%	0.497	73%	0.732	S	S	.	*			trans	16.3	145.8	158	-161.3	19.1	0	0	0	122.1	R523	D521-R523 IonicContact OD1-NE 2.94Å; D521-R523 IonicContact OD2-CZ 3.34Å; D521-R523 IonicContact OD2-NE 3.59Å; D521-R523 PolarHBondContact OD2-NE 2.93Å; D521-R523 VanDerWaalsContact OD2-NE 3.13Å; D521-R523 IonicContact OD2-NH2 3.67Å; D521-R523 PolarHBondContact OD2-NH2 2.89Å
522	S	29.4	Very low	29.5	Very low	96 Å²	96	141.2 Å²	141.2	67%	0.671	72%	0.722	S	S	*	*			trans	101.2	145.3	134.7	90.3	0	0	0	0	119.9
523	R	30	Very low	29.6	Very low	195 Å²	195	141.5 Å²	141.5	74%	0.736	72%	0.724	S	S	*	*			cis	-171.9	173.4	-19.4	-111.1	172.2	-140.6	-155.8	8.1	108.4	D521	D521-R523 IonicContact OD1-NE 2.94Å; D521-R523 IonicContact OD2-CZ 3.34Å; D521-R523 IonicContact OD2-NE 3.59Å; D521-R523 PolarHBondContact OD2-NE 2.93Å; D521-R523 VanDerWaalsContact OD2-NE 3.13Å; D521-R523 IonicContact OD2-NH2 3.67Å; D521-R523 PolarHBondContact OD2-NH2 2.89Å
524	K	34.8	Very low	29.6	Very low	193 Å²	193	143.1 Å²	143.1	84%	0.839	73%	0.728	S	S	*	*			trans	77	151.5	164.1	-66.1	168.7	-173.9	175.2	0	117.2
525	S	29.6	Very low	29.8	Very low	87 Å²	87	142.3 Å²	142.3	61%	0.608	73%	0.727	S	S	*	*			cis	176	176.2	-34.5	50.2	0	0	0	0	108.7
526	I	35.1	Very low	30	Very low	147 Å²	147	138.5 Å²	138.5	75%	0.754	72%	0.724	S	S	*	*			trans	78.1	135.3	163.4	-61.4	157.2	0	0	0	114.8
527	E	30.3	Very low	30.1	Very low	147 Å²	147	136.6 Å²	136.6	69%	0.687	73%	0.725	S	S	*	*			cis	178.5	162	-28	-121.7	177.5	156.6	0	0	109.3
528	I	31.8	Very low	30.3	Very low	142 Å²	142	131.4 Å²	131.4	73%	0.728	72%	0.724	S	S	*	*			trans	65.5	153.5	146.8	-70.7	167.1	0	0	0	117.3
529	S	28.4	Very low	30.4	Very low	97 Å²	97	136.1 Å²	136.1	68%	0.678	74%	0.735	S	S	*	*			cis	-175.9	164.1	-25.3	-86	0	0	0	0	108
530	S	32.3	Very low	30.6	Very low	100 Å²	100	137.7 Å²	137.7	70%	0.699	74%	0.743	S	S	*	*			cis	-174.9	137.7	-22.1	55.5	0	0	0	0	110.7
531	L	29.8	Very low	30.7	Very low	163 Å²	163	141.3 Å²	141.3	85%	0.853	75%	0.753	S	S	*	*			trans	59.6	145.6	141.5	-146.5	77.4	0	0	0	122.1
532	S	28.5	Very low	30.7	Very low	87 Å²	87	140.1 Å²	140.1	61%	0.608	76%	0.762	S	S	*	*			trans	105.9	113.6	146.1	-30.5	0	0	0	0	120.7
533	D	30.2	Very low	30.8	Very low	137 Å²	137	142 Å²	142	73%	0.733	77%	0.772	S	S	*	*				85.1	108	119.3	-66.3	12.8	0	0	0	125.8
534	L	27.9	Very low	30.8	Very low	127 Å²	127	137.1 Å²	137.1	67%	0.665	77%	0.773	S	S	*	*				78	128	122.6	-89.8	59.7	0	0	0	123.4
535	H	30	Very low	30.7	Very low	167 Å²	167	133.5 Å²	133.5	77%	0.773	77%	0.77	S	S	*	*			trans	54.5	125.9	149.6	-54.1	126.4	0	0	0	118.9
536	S	32	Very low	30.8	Very low	112 Å²	112	138.1 Å²	138.1	78%	0.783	78%	0.782	S	S	*	*				-177.9	179.9	58.1	52.1	0	0	0	0	113.6
537	H	29.4	Very low	30.6	Very low	195 Å²	195	139.5 Å²	139.5	90%	0.903	79%	0.79	S	S	*	*			trans	-52.3	136.5	-168.9	-52.2	-76.1	0	0	0	118.7
538	G	32.3	Very low	30.5	Very low	76 Å²	76	137.2 Å²	137.2	78%	0.784	80%	0.795	S	S	*	*			trans	-150.7	131.1	156.6	0	0	0	0	0	111.3
539	K	28.3	Very low	30.4	Very low	207 Å²	207	134.9 Å²	134.9	90%	0.9	80%	0.797	S	S	*	*			trans	-115.3	121.4	179.4	-68.4	177.6	-176.6	169.1	0	111
540	L	32.7	Very low	30.4	Very low	184 Å²	184	137.5 Å²	137.5	96%	0.963	80%	0.803	S	S	*	*			trans	-135.4	163	159.8	-77.3	176.2	0	0	0	110.2
541	K	29.1	Very low	30.5	Very low	216 Å²	216	140.7 Å²	140.7	94%	0.939	81%	0.811	S	S	*	*			trans	-112.3	142.6	-173.2	-63.1	178.1	178.8	179.4	0	111.2
542	G	32.4	Very low	30.5	Very low	68 Å²	68	141.6 Å²	141.6	70%	0.701	81%	0.81	S	S	*	*			trans	-164.5	154.6	167.5	0	0	0	0	0	110.3
543	P	32.5	Very low	30.5	Very low	136 Å²	136	142.5 Å²	142.5	88%	0.883	82%	0.816	S	S	*	*			trans	-82.4	173.5	-178.3	33.9	-35	0	0	0	113.9
544	A	30.2	Very low	30.4	Very low	91 Å²	91	145.2 Å²	145.2	75%	0.752	82%	0.822	S	S	*	*			trans	-90	-175.2	-177.7	0	0	0	0	0	111.9
545	P	32	Very low	30.4	Very low	118 Å²	118	147.9 Å²	147.9	77%	0.766	83%	0.83	S	S	*	*			cis	-147	104.3	5.8	36.8	-12.5	0	0	0	116.9
546	E	31.6	Very low	30.4	Very low	184 Å²	184	145 Å²	145	86%	0.86	83%	0.827	S	S	*	*			trans	-135.1	2.5	-176.9	-67.8	-169.2	143.4	0	0	118.1
547	L	30.4	Very low	30.2	Very low	176 Å²	176	145.5 Å²	145.5	92%	0.921	83%	0.825	S	S	*	*			trans	-120.6	55.3	-167.5	-67.5	176.2	0	0	0	115.9
548	A	29.1	Very low	30	Very low	98 Å²	98	141 Å²	141	81%	0.81	82%	0.815	S	S	*	*	S	Bend	trans	-125.5	-10.2	167	0	0	0	0	0	114.4	L550	A548-L550 PolarHBondContact O-N 2.83Å; A548-L550 VanDerWaalsContact O-N 3.09Å
549	A	29.1	Very low	29.8	Very low	93 Å²	93	144.4 Å²	144.4	77%	0.769	82%	0.815	S	S	*	*	S	Bend	trans	-83.4	30.9	-175.9	0	0	0	0	0	114.4
550	L	29.3	Very low	29.9	Very low	153 Å²	153	143 Å²	143	80%	0.801	82%	0.817	S	S	*	*			trans	-137.5	35	-168.5	-149.7	78.1	0	0	0	115.7	A548	A548-L550 PolarHBondContact O-N 2.83Å; A548-L550 VanDerWaalsContact O-N 3.09Å
551	I	33.3	Very low	29.7	Very low	167 Å²	167	142.4 Å²	142.4	86%	0.856	81%	0.809	S	S	*	*	S	Bend	trans	-122.6	35.3	159	-39.5	-176.4	0	0	0	110.6
552	H	29.8	Very low	29.6	Very low	182 Å²	182	139.1 Å²	139.1	84%	0.843	80%	0.802	S	S	*	*			trans	-122.2	92.1	164.2	-80.5	-85.9	0	0	0	109.7
553	S	28.1	Very low	29.5	Very low	105 Å²	105	144.1 Å²	144.1	73%	0.734	81%	0.811	S	S	*	*			trans	-176.7	160.4	149.4	52.3	0	0	0	0	111.5
554	K	29.5	Very low	29.2	Very low	195 Å²	195	143.3 Å²	143.3	85%	0.848	80%	0.803	S	S	*	*			trans	76.2	73.6	167.1	-53.4	-169.5	-178.5	-176.2	0	118.5
555	H	27.8	Very low	29	Very low	182 Å²	182	146.7 Å²	146.7	84%	0.843	81%	0.807	S	S	*	*				-43.7	151	122.5	-90.5	-66.8	0	0	0	111.2
556	P	30	Very low	28.7	Very low	108 Å²	108	144.7 Å²	144.7	70%	0.701	80%	0.8	S	S	*	*				-151.9	178	76.7	43.1	-23.6	0	0	0	118.2
557	T	26.6	Very low	28.4	Very low	122 Å²	122	145 Å²	145	75%	0.748	80%	0.802	S	S	*	*			trans	-22.5	158.3	152.8	54.3	0	0	0	0	117.4
558	S	26.7	Very low	28.4	Very low	99 Å²	99	140.7 Å²	140.7	69%	0.692	80%	0.8	S	S	*	*			cis	-173.6	170.6	-0.7	41.2	0	0	0	0	110.4
559	N	26.9	Very low	28.2	Very low	148 Å²	148	140.8 Å²	140.8	79%	0.791	79%	0.794	S	S	*	*			trans	17.7	128.3	152.9	-54.9	10.3	0	0	0	120
560	L	30.3	Very low	28.3	Very low	177 Å²	177	143.4 Å²	143.4	93%	0.927	80%	0.796	S	S	*	*			trans	-143.1	129.1	141.6	-156.3	75	0	0	0	109.7
561	E	28.1	Very low	28.3	Very low	173 Å²	173	139.7 Å²	139.7	81%	0.808	78%	0.782	S	S	*	*			trans	-93.3	165.1	176.1	-66.7	172.6	130.6	0	0	111.2
562	D	28.6	Very low	28.2	Very low	147 Å²	147	140 Å²	140	79%	0.786	78%	0.78	S	S	*	*			trans	20.6	130.4	156.8	-67.1	-2.9	0	0	0	121.3
563	I	29.4	Very low	28.1	Very low	172 Å²	172	138.7 Å²	138.7	88%	0.882	78%	0.778	S	S	*	*				-156.2	124.5	120.9	-100.3	148	0	0	0	109.8
564	T	26.3	Very low	28.1	Very low	119 Å²	119	145.4 Å²	145.4	73%	0.73	79%	0.787	S	S	*	*			trans	-84.3	148.7	170.2	-39.3	0	0	0	0	110.2
565	I	25.5	Very low	28	Very low	163 Å²	163	141.5 Å²	141.5	84%	0.836	78%	0.781	S	S	*	*			trans	177.2	153.7	139.6	-96.6	155	0	0	0	113
566	A	26.8	Very low	27.9	Very low	75 Å²	75	142.2 Å²	142.2	62%	0.62	78%	0.782	S	S	*	*			trans	63.3	98.7	161.1	0	0	0	0	0	120.8
567	Q	24.4	Very low	27.8	Very low	191 Å²	191	143.9 Å²	143.9	89%	0.893	79%	0.791	S	S	*	*				39.8	91.2	115.3	-62.3	173.3	-79.5	0	0	118.5
568	G	30.6	Very low	28	Very low	85 Å²	85	143.8 Å²	143.8	88%	0.876	79%	0.792	S	S	*	*			trans	-119.6	79.2	156.3	0	0	0	0	0	110.4
569	S	26	Very low	28	Very low	100 Å²	100	143.3 Å²	143.3	70%	0.699	79%	0.794	S	S	*	*			trans	-106.1	103.3	-169.7	57.9	0	0	0	0	114
570	D	29.4	Very low	27.9	Very low	148 Å²	148	143.8 Å²	143.8	79%	0.791	80%	0.797	S	S	*	*			trans	-156	118.1	154.5	-100.1	-43.7	0	0	0	107.1
571	S	30.3	Very low	27.9	Very low	75 Å²	75	143.9 Å²	143.9	52%	0.524	79%	0.793	S	S	.	*				83.5	136.1	64.8	84.9	0	0	0	0	112
572	H	31	Very low	27.8	Very low	175 Å²	175	140.9 Å²	140.9	81%	0.81	79%	0.791	S	S	*	*			cis	-130.4	177.6	-6.9	-58.3	-96.5	0	0	0	107.9
573	I	27.7	Very low	27.9	Very low	154 Å²	154	138.8 Å²	138.8	79%	0.79	79%	0.785	S	S	*	*			cis	-145.9	129.6	21.3	-56.3	166.7	0	0	0	111
574	R	27.8	Very low	27.8	Very low	246 Å²	246	142 Å²	142	93%	0.928	79%	0.786	S	S	*	*			trans	-139.7	137.2	141.9	-98.5	-169.6	176.3	-169.9	0.9	106.7
575	P	28.1	Very low	27.9	Very low	112 Å²	112	141 Å²	141	73%	0.727	78%	0.782	S	S	*	*				-144.6	172.4	127.6	37.9	-24.1	0	0	0	114.5
576	F	24.8	Very low	28.2	Very low	197 Å²	197	139.3 Å²	139.3	86%	0.864	78%	0.781	S	S	*	*			trans	-61	155	166.8	-65.5	-111.1	0	0	0	112.5
577	T	27.8	Very low	28.2	Very low	144 Å²	144	145.9 Å²	145.9	88%	0.883	79%	0.79	S	S	*	*				-168.3	161.5	118.4	17.5	0	0	0	0	110.7
578	P	31.2	Very low	28.5	Very low	119 Å²	119	147.5 Å²	147.5	77%	0.773	79%	0.79	S	S	*	*			trans	-118.6	-177.8	-156.4	44.2	-35.9	0	0	0	115.7
579	A	26	Very low	28.4	Very low	90 Å²	90	149.2 Å²	149.2	74%	0.744	78%	0.783	S	S	*	*			trans	79.7	125.4	153.8	0	0	0	0	0	119.6
580	D	25.6	Very low	28.6	Very low	158 Å²	158	155.7 Å²	155.7	85%	0.845	79%	0.792	S	S	*	*			trans	66.7	160.5	151.6	-108.7	-46.1	0	0	0	121.4
581	Q	30.3	Very low	28.5	Very low	179 Å²	179	156.3 Å²	156.3	84%	0.836	79%	0.79	S	S	*	*			trans	70	112.8	175.9	-53.3	-177	48.2	0	0	118.2
582	S	25.7	Very low	28.4	Very low	109 Å²	109	158.6 Å²	158.6	76%	0.762	80%	0.804	S	S	*	*			trans	-68.8	154.2	148.5	84.7	0	0	0	0	109.4
583	P	30.5	Very low	28.3	Very low	104 Å²	104	155.5 Å²	155.5	68%	0.675	80%	0.802	S	S	*	*				-157.5	155.1	72.5	39.6	-19.2	0	0	0	119.3
584	R	27.2	Very low	28.3	Very low	238 Å²	238	153 Å²	153	90%	0.898	80%	0.798	S	S	*	*			trans	69.5	160.4	146	-75.4	177.6	178.2	-178.7	0.6	119.6
585	P	29.9	Very low	28.5	Very low	98 Å²	98	147.2 Å²	147.2	64%	0.636	79%	0.785	S	S	*	*			trans	-114.3	159.4	-159.6	40.8	-31.7	0	0	0	115.4
586	P	32.1	Very low	28.8	Very low	128 Å²	128	149.5 Å²	149.5	83%	0.831	79%	0.79	S	S	*	*			trans	-82.2	110	154.2	32.5	-28.2	0	0	0	110.3
587	R	26.1	Very low	29.2	Very low	214 Å²	214	144.6 Å²	144.6	81%	0.808	79%	0.786	S	S	*	*			trans	-76.3	132.5	158.9	-69.8	174.1	172.9	166.2	-4.7	108.4
588	Y	31.5	Very low	29.5	Very low	225 Å²	225	143.7 Å²	143.7	88%	0.882	78%	0.776	S	S	*	*			trans	-172.3	74.2	142.6	-92.3	-60.4	0	0	0	108.7
589	T	28	Very low	29.7	Very low	121 Å²	121	143.4 Å²	143.4	74%	0.742	77%	0.767	S	S	*	*				34.8	102.1	97.9	62.6	0	0	0	0	115.5
590	R	29.8	Very low	30.1	Very low	235 Å²	235	148 Å²	148	89%	0.887	77%	0.77	S	S	*	*				-133.4	147.3	129.3	-152.5	169.9	-170.4	174.1	3.1	109
591	E	27.5	Very low	31.3	Very low	161 Å²	161	144 Å²	144	75%	0.752	75%	0.749	S	S	*	*			trans	-73.2	150.4	-153	-60	120.4	122.3	0	0	115.4	S593	E591-S593 PolarHBondContact O-N 2.8Å
592	P	27.2	Very low	31.6	Very low	123 Å²	123	145.2 Å²	145.2	80%	0.799	75%	0.751	S	S	*	*			trans	-73.3	104.6	158.4	31.3	-30.8	0	0	0	109.4	S594	P592-S594 PolarHBondContact O-N 2.84Å; P592-S594 VanDerWaalsContact O-N 3.16Å
593	S	30	Very low	33.1	Very low	111 Å²	111	141.8 Å²	141.8	78%	0.776	73%	0.733	S	S	*	*			trans	-65.2	112.2	172.5	54.9	0	0	0	0	110.5	E591 D595	E591-S593 PolarHBondContact O-N 2.8Å; S593-D595 PolarHBondContact O-N 2.9Å
594	S	28.4	Very low	34.2	Very low	101 Å²	101	140.7 Å²	140.7	71%	0.706	72%	0.724	S	S	*	*			trans	-82.9	91.8	-166.7	57.7	0	0	0	0	114.2	P592	P592-S594 PolarHBondContact O-N 2.84Å; P592-S594 VanDerWaalsContact O-N 3.16Å
595	D	30.5	Very low	35.1	Very low	124 Å²	124	133 Å²	133	66%	0.663	71%	0.712	S	S	*	*			trans	-120.9	-25.1	172	-89.9	-51.8	0	0	0	115.2	S593 A597 N598	S593-D595 PolarHBondContact O-N 2.9Å; D595-A597 PolarHBondContact O-N 2.61Å; D595-N598 PolarHBondContact O-N 3.06Å
596	I	34.6	Very low	36.2	Very low	161 Å²	161	132.9 Å²	132.9	83%	0.826	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-66	-25.2	-174.1	-58.4	178.8	0	0	0	112.4
597	A	34.1	Very low	37.3	Very low	94 Å²	94	131.7 Å²	131.7	78%	0.777	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-80.8	-8.4	-178.5	0	0	0	0	0	115.4	D595	D595-A597 PolarHBondContact O-N 2.61Å
598	N	32.9	Very low	39	Very low	125 Å²	125	123.9 Å²	123.9	67%	0.668	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-117.6	8.8	-172.2	-85.6	-52.2	0	0	0	115	D595 K600	D595-N598 PolarHBondContact O-N 3.06Å; N598-K600 VanDerWaalsContact C-N 3.3Å; N598-K600 PolarHBondContact O-N 3.25Å
599	L	36.7	Very low	39.7	Very low	112 Å²	112	115.1 Å²	115.1	59%	0.586	64%	0.642	S	S	*	*			trans	-68.8	83.1	175.8	-95	161.3	0	0	0	111.8	L601	L599-L601 VanDerWaalsContact C-N 3.28Å; L599-L601 PolarHBondContact O-N 3.13Å
600	K	34.6	Very low	40.7	Very low	186 Å²	186	112.1 Å²	112.1	81%	0.809	63%	0.629	S	S	*	*			trans	-64.2	87.6	165.8	-72.9	-179.2	178.7	174.4	0	109.5	N598 K602	N598-K600 VanDerWaalsContact C-N 3.3Å; N598-K600 PolarHBondContact O-N 3.25Å; K600-K602 VanDerWaalsContact C-N 3.34Å; K600-K602 PolarHBondContact O-N 2.93Å
601	L	49.5	Very low	42.1	Very low	76 Å²	76	104 Å²	104	40%	0.398	60%	0.603	S	S	.	*			trans	-59.9	94	172	-67.8	171.7	0	0	0	109.4	L599 G603 I608 I611	L599-L601 VanDerWaalsContact C-N 3.28Å; L599-L601 PolarHBondContact O-N 3.13Å; L601-G603 PolarHBondContact O-N 3.39Å; L601-I608 HydrophobicContact CB-CD1 4.37Å; L601-I608 HydrophobicContact CB-CG1 4.16Å; L601-I608 HydrophobicContact CD1-CG2 4.11Å; L601-I608 WeakPolarHBondContact O-CD1 3.15Å; L601-I611 HydrophobicContact CD2-CG2 4.19Å
602	K	38	Very low	43.5	Very low	203 Å²	203	100.8 Å²	100.8	88%	0.883	59%	0.59	S	S	*	*			trans	-82.5	106.7	170.8	-76.2	-175.3	176.6	-179.6	0	108.5	K600	K600-K602 VanDerWaalsContact C-N 3.34Å; K600-K602 PolarHBondContact O-N 2.93Å
603	G	57.1	Low	44.4	Very low	37 Å²	37	101.1 Å²	101.1	38%	0.381	58%	0.581	S	S	.	*	S	Bend	trans	-169.2	170.6	172.4	0	0	0	0	0	109.4	L601	L601-G603 PolarHBondContact O-N 3.39Å
604	T	53.2	Low	45.1	Very low	82 Å²	82	99.7 Å²	99.7	50%	0.503	57%	0.571	S	S	.	*			trans	-65.9	156.9	161.7	61.8	0	0	0	0	109.9	P606 E607 I608	T604-P606 VanDerWaalsContact C-CD 3.44Å; T604-P606 VanDerWaalsContact C-N 3.29Å; T604-E607 WeakPolarHBondContact CB-OE2 3.01Å; T604-E607 PolarHBondContact N-OE2 2.78Å; T604-E607 WeakPolarHBondContact O-CB 3.41Å; T604-E607 PolarHBondContact O-N 2.82Å; T604-E607 PolarHBondContact OG1-OE2 3.06Å; T604-I608 PolarHBondContact O-N 3.23Å
605	A	46.2	Very low	45.7	Very low	77 Å²	77	103.9 Å²	103.9	64%	0.636	57%	0.571	S	S	*	*	H	α-helix	trans	-54.2	-37.1	-179.5	0	0	0	0	0	114	I608 A609	A605-I608 PolarHBondContact O-N 2.97Å; A605-A609 WeakPolarHBondContact O-CB 3.3Å; A605-A609 PolarHBondContact O-N 3.14Å
606	P	51.6	Low	46.1	Very low	94 Å²	94	102.6 Å²	102.6	61%	0.61	57%	0.568	S	S	*	*	H	α-helix	trans	-62.5	-38.1	171.7	-25.6	36.5	0	0	0	114.6	T604 A609 A610	T604-P606 VanDerWaalsContact C-CD 3.44Å; T604-P606 VanDerWaalsContact C-N 3.29Å; P606-A609 PolarHBondContact O-N 3.48Å; P606-A610 VanDerWaalsContact O-CB 3.28Å; P606-A610 WeakPolarHBondContact O-CB 3.08Å; P606-A610 PolarHBondContact O-N 3.29Å
607	E	56.1	Low	46	Very low	103 Å²	103	103.6 Å²	103.6	48%	0.481	57%	0.566	S	S	.	*	H	α-helix	trans	-67.6	-40.1	176.3	-69.2	165.1	112.9	0	0	111.2	T604 A610 I611	T604-E607 WeakPolarHBondContact CB-OE2 3.01Å; T604-E607 PolarHBondContact N-OE2 2.78Å; T604-E607 WeakPolarHBondContact O-CB 3.41Å; T604-E607 PolarHBondContact O-N 2.82Å; T604-E607 PolarHBondContact OG1-OE2 3.06Å; E607-A610 PolarHBondContact O-N 3.43Å; E607-I611 WeakPolarHBondContact O-CD1 3.43Å; E607-I611 VanDerWaalsContact O-CG1 3.24Å; E607-I611 WeakPolarHBondContact O-CG1 3.5Å; E607-I611 PolarHBondContact O-N 2.79Å
608	I	62.6	Low	45.8	Very low	50 Å²	50	104.5 Å²	104.5	26%	0.256	57%	0.567	S	S	.	*	H	α-helix	trans	-64	-45.4	176	-63.8	173.9	0	0	0	110.3	L601 T604 A605 A610 I611 I612	L601-I608 HydrophobicContact CB-CD1 4.37Å; L601-I608 HydrophobicContact CB-CG1 4.16Å; L601-I608 HydrophobicContact CD1-CG2 4.11Å; L601-I608 WeakPolarHBondContact O-CD1 3.15Å; T604-I608 PolarHBondContact O-N 3.23Å; A605-I608 PolarHBondContact O-N 2.97Å; I608-A610 PolarHBondContact O-N 2.75Å; I608-I611 PolarHBondContact O-N 2.65Å; I608-I612 HydrophobicContact CG2-CD1 4.1Å; I608-I612 WeakPolarHBondContact O-CG1 3.47Å; I608-I612 PolarHBondContact O-N 2.94Å
609	A	45	Very low	45.6	Very low	42 Å²	42	103.3 Å²	103.3	35%	0.347	57%	0.566	S	S	.	*	H	α-helix	trans	-62.3	-40.2	174.3	0	0	0	0	0	112.2	A605 P606 I612 H613	A605-A609 WeakPolarHBondContact O-CB 3.3Å; A605-A609 PolarHBondContact O-N 3.14Å; P606-A609 PolarHBondContact O-N 3.48Å; A609-I612 PolarHBondContact O-N 3.18Å; A609-H613 PolarHBondContact O-CD2 2.99Å; A609-H613 VanDerWaalsContact O-CD2 3.24Å; A609-H613 PolarHBondContact O-N 3.28Å
610	A	49.5	Very low	45.4	Very low	57 Å²	57	103.5 Å²	103.5	47%	0.471	57%	0.567	S	S	.	*	H	α-helix	trans	-65	-37.9	176	0	0	0	0	0	112.7	P606 E607 I608 I612 H613 S614	P606-A610 VanDerWaalsContact O-CB 3.28Å; P606-A610 WeakPolarHBondContact O-CB 3.08Å; P606-A610 PolarHBondContact O-N 3.29Å; E607-A610 PolarHBondContact O-N 3.43Å; I608-A610 PolarHBondContact O-N 2.75Å; A610-I612 VanDerWaalsContact C-N 3.34Å; A610-H613 PolarHBondContact O-N 3.14Å; A610-S614 VanDerWaalsContact O-CB 3.29Å; A610-S614 WeakPolarHBondContact O-CB 3.49Å; A610-S614 PolarHBondContact O-N 2.85Å; A610-S614 PolarHBondContact O-OG 3.03Å; A610-S614 VanDerWaalsContact O-OG 3.07Å
611	I	59.9	Low	45.2	Very low	66 Å²	66	102.3 Å²	102.3	34%	0.338	57%	0.565	S	S	.	*	H	α-helix	trans	-67.7	-34	174.7	-70	162.8	0	0	0	111.7	L601 E607 I608 S614 R615	L601-I611 HydrophobicContact CD2-CG2 4.19Å; E607-I611 WeakPolarHBondContact O-CD1 3.43Å; E607-I611 VanDerWaalsContact O-CG1 3.24Å; E607-I611 WeakPolarHBondContact O-CG1 3.5Å; E607-I611 PolarHBondContact O-N 2.79Å; I608-I611 PolarHBondContact O-N 2.65Å; I611-S614 PolarHBondContact O-OG 3.3Å; I611-R615 WeakPolarHBondContact O-CG 3.47Å; I611-R615 PolarHBondContact O-N 3.49Å
612	I	56.4	Low	44.3	Very low	93 Å²	93	106.1 Å²	106.1	48%	0.477	58%	0.58	S	S	.	*	H	α-helix	trans	-69.9	-49.7	174.1	-68.2	164.6	0	0	0	109.9	I608 A609 A610 S614 R615 T616	I608-I612 HydrophobicContact CG2-CD1 4.1Å; I608-I612 WeakPolarHBondContact O-CG1 3.47Å; I608-I612 PolarHBondContact O-N 2.94Å; A609-I612 PolarHBondContact O-N 3.18Å; A610-I612 VanDerWaalsContact C-N 3.34Å; I612-S614 PolarHBondContact O-N 2.88Å; I612-R615 PolarHBondContact O-N 3.5Å; I612-T616 PolarHBondContact O-N 3.08Å
613	H	45.6	Very low	43.7	Very low	129 Å²	129	101.9 Å²	101.9	60%	0.597	57%	0.567	S	S	*	*	H	α-helix	trans	-68.6	-32	-178.8	-76.7	-58.7	0	0	0	114.3	A609 A610 R615 T616	A609-H613 PolarHBondContact O-CD2 2.99Å; A609-H613 VanDerWaalsContact O-CD2 3.24Å; A609-H613 PolarHBondContact O-N 3.28Å; A610-H613 PolarHBondContact O-N 3.14Å; H613-R615 VanDerWaalsContact C-N 3.35Å; H613-T616 WeakPolarHBondContact CA-OG1 3.45Å; H613-T616 PolarHBondContact O-N 2.96Å; H613-T616 PolarHBondContact O-OG1 2.98Å
614	S	45.2	Very low	42.4	Very low	81 Å²	81	107.5 Å²	107.5	57%	0.566	59%	0.587	S	S	*	*	H	α-helix	trans	-69.4	-32.8	175.5	65	0	0	0	0	112.4	A610 I611 I612 T616 K617	A610-S614 VanDerWaalsContact O-CB 3.29Å; A610-S614 WeakPolarHBondContact O-CB 3.49Å; A610-S614 PolarHBondContact O-N 2.85Å; A610-S614 PolarHBondContact O-OG 3.03Å; A610-S614 VanDerWaalsContact O-OG 3.07Å; I611-S614 PolarHBondContact O-OG 3.3Å; I612-S614 PolarHBondContact O-N 2.88Å; S614-T616 VanDerWaalsContact C-N 3.25Å; S614-T616 PolarHBondContact O-N 2.93Å; S614-K617 PolarHBondContact O-N 3.23Å
615	R	41.3	Very low	41.1	Very low	190 Å²	190	108.3 Å²	108.3	72%	0.717	59%	0.592	S	S	*	*	H	α-helix	trans	-69.5	-19.3	173.2	-75.7	179.4	170.8	-156.1	-4.1	114	I611 I612 H613	I611-R615 WeakPolarHBondContact O-CG 3.47Å; I611-R615 PolarHBondContact O-N 3.49Å; I612-R615 PolarHBondContact O-N 3.5Å; H613-R615 VanDerWaalsContact C-N 3.35Å
616	T	39	Very low	40.1	Very low	97 Å²	97	111.2 Å²	111.2	60%	0.595	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	7.5	177.4	53.6	0	0	0	0	114.6	I612 H613 S614	I612-T616 PolarHBondContact O-N 3.08Å; H613-T616 WeakPolarHBondContact CA-OG1 3.45Å; H613-T616 PolarHBondContact O-N 2.96Å; H613-T616 PolarHBondContact O-OG1 2.98Å; S614-T616 VanDerWaalsContact C-N 3.25Å; S614-T616 PolarHBondContact O-N 2.93Å
617	K	32.2	Very low	39	Very low	181 Å²	181	111.5 Å²	111.5	79%	0.787	60%	0.596	S	S	*	*			trans	-137.1	73.9	-179	-71.9	-168.8	174.1	-175.1	0	113.3	S614	S614-K617 PolarHBondContact O-N 3.23Å
618	S	29.3	Very low	37.6	Very low	113 Å²	113	114 Å²	114	79%	0.79	61%	0.608	S	S	*	*			trans	-100	129.7	158.3	53.8	0	0	0	0	109.9
619	P	29.7	Very low	35.8	Very low	101 Å²	101	117 Å²	117	66%	0.656	63%	0.634	S	S	*	*			trans	-88	163.3	-176.6	35	-35.7	0	0	0	113.9
620	N	31.6	Very low	35.1	Very low	115 Å²	115	121 Å²	121	62%	0.615	66%	0.657	S	S	*	*			trans	105	119.7	168.5	-50.6	-40.9	0	0	0	115.7	K1082	N620-K1082 PolarHBondContact OD1-NZ 3.23Å
621	H	29.8	Very low	33.9	Very low	162 Å²	162	125.1 Å²	125.1	75%	0.75	67%	0.672	S	S	*	*			trans	71.1	144.5	140.2	-87.7	-113.7	0	0	0	123.5
622	E	30.6	Very low	32.7	Very low	156 Å²	156	127 Å²	127	73%	0.729	69%	0.688	S	S	*	*			trans	71.4	144.6	156.7	-77.1	142.4	-124.6	0	0	120.7
623	D	25.4	Very low	31.3	Very low	113 Å²	113	126.8 Å²	126.8	60%	0.604	70%	0.695	S	S	*	*			trans	-81.6	119.5	-169.9	-51.2	-98.4	0	0	0	112.2	N938	D623-N938 PolarHBondContact OD1-ND2 3.34Å
624	I	30.9	Very low	30.5	Very low	155 Å²	155	131 Å²	131	80%	0.795	71%	0.712	S	S	*	*			trans	-132.3	118	159.8	-73.2	93.5	0	0	0	110.2
625	T	24.5	Very low	29.7	Very low	99 Å²	99	130.4 Å²	130.4	61%	0.607	72%	0.718	S	S	*	*			trans	-85.5	163.9	168.5	-30.2	0	0	0	0	110.3
626	L	25.7	Very low	29.2	Very low	139 Å²	139	126.7 Å²	126.7	73%	0.728	72%	0.719	S	S	*	*			trans	75.5	156.5	167.2	-49.9	164.8	0	0	0	114.7
627	T	28	Very low	28.6	Very low	100 Å²	100	132.7 Å²	132.7	61%	0.613	73%	0.732	S	S	*	*			cis	-155.1	143.7	2.8	-11.4	0	0	0	0	112.7
628	Q	26.7	Very low	28.4	Very low	154 Å²	154	129.4 Å²	129.4	72%	0.72	73%	0.732	S	S	*	*			trans	43.9	151.2	135.7	-79	170	-34.2	0	0	124.6
629	S	26.5	Very low	28.3	Very low	115 Å²	115	130.4 Å²	130.4	80%	0.804	73%	0.734	S	S	*	*			trans	81	143.7	157.4	77.6	0	0	0	0	117.6
630	C	29.5	Very low	28.4	Very low	125 Å²	125	131.6 Å²	131.6	85%	0.845	74%	0.738	S	S	*	*			cis	-145.2	136.5	5.8	-138	0	0	0	0	113.8
631	D	25.1	Very low	28.1	Very low	144 Å²	144	133.1 Å²	133.1	77%	0.77	75%	0.747	S	S	*	*			trans	-70.1	-179.9	153.6	-117.5	-37.8	0	0	0	109.6
632	P	33.5	Very low	28.2	Very low	105 Å²	105	131.7 Å²	131.7	68%	0.682	75%	0.749	S	S	*	*			cis	-146.1	167.4	27.3	42.9	-22.4	0	0	0	119.3
633	S	26.4	Very low	28.2	Very low	89 Å²	89	129.5 Å²	129.5	62%	0.622	75%	0.752	S	S	*	*			trans	56	128.3	135.8	69.7	0	0	0	0	122.5
634	F	30.4	Very low	28.2	Very low	217 Å²	217	127.9 Å²	127.9	95%	0.952	76%	0.761	S	S	*	*				-153.3	137.9	117.4	-105.2	-73.9	0	0	0	110
635	G	27.3	Very low	28.4	Very low	68 Å²	68	130.2 Å²	130.2	70%	0.701	77%	0.766	S	S	*	*			trans	-105.3	-139.9	-173.7	0	0	0	0	0	114.9
636	P	32	Very low	28.6	Very low	113 Å²	113	134.7 Å²	134.7	73%	0.734	78%	0.777	S	S	*	*				-131.7	173.7	-82.3	40.7	-31	0	0	0	114.4
637	Y	24.8	Very low	28.9	Very low	223 Å²	223	134 Å²	134	88%	0.875	78%	0.78	S	S	*	*			trans	47.2	118	165.9	-66.1	-70.8	0	0	0	120.1
638	S	28.8	Very low	29.2	Very low	111 Å²	111	137.2 Å²	137.2	78%	0.776	79%	0.793	S	S	*	*			trans	-148.8	103.4	150.5	-172.4	0	0	0	0	110.7
639	T	26.7	Very low	29.7	Very low	135 Å²	135	139 Å²	139	83%	0.828	80%	0.798	S	S	*	*			trans	-78.8	118.5	170.6	46.4	0	0	0	0	110.2
640	V	31.9	Very low	30.4	Very low	125 Å²	125	138.2 Å²	138.2	76%	0.758	79%	0.79	S	S	*	*			trans	-144.4	125.2	164.1	-166.8	0	0	0	0	109.2
641	D	25.9	Very low	30.8	Very low	148 Å²	148	138.3 Å²	138.3	79%	0.791	79%	0.793	S	S	*	*			trans	-62.6	146.5	169.1	-65.2	-80.8	0	0	0	111.9
642	T	32.6	Very low	32	Very low	131 Å²	131	133.2 Å²	133.2	80%	0.804	78%	0.775	S	S	*	*				-175.6	122.9	122.3	20.7	0	0	0	0	113.9
643	S	29.5	Very low	32.6	Very low	111 Å²	111	130.9 Å²	130.9	78%	0.776	76%	0.761	S	S	*	*			trans	13.7	106.8	140.9	46.8	0	0	0	0	119.9
644	G	26.4	Very low	33.4	Very low	78 Å²	78	130.8 Å²	130.8	80%	0.804	77%	0.765	S	S	*	*				67.5	74.3	125.5	0	0	0	0	0	118.4
645	K	33.8	Very low	34.4	Very low	205 Å²	205	124.9 Å²	124.9	89%	0.891	75%	0.751	S	S	*	*			trans	-124	145	153.9	-71.7	179.7	-176.3	166.7	0	110.4
646	K	28.1	Very low	35.5	Very low	192 Å²	192	127 Å²	127	84%	0.835	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-63.1	144.7	-176.5	-65.2	173.3	179.4	174	0	110.5	L648	K646-L648 PolarHBondContact O-N 2.98Å
647	P	32.5	Very low	36.7	Very low	124 Å²	124	124.2 Å²	124.2	81%	0.805	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-57.2	136.5	164.9	26.4	-33.7	0	0	0	109.3
648	L	34.4	Very low	37.6	Very low	168 Å²	168	115.8 Å²	115.8	88%	0.88	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-67.3	137.7	-179.7	-74.5	121.9	0	0	0	110.1	K646	K646-L648 PolarHBondContact O-N 2.98Å
649	K	36.8	Very low	38.6	Very low	192 Å²	192	112.8 Å²	112.8	84%	0.835	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-69.2	129.1	164.4	-71.5	-173.1	173.7	-171.5	0	108.1	S651	K649-S651 PolarHBondContact O-N 2.91Å
650	P	41.7	Very low	39.8	Very low	98 Å²	98	110.5 Å²	110.5	64%	0.636	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-62.4	123.1	169	26.5	-32.9	0	0	0	108.9	I657	P650-I657 HydrophobicContact CB-CG1 4.4Å; P650-I657 HydrophobicContact CG-CD1 4.42Å
651	S	38.8	Very low	40.7	Very low	127 Å²	127	108.7 Å²	108.7	89%	0.888	65%	0.647	S	S	*	*			trans	-100.1	93	178.2	58	0	0	0	0	109.7	K649	K649-S651 PolarHBondContact O-N 2.91Å
652	G	50.7	Low	41.7	Very low	38 Å²	38	108.2 Å²	108.2	39%	0.392	64%	0.64	S	S	.	*	S	Bend	trans	-152.9	173.2	174.8	0	0	0	0	0	110.5
653	S	45.9	Very low	42.4	Very low	56 Å²	56	109 Å²	109	39%	0.392	63%	0.632	S	S	.	*			trans	-61.1	157.7	164.9	64.6	0	0	0	0	110.8	S655 E656 I657	S653-S655 PolarHBondContact O-N 3.16Å; S653-S655 VanDerWaalsContact O-N 3.11Å; S653-E656 VanDerWaalsContact CB-OE2 3.23Å; S653-E656 WeakPolarHBondContact CB-OE2 3.26Å; S653-E656 PolarHBondContact N-OE2 2.87Å; S653-E656 PolarHBondContact O-N 3.44Å; S653-E656 WeakPolarHBondContact OG-CG 3.42Å; S653-E656 PolarHBondContact OG-N 3.37Å; S653-E656 VanDerWaalsContact OG-N 3.13Å; S653-E656 PolarHBondContact OG-OE2 3Å; S653-I657 WeakPolarHBondContact O-CG1 3.33Å; S653-I657 PolarHBondContact O-N 2.98Å
654	A	43.4	Very low	42.9	Very low	86 Å²	86	109.2 Å²	109.2	71%	0.711	63%	0.625	S	S	*	*	H	α-helix	trans	-57.6	-27.2	174	0	0	0	0	0	112.3	A658	A654-A658 VanDerWaalsContact O-CB 3.26Å; A654-A658 WeakPolarHBondContact O-CB 3.46Å; A654-A658 PolarHBondContact O-N 3.08Å
655	S	49.9	Very low	43.5	Very low	94 Å²	94	109.5 Å²	109.5	66%	0.657	61%	0.607	S	S	*	*	H	α-helix	trans	-72.6	-39.2	174.6	-55.9	0	0	0	0	113.3	S653 A659	S653-S655 PolarHBondContact O-N 3.16Å; S653-S655 VanDerWaalsContact O-N 3.11Å; S655-A659 VanDerWaalsContact O-CB 3.29Å; S655-A659 WeakPolarHBondContact O-CB 3.4Å; S655-A659 PolarHBondContact O-N 3.39Å
656	E	51.7	Low	43.8	Very low	111 Å²	111	106.1 Å²	106.1	52%	0.519	60%	0.599	S	S	.	*	H	α-helix	trans	-67.6	-45.5	173	-75.9	157.2	119.4	0	0	111.2	S653 A658 A659 D660	S653-E656 VanDerWaalsContact CB-OE2 3.23Å; S653-E656 WeakPolarHBondContact CB-OE2 3.26Å; S653-E656 PolarHBondContact N-OE2 2.87Å; S653-E656 PolarHBondContact O-N 3.44Å; S653-E656 WeakPolarHBondContact OG-CG 3.42Å; S653-E656 PolarHBondContact OG-N 3.37Å; S653-E656 VanDerWaalsContact OG-N 3.13Å; S653-E656 PolarHBondContact OG-OE2 3Å; E656-A658 VanDerWaalsContact C-N 3.3Å; E656-A658 PolarHBondContact O-N 2.96Å; E656-A659 PolarHBondContact O-N 2.87Å; E656-D660 PolarHBondContact O-N 3.09Å
657	I	56.6	Low	44	Very low	56 Å²	56	101 Å²	101	29%	0.287	59%	0.592	S	S	.	*	H	α-helix	trans	-61.7	-40.8	178.4	-63	169.7	0	0	0	110.5	P650 S653 I661	P650-I657 HydrophobicContact CB-CG1 4.4Å; P650-I657 HydrophobicContact CG-CD1 4.42Å; S653-I657 WeakPolarHBondContact O-CG1 3.33Å; S653-I657 PolarHBondContact O-N 2.98Å; I657-I661 HydrophobicContact CG2-CD1 3.98Å; I657-I661 WeakPolarHBondContact O-CB 3.28Å; I657-I661 WeakPolarHBondContact O-CD1 3.39Å; I657-I661 WeakPolarHBondContact O-CG1 3.31Å; I657-I661 PolarHBondContact O-N 2.92Å
658	A	43.8	Very low	43.9	Very low	45 Å²	45	101.5 Å²	101.5	37%	0.372	59%	0.588	S	S	.	*	H	α-helix	trans	-66.3	-35.2	173	0	0	0	0	0	113.2	A654 E656 H662	A654-A658 VanDerWaalsContact O-CB 3.26Å; A654-A658 WeakPolarHBondContact O-CB 3.46Å; A654-A658 PolarHBondContact O-N 3.08Å; E656-A658 VanDerWaalsContact C-N 3.3Å; E656-A658 PolarHBondContact O-N 2.96Å; A658-H662 WeakPolarHBondContact O-CB 3.48Å; A658-H662 PolarHBondContact O-CD2 3.43Å; A658-H662 PolarHBondContact O-N 2.77Å
659	A	49.4	Very low	43.6	Very low	48 Å²	48	100.1 Å²	100.1	40%	0.397	58%	0.577	S	S	.	*	H	α-helix	trans	-71.4	-38	177.9	0	0	0	0	0	112.8	S655 E656 H662 K663	S655-A659 VanDerWaalsContact O-CB 3.29Å; S655-A659 WeakPolarHBondContact O-CB 3.4Å; S655-A659 PolarHBondContact O-N 3.39Å; E656-A659 PolarHBondContact O-N 2.87Å; A659-H662 PolarHBondContact O-N 2.79Å; A659-K663 WeakPolarHBondContact O-CG 3.44Å; A659-K663 PolarHBondContact O-N 3.44Å
660	D	52.3	Low	43.2	Very low	87 Å²	87	98.4 Å²	98.4	47%	0.465	58%	0.576	S	S	.	*	H	α-helix	trans	-71.6	-36.8	174.9	-76	-14.4	0	0	0	111.6	E656 K663 N664	E656-D660 PolarHBondContact O-N 3.09Å; D660-K663 PolarHBondContact O-N 2.75Å; D660-N664 WeakPolarHBondContact O-CB 3.37Å; D660-N664 VanDerWaalsContact O-CG 3.25Å; D660-N664 PolarHBondContact O-N 3.24Å; D660-N664 PolarHBondContact O-ND2 2.92Å
661	I	50.7	Low	42.5	Very low	88 Å²	88	99.3 Å²	99.3	45%	0.451	58%	0.582	S	S	.	*	H	α-helix	trans	-60	-46.4	169	-70.3	166.1	0	0	0	110.3	I657 K663 N664 N665	I657-I661 HydrophobicContact CG2-CD1 3.98Å; I657-I661 WeakPolarHBondContact O-CB 3.28Å; I657-I661 WeakPolarHBondContact O-CD1 3.39Å; I657-I661 WeakPolarHBondContact O-CG1 3.31Å; I657-I661 PolarHBondContact O-N 2.92Å; I661-K663 VanDerWaalsContact C-N 3.35Å; I661-K663 PolarHBondContact O-N 3.28Å; I661-N664 PolarHBondContact O-N 2.9Å; I661-N665 VanDerWaalsContact O-CB 3.31Å; I661-N665 WeakPolarHBondContact O-CB 3.27Å; I661-N665 PolarHBondContact O-N 2.85Å; I661-N665 PolarHBondContact O-OD1 3.28Å
662	H	47.1	Very low	42	Very low	137 Å²	137	103.8 Å²	103.8	63%	0.634	58%	0.581	S	S	*	*	H	α-helix	trans	-64.9	-33.6	176.9	-97.1	-70.7	0	0	0	114	A658 A659	A658-H662 WeakPolarHBondContact O-CB 3.48Å; A658-H662 PolarHBondContact O-CD2 3.43Å; A658-H662 PolarHBondContact O-N 2.77Å; A659-H662 PolarHBondContact O-N 2.79Å
663	K	46.2	Very low	40.9	Very low	147 Å²	147	106.6 Å²	106.6	64%	0.639	60%	0.6	S	S	*	*	H	α-helix	trans	-69.7	-42.1	175.1	-82.8	178.3	175.4	175.1	0	112.6	A659 D660 I661	A659-K663 WeakPolarHBondContact O-CG 3.44Å; A659-K663 PolarHBondContact O-N 3.44Å; D660-K663 PolarHBondContact O-N 2.75Å; I661-K663 VanDerWaalsContact C-N 3.35Å; I661-K663 PolarHBondContact O-N 3.28Å
664	N	41.8	Very low	40	Very low	117 Å²	117	108.5 Å²	108.5	63%	0.626	61%	0.606	S	S	*	*	H	α-helix	trans	-77.5	-35.5	-176.1	-65.5	-12.6	0	0	0	111.7	D660 I661 L666	D660-N664 WeakPolarHBondContact O-CB 3.37Å; D660-N664 VanDerWaalsContact O-CG 3.25Å; D660-N664 PolarHBondContact O-N 3.24Å; D660-N664 PolarHBondContact O-ND2 2.92Å; I661-N664 PolarHBondContact O-N 2.9Å; N664-L666 PolarHBondContact O-N 2.8Å
665	N	38.6	Very low	39.1	Very low	83 Å²	83	114.4 Å²	114.4	44%	0.444	61%	0.612	S	S	.	*	H	α-helix	trans	-70.3	-15.5	177.9	-69.1	8.9	0	0	0	113.6	I661 A667 D668 H669	I661-N665 VanDerWaalsContact O-CB 3.31Å; I661-N665 WeakPolarHBondContact O-CB 3.27Å; I661-N665 PolarHBondContact O-N 2.85Å; I661-N665 PolarHBondContact O-OD1 3.28Å; N665-A667 PolarHBondContact O-N 2.77Å; N665-A667 VanDerWaalsContact O-N 3.11Å; N665-D668 PolarHBondContact O-N 2.81Å; N665-H669 PolarHBondContact O-CD2 2.95Å; N665-H669 PolarHBondContact O-NE2 2.82Å
666	L	38.9	Very low	37.9	Very low	135 Å²	135	115.3 Å²	115.3	71%	0.707	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-3.9	-178.1	-101.3	165.9	0	0	0	114.8	N664	N664-L666 PolarHBondContact O-N 2.8Å
667	A	32.8	Very low	36.6	Very low	84 Å²	84	117.9 Å²	117.9	69%	0.694	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-32.3	174.3	0	0	0	0	0	114	N665	N665-A667 PolarHBondContact O-N 2.77Å; N665-A667 VanDerWaalsContact O-N 3.11Å
668	D	30.2	Very low	35.2	Very low	134 Å²	134	119.8 Å²	119.8	72%	0.717	64%	0.644	S	S	*	*			trans	-113.6	26.1	-163.1	-66.5	-44	0	0	0	114.1	N665 L670	N665-D668 PolarHBondContact O-N 2.81Å; D668-L670 PolarHBondContact O-N 2.82Å
669	H	29.2	Very low	34.4	Very low	140 Å²	140	121 Å²	121	65%	0.648	66%	0.661	S	S	*	*			trans	-78.2	66.5	178.3	-82.8	-57	0	0	0	113.3	N665	N665-H669 PolarHBondContact O-CD2 2.95Å; N665-H669 PolarHBondContact O-NE2 2.82Å
670	L	27.6	Very low	33.4	Very low	155 Å²	155	125.4 Å²	125.4	81%	0.812	68%	0.684	S	S	*	*			trans	-60.9	131.5	163.4	-81.5	159	0	0	0	110.8	D668 Y672	D668-L670 PolarHBondContact O-N 2.82Å; L670-Y672 PolarHBondContact O-N 2.7Å
671	P	27.7	Very low	32.3	Very low	118 Å²	118	125.6 Å²	125.6	77%	0.766	69%	0.685	S	S	*	*	S	Bend	trans	-81	98	-179.3	31.9	-33.9	0	0	0	111.7
672	Y	27.9	Very low	31.2	Very low	220 Å²	220	126.7 Å²	126.7	86%	0.863	69%	0.691	S	S	*	*	S	Bend	trans	63.4	132.7	178.9	-83.8	-96.8	0	0	0	115.7	L670 D674	L670-Y672 PolarHBondContact O-N 2.7Å; Y672-D674 PolarHBondContact O-N 2.94Å; Y672-D674 VanDerWaalsContact O-N 3.15Å
673	A	26.8	Very low	30.5	Very low	98 Å²	98	126.1 Å²	126.1	81%	0.81	69%	0.693	S	S	*	*			trans	-74.8	105.1	178.8	0	0	0	0	0	111.2
674	D	26.6	Very low	29.6	Very low	96 Å²	96	125.3 Å²	125.3	51%	0.513	70%	0.695	S	S	.	*			trans	-57.4	147.3	155.7	-95.7	-58.8	0	0	0	110.2	Y672 T676 Y877	Y672-D674 PolarHBondContact O-N 2.94Å; Y672-D674 VanDerWaalsContact O-N 3.15Å; D674-T676 PolarHBondContact O-N 2.91Å; D674-T676 PolarHBondContact O-OG1 2.73Å; D674-Y877 PolarHBondContact OD1-OH 2.93Å; D674-Y877 PolarHBondContact OD2-OH 3.48Å
675	Y	24.4	Very low	29.1	Very low	210 Å²	210	126.6 Å²	126.6	82%	0.824	70%	0.701	S	S	*	*			trans	-76.8	74.2	175.1	-80	-94.5	0	0	0	110.8	L677	Y675-L677 VanDerWaalsContact C-N 3.32Å; Y675-L677 PolarHBondContact O-N 2.89Å
676	T	26.4	Very low	28.6	Very low	112 Å²	112	131.2 Å²	131.2	69%	0.687	72%	0.72	S	S	*	*			trans	-69.8	83.1	171.8	31.5	0	0	0	0	111.3	D674 T678	D674-T676 PolarHBondContact O-N 2.91Å; D674-T676 PolarHBondContact O-OG1 2.73Å; T676-T678 PolarHBondContact O-N 2.73Å
677	L	24.7	Very low	28.1	Very low	165 Å²	165	128.1 Å²	128.1	86%	0.864	72%	0.72	S	S	*	*			trans	-71.3	73.9	163.9	-86.3	166.4	0	0	0	110.2	Y675	Y675-L677 VanDerWaalsContact C-N 3.32Å; Y675-L677 PolarHBondContact O-N 2.89Å
678	T	26.7	Very low	27.9	Very low	96 Å²	96	131.3 Å²	131.3	59%	0.589	72%	0.724	S	S	*	*			trans	-126.2	116.6	177.6	50	0	0	0	0	110.6	T676	T676-T678 PolarHBondContact O-N 2.73Å
679	G	26.4	Very low	27.7	Very low	72 Å²	72	133.2 Å²	133.2	74%	0.742	73%	0.726	S	S	*	*			trans	131.4	88	162.4	0	0	0	0	0	116.9
680	T	28	Very low	27.7	Very low	140 Å²	140	135.2 Å²	135.2	86%	0.859	74%	0.735	S	S	*	*			trans	-135.4	80.3	146.3	53.1	0	0	0	0	109.3
681	N	30.1	Very low	27.7	Very low	91 Å²	91	131.2 Å²	131.2	49%	0.487	73%	0.731	S	S	.	*			trans	-73.4	139.4	169.6	-105.7	-14.6	0	0	0	110.1
682	N	26.7	Very low	27.8	Very low	110 Å²	110	134 Å²	134	59%	0.588	74%	0.739	S	S	*	*			trans	-73.1	158.2	175.3	-69.3	-77	0	0	0	111.5	K954	N682-K954 HydrophobicContact CB-CD 3.99Å
683	N	32.4	Very low	27.9	Very low	126 Å²	126	132.9 Å²	132.9	67%	0.674	74%	0.739	S	S	*	*				-175.5	110.5	124.6	-88.3	-8.3	0	0	0	112.1	K954	N683-K954 PolarHBondContact OD1-NZ 3.07Å
684	D	28.3	Very low	28	Very low	129 Å²	129	137.1 Å²	137.1	69%	0.69	74%	0.742	S	S	*	*				61.6	161.6	123.9	-60.7	6.7	0	0	0	124.2
685	I	30	Very low	28.1	Very low	145 Å²	145	138.9 Å²	138.9	74%	0.744	75%	0.745	S	S	*	*			trans	83	101.1	160.9	-66.4	150.8	0	0	0	118.5
686	Q	29.9	Very low	28.2	Very low	180 Å²	180	135.9 Å²	135.9	84%	0.841	75%	0.748	S	S	*	*			trans	53.9	110.1	134.3	-56.4	175.8	9.5	0	0	120.4
687	G	27.4	Very low	28.2	Very low	69 Å²	69	135.4 Å²	135.4	71%	0.711	74%	0.738	S	S	*	*				74.2	108.8	93.5	0	0	0	0	0	120
688	I	28.5	Very low	28.4	Very low	151 Å²	151	132.9 Å²	132.9	77%	0.774	73%	0.734	S	S	*	*			trans	75.8	85.9	143.1	-48.2	178.5	0	0	0	117.8
689	K	27.2	Very low	28.4	Very low	174 Å²	174	131.9 Å²	131.9	76%	0.757	73%	0.731	S	S	*	*			trans	73.5	153.3	136.5	-58.5	176.8	178.2	177.1	0	121.4
690	H	28.2	Very low	28.5	Very low	182 Å²	182	139 Å²	139	84%	0.843	74%	0.735	S	S	*	*			trans	69	106.6	159.2	-63.5	-67.2	0	0	0	119.8
691	G	27.9	Very low	28.5	Very low	71 Å²	71	141.6 Å²	141.6	73%	0.732	74%	0.735	S	S	*	*			trans	157.7	116.3	144.6	0	0	0	0	0	117.7
692	L	29.6	Very low	28.3	Very low	178 Å²	178	142.2 Å²	142.2	93%	0.932	75%	0.746	S	S	*	*			trans	50	96.9	143.6	-68.8	156.5	0	0	0	120.5
693	K	29.4	Very low	28.3	Very low	196 Å²	196	148.5 Å²	148.5	85%	0.852	76%	0.762	S	S	*	*			trans	-27.3	136.5	157.5	-53.8	162.2	179.3	173.6	0	117.3
694	E	29.5	Very low	27.9	Very low	187 Å²	187	146.8 Å²	146.8	87%	0.874	76%	0.759	S	S	*	*				-177.1	95.3	115.7	-100.7	176.7	-178	0	0	110.3
695	K	28.1	Very low	27.7	Very low	132 Å²	132	148.9 Å²	148.9	57%	0.574	77%	0.77	S	S	*	*				59.1	92.7	97.2	-77.6	-165	179.4	-168.9	0	116.9	D227 L228	D227-K695 IonicContact OD2-NZ 3.85Å; D227-K695 PolarHBondContact OD2-NZ 2.77Å; L228-K695 HydrophobicContact CD2-CD 4.3Å; L228-K695 VanDerWaalsContact CD2-CE 3.46Å; L228-K695 VanDerWaalsContact CD2-NZ 3.34Å
696	V	27.2	Very low	27.4	Very low	147 Å²	147	146.6 Å²	146.6	89%	0.891	77%	0.766	S	S	*	*			trans	-129.4	144.2	135.1	177.6	0	0	0	0	107.2
697	Q	27	Very low	27.2	Very low	103 Å²	103	145.8 Å²	145.8	48%	0.481	76%	0.763	S	S	.	*			trans	-83.8	131.3	-171	-60.3	-175.4	-88.7	0	0	113.1	D227	D227-Q697 VanDerWaalsContact OD1-CG 3.31Å; D227-Q697 WeakPolarHBondContact OD1-CG 3.38Å
698	S	28.2	Very low	27.1	Very low	111 Å²	111	153.2 Å²	153.2	78%	0.776	77%	0.771	S	S	*	*			trans	-138.2	127.5	152.8	-179.3	0	0	0	0	110.8
699	S	27.5	Very low	27	Very low	75 Å²	75	151.9 Å²	151.9	52%	0.524	76%	0.764	S	S	.	*			trans	-161	145.7	173.7	75.7	0	0	0	0	108.9
700	R	27.8	Very low	27	Very low	221 Å²	221	149 Å²	149	83%	0.834	77%	0.766	S	S	*	*			cis	-135.4	139.8	25.1	-68.6	173.9	171.3	-178.1	-3.5	113.8
701	K	28	Very low	26.9	Very low	196 Å²	196	147 Å²	147	85%	0.852	76%	0.761	S	S	*	*			trans	56.3	117.8	133.2	-65.9	-175.6	172.1	-171	0	120.4
702	S	26.1	Very low	27	Very low	103 Å²	103	149 Å²	149	72%	0.72	76%	0.764	S	S	*	*			trans	-78.8	148.8	149.9	45.5	0	0	0	0	113.1
703	R	26.3	Very low	26.9	Very low	243 Å²	243	147.8 Å²	147.8	92%	0.917	76%	0.758	S	S	*	*			trans	-151.6	115.9	143	-89.5	-176.2	170.5	178.6	-6.5	103.4
704	S	23.1	Very low	26.9	Very low	90 Å²	90	146.7 Å²	146.7	63%	0.629	76%	0.757	S	S	*	*			cis	72.3	122.1	36.6	-44.5	0	0	0	0	113
705	L	24.9	Very low	26.8	Very low	173 Å²	173	142.8 Å²	142.8	91%	0.906	75%	0.746	S	S	*	*			trans	70.7	143	174.4	-56.5	167.3	0	0	0	114.4
706	S	24.7	Very low	26.8	Very low	96 Å²	96	145.1 Å²	145.1	67%	0.671	76%	0.759	S	S	*	*			cis	-158.5	-176.8	-10.4	52	0	0	0	0	109.3
707	E	25.3	Very low	26.7	Very low	164 Å²	164	143.8 Å²	143.8	77%	0.766	76%	0.756	S	S	*	*			trans	-53.4	145	155.7	-60	127.3	122.3	0	0	110.5
708	Y	25.1	Very low	26.7	Very low	224 Å²	224	143.6 Å²	143.6	88%	0.878	77%	0.771	S	S	*	*				-146.4	122.4	116.2	-113.5	-75.8	0	0	0	109.4
709	I	26	Very low	26.7	Very low	123 Å²	123	141.3 Å²	141.3	63%	0.631	77%	0.766	S	S	*	*			trans	-75.6	137.1	165.7	-64.2	161.2	0	0	0	107.1	D711	I709-D711 VanDerWaalsContact CG2-OD1 3.3Å; I709-D711 WeakPolarHBondContact CG2-OD1 3.26Å; I709-D711 VanDerWaalsContact CG2-OD2 3.29Å; I709-D711 WeakPolarHBondContact CG2-OD2 3.27Å
710	S	27.2	Very low	26.7	Very low	114 Å²	114	142.8 Å²	142.8	80%	0.797	78%	0.776	S	S	*	*			trans	-146.1	92.2	162.1	60.2	0	0	0	0	107.9
711	D	25.8	Very low	26.8	Very low	140 Å²	140	139 Å²	139	75%	0.749	77%	0.772	S	S	*	*			trans	-69.5	140.3	-177.6	-42.8	-77.7	0	0	0	111.5	I709	I709-D711 VanDerWaalsContact CG2-OD1 3.3Å; I709-D711 WeakPolarHBondContact CG2-OD1 3.26Å; I709-D711 VanDerWaalsContact CG2-OD2 3.29Å; I709-D711 WeakPolarHBondContact CG2-OD2 3.27Å
712	S	29.8	Very low	26.8	Very low	113 Å²	113	134.2 Å²	134.2	79%	0.79	76%	0.759	S	S	*	*			trans	-158	111.8	145.3	59.4	0	0	0	0	108
713	D	27.6	Very low	26.9	Very low	152 Å²	152	138.7 Å²	138.7	81%	0.813	76%	0.762	S	S	*	*			trans	-56.9	147	166.1	-55.6	-82.9	0	0	0	110.2
714	E	29.1	Very low	26.9	Very low	174 Å²	174	131.7 Å²	131.7	81%	0.813	75%	0.746	S	S	*	*				-169.6	149.7	108.4	-103.8	177.4	-153.9	0	0	112.8
715	T	28.5	Very low	27.3	Very low	105 Å²	105	134.1 Å²	134.1	64%	0.644	75%	0.752	S	S	*	*			trans	45	116.6	152.6	54.6	0	0	0	0	122.4
716	E	27.3	Very low	27.4	Very low	181 Å²	181	131.8 Å²	131.8	85%	0.846	74%	0.741	S	S	*	*				68	122.7	127.9	-60.5	-177.7	177.1	0	0	122.3
717	S	26.6	Very low	27.5	Very low	119 Å²	119	134.7 Å²	134.7	83%	0.832	74%	0.743	S	S	*	*			trans	82	140.4	141	-154.8	0	0	0	0	121
718	A	26	Very low	27.6	Very low	98 Å²	98	132.4 Å²	132.4	81%	0.81	75%	0.745	S	S	*	*			trans	61.6	171.2	160.7	0	0	0	0	0	118.8
719	G	28.8	Very low	27.6	Very low	64 Å²	64	130.8 Å²	130.8	66%	0.66	74%	0.738	S	S	*	*			trans	76.5	90.6	-179	0	0	0	0	0	113
720	S	26.6	Very low	27.7	Very low	106 Å²	106	132 Å²	132	74%	0.741	75%	0.745	S	S	*	*				47.4	111	66.7	89.8	0	0	0	0	114.1
721	D	29.9	Very low	27.8	Very low	140 Å²	140	134.5 Å²	134.5	75%	0.749	74%	0.744	S	S	*	*			trans	-146.6	119.6	142.5	-132.7	-6.7	0	0	0	109.7
722	V	29	Very low	28.2	Very low	96 Å²	96	132 Å²	132	58%	0.582	73%	0.734	S	S	*	*			trans	-90.5	113.6	-171.8	175.3	0	0	0	0	109.2	T724	V722-T724 HydrophobicContact CG1-CG2 4.24Å
723	Y	26.6	Very low	28.2	Very low	198 Å²	198	130 Å²	130	78%	0.776	73%	0.731	S	S	*	*			trans	-110.1	107.4	168.3	-83.5	-89.5	0	0	0	110.7
724	T	27.4	Very low	28.7	Very low	96 Å²	96	128.3 Å²	128.3	59%	0.589	72%	0.716	S	S	*	*			trans	-78.8	117.5	174.8	39.7	0	0	0	0	109.9	V722 D821	V722-T724 HydrophobicContact CG1-CG2 4.24Å; T724-D821 WeakPolarHBondContact CG2-OD1 3.36Å
725	D	30.5	Very low	29.3	Very low	141 Å²	141	121.9 Å²	121.9	75%	0.754	69%	0.691	S	S	*	*			trans	-122	82.1	177.8	-131.6	-25.4	0	0	0	112
726	N	28.1	Very low	30.3	Very low	124 Å²	124	122.9 Å²	122.9	66%	0.663	69%	0.688	S	S	*	*			trans	47.5	77.5	139.3	-59.9	-68.4	0	0	0	116.8	C728	N726-C728 VanDerWaalsContact C-N 3.3Å; N726-C728 PolarHBondContact O-N 2.79Å
727	E	27.4	Very low	31.2	Very low	156 Å²	156	119.6 Å²	119.6	73%	0.729	67%	0.669	S	S	*	*			trans	-57.4	100	150.8	-73	-160.9	148.5	0	0	108.9	Y729	E727-Y729 HydrophobicContact CB-CD2 4.31Å; E727-Y729 HydrophobicContact CB-CE2 4.14Å; E727-Y729 WeakPolarHBondContact O-CD2 3.37Å; E727-Y729 PolarHBondContact O-N 2.78Å
728	C	25.8	Very low	32.5	Very low	117 Å²	117	117.7 Å²	117.7	79%	0.791	64%	0.644	S	S	*	*			trans	-68.5	86.9	170.3	-73.5	0	0	0	0	108.7	N726 L730	N726-C728 VanDerWaalsContact C-N 3.3Å; N726-C728 PolarHBondContact O-N 2.79Å; C728-L730 PolarHBondContact O-N 3.43Å
729	Y	26	Very low	33.9	Very low	190 Å²	190	117.6 Å²	117.6	75%	0.745	63%	0.625	S	S	*	*			trans	-55.5	91.3	154.1	-76.4	-97.2	0	0	0	107.6	E727 E731	E727-Y729 HydrophobicContact CB-CD2 4.31Å; E727-Y729 HydrophobicContact CB-CE2 4.14Å; E727-Y729 WeakPolarHBondContact O-CD2 3.37Å; E727-Y729 PolarHBondContact O-N 2.78Å; Y729-E731 PolarHBondContact O-N 3Å
730	L	27.3	Very low	35.4	Very low	148 Å²	148	117.8 Å²	117.8	78%	0.775	61%	0.611	S	S	*	*			trans	-57.2	99.3	146	-84.8	165	0	0	0	105.5	C728 V732	C728-L730 PolarHBondContact O-N 3.43Å; L730-V732 PolarHBondContact O-N 3.29Å
731	E	29.9	Very low	36.8	Very low	166 Å²	166	115 Å²	115	78%	0.776	58%	0.584	S	S	*	*			trans	-48.3	99.8	144	-92.9	-153.7	109.5	0	0	105.1	Y729 G733	Y729-E731 PolarHBondContact O-N 3Å; E731-G733 PolarHBondContact O-N 2.79Å
732	V	33.5	Very low	38.5	Very low	87 Å²	87	114 Å²	114	53%	0.527	57%	0.573	S	S	.	*			trans	-65.6	94.6	176.7	-178.4	0	0	0	0	105.1	L730 K734	L730-V732 PolarHBondContact O-N 3.29Å; V732-K734 PolarHBondContact O-N 2.84Å
733	G	30.1	Very low	40.2	Very low	71 Å²	71	116.7 Å²	116.7	73%	0.732	57%	0.573	S	S	*	*			trans	-65	79.3	-162.2	0	0	0	0	0	111.1	E731 S735	E731-G733 PolarHBondContact O-N 2.79Å; G733-S735 PolarHBondContact O-N 2.82Å
734	K	39.1	Very low	41.9	Very low	117 Å²	117	110.7 Å²	110.7	51%	0.509	56%	0.56	S	S	.	*			trans	2.1	83	-169.6	-68.4	162.1	-171.5	108.8	0	111.1	V732 Y738 F739	V732-K734 PolarHBondContact O-N 2.84Å; K734-Y738 HydrophobicContact CB-CD1 4.05Å; K734-Y738 HydrophobicContact CG-CD1 4.32Å; K734-Y738 HydrophobicContact CG-CE1 4.34Å; K734-F739 HydrophobicContact CB-CD2 4.05Å; K734-F739 HydrophobicContact CB-CE1 4.49Å; K734-F739 HydrophobicContact CB-CE2 3.38Å; K734-F739 HydrophobicContact CB-CZ 3.64Å; K734-F739 HydrophobicContact CD-CZ 3.99Å; K734-F739 HydrophobicContact CG-CZ 4.4Å; K734-F739 WeakPolarHBondContact O-CD2 3.34Å; K734-F739 WeakPolarHBondContact O-CE2 3.33Å
735	S	42.1	Very low	43.4	Very low	39 Å²	39	110.2 Å²	110.2	27%	0.273	55%	0.554	S	S	.	*			trans	-52.3	153.5	-167.9	66.7	0	0	0	0	111.6	G733 Y737 Y738 F739	G733-S735 PolarHBondContact O-N 2.82Å; S735-Y737 PolarHBondContact O-N 3Å; S735-Y737 VanDerWaalsContact O-N 3.14Å; S735-Y738 WeakPolarHBondContact O-CA 3.13Å; S735-Y738 WeakPolarHBondContact O-CB 3.4Å; S735-Y738 PolarHBondContact O-N 3.38Å; S735-Y738 PolarHBondContact OG-N 2.84Å; S735-Y738 VanDerWaalsContact OG-N 3.09Å; S735-F739 PolarHBondContact O-N 2.84Å
736	Q	49.4	Very low	44.5	Very low	126 Å²	126	111.3 Å²	111.3	59%	0.589	55%	0.551	S	S	*	*	H	α-helix	trans	-55.6	-36.4	177.9	-173.4	58.5	36.4	0	0	110.8	F739 D740	Q736-F739 PolarHBondContact O-N 2.93Å; Q736-D740 PolarHBondContact NE2-OD2 2.78Å; Q736-D740 WeakPolarHBondContact O-CB 3.38Å; Q736-D740 PolarHBondContact O-N 2.81Å
737	Y	46.2	Very low	45.7	Very low	113 Å²	113	109.8 Å²	109.8	44%	0.443	54%	0.544	S	S	.	.	H	α-helix	trans	-58.9	-46.4	169.5	-179.3	-89.6	0	0	0	113.2	S735 F739 D740 R741	S735-Y737 PolarHBondContact O-N 3Å; S735-Y737 VanDerWaalsContact O-N 3.14Å; Y737-F739 PolarHBondContact O-N 2.84Å; Y737-D740 PolarHBondContact O-N 2.85Å; Y737-R741 HydrophobicContact CE1-CB 4.38Å; Y737-R741 VanDerWaalsContact O-CB 3.28Å; Y737-R741 WeakPolarHBondContact O-CB 3.5Å; Y737-R741 PolarHBondContact O-N 3.05Å; Y737-R741 WeakPolarHBondContact OH-CD 3.42Å; Y737-R741 PolarHBondContact OH-NH1 2.81Å
738	Y	53.7	Low	46.7	Very low	79 Å²	79	110.2 Å²	110.2	31%	0.31	54%	0.54	S	S	.	.	H	α-helix	trans	-57.7	-47.8	174.2	174.2	-89.1	0	0	0	111.7	K734 S735 D740 K742 I1097	K734-Y738 HydrophobicContact CB-CD1 4.05Å; K734-Y738 HydrophobicContact CG-CD1 4.32Å; K734-Y738 HydrophobicContact CG-CE1 4.34Å; S735-Y738 WeakPolarHBondContact O-CA 3.13Å; S735-Y738 WeakPolarHBondContact O-CB 3.4Å; S735-Y738 PolarHBondContact O-N 3.38Å; S735-Y738 PolarHBondContact OG-N 2.84Å; S735-Y738 VanDerWaalsContact OG-N 3.09Å; Y738-D740 PolarHBondContact O-N 2.85Å; Y738-K742 HydrophobicContact CE1-CD 3.69Å; Y738-K742 WeakPolarHBondContact O-CB 3.42Å; Y738-K742 PolarHBondContact O-N 3.49Å; Y738-K742 PolarHBondContact OH-NZ 3.39Å; Y738-I1097 HydrophobicContact CD2-CD1 4.15Å
739	F	55	Low	47.6	Very low	95 Å²	95	115 Å²	115	42%	0.417	54%	0.541	S	S	.	.	H	α-helix	trans	-64.9	-40.2	179.5	-81.9	-62.2	0	0	0	112.6	K734 S735 Q736 Y737 R743	K734-F739 HydrophobicContact CB-CD2 4.05Å; K734-F739 HydrophobicContact CB-CE1 4.49Å; K734-F739 HydrophobicContact CB-CE2 3.38Å; K734-F739 HydrophobicContact CB-CZ 3.64Å; K734-F739 HydrophobicContact CD-CZ 3.99Å; K734-F739 HydrophobicContact CG-CZ 4.4Å; K734-F739 WeakPolarHBondContact O-CD2 3.34Å; K734-F739 WeakPolarHBondContact O-CE2 3.33Å; S735-F739 PolarHBondContact O-N 2.84Å; Q736-F739 PolarHBondContact O-N 2.93Å; Y737-F739 PolarHBondContact O-N 2.84Å; F739-R743 WeakPolarHBondContact O-CB 3.28Å; F739-R743 WeakPolarHBondContact O-CG 3.36Å; F739-R743 PolarHBondContact O-N 2.91Å
740	D	60	Low	48.8	Very low	68 Å²	68	110.3 Å²	110.3	36%	0.364	54%	0.536	S	S	.	.	H	α-helix	trans	-80.4	-31.5	-178.8	-71.8	-29.7	0	0	0	113.1	Q736 Y737 Y738 R743 S744	Q736-D740 PolarHBondContact NE2-OD2 2.78Å; Q736-D740 WeakPolarHBondContact O-CB 3.38Å; Q736-D740 PolarHBondContact O-N 2.81Å; Y737-D740 PolarHBondContact O-N 2.85Å; Y738-D740 PolarHBondContact O-N 2.85Å; D740-R743 PolarHBondContact O-N 3.3Å; D740-R743 VanDerWaalsContact OD1-CD 3.3Å; D740-R743 WeakPolarHBondContact OD1-CD 3.37Å; D740-R743 IonicContact OD1-CZ 2.66Å; D740-R743 IonicContact OD1-NH1 3.13Å; D740-R743 PolarHBondContact OD1-NH1 3.24Å; D740-S744 VanDerWaalsContact O-CB 3.22Å; D740-S744 WeakPolarHBondContact O-CB 3.28Å; D740-S744 PolarHBondContact O-N 3.48Å
741	R	55	Low	49.8	Very low	48 Å²	48	111.5 Å²	111.5	18%	0.181	54%	0.535	C	S	.	.	H	α-helix	trans	-66.8	-38.2	167	-169	165.2	176.8	-175.6	-9.1	110.7	Y737 S744 L745 I1094	Y737-R741 HydrophobicContact CE1-CB 4.38Å; Y737-R741 VanDerWaalsContact O-CB 3.28Å; Y737-R741 WeakPolarHBondContact O-CB 3.5Å; Y737-R741 PolarHBondContact O-N 3.05Å; Y737-R741 WeakPolarHBondContact OH-CD 3.42Å; Y737-R741 PolarHBondContact OH-NH1 2.81Å; R741-S744 PolarHBondContact O-N 2.69Å; R741-L745 HydrophobicContact CG-CD1 4.23Å; R741-L745 WeakPolarHBondContact O-CB 3.4Å; R741-L745 WeakPolarHBondContact O-CG 3.29Å; R741-L745 PolarHBondContact O-N 3.22Å; R741-I1094 PolarHBondContact NH2-O 3.45Å
742	K	65.9	Low	50.5	Low	119 Å²	119	110.2 Å²	110.2	52%	0.517	52%	0.523	S	S	.	.	H	α-helix	trans	-66.3	-37.7	173.2	-168.5	168.8	-166.8	167.5	0	112.8	Y738 K746	Y738-K742 HydrophobicContact CE1-CD 3.69Å; Y738-K742 WeakPolarHBondContact O-CB 3.42Å; Y738-K742 PolarHBondContact O-N 3.49Å; Y738-K742 PolarHBondContact OH-NZ 3.39Å; K742-K746 VanDerWaalsContact O-CB 3.3Å; K742-K746 WeakPolarHBondContact O-CB 3.29Å; K742-K746 PolarHBondContact O-N 3.31Å
743	R	64.6	Low	51.4	Low	152 Å²	152	109.3 Å²	109.3	57%	0.574	52%	0.52	S	S	*	.	H	α-helix	trans	-65.9	-44.8	168.8	-79.1	166.9	165.8	172.8	-3.6	111.6	F739 D740 K746 N747	F739-R743 WeakPolarHBondContact O-CB 3.28Å; F739-R743 WeakPolarHBondContact O-CG 3.36Å; F739-R743 PolarHBondContact O-N 2.91Å; D740-R743 PolarHBondContact O-N 3.3Å; D740-R743 VanDerWaalsContact OD1-CD 3.3Å; D740-R743 WeakPolarHBondContact OD1-CD 3.37Å; D740-R743 IonicContact OD1-CZ 2.66Å; D740-R743 IonicContact OD1-NH1 3.13Å; D740-R743 PolarHBondContact OD1-NH1 3.24Å; R743-K746 PolarHBondContact O-N 2.86Å; R743-N747 WeakPolarHBondContact O-CB 3.46Å; R743-N747 PolarHBondContact O-N 2.89Å; R743-N747 PolarHBondContact O-ND2 3.24Å
744	S	63.4	Low	52.8	Low	72 Å²	72	110 Å²	110	50%	0.503	51%	0.51	S	S	.	.	H	α-helix	trans	-60.2	-52.8	-179.8	-171.1	0	0	0	0	111.1	D740 R741 K746 N747 Y748	D740-S744 VanDerWaalsContact O-CB 3.22Å; D740-S744 WeakPolarHBondContact O-CB 3.28Å; D740-S744 PolarHBondContact O-N 3.48Å; R741-S744 PolarHBondContact O-N 2.69Å; S744-K746 VanDerWaalsContact C-N 3.31Å; S744-K746 PolarHBondContact O-N 2.97Å; S744-N747 CarbonylContact O-C 3.49Å; S744-N747 PolarHBondContact O-N 3Å; S744-N747 VanDerWaalsContact O-N 3.08Å; S744-Y748 WeakPolarHBondContact O-CB 3.27Å; S744-Y748 PolarHBondContact O-N 2.88Å
745	L	58.3	Low	54.3	Low	87 Å²	87	110.2 Å²	110.2	46%	0.455	51%	0.511	S	S	.	.	H	α-helix	trans	-58.1	-40.4	175.7	-73.8	167.2	0	0	0	112.5	R741 Y748 R749	R741-L745 HydrophobicContact CG-CD1 4.23Å; R741-L745 WeakPolarHBondContact O-CB 3.4Å; R741-L745 WeakPolarHBondContact O-CG 3.29Å; R741-L745 PolarHBondContact O-N 3.22Å; L745-Y748 PolarHBondContact O-N 3.11Å; L745-R749 WeakPolarHBondContact O-CB 3.29Å; L745-R749 PolarHBondContact O-N 3.49Å
746	K	54.3	Low	55.6	Low	163 Å²	163	112.8 Å²	112.8	71%	0.709	52%	0.521	S	S	*	.	H	α-helix	trans	-66.2	-38.9	175.7	-166.6	172.4	-175.1	177.5	0	112.1	K742 R743 S744 S750	K742-K746 VanDerWaalsContact O-CB 3.3Å; K742-K746 WeakPolarHBondContact O-CB 3.29Å; K742-K746 PolarHBondContact O-N 3.31Å; R743-K746 PolarHBondContact O-N 2.86Å; S744-K746 VanDerWaalsContact C-N 3.31Å; S744-K746 PolarHBondContact O-N 2.97Å; K746-S750 WeakPolarHBondContact O-CB 3.25Å; K746-S750 PolarHBondContact O-N 3.2Å; K746-S750 PolarHBondContact O-OG 2.82Å
747	N	52.8	Low	56.2	Low	93 Å²	93	110.3 Å²	110.3	50%	0.497	51%	0.51	S	S	.	.	H	α-helix	trans	-73.1	-30.6	175.8	-70.6	-19.6	0	0	0	112.9	R743 S744 S750 K751	R743-N747 WeakPolarHBondContact O-CB 3.46Å; R743-N747 PolarHBondContact O-N 2.89Å; R743-N747 PolarHBondContact O-ND2 3.24Å; S744-N747 CarbonylContact O-C 3.49Å; S744-N747 PolarHBondContact O-N 3Å; S744-N747 VanDerWaalsContact O-N 3.08Å; N747-S750 WeakPolarHBondContact CA-OG 3.34Å; N747-S750 PolarHBondContact O-OG 2.89Å; N747-K751 WeakPolarHBondContact O-CB 3.46Å; N747-K751 VanDerWaalsContact O-CG 3.29Å; N747-K751 WeakPolarHBondContact O-CG 3.24Å; N747-K751 PolarHBondContact O-N 3.45Å; N747-K751 VanDerWaalsContact O-N 3.13Å
748	Y	48	Very low	57.2	Low	165 Å²	165	112 Å²	112	65%	0.647	52%	0.515	S	S	*	.	H	α-helix	trans	-76.2	-45.2	178.1	-151	-109.5	0	0	0	110.5	S744 L745 S750 K751 R752	S744-Y748 WeakPolarHBondContact O-CB 3.27Å; S744-Y748 PolarHBondContact O-N 2.88Å; L745-Y748 PolarHBondContact O-N 3.11Å; Y748-S750 VanDerWaalsContact C-N 3.26Å; Y748-S750 PolarHBondContact O-N 2.85Å; Y748-K751 PolarHBondContact O-N 3.06Å; Y748-R752 PolarHBondContact O-N 3.07Å; Y748-R752 VanDerWaalsContact O-N 3.14Å
749	R	44.2	Very low	57.9	Low	218 Å²	218	111.4 Å²	111.4	82%	0.823	52%	0.515	S	S	*	.	H	α-helix	trans	-60.8	-31.2	169.6	-76.8	-174.4	169.2	-179.8	-2.4	112.7	L745	L745-R749 WeakPolarHBondContact O-CB 3.29Å; L745-R749 PolarHBondContact O-N 3.49Å
750	S	51.7	Low	58.5	Low	90 Å²	90	108.4 Å²	108.4	63%	0.629	51%	0.509	S	S	*	.	H	α-helix	trans	-78.9	-16.2	172.7	71.4	0	0	0	0	114.7	K746 N747 Y748	K746-S750 WeakPolarHBondContact O-CB 3.25Å; K746-S750 PolarHBondContact O-N 3.2Å; K746-S750 PolarHBondContact O-OG 2.82Å; N747-S750 WeakPolarHBondContact CA-OG 3.34Å; N747-S750 PolarHBondContact O-OG 2.89Å; Y748-S750 VanDerWaalsContact C-N 3.26Å; Y748-S750 PolarHBondContact O-N 2.85Å
751	K	48.7	Very low	58.9	Low	173 Å²	173	112 Å²	112	75%	0.752	52%	0.517	S	S	*	.	H	α-helix	trans	-93.1	-22	179.1	-81.3	179.9	178.7	-176.6	0	113.9	N747 Y748 S753	N747-K751 WeakPolarHBondContact O-CB 3.46Å; N747-K751 VanDerWaalsContact O-CG 3.29Å; N747-K751 WeakPolarHBondContact O-CG 3.24Å; N747-K751 PolarHBondContact O-N 3.45Å; N747-K751 VanDerWaalsContact O-N 3.13Å; Y748-K751 PolarHBondContact O-N 3.06Å; K751-S753 PolarHBondContact O-N 3.34Å
752	R	44.7	Very low	59.5	Low	140 Å²	140	117 Å²	117	53%	0.528	54%	0.536	S	S	.	.	S	Bend	trans	-66.1	104.7	164.3	-93.3	-167.8	176.6	-177	2.3	109	Y748 T754	Y748-R752 PolarHBondContact O-N 3.07Å; Y748-R752 VanDerWaalsContact O-N 3.14Å; R752-T754 PolarHBondContact O-N 2.96Å
753	S	53.1	Low	59.9	Low	67 Å²	67	118.1 Å²	118.1	47%	0.469	55%	0.547	S	S	.	.			trans	-52.3	139.6	166.7	174	0	0	0	0	110	K751 K755 L756 E757	K751-S753 PolarHBondContact O-N 3.34Å; S753-K755 PolarHBondContact O-N 2.9Å; S753-K755 PolarHBondContact OG-N 3.13Å; S753-L756 WeakPolarHBondContact O-CA 3.28Å; S753-L756 WeakPolarHBondContact O-CB 3.47Å; S753-L756 PolarHBondContact O-N 3.49Å; S753-E757 PolarHBondContact O-N 3.33Å; S753-E757 VanDerWaalsContact O-N 3.13Å
754	T	59.1	Low	59.7	Low	86 Å²	86	117.9 Å²	117.9	53%	0.528	56%	0.555	S	S	.	*	H	α-helix	trans	-59.5	-17.2	175	54.5	0	0	0	0	113	R752 R758	R752-T754 PolarHBondContact O-N 2.96Å; T754-R758 WeakPolarHBondContact O-CD 3.39Å; T754-R758 WeakPolarHBondContact O-CG 3.49Å; T754-R758 PolarHBondContact O-N 3.41Å
755	K	69.9	Low	59	Low	122 Å²	122	116.8 Å²	116.8	53%	0.53	56%	0.555	S	S	.	*	H	α-helix	trans	-66.3	-47.6	166.7	-170.1	-165.1	174.3	-110.2	0	111.7	S753 R758 E759	S753-K755 PolarHBondContact O-N 2.9Å; S753-K755 PolarHBondContact OG-N 3.13Å; K755-R758 WeakPolarHBondContact O-CB 3.44Å; K755-R758 PolarHBondContact O-N 3.41Å; K755-E759 WeakPolarHBondContact CE-OE1 3.48Å; K755-E759 IonicContact NZ-OE1 3.29Å; K755-E759 PolarHBondContact NZ-OE1 2.73Å; K755-E759 IonicContact NZ-OE2 2.83Å; K755-E759 PolarHBondContact NZ-OE2 2.82Å; K755-E759 PolarHBondContact O-N 3.18Å
756	L	70.2	Confident	58.7	Low	92 Å²	92	118.7 Å²	118.7	48%	0.482	57%	0.565	S	S	.	*	H	α-helix	trans	-71	-33.8	-174.9	-142.1	162.5	0	0	0	111	S753 E759 A760	S753-L756 WeakPolarHBondContact O-CA 3.28Å; S753-L756 WeakPolarHBondContact O-CB 3.47Å; S753-L756 PolarHBondContact O-N 3.49Å; L756-E759 PolarHBondContact O-N 3.1Å; L756-A760 PolarHBondContact O-N 2.83Å
757	E	62.1	Low	58.5	Low	75 Å²	75	119.1 Å²	119.1	35%	0.35	56%	0.563	S	S	.	*	H	α-helix	trans	-66	-40.5	169.4	-162.4	-165.7	151.6	0	0	112.4	S753 E759 A760 R761	S753-E757 PolarHBondContact O-N 3.33Å; S753-E757 VanDerWaalsContact O-N 3.13Å; E757-E759 VanDerWaalsContact C-N 3.35Å; E757-A760 PolarHBondContact O-N 2.96Å; E757-R761 WeakPolarHBondContact O-CG 3.39Å; E757-R761 PolarHBondContact O-N 2.95Å; E757-R761 IonicContact OE1-CZ 3.57Å; E757-R761 VanDerWaalsContact OE1-CZ 3.3Å; E757-R761 IonicContact OE1-NE 2.84Å; E757-R761 PolarHBondContact OE1-NE 2.83Å; E757-R761 VanDerWaalsContact OE1-NE 3.13Å; E757-R761 IonicContact OE1-NH2 2.91Å; E757-R761 PolarHBondContact OE1-NH2 2.89Å
758	R	66.2	Low	58	Low	147 Å²	147	124.7 Å²	124.7	56%	0.555	58%	0.583	S	S	*	*	H	α-helix	trans	-66.3	-35.3	172.9	-72.1	168.6	-175.1	145	-2.9	112.4	T754 K755 R761 R762	T754-R758 WeakPolarHBondContact O-CD 3.39Å; T754-R758 WeakPolarHBondContact O-CG 3.49Å; T754-R758 PolarHBondContact O-N 3.41Å; K755-R758 WeakPolarHBondContact O-CB 3.44Å; K755-R758 PolarHBondContact O-N 3.41Å; R758-R761 PolarHBondContact O-N 3.38Å; R758-R762 WeakPolarHBondContact O-CB 3.29Å; R758-R762 VanDerWaalsContact O-CG 3.26Å; R758-R762 WeakPolarHBondContact O-CG 3.22Å; R758-R762 PolarHBondContact O-N 2.88Å
759	E	69.3	Low	57.7	Low	67 Å²	67	123 Å²	123	31%	0.313	59%	0.59	S	S	.	*	H	α-helix	trans	-65.6	-43.2	172.7	-86.4	164	162.5	0	0	111.2	K755 L756 E757 R762 N763	K755-E759 WeakPolarHBondContact CE-OE1 3.48Å; K755-E759 IonicContact NZ-OE1 3.29Å; K755-E759 PolarHBondContact NZ-OE1 2.73Å; K755-E759 IonicContact NZ-OE2 2.83Å; K755-E759 PolarHBondContact NZ-OE2 2.82Å; K755-E759 PolarHBondContact O-N 3.18Å; L756-E759 PolarHBondContact O-N 3.1Å; E757-E759 VanDerWaalsContact C-N 3.35Å; E759-R762 PolarHBondContact O-N 3Å; E759-N763 VanDerWaalsContact O-CG 3.27Å; E759-N763 PolarHBondContact O-N 2.96Å; E759-N763 PolarHBondContact O-OD1 2.8Å
760	A	66.8	Low	57.3	Low	33 Å²	33	116 Å²	116	27%	0.273	59%	0.586	S	S	.	*	H	α-helix	trans	-59.4	-47.7	171.6	0	0	0	0	0	112.5	L756 E757 R762 N763 M764	L756-A760 PolarHBondContact O-N 2.83Å; E757-A760 PolarHBondContact O-N 2.96Å; A760-R762 VanDerWaalsContact C-N 3.3Å; A760-R762 PolarHBondContact O-N 2.81Å; A760-N763 PolarHBondContact O-N 3.39Å; A760-N763 VanDerWaalsContact O-N 3.15Å; A760-M764 WeakPolarHBondContact O-CG 3.44Å; A760-M764 PolarHBondContact O-N 2.85Å
761	R	68.9	Low	56.4	Low	142 Å²	142	116.9 Å²	116.9	54%	0.536	59%	0.592	S	S	.	*	H	α-helix	trans	-62.2	-33.4	177.3	-68.7	177.3	-172.3	-137.1	7.3	113.1	E757 R758 L766	E757-R761 WeakPolarHBondContact O-CG 3.39Å; E757-R761 PolarHBondContact O-N 2.95Å; E757-R761 IonicContact OE1-CZ 3.57Å; E757-R761 VanDerWaalsContact OE1-CZ 3.3Å; E757-R761 IonicContact OE1-NE 2.84Å; E757-R761 PolarHBondContact OE1-NE 2.83Å; E757-R761 VanDerWaalsContact OE1-NE 3.13Å; E757-R761 IonicContact OE1-NH2 2.91Å; E757-R761 PolarHBondContact OE1-NH2 2.89Å; R758-R761 PolarHBondContact O-N 3.38Å; R761-L766 PolarHBondContact O-N 3.07Å
762	R	67.9	Low	55.8	Low	153 Å²	153	116.4 Å²	116.4	58%	0.577	59%	0.592	S	S	*	*	H	α-helix	trans	-68.1	-40.5	172.8	-76.9	168.7	176.4	-179.8	-2.8	112.4	R758 E759 A760 M764 G765	R758-R762 WeakPolarHBondContact O-CB 3.29Å; R758-R762 VanDerWaalsContact O-CG 3.26Å; R758-R762 WeakPolarHBondContact O-CG 3.22Å; R758-R762 PolarHBondContact O-N 2.88Å; E759-R762 PolarHBondContact O-N 3Å; A760-R762 VanDerWaalsContact C-N 3.3Å; A760-R762 PolarHBondContact O-N 2.81Å; R762-M764 VanDerWaalsContact C-N 3.33Å; R762-G765 PolarHBondContact O-N 2.88Å
763	N	73.6	Confident	55.1	Low	143 Å²	143	117.1 Å²	117.1	77%	0.765	61%	0.606	S	S	*	*	H	α-helix	trans	-68.5	-33.6	178.1	-67.3	3.7	0	0	0	111.7	E759 A760 G765	E759-N763 VanDerWaalsContact O-CG 3.27Å; E759-N763 PolarHBondContact O-N 2.96Å; E759-N763 PolarHBondContact O-OD1 2.8Å; A760-N763 PolarHBondContact O-N 3.39Å; A760-N763 VanDerWaalsContact O-N 3.15Å; N763-G765 PolarHBondContact O-N 3.26Å; N763-G765 VanDerWaalsContact O-N 3.15Å
764	M	61.1	Low	54.1	Low	147 Å²	147	118.6 Å²	118.6	72%	0.724	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	12.4	172.7	-63.7	-63.4	-69.3	0	0	114.2	A760 R762 L766	A760-M764 WeakPolarHBondContact O-CG 3.44Å; A760-M764 PolarHBondContact O-N 2.85Å; R762-M764 VanDerWaalsContact C-N 3.33Å; M764-L766 HydrophobicContact CB-CD1 4.41Å; M764-L766 HydrophobicContact CB-CG 4.31Å; M764-L766 PolarHBondContact O-N 3.17Å; M764-L766 VanDerWaalsContact O-N 3.1Å
765	G	48.2	Very low	52.7	Low	49 Å²	49	121.7 Å²	121.7	51%	0.505	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	70	4.2	176.5	0	0	0	0	0	116.2	R762 N763 Y767	R762-G765 PolarHBondContact O-N 2.88Å; N763-G765 PolarHBondContact O-N 3.26Å; N763-G765 VanDerWaalsContact O-N 3.15Å; G765-Y767 PolarHBondContact O-N 2.82Å
766	L	51.8	Low	50.8	Low	128 Å²	128	120.4 Å²	120.4	67%	0.67	64%	0.642	S	S	*	*			trans	-77.2	62.7	-174.3	-61.2	175.7	0	0	0	112.8	R761 M764 K768	R761-L766 PolarHBondContact O-N 3.07Å; M764-L766 HydrophobicContact CB-CD1 4.41Å; M764-L766 HydrophobicContact CB-CG 4.31Å; M764-L766 PolarHBondContact O-N 3.17Å; M764-L766 VanDerWaalsContact O-N 3.1Å; L766-K768 PolarHBondContact O-N 3.18Å
767	Y	49.3	Very low	48.8	Very low	171 Å²	171	121.2 Å²	121.2	67%	0.671	66%	0.655	S	S	*	*			trans	-77.3	101.8	174.9	-76.7	-90.2	0	0	0	111.5	G765	G765-Y767 PolarHBondContact O-N 2.82Å
768	K	44	Very low	47.2	Very low	210 Å²	210	121.6 Å²	121.6	91%	0.913	67%	0.666	S	S	*	*			trans	-85.9	112.8	150.1	-79.6	-165.1	171.4	-171.4	0	108.9	L766	L766-K768 PolarHBondContact O-N 3.18Å
769	T	41.7	Very low	45.5	Very low	130 Å²	130	123.6 Å²	123.6	80%	0.798	69%	0.686	S	S	*	*			trans	-84.4	128.5	-177.6	24.8	0	0	0	0	111.9
770	G	34.7	Very low	43.8	Very low	71 Å²	71	125.5 Å²	125.5	73%	0.732	71%	0.706	S	S	*	*			trans	71.9	155.1	179.4	0	0	0	0	0	114.4
771	S	34	Very low	42	Very low	108 Å²	108	127.7 Å²	127.7	76%	0.755	72%	0.72	S	S	*	*			cis	-161.6	150.2	-21.7	-168.9	0	0	0	0	107.3
772	Q	35.9	Very low	40.3	Very low	164 Å²	164	129.1 Å²	129.1	77%	0.766	74%	0.737	S	S	*	*			trans	51.9	103.8	171.6	-69.9	179.4	-48.2	0	0	118.8
773	D	30	Very low	38.8	Very low	154 Å²	154	129.3 Å²	129.3	82%	0.824	74%	0.742	S	S	*	*				45.8	79.1	122.2	-53.3	-33.5	0	0	0	119.5
774	S	30.6	Very low	36.9	Very low	99 Å²	99	129.2 Å²	129.2	69%	0.692	75%	0.749	S	S	*	*			trans	-120.7	108.5	154.2	42.3	0	0	0	0	111	S776	S774-S776 VanDerWaalsContact C-N 3.25Å; S774-S776 PolarHBondContact O-N 2.9Å
775	V	30.8	Very low	35.9	Very low	150 Å²	150	126.3 Å²	126.3	91%	0.909	74%	0.74	S	S	*	*			trans	-84.2	59.5	-172.6	-170.3	0	0	0	0	111.4
776	S	29.2	Very low	35.5	Very low	95 Å²	95	130.1 Å²	130.1	66%	0.664	75%	0.749	S	S	*	*			trans	-160.7	72.4	176.4	59.5	0	0	0	0	113.4	S774	S774-S776 VanDerWaalsContact C-N 3.25Å; S774-S776 PolarHBondContact O-N 2.9Å
777	S	28.4	Very low	34.6	Very low	110 Å²	110	134.4 Å²	134.4	77%	0.769	76%	0.756	S	S	*	*			trans	-132.6	44.8	172.9	43.5	0	0	0	0	112.7
778	S	29.1	Very low	33.8	Very low	82 Å²	82	134.6 Å²	134.6	57%	0.573	76%	0.76	S	S	*	*			trans	-97.3	124.2	160.9	-57.9	0	0	0	0	108.5	S780	S778-S780 WeakPolarHBondContact CB-OG 3.48Å; S778-S780 PolarHBondContact O-N 3.28Å
779	I	30.5	Very low	33.1	Very low	189 Å²	189	132.6 Å²	132.6	97%	0.969	76%	0.756	S	S	*	*	S	Bend	trans	-76.4	71.9	172.4	-64.8	178.6	0	0	0	108.3
780	S	32.7	Very low	32.7	Very low	107 Å²	107	132.2 Å²	132.2	75%	0.748	75%	0.754	S	S	*	*	S	Bend	trans	-163.8	27.5	-178	65.4	0	0	0	0	111.3	S778	S778-S780 WeakPolarHBondContact CB-OG 3.48Å; S778-S780 PolarHBondContact O-N 3.28Å
781	S	30.8	Very low	32.5	Very low	80 Å²	80	134.8 Å²	134.8	56%	0.559	76%	0.758	S	S	*	*			trans	-147.6	24.7	-175.2	68.4	0	0	0	0	115.8
782	L	31.4	Very low	32.5	Very low	171 Å²	171	138.6 Å²	138.6	90%	0.895	76%	0.761	S	S	*	*			trans	-81.9	118.1	157.1	-80.6	171	0	0	0	108.3
783	K	38.1	Very low	32.3	Very low	158 Å²	158	141.6 Å²	141.6	69%	0.687	77%	0.767	S	S	*	*			trans	-92.5	150.3	175.4	-69.5	175.9	-178.1	169.9	0	109.4	T785	K783-T785 PolarHBondContact O-N 3.31Å
784	P	33.2	Very low	32.3	Very low	140 Å²	140	145.3 Å²	145.3	91%	0.909	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	42.7	-175.9	-19.6	34.7	0	0	0	115.6
785	T	39.3	Very low	32.3	Very low	86 Å²	86	150.5 Å²	150.5	53%	0.528	78%	0.779	S	S	.	*	T	Hydrogen-bonded Turn	trans	-136.3	-8.3	-163.2	44.9	0	0	0	0	117	K783 R787	K783-T785 PolarHBondContact O-N 3.31Å; T785-R787 WeakPolarHBondContact O-CD 3.38Å; T785-R787 VanDerWaalsContact O-CG 3.22Å; T785-R787 WeakPolarHBondContact O-CG 3.26Å
786	D	39.2	Very low	32.4	Very low	129 Å²	129	154.8 Å²	154.8	69%	0.69	78%	0.779	S	S	*	*			trans	-107.7	85.6	-176	-55.2	-45.9	0	0	0	109.2
787	R	33.1	Very low	32.4	Very low	218 Å²	218	155.6 Å²	155.6	82%	0.823	78%	0.782	S	S	*	*				61.8	124.7	69.8	-81.8	176.3	166.1	-162.3	-1.3	113.3	T785	T785-R787 WeakPolarHBondContact O-CD 3.38Å; T785-R787 VanDerWaalsContact O-CG 3.22Å; T785-R787 WeakPolarHBondContact O-CG 3.26Å
788	K	33.2	Very low	32.4	Very low	175 Å²	175	155.8 Å²	155.8	76%	0.761	78%	0.783	S	S	*	*			cis	-145	157.1	-2.7	-72.6	162.4	-178.1	169.7	0	106.8
789	M	29.5	Very low	32.6	Very low	168 Å²	168	156 Å²	156	83%	0.828	79%	0.79	S	S	*	*	S	Bend		-169.2	153.4	73.9	-67	-120.2	-84.1	0	0	108.2
790	T	32.9	Very low	32.6	Very low	123 Å²	123	155.4 Å²	155.4	76%	0.755	78%	0.78	S	S	*	*			cis	-152.4	140.3	-3.7	0.6	0	0	0	0	109.5
791	P	31.3	Very low	32.5	Very low	124 Å²	124	160.2 Å²	160.2	81%	0.805	79%	0.788	S	S	*	*			trans	-126.2	132.5	-170	38.5	-24.5	0	0	0	117.6
792	K	33.4	Very low	32.7	Very low	189 Å²	189	163.7 Å²	163.7	82%	0.822	80%	0.796	S	S	*	*			trans	-147	144.3	155.4	-59.4	179.2	-174.8	168.1	0	106.4
793	Y	32.3	Very low	32.8	Very low	226 Å²	226	163 Å²	163	89%	0.886	79%	0.787	S	S	*	*			cis	-130.1	176.1	23.9	-92.3	-91.1	0	0	0	114.4
794	R	28.9	Very low	32.5	Very low	233 Å²	233	162 Å²	162	88%	0.879	79%	0.794	S	S	*	*			trans	-116.2	140.1	179.1	-65.4	165.5	162.5	161.8	-9	111.4
795	K	32.3	Very low	32.5	Very low	208 Å²	208	160 Å²	160	90%	0.904	78%	0.784	S	S	*	*				176.6	141.4	109.1	-94	167.2	-176.8	177.5	0	113
796	R	31.4	Very low	32.4	Very low	239 Å²	239	159.9 Å²	159.9	90%	0.902	79%	0.787	S	S	*	*			trans	-87.5	165.5	166.4	-91.9	-179.8	-176.8	176.9	1.6	108.8
797	P	29.9	Very low	31.9	Very low	112 Å²	112	165.5 Å²	165.5	73%	0.727	80%	0.798	S	S	*	*				-159.3	161.8	51.6	44.9	-22.9	0	0	0	122.4
798	S	27.4	Very low	31.7	Very low	114 Å²	114	162.3 Å²	162.3	80%	0.797	80%	0.797	S	S	*	*			trans	59.7	98.1	137.6	65.3	0	0	0	0	123.6
799	A	33.5	Very low	31.7	Very low	87 Å²	87	158.6 Å²	158.6	72%	0.719	79%	0.785	S	S	*	*				-144.4	126	127.1	0	0	0	0	0	106.6
800	K	31.7	Very low	31.6	Very low	176 Å²	176	156.1 Å²	156.1	77%	0.765	78%	0.784	S	S	*	*				70.5	64.5	71.7	-75.9	-164.3	175.8	-173.9	0	116.1	E802	K800-E802 VanDerWaalsContact C-N 3.31Å; K800-E802 PolarHBondContact O-N 3.3Å
801	K	29.8	Very low	31.3	Very low	209 Å²	209	155.1 Å²	155.1	91%	0.909	78%	0.783	S	S	*	*	S	Bend		27	51.6	118.7	-152.6	-172.5	-177.1	-175.9	0	118.8
802	E	34.9	Very low	31.2	Very low	153 Å²	153	156.4 Å²	156.4	72%	0.715	78%	0.783	S	S	*	*			trans	-141.4	-26.3	169.3	-105.3	154	163.4	0	0	112.6	K800 V804 S805	K800-E802 VanDerWaalsContact C-N 3.31Å; K800-E802 PolarHBondContact O-N 3.3Å; E802-V804 PolarHBondContact O-N 2.96Å; E802-S805 PolarHBondContact O-N 3.34Å; E802-S805 PolarHBondContact O-OG 2.74Å
803	E	33.8	Very low	30.9	Very low	155 Å²	155	152.7 Å²	152.7	72%	0.724	78%	0.78	S	S	*	*	G	3₁₀ helix	trans	-69.3	-1.5	-174.9	-62	172.7	130	0	0	116.1	S805 S806	E803-S805 PolarHBondContact O-N 3.46Å; E803-S806 PolarHBondContact O-OG 2.86Å
804	V	32.2	Very low	30.8	Very low	137 Å²	137	146.1 Å²	146.1	83%	0.83	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-75.6	-3.7	174	-170.8	0	0	0	0	111.6	E802	E802-V804 PolarHBondContact O-N 2.96Å
805	S	33.6	Very low	30.8	Very low	99 Å²	99	142.6 Å²	142.6	69%	0.692	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-106.3	-5	-172.7	-38.6	0	0	0	0	114.4	E802 E803	E802-S805 PolarHBondContact O-N 3.34Å; E802-S805 PolarHBondContact O-OG 2.74Å; E803-S805 PolarHBondContact O-N 3.46Å
806	S	35.5	Very low	30.5	Very low	84 Å²	84	138.1 Å²	138.1	59%	0.587	74%	0.739	S	S	*	*	S	Bend	trans	-101.1	-8.6	-174.5	45.8	0	0	0	0	114.6	E803 L808	E803-S806 PolarHBondContact O-OG 2.86Å; S806-L808 PolarHBondContact O-N 2.91Å
807	W	29.1	Very low	30.3	Very low	246 Å²	246	129.8 Å²	129.8	93%	0.932	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	12.7	-177.8	-109.1	60.3	0	0	0	115.2
808	L	29.7	Very low	30	Very low	152 Å²	152	130 Å²	130	80%	0.796	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.8	19.5	-165.9	-107.8	171.4	0	0	0	114.8	S806	S806-L808 PolarHBondContact O-N 2.91Å
809	N	32.1	Very low	29.9	Very low	97 Å²	97	132.1 Å²	132.1	52%	0.519	70%	0.701	S	S	.	*	S	Bend	trans	-139.8	136	-178.9	-78.7	-54.5	0	0	0	114.8	W222	W222-N809 WeakPolarHBondContact CH2-OD1 3.32Å; W222-N809 WeakPolarHBondContact CZ2-OD1 3.43Å
810	S	28.8	Very low	29.5	Very low	115 Å²	115	132 Å²	132	80%	0.804	69%	0.691	S	S	*	*			trans	57.3	93.4	157.2	49.1	0	0	0	0	118.7
811	S	26.7	Very low	29.3	Very low	103 Å²	103	127.2 Å²	127.2	72%	0.72	67%	0.674	S	S	*	*			trans	-64.7	155.9	148.6	52.8	0	0	0	0	112.6
812	N	29.3	Very low	29.2	Very low	150 Å²	150	117.9 Å²	117.9	80%	0.802	64%	0.636	S	S	*	*				-178.6	115.1	129	-91.3	-6.5	0	0	0	112.2
813	S	26.8	Very low	29	Very low	111 Å²	111	115.2 Å²	115.2	78%	0.776	63%	0.627	S	S	*	*				24.8	145.8	118.2	-145.9	0	0	0	0	119.1
814	P	28.8	Very low	28.6	Very low	89 Å²	89	110.4 Å²	110.4	58%	0.578	61%	0.606	S	S	*	*			cis	-132.3	-160.5	26.5	23.4	3.5	0	0	0	114.9
815	Y	28.7	Very low	28.5	Very low	158 Å²	158	110.1 Å²	110.1	62%	0.62	59%	0.591	S	S	*	*			trans	76.9	104.6	165.6	-79.2	-75.7	0	0	0	115.2	D172	D172-Y815 WeakPolarHBondContact OD2-CA 3.44Å; D172-Y815 WeakPolarHBondContact OD2-CB 3.48Å; D172-Y815 WeakPolarHBondContact OD2-CD1 3.45Å
816	N	27	Very low	28.3	Very low	114 Å²	114	106.9 Å²	106.9	61%	0.61	57%	0.567	S	S	*	*			cis	99.7	107.7	8.8	-171.5	98.6	0	0	0	119.2	D171 D172	D171-N816 CarbonylContact C-O 3.58Å; D172-N816 PolarHBondContact N-O 2.78Å; D172-N816 VanDerWaalsContact OD2-C 3.23Å; D172-N816 WeakPolarHBondContact OD2-CA 3.15Å; D172-N816 PolarHBondContact OD2-N 2.75Å; D172-N816 VanDerWaalsContact OD2-N 3.09Å
817	P	27	Very low	27.8	Very low	64 Å²	64	106.2 Å²	106.2	42%	0.416	56%	0.563	S	S	.	*			cis	-143.1	-144.4	0.7	39.2	-14.8	0	0	0	113.1	D171	D171-P817 WeakPolarHBondContact O-CD 3.49Å
818	I	24.6	Very low	27.7	Very low	116 Å²	116	99 Å²	99	60%	0.595	54%	0.536	S	S	*	.			trans	104.8	110.5	163.1	-59	160.5	0	0	0	116.5
819	R	24.6	Very low	27.6	Very low	160 Å²	160	94.1 Å²	94.1	60%	0.604	51%	0.513	S	S	*	.			trans	61.1	152.1	149	-69.2	174.6	-174.4	-164.8	-3.1	119.9	E150	E150-R819 WeakPolarHBondContact OE1-CD 3.35Å; E150-R819 IonicContact OE1-CZ 2.74Å; E150-R819 IonicContact OE1-NE 3.27Å; E150-R819 IonicContact OE1-NH1 3.66Å; E150-R819 PolarHBondContact OE1-NH1 3.32Å
820	V	25.9	Very low	27.3	Very low	85 Å²	85	93.8 Å²	93.8	52%	0.515	52%	0.518	S	S	.	.			cis	-143.5	-177.6	-20.4	100.6	0	0	0	0	110.3	R179	R179-V820 PolarHBondContact NH1-O 2.89Å; R179-V820 VanDerWaalsContact NH1-O 3.09Å; R179-V820 PolarHBondContact NH2-O 2.84Å
821	D	26.3	Very low	27.1	Very low	75 Å²	75	90.6 Å²	90.6	40%	0.401	49%	0.492	S	S	.	.			trans	-53.3	-171.2	170.2	-55.4	-86.3	0	0	0	115.1	R179 N181 T724	R179-D821 VanDerWaalsContact NH1-C 3.34Å; R179-D821 PolarHBondContact NH1-O 2.85Å; N181-D821 PolarHBondContact ND2-O 3.09Å; T724-D821 WeakPolarHBondContact CG2-OD1 3.36Å
822	G	29	Very low	26.9	Very low	12 Å²	12	90.5 Å²	90.5	12%	0.124	49%	0.486	C	S	.	.			trans	109.9	79.3	-166.6	0	0	0	0	0	109.5	R179	R179-G822 WeakPolarHBondContact CD-O 3.35Å; R179-G822 PolarHBondContact NH1-O 2.74Å
823	N	28.8	Very low	26.9	Very low	97 Å²	97	87.9 Å²	87.9	52%	0.519	47%	0.466	S	S	.	.				61.7	115.5	76.7	-58.6	-14.5	0	0	0	111.9
824	I	26.1	Very low	26.7	Very low	55 Å²	55	86.6 Å²	86.6	28%	0.282	46%	0.462	S	S	.	.				-133	133.9	128.3	-79.2	-142	0	0	0	108.6	E182 P194	E182-I824 HydrophobicContact CG-CD1 3.94Å; E182-I824 HydrophobicContact CG-CG1 3.88Å; E182-I824 VanDerWaalsContact OE2-CA 3.27Å; E182-I824 WeakPolarHBondContact OE2-CA 3.35Å; P194-I824 HydrophobicContact CB-CD1 3.53Å; P194-I824 HydrophobicContact CB-CG1 3.85Å; P194-I824 HydrophobicContact CG-CB 4.11Å; P194-I824 HydrophobicContact CG-CD1 4.02Å; P194-I824 HydrophobicContact CG-CG1 3.84Å
825	Y	29.7	Very low	26.5	Very low	131 Å²	131	87.2 Å²	87.2	51%	0.514	48%	0.475	S	S	.	.			trans	-100.6	-146.3	179.8	-100.3	-71.7	0	0	0	108.1	E182 Q185	E182-Y825 WeakPolarHBondContact OE2-CB 3.44Å; E182-Y825 PolarHBondContact OE2-N 3.17Å; Q185-Y825 HydrophobicContact CG-CD2 4.16Å; Q185-Y825 HydrophobicContact CG-CG 4.1Å; Q185-Y825 VanDerWaalsContact NE2-CE1 3.27Å; Q185-Y825 VanDerWaalsContact NE2-CG 3.28Å; Q185-Y825 VanDerWaalsContact NE2-CZ 3.35Å
826	P	29.5	Very low	26.3	Very low	30 Å²	30	83.6 Å²	83.6	20%	0.195	48%	0.477	C	S	.	.			cis	-87.5	-153.7	-35.3	29.7	-17.1	0	0	0	110.1	N191 Y828	N191-P826 PolarHBondContact ND2-O 3.4Å; P826-Y828 HydrophobicContact CB-CD1 4.26Å; P826-Y828 HydrophobicContact CB-CE1 3.77Å; P826-Y828 HydrophobicContact CG-CE1 3.9Å; P826-Y828 HydrophobicContact CG-CE2 4.4Å; P826-Y828 WeakPolarHBondContact CG-OH 3.2Å
827	S	25.4	Very low	26.1	Very low	71 Å²	71	83.6 Å²	83.6	50%	0.497	48%	0.484	S	S	.	.			cis	-176.2	166.3	26.9	88.5	0	0	0	0	110.8	N191	N191-S827 WeakPolarHBondContact ND2-CB 3.47Å; N191-S827 PolarHBondContact ND2-N 2.9Å; N191-S827 PolarHBondContact ND2-OG 3.47Å; N191-S827 WeakPolarHBondContact OD1-CB 3.49Å; N191-S827 PolarHBondContact OD1-OG 3.13Å
828	Y	26.3	Very low	26	Very low	94 Å²	94	87.9 Å²	87.9	37%	0.369	50%	0.501	S	S	.	.			cis	-154.3	-159.1	-5.9	-112	-20.6	0	0	0	109.1	S186 S187 R189 P826	S186-Y828 PolarHBondContact O-OH 3.29Å; S187-Y828 VanDerWaalsContact C-OH 3.23Å; S187-Y828 VanDerWaalsContact CA-OH 3.28Å; S187-Y828 WeakPolarHBondContact CA-OH 3.43Å; S187-Y828 PolarHBondContact O-OH 3.13Å; S187-Y828 VanDerWaalsContact O-OH 3.13Å; R189-Y828 PolarHBondContact O-OH 2.96Å; P826-Y828 HydrophobicContact CB-CD1 4.26Å; P826-Y828 HydrophobicContact CB-CE1 3.77Å; P826-Y828 HydrophobicContact CG-CE1 3.9Å; P826-Y828 HydrophobicContact CG-CE2 4.4Å; P826-Y828 WeakPolarHBondContact CG-OH 3.2Å
829	T	28.7	Very low	26	Very low	50 Å²	50	88.7 Å²	88.7	31%	0.307	51%	0.505	S	S	.	.			trans	73.7	120.1	160.2	76.8	0	0	0	0	120	K1103 N1118 S1119 E1120	T829-K1103 PolarHBondContact O-NZ 3.27Å; T829-N1118 PolarHBondContact OG1-O 2.9Å; T829-S1119 WeakPolarHBondContact CB-OG 3.43Å; T829-S1119 WeakPolarHBondContact CG2-OG 3.41Å; T829-S1119 PolarHBondContact OG1-OG 3.28Å; T829-E1120 HydrophobicContact CG2-CG 4.3Å
830	S	25.2	Very low	26.1	Very low	89 Å²	89	87.6 Å²	87.6	62%	0.622	51%	0.507	S	S	*	.			trans	-89.5	165.8	176.2	45.9	0	0	0	0	112.8
831	N	25.5	Very low	26.1	Very low	49 Å²	49	93.6 Å²	93.6	26%	0.262	53%	0.527	S	S	.	.			trans	-161	147	164.9	-103.9	-89.9	0	0	0	105.4	Y833 K1105 S1119	N831-Y833 HydrophobicContact CB-CE2 4.41Å; N831-Y833 WeakPolarHBondContact O-CD2 3.49Å; N831-K1105 WeakPolarHBondContact OD1-CD 3.47Å; N831-S1119 WeakPolarHBondContact ND2-CB 3.09Å
832	V	23.1	Very low	26	Very low	100 Å²	100	92.4 Å²	92.4	61%	0.606	52%	0.524	S	S	*	.			trans	-58.7	135.1	-177	-176.6	0	0	0	0	112.4	Q1153	V832-Q1153 PolarHBondContact O-NE2 3.18Å
833	Y	27.4	Very low	26	Very low	95 Å²	95	96.9 Å²	96.9	37%	0.373	55%	0.545	S	S	.	.			trans	-143.4	134.9	170.8	-74	-77.8	0	0	0	110.4	N831 N1035 E1151	N831-Y833 HydrophobicContact CB-CE2 4.41Å; N831-Y833 WeakPolarHBondContact O-CD2 3.49Å; Y833-N1035 HydrophobicContact CE1-CB 4.27Å; Y833-E1151 WeakPolarHBondContact CD1-OE2 3.46Å; Y833-E1151 VanDerWaalsContact CE1-OE2 3.25Å; Y833-E1151 WeakPolarHBondContact CE1-OE2 3.4Å
834	A	23.7	Very low	26	Very low	84 Å²	84	96.3 Å²	96.3	69%	0.694	54%	0.54	S	S	*	.			trans	-64.9	149	162.6	0	0	0	0	0	110	A836	A834-A836 PolarHBondContact O-N 3.28Å
835	A	23.9	Very low	26.2	Very low	102 Å²	102	101.8 Å²	101.8	84%	0.843	57%	0.565	S	S	*	*			trans	-58.7	114.1	-173.5	0	0	0	0	0	112.2
836	A	24.6	Very low	26.3	Very low	82 Å²	82	101.8 Å²	101.8	68%	0.678	57%	0.574	S	S	*	*			trans	-63	131.2	167.7	0	0	0	0	0	108.8	A834	A834-A836 PolarHBondContact O-N 3.28Å
837	P	23.1	Very low	26.3	Very low	114 Å²	114	106.1 Å²	106.1	74%	0.74	59%	0.587	S	S	*	*			trans	-59.8	143.2	-177.2	25.5	-35	0	0	0	110.4	I839	P837-I839 PolarHBondContact O-N 3.45Å
838	I	24.3	Very low	26.7	Very low	154 Å²	154	105.5 Å²	105.5	79%	0.79	58%	0.578	S	S	*	*			trans	-46.5	96.9	-169.3	-57.5	165.3	0	0	0	111.4	Q840	I838-Q840 HydrophobicContact CG2-CG 4.12Å; I838-Q840 PolarHBondContact O-N 3.26Å
839	I	25.1	Very low	27.2	Very low	133 Å²	133	105.3 Å²	105.3	68%	0.682	58%	0.583	S	S	*	*			trans	-76.3	83.3	165.1	-55.7	-177.7	0	0	0	106	P837 K841	P837-I839 PolarHBondContact O-N 3.45Å; I839-K841 PolarHBondContact O-N 3.07Å
840	Q	26.3	Very low	27.4	Very low	137 Å²	137	108.6 Å²	108.6	64%	0.64	59%	0.593	S	S	*	*			trans	-44.6	138.7	164.8	-78	-175.4	-24.9	0	0	108.9	I838 S842	I838-Q840 HydrophobicContact CG2-CG 4.12Å; I838-Q840 PolarHBondContact O-N 3.26Å; Q840-S842 PolarHBondContact O-N 3.43Å
841	K	26.1	Very low	27.9	Very low	212 Å²	212	109 Å²	109	92%	0.922	59%	0.588	S	S	*	*			trans	-70.1	61.8	162.4	-80.2	-176.5	175.2	175.4	0	110	I839 L843	I839-K841 PolarHBondContact O-N 3.07Å; K841-L843 VanDerWaalsContact C-N 3.25Å; K841-L843 PolarHBondContact O-N 3.49Å
842	S	25.6	Very low	28.5	Very low	50 Å²	50	107.9 Å²	107.9	35%	0.35	58%	0.582	S	S	.	*			trans	-67.2	89.7	161.5	52.8	0	0	0	0	108	Q840 I844	Q840-S842 PolarHBondContact O-N 3.43Å; S842-I844 WeakPolarHBondContact O-CG1 3.47Å; S842-I844 PolarHBondContact O-N 3.47Å
843	L	27.8	Very low	29.2	Very low	106 Å²	106	107 Å²	107	56%	0.555	57%	0.573	S	S	*	*				48.7	25.1	129.4	-76.1	173.7	0	0	0	119.4	K841 Y847 L848	K841-L843 VanDerWaalsContact C-N 3.25Å; K841-L843 PolarHBondContact O-N 3.49Å; L843-Y847 HydrophobicContact CB-CG 4.39Å; L843-Y847 HydrophobicContact CD1-CD1 4.19Å; L843-Y847 HydrophobicContact CD1-CG 4.32Å; L843-Y847 HydrophobicContact CD2-CD1 4.4Å; L843-Y847 HydrophobicContact CD2-CD2 3.87Å; L843-Y847 HydrophobicContact CD2-CE2 4.35Å; L843-Y847 HydrophobicContact CD2-CG 3.88Å; L843-Y847 HydrophobicContact CG-CG 4.43Å; L843-Y847 WeakPolarHBondContact O-CB 3.16Å; L843-Y847 PolarHBondContact O-N 2.88Å; L843-L848 PolarHBondContact O-N 3.19Å
844	I	28.5	Very low	29.5	Very low	84 Å²	84	109.1 Å²	109.1	43%	0.431	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.5	120.7	162.7	-15.7	-165.8	0	0	0	106.3	S842 L848	S842-I844 WeakPolarHBondContact O-CG1 3.47Å; S842-I844 PolarHBondContact O-N 3.47Å; I844-L848 HydrophobicContact CB-CD1 4.32Å; I844-L848 HydrophobicContact CD1-CD1 4.01Å; I844-L848 HydrophobicContact CG1-CD1 3.9Å; I844-L848 HydrophobicContact CG2-CB 4.37Å; I844-L848 HydrophobicContact CG2-CD1 3.87Å
845	Q	31.5	Very low	30.2	Very low	170 Å²	170	106.9 Å²	106.9	79%	0.794	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	cis	-127	-12.9	35.8	-70.2	163.8	-64.2	0	0	116.9
846	N	31.3	Very low	31.1	Very low	132 Å²	132	103.5 Å²	103.5	71%	0.706	53%	0.533	S	S	*	.	H	α-helix	trans	-91.9	-20.1	-177.6	-84.7	-37.3	0	0	0	115.1
847	Y	28.9	Very low	31.9	Very low	120 Å²	120	107.7 Å²	107.7	47%	0.471	54%	0.536	S	S	.	.	H	α-helix	trans	-96.8	-32.4	-177.5	-91.7	-105.5	0	0	0	112.8	L843 L849 K850 N851	L843-Y847 HydrophobicContact CB-CG 4.39Å; L843-Y847 HydrophobicContact CD1-CD1 4.19Å; L843-Y847 HydrophobicContact CD1-CG 4.32Å; L843-Y847 HydrophobicContact CD2-CD1 4.4Å; L843-Y847 HydrophobicContact CD2-CD2 3.87Å; L843-Y847 HydrophobicContact CD2-CE2 4.35Å; L843-Y847 HydrophobicContact CD2-CG 3.88Å; L843-Y847 HydrophobicContact CG-CG 4.43Å; L843-Y847 WeakPolarHBondContact O-CB 3.16Å; L843-Y847 PolarHBondContact O-N 2.88Å; Y847-L849 PolarHBondContact O-N 3.27Å; Y847-K850 PolarHBondContact O-N 2.97Å; Y847-N851 PolarHBondContact O-N 3.25Å
848	L	34.7	Very low	32.5	Very low	58 Å²	58	106.7 Å²	106.7	30%	0.304	53%	0.53	S	S	.	.	H	α-helix	trans	-59.8	-37.2	170.2	-126.8	166.4	0	0	0	111.4	L843 I844 I852	L843-L848 PolarHBondContact O-N 3.19Å; I844-L848 HydrophobicContact CB-CD1 4.32Å; I844-L848 HydrophobicContact CD1-CD1 4.01Å; I844-L848 HydrophobicContact CG1-CD1 3.9Å; I844-L848 HydrophobicContact CG2-CB 4.37Å; I844-L848 HydrophobicContact CG2-CD1 3.87Å; L848-I852 HydrophobicContact CD2-CD1 3.51Å; L848-I852 HydrophobicContact CD2-CG1 4.04Å; L848-I852 WeakPolarHBondContact O-CB 3.39Å; L848-I852 VanDerWaalsContact O-CG1 3.28Å; L848-I852 WeakPolarHBondContact O-CG1 3.39Å; L848-I852 PolarHBondContact O-N 3.03Å
849	L	35.3	Very low	33.5	Very low	91 Å²	91	105.2 Å²	105.2	48%	0.476	52%	0.524	S	S	.	.	H	α-helix	trans	-66.2	-39.6	172.1	-153.3	79.8	0	0	0	112.2	Y847 I853	Y847-L849 PolarHBondContact O-N 3.27Å; L849-I853 HydrophobicContact CD2-CD1 4.17Å; L849-I853 HydrophobicContact CG-CD1 3.94Å; L849-I853 VanDerWaalsContact O-CB 3.29Å; L849-I853 WeakPolarHBondContact O-CB 3.4Å; L849-I853 WeakPolarHBondContact O-CD1 3.3Å; L849-I853 WeakPolarHBondContact O-CG1 3.45Å; L849-I853 PolarHBondContact O-N 2.83Å
850	K	34	Very low	34.9	Very low	119 Å²	119	100.6 Å²	100.6	52%	0.517	50%	0.502	S	S	.	.	H	α-helix	trans	-64.7	-46.5	175.9	-80.1	-178.4	173.9	-178.6	0	112.6	Y847 I853 Q854	Y847-K850 PolarHBondContact O-N 2.97Å; K850-I853 CarbonylContact O-C 3.52Å; K850-I853 PolarHBondContact O-N 3.48Å; K850-Q854 PolarHBondContact O-N 2.92Å
851	N	36.1	Very low	36.4	Very low	98 Å²	98	97.1 Å²	97.1	52%	0.524	49%	0.49	S	S	.	.	H	α-helix	trans	-67.7	-37.6	-179.7	-72.8	17.9	0	0	0	111.3	Y847 Q854 S855	Y847-N851 PolarHBondContact O-N 3.25Å; N851-Q854 PolarHBondContact O-N 2.85Å; N851-S855 PolarHBondContact O-N 2.95Å; N851-S855 PolarHBondContact O-OG 2.83Å
852	I	38	Very low	38.3	Very low	24 Å²	24	87.5 Å²	87.5	12%	0.123	45%	0.449	C	S	.	.	H	α-helix	trans	-65.2	-42.2	171.6	-71.9	170.4	0	0	0	110.9	L848 Q854 S855 I856 L1010	L848-I852 HydrophobicContact CD2-CD1 3.51Å; L848-I852 HydrophobicContact CD2-CG1 4.04Å; L848-I852 WeakPolarHBondContact O-CB 3.39Å; L848-I852 VanDerWaalsContact O-CG1 3.28Å; L848-I852 WeakPolarHBondContact O-CG1 3.39Å; L848-I852 PolarHBondContact O-N 3.03Å; I852-Q854 VanDerWaalsContact C-N 3.26Å; I852-Q854 PolarHBondContact O-N 3.35Å; I852-S855 WeakPolarHBondContact CA-OG 3.37Å; I852-S855 PolarHBondContact O-N 3.14Å; I852-S855 PolarHBondContact O-OG 2.95Å; I852-I856 HydrophobicContact CG2-CD1 3.56Å; I852-I856 HydrophobicContact CG2-CG1 4.18Å; I852-I856 WeakPolarHBondContact O-CB 3.28Å; I852-I856 WeakPolarHBondContact O-CD1 3.42Å; I852-I856 WeakPolarHBondContact O-CG1 3.37Å; I852-I856 PolarHBondContact O-N 2.91Å; I852-L1010 HydrophobicContact CD1-CB 4.32Å
853	I	37	Very low	40.4	Very low	83 Å²	83	90.2 Å²	90.2	43%	0.426	46%	0.46	S	S	.	.	H	α-helix	trans	-66.6	-26	175.2	-72.2	166.2	0	0	0	112.4	L849 K850	L849-I853 HydrophobicContact CD2-CD1 4.17Å; L849-I853 HydrophobicContact CG-CD1 3.94Å; L849-I853 VanDerWaalsContact O-CB 3.29Å; L849-I853 WeakPolarHBondContact O-CB 3.4Å; L849-I853 WeakPolarHBondContact O-CD1 3.3Å; L849-I853 WeakPolarHBondContact O-CG1 3.45Å; L849-I853 PolarHBondContact O-N 2.83Å; K850-I853 CarbonylContact O-C 3.52Å; K850-I853 PolarHBondContact O-N 3.48Å
854	Q	34.8	Very low	42.5	Very low	138 Å²	138	85.8 Å²	85.8	65%	0.645	44%	0.436	S	S	*	.	H	α-helix	trans	-78.2	-37.4	172.1	-78.3	-177.9	-60.5	0	0	112.6	K850 N851 I852	K850-Q854 PolarHBondContact O-N 2.92Å; N851-Q854 PolarHBondContact O-N 2.85Å; I852-Q854 VanDerWaalsContact C-N 3.26Å; I852-Q854 PolarHBondContact O-N 3.35Å
855	S	38.5	Very low	44.3	Very low	37 Å²	37	85.2 Å²	85.2	26%	0.259	44%	0.438	S	S	.	.	H	α-helix	trans	-69.7	-44.3	174.5	58.4	0	0	0	0	111.8	N851 I852 K857 C858 T860	N851-S855 PolarHBondContact O-N 2.95Å; N851-S855 PolarHBondContact O-OG 2.83Å; I852-S855 WeakPolarHBondContact CA-OG 3.37Å; I852-S855 PolarHBondContact O-N 3.14Å; I852-S855 PolarHBondContact O-OG 2.95Å; S855-K857 PolarHBondContact O-N 2.67Å; S855-C858 PolarHBondContact O-N 2.81Å; S855-C858 VanDerWaalsContact O-N 3.13Å; S855-T860 VanDerWaalsContact C-OG1 3.22Å; S855-T860 WeakPolarHBondContact O-CB 3.49Å; S855-T860 WeakPolarHBondContact O-CG2 3.21Å; S855-T860 PolarHBondContact O-OG1 2.89Å
856	I	42.4	Very low	46	Very low	31 Å²	31	83 Å²	83	16%	0.159	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-28.1	-179.5	-77.9	167.7	0	0	0	114.1	I852 C858 M862 L1007 D1008	I852-I856 HydrophobicContact CG2-CD1 3.56Å; I852-I856 HydrophobicContact CG2-CG1 4.18Å; I852-I856 WeakPolarHBondContact O-CB 3.28Å; I852-I856 WeakPolarHBondContact O-CD1 3.42Å; I852-I856 WeakPolarHBondContact O-CG1 3.37Å; I852-I856 PolarHBondContact O-N 2.91Å; I856-C858 VanDerWaalsContact C-N 3.33Å; I856-C858 PolarHBondContact O-N 2.94Å; I856-M862 HydrophobicContact CD1-CE 3.93Å; I856-M862 HydrophobicContact CG1-CE 3.39Å; I856-L1007 VanDerWaalsContact CD1-O 3.31Å; I856-L1007 WeakPolarHBondContact CD1-O 3.44Å; I856-L1007 WeakPolarHBondContact CG1-O 3.23Å; I856-D1008 WeakPolarHBondContact CD1-O 3.17Å
857	K	40.6	Very low	47.8	Very low	171 Å²	171	79.7 Å²	79.7	74%	0.743	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-8.9	-176.5	-71.2	-175.5	174.7	-170.9	0	116.3	S855	S855-K857 PolarHBondContact O-N 2.67Å
858	C	35.8	Very low	50.1	Low	92 Å²	92	74 Å²	74	62%	0.622	39%	0.387	S	S	*	.	S	Bend	trans	-138.5	63.1	-164.7	-62.7	0	0	0	0	115	S855 I856 T860	S855-C858 PolarHBondContact O-N 2.81Å; S855-C858 VanDerWaalsContact O-N 3.13Å; I856-C858 VanDerWaalsContact C-N 3.33Å; I856-C858 PolarHBondContact O-N 2.94Å; C858-T860 HydrophobicContact CB-CG2 4.49Å; C858-T860 WeakPolarHBondContact O-CG2 3.29Å; C858-T860 PolarHBondContact O-N 3.25Å; C858-T860 VanDerWaalsContact O-N 3.09Å
859	D	45.6	Very low	51.9	Low	124 Å²	124	74.4 Å²	74.4	66%	0.663	39%	0.392	S	S	*	.	S	Bend	trans	48.1	40.1	172.7	-69	-40.5	0	0	0	114.9	S1002	D859-S1002 PolarHBondContact OD1-OG 2.8Å
860	T	53.7	Low	53.7	Low	36 Å²	36	72.5 Å²	72.5	22%	0.221	38%	0.381	C	S	.	.			trans	-87.1	138.2	-155.1	27.9	0	0	0	0	116.6	S855 C858 M862	S855-T860 VanDerWaalsContact C-OG1 3.22Å; S855-T860 WeakPolarHBondContact O-CB 3.49Å; S855-T860 WeakPolarHBondContact O-CG2 3.21Å; S855-T860 PolarHBondContact O-OG1 2.89Å; C858-T860 HydrophobicContact CB-CG2 4.49Å; C858-T860 WeakPolarHBondContact O-CG2 3.29Å; C858-T860 PolarHBondContact O-N 3.25Å; C858-T860 VanDerWaalsContact O-N 3.09Å; T860-M862 PolarHBondContact O-N 3.2Å
861	T	58.7	Low	55.6	Low	63 Å²	63	66.8 Å²	66.8	39%	0.387	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	121.3	145.9	42.8	0	0	0	0	109.7	D863 K998	T861-D863 PolarHBondContact O-N 2.79Å; T861-K998 HydrophobicContact CG2-CB 3.97Å; T861-K998 HydrophobicContact CG2-CD 3.79Å; T861-K998 HydrophobicContact CG2-CG 3.77Å
862	M	66.5	Low	57.8	Low	11 Å²	11	65 Å²	65	5%	0.054	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	87.6	162.1	-65.8	-172.8	171.9	0	0	108.2	I856 T860 L864 I997 L1007 L1010	I856-M862 HydrophobicContact CD1-CE 3.93Å; I856-M862 HydrophobicContact CG1-CE 3.39Å; T860-M862 PolarHBondContact O-N 3.2Å; M862-L864 PolarHBondContact O-N 3.05Å; M862-I997 CarbonylContact C-O 3.59Å; M862-I997 WeakPolarHBondContact CA-O 3.39Å; M862-I997 VanDerWaalsContact CB-O 3.31Å; M862-I997 WeakPolarHBondContact CB-O 3.47Å; M862-I997 PolarHBondContact N-O 3.34Å; M862-I997 PolarHBondContact O-N 3.35Å; M862-L1007 HydrophobicContact CE-CB 3.53Å; M862-L1007 HydrophobicContact CE-CD1 4.29Å; M862-L1007 HydrophobicContact SD-CB 4.12Å; M862-L1007 HydrophobicContact SD-CD1 3.94Å; M862-L1010 HydrophobicContact CB-CD2 4.49Å; M862-L1010 HydrophobicContact SD-CB 4.08Å
863	D	68.5	Low	60	Low	107 Å²	107	64 Å²	64	57%	0.572	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.3	132.1	169.1	-64	-38.7	0	0	0	109.4	T861 S996	T861-D863 PolarHBondContact O-N 2.79Å; D863-S996 WeakPolarHBondContact OD1-CB 3.17Å
864	L	71.5	Confident	62.2	Low	13 Å²	13	60 Å²	60	7%	0.068	32%	0.318	C	S	.	.			trans	-72.8	132.1	176.2	-59.9	-178.2	0	0	0	108.2	M862 Y866 L868 A874 L994 T995 I997 L1010 M1012	M862-L864 PolarHBondContact O-N 3.05Å; L864-Y866 WeakPolarHBondContact CB-O 3.21Å; L864-Y866 PolarHBondContact O-N 2.91Å; L864-L868 HydrophobicContact CD1-CB 4.48Å; L864-A874 HydrophobicContact CD2-CB 4.47Å; L864-L994 HydrophobicContact CD1-CB 4.35Å; L864-L994 HydrophobicContact CD1-CD2 3.9Å; L864-L994 HydrophobicContact CD1-CG 3.85Å; L864-T995 WeakPolarHBondContact CB-O 3.29Å; L864-T995 PolarHBondContact N-O 2.9Å; L864-I997 HydrophobicContact CD2-CD1 3.98Å; L864-I997 HydrophobicContact CD2-CG1 4.2Å; L864-L1010 HydrophobicContact CD2-CD1 3.82Å; L864-L1010 HydrophobicContact CD2-CD2 3.72Å; L864-L1010 HydrophobicContact CD2-CG 4.4Å; L864-M1012 HydrophobicContact CB-SD 4.13Å; L864-M1012 HydrophobicContact CD2-SD 4.09Å
865	P	66.8	Low	64.6	Low	72 Å²	72	54.5 Å²	54.5	47%	0.468	29%	0.292	S	S	.	.	S	Bend	trans	-59.7	-22.8	-177.9	23.4	-35	0	0	0	113.3	M1012	P865-M1012 HydrophobicContact CG-SD 3.92Å
866	Y	66.8	Low	66.9	Low	123 Å²	123	52.8 Å²	52.8	48%	0.482	28%	0.28	S	S	.	.	S	Bend	trans	-144.1	148.7	168.6	-55.5	-79.5	0	0	0	109.1	L864	L864-Y866 WeakPolarHBondContact CB-O 3.21Å; L864-Y866 PolarHBondContact O-N 2.91Å
867	P	69.8	Low	68.8	Low	63 Å²	63	53.9 Å²	53.9	41%	0.409	28%	0.283	S	S	.	.			trans	-59.1	148.1	175.5	-22.1	32.7	0	0	0	112.6	T869 H993 L994 T995	P867-T869 PolarHBondContact O-N 3.15Å; P867-H993 HydrophobicContact CB-CB 3.72Å; P867-L994 WeakPolarHBondContact CA-O 3.37Å; P867-T995 HydrophobicContact CB-CG2 4.1Å; P867-T995 HydrophobicContact CG-CG2 4.16Å
868	L	75.9	Confident	70.9	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	25%	0.248	C	C	.	.			trans	-75.5	86.8	-177.2	-160.6	71.9	0	0	0	112	L864 R872 A874 F963 S965 H993 L994 M1012	L864-L868 HydrophobicContact CD1-CB 4.48Å; L868-R872 HydrophobicContact CD1-CB 3.71Å; L868-R872 HydrophobicContact CG-CB 4.29Å; L868-A874 HydrophobicContact CD1-CB 4.13Å; L868-F963 HydrophobicContact CD2-CB 3.96Å; L868-S965 PolarHBondContact O-OG 3.26Å; L868-H993 PolarHBondContact O-ND1 2.83Å; L868-L994 HydrophobicContact CB-CB 3.91Å; L868-L994 HydrophobicContact CD2-CB 4.47Å; L868-L994 HydrophobicContact CD2-CD2 4.27Å; L868-L994 PolarHBondContact N-O 2.82Å; L868-M1012 HydrophobicContact CD1-CE 3.84Å
869	T	73	Confident	73.3	Confident	66 Å²	66	42.2 Å²	42.2	41%	0.405	22%	0.222	S	C	.	.			trans	-71.9	162.5	177	55.6	0	0	0	0	112.8	P867 G871 R872 S965	P867-T869 PolarHBondContact O-N 3.15Å; T869-G871 PolarHBondContact O-N 2.94Å; T869-R872 VanDerWaalsContact O-CB 3.23Å; T869-R872 WeakPolarHBondContact O-CB 3.36Å; T869-R872 WeakPolarHBondContact O-CG 3.4Å; T869-R872 PolarHBondContact O-N 2.8Å; T869-R872 VanDerWaalsContact OG1-CG 3.23Å; T869-R872 WeakPolarHBondContact OG1-CG 3.38Å; T869-S965 WeakPolarHBondContact O-CB 3.44Å
870	I	74.5	Confident	75.1	Confident	50 Å²	50	36.4 Å²	36.4	26%	0.256	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	132.3	-173.9	-64.2	167.3	0	0	0	110.7	R872 L1020 L1022	I870-R872 VanDerWaalsContact C-N 3.26Å; I870-R872 PolarHBondContact O-N 2.81Å; I870-L1020 HydrophobicContact CG2-CD1 4.22Å; I870-L1022 HydrophobicContact CG2-CD2 3.95Å
871	G	73.5	Confident	76.3	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-13	-175.8	0	0	0	0	0	115.2	T869 S965 L1016 C1017 L1020	T869-G871 PolarHBondContact O-N 2.94Å; G871-S965 WeakPolarHBondContact CA-O 3.2Å; G871-S965 PolarHBondContact N-O 3.2Å; G871-L1016 CarbonylContact O-C 3.54Å; G871-L1016 VanDerWaalsContact O-CA 3.31Å; G871-L1016 WeakPolarHBondContact O-CA 3.16Å; G871-C1017 PolarHBondContact O-N 2.89Å; G871-L1020 VanDerWaalsContact CA-CD1 3.41Å
872	R	81.7	Confident	76.9	Confident	59 Å²	59	41.5 Å²	41.5	22%	0.223	20%	0.202	C	C	.	.			trans	-74.7	154.6	175.1	-61.2	-71.3	168.7	-172.4	-11.4	111	L868 T869 I870 S965 R1014 L1016 L1148	L868-R872 HydrophobicContact CD1-CB 3.71Å; L868-R872 HydrophobicContact CG-CB 4.29Å; T869-R872 VanDerWaalsContact O-CB 3.23Å; T869-R872 WeakPolarHBondContact O-CB 3.36Å; T869-R872 WeakPolarHBondContact O-CG 3.4Å; T869-R872 PolarHBondContact O-N 2.8Å; T869-R872 VanDerWaalsContact OG1-CG 3.23Å; T869-R872 WeakPolarHBondContact OG1-CG 3.38Å; I870-R872 VanDerWaalsContact C-N 3.26Å; I870-R872 PolarHBondContact O-N 2.81Å; R872-S965 PolarHBondContact O-N 2.81Å; R872-R1014 VanDerWaalsContact NH1-C 3.27Å; R872-R1014 PolarHBondContact NH1-O 3.02Å; R872-L1016 HydrophobicContact CG-CD2 4.23Å; R872-L1148 PolarHBondContact NH2-O 2.97Å
873	S	84.2	Confident	76.7	Confident	4 Å²	4	45 Å²	45	3%	0.028	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	156.6	166.6	55.4	0	0	0	0	112.4	F963 P1013 C1017	S873-F963 CarbonylContact C-O 3.6Å; S873-F963 WeakPolarHBondContact CA-O 3.33Å; S873-F963 WeakPolarHBondContact CB-O 3.36Å; S873-P1013 WeakPolarHBondContact O-CD 3.33Å; S873-P1013 WeakPolarHBondContact OG-CG 3.38Å; S873-C1017 PolarHBondContact OG-SG 2.86Å
874	A	83.7	Confident	76.4	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	137.1	168	0	0	0	0	0	107.9	L864 L868 K962 F963 L1010 M1012	L864-A874 HydrophobicContact CD2-CB 4.47Å; L868-A874 HydrophobicContact CD1-CB 4.13Å; A874-K962 CarbonylContact O-C 3.55Å; A874-K962 WeakPolarHBondContact O-CA 3.21Å; A874-F963 HydrophobicContact CB-CB 4.44Å; A874-F963 PolarHBondContact N-O 3.12Å; A874-F963 PolarHBondContact O-N 2.94Å; A874-L1010 HydrophobicContact CB-CD1 4.36Å; A874-M1012 HydrophobicContact CB-CG 3.9Å
875	L	84.8	Confident	75.8	Confident	22 Å²	22	47.2 Å²	47.2	12%	0.115	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	115.3	-178.4	-179.7	62.3	0	0	0	108.3	Y877 L961 K962 F1011	L875-Y877 HydrophobicContact CD2-CE2 3.58Å; L875-Y877 WeakPolarHBondContact CD2-OH 3.37Å; L875-Y877 HydrophobicContact CG-CD2 4.24Å; L875-Y877 HydrophobicContact CG-CE2 3.69Å; L875-L961 WeakPolarHBondContact CA-O 3.4Å; L875-K962 HydrophobicContact CD1-CB 3.81Å; L875-K962 HydrophobicContact CD1-CG 4.26Å; L875-F1011 HydrophobicContact CB-CB 4.43Å; L875-F1011 HydrophobicContact CB-CD1 4.4Å; L875-F1011 HydrophobicContact CD2-CD1 4.36Å; L875-F1011 PolarHBondContact N-O 2.97Å; L875-F1011 PolarHBondContact O-N 2.92Å
876	V	86.2	Confident	75.8	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.6	177.4	177.2	0	0	0	0	108.4	T960 L961 F963 I997 L1007 K1009 L1010	V876-T960 CarbonylContact O-C 3.46Å; V876-T960 WeakPolarHBondContact O-CA 3.47Å; V876-L961 HydrophobicContact CB-CB 4.33Å; V876-L961 PolarHBondContact N-O 3.4Å; V876-L961 PolarHBondContact O-N 2.86Å; V876-F963 HydrophobicContact CB-CE2 4.34Å; V876-F963 HydrophobicContact CG2-CD2 4.41Å; V876-F963 HydrophobicContact CG2-CE2 3.9Å; V876-I997 HydrophobicContact CG2-CD1 3.65Å; V876-I997 HydrophobicContact CG2-CG2 4.43Å; V876-L1007 HydrophobicContact CG1-CD1 4.37Å; V876-L1007 HydrophobicContact CG1-CD2 3.82Å; V876-K1009 WeakPolarHBondContact CA-O 3.3Å; V876-L1010 HydrophobicContact CG2-CD1 3.81Å
877	Y	83.8	Confident	76.1	Confident	53 Å²	53	48.3 Å²	48.3	21%	0.208	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	142.5	170.7	-67.8	-91.7	0	0	0	109	D674 L875 T960 L1007 D1008 K1009	D674-Y877 PolarHBondContact OD1-OH 2.93Å; D674-Y877 PolarHBondContact OD2-OH 3.48Å; L875-Y877 HydrophobicContact CD2-CE2 3.58Å; L875-Y877 WeakPolarHBondContact CD2-OH 3.37Å; L875-Y877 HydrophobicContact CG-CD2 4.24Å; L875-Y877 HydrophobicContact CG-CE2 3.69Å; Y877-T960 HydrophobicContact CD1-CG2 3.69Å; Y877-T960 HydrophobicContact CE1-CG2 3.67Å; Y877-L1007 CarbonylContact O-C 3.59Å; Y877-D1008 PolarHBondContact O-N 2.87Å; Y877-K1009 HydrophobicContact CD2-CB 3.98Å; Y877-K1009 HydrophobicContact CG-CB 4.43Å; Y877-K1009 PolarHBondContact N-O 2.88Å; Y877-K1009 PolarHBondContact O-N 2.77Å
878	G	84.5	Confident	76.3	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	179.7	170.9	0	0	0	0	0	111.9	N958 F959 E1006 D1008	G878-N958 CarbonylContact O-C 3.55Å; G878-N958 WeakPolarHBondContact O-CA 3.26Å; G878-F959 PolarHBondContact N-O 2.71Å; G878-F959 PolarHBondContact O-N 2.9Å; G878-E1006 CarbonylContact C-O 3.55Å; G878-E1006 WeakPolarHBondContact CA-O 3.45Å; G878-D1008 VanDerWaalsContact CA-OD2 3.23Å; G878-D1008 WeakPolarHBondContact CA-OD2 3.28Å
879	H	85.1	Confident	76.6	Confident	17 Å²	17	47.6 Å²	47.6	8%	0.079	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	153.1	175.7	66.3	-90.8	0	0	0	111.9	Q956 V957 N958 A1005 E1006 D1008	H879-Q956 HydrophobicContact CB-CB 4.34Å; H879-Q956 PolarHBondContact CD2-NE2 2.86Å; H879-Q956 PolarHBondContact NE2-NE2 3.33Å; H879-V957 CarbonylContact C-O 3.24Å; H879-V957 WeakPolarHBondContact CA-O 3.38Å; H879-N958 WeakPolarHBondContact CB-OD1 3.37Å; H879-A1005 CarbonylContact O-C 3.54Å; H879-A1005 VanDerWaalsContact O-CA 3.23Å; H879-A1005 WeakPolarHBondContact O-CA 3.18Å; H879-A1005 WeakPolarHBondContact O-CB 3.02Å; H879-E1006 PolarHBondContact N-O 2.9Å; H879-E1006 PolarHBondContact O-N 2.89Å; H879-D1008 IonicContact CE1-OD1 2.85Å; H879-D1008 PolarHBondContact CE1-OD1 3.32Å; H879-D1008 VanDerWaalsContact CE1-OD1 3.28Å; H879-D1008 IonicContact CE1-OD2 3.27Å; H879-D1008 IonicContact CG-OD2 2.83Å; H879-D1008 PolarHBondContact N-OD2 2.88Å; H879-D1008 VanDerWaalsContact ND1-CG 3.28Å; H879-D1008 IonicContact ND1-OD1 3Å; H879-D1008 PolarHBondContact ND1-OD1 2.98Å; H879-D1008 IonicContact ND1-OD2 2.84Å; H879-D1008 PolarHBondContact ND1-OD2 2.91Å
880	F	83.5	Confident	77	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.009	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	131	169.3	-69.6	-86.1	0	0	0	110.2	Y882 Q888 C890 L913 V957 F959 N1004 A1005	F880-Y882 VanDerWaalsContact C-N 3.31Å; F880-Y882 PolarHBondContact O-N 2.84Å; F880-Q888 HydrophobicContact CD1-CB 3.96Å; F880-Q888 HydrophobicContact CE1-CB 4.26Å; F880-C890 HydrophobicContact CE1-CB 4.26Å; F880-L913 HydrophobicContact CE2-CD2 4.37Å; F880-L913 HydrophobicContact CZ-CD2 4.36Å; F880-L913 HydrophobicContact CZ-CG 4.37Å; F880-V957 HydrophobicContact CB-CB 4.33Å; F880-V957 HydrophobicContact CD2-CB 4.18Å; F880-V957 HydrophobicContact CD2-CG1 4.06Å; F880-V957 PolarHBondContact N-O 3.18Å; F880-F959 AromaticContact CD2-CD1 3.99Å; F880-F959 HydrophobicContact CD2-CD1 3.99Å; F880-F959 HydrophobicContact CD2-CE1 4.32Å; F880-F959 AromaticContact CE2-CD1 3.72Å; F880-F959 HydrophobicContact CE2-CD1 3.72Å; F880-F959 HydrophobicContact CE2-CE1 4.11Å; F880-F959 HydrophobicContact CZ-CD1 4.46Å; F880-N1004 CarbonylContact C-O 3.56Å; F880-N1004 WeakPolarHBondContact CA-O 3.3Å; F880-A1005 HydrophobicContact CD1-CB 4.25Å; F880-A1005 HydrophobicContact CE1-CB 4.48Å
881	K	79.8	Confident	77.5	Confident	73 Å²	73	45.6 Å²	45.6	32%	0.317	24%	0.236	S	C	.	.	S	Bend	trans	-68.7	-28.7	-172.9	-74.5	179.5	171.9	177.6	0	113.2	S1002 N1004 A1005 E1006	K881-S1002 WeakPolarHBondContact CE-O 3.29Å; K881-S1002 PolarHBondContact NZ-O 3.12Å; K881-N1004 PolarHBondContact N-O 2.78Å; K881-A1005 WeakPolarHBondContact CE-O 3.33Å; K881-A1005 PolarHBondContact NZ-O 3.02Å; K881-E1006 WeakPolarHBondContact CE-OE2 3.23Å; K881-E1006 IonicContact NZ-OE2 2.68Å; K881-E1006 PolarHBondContact NZ-OE2 3.23Å
882	Y	70.5	Confident	78	Confident	134 Å²	134	45.6 Å²	45.6	53%	0.525	24%	0.236	S	C	.	.			trans	-115.5	120.8	179.9	-51.5	-80.3	0	0	0	110.5	F880 S884 Q888 T1003	F880-Y882 VanDerWaalsContact C-N 3.31Å; F880-Y882 PolarHBondContact O-N 2.84Å; Y882-S884 VanDerWaalsContact C-N 3.3Å; Y882-S884 PolarHBondContact O-N 2.86Å; Y882-Q888 PolarHBondContact O-OE1 3.43Å; Y882-T1003 VanDerWaalsContact CE2-O 3.29Å; Y882-T1003 WeakPolarHBondContact CE2-O 3.43Å
883	N	63.6	Low	78.1	Confident	83 Å²	83	45.8 Å²	45.8	44%	0.444	24%	0.237	S	C	.	.			trans	-75.3	88.9	162.3	-173	1.5	0	0	0	108.3	Q955	N883-Q955 PolarHBondContact ND2-O 2.81Å
884	S	62.2	Low	78	Confident	50 Å²	50	45.6 Å²	45.6	35%	0.35	24%	0.236	S	C	.	.			trans	-114.7	139.3	-178	-176.2	0	0	0	0	110.6	Y882 V886	Y882-S884 VanDerWaalsContact C-N 3.3Å; Y882-S884 PolarHBondContact O-N 2.86Å; S884-V886 PolarHBondContact O-N 3.31Å; S884-V886 PolarHBondContact OG-N 2.89Å; S884-V886 VanDerWaalsContact OG-N 3.14Å
885	A	58.5	Low	77.8	Confident	117 Å²	117	47.4 Å²	47.4	97%	0.967	24%	0.244	S	C	*	.	S	Bend	trans	-66.7	-11.4	169	0	0	0	0	0	113
886	V	67.1	Low	77.4	Confident	107 Å²	107	46.6 Å²	46.6	65%	0.648	24%	0.239	S	C	*	.	S	Bend	trans	-88.4	120	171.1	-176.6	0	0	0	0	108.9	S884 Q888	S884-V886 PolarHBondContact O-N 3.31Å; S884-V886 PolarHBondContact OG-N 2.89Å; S884-V886 VanDerWaalsContact OG-N 3.14Å; V886-Q888 VanDerWaalsContact O-CG 3.3Å; V886-Q888 WeakPolarHBondContact O-CG 3.4Å; V886-Q888 PolarHBondContact O-N 3.5Å
887	R	72	Confident	76.7	Confident	111 Å²	111	52.1 Å²	52.1	42%	0.419	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-49	121	175.6	-168.1	-162.9	-170	-168.3	13.9	111	W914 D916	R887-W914 VanDerWaalsContact CD-CE3 3.48Å; R887-W914 HydrophobicContact CG-CE3 3.84Å; R887-W914 HydrophobicContact CG-CZ3 4.47Å; R887-D916 HydrophobicContact CG-CB 4.48Å; R887-D916 IonicContact CZ-OD1 3.54Å; R887-D916 VanDerWaalsContact CZ-OD1 3.27Å; R887-D916 IonicContact CZ-OD2 2.65Å; R887-D916 VanDerWaalsContact CZ-OD2 3.22Å; R887-D916 IonicContact NE-OD1 2.89Å; R887-D916 PolarHBondContact NE-OD1 3Å; R887-D916 IonicContact NE-OD2 2.93Å; R887-D916 PolarHBondContact NE-OD2 2.76Å; R887-D916 VanDerWaalsContact NH2-CG 3.26Å; R887-D916 IonicContact NH2-OD1 3.18Å; R887-D916 PolarHBondContact NH2-OD1 2.87Å; R887-D916 IonicContact NH2-OD2 3.39Å; R887-D916 PolarHBondContact NH2-OD2 3.28Å
888	Q	75.4	Confident	75.8	Confident	28 Å²	28	50.7 Å²	50.7	13%	0.131	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-101.2	161.5	179.5	-52.4	-154	-46.4	0	0	111	F880 Y882 V886 W914 S915	F880-Q888 HydrophobicContact CD1-CB 3.96Å; F880-Q888 HydrophobicContact CE1-CB 4.26Å; Y882-Q888 PolarHBondContact O-OE1 3.43Å; V886-Q888 VanDerWaalsContact O-CG 3.3Å; V886-Q888 WeakPolarHBondContact O-CG 3.4Å; V886-Q888 PolarHBondContact O-N 3.5Å; Q888-W914 CarbonylContact O-C 3.53Å; Q888-W914 VanDerWaalsContact O-CA 3.27Å; Q888-W914 WeakPolarHBondContact O-CA 3.5Å; Q888-S915 PolarHBondContact N-OG 3Å; Q888-S915 PolarHBondContact O-N 3.21Å
889	S	81.9	Confident	74.5	Confident	21 Å²	21	53.5 Å²	53.5	15%	0.147	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	149.2	167	67.1	0	0	0	0	112.3	Q912 L913 N1004	S889-Q912 PolarHBondContact OG-NE2 3.09Å; S889-L913 CarbonylContact C-O 3.42Å; S889-L913 WeakPolarHBondContact CA-O 3.38Å; S889-L913 WeakPolarHBondContact CB-O 3.48Å; S889-N1004 PolarHBondContact O-ND2 3.08Å
890	C	81.9	Confident	72.9	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.014	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	153	165.8	63.2	0	0	0	0	110.1	F880 L913 L999 A1005	F880-C890 HydrophobicContact CE1-CB 4.26Å; C890-L913 PolarHBondContact N-O 3.07Å; C890-L913 PolarHBondContact O-N 3.07Å; C890-L999 HydrophobicContact CB-CD1 3.97Å; C890-A1005 HydrophobicContact CB-CB 3.64Å
891	F	82.9	Confident	71	Confident	72 Å²	72	67.9 Å²	67.9	32%	0.316	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.7	176.4	-70.1	-85.2	0	0	0	109.7	L911 Q912 L922 E1000	F891-L911 CarbonylContact C-O 3.53Å; F891-L911 VanDerWaalsContact CA-O 3.32Å; F891-L911 WeakPolarHBondContact CA-O 3.45Å; F891-Q912 HydrophobicContact CD1-CB 3.85Å; F891-Q912 HydrophobicContact CD1-CG 4Å; F891-Q912 HydrophobicContact CE1-CB 3.63Å; F891-Q912 HydrophobicContact CE1-CG 3.55Å; F891-Q912 HydrophobicContact CE2-CG 4.46Å; F891-Q912 HydrophobicContact CZ-CB 4.4Å; F891-Q912 HydrophobicContact CZ-CG 3.82Å; F891-L922 HydrophobicContact CE1-CD1 4Å; F891-E1000 HydrophobicContact CB-CB 3.94Å; F891-E1000 PolarHBondContact O-N 3.24Å
892	I	85.3	Confident	69.2	Low	1 Å²	1	71.6 Å²	71.6	1%	0.005	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	107.7	176.7	-62.1	169.9	0	0	0	107.6	L894 Y910 L911 F959 L961 I997 K998 L999	I892-L894 HydrophobicContact CG2-CD2 4.05Å; I892-Y910 WeakPolarHBondContact O-CA 3.45Å; I892-L911 HydrophobicContact CB-CB 4.28Å; I892-L911 PolarHBondContact N-O 3.38Å; I892-L911 PolarHBondContact O-N 3.18Å; I892-F959 HydrophobicContact CD1-CE2 4.23Å; I892-L961 HydrophobicContact CD1-CD1 3.42Å; I892-L961 VanDerWaalsContact CD1-CD1 3.42Å; I892-I997 HydrophobicContact CG2-CG2 3.51Å; I892-K998 CarbonylContact C-O 3.52Å; I892-K998 WeakPolarHBondContact CA-O 3.49Å; I892-L999 HydrophobicContact CG1-CD1 3.85Å
893	R	83.3	Confident	68	Low	63 Å²	63	70.9 Å²	70.9	24%	0.238	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	130.5	174.1	173.1	178.4	173.4	150	-2.3	109.5	E895 T908 Y910 I997 K998 E1000	R893-E895 HydrophobicContact CG-CG 4.3Å; R893-E895 IonicContact CZ-OE1 3.91Å; R893-E895 IonicContact NE-OE1 2.79Å; R893-E895 PolarHBondContact NE-OE1 3.19Å; R893-E895 IonicContact NH2-OE1 2.68Å; R893-E895 PolarHBondContact NH2-OE1 2.8Å; R893-T908 HydrophobicContact CG-CG2 3.64Å; R893-Y910 HydrophobicContact CB-CD1 3.75Å; R893-Y910 HydrophobicContact CB-CE1 3.7Å; R893-Y910 HydrophobicContact CG-CD1 4.24Å; R893-Y910 HydrophobicContact CG-CE1 3.82Å; R893-I997 WeakPolarHBondContact O-CA 3.47Å; R893-K998 HydrophobicContact CB-CB 4.25Å; R893-K998 PolarHBondContact N-O 2.86Å; R893-K998 PolarHBondContact O-N 3.29Å; R893-E1000 HydrophobicContact CB-CG 3.77Å; R893-E1000 WeakPolarHBondContact CD-OE1 3.14Å; R893-E1000 IonicContact NH1-OE1 2.74Å
894	L	82.5	Confident	67.1	Low	0 Å²	0	73.9 Å²	73.9	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131	174.2	-55.4	-176.3	0	0	0	108.3	I892 F896 T908 L909 L911 F963 I972 L994 I997	I892-L894 HydrophobicContact CG2-CD2 4.05Å; L894-F896 HydrophobicContact CB-CD2 4.46Å; L894-F896 HydrophobicContact CB-CE2 3.73Å; L894-F896 HydrophobicContact CB-CZ 4.42Å; L894-F896 HydrophobicContact CD1-CE2 4.31Å; L894-F896 HydrophobicContact CD1-CZ 4.38Å; L894-T908 WeakPolarHBondContact O-CA 3.46Å; L894-L909 WeakPolarHBondContact CB-O 3.28Å; L894-L909 HydrophobicContact CD1-CD2 3.81Å; L894-L909 HydrophobicContact CG-CD2 4.49Å; L894-L909 PolarHBondContact N-O 2.9Å; L894-L909 PolarHBondContact O-N 3.29Å; L894-L911 HydrophobicContact CD1-CD1 4.12Å; L894-L911 HydrophobicContact CD1-CD2 4.12Å; L894-L911 HydrophobicContact CD1-CG 3.98Å; L894-L911 HydrophobicContact CG-CG 4.29Å; L894-F963 HydrophobicContact CD1-CD1 4.35Å; L894-F963 HydrophobicContact CD1-CE1 3.65Å; L894-F963 HydrophobicContact CD2-CE1 3.68Å; L894-F963 HydrophobicContact CD2-CZ 3.88Å; L894-F963 HydrophobicContact CG-CE1 4.33Å; L894-I972 HydrophobicContact CD1-CD1 3.98Å; L894-L994 HydrophobicContact CB-CD1 3.63Å; L894-L994 HydrophobicContact CD1-CD1 4.46Å; L894-L994 HydrophobicContact CD2-CD1 4.12Å; L894-L994 HydrophobicContact CG-CD1 4.28Å; L894-I997 HydrophobicContact CD2-CB 4.44Å; L894-I997 HydrophobicContact CD2-CG1 4.03Å; L894-I997 HydrophobicContact CD2-CG2 4.07Å
895	E	79.6	Confident	66.5	Low	38 Å²	38	77 Å²	77	18%	0.178	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.9	176.7	-56.7	-174.8	144.9	0	0	110.6	R893 L994 T995 S996	R893-E895 HydrophobicContact CG-CG 4.3Å; R893-E895 IonicContact CZ-OE1 3.91Å; R893-E895 IonicContact NE-OE1 2.79Å; R893-E895 PolarHBondContact NE-OE1 3.19Å; R893-E895 IonicContact NH2-OE1 2.68Å; R893-E895 PolarHBondContact NH2-OE1 2.8Å; E895-L994 WeakPolarHBondContact O-CA 3.2Å; E895-T995 PolarHBondContact O-N 2.83Å; E895-T995 PolarHBondContact O-OG1 2.98Å; E895-S996 VanDerWaalsContact CB-OG 3.29Å; E895-S996 WeakPolarHBondContact CB-OG 3.21Å; E895-S996 VanDerWaalsContact CD-OG 3.24Å; E895-S996 VanDerWaalsContact CG-OG 3.23Å; E895-S996 WeakPolarHBondContact CG-OG 3.12Å; E895-S996 PolarHBondContact N-O 3.28Å; E895-S996 PolarHBondContact OE2-OG 3Å
896	F	75.8	Confident	66.4	Low	4 Å²	4	74.1 Å²	74.1	2%	0.018	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126	-179.2	-65.5	-98.2	0	0	0	110.1	L894 C906 E907 L909 F986 Y992 H993 L994	L894-F896 HydrophobicContact CB-CD2 4.46Å; L894-F896 HydrophobicContact CB-CE2 3.73Å; L894-F896 HydrophobicContact CB-CZ 4.42Å; L894-F896 HydrophobicContact CD1-CE2 4.31Å; L894-F896 HydrophobicContact CD1-CZ 4.38Å; F896-C906 WeakPolarHBondContact O-CA 3.37Å; F896-E907 PolarHBondContact N-O 3.13Å; F896-E907 PolarHBondContact O-N 2.88Å; F896-L909 HydrophobicContact CE2-CB 4.17Å; F896-F986 HydrophobicContact CD1-CE2 4.46Å; F896-F986 HydrophobicContact CD2-CZ 4.39Å; F896-F986 HydrophobicContact CG-CZ 4.24Å; F896-Y992 HydrophobicContact CB-CD1 4.19Å; F896-H993 WeakPolarHBondContact CA-O 3.35Å; F896-L994 HydrophobicContact CD1-CB 4.13Å; F896-L994 HydrophobicContact CD1-CD1 4.5Å; F896-L994 HydrophobicContact CD2-CD1 4.38Å; F896-L994 HydrophobicContact CE1-CB 3.88Å; F896-L994 HydrophobicContact CE1-CD1 4.1Å; F896-L994 HydrophobicContact CE2-CD1 3.96Å; F896-L994 HydrophobicContact CZ-CB 4.42Å; F896-L994 HydrophobicContact CZ-CD1 3.81Å
897	K	71.7	Confident	66.3	Low	118 Å²	118	71 Å²	71	51%	0.513	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	145.6	170.8	-62.3	-170.3	-174.2	-177.3	0	110.8	Y992 H993 T995	K897-Y992 WeakPolarHBondContact O-CA 3.43Å; K897-H993 PolarHBondContact N-O 3.42Å; K897-H993 PolarHBondContact O-N 2.81Å; K897-T995 HydrophobicContact CB-CG2 4.07Å; K897-T995 HydrophobicContact CD-CG2 4.06Å; K897-T995 HydrophobicContact CG-CG2 3.91Å
898	T	64.7	Low	66.2	Low	23 Å²	23	66.4 Å²	66.4	14%	0.141	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	163.1	169.1	54.1	0	0	0	0	111.3	Y900 E905 T990 N991 Y992	T898-Y900 VanDerWaalsContact C-N 3.32Å; T898-E905 HydrophobicContact CG2-CB 4.35Å; T898-T990 HydrophobicContact CG2-CG2 3.97Å; T898-N991 CarbonylContact C-O 3.56Å; T898-N991 WeakPolarHBondContact CA-O 3.5Å; T898-Y992 HydrophobicContact CG2-CD1 3.9Å; T898-Y992 HydrophobicContact CG2-CE1 3.36Å; T898-Y992 HydrophobicContact CG2-CE2 4.05Å; T898-Y992 HydrophobicContact CG2-CG 4.45Å; T898-Y992 VanDerWaalsContact CG2-CZ 3.43Å
899	S	56.5	Low	66.2	Low	59 Å²	59	65.4 Å²	65.4	41%	0.413	33%	0.328	S	S	.	.	S	Bend	trans	-90.4	18	173.7	74.8	0	0	0	0	114.2	N991	S899-N991 PolarHBondContact N-O 3.39Å; S899-N991 VanDerWaalsContact N-O 3.12Å
900	Y	51.5	Low	65.9	Low	124 Å²	124	66.5 Å²	66.5	49%	0.486	33%	0.329	S	S	.	.	S	Bend	trans	-111.8	151.7	-179.9	-76.8	-93.2	0	0	0	109.9	T898 E902 T990	T898-Y900 VanDerWaalsContact C-N 3.32Å; Y900-E902 PolarHBondContact O-N 3.37Å; Y900-E902 VanDerWaalsContact O-N 3.13Å; Y900-T990 HydrophobicContact CD2-CG2 3.65Å; Y900-T990 HydrophobicContact CE2-CG2 3.84Å
901	E	43.6	Very low	65.9	Low	198 Å²	198	66.4 Å²	66.4	93%	0.925	33%	0.329	S	S	*	.	S	Bend	trans	-74.7	0.6	-169.6	-59.3	-173	129.9	0	0	114.8	P903	E901-P903 VanDerWaalsContact O-CD 3.3Å; E901-P903 WeakPolarHBondContact O-CD 3.17Å
902	E	43.1	Very low	65.9	Low	151 Å²	151	64.2 Å²	64.2	71%	0.706	32%	0.319	S	S	*	.			trans	-71.4	111.5	173.4	-67.3	-165.4	176.8	0	0	110.4	Y900 N904	Y900-E902 PolarHBondContact O-N 3.37Å; Y900-E902 VanDerWaalsContact O-N 3.13Å; E902-N904 PolarHBondContact O-N 3.36Å
903	P	44.1	Very low	65.8	Low	119 Å²	119	64.3 Å²	64.3	77%	0.773	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	8.5	-157.4	30.7	-37.5	0	0	0	115.5	E901	E901-P903 VanDerWaalsContact O-CD 3.3Å; E901-P903 WeakPolarHBondContact O-CD 3.17Å
904	N	44.7	Very low	65.6	Low	146 Å²	146	63.7 Å²	63.7	78%	0.781	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.1	-13.9	-161.2	-68.8	-38.9	0	0	0	116.1	E902 C906	E902-N904 PolarHBondContact O-N 3.36Å; N904-C906 PolarHBondContact O-N 2.84Å; N904-C906 VanDerWaalsContact O-N 3.1Å
905	E	51.1	Low	65.3	Low	114 Å²	114	65 Å²	65	53%	0.533	33%	0.327	S	S	.	.			trans	-85	81.2	177.1	-70.1	-149.6	152.3	0	0	112.4	T898	T898-E905 HydrophobicContact CG2-CB 4.35Å
906	C	55.2	Low	64.9	Low	57 Å²	57	65.5 Å²	65.5	39%	0.385	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	109.9	165.4	-173.2	0	0	0	0	110	F896 N904	F896-C906 WeakPolarHBondContact O-CA 3.37Å; N904-C906 PolarHBondContact O-N 2.84Å; N904-C906 VanDerWaalsContact O-N 3.1Å
907	E	66.6	Low	64.4	Low	43 Å²	43	65.7 Å²	65.7	20%	0.201	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	130.1	171.9	-79.5	-140.6	-144.2	0	0	110.5	F896 K923 F986 Y992	F896-E907 PolarHBondContact N-O 3.13Å; F896-E907 PolarHBondContact O-N 2.88Å; E907-K923 IonicContact OE1-NZ 3.91Å; E907-K923 PolarHBondContact OE1-NZ 3.39Å; E907-K923 WeakPolarHBondContact OE2-CE 3.28Å; E907-K923 IonicContact OE2-NZ 3.06Å; E907-K923 PolarHBondContact OE2-NZ 3.29Å; E907-F986 HydrophobicContact CB-CD1 4.43Å; E907-F986 HydrophobicContact CB-CE1 3.87Å; E907-F986 VanDerWaalsContact CD-CD1 3.44Å; E907-F986 HydrophobicContact CG-CD1 4.31Å; E907-F986 HydrophobicContact CG-CE1 4.21Å; E907-F986 WeakPolarHBondContact OE1-CD1 3.47Å; E907-F986 WeakPolarHBondContact OE2-CE1 3.29Å; E907-Y992 HydrophobicContact CB-CE1 4.36Å; E907-Y992 HydrophobicContact CG-CE1 4.11Å
908	T	69.3	Low	64.2	Low	13 Å²	13	60.9 Å²	60.9	8%	0.08	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	135.8	-178	-57.7	0	0	0	0	110.9	R893 L894 Y910 S924	R893-T908 HydrophobicContact CG-CG2 3.64Å; L894-T908 WeakPolarHBondContact O-CA 3.46Å; T908-Y910 HydrophobicContact CG2-CD2 4.36Å; T908-Y910 HydrophobicContact CG2-CE1 4.47Å; T908-Y910 HydrophobicContact CG2-CE2 3.73Å; T908-S924 WeakPolarHBondContact CB-OG 3.46Å; T908-S924 WeakPolarHBondContact O-CB 3.41Å; T908-S924 PolarHBondContact O-N 2.8Å; T908-S924 PolarHBondContact O-OG 2.69Å; T908-S924 VanDerWaalsContact O-OG 3.04Å
909	L	75.3	Confident	64.6	Low	8 Å²	8	61.7 Å²	61.7	4%	0.042	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.9	-179.4	-177.2	143.7	0	0	0	109.2	L894 F896 L911 V921 L982	L894-L909 WeakPolarHBondContact CB-O 3.28Å; L894-L909 HydrophobicContact CD1-CD2 3.81Å; L894-L909 HydrophobicContact CG-CD2 4.49Å; L894-L909 PolarHBondContact N-O 2.9Å; L894-L909 PolarHBondContact O-N 3.29Å; F896-L909 HydrophobicContact CE2-CB 4.17Å; L909-L911 HydrophobicContact CD2-CD2 3.71Å; L909-V921 HydrophobicContact CD1-CG1 3.76Å; L909-V921 HydrophobicContact CD2-CG1 3.76Å; L909-V921 HydrophobicContact CG-CG1 3.77Å; L909-L982 HydrophobicContact CD1-CD1 3.98Å; L909-L982 HydrophobicContact CD1-CD2 4.23Å; L909-L982 HydrophobicContact CD2-CD1 4.05Å
910	Y	75.8	Confident	65.3	Low	43 Å²	43	61.5 Å²	61.5	17%	0.169	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	124.4	-179.9	-58.7	-96.4	0	0	0	109.4	I892 R893 T908 V921 L922 E1000	I892-Y910 WeakPolarHBondContact O-CA 3.45Å; R893-Y910 HydrophobicContact CB-CD1 3.75Å; R893-Y910 HydrophobicContact CB-CE1 3.7Å; R893-Y910 HydrophobicContact CG-CD1 4.24Å; R893-Y910 HydrophobicContact CG-CE1 3.82Å; T908-Y910 HydrophobicContact CG2-CD2 4.36Å; T908-Y910 HydrophobicContact CG2-CE1 4.47Å; T908-Y910 HydrophobicContact CG2-CE2 3.73Å; Y910-V921 WeakPolarHBondContact O-CA 3.25Å; Y910-L922 PolarHBondContact N-O 2.82Å; Y910-L922 PolarHBondContact O-N 3.4Å; Y910-E1000 HydrophobicContact CD1-CG 4.3Å; Y910-E1000 HydrophobicContact CE1-CG 4.04Å
911	L	81.2	Confident	66.1	Low	0 Å²	0	57 Å²	57	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	136.4	163.6	-51.3	-177.8	0	0	0	108.4	F891 I892 L894 L909 L919 N920 V921 L961 F963 I972	F891-L911 CarbonylContact C-O 3.53Å; F891-L911 VanDerWaalsContact CA-O 3.32Å; F891-L911 WeakPolarHBondContact CA-O 3.45Å; I892-L911 HydrophobicContact CB-CB 4.28Å; I892-L911 PolarHBondContact N-O 3.38Å; I892-L911 PolarHBondContact O-N 3.18Å; L894-L911 HydrophobicContact CD1-CD1 4.12Å; L894-L911 HydrophobicContact CD1-CD2 4.12Å; L894-L911 HydrophobicContact CD1-CG 3.98Å; L894-L911 HydrophobicContact CG-CG 4.29Å; L909-L911 HydrophobicContact CD2-CD2 3.71Å; L911-L919 HydrophobicContact CB-CD1 4.04Å; L911-L919 HydrophobicContact CD1-CD1 4.48Å; L911-N920 WeakPolarHBondContact CA-O 3.27Å; L911-V921 HydrophobicContact CD2-CG2 3.62Å; L911-L961 HydrophobicContact CD1-CD1 4.47Å; L911-F963 HydrophobicContact CD1-CE1 3.99Å; L911-F963 HydrophobicContact CD1-CZ 4Å; L911-I972 HydrophobicContact CD1-CD1 4.2Å; L911-I972 HydrophobicContact CD1-CG2 4.27Å; L911-I972 HydrophobicContact CD2-CD1 3.79Å
912	Q	82.8	Confident	67.2	Low	26 Å²	26	50.4 Å²	50.4	12%	0.121	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	106.4	162.8	-172.9	-173.1	24.3	0	0	107.8	S889 F891 W914 L919 N920	S889-Q912 PolarHBondContact OG-NE2 3.09Å; F891-Q912 HydrophobicContact CD1-CB 3.85Å; F891-Q912 HydrophobicContact CD1-CG 4Å; F891-Q912 HydrophobicContact CE1-CB 3.63Å; F891-Q912 HydrophobicContact CE1-CG 3.55Å; F891-Q912 HydrophobicContact CE2-CG 4.46Å; F891-Q912 HydrophobicContact CZ-CB 4.4Å; F891-Q912 HydrophobicContact CZ-CG 3.82Å; Q912-W914 VanDerWaalsContact CD-CZ2 3.46Å; Q912-W914 HydrophobicContact CG-CZ2 4.45Å; Q912-L919 WeakPolarHBondContact O-CA 3.45Å; Q912-N920 HydrophobicContact CB-CB 4.13Å; Q912-N920 PolarHBondContact N-O 3.32Å; Q912-N920 PolarHBondContact O-N 3.16Å; Q912-N920 PolarHBondContact OE1-ND2 2.81Å
913	L	83.2	Confident	68.1	Low	3 Å²	3	45.1 Å²	45.1	2%	0.016	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	137.8	175.5	-174.5	73.6	0	0	0	109.3	F880 S889 C890 L919 F959 L961	F880-L913 HydrophobicContact CE2-CD2 4.37Å; F880-L913 HydrophobicContact CZ-CD2 4.36Å; F880-L913 HydrophobicContact CZ-CG 4.37Å; S889-L913 CarbonylContact C-O 3.42Å; S889-L913 WeakPolarHBondContact CA-O 3.38Å; S889-L913 WeakPolarHBondContact CB-O 3.48Å; C890-L913 PolarHBondContact N-O 3.07Å; C890-L913 PolarHBondContact O-N 3.07Å; L913-L919 HydrophobicContact CB-CD1 4.49Å; L913-L919 HydrophobicContact CD1-CD1 4.11Å; L913-F959 HydrophobicContact CD2-CB 3.65Å; L913-F959 HydrophobicContact CD2-CD1 3.67Å; L913-F959 HydrophobicContact CD2-CD2 3.42Å; L913-F959 VanDerWaalsContact CD2-CD2 3.42Å; L913-F959 HydrophobicContact CD2-CE1 4.09Å; L913-F959 HydrophobicContact CD2-CE2 3.87Å; L913-F959 HydrophobicContact CD2-CG 3.3Å; L913-F959 HydrophobicContact CD2-CZ 4.18Å; L913-L961 HydrophobicContact CD1-CD2 4.48Å; L913-L961 HydrophobicContact CD2-CD1 4.39Å
914	W	80.1	Confident	68.3	Low	50 Å²	50	41.9 Å²	41.9	19%	0.189	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	151	179.8	-61.9	83	0	0	0	111.9	R887 Q888 Q912 D916 G917 G918 N920	R887-W914 VanDerWaalsContact CD-CE3 3.48Å; R887-W914 HydrophobicContact CG-CE3 3.84Å; R887-W914 HydrophobicContact CG-CZ3 4.47Å; Q888-W914 CarbonylContact O-C 3.53Å; Q888-W914 VanDerWaalsContact O-CA 3.27Å; Q888-W914 WeakPolarHBondContact O-CA 3.5Å; Q912-W914 VanDerWaalsContact CD-CZ2 3.46Å; Q912-W914 HydrophobicContact CG-CZ2 4.45Å; W914-D916 WeakPolarHBondContact CB-OD1 3.26Å; W914-D916 PolarHBondContact O-N 3.32Å; W914-D916 VanDerWaalsContact O-N 3.14Å; W914-G917 PolarHBondContact O-N 2.82Å; W914-G918 PolarHBondContact N-O 3.21Å; W914-N920 PolarHBondContact NE1-ND2 3.21Å
915	S	76	Confident	68.2	Low	28 Å²	28	40.4 Å²	40.4	20%	0.196	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-7.1	-178.9	70.1	0	0	0	0	114.7	Q888	Q888-S915 PolarHBondContact N-OG 3Å; Q888-S915 PolarHBondContact O-N 3.21Å
916	D	70.1	Confident	67.2	Low	49 Å²	49	39.2 Å²	39.2	26%	0.262	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	14.2	170.6	72	-30.3	0	0	0	112.8	R887 W914 G918 L944	R887-D916 HydrophobicContact CG-CB 4.48Å; R887-D916 IonicContact CZ-OD1 3.54Å; R887-D916 VanDerWaalsContact CZ-OD1 3.27Å; R887-D916 IonicContact CZ-OD2 2.65Å; R887-D916 VanDerWaalsContact CZ-OD2 3.22Å; R887-D916 IonicContact NE-OD1 2.89Å; R887-D916 PolarHBondContact NE-OD1 3Å; R887-D916 IonicContact NE-OD2 2.93Å; R887-D916 PolarHBondContact NE-OD2 2.76Å; R887-D916 VanDerWaalsContact NH2-CG 3.26Å; R887-D916 IonicContact NH2-OD1 3.18Å; R887-D916 PolarHBondContact NH2-OD1 2.87Å; R887-D916 IonicContact NH2-OD2 3.39Å; R887-D916 PolarHBondContact NH2-OD2 3.28Å; W914-D916 WeakPolarHBondContact CB-OD1 3.26Å; W914-D916 PolarHBondContact O-N 3.32Å; W914-D916 VanDerWaalsContact O-N 3.14Å; D916-G918 VanDerWaalsContact C-N 3.3Å; D916-G918 PolarHBondContact O-N 2.98Å; D916-G918 PolarHBondContact OD1-N 3.4Å; D916-L944 WeakPolarHBondContact O-CD1 3.43Å
917	G	66.2	Low	65.8	Low	8 Å²	8	44.7 Å²	44.7	8%	0.082	24%	0.24	C	C	.	.	S	Bend	trans	82.4	-2.2	-178.1	0	0	0	0	0	115	W914 F978	W914-G917 PolarHBondContact O-N 2.82Å; G917-F978 WeakPolarHBondContact O-CE2 3.35Å
918	G	67	Low	64.1	Low	16 Å²	16	50 Å²	50	17%	0.165	27%	0.27	C	S	.	.			trans	-63	145.7	175.1	0	0	0	0	0	112.9	W914 D916	W914-G918 PolarHBondContact N-O 3.21Å; D916-G918 VanDerWaalsContact C-N 3.3Å; D916-G918 PolarHBondContact O-N 2.98Å; D916-G918 PolarHBondContact OD1-N 3.4Å
919	L	74.3	Confident	62.1	Low	40 Å²	40	52 Å²	52	21%	0.209	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	115.2	178.6	-178.9	67	0	0	0	110.5	L911 Q912 L913 I972 L980	L911-L919 HydrophobicContact CB-CD1 4.04Å; L911-L919 HydrophobicContact CD1-CD1 4.48Å; Q912-L919 WeakPolarHBondContact O-CA 3.45Å; L913-L919 HydrophobicContact CB-CD1 4.49Å; L913-L919 HydrophobicContact CD1-CD1 4.11Å; L919-I972 HydrophobicContact CD2-CG2 4.47Å; L919-L980 HydrophobicContact CD2-CB 4.47Å
920	N	69.6	Low	59.9	Low	55 Å²	55	61.1 Å²	61.1	29%	0.294	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	160.9	170.4	-51.6	-35	0	0	0	110.6	L911 Q912 W914	L911-N920 WeakPolarHBondContact CA-O 3.27Å; Q912-N920 HydrophobicContact CB-CB 4.13Å; Q912-N920 PolarHBondContact N-O 3.32Å; Q912-N920 PolarHBondContact O-N 3.16Å; Q912-N920 PolarHBondContact OE1-ND2 2.81Å; W914-N920 PolarHBondContact NE1-ND2 3.21Å
921	V	69.3	Low	57.8	Low	31 Å²	31	64.5 Å²	64.5	19%	0.188	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	135.6	175	171.7	0	0	0	0	111.7	L909 Y910 L911 L980 L982	L909-V921 HydrophobicContact CD1-CG1 3.76Å; L909-V921 HydrophobicContact CD2-CG1 3.76Å; L909-V921 HydrophobicContact CG-CG1 3.77Å; Y910-V921 WeakPolarHBondContact O-CA 3.25Å; L911-V921 HydrophobicContact CD2-CG2 3.62Å; V921-L980 HydrophobicContact CG2-CD2 3.37Å; V921-L982 HydrophobicContact CG1-CD2 4.34Å
922	L	65.9	Low	55.4	Low	59 Å²	59	68.3 Å²	68.3	31%	0.309	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134.4	-179	-50.2	170.9	0	0	0	109.1	F891 Y910	F891-L922 HydrophobicContact CE1-CD1 4Å; Y910-L922 PolarHBondContact N-O 2.82Å; Y910-L922 PolarHBondContact O-N 3.4Å
923	K	62.1	Low	53.1	Low	40 Å²	40	72.1 Å²	72.1	17%	0.174	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	141.5	177.1	-176.8	169	175.1	151.1	0	109.8	E907 Q925 Y933 Q985	E907-K923 IonicContact OE1-NZ 3.91Å; E907-K923 PolarHBondContact OE1-NZ 3.39Å; E907-K923 WeakPolarHBondContact OE2-CE 3.28Å; E907-K923 IonicContact OE2-NZ 3.06Å; E907-K923 PolarHBondContact OE2-NZ 3.29Å; K923-Q925 HydrophobicContact CG-CB 4.35Å; K923-Q925 PolarHBondContact O-N 2.86Å; K923-Y933 HydrophobicContact CB-CD2 3.91Å; K923-Y933 HydrophobicContact CB-CE2 3.87Å; K923-Y933 HydrophobicContact CD-CE2 4.23Å; K923-Q985 PolarHBondContact NZ-O 3.42Å
924	S	49.4	Very low	50.4	Low	50 Å²	50	75.1 Å²	75.1	35%	0.35	41%	0.406	S	S	.	.			trans	-73.7	29	-175	72.8	0	0	0	0	115.6	T908 C926	T908-S924 WeakPolarHBondContact CB-OG 3.46Å; T908-S924 WeakPolarHBondContact O-CB 3.41Å; T908-S924 PolarHBondContact O-N 2.8Å; T908-S924 PolarHBondContact O-OG 2.69Å; T908-S924 VanDerWaalsContact O-OG 3.04Å; S924-C926 PolarHBondContact O-N 3.28Å
925	Q	41.5	Very low	48.1	Very low	115 Å²	115	76.6 Å²	76.6	54%	0.537	42%	0.421	S	S	.	.	S	Bend	trans	-83.5	86.2	-167.8	-159.2	157	4.9	0	0	111.3	K923 Y933	K923-Q925 HydrophobicContact CG-CB 4.35Å; K923-Q925 PolarHBondContact O-N 2.86Å; Q925-Y933 PolarHBondContact OE1-OH 2.9Å
926	C	29.7	Very low	45.8	Very low	90 Å²	90	80 Å²	80	61%	0.608	45%	0.445	S	S	*	.			trans	74.9	122.7	-178.3	-159.1	0	0	0	0	115.8	S924 N928	S924-C926 PolarHBondContact O-N 3.28Å; C926-N928 PolarHBondContact O-N 3.16Å
927	M	27.5	Very low	43.8	Very low	171 Å²	171	85.1 Å²	85.1	84%	0.842	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	12.3	-178.4	-82.2	-71.7	-160.8	0	0	115.6
928	N	29.5	Very low	42.1	Very low	155 Å²	155	88.4 Å²	88.4	83%	0.829	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.5	10.1	-175.5	-77.3	-46.2	0	0	0	114.2	C926	C926-N928 PolarHBondContact O-N 3.16Å
929	S	28.7	Very low	40.3	Very low	54 Å²	54	92 Å²	92	38%	0.378	50%	0.502	S	S	.	.			trans	-140.3	110.8	179.1	54.6	0	0	0	0	112	I931	S929-I931 PolarHBondContact O-N 3.26Å
930	E	29.1	Very low	38.2	Very low	200 Å²	200	96.8 Å²	96.8	94%	0.935	52%	0.524	S	S	*	.			trans	-68.3	76.7	166	-67.9	-172.4	143	0	0	110.1	P932	E930-P932 VanDerWaalsContact C-CD 3.43Å; E930-P932 WeakPolarHBondContact O-CD 3.36Å
931	I	31	Very low	36.3	Very low	114 Å²	114	101.5 Å²	101.5	59%	0.585	54%	0.543	S	S	*	.			trans	-99.9	87.3	167.4	-58.2	174.5	0	0	0	106.8	S929 Y933	S929-I931 PolarHBondContact O-N 3.26Å; I931-Y933 PolarHBondContact O-N 2.85Å
932	P	29.8	Very low	34.5	Very low	81 Å²	81	104.9 Å²	104.9	53%	0.526	56%	0.56	S	S	.	*			trans	-60.1	133.4	167.6	26.8	-33.3	0	0	0	107.8	E930 S934	E930-P932 VanDerWaalsContact C-CD 3.43Å; E930-P932 WeakPolarHBondContact O-CD 3.36Å; P932-S934 PolarHBondContact O-N 2.89Å
933	Y	34.6	Very low	32.7	Very low	105 Å²	105	106.8 Å²	106.8	41%	0.412	57%	0.574	S	S	.	*			trans	-75.2	61.1	171.4	-91	-87.8	0	0	0	111	K923 Q925 I931 T935	K923-Y933 HydrophobicContact CB-CD2 3.91Å; K923-Y933 HydrophobicContact CB-CE2 3.87Å; K923-Y933 HydrophobicContact CD-CE2 4.23Å; Q925-Y933 PolarHBondContact OE1-OH 2.9Å; I931-Y933 PolarHBondContact O-N 2.85Å; Y933-T935 HydrophobicContact CD1-CG2 4.4Å; Y933-T935 PolarHBondContact O-N 2.86Å
934	S	28.1	Very low	31.2	Very low	66 Å²	66	109 Å²	109	46%	0.462	59%	0.588	S	S	.	*			trans	-56.1	78.7	148.4	161	0	0	0	0	108.2	P932 S936 I939	P932-S934 PolarHBondContact O-N 2.89Å; S934-S936 PolarHBondContact O-N 2.86Å; S934-I939 WeakPolarHBondContact OG-CD1 3.48Å
935	T	30.6	Very low	30.3	Very low	82 Å²	82	113.7 Å²	113.7	50%	0.503	60%	0.602	S	S	.	*			trans	-68.1	92.2	160.2	44.4	0	0	0	0	106.5	Y933 N937 N938	Y933-T935 HydrophobicContact CD1-CG2 4.4Å; Y933-T935 PolarHBondContact O-N 2.86Å; T935-N937 PolarHBondContact O-N 3.39Å; T935-N938 PolarHBondContact O-N 2.92Å
936	S	28.3	Very low	29.9	Very low	98 Å²	98	115.3 Å²	115.3	69%	0.685	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	14.5	-163.6	44.5	0	0	0	0	115.7	S934	S934-S936 PolarHBondContact O-N 2.86Å
937	N	27.6	Very low	29.9	Very low	158 Å²	158	117.9 Å²	117.9	85%	0.845	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.6	0.5	171.7	-77.2	-24.5	0	0	0	114	T935	T935-N937 PolarHBondContact O-N 3.39Å
938	N	29.7	Very low	30	Very low	77 Å²	77	118.4 Å²	118.4	41%	0.412	62%	0.622	S	S	.	*			trans	-157.8	49.4	169.4	-124.6	-70.2	0	0	0	114	D623 T935 Q940	D623-N938 PolarHBondContact OD1-ND2 3.34Å; T935-N938 PolarHBondContact O-N 2.92Å; N938-Q940 VanDerWaalsContact C-N 3.34Å; N938-Q940 PolarHBondContact O-N 2.93Å
939	I	29.2	Very low	30.2	Very low	90 Å²	90	116.6 Å²	116.6	46%	0.462	62%	0.616	S	S	.	*			trans	-71	93.4	164.6	-50.5	175.4	0	0	0	108	S934 H941	S934-I939 WeakPolarHBondContact OG-CD1 3.48Å; I939-H941 HydrophobicContact CG2-CB 4.42Å; I939-H941 PolarHBondContact O-N 3.12Å
940	Q	31.9	Very low	30.4	Very low	142 Å²	142	118.6 Å²	118.6	66%	0.664	63%	0.629	S	S	*	*			trans	-74.5	70.5	167.8	-70.6	-163.2	7	0	0	110.6	N938 L942	N938-Q940 VanDerWaalsContact C-N 3.34Å; N938-Q940 PolarHBondContact O-N 2.93Å; Q940-L942 HydrophobicContact CB-CD1 3.85Å; Q940-L942 HydrophobicContact CG-CD1 4.13Å; Q940-L942 PolarHBondContact O-N 3.37Å
941	H	28.2	Very low	30.7	Very low	153 Å²	153	115.1 Å²	115.1	71%	0.708	62%	0.617	S	S	*	*			trans	-67.9	72.4	155.3	-88.9	-47.6	0	0	0	109	I939	I939-H941 HydrophobicContact CG2-CB 4.42Å; I939-H941 PolarHBondContact O-N 3.12Å
942	L	32.2	Very low	31	Very low	103 Å²	103	113.3 Å²	113.3	54%	0.539	61%	0.608	S	S	.	*			trans	-97.4	86.6	158.4	-78.8	90.8	0	0	0	107.7	Q940 L944	Q940-L942 HydrophobicContact CB-CD1 3.85Å; Q940-L942 HydrophobicContact CG-CD1 4.13Å; Q940-L942 PolarHBondContact O-N 3.37Å; L942-L944 PolarHBondContact O-N 2.82Å
943	T	29.1	Very low	31.5	Very low	99 Å²	99	116.3 Å²	116.3	61%	0.607	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-50	133.1	152.6	-8.3	0	0	0	0	107.9	K945	T943-K945 PolarHBondContact O-N 3.02Å; T943-K945 VanDerWaalsContact O-N 3.07Å
944	L	29.4	Very low	32.2	Very low	86 Å²	86	116.2 Å²	116.2	45%	0.45	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-53.9	117.8	163.3	-105.5	158.1	0	0	0	107.2	D916 L942 D946 F978	D916-L944 WeakPolarHBondContact O-CD1 3.43Å; L942-L944 PolarHBondContact O-N 2.82Å; L944-D946 PolarHBondContact O-N 2.89Å; L944-F978 HydrophobicContact CD1-CE2 4.3Å; L944-F978 HydrophobicContact CD1-CZ 3.85Å; L944-F978 HydrophobicContact CG-CZ 4.05Å
945	K	31.5	Very low	33.4	Very low	149 Å²	149	117.3 Å²	117.3	65%	0.648	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-66.5	127.6	180	-79.7	-169	172.7	-173.8	0	108.7	T943 N947	T943-K945 PolarHBondContact O-N 3.02Å; T943-K945 VanDerWaalsContact O-N 3.07Å; K945-N947 PolarHBondContact O-N 3.34Å
946	D	31.5	Very low	35	Very low	149 Å²	149	118.8 Å²	118.8	80%	0.797	62%	0.621	S	S	*	*	S	Bend	trans	-50.7	91.6	-170.8	-48.8	-93.8	0	0	0	113.1	L944	L944-D946 PolarHBondContact O-N 2.89Å
947	N	30.3	Very low	37.2	Very low	144 Å²	144	116.6 Å²	116.6	77%	0.77	60%	0.603	S	S	*	*	S	Bend	trans	-163.8	140.7	167.4	-87.8	-51	0	0	0	108.3	K945	K945-N947 PolarHBondContact O-N 3.34Å
948	E	30.1	Very low	39.7	Very low	182 Å²	182	113.2 Å²	113.2	85%	0.85	59%	0.585	S	S	*	*			trans	59.6	37.4	-177.6	-56.3	-162.1	170.7	0	0	116.5	C950	E948-C950 VanDerWaalsContact C-N 3.31Å; E948-C950 PolarHBondContact O-N 3.3Å
949	V	33.8	Very low	42.2	Very low	117 Å²	117	109.7 Å²	109.7	71%	0.709	57%	0.566	S	S	*	*			trans	-61.5	101.2	144.2	178.7	0	0	0	0	107.5	N951	V949-N951 VanDerWaalsContact C-N 3.3Å; V949-N951 WeakPolarHBondContact CG1-OD1 3.48Å; V949-N951 PolarHBondContact O-N 3.47Å
950	C	31.9	Very low	44.9	Very low	95 Å²	95	106.8 Å²	106.8	64%	0.642	55%	0.552	S	S	*	*			trans	-71.7	85.1	174.7	-78.7	0	0	0	0	110.4	E948 N952	E948-C950 VanDerWaalsContact C-N 3.31Å; E948-C950 PolarHBondContact O-N 3.3Å; C950-N952 PolarHBondContact O-N 3.47Å
951	N	35.2	Very low	47.5	Very low	127 Å²	127	100 Å²	100	68%	0.679	52%	0.521	S	S	*	.			trans	-67.2	68.7	166.6	-81	-3.6	0	0	0	111	V949	V949-N951 VanDerWaalsContact C-N 3.3Å; V949-N951 WeakPolarHBondContact CG1-OD1 3.48Å; V949-N951 PolarHBondContact O-N 3.47Å
952	N	37.3	Very low	50.3	Low	76 Å²	76	95.8 Å²	95.8	41%	0.406	50%	0.501	S	S	.	.			trans	-94.9	101.4	160.4	-74.9	-33.1	0	0	0	106.8	C950 K954 Q955	C950-N952 PolarHBondContact O-N 3.47Å; N952-K954 PolarHBondContact O-N 2.73Å; N952-Q955 HydrophobicContact CB-CG 4.17Å; N952-Q955 PolarHBondContact ND2-OE1 3.07Å; N952-Q955 PolarHBondContact O-N 2.74Å; N952-Q955 VanDerWaalsContact O-N 3.1Å
953	D	42	Very low	52.8	Low	144 Å²	144	91 Å²	91	77%	0.77	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	6.6	-165.7	-61.9	-47.8	0	0	0	117.6
954	K	47.6	Very low	55.3	Low	104 Å²	104	87.1 Å²	87.1	45%	0.452	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139	3.5	-175.7	-60.9	177.9	-173.2	167.2	0	114.3	N682 N683 N952	N682-K954 HydrophobicContact CB-CD 3.99Å; N683-K954 PolarHBondContact OD1-NZ 3.07Å; N952-K954 PolarHBondContact O-N 2.73Å
955	Q	55	Low	57.7	Low	88 Å²	88	83.3 Å²	83.3	41%	0.411	43%	0.431	S	S	.	.			trans	-91.2	137.5	176.8	-67.5	-173	-87	0	0	111.9	N883 N952	N883-Q955 PolarHBondContact ND2-O 2.81Å; N952-Q955 HydrophobicContact CB-CG 4.17Å; N952-Q955 PolarHBondContact ND2-OE1 3.07Å; N952-Q955 PolarHBondContact O-N 2.74Å; N952-Q955 VanDerWaalsContact O-N 3.1Å
956	Q	63.8	Low	59.8	Low	113 Å²	113	76.7 Å²	76.7	53%	0.528	40%	0.403	S	S	.	.			trans	-74	145.8	170	-67	166.2	-66.7	0	0	109.7	H879 N958	H879-Q956 HydrophobicContact CB-CB 4.34Å; H879-Q956 PolarHBondContact CD2-NE2 2.86Å; H879-Q956 PolarHBondContact NE2-NE2 3.33Å; Q956-N958 PolarHBondContact O-N 3.36Å; Q956-N958 PolarHBondContact O-OD1 2.77Å
957	V	73.7	Confident	61.5	Low	53 Å²	53	70.4 Å²	70.4	32%	0.321	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	99	175.9	-178.8	0	0	0	0	108.2	H879 F880	H879-V957 CarbonylContact C-O 3.24Å; H879-V957 WeakPolarHBondContact CA-O 3.38Å; F880-V957 HydrophobicContact CB-CB 4.33Å; F880-V957 HydrophobicContact CD2-CB 4.18Å; F880-V957 HydrophobicContact CD2-CG1 4.06Å; F880-V957 PolarHBondContact N-O 3.18Å
958	N	80.7	Confident	63.1	Low	86 Å²	86	67.6 Å²	67.6	46%	0.46	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	151.5	179.6	-63	2	0	0	0	111.1	G878 H879 Q956	G878-N958 CarbonylContact O-C 3.55Å; G878-N958 WeakPolarHBondContact O-CA 3.26Å; H879-N958 WeakPolarHBondContact CB-OD1 3.37Å; Q956-N958 PolarHBondContact O-N 3.36Å; Q956-N958 PolarHBondContact O-OD1 2.77Å
959	F	82.7	Confident	65	Low	4 Å²	4	62 Å²	62	2%	0.018	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	149.6	172.3	59.8	-97.5	0	0	0	112.5	G878 F880 I892 L913 L961 N975 A1005 L1007	G878-F959 PolarHBondContact N-O 2.71Å; G878-F959 PolarHBondContact O-N 2.9Å; F880-F959 AromaticContact CD2-CD1 3.99Å; F880-F959 HydrophobicContact CD2-CD1 3.99Å; F880-F959 HydrophobicContact CD2-CE1 4.32Å; F880-F959 AromaticContact CE2-CD1 3.72Å; F880-F959 HydrophobicContact CE2-CD1 3.72Å; F880-F959 HydrophobicContact CE2-CE1 4.11Å; F880-F959 HydrophobicContact CZ-CD1 4.46Å; I892-F959 HydrophobicContact CD1-CE2 4.23Å; L913-F959 HydrophobicContact CD2-CB 3.65Å; L913-F959 HydrophobicContact CD2-CD1 3.67Å; L913-F959 HydrophobicContact CD2-CD2 3.42Å; L913-F959 VanDerWaalsContact CD2-CD2 3.42Å; L913-F959 HydrophobicContact CD2-CE1 4.09Å; L913-F959 HydrophobicContact CD2-CE2 3.87Å; L913-F959 HydrophobicContact CD2-CG 3.3Å; L913-F959 HydrophobicContact CD2-CZ 4.18Å; F959-L961 HydrophobicContact CD2-CD1 4.3Å; F959-L961 HydrophobicContact CD2-CG 4.39Å; F959-L961 HydrophobicContact CE2-CD1 4.35Å; F959-N975 VanDerWaalsContact CA-OD1 3.27Å; F959-N975 WeakPolarHBondContact CA-OD1 3.2Å; F959-A1005 HydrophobicContact CE1-CB 4.22Å; F959-L1007 HydrophobicContact CE2-CD2 3.9Å; F959-L1007 HydrophobicContact CZ-CD2 3.88Å
960	T	85.6	Confident	66.8	Low	28 Å²	28	56.7 Å²	56.7	17%	0.172	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	140.5	169.9	74.7	0	0	0	0	109.7	V876 Y877 S974 N975	V876-T960 CarbonylContact O-C 3.46Å; V876-T960 WeakPolarHBondContact O-CA 3.47Å; Y877-T960 HydrophobicContact CD1-CG2 3.69Å; Y877-T960 HydrophobicContact CE1-CG2 3.67Å; T960-S974 VanDerWaalsContact O-CA 3.3Å; T960-S974 WeakPolarHBondContact O-CA 3.5Å; T960-S974 PolarHBondContact O-OG 2.88Å; T960-N975 PolarHBondContact N-OD1 3.05Å; T960-N975 PolarHBondContact O-N 2.97Å; T960-N975 WeakPolarHBondContact OG1-CA 3.42Å; T960-N975 PolarHBondContact OG1-N 2.73Å
961	L	86.3	Confident	68.9	Low	0 Å²	0	53 Å²	53	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	111.2	177.7	-72.7	172	0	0	0	109.7	L875 V876 I892 L911 L913 F959 F963 I972 I973	L875-L961 WeakPolarHBondContact CA-O 3.4Å; V876-L961 HydrophobicContact CB-CB 4.33Å; V876-L961 PolarHBondContact N-O 3.4Å; V876-L961 PolarHBondContact O-N 2.86Å; I892-L961 HydrophobicContact CD1-CD1 3.42Å; I892-L961 VanDerWaalsContact CD1-CD1 3.42Å; L911-L961 HydrophobicContact CD1-CD1 4.47Å; L913-L961 HydrophobicContact CD1-CD2 4.48Å; L913-L961 HydrophobicContact CD2-CD1 4.39Å; F959-L961 HydrophobicContact CD2-CD1 4.3Å; F959-L961 HydrophobicContact CD2-CG 4.39Å; F959-L961 HydrophobicContact CE2-CD1 4.35Å; L961-F963 HydrophobicContact CB-CE2 3.85Å; L961-F963 HydrophobicContact CB-CZ 4.2Å; L961-I972 HydrophobicContact CD2-CG2 4.25Å; L961-I973 CarbonylContact C-O 3.48Å; L961-I973 WeakPolarHBondContact CA-O 3.39Å
962	K	86.4	Confident	71.1	Confident	65 Å²	65	46.9 Å²	46.9	28%	0.283	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	101.7	-176.5	-172.8	179.4	-179.6	175.7	0	110.2	A874 L875 I964 I973	A874-K962 CarbonylContact O-C 3.55Å; A874-K962 WeakPolarHBondContact O-CA 3.21Å; L875-K962 HydrophobicContact CD1-CB 3.81Å; L875-K962 HydrophobicContact CD1-CG 4.26Å; K962-I964 HydrophobicContact CG-CD1 4.48Å; K962-I964 HydrophobicContact CG-CG1 4.21Å; K962-I973 HydrophobicContact CB-CB 4.2Å; K962-I973 PolarHBondContact N-O 3.06Å; K962-I973 PolarHBondContact O-N 2.9Å
963	F	85	Confident	73.2	Confident	1 Å²	1	44.5 Å²	44.5	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	130.6	173.5	-55.6	-92.8	0	0	0	108.6	L868 S873 A874 V876 L894 L911 L961 V971 I972 L994 I997	L868-F963 HydrophobicContact CD2-CB 3.96Å; S873-F963 CarbonylContact C-O 3.6Å; S873-F963 WeakPolarHBondContact CA-O 3.33Å; S873-F963 WeakPolarHBondContact CB-O 3.36Å; A874-F963 HydrophobicContact CB-CB 4.44Å; A874-F963 PolarHBondContact N-O 3.12Å; A874-F963 PolarHBondContact O-N 2.94Å; V876-F963 HydrophobicContact CB-CE2 4.34Å; V876-F963 HydrophobicContact CG2-CD2 4.41Å; V876-F963 HydrophobicContact CG2-CE2 3.9Å; L894-F963 HydrophobicContact CD1-CD1 4.35Å; L894-F963 HydrophobicContact CD1-CE1 3.65Å; L894-F963 HydrophobicContact CD2-CE1 3.68Å; L894-F963 HydrophobicContact CD2-CZ 3.88Å; L894-F963 HydrophobicContact CG-CE1 4.33Å; L911-F963 HydrophobicContact CD1-CE1 3.99Å; L911-F963 HydrophobicContact CD1-CZ 4Å; L961-F963 HydrophobicContact CB-CE2 3.85Å; L961-F963 HydrophobicContact CB-CZ 4.2Å; F963-V971 CarbonylContact C-O 3.51Å; F963-V971 WeakPolarHBondContact CA-O 3.49Å; F963-I972 HydrophobicContact CD1-CD1 3.97Å; F963-I972 HydrophobicContact CD1-CG1 3.78Å; F963-I972 HydrophobicContact CD1-CG2 4.32Å; F963-I972 HydrophobicContact CE1-CD1 3.78Å; F963-I972 HydrophobicContact CE1-CG1 4.01Å; F963-I972 HydrophobicContact CE1-CG2 4.04Å; F963-I972 HydrophobicContact CZ-CG2 4.48Å; F963-L994 HydrophobicContact CB-CD2 4.37Å; F963-L994 HydrophobicContact CD1-CD2 4.07Å; F963-L994 HydrophobicContact CG-CD2 4.17Å; F963-I997 HydrophobicContact CD2-CD1 4.01Å; F963-I997 HydrophobicContact CE2-CD1 3.79Å; F963-I997 HydrophobicContact CZ-CD1 4.23Å
964	I	81.9	Confident	74.9	Confident	19 Å²	19	37.6 Å²	37.6	10%	0.097	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	113.7	175.2	-44.8	179.6	0	0	0	108.5	K962 T970 V971 I973 C1017	K962-I964 HydrophobicContact CG-CD1 4.48Å; K962-I964 HydrophobicContact CG-CG1 4.21Å; I964-T970 CarbonylContact O-C 3.55Å; I964-T970 WeakPolarHBondContact O-CA 3.33Å; I964-V971 HydrophobicContact CB-CB 4.13Å; I964-V971 HydrophobicContact CB-CG2 4.46Å; I964-V971 PolarHBondContact N-O 3.27Å; I964-V971 PolarHBondContact O-N 2.74Å; I964-I973 HydrophobicContact CD1-CD1 3.93Å; I964-C1017 HydrophobicContact CG2-CB 3.72Å
965	S	79.3	Confident	76.2	Confident	6 Å²	6	35.1 Å²	35.1	4%	0.042	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	133.4	176.9	-179	0	0	0	0	110.3	L868 T869 G871 R872	L868-S965 PolarHBondContact O-OG 3.26Å; T869-S965 WeakPolarHBondContact O-CB 3.44Å; G871-S965 WeakPolarHBondContact CA-O 3.2Å; G871-S965 PolarHBondContact N-O 3.2Å; R872-S965 PolarHBondContact O-N 2.81Å
966	Q	76.1	Confident	76.9	Confident	10 Å²	10	36.4 Å²	36.4	5%	0.047	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	161.3	173.7	-64.9	-81.5	-12.4	0	0	108.6	F968 Y969 P1019	Q966-F968 PolarHBondContact O-N 3.2Å; Q966-Y969 CarbonylContact C-O 3.53Å; Q966-Y969 WeakPolarHBondContact CA-O 3.36Å; Q966-Y969 HydrophobicContact CB-CD2 3.92Å; Q966-Y969 HydrophobicContact CB-CE2 3.79Å; Q966-Y969 HydrophobicContact CB-CG 4.37Å; Q966-Y969 WeakPolarHBondContact CB-O 3.11Å; Q966-Y969 HydrophobicContact CG-CD2 4.14Å; Q966-Y969 HydrophobicContact CG-CE2 3.65Å; Q966-Y969 PolarHBondContact N-O 3.3Å; Q966-Y969 PolarHBondContact O-N 3.33Å; Q966-Y969 VanDerWaalsContact O-O 3.11Å; Q966-P1019 PolarHBondContact NE2-O 2.84Å
967	S	67	Low	76.9	Confident	17 Å²	17	37.1 Å²	37.1	12%	0.119	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-17.3	-173	62.2	0	0	0	0	115.9	T1021 H1023	S967-T1021 WeakPolarHBondContact CB-O 3.29Å; S967-T1021 PolarHBondContact OG-O 2.81Å; S967-T1021 VanDerWaalsContact OG-O 3.11Å; S967-H1023 PolarHBondContact OG-N 3.32Å
968	F	63.7	Low	76.3	Confident	85 Å²	85	37.1 Å²	37.1	37%	0.373	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-14.4	-178.6	-55.4	-69.4	0	0	0	114.2	Q966 N984 T1021 H1023 H1138	Q966-F968 PolarHBondContact O-N 3.2Å; F968-N984 PolarHBondContact O-N 3.36Å; F968-N984 VanDerWaalsContact O-N 3.12Å; F968-T1021 HydrophobicContact CD2-CG2 4.25Å; F968-T1021 HydrophobicContact CE2-CG2 3.7Å; F968-H1023 HydrophobicContact CE1-CB 3.78Å; F968-H1023 AromaticContact CE1-CD2 3.3Å; F968-H1023 WeakPolarHBondContact CE1-CD2 3.45Å; F968-H1023 AromaticContact CE1-CG 3.54Å; F968-H1023 AromaticContact CE1-NE2 3.96Å; F968-H1023 HydrophobicContact CE2-CB 4.45Å; F968-H1023 HydrophobicContact CZ-CB 3.75Å; F968-H1023 AromaticContact CZ-CD2 3.38Å; F968-H1023 WeakPolarHBondContact CZ-CD2 3.47Å; F968-H1023 AromaticContact CZ-CG 3.78Å; F968-H1138 HydrophobicContact CZ-CB 4.32Å
969	Y	69.8	Low	75.6	Confident	65 Å²	65	37.1 Å²	37.1	26%	0.255	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	150.8	-169.5	53.6	-101.3	0	0	0	112.2	Q966 V971 I981 L982	Q966-Y969 CarbonylContact C-O 3.53Å; Q966-Y969 WeakPolarHBondContact CA-O 3.36Å; Q966-Y969 HydrophobicContact CB-CD2 3.92Å; Q966-Y969 HydrophobicContact CB-CE2 3.79Å; Q966-Y969 HydrophobicContact CB-CG 4.37Å; Q966-Y969 WeakPolarHBondContact CB-O 3.11Å; Q966-Y969 HydrophobicContact CG-CD2 4.14Å; Q966-Y969 HydrophobicContact CG-CE2 3.65Å; Q966-Y969 PolarHBondContact N-O 3.3Å; Q966-Y969 PolarHBondContact O-N 3.33Å; Q966-Y969 VanDerWaalsContact O-O 3.11Å; Y969-V971 HydrophobicContact CD2-CG2 3.55Å; Y969-V971 HydrophobicContact CE2-CG2 3.41Å; Y969-V971 VanDerWaalsContact CE2-CG2 3.41Å; Y969-I981 HydrophobicContact CD1-CG2 4.19Å; Y969-I981 HydrophobicContact CD2-CG2 3.84Å; Y969-I981 HydrophobicContact CE2-CG2 4.47Å; Y969-I981 HydrophobicContact CG-CG2 3.68Å; Y969-L982 CarbonylContact C-O 3.51Å; Y969-L982 WeakPolarHBondContact CA-O 3.4Å; Y969-L982 VanDerWaalsContact CB-O 3.28Å; Y969-L982 WeakPolarHBondContact CB-O 3.44Å
970	T	72.3	Confident	75	Confident	5 Å²	5	39.7 Å²	39.7	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	124.8	160	-60.9	0	0	0	0	109	I964 I972 L982	I964-T970 CarbonylContact O-C 3.55Å; I964-T970 WeakPolarHBondContact O-CA 3.33Å; T970-I972 HydrophobicContact CG2-CG1 4.36Å; T970-L982 PolarHBondContact N-O 3.11Å; T970-L982 WeakPolarHBondContact O-CA 3.23Å; T970-L982 WeakPolarHBondContact O-CB 3.35Å; T970-L982 PolarHBondContact O-N 2.89Å
971	V	75.9	Confident	74.4	Confident	16 Å²	16	42.6 Å²	42.6	10%	0.097	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	138.7	167.7	-166	0	0	0	0	108.6	F963 I964 Y969 I973 T979 L980	F963-V971 CarbonylContact C-O 3.51Å; F963-V971 WeakPolarHBondContact CA-O 3.49Å; I964-V971 HydrophobicContact CB-CB 4.13Å; I964-V971 HydrophobicContact CB-CG2 4.46Å; I964-V971 PolarHBondContact N-O 3.27Å; I964-V971 PolarHBondContact O-N 2.74Å; Y969-V971 HydrophobicContact CD2-CG2 3.55Å; Y969-V971 HydrophobicContact CE2-CG2 3.41Å; Y969-V971 VanDerWaalsContact CE2-CG2 3.41Å; V971-I973 HydrophobicContact CG1-CD1 4.35Å; V971-I973 HydrophobicContact CG1-CG1 3.73Å; V971-T979 HydrophobicContact CG1-CG2 3.55Å; V971-L980 CarbonylContact C-O 3.59Å; V971-L980 WeakPolarHBondContact CA-O 3.31Å
972	I	80.7	Confident	73.5	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	109.9	167.8	-54.7	-179.1	0	0	0	106.6	L894 L911 L919 L961 F963 T970 L980 L982	L894-I972 HydrophobicContact CD1-CD1 3.98Å; L911-I972 HydrophobicContact CD1-CD1 4.2Å; L911-I972 HydrophobicContact CD1-CG2 4.27Å; L911-I972 HydrophobicContact CD2-CD1 3.79Å; L919-I972 HydrophobicContact CD2-CG2 4.47Å; L961-I972 HydrophobicContact CD2-CG2 4.25Å; F963-I972 HydrophobicContact CD1-CD1 3.97Å; F963-I972 HydrophobicContact CD1-CG1 3.78Å; F963-I972 HydrophobicContact CD1-CG2 4.32Å; F963-I972 HydrophobicContact CE1-CD1 3.78Å; F963-I972 HydrophobicContact CE1-CG1 4.01Å; F963-I972 HydrophobicContact CE1-CG2 4.04Å; F963-I972 HydrophobicContact CZ-CG2 4.48Å; T970-I972 HydrophobicContact CG2-CG1 4.36Å; I972-L980 HydrophobicContact CB-CB 4.4Å; I972-L980 PolarHBondContact N-O 2.7Å; I972-L980 PolarHBondContact O-N 2.89Å; I972-L982 HydrophobicContact CD1-CD1 3.55Å; I972-L982 HydrophobicContact CD1-CG 4.24Å; I972-L982 HydrophobicContact CG1-CD1 4.31Å
973	I	80.7	Confident	72.4	Confident	25 Å²	25	47.6 Å²	47.6	13%	0.128	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	130.3	176.4	-48.2	-179.6	0	0	0	108.5	L961 K962 I964 V971 F978 T979	L961-I973 CarbonylContact C-O 3.48Å; L961-I973 WeakPolarHBondContact CA-O 3.39Å; K962-I973 HydrophobicContact CB-CB 4.2Å; K962-I973 PolarHBondContact N-O 3.06Å; K962-I973 PolarHBondContact O-N 2.9Å; I964-I973 HydrophobicContact CD1-CD1 3.93Å; V971-I973 HydrophobicContact CG1-CD1 4.35Å; V971-I973 HydrophobicContact CG1-CG1 3.73Å; I973-F978 CarbonylContact C-O 3.56Å; I973-F978 WeakPolarHBondContact CA-O 3.03Å; I973-F978 VanDerWaalsContact CG2-O 3.3Å; I973-F978 WeakPolarHBondContact CG2-O 3.39Å; I973-T979 HydrophobicContact CG1-CG2 4.34Å
974	S	79.1	Confident	70.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	130.7	175.2	-169.6	0	0	0	0	111.4	T960 D976 Q977 F978	T960-S974 VanDerWaalsContact O-CA 3.3Å; T960-S974 WeakPolarHBondContact O-CA 3.5Å; T960-S974 PolarHBondContact O-OG 2.88Å; S974-D976 PolarHBondContact O-N 2.98Å; S974-Q977 PolarHBondContact O-N 2.97Å; S974-F978 PolarHBondContact N-O 2.85Å; S974-F978 PolarHBondContact O-N 2.87Å
975	N	74.7	Confident	69.3	Low	52 Å²	52	52.4 Å²	52.4	28%	0.278	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	27.1	-179.3	-66.7	-6.7	0	0	0	114.4	F959 T960 Q977	F959-N975 VanDerWaalsContact CA-OD1 3.27Å; F959-N975 WeakPolarHBondContact CA-OD1 3.2Å; T960-N975 PolarHBondContact N-OD1 3.05Å; T960-N975 PolarHBondContact O-N 2.97Å; T960-N975 WeakPolarHBondContact OG1-CA 3.42Å; T960-N975 PolarHBondContact OG1-N 2.73Å; N975-Q977 WeakPolarHBondContact O-CG 3.5Å; N975-Q977 PolarHBondContact O-N 3.04Å
976	D	68.8	Low	68	Low	115 Å²	115	53.5 Å²	53.5	62%	0.615	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	14.4	-169.4	-65.6	-57.2	0	0	0	115.5	S974	S974-D976 PolarHBondContact O-N 2.98Å
977	Q	63.9	Low	66.6	Low	127 Å²	127	56.4 Å²	56.4	59%	0.593	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-47	-178.4	-72.9	174.2	5	0	0	112.4	S974 N975	S974-Q977 PolarHBondContact O-N 2.97Å; N975-Q977 WeakPolarHBondContact O-CG 3.5Å; N975-Q977 PolarHBondContact O-N 3.04Å
978	F	61	Low	65.8	Low	54 Å²	54	66.4 Å²	66.4	24%	0.237	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	135.8	-175.6	-54.6	-82.2	0	0	0	109.7	G917 L944 I973 S974	G917-F978 WeakPolarHBondContact O-CE2 3.35Å; L944-F978 HydrophobicContact CD1-CE2 4.3Å; L944-F978 HydrophobicContact CD1-CZ 3.85Å; L944-F978 HydrophobicContact CG-CZ 4.05Å; I973-F978 CarbonylContact C-O 3.56Å; I973-F978 WeakPolarHBondContact CA-O 3.03Å; I973-F978 VanDerWaalsContact CG2-O 3.3Å; I973-F978 WeakPolarHBondContact CG2-O 3.39Å; S974-F978 PolarHBondContact N-O 2.85Å; S974-F978 PolarHBondContact O-N 2.87Å
979	T	66.7	Low	64.9	Low	85 Å²	85	66.2 Å²	66.2	52%	0.521	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	98.8	-179.8	-64.5	0	0	0	0	110.1	V971 I973 I981	V971-T979 HydrophobicContact CG1-CG2 3.55Å; I973-T979 HydrophobicContact CG1-CG2 4.34Å; T979-I981 HydrophobicContact CG2-CG1 4.45Å
980	L	70.9	Confident	64.1	Low	59 Å²	59	64.2 Å²	64.2	31%	0.309	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	129.9	172.7	-179.5	69.9	0	0	0	109.8	L919 V921 V971 I972 L982	L919-L980 HydrophobicContact CD2-CB 4.47Å; V921-L980 HydrophobicContact CG2-CD2 3.37Å; V971-L980 CarbonylContact C-O 3.59Å; V971-L980 WeakPolarHBondContact CA-O 3.31Å; I972-L980 HydrophobicContact CB-CB 4.4Å; I972-L980 PolarHBondContact N-O 2.7Å; I972-L980 PolarHBondContact O-N 2.89Å; L980-L982 HydrophobicContact CD2-CD2 3.8Å; L980-L982 HydrophobicContact CD2-CG 4.1Å; L980-L982 HydrophobicContact CG-CD2 4.28Å; L980-L982 HydrophobicContact CG-CG 4.44Å
981	I	72.3	Confident	63.4	Low	89 Å²	89	66.2 Å²	66.2	46%	0.456	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	96	173.5	-57	179.1	0	0	0	108.6	Y969 T979 K983	Y969-I981 HydrophobicContact CD1-CG2 4.19Å; Y969-I981 HydrophobicContact CD2-CG2 3.84Å; Y969-I981 HydrophobicContact CE2-CG2 4.47Å; Y969-I981 HydrophobicContact CG-CG2 3.68Å; T979-I981 HydrophobicContact CG2-CG1 4.45Å; I981-K983 HydrophobicContact CG2-CG 4.31Å; I981-K983 PolarHBondContact O-N 2.8Å
982	L	67.4	Low	62.8	Low	12 Å²	12	65.8 Å²	65.8	6%	0.063	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	80.9	164.3	-61.5	179.8	0	0	0	108.3	L909 V921 Y969 T970 I972 L980 N984	L909-L982 HydrophobicContact CD1-CD1 3.98Å; L909-L982 HydrophobicContact CD1-CD2 4.23Å; L909-L982 HydrophobicContact CD2-CD1 4.05Å; V921-L982 HydrophobicContact CG1-CD2 4.34Å; Y969-L982 CarbonylContact C-O 3.51Å; Y969-L982 WeakPolarHBondContact CA-O 3.4Å; Y969-L982 VanDerWaalsContact CB-O 3.28Å; Y969-L982 WeakPolarHBondContact CB-O 3.44Å; T970-L982 PolarHBondContact N-O 3.11Å; T970-L982 WeakPolarHBondContact O-CA 3.23Å; T970-L982 WeakPolarHBondContact O-CB 3.35Å; T970-L982 PolarHBondContact O-N 2.89Å; I972-L982 HydrophobicContact CD1-CD1 3.55Å; I972-L982 HydrophobicContact CD1-CG 4.24Å; I972-L982 HydrophobicContact CG1-CD1 4.31Å; L980-L982 HydrophobicContact CD2-CD2 3.8Å; L980-L982 HydrophobicContact CD2-CG 4.1Å; L980-L982 HydrophobicContact CG-CD2 4.28Å; L980-L982 HydrophobicContact CG-CG 4.44Å; L982-N984 PolarHBondContact O-N 3.08Å; L982-N984 VanDerWaalsContact O-N 3.12Å
983	K	63.8	Low	62.3	Low	157 Å²	157	67.2 Å²	67.2	68%	0.683	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-45.1	121.7	155.2	-67.1	176	-177.1	170.8	0	106.3	I981 Q985	I981-K983 HydrophobicContact CG2-CG 4.31Å; I981-K983 PolarHBondContact O-N 2.8Å; K983-Q985 VanDerWaalsContact O-CG 3.29Å; K983-Q985 WeakPolarHBondContact O-CG 3.47Å; K983-Q985 PolarHBondContact O-N 3.1Å
984	N	53.4	Low	62.1	Low	43 Å²	43	66.1 Å²	66.1	23%	0.23	34%	0.336	C	S	.	.			trans	-49.5	110.2	-172.2	-79.4	2.2	0	0	0	108.4	F968 L982 F986	F968-N984 PolarHBondContact O-N 3.36Å; F968-N984 VanDerWaalsContact O-N 3.12Å; L982-N984 PolarHBondContact O-N 3.08Å; L982-N984 VanDerWaalsContact O-N 3.12Å; N984-F986 HydrophobicContact CB-CD2 3.8Å; N984-F986 HydrophobicContact CB-CE2 4.47Å; N984-F986 PolarHBondContact O-N 2.69Å
985	Q	48.2	Very low	62.1	Low	78 Å²	78	67.2 Å²	67.2	36%	0.364	34%	0.343	S	S	.	.			trans	-81.7	35.8	-172.2	-63.7	-166.6	-0.7	0	0	111.1	K923 K983	K923-Q985 PolarHBondContact NZ-O 3.42Å; K983-Q985 VanDerWaalsContact O-CG 3.29Å; K983-Q985 WeakPolarHBondContact O-CG 3.47Å; K983-Q985 PolarHBondContact O-N 3.1Å
986	F	51.6	Low	62.3	Low	30 Å²	30	64.8 Å²	64.8	13%	0.132	33%	0.33	C	S	.	.	S	Bend	trans	-138.6	163.9	-161.9	-37.1	-61	0	0	0	107.9	F896 E907 N984 K988 Y992	F896-F986 HydrophobicContact CD1-CE2 4.46Å; F896-F986 HydrophobicContact CD2-CZ 4.39Å; F896-F986 HydrophobicContact CG-CZ 4.24Å; E907-F986 HydrophobicContact CB-CD1 4.43Å; E907-F986 HydrophobicContact CB-CE1 3.87Å; E907-F986 VanDerWaalsContact CD-CD1 3.44Å; E907-F986 HydrophobicContact CG-CD1 4.31Å; E907-F986 HydrophobicContact CG-CE1 4.21Å; E907-F986 WeakPolarHBondContact OE1-CD1 3.47Å; E907-F986 WeakPolarHBondContact OE2-CE1 3.29Å; N984-F986 HydrophobicContact CB-CD2 3.8Å; N984-F986 HydrophobicContact CB-CE2 4.47Å; N984-F986 PolarHBondContact O-N 2.69Å; F986-K988 PolarHBondContact O-N 2.97Å; F986-Y992 HydrophobicContact CB-CD2 3.46Å; F986-Y992 VanDerWaalsContact CB-CD2 3.46Å; F986-Y992 HydrophobicContact CB-CE1 4.31Å; F986-Y992 HydrophobicContact CB-CE2 3.14Å; F986-Y992 HydrophobicContact CB-CG 4.19Å; F986-Y992 HydrophobicContact CD1-CD1 4.33Å; F986-Y992 HydrophobicContact CD1-CE1 4.26Å; F986-Y992 HydrophobicContact CD1-CG 4.49Å; F986-Y992 HydrophobicContact CD2-CD1 4.03Å; F986-Y992 AromaticContact CD2-CD2 3.42Å; F986-Y992 HydrophobicContact CD2-CD2 3.42Å; F986-Y992 VanDerWaalsContact CD2-CD2 3.42Å; F986-Y992 HydrophobicContact CD2-CE2 4.04Å; F986-Y992 AromaticContact CD2-CG 3.43Å; F986-Y992 HydrophobicContact CD2-CG 3.43Å; F986-Y992 VanDerWaalsContact CD2-CG 3.43Å; F986-Y992 HydrophobicContact CE2-CD1 4.23Å; F986-Y992 HydrophobicContact CE2-CD2 4.27Å; F986-Y992 AromaticContact CE2-CG 3.81Å; F986-Y992 HydrophobicContact CE2-CG 3.81Å; F986-Y992 HydrophobicContact CG-CD1 4.1Å; F986-Y992 AromaticContact CG-CD2 3.61Å; F986-Y992 HydrophobicContact CG-CD2 3.61Å; F986-Y992 HydrophobicContact CG-CE1 4.17Å; F986-Y992 AromaticContact CG-CE2 3.71Å; F986-Y992 HydrophobicContact CG-CE2 3.71Å; F986-Y992 AromaticContact CG-CG 3.83Å; F986-Y992 HydrophobicContact CG-CG 3.83Å; F986-Y992 AromaticContact CG-CZ 4Å; F986-Y992 HydrophobicContact CZ-CD1 4.45Å; F986-Y992 HydrophobicContact CZ-CG 4.47Å
987	P	47.7	Very low	63	Low	70 Å²	70	59.3 Å²	59.3	46%	0.455	30%	0.301	S	S	.	.			trans	-57.6	138	-178.6	-23.6	34.4	0	0	0	112.3	S989 T990	P987-S989 PolarHBondContact O-N 3.37Å; P987-T990 PolarHBondContact O-N 2.78Å; P987-T990 VanDerWaalsContact O-N 3.09Å; P987-T990 PolarHBondContact O-OG1 3.19Å
988	K	50.1	Low	63.9	Low	227 Å²	227	55.7 Å²	55.7	99%	0.987	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-14.7	-177.3	-65.4	-178.9	-178.5	174.5	0	114.4	F986	F986-K988 PolarHBondContact O-N 2.97Å
989	S	44.9	Very low	65	Low	82 Å²	82	54 Å²	54	57%	0.573	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-27.7	178.8	43.7	0	0	0	0	113.6	P987	P987-S989 PolarHBondContact O-N 3.37Å
990	T	52	Low	65.3	Low	22 Å²	22	52.1 Å²	52.1	14%	0.135	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-103.4	127.4	-170.2	10.7	0	0	0	0	112	T898 Y900 P987 Y992	T898-T990 HydrophobicContact CG2-CG2 3.97Å; Y900-T990 HydrophobicContact CD2-CG2 3.65Å; Y900-T990 HydrophobicContact CE2-CG2 3.84Å; P987-T990 PolarHBondContact O-N 2.78Å; P987-T990 VanDerWaalsContact O-N 3.09Å; P987-T990 PolarHBondContact O-OG1 3.19Å; T990-Y992 VanDerWaalsContact CB-CE2 3.41Å; T990-Y992 HydrophobicContact CG2-CE2 4.43Å; T990-Y992 WeakPolarHBondContact O-CD2 3.41Å; T990-Y992 PolarHBondContact O-N 3.37Å; T990-Y992 WeakPolarHBondContact OG1-CE2 3.28Å
991	N	58.2	Low	65.1	Low	48 Å²	48	53.9 Å²	53.9	26%	0.257	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-79.1	117.9	168.3	-76.1	-8.4	0	0	0	108.7	T898 S899	T898-N991 CarbonylContact C-O 3.56Å; T898-N991 WeakPolarHBondContact CA-O 3.5Å; S899-N991 PolarHBondContact N-O 3.39Å; S899-N991 VanDerWaalsContact N-O 3.12Å
992	Y	62.5	Low	64.7	Low	7 Å²	7	51.6 Å²	51.6	3%	0.027	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129.7	172.1	-71.5	-102.8	0	0	0	109.2	F896 K897 T898 E907 F986 T990	F896-Y992 HydrophobicContact CB-CD1 4.19Å; K897-Y992 WeakPolarHBondContact O-CA 3.43Å; T898-Y992 HydrophobicContact CG2-CD1 3.9Å; T898-Y992 HydrophobicContact CG2-CE1 3.36Å; T898-Y992 HydrophobicContact CG2-CE2 4.05Å; T898-Y992 HydrophobicContact CG2-CG 4.45Å; T898-Y992 VanDerWaalsContact CG2-CZ 3.43Å; E907-Y992 HydrophobicContact CB-CE1 4.36Å; E907-Y992 HydrophobicContact CG-CE1 4.11Å; F986-Y992 HydrophobicContact CB-CD2 3.46Å; F986-Y992 VanDerWaalsContact CB-CD2 3.46Å; F986-Y992 HydrophobicContact CB-CE1 4.31Å; F986-Y992 HydrophobicContact CB-CE2 3.14Å; F986-Y992 HydrophobicContact CB-CG 4.19Å; F986-Y992 HydrophobicContact CD1-CD1 4.33Å; F986-Y992 HydrophobicContact CD1-CE1 4.26Å; F986-Y992 HydrophobicContact CD1-CG 4.49Å; F986-Y992 HydrophobicContact CD2-CD1 4.03Å; F986-Y992 AromaticContact CD2-CD2 3.42Å; F986-Y992 HydrophobicContact CD2-CD2 3.42Å; F986-Y992 VanDerWaalsContact CD2-CD2 3.42Å; F986-Y992 HydrophobicContact CD2-CE2 4.04Å; F986-Y992 AromaticContact CD2-CG 3.43Å; F986-Y992 HydrophobicContact CD2-CG 3.43Å; F986-Y992 VanDerWaalsContact CD2-CG 3.43Å; F986-Y992 HydrophobicContact CE2-CD1 4.23Å; F986-Y992 HydrophobicContact CE2-CD2 4.27Å; F986-Y992 AromaticContact CE2-CG 3.81Å; F986-Y992 HydrophobicContact CE2-CG 3.81Å; F986-Y992 HydrophobicContact CG-CD1 4.1Å; F986-Y992 AromaticContact CG-CD2 3.61Å; F986-Y992 HydrophobicContact CG-CD2 3.61Å; F986-Y992 HydrophobicContact CG-CE1 4.17Å; F986-Y992 AromaticContact CG-CE2 3.71Å; F986-Y992 HydrophobicContact CG-CE2 3.71Å; F986-Y992 AromaticContact CG-CG 3.83Å; F986-Y992 HydrophobicContact CG-CG 3.83Å; F986-Y992 AromaticContact CG-CZ 4Å; F986-Y992 HydrophobicContact CZ-CD1 4.45Å; F986-Y992 HydrophobicContact CZ-CG 4.47Å; T990-Y992 VanDerWaalsContact CB-CE2 3.41Å; T990-Y992 HydrophobicContact CG2-CE2 4.43Å; T990-Y992 WeakPolarHBondContact O-CD2 3.41Å; T990-Y992 PolarHBondContact O-N 3.37Å; T990-Y992 WeakPolarHBondContact OG1-CE2 3.28Å
993	H	70.5	Confident	64.8	Low	30 Å²	30	54.3 Å²	54.3	14%	0.139	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	127.4	178.5	-62.4	-64.7	0	0	0	109.6	P867 L868 F896 K897 T995	P867-H993 HydrophobicContact CB-CB 3.72Å; L868-H993 PolarHBondContact O-ND1 2.83Å; F896-H993 WeakPolarHBondContact CA-O 3.35Å; K897-H993 PolarHBondContact N-O 3.42Å; K897-H993 PolarHBondContact O-N 2.81Å; H993-T995 PolarHBondContact O-N 2.77Å
994	L	77.1	Confident	65.5	Low	2 Å²	2	49.1 Å²	49.1	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	127.2	170.9	-178	72.4	0	0	0	108.5	L864 P867 L868 L894 E895 F896 F963 I997	L864-L994 HydrophobicContact CD1-CB 4.35Å; L864-L994 HydrophobicContact CD1-CD2 3.9Å; L864-L994 HydrophobicContact CD1-CG 3.85Å; P867-L994 WeakPolarHBondContact CA-O 3.37Å; L868-L994 HydrophobicContact CB-CB 3.91Å; L868-L994 HydrophobicContact CD2-CB 4.47Å; L868-L994 HydrophobicContact CD2-CD2 4.27Å; L868-L994 PolarHBondContact N-O 2.82Å; L894-L994 HydrophobicContact CB-CD1 3.63Å; L894-L994 HydrophobicContact CD1-CD1 4.46Å; L894-L994 HydrophobicContact CD2-CD1 4.12Å; L894-L994 HydrophobicContact CG-CD1 4.28Å; E895-L994 WeakPolarHBondContact O-CA 3.2Å; F896-L994 HydrophobicContact CD1-CB 4.13Å; F896-L994 HydrophobicContact CD1-CD1 4.5Å; F896-L994 HydrophobicContact CD2-CD1 4.38Å; F896-L994 HydrophobicContact CE1-CB 3.88Å; F896-L994 HydrophobicContact CE1-CD1 4.1Å; F896-L994 HydrophobicContact CE2-CD1 3.96Å; F896-L994 HydrophobicContact CZ-CB 4.42Å; F896-L994 HydrophobicContact CZ-CD1 3.81Å; F963-L994 HydrophobicContact CB-CD2 4.37Å; F963-L994 HydrophobicContact CD1-CD2 4.07Å; F963-L994 HydrophobicContact CG-CD2 4.17Å; L994-I997 HydrophobicContact CD2-CD1 4.06Å; L994-I997 HydrophobicContact CD2-CG1 4.13Å
995	T	77.6	Confident	66.9	Low	22 Å²	22	47.1 Å²	47.1	14%	0.135	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	-31.6	-177.8	52.9	0	0	0	0	114.3	L864 P867 E895 K897 H993	L864-T995 WeakPolarHBondContact CB-O 3.29Å; L864-T995 PolarHBondContact N-O 2.9Å; P867-T995 HydrophobicContact CB-CG2 4.1Å; P867-T995 HydrophobicContact CG-CG2 4.16Å; E895-T995 PolarHBondContact O-N 2.83Å; E895-T995 PolarHBondContact O-OG1 2.98Å; K897-T995 HydrophobicContact CB-CG2 4.07Å; K897-T995 HydrophobicContact CD-CG2 4.06Å; K897-T995 HydrophobicContact CG-CG2 3.91Å; H993-T995 PolarHBondContact O-N 2.77Å
996	S	79.3	Confident	68.4	Low	1 Å²	1	46.7 Å²	46.7	1%	0.007	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	153.3	178.9	74.9	0	0	0	0	111.1	D863 E895	D863-S996 WeakPolarHBondContact OD1-CB 3.17Å; E895-S996 VanDerWaalsContact CB-OG 3.29Å; E895-S996 WeakPolarHBondContact CB-OG 3.21Å; E895-S996 VanDerWaalsContact CD-OG 3.24Å; E895-S996 VanDerWaalsContact CG-OG 3.23Å; E895-S996 WeakPolarHBondContact CG-OG 3.12Å; E895-S996 PolarHBondContact N-O 3.28Å; E895-S996 PolarHBondContact OE2-OG 3Å
997	I	84	Confident	69.9	Low	1 Å²	1	45.8 Å²	45.8	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	118	172.8	-56	-178.6	0	0	0	106.6	M862 L864 V876 I892 R893 L894 F963 L994	M862-I997 CarbonylContact C-O 3.59Å; M862-I997 WeakPolarHBondContact CA-O 3.39Å; M862-I997 VanDerWaalsContact CB-O 3.31Å; M862-I997 WeakPolarHBondContact CB-O 3.47Å; M862-I997 PolarHBondContact N-O 3.34Å; M862-I997 PolarHBondContact O-N 3.35Å; L864-I997 HydrophobicContact CD2-CD1 3.98Å; L864-I997 HydrophobicContact CD2-CG1 4.2Å; V876-I997 HydrophobicContact CG2-CD1 3.65Å; V876-I997 HydrophobicContact CG2-CG2 4.43Å; I892-I997 HydrophobicContact CG2-CG2 3.51Å; R893-I997 WeakPolarHBondContact O-CA 3.47Å; L894-I997 HydrophobicContact CD2-CB 4.44Å; L894-I997 HydrophobicContact CD2-CG1 4.03Å; L894-I997 HydrophobicContact CD2-CG2 4.07Å; F963-I997 HydrophobicContact CD2-CD1 4.01Å; F963-I997 HydrophobicContact CE2-CD1 3.79Å; F963-I997 HydrophobicContact CZ-CD1 4.23Å; L994-I997 HydrophobicContact CD2-CD1 4.06Å; L994-I997 HydrophobicContact CD2-CG1 4.13Å
998	K	82.7	Confident	71.3	Confident	50 Å²	50	45.2 Å²	45.2	22%	0.217	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	131.5	-178.4	-176.8	-163.1	171	-160.7	0	110.1	T861 I892 R893 E1000	T861-K998 HydrophobicContact CG2-CB 3.97Å; T861-K998 HydrophobicContact CG2-CD 3.79Å; T861-K998 HydrophobicContact CG2-CG 3.77Å; I892-K998 CarbonylContact C-O 3.52Å; I892-K998 WeakPolarHBondContact CA-O 3.49Å; R893-K998 HydrophobicContact CB-CB 4.25Å; R893-K998 PolarHBondContact N-O 2.86Å; R893-K998 PolarHBondContact O-N 3.29Å; K998-E1000 WeakPolarHBondContact CD-OE1 3.46Å; K998-E1000 WeakPolarHBondContact CE-OE2 3.34Å; K998-E1000 IonicContact NZ-OE1 3.35Å; K998-E1000 PolarHBondContact NZ-OE1 3.01Å; K998-E1000 IonicContact NZ-OE2 3.13Å; K998-E1000 PolarHBondContact NZ-OE2 3.31Å; K998-E1000 PolarHBondContact O-N 2.89Å
999	L	83.5	Confident	72.6	Confident	19 Å²	19	38.7 Å²	38.7	10%	0.099	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	116.1	165.4	-167.6	70.2	0	0	0	108.5	C890 I892 A1005 L1007	C890-L999 HydrophobicContact CB-CD1 3.97Å; I892-L999 HydrophobicContact CG1-CD1 3.85Å; L999-A1005 HydrophobicContact CD1-CB 4.48Å; L999-A1005 HydrophobicContact CD2-CB 4.39Å; L999-A1005 WeakPolarHBondContact CD2-O 3.42Å; L999-L1007 HydrophobicContact CB-CD1 4.07Å; L999-L1007 HydrophobicContact CB-CG 4.21Å; L999-L1007 HydrophobicContact CD1-CD2 4.4Å; L999-L1007 HydrophobicContact CD1-CG 4.48Å; L999-L1007 HydrophobicContact CD2-CG 4.42Å
1000	E	73.3	Confident	74.3	Confident	45 Å²	45	35.9 Å²	35.9	21%	0.21	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.4	168.8	-65.3	-71.5	-175.7	0	0	108.3	F891 R893 Y910 K998	F891-E1000 HydrophobicContact CB-CB 3.94Å; F891-E1000 PolarHBondContact O-N 3.24Å; R893-E1000 HydrophobicContact CB-CG 3.77Å; R893-E1000 WeakPolarHBondContact CD-OE1 3.14Å; R893-E1000 IonicContact NH1-OE1 2.74Å; Y910-E1000 HydrophobicContact CD1-CG 4.3Å; Y910-E1000 HydrophobicContact CE1-CG 4.04Å; K998-E1000 WeakPolarHBondContact CD-OE1 3.46Å; K998-E1000 WeakPolarHBondContact CE-OE2 3.34Å; K998-E1000 IonicContact NZ-OE1 3.35Å; K998-E1000 PolarHBondContact NZ-OE1 3.01Å; K998-E1000 IonicContact NZ-OE2 3.13Å; K998-E1000 PolarHBondContact NZ-OE2 3.31Å; K998-E1000 PolarHBondContact O-N 2.89Å
1001	D	66.7	Low	75.6	Confident	97 Å²	97	40.2 Å²	40.2	52%	0.519	20%	0.204	S	C	.	.			trans	61.8	96.3	-170.5	-163	-16.5	0	0	0	114.6	T1003	D1001-T1003 VanDerWaalsContact CG-OG1 3.25Å; D1001-T1003 PolarHBondContact O-N 2.92Å; D1001-T1003 WeakPolarHBondContact OD1-CB 3.22Å; D1001-T1003 WeakPolarHBondContact OD1-CG2 3.44Å; D1001-T1003 PolarHBondContact OD1-N 3.03Å; D1001-T1003 PolarHBondContact OD1-OG1 2.84Å; D1001-T1003 PolarHBondContact OD2-OG1 3.45Å
1002	S	64.9	Low	76.6	Confident	41 Å²	41	40.1 Å²	40.1	29%	0.287	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	5.9	179	63.8	0	0	0	0	114.3	D859 K881	D859-S1002 PolarHBondContact OD1-OG 2.8Å; K881-S1002 WeakPolarHBondContact CE-O 3.29Å; K881-S1002 PolarHBondContact NZ-O 3.12Å
1003	T	70	Confident	77.2	Confident	69 Å²	69	40.8 Å²	40.8	42%	0.423	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-43.1	-179.4	55.2	0	0	0	0	113.5	Y882 D1001	Y882-T1003 VanDerWaalsContact CE2-O 3.29Å; Y882-T1003 WeakPolarHBondContact CE2-O 3.43Å; D1001-T1003 VanDerWaalsContact CG-OG1 3.25Å; D1001-T1003 PolarHBondContact O-N 2.92Å; D1001-T1003 WeakPolarHBondContact OD1-CB 3.22Å; D1001-T1003 WeakPolarHBondContact OD1-CG2 3.44Å; D1001-T1003 PolarHBondContact OD1-N 3.03Å; D1001-T1003 PolarHBondContact OD1-OG1 2.84Å; D1001-T1003 PolarHBondContact OD2-OG1 3.45Å
1004	N	77.6	Confident	77.3	Confident	48 Å²	48	47.7 Å²	47.7	26%	0.257	23%	0.233	S	C	.	.	S	Bend	trans	-92.6	-22.5	-172.3	-70.1	-33.3	0	0	0	114.2	F880 K881 S889	F880-N1004 CarbonylContact C-O 3.56Å; F880-N1004 WeakPolarHBondContact CA-O 3.3Å; K881-N1004 PolarHBondContact N-O 2.78Å; S889-N1004 PolarHBondContact O-ND2 3.08Å
1005	A	82.1	Confident	77.5	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	165	-173.4	0	0	0	0	0	112.8	H879 F880 K881 C890 F959 L999	H879-A1005 CarbonylContact O-C 3.54Å; H879-A1005 VanDerWaalsContact O-CA 3.23Å; H879-A1005 WeakPolarHBondContact O-CA 3.18Å; H879-A1005 WeakPolarHBondContact O-CB 3.02Å; F880-A1005 HydrophobicContact CD1-CB 4.25Å; F880-A1005 HydrophobicContact CE1-CB 4.48Å; K881-A1005 WeakPolarHBondContact CE-O 3.33Å; K881-A1005 PolarHBondContact NZ-O 3.02Å; C890-A1005 HydrophobicContact CB-CB 3.64Å; F959-A1005 HydrophobicContact CE1-CB 4.22Å; L999-A1005 HydrophobicContact CD1-CB 4.48Å; L999-A1005 HydrophobicContact CD2-CB 4.39Å; L999-A1005 WeakPolarHBondContact CD2-O 3.42Å
1006	E	80.9	Confident	77.7	Confident	70 Å²	70	49.3 Å²	49.3	33%	0.327	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	153	169.3	-154.2	149.9	119.1	0	0	109.8	G878 H879 K881	G878-E1006 CarbonylContact C-O 3.55Å; G878-E1006 WeakPolarHBondContact CA-O 3.45Å; H879-E1006 PolarHBondContact N-O 2.9Å; H879-E1006 PolarHBondContact O-N 2.89Å; K881-E1006 WeakPolarHBondContact CE-OE2 3.23Å; K881-E1006 IonicContact NZ-OE2 2.68Å; K881-E1006 PolarHBondContact NZ-OE2 3.23Å
1007	L	82.4	Confident	77.8	Confident	10 Å²	10	50.1 Å²	50.1	5%	0.052	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	113.8	171.5	-63	-175.3	0	0	0	108.8	I856 M862 V876 Y877 F959 L999	I856-L1007 VanDerWaalsContact CD1-O 3.31Å; I856-L1007 WeakPolarHBondContact CD1-O 3.44Å; I856-L1007 WeakPolarHBondContact CG1-O 3.23Å; M862-L1007 HydrophobicContact CE-CB 3.53Å; M862-L1007 HydrophobicContact CE-CD1 4.29Å; M862-L1007 HydrophobicContact SD-CB 4.12Å; M862-L1007 HydrophobicContact SD-CD1 3.94Å; V876-L1007 HydrophobicContact CG1-CD1 4.37Å; V876-L1007 HydrophobicContact CG1-CD2 3.82Å; Y877-L1007 CarbonylContact O-C 3.59Å; F959-L1007 HydrophobicContact CE2-CD2 3.9Å; F959-L1007 HydrophobicContact CZ-CD2 3.88Å; L999-L1007 HydrophobicContact CB-CD1 4.07Å; L999-L1007 HydrophobicContact CB-CG 4.21Å; L999-L1007 HydrophobicContact CD1-CD2 4.4Å; L999-L1007 HydrophobicContact CD1-CG 4.48Å; L999-L1007 HydrophobicContact CD2-CG 4.42Å
1008	D	78	Confident	77.9	Confident	58 Å²	58	52.2 Å²	52.2	31%	0.31	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-40.6	-173.3	-66.9	-69.1	0	0	0	113.1	I856 Y877 G878 H879	I856-D1008 WeakPolarHBondContact CD1-O 3.17Å; Y877-D1008 PolarHBondContact O-N 2.87Å; G878-D1008 VanDerWaalsContact CA-OD2 3.23Å; G878-D1008 WeakPolarHBondContact CA-OD2 3.28Å; H879-D1008 IonicContact CE1-OD1 2.85Å; H879-D1008 PolarHBondContact CE1-OD1 3.32Å; H879-D1008 VanDerWaalsContact CE1-OD1 3.28Å; H879-D1008 IonicContact CE1-OD2 3.27Å; H879-D1008 IonicContact CG-OD2 2.83Å; H879-D1008 PolarHBondContact N-OD2 2.88Å; H879-D1008 VanDerWaalsContact ND1-CG 3.28Å; H879-D1008 IonicContact ND1-OD1 3Å; H879-D1008 PolarHBondContact ND1-OD1 2.98Å; H879-D1008 IonicContact ND1-OD2 2.84Å; H879-D1008 PolarHBondContact ND1-OD2 2.91Å
1009	K	77.1	Confident	78	Confident	91 Å²	91	53.4 Å²	53.4	40%	0.396	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	140.2	-172.5	-55.9	176.7	-171.6	166	0	111.7	V876 Y877	V876-K1009 WeakPolarHBondContact CA-O 3.3Å; Y877-K1009 HydrophobicContact CD2-CB 3.98Å; Y877-K1009 HydrophobicContact CG-CB 4.43Å; Y877-K1009 PolarHBondContact N-O 2.88Å; Y877-K1009 PolarHBondContact O-N 2.77Å
1010	L	80.4	Confident	78.1	Confident	23 Å²	23	52.5 Å²	52.5	12%	0.12	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	133.3	161.4	171.6	67.5	0	0	0	108.9	I852 M862 L864 A874 V876	I852-L1010 HydrophobicContact CD1-CB 4.32Å; M862-L1010 HydrophobicContact CB-CD2 4.49Å; M862-L1010 HydrophobicContact SD-CB 4.08Å; L864-L1010 HydrophobicContact CD2-CD1 3.82Å; L864-L1010 HydrophobicContact CD2-CD2 3.72Å; L864-L1010 HydrophobicContact CD2-CG 4.4Å; A874-L1010 HydrophobicContact CB-CD1 4.36Å; V876-L1010 HydrophobicContact CG2-CD1 3.81Å
1011	F	78.5	Confident	78.6	Confident	112 Å²	112	51.1 Å²	51.1	49%	0.491	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	124.4	177.1	175.9	-107.5	0	0	0	111.2	L875 P1013	L875-F1011 HydrophobicContact CB-CB 4.43Å; L875-F1011 HydrophobicContact CB-CD1 4.4Å; L875-F1011 HydrophobicContact CD2-CD1 4.36Å; L875-F1011 PolarHBondContact N-O 2.97Å; L875-F1011 PolarHBondContact O-N 2.92Å; F1011-P1013 HydrophobicContact CE1-CB 3.93Å; F1011-P1013 HydrophobicContact CE1-CG 4.29Å; F1011-P1013 HydrophobicContact CZ-CB 4.28Å
1012	M	79	Confident	79.3	Confident	47 Å²	47	47.6 Å²	47.6	23%	0.232	24%	0.241	C	C	.	.			trans	-114.3	105	175.1	-66.9	-176.5	75	0	0	109.8	L864 P865 L868 A874	L864-M1012 HydrophobicContact CB-SD 4.13Å; L864-M1012 HydrophobicContact CD2-SD 4.09Å; P865-M1012 HydrophobicContact CG-SD 3.92Å; L868-M1012 HydrophobicContact CD1-CE 3.84Å; A874-M1012 HydrophobicContact CB-CG 3.9Å
1013	P	76.2	Confident	79.7	Confident	20 Å²	20	49.8 Å²	49.8	13%	0.13	25%	0.246	C	C	.	.			trans	-62.6	143.7	177.4	22.7	-33.5	0	0	0	112.9	S873 F1011 N1015	S873-P1013 WeakPolarHBondContact O-CD 3.33Å; S873-P1013 WeakPolarHBondContact OG-CG 3.38Å; F1011-P1013 HydrophobicContact CE1-CB 3.93Å; F1011-P1013 HydrophobicContact CE1-CG 4.29Å; F1011-P1013 HydrophobicContact CZ-CB 4.28Å; P1013-N1015 VanDerWaalsContact C-N 3.32Å; P1013-N1015 PolarHBondContact O-N 2.86Å
1014	R	72	Confident	79.7	Confident	176 Å²	176	47 Å²	47	66%	0.664	23%	0.229	S	C	*	.	S	Bend	trans	-77.2	-12.1	179	-74.4	-173	174.6	-177.8	-2.1	114.3	R872	R872-R1014 VanDerWaalsContact NH1-C 3.27Å; R872-R1014 PolarHBondContact NH1-O 3.02Å
1015	N	80.8	Confident	78.9	Confident	48 Å²	48	47.9 Å²	47.9	26%	0.257	23%	0.23	S	C	.	.	S	Bend	trans	-91.8	153.3	174.2	58.2	-77.8	0	0	0	111.7	P1013 M1146 L1147 L1148	P1013-N1015 VanDerWaalsContact C-N 3.32Å; P1013-N1015 PolarHBondContact O-N 2.86Å; N1015-M1146 HydrophobicContact CB-CE 4.26Å; N1015-L1147 CarbonylContact C-O 3.55Å; N1015-L1147 VanDerWaalsContact CA-O 3.3Å; N1015-L1147 WeakPolarHBondContact CA-O 3.35Å; N1015-L1147 VanDerWaalsContact CB-O 3.29Å; N1015-L1147 WeakPolarHBondContact CB-O 3.19Å; N1015-L1148 HydrophobicContact CB-CD2 4.35Å
1016	L	82.6	Confident	77.5	Confident	9 Å²	9	54.9 Å²	54.9	5%	0.047	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-76	147.8	168.6	-58	-179.3	0	0	0	109.6	G871 R872 L1020 L1147 A1150	G871-L1016 CarbonylContact O-C 3.54Å; G871-L1016 VanDerWaalsContact O-CA 3.31Å; G871-L1016 WeakPolarHBondContact O-CA 3.16Å; R872-L1016 HydrophobicContact CG-CD2 4.23Å; L1016-L1020 HydrophobicContact CD1-CD2 3.85Å; L1016-L1147 HydrophobicContact CB-CB 4.36Å; L1016-L1147 HydrophobicContact CB-CD2 4.1Å; L1016-L1147 HydrophobicContact CB-CG 4.18Å; L1016-L1147 HydrophobicContact CD1-CD2 4Å; L1016-L1147 HydrophobicContact CD1-CG 4.12Å; L1016-L1147 PolarHBondContact N-O 2.87Å; L1016-A1150 HydrophobicContact CD1-CB 3.99Å
1017	C	81.7	Confident	76	Confident	18 Å²	18	58.5 Å²	58.5	12%	0.122	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-80.9	133.8	175	-70.5	0	0	0	0	111.2	G871 S873 I964	G871-C1017 PolarHBondContact O-N 2.89Å; S873-C1017 PolarHBondContact OG-SG 2.86Å; I964-C1017 HydrophobicContact CG2-CB 3.72Å
1018	L	84.7	Confident	74.5	Confident	46 Å²	46	62.1 Å²	62.1	24%	0.241	30%	0.3	C	S	.	.	S	Bend	trans	-99	146	168.3	-60.1	178.5	0	0	0	109.7	L1020 I1141 G1143 F1145 L1147	L1018-L1020 HydrophobicContact CD2-CB 4.12Å; L1018-I1141 HydrophobicContact CD2-CB 4.45Å; L1018-I1141 HydrophobicContact CD2-CG2 4.02Å; L1018-G1143 VanDerWaalsContact CD1-O 3.3Å; L1018-G1143 WeakPolarHBondContact CD1-O 3.38Å; L1018-F1145 HydrophobicContact CD1-CD1 3.65Å; L1018-F1145 HydrophobicContact CD1-CE1 3.38Å; L1018-F1145 HydrophobicContact CD1-CE2 4.38Å; L1018-F1145 HydrophobicContact CD1-CG 4.27Å; L1018-F1145 HydrophobicContact CD1-CZ 3.79Å; L1018-F1145 WeakPolarHBondContact CD1-O 2.88Å; L1018-F1145 HydrophobicContact CD2-CZ 4.46Å; L1018-L1147 HydrophobicContact CD2-CB 4.17Å; L1018-L1147 HydrophobicContact CD2-CD2 3.85Å; L1018-L1147 HydrophobicContact CG-CB 4.49Å
1019	P	86	Confident	73.2	Confident	74 Å²	74	61.2 Å²	61.2	48%	0.481	30%	0.298	S	S	.	.	S	Bend	cis	-67.8	138.9	-5.7	30.1	-35.3	0	0	0	111.7	Q966 I1141 N1142	Q966-P1019 PolarHBondContact NE2-O 2.84Å; P1019-I1141 WeakPolarHBondContact CA-O 3.45Å; P1019-N1142 HydrophobicContact CB-CB 4.31Å
1020	L	85.6	Confident	72.3	Confident	1 Å²	1	66 Å²	66	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	135.1	175.8	178.1	60.4	0	0	0	109.2	I870 G871 L1016 L1018 L1022 R1140 I1141 L1147 A1150	I870-L1020 HydrophobicContact CG2-CD1 4.22Å; G871-L1020 VanDerWaalsContact CA-CD1 3.41Å; L1016-L1020 HydrophobicContact CD1-CD2 3.85Å; L1018-L1020 HydrophobicContact CD2-CB 4.12Å; L1020-L1022 HydrophobicContact CD1-CD2 4.18Å; L1020-L1022 HydrophobicContact CD2-CD2 4.15Å; L1020-L1022 HydrophobicContact CD2-CG 4.44Å; L1020-L1022 HydrophobicContact CG-CD2 4.1Å; L1020-L1022 HydrophobicContact CG-CG 4.32Å; L1020-R1140 CarbonylContact O-C 3.48Å; L1020-R1140 WeakPolarHBondContact O-CA 3.29Å; L1020-I1141 HydrophobicContact CB-CB 4.4Å; L1020-I1141 HydrophobicContact CD2-CD1 4.3Å; L1020-I1141 PolarHBondContact N-O 2.92Å; L1020-I1141 PolarHBondContact O-N 2.93Å; L1020-L1147 HydrophobicContact CB-CD2 4.48Å; L1020-L1147 HydrophobicContact CD2-CD2 3.53Å; L1020-A1150 HydrophobicContact CD2-CB 4.06Å
1021	T	84	Confident	71.4	Confident	15 Å²	15	65.1 Å²	65.1	9%	0.092	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.9	170.4	-53.3	0	0	0	0	110.7	S967 F968 H1138 I1139 R1140	S967-T1021 WeakPolarHBondContact CB-O 3.29Å; S967-T1021 PolarHBondContact OG-O 2.81Å; S967-T1021 VanDerWaalsContact OG-O 3.11Å; F968-T1021 HydrophobicContact CD2-CG2 4.25Å; F968-T1021 HydrophobicContact CE2-CG2 3.7Å; T1021-H1138 HydrophobicContact CG2-CB 4.11Å; T1021-I1139 WeakPolarHBondContact CA-O 3.23Å; T1021-R1140 HydrophobicContact CG2-CG 4.25Å
1022	L	80.6	Confident	71.1	Confident	23 Å²	23	61.6 Å²	61.6	12%	0.12	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120.4	177	-56.9	178.1	0	0	0	108.4	I870 L1020 L1034 H1138 I1139 I1141 A1150 L1152	I870-L1022 HydrophobicContact CG2-CD2 3.95Å; L1020-L1022 HydrophobicContact CD1-CD2 4.18Å; L1020-L1022 HydrophobicContact CD2-CD2 4.15Å; L1020-L1022 HydrophobicContact CD2-CG 4.44Å; L1020-L1022 HydrophobicContact CG-CD2 4.1Å; L1020-L1022 HydrophobicContact CG-CG 4.32Å; L1022-L1034 HydrophobicContact CD1-CD1 4.4Å; L1022-H1138 CarbonylContact O-C 3.58Å; L1022-H1138 WeakPolarHBondContact O-CA 3.29Å; L1022-H1138 WeakPolarHBondContact O-CB 3.22Å; L1022-I1139 PolarHBondContact N-O 2.93Å; L1022-I1139 PolarHBondContact O-N 2.99Å; L1022-I1141 HydrophobicContact CD1-CD1 4.38Å; L1022-A1150 HydrophobicContact CD1-CB 4.35Å; L1022-L1152 HydrophobicContact CB-CD1 4.4Å; L1022-L1152 HydrophobicContact CD1-CD1 4.28Å
1023	H	73.7	Confident	71.4	Confident	88 Å²	88	59.6 Å²	59.6	41%	0.407	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	140.3	175.3	-176.2	-110.7	0	0	0	110.5	S967 F968 K1025 S1137	S967-H1023 PolarHBondContact OG-N 3.32Å; F968-H1023 HydrophobicContact CE1-CB 3.78Å; F968-H1023 AromaticContact CE1-CD2 3.3Å; F968-H1023 WeakPolarHBondContact CE1-CD2 3.45Å; F968-H1023 AromaticContact CE1-CG 3.54Å; F968-H1023 AromaticContact CE1-NE2 3.96Å; F968-H1023 HydrophobicContact CE2-CB 4.45Å; F968-H1023 HydrophobicContact CZ-CB 3.75Å; F968-H1023 AromaticContact CZ-CD2 3.38Å; F968-H1023 WeakPolarHBondContact CZ-CD2 3.47Å; F968-H1023 AromaticContact CZ-CG 3.78Å; H1023-K1025 PolarHBondContact O-N 2.87Å; H1023-S1137 PolarHBondContact CD2-O 2.65Å
1024	M	69.3	Low	72	Confident	11 Å²	11	58.7 Å²	58.7	5%	0.054	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-77.2	120.3	172.4	-51.4	-48.1	-64.1	0	0	108.9	F1028 A1031 L1136 S1137 I1139 L1152	M1024-F1028 HydrophobicContact CE-CB 4.36Å; M1024-F1028 WeakPolarHBondContact CE-O 3.29Å; M1024-A1031 HydrophobicContact CE-CB 3.54Å; M1024-L1136 HydrophobicContact CE-CD2 4.36Å; M1024-L1136 HydrophobicContact CG-CB 4.35Å; M1024-L1136 HydrophobicContact CG-CD2 4.12Å; M1024-L1136 HydrophobicContact CG-CG 3.89Å; M1024-L1136 VanDerWaalsContact CG-O 3.23Å; M1024-L1136 WeakPolarHBondContact CG-O 3.41Å; M1024-L1136 HydrophobicContact SD-CD2 3.97Å; M1024-L1136 HydrophobicContact SD-CG 4.31Å; M1024-S1137 PolarHBondContact N-O 3.39Å; M1024-S1137 VanDerWaalsContact N-O 3.08Å; M1024-I1139 HydrophobicContact SD-CD1 4.35Å; M1024-L1152 HydrophobicContact CE-CD1 4.18Å; M1024-L1152 HydrophobicContact SD-CD1 4.03Å
1025	K	61.8	Low	72.7	Confident	65 Å²	65	50.5 Å²	50.5	28%	0.283	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-66.1	149.1	160.9	-78.3	-172.2	171.7	-166.2	0	108.5	H1023 E1027 F1028 S1029	H1023-K1025 PolarHBondContact O-N 2.87Å; K1025-E1027 PolarHBondContact O-N 3.43Å; K1025-F1028 HydrophobicContact CB-CD2 3.88Å; K1025-F1028 CarbonylContact O-C 3.5Å; K1025-F1028 WeakPolarHBondContact O-CA 3.3Å; K1025-F1028 PolarHBondContact O-N 3.46Å; K1025-S1029 PolarHBondContact O-N 2.86Å
1026	D	52.6	Low	73.3	Confident	148 Å²	148	48.2 Å²	48.2	79%	0.791	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-58.8	-34.2	-175.3	-63.4	-62.3	0	0	0	112.9	F1028 S1029	D1026-F1028 VanDerWaalsContact C-N 3.27Å; D1026-F1028 PolarHBondContact O-N 3.19Å; D1026-S1029 WeakPolarHBondContact O-CB 3.38Å; D1026-S1029 PolarHBondContact O-N 3.43Å; D1026-S1029 PolarHBondContact O-OG 2.7Å
1027	E	48.7	Very low	73.6	Confident	146 Å²	146	51 Å²	51	68%	0.682	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-61.7	-31.6	172.6	-62.3	161.3	155.1	0	0	112.8	K1025	K1025-E1027 PolarHBondContact O-N 3.43Å
1028	F	50.6	Low	74	Confident	86 Å²	86	50.3 Å²	50.3	38%	0.377	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-95.3	15.5	-178.1	-69.6	-101.1	0	0	0	112.8	M1024 K1025 D1026 R1030 A1031	M1024-F1028 HydrophobicContact CE-CB 4.36Å; M1024-F1028 WeakPolarHBondContact CE-O 3.29Å; K1025-F1028 HydrophobicContact CB-CD2 3.88Å; K1025-F1028 CarbonylContact O-C 3.5Å; K1025-F1028 WeakPolarHBondContact O-CA 3.3Å; K1025-F1028 PolarHBondContact O-N 3.46Å; D1026-F1028 VanDerWaalsContact C-N 3.27Å; D1026-F1028 PolarHBondContact O-N 3.19Å; F1028-R1030 PolarHBondContact O-N 2.84Å; F1028-A1031 PolarHBondContact O-N 3.3Å; F1028-A1031 VanDerWaalsContact O-N 3.08Å
1029	S	51.7	Low	74.2	Confident	39 Å²	39	54 Å²	54	27%	0.273	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	3.9	176.1	54.8	0	0	0	0	115.2	K1025 D1026 L1133 Q1134	K1025-S1029 PolarHBondContact O-N 2.86Å; D1026-S1029 WeakPolarHBondContact O-CB 3.38Å; D1026-S1029 PolarHBondContact O-N 3.43Å; D1026-S1029 PolarHBondContact O-OG 2.7Å; S1029-L1133 CarbonylContact O-C 3.58Å; S1029-Q1134 WeakPolarHBondContact O-CA 3.35Å; S1029-Q1134 PolarHBondContact O-N 3.02Å
1030	R	58	Low	74.3	Confident	190 Å²	190	50.9 Å²	50.9	72%	0.717	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.3	11.9	177.4	-55.9	-177.2	-175.3	-178.9	2.3	114.1	F1028 N1032 L1154	F1028-R1030 PolarHBondContact O-N 2.84Å; R1030-N1032 PolarHBondContact O-N 2.84Å; R1030-N1032 PolarHBondContact O-OD1 3.4Å; R1030-N1032 VanDerWaalsContact O-OD1 3.12Å; R1030-L1154 HydrophobicContact CB-CD2 3.8Å; R1030-L1154 WeakPolarHBondContact O-CD2 3.35Å
1031	A	60.3	Low	74.2	Confident	5 Å²	5	53.2 Å²	53.2	4%	0.041	26%	0.255	C	S	.	.			trans	-61.5	104.9	-176.4	0	0	0	0	0	111.8	M1024 F1028 L1152	M1024-A1031 HydrophobicContact CE-CB 3.54Å; F1028-A1031 PolarHBondContact O-N 3.3Å; F1028-A1031 VanDerWaalsContact O-N 3.08Å; A1031-L1152 HydrophobicContact CB-CB 4.48Å; A1031-L1152 HydrophobicContact CB-CD2 4.39Å
1032	N	73.6	Confident	74.1	Confident	38 Å²	38	55.3 Å²	55.3	20%	0.203	27%	0.274	C	S	.	.			trans	-81.1	-26.6	-177.1	-71.8	-18.5	0	0	0	112.2	R1030 W1108 L1133 Q1153 D1155	R1030-N1032 PolarHBondContact O-N 2.84Å; R1030-N1032 PolarHBondContact O-OD1 3.4Å; R1030-N1032 VanDerWaalsContact O-OD1 3.12Å; N1032-W1108 WeakPolarHBondContact CB-O 3.48Å; N1032-W1108 PolarHBondContact O-N 2.96Å; N1032-L1133 WeakPolarHBondContact OD1-CD1 3.38Å; N1032-Q1153 PolarHBondContact N-O 3.02Å; N1032-D1155 HydrophobicContact CB-CB 4.27Å
1033	I	84.5	Confident	74.2	Confident	6 Å²	6	60.4 Å²	60.4	3%	0.031	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128	-167.9	-65.8	-178.2	0	0	0	111.5	N1035 K1105 F1106 I1107 L1152 Q1153 D1155	I1033-N1035 WeakPolarHBondContact CG2-OD1 3.38Å; I1033-K1105 HydrophobicContact CG2-CD 4.47Å; I1033-K1105 VanDerWaalsContact CG2-CE 3.43Å; I1033-K1105 HydrophobicContact CG2-CG 4.39Å; I1033-F1106 WeakPolarHBondContact CA-O 3.31Å; I1033-I1107 HydrophobicContact CD1-CG1 4.44Å; I1033-I1107 HydrophobicContact CD1-CG2 4.43Å; I1033-I1107 HydrophobicContact CG1-CB 4.38Å; I1033-I1107 HydrophobicContact CG1-CG1 4.12Å; I1033-I1107 HydrophobicContact CG1-CG2 4.02Å; I1033-L1152 WeakPolarHBondContact O-CA 3.12Å; I1033-Q1153 HydrophobicContact CB-CB 3.86Å; I1033-Q1153 HydrophobicContact CG2-CB 3.95Å; I1033-Q1153 PolarHBondContact N-O 2.74Å; I1033-Q1153 PolarHBondContact O-N 2.93Å; I1033-D1155 VanDerWaalsContact CD1-OD1 3.28Å; I1033-D1155 WeakPolarHBondContact CD1-OD1 3.38Å
1034	L	88.4	Confident	74.9	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	116.3	166.4	174.8	70.9	0	0	0	109.5	L1022 L1036 I1049 Y1051 K1105 F1106 I1139 E1151 L1152	L1022-L1034 HydrophobicContact CD1-CD1 4.4Å; L1034-L1036 HydrophobicContact CD1-CD2 3.86Å; L1034-L1036 HydrophobicContact CD2-CD2 4.27Å; L1034-L1036 HydrophobicContact CD2-CG 4.49Å; L1034-L1036 HydrophobicContact CG-CD2 3.97Å; L1034-L1036 HydrophobicContact CG-CG 4.29Å; L1034-I1049 HydrophobicContact CD2-CG2 4.07Å; L1034-Y1051 WeakPolarHBondContact CD2-OH 3.49Å; L1034-K1105 WeakPolarHBondContact O-CA 3.12Å; L1034-F1106 HydrophobicContact CB-CB 4.3Å; L1034-F1106 HydrophobicContact CB-CD2 4.5Å; L1034-F1106 HydrophobicContact CD2-CD2 4.17Å; L1034-F1106 HydrophobicContact CG-CD2 4.38Å; L1034-F1106 PolarHBondContact N-O 3.14Å; L1034-F1106 PolarHBondContact O-N 3.23Å; L1034-I1139 HydrophobicContact CD2-CG2 4.22Å; L1034-E1151 WeakPolarHBondContact CA-O 3.15Å; L1034-L1152 HydrophobicContact CB-CD2 4.12Å; L1034-L1152 HydrophobicContact CD1-CD2 3.78Å; L1034-L1152 HydrophobicContact CD1-CG 4.18Å
1035	N	88.6	Confident	75.8	Confident	3 Å²	3	61 Å²	61	2%	0.016	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	125.9	174	-63.7	-33.5	0	0	0	110	Y833 I1033 K1105 A1150 E1151 Q1153	Y833-N1035 HydrophobicContact CE1-CB 4.27Å; I1033-N1035 WeakPolarHBondContact CG2-OD1 3.38Å; N1035-K1105 WeakPolarHBondContact OD1-CD 3.23Å; N1035-K1105 WeakPolarHBondContact OD1-CE 3.34Å; N1035-K1105 WeakPolarHBondContact OD1-CG 3.35Å; N1035-A1150 WeakPolarHBondContact O-CA 3.29Å; N1035-E1151 HydrophobicContact CB-CB 4.35Å; N1035-E1151 PolarHBondContact N-O 2.81Å; N1035-E1151 PolarHBondContact O-N 2.82Å; N1035-Q1153 PolarHBondContact ND2-NE2 2.81Å; N1035-Q1153 VanDerWaalsContact ND2-NE2 3.12Å; N1035-Q1153 PolarHBondContact ND2-OE1 2.93Å
1036	L	91.4	Very high	77.2	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.3	173.5	-52.6	-176	0	0	0	110.4	L1034 T1038 I1049 M1104 F1106 I1141 L1147 A1150	L1034-L1036 HydrophobicContact CD1-CD2 3.86Å; L1034-L1036 HydrophobicContact CD2-CD2 4.27Å; L1034-L1036 HydrophobicContact CD2-CG 4.49Å; L1034-L1036 HydrophobicContact CG-CD2 3.97Å; L1034-L1036 HydrophobicContact CG-CG 4.29Å; L1036-T1038 HydrophobicContact CB-CG2 3.94Å; L1036-I1049 HydrophobicContact CD1-CD1 3.65Å; L1036-I1049 HydrophobicContact CD1-CG1 4.37Å; L1036-M1104 HydrophobicContact CB-CB 4.33Å; L1036-M1104 PolarHBondContact N-O 3.45Å; L1036-M1104 PolarHBondContact O-N 2.88Å; L1036-F1106 HydrophobicContact CD1-CE2 4Å; L1036-F1106 HydrophobicContact CG-CE2 4.33Å; L1036-I1141 HydrophobicContact CD1-CD1 4.3Å; L1036-I1141 HydrophobicContact CD2-CD1 3.6Å; L1036-L1147 HydrophobicContact CB-CD1 4.17Å; L1036-L1147 HydrophobicContact CD2-CD1 4.27Å; L1036-A1150 HydrophobicContact CD2-CB 3.62Å
1037	L	89.5	Confident	79.1	Confident	66 Å²	66	56.3 Å²	56.3	35%	0.346	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	126.2	166.9	-174.3	69.2	0	0	0	108.5	K1103 L1148 N1149	L1037-K1103 HydrophobicContact CD1-CG 4.12Å; L1037-L1148 HydrophobicContact CB-CB 4.37Å; L1037-L1148 HydrophobicContact CD2-CB 4.12Å; L1037-L1148 HydrophobicContact CD2-CD1 4.48Å; L1037-L1148 HydrophobicContact CG-CB 4.09Å; L1037-L1148 HydrophobicContact CG-CD1 4.3Å; L1037-L1148 WeakPolarHBondContact O-CA 3.38Å; L1037-L1148 WeakPolarHBondContact O-CB 3.19Å; L1037-L1148 PolarHBondContact O-N 2.81Å; L1037-N1149 HydrophobicContact CB-CB 3.98Å; L1037-N1149 PolarHBondContact N-O 2.84Å; L1037-N1149 PolarHBondContact O-N 3.22Å
1038	T	90.4	Very high	81.2	Confident	4 Å²	4	51 Å²	51	3%	0.025	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	155.7	-163.4	63	0	0	0	0	112	L1036 L1040 I1101 C1102 M1104 F1145 M1146 L1147	L1036-T1038 HydrophobicContact CB-CG2 3.94Å; T1038-L1040 HydrophobicContact CG2-CD1 4.48Å; T1038-L1040 WeakPolarHBondContact OG1-CD1 3.36Å; T1038-I1101 PolarHBondContact OG1-O 3Å; T1038-C1102 PolarHBondContact N-O 2.9Å; T1038-C1102 WeakPolarHBondContact O-CA 3.17Å; T1038-C1102 VanDerWaalsContact O-O 3.12Å; T1038-C1102 PolarHBondContact OG1-O 2.86Å; T1038-M1104 HydrophobicContact CG2-CE 4.44Å; T1038-F1145 HydrophobicContact CG2-CD2 4.22Å; T1038-F1145 HydrophobicContact CG2-CE2 3.81Å; T1038-M1146 CarbonylContact C-O 3.46Å; T1038-M1146 WeakPolarHBondContact CA-O 3.13Å; T1038-L1147 HydrophobicContact CG2-CD1 4.02Å
1039	K	88.2	Confident	83.2	Confident	124 Å²	124	46.9 Å²	46.9	54%	0.539	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	104.4	165.7	178.1	177.3	-178.5	176.6	0	108.5	M1146 L1148	K1039-M1146 HydrophobicContact CB-CB 4.19Å; K1039-M1146 HydrophobicContact CD-SD 4.25Å; K1039-M1146 PolarHBondContact N-O 3.01Å; K1039-M1146 WeakPolarHBondContact O-CB 3.23Å; K1039-M1146 PolarHBondContact O-N 3.26Å; K1039-L1148 HydrophobicContact CB-CD1 4.2Å
1040	L	88.8	Confident	85.1	Confident	9 Å²	9	46.6 Å²	46.6	5%	0.047	23%	0.226	C	C	.	.			trans	-91.4	157.1	176.5	-78.2	71.1	0	0	0	110	T1038 T1044 V1047 F1070 P1098 M1104 F1145	T1038-L1040 HydrophobicContact CG2-CD1 4.48Å; T1038-L1040 WeakPolarHBondContact OG1-CD1 3.36Å; L1040-T1044 HydrophobicContact CB-CG2 4.46Å; L1040-T1044 HydrophobicContact CD2-CG2 3.9Å; L1040-T1044 HydrophobicContact CG-CG2 3.96Å; L1040-V1047 HydrophobicContact CD2-CG2 4.23Å; L1040-F1070 HydrophobicContact CD2-CE2 3.61Å; L1040-F1070 HydrophobicContact CD2-CZ 3.57Å; L1040-P1098 HydrophobicContact CB-CB 4.04Å; L1040-P1098 VanDerWaalsContact CB-O 3.27Å; L1040-P1098 WeakPolarHBondContact CB-O 3.41Å; L1040-P1098 HydrophobicContact CD2-CB 4.11Å; L1040-M1104 HydrophobicContact CD1-CE 3.72Å; L1040-M1104 HydrophobicContact CD2-CE 3.97Å; L1040-F1145 HydrophobicContact CD1-CB 4.31Å; L1040-F1145 HydrophobicContact CD1-CD2 4.11Å; L1040-F1145 HydrophobicContact CD1-CG 4.5Å; L1040-F1145 HydrophobicContact CG-CB 4.02Å
1041	T	84.5	Confident	86.5	Confident	50 Å²	50	37.7 Å²	37.7	31%	0.307	19%	0.192	S	C	.	.			trans	-120.3	167.5	175.6	65	0	0	0	0	110.4	D1043 T1044 P1098	T1041-D1043 PolarHBondContact O-N 3.44Å; T1041-D1043 VanDerWaalsContact O-N 3.08Å; T1041-D1043 PolarHBondContact OG1-N 2.98Å; T1041-T1044 PolarHBondContact N-OG1 3.41Å; T1041-T1044 VanDerWaalsContact N-OG1 3.09Å; T1041-T1044 WeakPolarHBondContact O-CB 3.46Å; T1041-T1044 PolarHBondContact O-N 2.82Å; T1041-T1044 PolarHBondContact O-OG1 2.8Å; T1041-P1098 VanDerWaalsContact O-CB 3.26Å; T1041-P1098 WeakPolarHBondContact O-CB 3.48Å
1042	A	80.9	Confident	87.6	Confident	58 Å²	58	37.5 Å²	37.5	48%	0.479	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-23.6	171.3	0	0	0	0	0	113.6	E1099	A1042-E1099 HydrophobicContact CB-CG 4.3Å; A1042-E1099 WeakPolarHBondContact CB-OE1 3.37Å; A1042-E1099 VanDerWaalsContact N-CG 3.26Å; A1042-E1099 PolarHBondContact N-OE1 2.88Å; A1042-E1099 VanDerWaalsContact N-OE1 3.16Å
1043	D	83.4	Confident	88	Confident	130 Å²	130	36.1 Å²	36.1	70%	0.695	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-10.2	178.1	-56.9	-57	0	0	0	113.7	T1041 K1045	T1041-D1043 PolarHBondContact O-N 3.44Å; T1041-D1043 VanDerWaalsContact O-N 3.08Å; T1041-D1043 PolarHBondContact OG1-N 2.98Å; D1043-K1045 PolarHBondContact O-N 3.04Å
1044	T	87.4	Confident	87.5	Confident	2 Å²	2	42 Å²	42	1%	0.012	21%	0.208	C	C	.	.			trans	-66	100.2	176.2	-61.7	0	0	0	0	110.6	L1040 T1041 V1047 F1070 D1144 F1145	L1040-T1044 HydrophobicContact CB-CG2 4.46Å; L1040-T1044 HydrophobicContact CD2-CG2 3.9Å; L1040-T1044 HydrophobicContact CG-CG2 3.96Å; T1041-T1044 PolarHBondContact N-OG1 3.41Å; T1041-T1044 VanDerWaalsContact N-OG1 3.09Å; T1041-T1044 WeakPolarHBondContact O-CB 3.46Å; T1041-T1044 PolarHBondContact O-N 2.82Å; T1041-T1044 PolarHBondContact O-OG1 2.8Å; T1044-V1047 HydrophobicContact CG2-CG2 3.94Å; T1044-F1070 HydrophobicContact CG2-CD2 4.27Å; T1044-F1070 HydrophobicContact CG2-CE2 4.2Å; T1044-F1070 WeakPolarHBondContact O-CD2 3.07Å; T1044-D1144 WeakPolarHBondContact CA-O 3.3Å; T1044-D1144 WeakPolarHBondContact CB-O 3.3Å; T1044-D1144 WeakPolarHBondContact CG2-O 3.45Å; T1044-D1144 PolarHBondContact OG1-O 3.35Å; T1044-F1145 HydrophobicContact CG2-CB 3.96Å
1045	K	89.5	Confident	86.3	Confident	110 Å²	110	43 Å²	43	48%	0.478	21%	0.214	S	C	.	.			trans	-76.1	-46.5	-179.6	-70.9	162.3	-172.8	163	0	112.9	D1043 F1070 E1071	D1043-K1045 PolarHBondContact O-N 3.04Å; K1045-F1070 PolarHBondContact O-N 3.41Å; K1045-E1071 HydrophobicContact CB-CG 3.74Å; K1045-E1071 HydrophobicContact CG-CG 3.87Å
1046	R	91	Very high	84.9	Confident	114 Å²	114	49.5 Å²	49.5	43%	0.43	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	138.9	-170.4	-58.5	-177.2	-169.8	-174.6	5.2	111.6	L1067 L1068 E1071 G1143 D1144	R1046-L1067 HydrophobicContact CB-CD1 4.17Å; R1046-L1068 VanDerWaalsContact CA-O 3.29Å; R1046-L1068 WeakPolarHBondContact CA-O 3.15Å; R1046-E1071 IonicContact CZ-OE2 3.27Å; R1046-E1071 IonicContact NE-OE2 3.91Å; R1046-E1071 PolarHBondContact NE-OE2 2.83Å; R1046-E1071 IonicContact NH2-OE2 2.62Å; R1046-E1071 PolarHBondContact NH2-OE2 2.9Å; R1046-G1143 WeakPolarHBondContact O-CA 3.3Å; R1046-D1144 PolarHBondContact O-N 3.17Å
1047	V	92.6	Very high	83.3	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.4	167.5	176.4	0	0	0	0	107.8	L1040 T1044 L1067 L1068 F1070 M1104 F1145	L1040-V1047 HydrophobicContact CD2-CG2 4.23Å; T1044-V1047 HydrophobicContact CG2-CG2 3.94Å; V1047-L1067 WeakPolarHBondContact O-CA 3.23Å; V1047-L1068 HydrophobicContact CB-CB 4.28Å; V1047-L1068 PolarHBondContact N-O 3.05Å; V1047-L1068 PolarHBondContact O-N 3.23Å; V1047-F1070 HydrophobicContact CG2-CE2 4.17Å; V1047-M1104 HydrophobicContact CG1-CE 4.49Å; V1047-M1104 HydrophobicContact CG1-SD 4.46Å; V1047-M1104 HydrophobicContact CG2-CE 4.48Å; V1047-F1145 HydrophobicContact CB-CD1 4.43Å; V1047-F1145 HydrophobicContact CB-CE1 4.25Å; V1047-F1145 HydrophobicContact CG1-CD1 4.29Å; V1047-F1145 HydrophobicContact CG1-CE1 3.67Å; V1047-F1145 HydrophobicContact CG1-CZ 3.84Å; V1047-F1145 HydrophobicContact CG2-CB 4.5Å; V1047-F1145 HydrophobicContact CG2-CD1 3.62Å; V1047-F1145 HydrophobicContact CG2-CE1 3.9Å; V1047-F1145 HydrophobicContact CG2-CG 4.01Å
1048	T	93	Very high	81.7	Confident	34 Å²	34	55 Å²	55	21%	0.209	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128	-173.3	-44.7	0	0	0	0	109.7	Q1065 N1142	T1048-Q1065 HydrophobicContact CG2-CG 3.73Å; T1048-N1142 PolarHBondContact N-O 2.75Å; T1048-N1142 PolarHBondContact O-N 3.14Å
1049	I	92.3	Very high	80.1	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.1	176.1	-57	167.7	0	0	0	107.1	L1034 L1036 Y1051 Q1065 I1066 F1106 I1139 R1140 I1141	L1034-I1049 HydrophobicContact CD2-CG2 4.07Å; L1036-I1049 HydrophobicContact CD1-CD1 3.65Å; L1036-I1049 HydrophobicContact CD1-CG1 4.37Å; I1049-Y1051 HydrophobicContact CG2-CD2 4.24Å; I1049-Y1051 HydrophobicContact CG2-CE2 3.8Å; I1049-Q1065 CarbonylContact O-C 3.57Å; I1049-Q1065 WeakPolarHBondContact O-CA 3.49Å; I1049-I1066 HydrophobicContact CB-CB 4.37Å; I1049-I1066 PolarHBondContact N-O 3Å; I1049-I1066 PolarHBondContact O-N 3.13Å; I1049-F1106 HydrophobicContact CD1-CD2 4.15Å; I1049-F1106 HydrophobicContact CD1-CE1 4.03Å; I1049-F1106 HydrophobicContact CD1-CE2 3.34Å; I1049-F1106 HydrophobicContact CD1-CZ 3.27Å; I1049-I1139 HydrophobicContact CG2-CG2 4.01Å; I1049-R1140 CarbonylContact C-O 3.57Å; I1049-R1140 WeakPolarHBondContact CA-O 3.36Å; I1049-I1141 HydrophobicContact CG1-CG1 4.45Å; I1049-I1141 HydrophobicContact CG2-CG1 4.46Å
1050	E	90.1	Very high	79	Confident	33 Å²	33	58.9 Å²	58.9	15%	0.154	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	111.7	-173.8	-174.6	-168.7	-171.6	0	0	109.5	V1052 S1063 M1064 I1139 R1140	E1050-V1052 HydrophobicContact CG-CG2 3.76Å; E1050-S1063 VanDerWaalsContact OE1-CB 3.28Å; E1050-S1063 WeakPolarHBondContact OE1-CB 3.43Å; E1050-S1063 PolarHBondContact OE1-OG 2.83Å; E1050-M1064 WeakPolarHBondContact CA-O 3.33Å; E1050-I1139 CarbonylContact O-C 3.45Å; E1050-I1139 WeakPolarHBondContact O-CA 3.36Å; E1050-R1140 HydrophobicContact CB-CB 4.27Å; E1050-R1140 VanDerWaalsContact CD-NH1 3.31Å; E1050-R1140 PolarHBondContact N-O 2.89Å; E1050-R1140 PolarHBondContact O-N 2.87Å; E1050-R1140 IonicContact OE1-NH1 2.61Å; E1050-R1140 PolarHBondContact OE1-NH1 3.1Å; E1050-R1140 WeakPolarHBondContact OE2-CD 3.3Å; E1050-R1140 IonicContact OE2-CZ 2.71Å; E1050-R1140 IonicContact OE2-NE 3.22Å; E1050-R1140 IonicContact OE2-NH1 2.64Å; E1050-R1140 PolarHBondContact OE2-NH1 2.68Å
1051	Y	87.5	Confident	78	Confident	3 Å²	3	63.3 Å²	63.3	1%	0.012	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	114.5	171.7	-71.7	-102.2	0	0	0	108.3	L1034 I1049 S1063 M1064 I1066 W1108 L1136 I1139	L1034-Y1051 WeakPolarHBondContact CD2-OH 3.49Å; I1049-Y1051 HydrophobicContact CG2-CD2 4.24Å; I1049-Y1051 HydrophobicContact CG2-CE2 3.8Å; Y1051-S1063 CarbonylContact O-C 3.49Å; Y1051-S1063 WeakPolarHBondContact O-CA 3.39Å; Y1051-S1063 WeakPolarHBondContact O-CB 3.42Å; Y1051-M1064 PolarHBondContact N-O 2.63Å; Y1051-M1064 PolarHBondContact O-N 2.9Å; Y1051-I1066 HydrophobicContact CD2-CD1 4.46Å; Y1051-I1066 HydrophobicContact CE2-CD1 3.83Å; Y1051-W1108 HydrophobicContact CD1-CZ2 4.39Å; Y1051-W1108 AromaticContact CD1-NE1 3.9Å; Y1051-W1108 HydrophobicContact CD2-CZ2 4.34Å; Y1051-W1108 AromaticContact CE1-NE1 3.3Å; Y1051-W1108 VanDerWaalsContact CE1-NE1 3.3Å; Y1051-W1108 HydrophobicContact CE2-CZ2 4.5Å; Y1051-W1108 HydrophobicContact CG-CZ2 4.3Å; Y1051-W1108 AromaticContact CZ-NE1 3.4Å; Y1051-L1136 HydrophobicContact CD1-CD1 3.91Å; Y1051-L1136 HydrophobicContact CD1-CD2 3.89Å; Y1051-L1136 HydrophobicContact CE1-CD2 4.41Å; Y1051-L1136 HydrophobicContact CG-CD1 4.36Å; Y1051-I1139 HydrophobicContact CD1-CD1 3.92Å; Y1051-I1139 HydrophobicContact CD1-CG1 3.73Å; Y1051-I1139 HydrophobicContact CE1-CD1 3.58Å; Y1051-I1139 HydrophobicContact CE1-CG1 3.91Å; Y1051-I1139 HydrophobicContact CG-CG1 4.32Å
1052	V	84.9	Confident	77.5	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.012	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	109.7	-171.7	-172.7	0	0	0	0	111.1	E1050 F1061 S1137 H1138	E1050-V1052 HydrophobicContact CG-CG2 3.76Å; V1052-F1061 HydrophobicContact CG1-CB 3.81Å; V1052-F1061 HydrophobicContact CG1-CD1 3.78Å; V1052-F1061 HydrophobicContact CG1-CG 4.07Å; V1052-S1137 PolarHBondContact O-N 2.91Å; V1052-S1137 PolarHBondContact O-OG 3.26Å; V1052-H1138 WeakPolarHBondContact CB-O 3.39Å; V1052-H1138 WeakPolarHBondContact CG1-NE2 3.22Å; V1052-H1138 PolarHBondContact N-O 3.04Å; V1052-H1138 PolarHBondContact O-N 3.02Å
1053	Y	81	Confident	77.5	Confident	8 Å²	8	59.2 Å²	59.2	3%	0.031	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	138.1	-178.8	-56.1	-92.3	0	0	0	110.8	F1061 V1062 M1064 Y1131 F1135 L1136	Y1053-F1061 WeakPolarHBondContact O-CA 3.39Å; Y1053-F1061 WeakPolarHBondContact O-CD1 3.44Å; Y1053-V1062 PolarHBondContact N-O 3.35Å; Y1053-V1062 PolarHBondContact O-N 3.03Å; Y1053-M1064 HydrophobicContact CE2-CB 3.99Å; Y1053-Y1131 WeakPolarHBondContact CE1-O 3.37Å; Y1053-Y1131 HydrophobicContact CG-CG 4.39Å; Y1053-F1135 CarbonylContact C-O 3.51Å; Y1053-F1135 VanDerWaalsContact CA-O 3.29Å; Y1053-F1135 WeakPolarHBondContact CA-O 3.27Å; Y1053-L1136 HydrophobicContact CD1-CB 4.12Å; Y1053-L1136 HydrophobicContact CD1-CD1 4.38Å; Y1053-L1136 HydrophobicContact CE1-CB 4.04Å; Y1053-L1136 HydrophobicContact CE1-CD1 4.14Å
1054	K	73.5	Confident	77.6	Confident	130 Å²	130	53.9 Å²	53.9	57%	0.565	28%	0.284	S	S	*	.			trans	-103.3	113.2	175.1	-176.2	-171.1	174.2	-165.3	0	108.8	F1061 F1135	K1054-F1061 HydrophobicContact CB-CD1 4.12Å; K1054-F1061 HydrophobicContact CB-CE1 3.85Å; K1054-F1061 HydrophobicContact CG-CD1 4.48Å; K1054-F1061 HydrophobicContact CG-CE1 3.94Å; K1054-F1135 PolarHBondContact N-O 3.45Å
1055	P	63.8	Low	77.7	Confident	21 Å²	21	55.1 Å²	55.1	14%	0.136	29%	0.29	C	S	.	.			trans	-63.9	154.2	179	-20.6	32.4	0	0	0	112.5	S1057 S1058 E1060	P1055-S1057 VanDerWaalsContact C-N 3.32Å; P1055-S1058 WeakPolarHBondContact CB-OG 3.42Å; P1055-S1058 WeakPolarHBondContact CG-OG 3.39Å; P1055-E1060 WeakPolarHBondContact CD-O 3.01Å; P1055-E1060 WeakPolarHBondContact CG-O 3.32Å
1056	I	58.5	Low	77.7	Confident	141 Å²	141	49.9 Å²	49.9	72%	0.723	27%	0.267	S	S	*	.	S	Bend	trans	-66.8	-37.5	171.3	-54.3	161.1	0	0	0	110.8	F1135	I1056-F1135 HydrophobicContact CD1-CE1 3.63Å; I1056-F1135 HydrophobicContact CD1-CE2 4.42Å; I1056-F1135 HydrophobicContact CD1-CZ 3.51Å; I1056-F1135 HydrophobicContact CG1-CD1 4.08Å; I1056-F1135 HydrophobicContact CG1-CE1 3.48Å; I1056-F1135 VanDerWaalsContact CG1-CE1 3.48Å; I1056-F1135 HydrophobicContact CG1-CZ 3.88Å
1057	S	58.2	Low	77.7	Confident	119 Å²	119	45.4 Å²	45.4	83%	0.832	25%	0.251	S	S	*	.	S	Bend	trans	-123.1	-0.3	-159	52	0	0	0	0	115.6	P1055	P1055-S1057 VanDerWaalsContact C-N 3.32Å
1058	S	57	Low	77.6	Confident	63 Å²	63	45.4 Å²	45.4	44%	0.441	25%	0.251	S	S	.	.			trans	-136.6	152.1	174.6	61	0	0	0	0	111.3	P1055 E1060	P1055-S1058 WeakPolarHBondContact CB-OG 3.42Å; P1055-S1058 WeakPolarHBondContact CG-OG 3.39Å; S1058-E1060 PolarHBondContact O-N 2.89Å
1059	S	56.1	Low	77.5	Confident	115 Å²	115	44.3 Å²	44.3	80%	0.804	24%	0.244	S	C	*	.	S	Bend	trans	-78.1	8.7	179.8	49.7	0	0	0	0	114.1
1060	E	64.6	Low	77.4	Confident	95 Å²	95	44.8 Å²	44.8	44%	0.444	25%	0.246	S	C	.	.			trans	-114.1	105.1	-165.5	-56.7	-156.2	131.6	0	0	110.9	P1055 S1058 V1062	P1055-E1060 WeakPolarHBondContact CD-O 3.01Å; P1055-E1060 WeakPolarHBondContact CG-O 3.32Å; S1058-E1060 PolarHBondContact O-N 2.89Å; E1060-V1062 PolarHBondContact O-N 2.88Å
1061	F	67.4	Low	77.2	Confident	101 Å²	101	48.1 Å²	48.1	44%	0.443	26%	0.262	S	S	.	.			trans	-60.4	129.9	174.1	-61.2	-89	0	0	0	110.6	V1052 Y1053 K1054 H1138	V1052-F1061 HydrophobicContact CG1-CB 3.81Å; V1052-F1061 HydrophobicContact CG1-CD1 3.78Å; V1052-F1061 HydrophobicContact CG1-CG 4.07Å; Y1053-F1061 WeakPolarHBondContact O-CA 3.39Å; Y1053-F1061 WeakPolarHBondContact O-CD1 3.44Å; K1054-F1061 HydrophobicContact CB-CD1 4.12Å; K1054-F1061 HydrophobicContact CB-CE1 3.85Å; K1054-F1061 HydrophobicContact CG-CD1 4.48Å; K1054-F1061 HydrophobicContact CG-CE1 3.94Å; F1061-H1138 AromaticContact CD1-NE2 3.8Å; F1061-H1138 AromaticContact CE1-NE2 3.71Å
1062	V	75	Confident	77.2	Confident	16 Å²	16	51.4 Å²	51.4	10%	0.097	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	136.9	166.9	-178.7	0	0	0	0	107	Y1053 E1060 E1079 Y1131	Y1053-V1062 PolarHBondContact N-O 3.35Å; Y1053-V1062 PolarHBondContact O-N 3.03Å; E1060-V1062 PolarHBondContact O-N 2.88Å; V1062-E1079 VanDerWaalsContact CG1-CD 3.5Å; V1062-E1079 HydrophobicContact CG1-CG 3.69Å; V1062-E1079 WeakPolarHBondContact CG1-OE1 3.28Å; V1062-Y1131 HydrophobicContact CB-CD2 4.48Å; V1062-Y1131 HydrophobicContact CB-CE2 4.03Å; V1062-Y1131 HydrophobicContact CG1-CD2 4.18Å; V1062-Y1131 HydrophobicContact CG1-CE2 3.66Å; V1062-Y1131 HydrophobicContact CG2-CE1 4.49Å; V1062-Y1131 HydrophobicContact CG2-CE2 4.27Å
1063	S	81.4	Confident	77.2	Confident	7 Å²	7	51.9 Å²	51.9	5%	0.049	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	140.4	177.9	64.5	0	0	0	0	114.1	E1050 Y1051 E1079 I1080	E1050-S1063 VanDerWaalsContact OE1-CB 3.28Å; E1050-S1063 WeakPolarHBondContact OE1-CB 3.43Å; E1050-S1063 PolarHBondContact OE1-OG 2.83Å; Y1051-S1063 CarbonylContact O-C 3.49Å; Y1051-S1063 WeakPolarHBondContact O-CA 3.39Å; Y1051-S1063 WeakPolarHBondContact O-CB 3.42Å; S1063-E1079 WeakPolarHBondContact O-CA 3.38Å; S1063-I1080 PolarHBondContact N-O 2.88Å; S1063-I1080 PolarHBondContact O-N 3.36Å
1064	M	85.3	Confident	77.5	Confident	17 Å²	17	55.1 Å²	55.1	8%	0.084	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	119.7	173.4	-173.9	-72	-152.5	0	0	107.6	E1050 Y1051 Y1053 I1066 I1077 W1108 L1113 F1127	E1050-M1064 WeakPolarHBondContact CA-O 3.33Å; Y1051-M1064 PolarHBondContact N-O 2.63Å; Y1051-M1064 PolarHBondContact O-N 2.9Å; Y1053-M1064 HydrophobicContact CE2-CB 3.99Å; M1064-I1066 HydrophobicContact CE-CG1 4.03Å; M1064-I1066 HydrophobicContact SD-CG1 3.78Å; M1064-I1077 HydrophobicContact CE-CD1 4.42Å; M1064-I1077 HydrophobicContact CE-CG2 3.33Å; M1064-I1077 HydrophobicContact SD-CG2 3.9Å; M1064-W1108 HydrophobicContact CE-CH2 3.65Å; M1064-W1108 HydrophobicContact CE-CZ2 3.88Å; M1064-W1108 HydrophobicContact CG-CH2 4.19Å; M1064-W1108 HydrophobicContact SD-CH2 4.37Å; M1064-W1108 HydrophobicContact SD-CZ2 4.36Å; M1064-L1113 HydrophobicContact CE-CD2 3.4Å; M1064-L1113 VanDerWaalsContact CE-CD2 3.4Å; M1064-F1127 HydrophobicContact CE-CD2 4.21Å; M1064-F1127 HydrophobicContact CE-CE2 4.06Å
1065	Q	89	Confident	78.2	Confident	29 Å²	29	49 Å²	49	14%	0.136	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.6	-177.7	-176.3	177.1	94	0	0	111.6	T1048 I1049 I1077 Q1078 I1080	T1048-Q1065 HydrophobicContact CG2-CG 3.73Å; I1049-Q1065 CarbonylContact O-C 3.57Å; I1049-Q1065 WeakPolarHBondContact O-CA 3.49Å; Q1065-I1077 WeakPolarHBondContact O-CA 3.37Å; Q1065-Q1078 HydrophobicContact CB-CG 4.16Å; Q1065-Q1078 PolarHBondContact N-O 2.9Å; Q1065-Q1078 PolarHBondContact O-N 2.96Å; Q1065-I1080 HydrophobicContact CB-CD1 3.85Å; Q1065-I1080 HydrophobicContact CB-CG1 4.34Å; Q1065-I1080 HydrophobicContact CG-CD1 4.35Å; Q1065-I1080 VanDerWaalsContact NE2-CD1 3.34Å
1066	I	89.7	Confident	79.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.1	165.5	-44.7	173	0	0	0	107.7	I1049 Y1051 M1064 L1068 L1075 I1077 F1106 L1113	I1049-I1066 HydrophobicContact CB-CB 4.37Å; I1049-I1066 PolarHBondContact N-O 3Å; I1049-I1066 PolarHBondContact O-N 3.13Å; Y1051-I1066 HydrophobicContact CD2-CD1 4.46Å; Y1051-I1066 HydrophobicContact CE2-CD1 3.83Å; M1064-I1066 HydrophobicContact CE-CG1 4.03Å; M1064-I1066 HydrophobicContact SD-CG1 3.78Å; I1066-L1068 HydrophobicContact CG2-CD1 4.18Å; I1066-L1075 HydrophobicContact CG2-CD2 4.36Å; I1066-I1077 HydrophobicContact CB-CG1 4.37Å; I1066-I1077 HydrophobicContact CG1-CG1 4.26Å; I1066-I1077 HydrophobicContact CG2-CD1 4.43Å; I1066-I1077 HydrophobicContact CG2-CG1 4.01Å; I1066-F1106 HydrophobicContact CD1-CD1 3.51Å; I1066-F1106 HydrophobicContact CD1-CE1 3.82Å; I1066-F1106 HydrophobicContact CD1-CG 4.32Å; I1066-F1106 HydrophobicContact CG2-CE1 4.14Å; I1066-L1113 HydrophobicContact CD1-CD2 3.6Å; I1066-L1113 HydrophobicContact CG1-CD2 4.15Å
1067	L	91.1	Very high	80.7	Confident	19 Å²	19	42.4 Å²	42.4	10%	0.099	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	108.1	-177.7	172.5	62.2	0	0	0	109.9	R1046 V1047 N1069 I1076	R1046-L1067 HydrophobicContact CB-CD1 4.17Å; V1047-L1067 WeakPolarHBondContact O-CA 3.23Å; L1067-N1069 HydrophobicContact CG-CB 4.22Å; L1067-N1069 PolarHBondContact O-N 3.33Å; L1067-I1076 HydrophobicContact CB-CB 4.31Å; L1067-I1076 PolarHBondContact N-O 3.21Å; L1067-I1076 PolarHBondContact O-N 3.26Å
1068	L	90.9	Very high	82.1	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	109.6	167	-69.9	74.5	0	0	0	107.4	R1046 V1047 I1066 F1070 L1075 I1094 M1104 L1117	R1046-L1068 VanDerWaalsContact CA-O 3.29Å; R1046-L1068 WeakPolarHBondContact CA-O 3.15Å; V1047-L1068 HydrophobicContact CB-CB 4.28Å; V1047-L1068 PolarHBondContact N-O 3.05Å; V1047-L1068 PolarHBondContact O-N 3.23Å; I1066-L1068 HydrophobicContact CG2-CD1 4.18Å; L1068-F1070 HydrophobicContact CB-CE2 4.06Å; L1068-F1070 HydrophobicContact CB-CZ 4.1Å; L1068-F1070 HydrophobicContact CD2-CZ 4.03Å; L1068-L1075 HydrophobicContact CD1-CD1 4.2Å; L1068-L1075 HydrophobicContact CG-CD1 4.12Å; L1068-L1075 HydrophobicContact CG-CG 4.41Å; L1068-I1094 HydrophobicContact CB-CD1 4.03Å; L1068-I1094 HydrophobicContact CG-CD1 4.33Å; L1068-M1104 HydrophobicContact CD2-CE 4.04Å; L1068-M1104 HydrophobicContact CD2-SD 4.08Å; L1068-L1117 HydrophobicContact CD2-CD2 4.12Å
1069	N	91.4	Very high	83.3	Confident	11 Å²	11	36.4 Å²	36.4	6%	0.059	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	94	-176.7	-177	-31.6	0	0	0	110.4	L1067 E1071 T1072 G1073 Y1074	L1067-N1069 HydrophobicContact CG-CB 4.22Å; L1067-N1069 PolarHBondContact O-N 3.33Å; N1069-E1071 VanDerWaalsContact C-N 3.34Å; N1069-E1071 PolarHBondContact O-N 3Å; N1069-E1071 WeakPolarHBondContact OD1-CB 3.43Å; N1069-E1071 PolarHBondContact OD1-N 3.14Å; N1069-T1072 PolarHBondContact O-N 2.9Å; N1069-T1072 PolarHBondContact O-OG1 3.12Å; N1069-T1072 VanDerWaalsContact O-OG1 3.14Å; N1069-T1072 WeakPolarHBondContact OD1-CG2 3.4Å; N1069-T1072 PolarHBondContact OD1-N 2.84Å; N1069-T1072 PolarHBondContact OD1-OG1 3.07Å; N1069-G1073 PolarHBondContact O-N 2.86Å; N1069-Y1074 PolarHBondContact N-O 2.94Å; N1069-Y1074 PolarHBondContact O-N 3.12Å; N1069-Y1074 VanDerWaalsContact O-N 3.08Å
1070	F	88.8	Confident	84.3	Confident	10 Å²	10	33 Å²	33	4%	0.044	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-22	-176.9	-58.5	-77.9	0	0	0	113.6	L1040 T1044 K1045 V1047 L1068 T1072 G1073 I1094 P1098 I1101	L1040-F1070 HydrophobicContact CD2-CE2 3.61Å; L1040-F1070 HydrophobicContact CD2-CZ 3.57Å; T1044-F1070 HydrophobicContact CG2-CD2 4.27Å; T1044-F1070 HydrophobicContact CG2-CE2 4.2Å; T1044-F1070 WeakPolarHBondContact O-CD2 3.07Å; K1045-F1070 PolarHBondContact O-N 3.41Å; V1047-F1070 HydrophobicContact CG2-CE2 4.17Å; L1068-F1070 HydrophobicContact CB-CE2 4.06Å; L1068-F1070 HydrophobicContact CB-CZ 4.1Å; L1068-F1070 HydrophobicContact CD2-CZ 4.03Å; F1070-T1072 VanDerWaalsContact C-N 3.29Å; F1070-T1072 PolarHBondContact O-N 3.45Å; F1070-G1073 PolarHBondContact O-N 3.27Å; F1070-I1094 HydrophobicContact CD1-CD1 4.19Å; F1070-I1094 HydrophobicContact CD1-CG2 4.4Å; F1070-I1094 HydrophobicContact CE1-CD1 4.08Å; F1070-I1094 HydrophobicContact CE1-CG2 4.03Å; F1070-P1098 HydrophobicContact CB-CG 3.88Å; F1070-P1098 HydrophobicContact CD1-CB 4.45Å; F1070-P1098 HydrophobicContact CD1-CG 3.67Å; F1070-P1098 HydrophobicContact CD2-CG 4.1Å; F1070-P1098 HydrophobicContact CE1-CB 4.49Å; F1070-P1098 HydrophobicContact CE1-CG 4.16Å; F1070-P1098 HydrophobicContact CG-CB 4.49Å; F1070-P1098 HydrophobicContact CG-CG 3.63Å; F1070-I1101 HydrophobicContact CE1-CD1 3.68Å; F1070-I1101 HydrophobicContact CZ-CD1 3.74Å
1071	E	86.8	Confident	84.6	Confident	103 Å²	103	30.1 Å²	30.1	48%	0.481	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-39.7	170.6	-55.7	177.2	125	0	0	111.2	K1045 R1046 N1069	K1045-E1071 HydrophobicContact CB-CG 3.74Å; K1045-E1071 HydrophobicContact CG-CG 3.87Å; R1046-E1071 IonicContact CZ-OE2 3.27Å; R1046-E1071 IonicContact NE-OE2 3.91Å; R1046-E1071 PolarHBondContact NE-OE2 2.83Å; R1046-E1071 IonicContact NH2-OE2 2.62Å; R1046-E1071 PolarHBondContact NH2-OE2 2.9Å; N1069-E1071 VanDerWaalsContact C-N 3.34Å; N1069-E1071 PolarHBondContact O-N 3Å; N1069-E1071 WeakPolarHBondContact OD1-CB 3.43Å; N1069-E1071 PolarHBondContact OD1-N 3.14Å
1072	T	87.3	Confident	84.2	Confident	72 Å²	72	31.4 Å²	31.4	44%	0.442	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-17.3	178.3	67.3	0	0	0	0	113.6	N1069 F1070 Y1074	N1069-T1072 PolarHBondContact O-N 2.9Å; N1069-T1072 PolarHBondContact O-OG1 3.12Å; N1069-T1072 VanDerWaalsContact O-OG1 3.14Å; N1069-T1072 WeakPolarHBondContact OD1-CG2 3.4Å; N1069-T1072 PolarHBondContact OD1-N 2.84Å; N1069-T1072 PolarHBondContact OD1-OG1 3.07Å; F1070-T1072 VanDerWaalsContact C-N 3.29Å; F1070-T1072 PolarHBondContact O-N 3.45Å; T1072-Y1074 WeakPolarHBondContact O-CD2 3.43Å; T1072-Y1074 WeakPolarHBondContact O-CE2 3.15Å
1073	G	85.3	Confident	83.4	Confident	12 Å²	12	38 Å²	38	12%	0.124	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	26.3	-175	0	0	0	0	0	114.3	N1069 F1070 E1093 I1094	N1069-G1073 PolarHBondContact O-N 2.86Å; F1070-G1073 PolarHBondContact O-N 3.27Å; G1073-E1093 WeakPolarHBondContact O-CA 3.4Å; G1073-I1094 PolarHBondContact O-N 3.25Å
1074	Y	87.8	Confident	82	Confident	77 Å²	77	43 Å²	43	30%	0.302	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	141.3	-176	-67.6	-76	0	0	0	113.4	N1069 T1072 K1091 E1092 E1093 I1094	N1069-Y1074 PolarHBondContact N-O 2.94Å; N1069-Y1074 PolarHBondContact O-N 3.12Å; N1069-Y1074 VanDerWaalsContact O-N 3.08Å; T1072-Y1074 WeakPolarHBondContact O-CD2 3.43Å; T1072-Y1074 WeakPolarHBondContact O-CE2 3.15Å; Y1074-K1091 HydrophobicContact CD1-CD 4.18Å; Y1074-K1091 HydrophobicContact CD1-CG 3.71Å; Y1074-K1091 HydrophobicContact CE1-CG 4.39Å; Y1074-K1091 HydrophobicContact CG-CD 4.26Å; Y1074-K1091 HydrophobicContact CG-CG 3.99Å; Y1074-E1092 CarbonylContact C-O 3.51Å; Y1074-E1092 VanDerWaalsContact CA-O 3.26Å; Y1074-E1092 WeakPolarHBondContact CA-O 3.31Å; Y1074-E1092 WeakPolarHBondContact CD1-O 3.37Å; Y1074-E1093 HydrophobicContact CD1-CB 4.45Å; Y1074-E1093 HydrophobicContact CE1-CB 4.23Å; Y1074-I1094 VanDerWaalsContact C-CD1 3.48Å
1075	L	87.9	Confident	80.7	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	124.6	159.8	-172.7	152.9	0	0	0	107.2	I1066 L1068 I1077 K1091 E1092 I1094 V1115 Y1125	I1066-L1075 HydrophobicContact CG2-CD2 4.36Å; L1068-L1075 HydrophobicContact CD1-CD1 4.2Å; L1068-L1075 HydrophobicContact CG-CD1 4.12Å; L1068-L1075 HydrophobicContact CG-CG 4.41Å; L1075-I1077 HydrophobicContact CD2-CD1 3.85Å; L1075-I1077 HydrophobicContact CD2-CG1 3.87Å; L1075-K1091 WeakPolarHBondContact O-CA 3.43Å; L1075-E1092 PolarHBondContact N-O 2.82Å; L1075-E1092 PolarHBondContact O-N 3.38Å; L1075-I1094 HydrophobicContact CB-CD1 4.25Å; L1075-I1094 HydrophobicContact CB-CG1 4.01Å; L1075-V1115 HydrophobicContact CD1-CG1 3.97Å; L1075-Y1125 HydrophobicContact CD2-CE2 3.93Å
1076	I	87.5	Confident	79.6	Confident	23 Å²	23	48.5 Å²	48.5	12%	0.118	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.2	-177.6	-69	172	0	0	0	108	L1067 Q1088 K1091	L1067-I1076 HydrophobicContact CB-CB 4.31Å; L1067-I1076 PolarHBondContact N-O 3.21Å; L1067-I1076 PolarHBondContact O-N 3.26Å; I1076-Q1088 HydrophobicContact CG2-CG 4.39Å; I1076-K1091 HydrophobicContact CG1-CG 4.28Å
1077	I	86.9	Confident	78.5	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.2	169.6	-67.1	167.1	0	0	0	108.6	M1064 Q1065 I1066 L1075 Y1089 A1090 L1113 Y1125 F1127	M1064-I1077 HydrophobicContact CE-CD1 4.42Å; M1064-I1077 HydrophobicContact CE-CG2 3.33Å; M1064-I1077 HydrophobicContact SD-CG2 3.9Å; Q1065-I1077 WeakPolarHBondContact O-CA 3.37Å; I1066-I1077 HydrophobicContact CB-CG1 4.37Å; I1066-I1077 HydrophobicContact CG1-CG1 4.26Å; I1066-I1077 HydrophobicContact CG2-CD1 4.43Å; I1066-I1077 HydrophobicContact CG2-CG1 4.01Å; L1075-I1077 HydrophobicContact CD2-CD1 3.85Å; L1075-I1077 HydrophobicContact CD2-CG1 3.87Å; I1077-Y1089 PolarHBondContact O-N 3.3Å; I1077-A1090 HydrophobicContact CB-CB 4.26Å; I1077-A1090 PolarHBondContact N-O 2.94Å; I1077-A1090 PolarHBondContact O-N 3Å; I1077-L1113 HydrophobicContact CD1-CD2 4Å; I1077-Y1125 HydrophobicContact CD1-CD2 3.65Å; I1077-Y1125 HydrophobicContact CD1-CE2 3.59Å; I1077-F1127 HydrophobicContact CB-CE2 4.46Å; I1077-F1127 HydrophobicContact CB-CZ 3.85Å; I1077-F1127 HydrophobicContact CD1-CE2 3.69Å; I1077-F1127 HydrophobicContact CD1-CZ 3.6Å; I1077-F1127 HydrophobicContact CG1-CZ 4.32Å; I1077-F1127 HydrophobicContact CG2-CE1 4.07Å; I1077-F1127 HydrophobicContact CG2-CE2 3.85Å; I1077-F1127 HydrophobicContact CG2-CZ 3.53Å
1078	Q	86.2	Confident	77.4	Confident	28 Å²	28	56 Å²	56	13%	0.131	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	145.7	-176.4	62.5	-178.4	-7.3	0	0	111.5	Q1065 I1080 N1086 I1087 Q1088	Q1065-Q1078 HydrophobicContact CB-CG 4.16Å; Q1065-Q1078 PolarHBondContact N-O 2.9Å; Q1065-Q1078 PolarHBondContact O-N 2.96Å; Q1078-I1080 HydrophobicContact CG-CG1 4.37Å; Q1078-N1086 PolarHBondContact OE1-ND2 2.86Å; Q1078-I1087 CarbonylContact C-O 3.5Å; Q1078-I1087 WeakPolarHBondContact CA-O 3.01Å; Q1078-Q1088 HydrophobicContact CB-CB 4.5Å
1079	E	82.6	Confident	76.5	Confident	29 Å²	29	59.9 Å²	59.9	14%	0.136	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	141.3	161.6	175.4	173	134.6	0	0	110.4	V1062 S1063 N1086 I1087 Y1089	V1062-E1079 VanDerWaalsContact CG1-CD 3.5Å; V1062-E1079 HydrophobicContact CG1-CG 3.69Å; V1062-E1079 WeakPolarHBondContact CG1-OE1 3.28Å; S1063-E1079 WeakPolarHBondContact O-CA 3.38Å; E1079-N1086 VanDerWaalsContact O-CA 3.29Å; E1079-N1086 WeakPolarHBondContact O-CA 3.14Å; E1079-I1087 HydrophobicContact CB-CB 4.47Å; E1079-I1087 PolarHBondContact N-O 3Å; E1079-I1087 PolarHBondContact O-N 2.81Å; E1079-Y1089 HydrophobicContact CB-CE2 3.69Å; E1079-Y1089 PolarHBondContact OE2-OH 3.37Å
1080	I	77.5	Confident	75.8	Confident	44 Å²	44	59.9 Å²	59.9	23%	0.226	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	96.1	172.4	-58.1	-179.8	0	0	0	107.3	S1063 Q1065 Q1078	S1063-I1080 PolarHBondContact N-O 2.88Å; S1063-I1080 PolarHBondContact O-N 3.36Å; Q1065-I1080 HydrophobicContact CB-CD1 3.85Å; Q1065-I1080 HydrophobicContact CB-CG1 4.34Å; Q1065-I1080 HydrophobicContact CG-CD1 4.35Å; Q1065-I1080 VanDerWaalsContact NE2-CD1 3.34Å; Q1078-I1080 HydrophobicContact CG-CG1 4.37Å
1081	A	71.7	Confident	75.6	Confident	33 Å²	33	64.3 Å²	64.3	27%	0.273	34%	0.34	S	S	.	.			trans	-88.8	155.8	159.5	0	0	0	0	0	109.4	E1083	A1081-E1083 PolarHBondContact O-N 3.12Å
1082	K	58.8	Low	75.4	Confident	129 Å²	129	64.3 Å²	64.3	56%	0.561	34%	0.34	S	S	*	.	S	Bend	trans	-64	-27.2	176.2	-89.9	-176.7	162.4	-174.1	0	113.1	N620 A1084	N620-K1082 PolarHBondContact OD1-NZ 3.23Å; K1082-A1084 PolarHBondContact O-N 2.84Å
1083	E	58.1	Low	75.2	Confident	155 Å²	155	66.3 Å²	66.3	72%	0.724	35%	0.345	S	S	*	.	S	Bend	trans	-90.3	82.8	-173.7	-60.6	-152.7	130.8	0	0	113.4	A1081 S1085	A1081-E1083 PolarHBondContact O-N 3.12Å; E1083-S1085 VanDerWaalsContact C-N 3.27Å; E1083-S1085 PolarHBondContact O-N 2.9Å
1084	A	51.4	Low	75.1	Confident	110 Å²	110	66 Å²	66	91%	0.909	34%	0.34	S	S	*	.	S	Bend	trans	61.2	-8.4	150.4	0	0	0	0	0	120.9	K1082	K1082-A1084 PolarHBondContact O-N 2.84Å
1085	S	58.8	Low	74.7	Confident	76 Å²	76	66.2 Å²	66.2	53%	0.531	35%	0.349	S	S	.	.			trans	-137.8	106.3	173.9	62.1	0	0	0	0	113.4	E1083 I1087	E1083-S1085 VanDerWaalsContact C-N 3.27Å; E1083-S1085 PolarHBondContact O-N 2.9Å; S1085-I1087 PolarHBondContact O-N 2.93Å
1086	N	65.2	Low	74.3	Confident	87 Å²	87	67.3 Å²	67.3	47%	0.465	35%	0.354	S	S	.	.			trans	-63.6	118.3	164.1	-70.6	25.2	0	0	0	109.1	Q1078 E1079 Q1088	Q1078-N1086 PolarHBondContact OE1-ND2 2.86Å; E1079-N1086 VanDerWaalsContact O-CA 3.29Å; E1079-N1086 WeakPolarHBondContact O-CA 3.14Å; N1086-Q1088 PolarHBondContact O-N 3.47Å
1087	I	66.6	Low	74	Confident	78 Å²	78	67.8 Å²	67.8	40%	0.4	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	99.6	176.5	-55.8	179	0	0	0	107.8	Q1078 E1079 S1085 Y1089	Q1078-I1087 CarbonylContact C-O 3.5Å; Q1078-I1087 WeakPolarHBondContact CA-O 3.01Å; E1079-I1087 HydrophobicContact CB-CB 4.47Å; E1079-I1087 PolarHBondContact N-O 3Å; E1079-I1087 PolarHBondContact O-N 2.81Å; S1085-I1087 PolarHBondContact O-N 2.93Å; I1087-Y1089 HydrophobicContact CB-CE1 4.36Å; I1087-Y1089 HydrophobicContact CG2-CD1 3.92Å; I1087-Y1089 HydrophobicContact CG2-CE1 3.43Å; I1087-Y1089 VanDerWaalsContact CG2-CE1 3.43Å; I1087-Y1089 HydrophobicContact CG2-CE2 4.36Å; I1087-Y1089 PolarHBondContact O-N 2.85Å
1088	Q	68.7	Low	73.9	Confident	98 Å²	98	68 Å²	68	46%	0.458	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	106.7	173.1	179.7	168	19.4	0	0	110.1	I1076 Q1078 N1086 A1090	I1076-Q1088 HydrophobicContact CG2-CG 4.39Å; Q1078-Q1088 HydrophobicContact CB-CB 4.5Å; N1086-Q1088 PolarHBondContact O-N 3.47Å; Q1088-A1090 PolarHBondContact NE2-O 3.25Å
1089	Y	71.4	Confident	73.8	Confident	81 Å²	81	70.4 Å²	70.4	32%	0.318	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-33.8	176.8	-62.1	-65.3	0	0	0	113.2	I1077 E1079 I1087 F1127 Y1130	I1077-Y1089 PolarHBondContact O-N 3.3Å; E1079-Y1089 HydrophobicContact CB-CE2 3.69Å; E1079-Y1089 PolarHBondContact OE2-OH 3.37Å; I1087-Y1089 HydrophobicContact CB-CE1 4.36Å; I1087-Y1089 HydrophobicContact CG2-CD1 3.92Å; I1087-Y1089 HydrophobicContact CG2-CE1 3.43Å; I1087-Y1089 VanDerWaalsContact CG2-CE1 3.43Å; I1087-Y1089 HydrophobicContact CG2-CE2 4.36Å; I1087-Y1089 PolarHBondContact O-N 2.85Å; Y1089-F1127 VanDerWaalsContact CB-CE1 3.43Å; Y1089-F1127 HydrophobicContact CD2-CD1 4.44Å; Y1089-F1127 HydrophobicContact CG-CD1 4.14Å; Y1089-F1127 HydrophobicContact CG-CE1 4.33Å; Y1089-Y1130 HydrophobicContact CE1-CE2 4.22Å; Y1089-Y1130 WeakPolarHBondContact OH-CE2 3.33Å
1090	A	76.5	Confident	73.8	Confident	11 Å²	11	73.8 Å²	73.8	9%	0.091	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	157.3	-174.2	0	0	0	0	0	115.1	I1077 Q1088 Y1125 F1127	I1077-A1090 HydrophobicContact CB-CB 4.26Å; I1077-A1090 PolarHBondContact N-O 2.94Å; I1077-A1090 PolarHBondContact O-N 3Å; Q1088-A1090 PolarHBondContact NE2-O 3.25Å; A1090-Y1125 HydrophobicContact CB-CD1 3.67Å; A1090-Y1125 HydrophobicContact CB-CE1 3.4Å; A1090-Y1125 HydrophobicContact CB-CE2 4.46Å; A1090-Y1125 HydrophobicContact CB-CG 4.29Å; A1090-F1127 HydrophobicContact CB-CE1 3.98Å; A1090-F1127 HydrophobicContact CB-CZ 3.95Å
1091	K	84.2	Confident	74.1	Confident	104 Å²	104	71.7 Å²	71.7	45%	0.452	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	107.9	175.6	-169.2	176	178.3	177.6	0	111.6	Y1074 L1075 I1076	Y1074-K1091 HydrophobicContact CD1-CD 4.18Å; Y1074-K1091 HydrophobicContact CD1-CG 3.71Å; Y1074-K1091 HydrophobicContact CE1-CG 4.39Å; Y1074-K1091 HydrophobicContact CG-CD 4.26Å; Y1074-K1091 HydrophobicContact CG-CG 3.99Å; L1075-K1091 WeakPolarHBondContact O-CA 3.43Å; I1076-K1091 HydrophobicContact CG1-CG 4.28Å
1092	E	83.6	Confident	74.8	Confident	103 Å²	103	73.4 Å²	73.4	48%	0.481	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	152.9	173.9	-74	-64.4	169	0	0	112.6	Y1074 L1075 I1123 Y1125	Y1074-E1092 CarbonylContact C-O 3.51Å; Y1074-E1092 VanDerWaalsContact CA-O 3.26Å; Y1074-E1092 WeakPolarHBondContact CA-O 3.31Å; Y1074-E1092 WeakPolarHBondContact CD1-O 3.37Å; L1075-E1092 PolarHBondContact N-O 2.82Å; L1075-E1092 PolarHBondContact O-N 3.38Å; E1092-I1123 HydrophobicContact CB-CD1 4.25Å; E1092-I1123 HydrophobicContact CG-CG2 4.17Å; E1092-Y1125 VanDerWaalsContact CB-OH 3.31Å; E1092-Y1125 WeakPolarHBondContact CB-OH 3.46Å; E1092-Y1125 HydrophobicContact CG-CE1 3.88Å; E1092-Y1125 VanDerWaalsContact CG-OH 3.28Å; E1092-Y1125 WeakPolarHBondContact CG-OH 3.49Å
1093	E	83.4	Confident	76.2	Confident	114 Å²	114	69.8 Å²	69.8	53%	0.533	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	125.4	-177.7	-172.3	176.8	160.5	0	0	111.1	G1073 Y1074 T1095	G1073-E1093 WeakPolarHBondContact O-CA 3.4Å; Y1074-E1093 HydrophobicContact CD1-CB 4.45Å; Y1074-E1093 HydrophobicContact CE1-CB 4.23Å; E1093-T1095 PolarHBondContact O-N 3.41Å
1094	I	83.2	Confident	77.7	Confident	5 Å²	5	62.5 Å²	62.5	3%	0.026	33%	0.333	C	S	.	.			trans	-78.8	110.5	175.6	-57	172.1	0	0	0	108.8	R741 L1068 F1070 G1073 Y1074 L1075	R741-I1094 PolarHBondContact NH2-O 3.45Å; L1068-I1094 HydrophobicContact CB-CD1 4.03Å; L1068-I1094 HydrophobicContact CG-CD1 4.33Å; F1070-I1094 HydrophobicContact CD1-CD1 4.19Å; F1070-I1094 HydrophobicContact CD1-CG2 4.4Å; F1070-I1094 HydrophobicContact CE1-CD1 4.08Å; F1070-I1094 HydrophobicContact CE1-CG2 4.03Å; G1073-I1094 PolarHBondContact O-N 3.25Å; Y1074-I1094 VanDerWaalsContact C-CD1 3.48Å; L1075-I1094 HydrophobicContact CB-CD1 4.25Å; L1075-I1094 HydrophobicContact CB-CG1 4.01Å
1095	T	79.4	Confident	79.5	Confident	81 Å²	81	58.3 Å²	58.3	50%	0.497	30%	0.295	S	S	.	.			trans	-67.6	-41.1	179.5	64.5	0	0	0	0	111.8	E1093 E1121	E1093-T1095 PolarHBondContact O-N 3.41Å; T1095-E1121 WeakPolarHBondContact CB-OE1 3.36Å; T1095-E1121 WeakPolarHBondContact CG2-OE1 3.47Å; T1095-E1121 PolarHBondContact OG1-OE1 3.09Å; T1095-E1121 PolarHBondContact OG1-OE2 3.27Å; T1095-E1121 VanDerWaalsContact OG1-OE2 3.07Å
1096	Y	78.3	Confident	80.9	Confident	25 Å²	25	54.7 Å²	54.7	10%	0.098	27%	0.269	C	S	.	.	S	Bend	trans	-66.6	156.9	-179.2	-65.4	-73.7	0	0	0	114.1	Q1100 I1101 L1117 E1121	Y1096-Q1100 HydrophobicContact CD1-CB 4.06Å; Y1096-I1101 HydrophobicContact CG-CG1 4.23Å; Y1096-L1117 HydrophobicContact CD2-CB 4.16Å; Y1096-L1117 HydrophobicContact CD2-CD1 4.18Å; Y1096-L1117 HydrophobicContact CE2-CB 3.92Å; Y1096-E1121 HydrophobicContact CE2-CB 4.23Å; Y1096-E1121 VanDerWaalsContact CE2-CD 3.49Å; Y1096-E1121 HydrophobicContact CE2-CG 3.74Å; Y1096-E1121 VanDerWaalsContact CE2-OE2 3.23Å; Y1096-E1121 WeakPolarHBondContact CE2-OE2 3.3Å
1097	I	81.5	Confident	81.8	Confident	32 Å²	32	51.8 Å²	51.8	16%	0.164	25%	0.253	C	S	.	.			trans	-89	144.4	161.6	-62	174.7	0	0	0	107.4	Y738 E1099 Q1100	Y738-I1097 HydrophobicContact CD2-CD1 4.15Å; I1097-E1099 VanDerWaalsContact C-N 3.29Å; I1097-E1099 PolarHBondContact O-N 2.77Å; I1097-E1099 VanDerWaalsContact O-N 3.16Å; I1097-Q1100 HydrophobicContact CB-CG 4.21Å; I1097-Q1100 WeakPolarHBondContact O-CB 3.44Å; I1097-Q1100 PolarHBondContact O-N 2.86Å
1098	P	84.5	Confident	82.4	Confident	5 Å²	5	48.4 Å²	48.4	3%	0.032	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-43	-52	179.9	-30.2	30.9	0	0	0	114.1	L1040 T1041 F1070 Q1100 I1101	L1040-P1098 HydrophobicContact CB-CB 4.04Å; L1040-P1098 VanDerWaalsContact CB-O 3.27Å; L1040-P1098 WeakPolarHBondContact CB-O 3.41Å; L1040-P1098 HydrophobicContact CD2-CB 4.11Å; T1041-P1098 VanDerWaalsContact O-CB 3.26Å; T1041-P1098 WeakPolarHBondContact O-CB 3.48Å; F1070-P1098 HydrophobicContact CB-CG 3.88Å; F1070-P1098 HydrophobicContact CD1-CB 4.45Å; F1070-P1098 HydrophobicContact CD1-CG 3.67Å; F1070-P1098 HydrophobicContact CD2-CG 4.1Å; F1070-P1098 HydrophobicContact CE1-CB 4.49Å; F1070-P1098 HydrophobicContact CE1-CG 4.16Å; F1070-P1098 HydrophobicContact CG-CB 4.49Å; F1070-P1098 HydrophobicContact CG-CG 3.63Å; P1098-Q1100 PolarHBondContact O-N 2.85Å; P1098-I1101 PolarHBondContact O-N 2.98Å
1099	E	84.6	Confident	82.6	Confident	78 Å²	78	50.4 Å²	50.4	36%	0.364	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-58.5	-16.2	-177.7	-57.3	179.8	134.9	0	0	114.9	A1042 I1097	A1042-E1099 HydrophobicContact CB-CG 4.3Å; A1042-E1099 WeakPolarHBondContact CB-OE1 3.37Å; A1042-E1099 VanDerWaalsContact N-CG 3.26Å; A1042-E1099 PolarHBondContact N-OE1 2.88Å; A1042-E1099 VanDerWaalsContact N-OE1 3.16Å; I1097-E1099 VanDerWaalsContact C-N 3.29Å; I1097-E1099 PolarHBondContact O-N 2.77Å; I1097-E1099 VanDerWaalsContact O-N 3.16Å
1100	Q	82.4	Confident	82.4	Confident	100 Å²	100	52.6 Å²	52.6	47%	0.467	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-85.2	-20.9	176.2	-59.5	-178.7	-83.2	0	0	112.3	Y1096 I1097 P1098 C1102 N1118	Y1096-Q1100 HydrophobicContact CD1-CB 4.06Å; I1097-Q1100 HydrophobicContact CB-CG 4.21Å; I1097-Q1100 WeakPolarHBondContact O-CB 3.44Å; I1097-Q1100 PolarHBondContact O-N 2.86Å; P1098-Q1100 PolarHBondContact O-N 2.85Å; Q1100-C1102 PolarHBondContact O-N 2.84Å; Q1100-N1118 PolarHBondContact O-ND2 2.85Å
1101	I	84	Confident	82	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.005	28%	0.275	C	S	.	.			trans	-86.9	108.9	-173.3	-56.8	167.7	0	0	0	109.4	T1038 F1070 Y1096 P1098 M1104 L1117	T1038-I1101 PolarHBondContact OG1-O 3Å; F1070-I1101 HydrophobicContact CE1-CD1 3.68Å; F1070-I1101 HydrophobicContact CZ-CD1 3.74Å; Y1096-I1101 HydrophobicContact CG-CG1 4.23Å; P1098-I1101 PolarHBondContact O-N 2.98Å; I1101-M1104 HydrophobicContact CG2-CE 3.67Å; I1101-M1104 HydrophobicContact CG2-CG 3.79Å; I1101-L1117 HydrophobicContact CD1-CD1 4.23Å; I1101-L1117 HydrophobicContact CG2-CD2 4.4Å
1102	C	85.5	Confident	81.4	Confident	69 Å²	69	52 Å²	52	47%	0.466	26%	0.258	S	S	.	.			trans	-102.9	-38.9	177.1	-63.2	0	0	0	0	111.5	T1038 Q1100 N1118	T1038-C1102 PolarHBondContact N-O 2.9Å; T1038-C1102 WeakPolarHBondContact O-CA 3.17Å; T1038-C1102 VanDerWaalsContact O-O 3.12Å; T1038-C1102 PolarHBondContact OG1-O 2.86Å; Q1100-C1102 PolarHBondContact O-N 2.84Å; C1102-N1118 PolarHBondContact N-OD1 2.83Å
1103	K	88.5	Confident	81.3	Confident	53 Å²	53	47.1 Å²	47.1	23%	0.23	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.4	-179.4	-61	175.5	-175.6	173.4	0	110.5	T829 L1037 N1118	T829-K1103 PolarHBondContact O-NZ 3.27Å; L1037-K1103 HydrophobicContact CD1-CG 4.12Å; K1103-N1118 PolarHBondContact N-OD1 3.44Å; K1103-N1118 PolarHBondContact O-N 2.93Å
1104	M	90	Very high	81.2	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.1	167.2	-51.4	179.9	-171.5	0	0	108.9	L1036 T1038 L1040 V1047 L1068 I1101 F1106 L1116 L1117	L1036-M1104 HydrophobicContact CB-CB 4.33Å; L1036-M1104 PolarHBondContact N-O 3.45Å; L1036-M1104 PolarHBondContact O-N 2.88Å; T1038-M1104 HydrophobicContact CG2-CE 4.44Å; L1040-M1104 HydrophobicContact CD1-CE 3.72Å; L1040-M1104 HydrophobicContact CD2-CE 3.97Å; V1047-M1104 HydrophobicContact CG1-CE 4.49Å; V1047-M1104 HydrophobicContact CG1-SD 4.46Å; V1047-M1104 HydrophobicContact CG2-CE 4.48Å; L1068-M1104 HydrophobicContact CD2-CE 4.04Å; L1068-M1104 HydrophobicContact CD2-SD 4.08Å; I1101-M1104 HydrophobicContact CG2-CE 3.67Å; I1101-M1104 HydrophobicContact CG2-CG 3.79Å; M1104-F1106 HydrophobicContact CB-CE2 3.62Å; M1104-F1106 HydrophobicContact CB-CZ 3.89Å; M1104-F1106 HydrophobicContact SD-CZ 4.38Å; M1104-L1116 WeakPolarHBondContact CA-O 3.37Å; M1104-L1117 HydrophobicContact CB-CD2 4.32Å; M1104-L1117 HydrophobicContact CG-CD2 3.94Å
1105	K	89.1	Confident	81.4	Confident	23 Å²	23	44.9 Å²	44.9	10%	0.1	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	132.3	177.5	174.1	166.7	-163.4	168.7	0	109.8	N831 I1033 L1034 N1035 I1107 L1116	N831-K1105 WeakPolarHBondContact OD1-CD 3.47Å; I1033-K1105 HydrophobicContact CG2-CD 4.47Å; I1033-K1105 VanDerWaalsContact CG2-CE 3.43Å; I1033-K1105 HydrophobicContact CG2-CG 4.39Å; L1034-K1105 WeakPolarHBondContact O-CA 3.12Å; N1035-K1105 WeakPolarHBondContact OD1-CD 3.23Å; N1035-K1105 WeakPolarHBondContact OD1-CE 3.34Å; N1035-K1105 WeakPolarHBondContact OD1-CG 3.35Å; K1105-I1107 HydrophobicContact CD-CD1 4.18Å; K1105-I1107 HydrophobicContact CD-CG1 4.32Å; K1105-I1107 HydrophobicContact CG-CD1 4.22Å; K1105-I1107 HydrophobicContact CG-CG1 3.88Å; K1105-L1116 HydrophobicContact CB-CB 4.06Å; K1105-L1116 HydrophobicContact CB-CD1 4.47Å; K1105-L1116 HydrophobicContact CD-CD1 4.28Å; K1105-L1116 HydrophobicContact CG-CD1 4.25Å; K1105-L1116 PolarHBondContact N-O 2.82Å; K1105-L1116 PolarHBondContact O-N 3.06Å
1106	F	87.9	Confident	81.7	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	115.5	-177.2	-56.9	-87.3	0	0	0	108	I1033 L1034 L1036 I1049 I1066 M1104 L1113 V1115	I1033-F1106 WeakPolarHBondContact CA-O 3.31Å; L1034-F1106 HydrophobicContact CB-CB 4.3Å; L1034-F1106 HydrophobicContact CB-CD2 4.5Å; L1034-F1106 HydrophobicContact CD2-CD2 4.17Å; L1034-F1106 HydrophobicContact CG-CD2 4.38Å; L1034-F1106 PolarHBondContact N-O 3.14Å; L1034-F1106 PolarHBondContact O-N 3.23Å; L1036-F1106 HydrophobicContact CD1-CE2 4Å; L1036-F1106 HydrophobicContact CG-CE2 4.33Å; I1049-F1106 HydrophobicContact CD1-CD2 4.15Å; I1049-F1106 HydrophobicContact CD1-CE1 4.03Å; I1049-F1106 HydrophobicContact CD1-CE2 3.34Å; I1049-F1106 HydrophobicContact CD1-CZ 3.27Å; I1066-F1106 HydrophobicContact CD1-CD1 3.51Å; I1066-F1106 HydrophobicContact CD1-CE1 3.82Å; I1066-F1106 HydrophobicContact CD1-CG 4.32Å; I1066-F1106 HydrophobicContact CG2-CE1 4.14Å; M1104-F1106 HydrophobicContact CB-CE2 3.62Å; M1104-F1106 HydrophobicContact CB-CZ 3.89Å; M1104-F1106 HydrophobicContact SD-CZ 4.38Å; F1106-L1113 HydrophobicContact CB-CD1 4.11Å; F1106-V1115 HydrophobicContact CD1-CB 4.43Å; F1106-V1115 HydrophobicContact CD1-CG1 3.95Å; F1106-V1115 HydrophobicContact CD1-CG2 4.01Å; F1106-V1115 HydrophobicContact CE1-CB 4.49Å; F1106-V1115 HydrophobicContact CE1-CG1 3.6Å; F1106-V1115 HydrophobicContact CE1-CG2 4.22Å; F1106-V1115 HydrophobicContact CZ-CG1 4.42Å
1107	I	84.4	Confident	82	Confident	25 Å²	25	41 Å²	41	13%	0.128	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	122.4	-174.8	-50.9	179.6	0	0	0	108.9	I1033 K1105 L1113 K1114 L1116	I1033-I1107 HydrophobicContact CD1-CG1 4.44Å; I1033-I1107 HydrophobicContact CD1-CG2 4.43Å; I1033-I1107 HydrophobicContact CG1-CB 4.38Å; I1033-I1107 HydrophobicContact CG1-CG1 4.12Å; I1033-I1107 HydrophobicContact CG1-CG2 4.02Å; K1105-I1107 HydrophobicContact CD-CD1 4.18Å; K1105-I1107 HydrophobicContact CD-CG1 4.32Å; K1105-I1107 HydrophobicContact CG-CD1 4.22Å; K1105-I1107 HydrophobicContact CG-CG1 3.88Å; I1107-L1113 WeakPolarHBondContact O-CA 3.22Å; I1107-K1114 HydrophobicContact CB-CB 4.31Å; I1107-K1114 PolarHBondContact N-O 2.98Å; I1107-K1114 PolarHBondContact O-N 3.39Å; I1107-L1116 HydrophobicContact CD1-CD1 3.73Å; I1107-L1116 HydrophobicContact CG1-CD1 4.47Å
1108	W	80	Confident	81.8	Confident	8 Å²	8	40.5 Å²	40.5	3%	0.03	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	121.4	172.1	-68.6	92.6	0	0	0	110.2	N1032 Y1051 M1064 S1112 L1113 L1133	N1032-W1108 WeakPolarHBondContact CB-O 3.48Å; N1032-W1108 PolarHBondContact O-N 2.96Å; Y1051-W1108 HydrophobicContact CD1-CZ2 4.39Å; Y1051-W1108 AromaticContact CD1-NE1 3.9Å; Y1051-W1108 HydrophobicContact CD2-CZ2 4.34Å; Y1051-W1108 AromaticContact CE1-NE1 3.3Å; Y1051-W1108 VanDerWaalsContact CE1-NE1 3.3Å; Y1051-W1108 HydrophobicContact CE2-CZ2 4.5Å; Y1051-W1108 HydrophobicContact CG-CZ2 4.3Å; Y1051-W1108 AromaticContact CZ-NE1 3.4Å; M1064-W1108 HydrophobicContact CE-CH2 3.65Å; M1064-W1108 HydrophobicContact CE-CZ2 3.88Å; M1064-W1108 HydrophobicContact CG-CH2 4.19Å; M1064-W1108 HydrophobicContact SD-CH2 4.37Å; M1064-W1108 HydrophobicContact SD-CZ2 4.36Å; W1108-S1112 WeakPolarHBondContact CA-O 3.49Å; W1108-L1113 HydrophobicContact CD2-CB 4.45Å; W1108-L1113 HydrophobicContact CD2-CD1 4.3Å; W1108-L1113 HydrophobicContact CE3-CB 4.27Å; W1108-L1113 HydrophobicContact CG-CD1 4.44Å; W1108-L1113 HydrophobicContact CZ2-CD2 4.37Å; W1108-L1113 HydrophobicContact CZ3-CB 4.37Å; W1108-L1133 HydrophobicContact CB-CD1 4Å; W1108-L1133 HydrophobicContact CB-CD2 4.46Å; W1108-L1133 HydrophobicContact CD2-CD2 4.28Å; W1108-L1133 HydrophobicContact CG-CD2 4.18Å
1109	Y	72.4	Confident	80.7	Confident	140 Å²	140	42.2 Å²	42.2	55%	0.549	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	132.3	179.9	179.5	-89.6	0	0	0	110	N1111 S1112	Y1109-N1111 PolarHBondContact O-N 2.99Å; Y1109-S1112 PolarHBondContact N-O 3.48Å; Y1109-S1112 WeakPolarHBondContact O-CA 3.34Å; Y1109-S1112 WeakPolarHBondContact O-CB 2.87Å; Y1109-S1112 PolarHBondContact O-N 2.9Å; Y1109-S1112 PolarHBondContact O-OG 3.09Å
1110	D	67.5	Low	79.4	Confident	126 Å²	126	45.6 Å²	45.6	67%	0.674	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	41.7	52.6	176.9	-75.6	1.9	0	0	0	115.4	S1112	D1110-S1112 PolarHBondContact O-N 2.88Å
1111	N	66.6	Low	78.3	Confident	89 Å²	89	43.3 Å²	43.3	48%	0.476	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	34.7	-176.5	-49.1	-35.6	0	0	0	112.8	Y1109 F1127 Q1129	Y1109-N1111 PolarHBondContact O-N 2.99Å; N1111-F1127 CarbonylContact C-O 3.49Å; N1111-F1127 CarbonylContact O-C 3.56Å; N1111-F1127 PolarHBondContact O-N 3.13Å; N1111-Q1129 HydrophobicContact CB-CB 4.04Å; N1111-Q1129 WeakPolarHBondContact OD1-CB 3.33Å
1112	S	73.2	Confident	77	Confident	14 Å²	14	46.8 Å²	46.8	10%	0.098	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	144	170.6	77.6	0	0	0	0	110.5	W1108 Y1109 D1110 Y1125	W1108-S1112 WeakPolarHBondContact CA-O 3.49Å; Y1109-S1112 PolarHBondContact N-O 3.48Å; Y1109-S1112 WeakPolarHBondContact O-CA 3.34Å; Y1109-S1112 WeakPolarHBondContact O-CB 2.87Å; Y1109-S1112 PolarHBondContact O-N 2.9Å; Y1109-S1112 PolarHBondContact O-OG 3.09Å; D1110-S1112 PolarHBondContact O-N 2.88Å; S1112-Y1125 CarbonylContact C-O 3.55Å; S1112-Y1125 WeakPolarHBondContact CA-O 3.36Å; S1112-Y1125 WeakPolarHBondContact CB-O 3.14Å
1113	L	80.1	Confident	75.8	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	117.5	168.5	171.3	62.7	0	0	0	108.2	M1064 I1066 I1077 F1106 I1107 W1108 V1115 Y1125 F1127	M1064-L1113 HydrophobicContact CE-CD2 3.4Å; M1064-L1113 VanDerWaalsContact CE-CD2 3.4Å; I1066-L1113 HydrophobicContact CD1-CD2 3.6Å; I1066-L1113 HydrophobicContact CG1-CD2 4.15Å; I1077-L1113 HydrophobicContact CD1-CD2 4Å; F1106-L1113 HydrophobicContact CB-CD1 4.11Å; I1107-L1113 WeakPolarHBondContact O-CA 3.22Å; W1108-L1113 HydrophobicContact CD2-CB 4.45Å; W1108-L1113 HydrophobicContact CD2-CD1 4.3Å; W1108-L1113 HydrophobicContact CE3-CB 4.27Å; W1108-L1113 HydrophobicContact CG-CD1 4.44Å; W1108-L1113 HydrophobicContact CZ2-CD2 4.37Å; W1108-L1113 HydrophobicContact CZ3-CB 4.37Å; L1113-V1115 HydrophobicContact CD2-CG2 4.2Å; L1113-V1115 HydrophobicContact CG-CG2 4.07Å; L1113-Y1125 PolarHBondContact N-O 3.03Å; L1113-Y1125 PolarHBondContact O-N 2.79Å; L1113-F1127 HydrophobicContact CB-CD2 3.91Å; L1113-F1127 HydrophobicContact CB-CE2 3.92Å; L1113-F1127 HydrophobicContact CD2-CE2 4.24Å
1114	K	83	Confident	74.3	Confident	72 Å²	72	48 Å²	48	31%	0.313	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	113.1	171.1	178.2	175.8	-176.8	-177.3	0	108.6	I1107 L1116 I1123 M1124	I1107-K1114 HydrophobicContact CB-CB 4.31Å; I1107-K1114 PolarHBondContact N-O 2.98Å; I1107-K1114 PolarHBondContact O-N 3.39Å; K1114-L1116 HydrophobicContact CG-CG 4.34Å; K1114-I1123 WeakPolarHBondContact CA-O 3.27Å; K1114-M1124 HydrophobicContact CB-CG 4.28Å; K1114-M1124 HydrophobicContact CD-CG 4.25Å; K1114-M1124 HydrophobicContact CD-SD 3.97Å; K1114-M1124 HydrophobicContact CG-CG 4.02Å; K1114-M1124 HydrophobicContact CG-SD 4.37Å
1115	V	86.3	Confident	73.1	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.2	172.8	-173.1	0	0	0	0	108.9	L1075 F1106 L1113 L1117 I1123	L1075-V1115 HydrophobicContact CD1-CG1 3.97Å; F1106-V1115 HydrophobicContact CD1-CB 4.43Å; F1106-V1115 HydrophobicContact CD1-CG1 3.95Å; F1106-V1115 HydrophobicContact CD1-CG2 4.01Å; F1106-V1115 HydrophobicContact CE1-CB 4.49Å; F1106-V1115 HydrophobicContact CE1-CG1 3.6Å; F1106-V1115 HydrophobicContact CE1-CG2 4.22Å; F1106-V1115 HydrophobicContact CZ-CG1 4.42Å; L1113-V1115 HydrophobicContact CD2-CG2 4.2Å; L1113-V1115 HydrophobicContact CG-CG2 4.07Å; V1115-L1117 HydrophobicContact CG1-CD2 4.4Å; V1115-I1123 PolarHBondContact N-O 3.39Å; V1115-I1123 PolarHBondContact O-N 2.81Å
1116	L	85	Confident	71.5	Confident	19 Å²	19	54.3 Å²	54.3	10%	0.099	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	118.1	178.5	-73.7	163.3	0	0	0	110	M1104 K1105 I1107 K1114 E1121	M1104-L1116 WeakPolarHBondContact CA-O 3.37Å; K1105-L1116 HydrophobicContact CB-CB 4.06Å; K1105-L1116 HydrophobicContact CB-CD1 4.47Å; K1105-L1116 HydrophobicContact CD-CD1 4.28Å; K1105-L1116 HydrophobicContact CG-CD1 4.25Å; K1105-L1116 PolarHBondContact N-O 2.82Å; K1105-L1116 PolarHBondContact O-N 3.06Å; I1107-L1116 HydrophobicContact CD1-CD1 3.73Å; I1107-L1116 HydrophobicContact CG1-CD1 4.47Å; K1114-L1116 HydrophobicContact CG-CG 4.34Å; L1116-E1121 WeakPolarHBondContact CA-O 3.29Å
1117	L	85.2	Confident	70.3	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.5	171.3	-57.3	-179.6	0	0	0	108.9	L1068 Y1096 I1101 M1104 V1115 S1119 E1120 E1121	L1068-L1117 HydrophobicContact CD2-CD2 4.12Å; Y1096-L1117 HydrophobicContact CD2-CB 4.16Å; Y1096-L1117 HydrophobicContact CD2-CD1 4.18Å; Y1096-L1117 HydrophobicContact CE2-CB 3.92Å; I1101-L1117 HydrophobicContact CD1-CD1 4.23Å; I1101-L1117 HydrophobicContact CG2-CD2 4.4Å; M1104-L1117 HydrophobicContact CB-CD2 4.32Å; M1104-L1117 HydrophobicContact CG-CD2 3.94Å; V1115-L1117 HydrophobicContact CG1-CD2 4.4Å; L1117-S1119 PolarHBondContact O-N 2.83Å; L1117-E1120 PolarHBondContact O-N 2.78Å; L1117-E1121 PolarHBondContact N-O 2.6Å
1118	N	76.8	Confident	68.9	Low	23 Å²	23	61.1 Å²	61.1	12%	0.123	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	9.8	-177.7	-66.2	-25.3	0	0	0	117.2	T829 Q1100 C1102 K1103	T829-N1118 PolarHBondContact OG1-O 2.9Å; Q1100-N1118 PolarHBondContact O-ND2 2.85Å; C1102-N1118 PolarHBondContact N-OD1 2.83Å; K1103-N1118 PolarHBondContact N-OD1 3.44Å; K1103-N1118 PolarHBondContact O-N 2.93Å
1119	S	62.2	Low	67.7	Low	40 Å²	40	62.7 Å²	62.7	28%	0.28	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	-22.6	-167.9	93	0	0	0	0	117.4	T829 N831 L1117	T829-S1119 WeakPolarHBondContact CB-OG 3.43Å; T829-S1119 WeakPolarHBondContact CG2-OG 3.41Å; T829-S1119 PolarHBondContact OG1-OG 3.28Å; N831-S1119 WeakPolarHBondContact ND2-CB 3.09Å; L1117-S1119 PolarHBondContact O-N 2.83Å
1120	E	58.4	Low	67.1	Low	150 Å²	150	62 Å²	62	70%	0.701	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-12.9	-172.6	-68.9	-167.6	148.6	0	0	115.1	T829 L1117	T829-E1120 HydrophobicContact CG2-CG 4.3Å; L1117-E1120 PolarHBondContact O-N 2.78Å
1121	E	58.5	Low	67	Low	51 Å²	51	59.5 Å²	59.5	24%	0.238	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	108.1	176.5	-70.3	-166.7	153.7	0	0	112.3	T1095 Y1096 L1116 L1117	T1095-E1121 WeakPolarHBondContact CB-OE1 3.36Å; T1095-E1121 WeakPolarHBondContact CG2-OE1 3.47Å; T1095-E1121 PolarHBondContact OG1-OE1 3.09Å; T1095-E1121 PolarHBondContact OG1-OE2 3.27Å; T1095-E1121 VanDerWaalsContact OG1-OE2 3.07Å; Y1096-E1121 HydrophobicContact CE2-CB 4.23Å; Y1096-E1121 VanDerWaalsContact CE2-CD 3.49Å; Y1096-E1121 HydrophobicContact CE2-CG 3.74Å; Y1096-E1121 VanDerWaalsContact CE2-OE2 3.23Å; Y1096-E1121 WeakPolarHBondContact CE2-OE2 3.3Å; L1116-E1121 WeakPolarHBondContact CA-O 3.29Å; L1117-E1121 PolarHBondContact N-O 2.6Å
1122	S	55.8	Low	67.1	Low	75 Å²	75	57.9 Å²	57.9	52%	0.524	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	99.6	169.6	63.7	0	0	0	0	111.2
1123	I	60.4	Low	67.1	Low	34 Å²	34	58.2 Å²	58.2	17%	0.174	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	105	166.8	-47	179.1	0	0	0	107.3	E1092 K1114 V1115 Y1125	E1092-I1123 HydrophobicContact CB-CD1 4.25Å; E1092-I1123 HydrophobicContact CG-CG2 4.17Å; K1114-I1123 WeakPolarHBondContact CA-O 3.27Å; V1115-I1123 PolarHBondContact N-O 3.39Å; V1115-I1123 PolarHBondContact O-N 2.81Å; I1123-Y1125 HydrophobicContact CB-CE2 4.21Å; I1123-Y1125 HydrophobicContact CG2-CD1 4.38Å; I1123-Y1125 HydrophobicContact CG2-CD2 4Å; I1123-Y1125 HydrophobicContact CG2-CE1 3.83Å; I1123-Y1125 HydrophobicContact CG2-CE2 3.42Å; I1123-Y1125 VanDerWaalsContact CG2-CE2 3.42Å; I1123-Y1125 HydrophobicContact CG2-CG 4.48Å
1124	M	58.3	Low	66.5	Low	113 Å²	113	64.1 Å²	64.1	56%	0.557	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	127.5	172.5	-52.5	-149.2	-41.9	0	0	109.9	K1114	K1114-M1124 HydrophobicContact CB-CG 4.28Å; K1114-M1124 HydrophobicContact CD-CG 4.25Å; K1114-M1124 HydrophobicContact CD-SD 3.97Å; K1114-M1124 HydrophobicContact CG-CG 4.02Å; K1114-M1124 HydrophobicContact CG-SD 4.37Å
1125	Y	63.4	Low	66.1	Low	26 Å²	26	63.1 Å²	63.1	10%	0.102	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.9	170.8	-58.8	-75.7	0	0	0	109.5	L1075 I1077 A1090 E1092 S1112 L1113 I1123 F1127	L1075-Y1125 HydrophobicContact CD2-CE2 3.93Å; I1077-Y1125 HydrophobicContact CD1-CD2 3.65Å; I1077-Y1125 HydrophobicContact CD1-CE2 3.59Å; A1090-Y1125 HydrophobicContact CB-CD1 3.67Å; A1090-Y1125 HydrophobicContact CB-CE1 3.4Å; A1090-Y1125 HydrophobicContact CB-CE2 4.46Å; A1090-Y1125 HydrophobicContact CB-CG 4.29Å; E1092-Y1125 VanDerWaalsContact CB-OH 3.31Å; E1092-Y1125 WeakPolarHBondContact CB-OH 3.46Å; E1092-Y1125 HydrophobicContact CG-CE1 3.88Å; E1092-Y1125 VanDerWaalsContact CG-OH 3.28Å; E1092-Y1125 WeakPolarHBondContact CG-OH 3.49Å; S1112-Y1125 CarbonylContact C-O 3.55Å; S1112-Y1125 WeakPolarHBondContact CA-O 3.36Å; S1112-Y1125 WeakPolarHBondContact CB-O 3.14Å; L1113-Y1125 PolarHBondContact N-O 3.03Å; L1113-Y1125 PolarHBondContact O-N 2.79Å; I1123-Y1125 HydrophobicContact CB-CE2 4.21Å; I1123-Y1125 HydrophobicContact CG2-CD1 4.38Å; I1123-Y1125 HydrophobicContact CG2-CD2 4Å; I1123-Y1125 HydrophobicContact CG2-CE1 3.83Å; I1123-Y1125 HydrophobicContact CG2-CE2 3.42Å; I1123-Y1125 VanDerWaalsContact CG2-CE2 3.42Å; I1123-Y1125 HydrophobicContact CG2-CG 4.48Å; Y1125-F1127 HydrophobicContact CD1-CZ 4.26Å; Y1125-F1127 HydrophobicContact CD2-CE2 4.1Å; Y1125-F1127 AromaticContact CD2-CZ 3.92Å; Y1125-F1127 HydrophobicContact CD2-CZ 3.92Å; Y1125-F1127 HydrophobicContact CG-CE1 4.39Å; Y1125-F1127 AromaticContact CG-CE2 3.99Å; Y1125-F1127 HydrophobicContact CG-CE2 3.99Å; Y1125-F1127 AromaticContact CG-CZ 3.6Å; Y1125-F1127 HydrophobicContact CG-CZ 3.6Å; Y1125-F1127 PolarHBondContact O-N 2.73Å
1126	N	56.5	Low	65.7	Low	131 Å²	131	63.6 Å²	63.6	70%	0.701	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	117.5	168.3	-63.9	20.5	0	0	0	107.4
1127	F	62.3	Low	65.4	Low	23 Å²	23	63.5 Å²	63.5	10%	0.101	32%	0.315	C	S	.	.			trans	-116.7	117	174.3	-62.5	-58.6	0	0	0	107.3	M1064 I1077 Y1089 A1090 N1111 L1113 Y1125 Q1129	M1064-F1127 HydrophobicContact CE-CD2 4.21Å; M1064-F1127 HydrophobicContact CE-CE2 4.06Å; I1077-F1127 HydrophobicContact CB-CE2 4.46Å; I1077-F1127 HydrophobicContact CB-CZ 3.85Å; I1077-F1127 HydrophobicContact CD1-CE2 3.69Å; I1077-F1127 HydrophobicContact CD1-CZ 3.6Å; I1077-F1127 HydrophobicContact CG1-CZ 4.32Å; I1077-F1127 HydrophobicContact CG2-CE1 4.07Å; I1077-F1127 HydrophobicContact CG2-CE2 3.85Å; I1077-F1127 HydrophobicContact CG2-CZ 3.53Å; Y1089-F1127 VanDerWaalsContact CB-CE1 3.43Å; Y1089-F1127 HydrophobicContact CD2-CD1 4.44Å; Y1089-F1127 HydrophobicContact CG-CD1 4.14Å; Y1089-F1127 HydrophobicContact CG-CE1 4.33Å; A1090-F1127 HydrophobicContact CB-CE1 3.98Å; A1090-F1127 HydrophobicContact CB-CZ 3.95Å; N1111-F1127 CarbonylContact C-O 3.49Å; N1111-F1127 CarbonylContact O-C 3.56Å; N1111-F1127 PolarHBondContact O-N 3.13Å; L1113-F1127 HydrophobicContact CB-CD2 3.91Å; L1113-F1127 HydrophobicContact CB-CE2 3.92Å; L1113-F1127 HydrophobicContact CD2-CE2 4.24Å; Y1125-F1127 HydrophobicContact CD1-CZ 4.26Å; Y1125-F1127 HydrophobicContact CD2-CE2 4.1Å; Y1125-F1127 AromaticContact CD2-CZ 3.92Å; Y1125-F1127 HydrophobicContact CD2-CZ 3.92Å; Y1125-F1127 HydrophobicContact CG-CE1 4.39Å; Y1125-F1127 AromaticContact CG-CE2 3.99Å; Y1125-F1127 HydrophobicContact CG-CE2 3.99Å; Y1125-F1127 AromaticContact CG-CZ 3.6Å; Y1125-F1127 HydrophobicContact CG-CZ 3.6Å; Y1125-F1127 PolarHBondContact O-N 2.73Å; F1127-Q1129 PolarHBondContact O-N 2.7Å
1128	E	54.8	Low	65.2	Low	145 Å²	145	64.3 Å²	64.3	68%	0.678	32%	0.318	S	S	*	.			trans	-52.4	108	170.9	-68.5	-175.1	170.8	0	0	108.5	Y1130	E1128-Y1130 VanDerWaalsContact C-N 3.29Å; E1128-Y1130 HydrophobicContact CB-CE1 3.9Å; E1128-Y1130 HydrophobicContact CB-CE2 4.36Å; E1128-Y1130 VanDerWaalsContact O-CD2 3.26Å; E1128-Y1130 WeakPolarHBondContact O-CD2 3.32Å; E1128-Y1130 WeakPolarHBondContact O-CE2 3.5Å; E1128-Y1130 PolarHBondContact O-N 3.5Å; E1128-Y1130 PolarHBondContact OE2-OH 2.68Å
1129	Q	56.1	Low	65.7	Low	40 Å²	40	63.2 Å²	63.2	19%	0.187	31%	0.313	C	S	.	.			trans	-81	82.3	-167.4	-174.8	167.5	-1.7	0	0	109.4	N1111 F1127 Y1131	N1111-Q1129 HydrophobicContact CB-CB 4.04Å; N1111-Q1129 WeakPolarHBondContact OD1-CB 3.33Å; F1127-Q1129 PolarHBondContact O-N 2.7Å; Q1129-Y1131 WeakPolarHBondContact CG-O 3.35Å; Q1129-Y1131 PolarHBondContact NE2-O 2.77Å; Q1129-Y1131 PolarHBondContact O-N 2.96Å
1130	Y	58	Low	67	Low	126 Å²	126	65.8 Å²	65.8	49%	0.494	32%	0.316	S	S	.	.	S	Bend	trans	-56.7	-23.5	178.1	-54.3	-60.9	0	0	0	112.7	Y1089 E1128	Y1089-Y1130 HydrophobicContact CE1-CE2 4.22Å; Y1089-Y1130 WeakPolarHBondContact OH-CE2 3.33Å; E1128-Y1130 VanDerWaalsContact C-N 3.29Å; E1128-Y1130 HydrophobicContact CB-CE1 3.9Å; E1128-Y1130 HydrophobicContact CB-CE2 4.36Å; E1128-Y1130 VanDerWaalsContact O-CD2 3.26Å; E1128-Y1130 WeakPolarHBondContact O-CD2 3.32Å; E1128-Y1130 WeakPolarHBondContact O-CE2 3.5Å; E1128-Y1130 PolarHBondContact O-N 3.5Å; E1128-Y1130 PolarHBondContact OE2-OH 2.68Å
1131	Y	67.2	Low	68.6	Low	74 Å²	74	58.6 Å²	58.6	29%	0.29	28%	0.283	S	S	.	.	S	Bend	trans	-127	97.9	177.7	-55.4	-75.6	0	0	0	111.5	Y1053 V1062 Q1129	Y1053-Y1131 WeakPolarHBondContact CE1-O 3.37Å; Y1053-Y1131 HydrophobicContact CG-CG 4.39Å; V1062-Y1131 HydrophobicContact CB-CD2 4.48Å; V1062-Y1131 HydrophobicContact CB-CE2 4.03Å; V1062-Y1131 HydrophobicContact CG1-CD2 4.18Å; V1062-Y1131 HydrophobicContact CG1-CE2 3.66Å; V1062-Y1131 HydrophobicContact CG2-CE1 4.49Å; V1062-Y1131 HydrophobicContact CG2-CE2 4.27Å; Q1129-Y1131 WeakPolarHBondContact CG-O 3.35Å; Q1129-Y1131 PolarHBondContact NE2-O 2.77Å; Q1129-Y1131 PolarHBondContact O-N 2.96Å
1132	P	67	Low	70.2	Confident	54 Å²	54	60 Å²	60	35%	0.351	29%	0.292	S	S	.	.			trans	-51.9	147.8	173.6	-30.6	35.9	0	0	0	113.6	Q1134 F1135	P1132-Q1134 HydrophobicContact CB-CG 4.17Å; P1132-Q1134 PolarHBondContact O-N 2.79Å; P1132-F1135 HydrophobicContact CB-CD2 4.24Å; P1132-F1135 HydrophobicContact CB-CE2 4.19Å; P1132-F1135 HydrophobicContact CG-CD2 4.42Å; P1132-F1135 HydrophobicContact CG-CE2 4.11Å; P1132-F1135 PolarHBondContact O-N 2.87Å
1133	L	73.2	Confident	71.7	Confident	21 Å²	21	57.2 Å²	57.2	11%	0.11	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-56.2	-27.4	-174.7	-65.9	179.8	0	0	0	114.1	S1029 N1032 W1108 F1135 L1136	S1029-L1133 CarbonylContact O-C 3.58Å; N1032-L1133 WeakPolarHBondContact OD1-CD1 3.38Å; W1108-L1133 HydrophobicContact CB-CD1 4Å; W1108-L1133 HydrophobicContact CB-CD2 4.46Å; W1108-L1133 HydrophobicContact CD2-CD2 4.28Å; W1108-L1133 HydrophobicContact CG-CD2 4.18Å; L1133-F1135 PolarHBondContact O-N 3.09Å; L1133-L1136 WeakPolarHBondContact O-CB 3.41Å; L1133-L1136 PolarHBondContact O-N 3.24Å
1134	Q	68.7	Low	72.9	Confident	124 Å²	124	60.4 Å²	60.4	58%	0.579	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-58.2	-13.5	173.9	76.1	-161.6	-8.7	0	0	114.8	S1029 P1132	S1029-Q1134 WeakPolarHBondContact O-CA 3.35Å; S1029-Q1134 PolarHBondContact O-N 3.02Å; P1132-Q1134 HydrophobicContact CB-CG 4.17Å; P1132-Q1134 PolarHBondContact O-N 2.79Å
1135	F	73.9	Confident	74.3	Confident	51 Å²	51	56.1 Å²	56.1	22%	0.224	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-103.1	-1	174.9	-52.8	-50.7	0	0	0	113.4	Y1053 K1054 I1056 P1132 L1133 S1137	Y1053-F1135 CarbonylContact C-O 3.51Å; Y1053-F1135 VanDerWaalsContact CA-O 3.29Å; Y1053-F1135 WeakPolarHBondContact CA-O 3.27Å; K1054-F1135 PolarHBondContact N-O 3.45Å; I1056-F1135 HydrophobicContact CD1-CE1 3.63Å; I1056-F1135 HydrophobicContact CD1-CE2 4.42Å; I1056-F1135 HydrophobicContact CD1-CZ 3.51Å; I1056-F1135 HydrophobicContact CG1-CD1 4.08Å; I1056-F1135 HydrophobicContact CG1-CE1 3.48Å; I1056-F1135 VanDerWaalsContact CG1-CE1 3.48Å; I1056-F1135 HydrophobicContact CG1-CZ 3.88Å; P1132-F1135 HydrophobicContact CB-CD2 4.24Å; P1132-F1135 HydrophobicContact CB-CE2 4.19Å; P1132-F1135 HydrophobicContact CG-CD2 4.42Å; P1132-F1135 HydrophobicContact CG-CE2 4.11Å; P1132-F1135 PolarHBondContact O-N 2.87Å; L1133-F1135 PolarHBondContact O-N 3.09Å; F1135-S1137 PolarHBondContact O-N 2.83Å
1136	L	78.1	Confident	75.4	Confident	12 Å²	12	58.4 Å²	58.4	6%	0.063	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	115.5	175	-178.4	63.7	0	0	0	109	M1024 Y1051 Y1053 L1133 I1139	M1024-L1136 HydrophobicContact CE-CD2 4.36Å; M1024-L1136 HydrophobicContact CG-CB 4.35Å; M1024-L1136 HydrophobicContact CG-CD2 4.12Å; M1024-L1136 HydrophobicContact CG-CG 3.89Å; M1024-L1136 VanDerWaalsContact CG-O 3.23Å; M1024-L1136 WeakPolarHBondContact CG-O 3.41Å; M1024-L1136 HydrophobicContact SD-CD2 3.97Å; M1024-L1136 HydrophobicContact SD-CG 4.31Å; Y1051-L1136 HydrophobicContact CD1-CD1 3.91Å; Y1051-L1136 HydrophobicContact CD1-CD2 3.89Å; Y1051-L1136 HydrophobicContact CE1-CD2 4.41Å; Y1051-L1136 HydrophobicContact CG-CD1 4.36Å; Y1053-L1136 HydrophobicContact CD1-CB 4.12Å; Y1053-L1136 HydrophobicContact CD1-CD1 4.38Å; Y1053-L1136 HydrophobicContact CE1-CB 4.04Å; Y1053-L1136 HydrophobicContact CE1-CD1 4.14Å; L1133-L1136 WeakPolarHBondContact O-CB 3.41Å; L1133-L1136 PolarHBondContact O-N 3.24Å; L1136-I1139 HydrophobicContact CD1-CG1 4.33Å; L1136-I1139 HydrophobicContact CD2-CD1 4.18Å; L1136-I1139 HydrophobicContact CD2-CG1 4.15Å
1137	S	78.3	Confident	76.9	Confident	16 Å²	16	52.2 Å²	52.2	11%	0.112	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-42.2	-178.8	64.5	0	0	0	0	112.3	H1023 M1024 V1052 F1135	H1023-S1137 PolarHBondContact CD2-O 2.65Å; M1024-S1137 PolarHBondContact N-O 3.39Å; M1024-S1137 VanDerWaalsContact N-O 3.08Å; V1052-S1137 PolarHBondContact O-N 2.91Å; V1052-S1137 PolarHBondContact O-OG 3.26Å; F1135-S1137 PolarHBondContact O-N 2.83Å
1138	H	82.4	Confident	78	Confident	21 Å²	21	53.7 Å²	53.7	10%	0.097	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	157.9	178.6	58.1	-72.7	0	0	0	111.7	F968 T1021 L1022 V1052 F1061	F968-H1138 HydrophobicContact CZ-CB 4.32Å; T1021-H1138 HydrophobicContact CG2-CB 4.11Å; L1022-H1138 CarbonylContact O-C 3.58Å; L1022-H1138 WeakPolarHBondContact O-CA 3.29Å; L1022-H1138 WeakPolarHBondContact O-CB 3.22Å; V1052-H1138 WeakPolarHBondContact CB-O 3.39Å; V1052-H1138 WeakPolarHBondContact CG1-NE2 3.22Å; V1052-H1138 PolarHBondContact N-O 3.04Å; V1052-H1138 PolarHBondContact O-N 3.02Å; F1061-H1138 AromaticContact CD1-NE2 3.8Å; F1061-H1138 AromaticContact CE1-NE2 3.71Å
1139	I	86.6	Confident	79.5	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	134.8	171.7	-59.9	164.7	0	0	0	107.9	T1021 L1022 M1024 L1034 I1049 E1050 Y1051 L1136 I1141 L1152	T1021-I1139 WeakPolarHBondContact CA-O 3.23Å; L1022-I1139 PolarHBondContact N-O 2.93Å; L1022-I1139 PolarHBondContact O-N 2.99Å; M1024-I1139 HydrophobicContact SD-CD1 4.35Å; L1034-I1139 HydrophobicContact CD2-CG2 4.22Å; I1049-I1139 HydrophobicContact CG2-CG2 4.01Å; E1050-I1139 CarbonylContact O-C 3.45Å; E1050-I1139 WeakPolarHBondContact O-CA 3.36Å; Y1051-I1139 HydrophobicContact CD1-CD1 3.92Å; Y1051-I1139 HydrophobicContact CD1-CG1 3.73Å; Y1051-I1139 HydrophobicContact CE1-CD1 3.58Å; Y1051-I1139 HydrophobicContact CE1-CG1 3.91Å; Y1051-I1139 HydrophobicContact CG-CG1 4.32Å; L1136-I1139 HydrophobicContact CD1-CG1 4.33Å; L1136-I1139 HydrophobicContact CD2-CD1 4.18Å; L1136-I1139 HydrophobicContact CD2-CG1 4.15Å; I1139-I1141 HydrophobicContact CG2-CG1 4.37Å; I1139-L1152 HydrophobicContact CD1-CD1 4.45Å; I1139-L1152 HydrophobicContact CD1-CD2 3.71Å
1140	R	89	Confident	80.9	Confident	93 Å²	93	48.9 Å²	48.9	35%	0.351	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	140.7	170.6	-51.2	-172.8	-168.7	126.4	-0.4	110.7	L1020 T1021 I1049 E1050	L1020-R1140 CarbonylContact O-C 3.48Å; L1020-R1140 WeakPolarHBondContact O-CA 3.29Å; T1021-R1140 HydrophobicContact CG2-CG 4.25Å; I1049-R1140 CarbonylContact C-O 3.57Å; I1049-R1140 WeakPolarHBondContact CA-O 3.36Å; E1050-R1140 HydrophobicContact CB-CB 4.27Å; E1050-R1140 VanDerWaalsContact CD-NH1 3.31Å; E1050-R1140 PolarHBondContact N-O 2.89Å; E1050-R1140 PolarHBondContact O-N 2.87Å; E1050-R1140 IonicContact OE1-NH1 2.61Å; E1050-R1140 PolarHBondContact OE1-NH1 3.1Å; E1050-R1140 WeakPolarHBondContact OE2-CD 3.3Å; E1050-R1140 IonicContact OE2-CZ 2.71Å; E1050-R1140 IonicContact OE2-NE 3.22Å; E1050-R1140 IonicContact OE2-NH1 2.64Å; E1050-R1140 PolarHBondContact OE2-NH1 2.68Å
1141	I	92	Very high	82.1	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.6	176.8	-57.5	161	0	0	0	107.9	L1018 P1019 L1020 L1022 L1036 I1049 I1139 F1145 L1147 A1150	L1018-I1141 HydrophobicContact CD2-CB 4.45Å; L1018-I1141 HydrophobicContact CD2-CG2 4.02Å; P1019-I1141 WeakPolarHBondContact CA-O 3.45Å; L1020-I1141 HydrophobicContact CB-CB 4.4Å; L1020-I1141 HydrophobicContact CD2-CD1 4.3Å; L1020-I1141 PolarHBondContact N-O 2.92Å; L1020-I1141 PolarHBondContact O-N 2.93Å; L1022-I1141 HydrophobicContact CD1-CD1 4.38Å; L1036-I1141 HydrophobicContact CD1-CD1 4.3Å; L1036-I1141 HydrophobicContact CD2-CD1 3.6Å; I1049-I1141 HydrophobicContact CG1-CG1 4.45Å; I1049-I1141 HydrophobicContact CG2-CG1 4.46Å; I1139-I1141 HydrophobicContact CG2-CG1 4.37Å; I1141-F1145 HydrophobicContact CG2-CE1 4.48Å; I1141-F1145 HydrophobicContact CG2-CZ 3.85Å; I1141-L1147 HydrophobicContact CD1-CD2 4.44Å; I1141-L1147 HydrophobicContact CG2-CD2 4.28Å; I1141-A1150 HydrophobicContact CD1-CB 4.33Å
1142	N	92.1	Very high	82.7	Confident	81 Å²	81	43.6 Å²	43.6	43%	0.433	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	153	-176.3	-162.8	9.2	0	0	0	112.1	P1019 T1048	P1019-N1142 HydrophobicContact CB-CB 4.31Å; T1048-N1142 PolarHBondContact N-O 2.75Å; T1048-N1142 PolarHBondContact O-N 3.14Å
1143	G	88.6	Confident	83	Confident	16 Å²	16	42.5 Å²	42.5	17%	0.165	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.2	177	177.9	0	0	0	0	0	113.7	L1018 R1046 F1145	L1018-G1143 VanDerWaalsContact CD1-O 3.3Å; L1018-G1143 WeakPolarHBondContact CD1-O 3.38Å; R1046-G1143 WeakPolarHBondContact O-CA 3.3Å; G1143-F1145 PolarHBondContact O-N 3.45Å; G1143-F1145 VanDerWaalsContact O-N 3.1Å
1144	D	84.3	Confident	82.7	Confident	100 Å²	100	45.3 Å²	45.3	54%	0.535	23%	0.23	S	C	.	.	S	Bend	trans	-89	63.2	-172.9	-53.1	-37.1	0	0	0	111.4	T1044 R1046	T1044-D1144 WeakPolarHBondContact CA-O 3.3Å; T1044-D1144 WeakPolarHBondContact CB-O 3.3Å; T1044-D1144 WeakPolarHBondContact CG2-O 3.45Å; T1044-D1144 PolarHBondContact OG1-O 3.35Å; R1046-D1144 PolarHBondContact O-N 3.17Å
1145	F	88.9	Confident	82.2	Confident	24 Å²	24	43 Å²	43	11%	0.105	22%	0.221	C	C	.	.	S	Bend	trans	-151.3	164.8	-176.3	72.9	-73.7	0	0	0	113.3	L1018 T1038 L1040 T1044 V1047 I1141 G1143 L1147	L1018-F1145 HydrophobicContact CD1-CD1 3.65Å; L1018-F1145 HydrophobicContact CD1-CE1 3.38Å; L1018-F1145 HydrophobicContact CD1-CE2 4.38Å; L1018-F1145 HydrophobicContact CD1-CG 4.27Å; L1018-F1145 HydrophobicContact CD1-CZ 3.79Å; L1018-F1145 WeakPolarHBondContact CD1-O 2.88Å; L1018-F1145 HydrophobicContact CD2-CZ 4.46Å; T1038-F1145 HydrophobicContact CG2-CD2 4.22Å; T1038-F1145 HydrophobicContact CG2-CE2 3.81Å; L1040-F1145 HydrophobicContact CD1-CB 4.31Å; L1040-F1145 HydrophobicContact CD1-CD2 4.11Å; L1040-F1145 HydrophobicContact CD1-CG 4.5Å; L1040-F1145 HydrophobicContact CG-CB 4.02Å; T1044-F1145 HydrophobicContact CG2-CB 3.96Å; V1047-F1145 HydrophobicContact CB-CD1 4.43Å; V1047-F1145 HydrophobicContact CB-CE1 4.25Å; V1047-F1145 HydrophobicContact CG1-CD1 4.29Å; V1047-F1145 HydrophobicContact CG1-CE1 3.67Å; V1047-F1145 HydrophobicContact CG1-CZ 3.84Å; V1047-F1145 HydrophobicContact CG2-CB 4.5Å; V1047-F1145 HydrophobicContact CG2-CD1 3.62Å; V1047-F1145 HydrophobicContact CG2-CE1 3.9Å; V1047-F1145 HydrophobicContact CG2-CG 4.01Å; I1141-F1145 HydrophobicContact CG2-CE1 4.48Å; I1141-F1145 HydrophobicContact CG2-CZ 3.85Å; G1143-F1145 PolarHBondContact O-N 3.45Å; G1143-F1145 VanDerWaalsContact O-N 3.1Å; F1145-L1147 HydrophobicContact CE2-CB 3.94Å; F1145-L1147 HydrophobicContact CE2-CD1 4.13Å; F1145-L1147 HydrophobicContact CZ-CB 4.45Å
1146	M	85	Confident	80.7	Confident	74 Å²	74	53.3 Å²	53.3	37%	0.365	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	115.6	172	-59.9	-179.9	72.3	0	0	110.4	N1015 T1038 K1039	N1015-M1146 HydrophobicContact CB-CE 4.26Å; T1038-M1146 CarbonylContact C-O 3.46Å; T1038-M1146 WeakPolarHBondContact CA-O 3.13Å; K1039-M1146 HydrophobicContact CB-CB 4.19Å; K1039-M1146 HydrophobicContact CD-SD 4.25Å; K1039-M1146 PolarHBondContact N-O 3.01Å; K1039-M1146 WeakPolarHBondContact O-CB 3.23Å; K1039-M1146 PolarHBondContact O-N 3.26Å
1147	L	88.6	Confident	80.8	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	124.8	168	-176.6	63.6	0	0	0	109.1	N1015 L1016 L1018 L1020 L1036 T1038 I1141 F1145 N1149 A1150	N1015-L1147 CarbonylContact C-O 3.55Å; N1015-L1147 VanDerWaalsContact CA-O 3.3Å; N1015-L1147 WeakPolarHBondContact CA-O 3.35Å; N1015-L1147 VanDerWaalsContact CB-O 3.29Å; N1015-L1147 WeakPolarHBondContact CB-O 3.19Å; L1016-L1147 HydrophobicContact CB-CB 4.36Å; L1016-L1147 HydrophobicContact CB-CD2 4.1Å; L1016-L1147 HydrophobicContact CB-CG 4.18Å; L1016-L1147 HydrophobicContact CD1-CD2 4Å; L1016-L1147 HydrophobicContact CD1-CG 4.12Å; L1016-L1147 PolarHBondContact N-O 2.87Å; L1018-L1147 HydrophobicContact CD2-CB 4.17Å; L1018-L1147 HydrophobicContact CD2-CD2 3.85Å; L1018-L1147 HydrophobicContact CG-CB 4.49Å; L1020-L1147 HydrophobicContact CB-CD2 4.48Å; L1020-L1147 HydrophobicContact CD2-CD2 3.53Å; L1036-L1147 HydrophobicContact CB-CD1 4.17Å; L1036-L1147 HydrophobicContact CD2-CD1 4.27Å; T1038-L1147 HydrophobicContact CG2-CD1 4.02Å; I1141-L1147 HydrophobicContact CD1-CD2 4.44Å; I1141-L1147 HydrophobicContact CG2-CD2 4.28Å; F1145-L1147 HydrophobicContact CE2-CB 3.94Å; F1145-L1147 HydrophobicContact CE2-CD1 4.13Å; F1145-L1147 HydrophobicContact CZ-CB 4.45Å; L1147-N1149 WeakPolarHBondContact CD1-O 3.48Å; L1147-A1150 HydrophobicContact CD2-CB 4.24Å
1148	L	85.6	Confident	80.9	Confident	54 Å²	54	57.5 Å²	57.5	28%	0.283	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-41	-175.5	-58.6	178.2	0	0	0	112.2	R872 N1015 L1037 K1039	R872-L1148 PolarHBondContact NH2-O 2.97Å; N1015-L1148 HydrophobicContact CB-CD2 4.35Å; L1037-L1148 HydrophobicContact CB-CB 4.37Å; L1037-L1148 HydrophobicContact CD2-CB 4.12Å; L1037-L1148 HydrophobicContact CD2-CD1 4.48Å; L1037-L1148 HydrophobicContact CG-CB 4.09Å; L1037-L1148 HydrophobicContact CG-CD1 4.3Å; L1037-L1148 WeakPolarHBondContact O-CA 3.38Å; L1037-L1148 WeakPolarHBondContact O-CB 3.19Å; L1037-L1148 PolarHBondContact O-N 2.81Å; K1039-L1148 HydrophobicContact CB-CD1 4.2Å
1149	N	86.2	Confident	80.9	Confident	64 Å²	64	59.5 Å²	59.5	34%	0.342	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	153.9	170.7	-163.4	32.3	0	0	0	110.7	L1037 L1147	L1037-N1149 HydrophobicContact CB-CB 3.98Å; L1037-N1149 PolarHBondContact N-O 2.84Å; L1037-N1149 PolarHBondContact O-N 3.22Å; L1147-N1149 WeakPolarHBondContact CD1-O 3.48Å
1150	A	85.7	Confident	80.5	Confident	19 Å²	19	62.9 Å²	62.9	16%	0.157	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	127.9	171.3	0	0	0	0	0	109	L1016 L1020 L1022 N1035 L1036 I1141 L1147	L1016-A1150 HydrophobicContact CD1-CB 3.99Å; L1020-A1150 HydrophobicContact CD2-CB 4.06Å; L1022-A1150 HydrophobicContact CD1-CB 4.35Å; N1035-A1150 WeakPolarHBondContact O-CA 3.29Å; L1036-A1150 HydrophobicContact CD2-CB 3.62Å; I1141-A1150 HydrophobicContact CD1-CB 4.33Å; L1147-A1150 HydrophobicContact CD2-CB 4.24Å
1151	E	83.4	Confident	80	Confident	46 Å²	46	61.1 Å²	61.1	22%	0.215	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	139.2	-168.6	-177.6	-173.4	154.7	0	0	110.2	Y833 L1034 N1035 Q1153	Y833-E1151 WeakPolarHBondContact CD1-OE2 3.46Å; Y833-E1151 VanDerWaalsContact CE1-OE2 3.25Å; Y833-E1151 WeakPolarHBondContact CE1-OE2 3.4Å; L1034-E1151 WeakPolarHBondContact CA-O 3.15Å; N1035-E1151 HydrophobicContact CB-CB 4.35Å; N1035-E1151 PolarHBondContact N-O 2.81Å; N1035-E1151 PolarHBondContact O-N 2.82Å; E1151-Q1153 HydrophobicContact CG-CG 4.38Å; E1151-Q1153 WeakPolarHBondContact OE1-CG 3.05Å; E1151-Q1153 PolarHBondContact OE1-NE2 3.13Å
1152	L	78.3	Confident	79.2	Confident	43 Å²	43	65.1 Å²	65.1	23%	0.225	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	117.2	176.9	-75.5	165.1	0	0	0	108.8	L1022 M1024 A1031 I1033 L1034 I1139	L1022-L1152 HydrophobicContact CB-CD1 4.4Å; L1022-L1152 HydrophobicContact CD1-CD1 4.28Å; M1024-L1152 HydrophobicContact CE-CD1 4.18Å; M1024-L1152 HydrophobicContact SD-CD1 4.03Å; A1031-L1152 HydrophobicContact CB-CB 4.48Å; A1031-L1152 HydrophobicContact CB-CD2 4.39Å; I1033-L1152 WeakPolarHBondContact O-CA 3.12Å; L1034-L1152 HydrophobicContact CB-CD2 4.12Å; L1034-L1152 HydrophobicContact CD1-CD2 3.78Å; L1034-L1152 HydrophobicContact CD1-CG 4.18Å; I1139-L1152 HydrophobicContact CD1-CD1 4.45Å; I1139-L1152 HydrophobicContact CD1-CD2 3.71Å
1153	Q	74.8	Confident	78.3	Confident	32 Å²	32	64 Å²	64	15%	0.15	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	145.9	176.6	-72.8	171.7	-12.3	0	0	109.4	V832 N1032 I1033 N1035 E1151	V832-Q1153 PolarHBondContact O-NE2 3.18Å; N1032-Q1153 PolarHBondContact N-O 3.02Å; I1033-Q1153 HydrophobicContact CB-CB 3.86Å; I1033-Q1153 HydrophobicContact CG2-CB 3.95Å; I1033-Q1153 PolarHBondContact N-O 2.74Å; I1033-Q1153 PolarHBondContact O-N 2.93Å; N1035-Q1153 PolarHBondContact ND2-NE2 2.81Å; N1035-Q1153 VanDerWaalsContact ND2-NE2 3.12Å; N1035-Q1153 PolarHBondContact ND2-OE1 2.93Å; E1151-Q1153 HydrophobicContact CG-CG 4.38Å; E1151-Q1153 WeakPolarHBondContact OE1-CG 3.05Å; E1151-Q1153 PolarHBondContact OE1-NE2 3.13Å
1154	L	66.1	Low	77.5	Confident	79 Å²	79	67.7 Å²	67.7	41%	0.414	34%	0.343	S	S	.	.			trans	-79.5	147.8	159.2	-67.9	157.2	0	0	0	107.4	R1030	R1030-L1154 HydrophobicContact CB-CD2 3.8Å; R1030-L1154 WeakPolarHBondContact O-CD2 3.35Å
1155	D	58.5	Low	76.9	Confident	75 Å²	75	65 Å²	65	40%	0.401	33%	0.327	S	S	.	.			trans	-83.3	137.9	151.6	-95.1	-35	0	0	0	105.5	N1032 I1033	N1032-D1155 HydrophobicContact CB-CB 4.27Å; I1033-D1155 VanDerWaalsContact CD1-OD1 3.28Å; I1033-D1155 WeakPolarHBondContact CD1-OD1 3.38Å
1156	E	41.8	Very low	75.8	Confident	269 Å²	269	68.7 Å²	68.7	100%	1.257	35%	0.347	S	S	*	.			trans	-84.8	0	179.5	-61.6	-169.6	134.6	0	0	112.6

Retrieved 1,156 of 1,156 residues in 221.4 ms (Link to these results)

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